Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:57:45 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: ./Sc3InC.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 65 33 9 2379 853 135 Max 66 34 10 2382 873 140 Sum 2361 1201 349 85735 31103 4945 bravais-lattice index = 14 lattice parameter (alat) = 8.5733 a.u. unit-cell volume = 630.1521 (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)= 8.573309 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf 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 1241 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 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. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Sc 11.00 44.95590 Sc( 1.00) C 4.00 12.01070 C( 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= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0037175 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0037175 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0037175 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0037175 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0037175 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0037175 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0037175 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0037175 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0037175 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0037175 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0037175 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0037175 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0037175 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0037175 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0037175 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0037175 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0037175 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0037175 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0037175 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0037175 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0037175 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0037175 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0037175 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0037175 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0037175 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0037175 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0037175 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0037175 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0037175 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0037175 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0037175 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0037175 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0037175 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0037175 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0037175 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0037175 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0037175 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0037175 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0037175 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0037175 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0037175 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0037175 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0037175 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0037175 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0037175 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0037175 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0037175 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0037175 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0037175 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0037175 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0037175 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0037175 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0037175 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0037175 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0037175 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0037175 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0037175 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0037175 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0037175 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0037175 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0037175 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0037175 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0037175 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0037175 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0037175 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0037175 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0037175 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0037175 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0037175 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0037175 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0037175 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0037175 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0037175 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0037175 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0037175 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0037175 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0037175 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0037175 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037175 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0037175 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0037175 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0037175 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0037175 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0037175 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0037175 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0037175 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0037175 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0037175 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0037175 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0037175 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0037175 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0037175 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0037175 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0037175 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0037175 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0037175 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0037175 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0037175 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0037175 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0037175 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0037175 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0037175 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0037175 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0037175 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0037175 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 124) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0037175 k( 125) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0037175 k( 126) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0037175 k( 127) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0037175 k( 128) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037175 k( 129) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0037175 k( 130) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0037175 k( 131) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0037175 k( 132) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0037175 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037175 k( 134) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0037175 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037175 k( 136) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0037175 k( 137) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0037175 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037175 k( 139) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0037175 k( 140) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0037175 k( 141) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0037175 k( 142) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0037175 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037175 k( 144) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0037175 k( 145) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0037175 k( 146) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0037175 k( 147) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037175 k( 148) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037175 k( 149) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0037175 k( 150) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0037175 k( 151) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0037175 k( 152) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0037175 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 154) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0037175 k( 155) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0037175 k( 156) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0037175 k( 157) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0037175 k( 158) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037175 k( 159) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037175 k( 160) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0037175 k( 161) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0037175 k( 162) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0037175 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 164) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0037175 k( 165) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0037175 k( 166) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0037175 k( 167) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0037175 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037175 k( 169) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0037175 k( 170) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0037175 k( 171) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037175 k( 172) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0037175 k( 173) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037175 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0037175 k( 175) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0037175 k( 176) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0037175 k( 177) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0037175 k( 178) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037175 k( 179) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0037175 k( 180) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0037175 k( 181) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0037175 k( 182) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0037175 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 185) = ( 0.4897959 0.5000000 0.4897959), wk = 0.0037175 k( 186) = ( 0.4795918 0.5000000 0.4795918), wk = 0.0037175 k( 187) = ( 0.4693878 0.5000000 0.4693878), wk = 0.0037175 k( 188) = ( 0.4591837 0.5000000 0.4591837), wk = 0.0037175 k( 189) = ( 0.4489796 0.5000000 0.4489796), wk = 0.0037175 k( 190) = ( 0.4387755 0.5000000 0.4387755), wk = 0.0037175 k( 191) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0037175 k( 192) = ( 0.4183674 0.5000000 0.4183673), wk = 0.0037175 k( 193) = ( 0.4081633 0.5000000 0.4081633), wk = 0.0037175 k( 194) = ( 0.3979592 0.5000000 0.3979592), wk = 0.0037175 k( 195) = ( 0.3877551 0.5000000 0.3877551), wk = 0.0037175 k( 196) = ( 0.3775510 0.5000000 0.3775510), wk = 0.0037175 k( 197) = ( 0.3673469 0.5000000 0.3673469), wk = 0.0037175 k( 198) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0037175 k( 199) = ( 0.3469388 0.5000000 0.3469388), wk = 0.0037175 k( 200) = ( 0.3367347 0.5000000 0.3367347), wk = 0.0037175 k( 201) = ( 0.3265306 0.5000000 0.3265306), wk = 0.0037175 k( 202) = ( 0.3163265 0.5000000 0.3163265), wk = 0.0037175 k( 203) = ( 0.3061224 0.5000000 0.3061224), wk = 0.0037175 k( 204) = ( 0.2959184 0.5000000 0.2959184), wk = 0.0037175 k( 205) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0037175 k( 206) = ( 0.2755102 0.5000000 0.2755102), wk = 0.0037175 k( 207) = ( 0.2653061 0.5000000 0.2653061), wk = 0.0037175 k( 208) = ( 0.2551020 0.5000000 0.2551020), wk = 0.0037175 k( 209) = ( 0.2448980 0.5000000 0.2448980), wk = 0.0037175 k( 210) = ( 0.2346939 0.5000000 0.2346939), wk = 0.0037175 k( 211) = ( 0.2244898 0.5000000 0.2244898), wk = 0.0037175 k( 212) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0037175 k( 213) = ( 0.2040816 0.5000000 0.2040816), wk = 0.0037175 k( 214) = ( 0.1938776 0.5000000 0.1938775), wk = 0.0037175 k( 215) = ( 0.1836735 0.5000000 0.1836735), wk = 0.0037175 k( 216) = ( 0.1734694 0.5000000 0.1734694), wk = 0.0037175 k( 217) = ( 0.1632653 0.5000000 0.1632653), wk = 0.0037175 k( 218) = ( 0.1530612 0.5000000 0.1530612), wk = 0.0037175 k( 219) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0037175 k( 220) = ( 0.1326531 0.5000000 0.1326531), wk = 0.0037175 k( 221) = ( 0.1224490 0.5000000 0.1224490), wk = 0.0037175 k( 222) = ( 0.1122449 0.5000000 0.1122449), wk = 0.0037175 k( 223) = ( 0.1020408 0.5000000 0.1020408), wk = 0.0037175 k( 224) = ( 0.0918367 0.5000000 0.0918367), wk = 0.0037175 k( 225) = ( 0.0816327 0.5000000 0.0816326), wk = 0.0037175 k( 226) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0037175 k( 227) = ( 0.0612245 0.5000000 0.0612245), wk = 0.0037175 k( 228) = ( 0.0510204 0.5000000 0.0510204), wk = 0.0037175 k( 229) = ( 0.0408163 0.5000000 0.0408163), wk = 0.0037175 k( 230) = ( 0.0306122 0.5000000 0.0306122), wk = 0.0037175 k( 231) = ( 0.0204082 0.5000000 0.0204082), wk = 0.0037175 k( 232) = ( 0.0102041 0.5000000 0.0102041), wk = 0.0037175 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0037175 k( 260) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0037175 k( 261) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0037175 k( 262) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0037175 k( 263) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0037175 k( 264) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0037175 k( 265) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0037175 k( 266) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0037175 k( 267) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0037175 k( 268) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0037175 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0037175 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0037175 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0037175 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0037175 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0037175 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0037175 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0037175 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0037175 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0037175 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0037175 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0037175 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0037175 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0037175 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0037175 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0037175 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0037175 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0037175 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0037175 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0037175 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0037175 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0037175 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0037175 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0037175 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0037175 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0037175 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0037175 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0037175 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0037175 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0037175 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0037175 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0037175 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0037175 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0037175 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0037175 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0037175 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0037175 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0037175 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0037175 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0037175 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0037175 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0037175 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0037175 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0037175 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0037175 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0037175 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0037175 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0037175 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0037175 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0037175 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0037175 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0037175 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0037175 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0037175 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0037175 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0037175 k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0037175 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0037175 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0037175 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0037175 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0037175 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0037175 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0037175 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0037175 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0037175 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0037175 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0037175 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 74) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0037175 k( 75) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0037175 k( 76) = ( 0.4693878 0.4693878 0.0000000), wk = 0.0037175 k( 77) = ( 0.4591837 0.4591837 0.0000000), wk = 0.0037175 k( 78) = ( 0.4489796 0.4489796 0.0000000), wk = 0.0037175 k( 79) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0037175 k( 80) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0037175 k( 81) = ( 0.4183674 0.4183674 0.0000000), wk = 0.0037175 k( 82) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0037175 k( 83) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0037175 k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0037175 k( 85) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0037175 k( 86) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0037175 k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0037175 k( 88) = ( 0.3469388 0.3469388 0.0000000), wk = 0.0037175 k( 89) = ( 0.3367347 0.3367347 0.0000000), wk = 0.0037175 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0037175 k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0037175 k( 92) = ( 0.3061224 0.3061224 0.0000000), wk = 0.0037175 k( 93) = ( 0.2959184 0.2959184 0.0000000), wk = 0.0037175 k( 94) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0037175 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0037175 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0037175 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0037175 k( 98) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0037175 k( 99) = ( 0.2346939 0.2346939 0.0000000), wk = 0.0037175 k( 100) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0037175 k( 101) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0037175 k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0037175 k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0037175 k( 104) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0037175 k( 105) = ( 0.1734694 0.1734694 0.0000000), wk = 0.0037175 k( 106) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0037175 k( 107) = ( 0.1530612 0.1530612 0.0000000), wk = 0.0037175 k( 108) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0037175 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0037175 k( 110) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0037175 k( 111) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0037175 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0037175 k( 113) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0037175 k( 114) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0037175 k( 115) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0037175 k( 116) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0037175 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0037175 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0037175 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0037175 k( 120) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0037175 k( 121) = ( 0.0102041 0.0102041 0.0000000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 124) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0037175 k( 125) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0037175 k( 126) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0037175 k( 127) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0037175 k( 128) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0037175 k( 129) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0037175 k( 130) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0037175 k( 131) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0037175 k( 132) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0037175 k( 133) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0037175 k( 134) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0037175 k( 135) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0037175 k( 136) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0037175 k( 137) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0037175 k( 138) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0037175 k( 139) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0037175 k( 140) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0037175 k( 141) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0037175 k( 142) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0037175 k( 143) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0037175 k( 144) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0037175 k( 145) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0037175 k( 146) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0037175 k( 147) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0037175 k( 148) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0037175 k( 149) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0037175 k( 150) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0037175 k( 151) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0037175 k( 152) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0037175 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037175 k( 154) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0037175 k( 155) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0037175 k( 156) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0037175 k( 157) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0037175 k( 158) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0037175 k( 159) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0037175 k( 160) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0037175 k( 161) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0037175 k( 162) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0037175 k( 163) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 164) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0037175 k( 165) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0037175 k( 166) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0037175 k( 167) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0037175 k( 168) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0037175 k( 169) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0037175 k( 170) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0037175 k( 171) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0037175 k( 172) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0037175 k( 173) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0037175 k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0037175 k( 175) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0037175 k( 176) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0037175 k( 177) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0037175 k( 178) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0037175 k( 179) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0037175 k( 180) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0037175 k( 181) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0037175 k( 182) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0037175 k( 183) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 k( 185) = ( 0.4897959 0.5000000 0.4897959), wk = 0.0037175 k( 186) = ( 0.4795918 0.5000000 0.4795918), wk = 0.0037175 k( 187) = ( 0.4693878 0.5000000 0.4693878), wk = 0.0037175 k( 188) = ( 0.4591837 0.5000000 0.4591837), wk = 0.0037175 k( 189) = ( 0.4489796 0.5000000 0.4489796), wk = 0.0037175 k( 190) = ( 0.4387755 0.5000000 0.4387755), wk = 0.0037175 k( 191) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0037175 k( 192) = ( 0.4183674 0.5000000 0.4183674), wk = 0.0037175 k( 193) = ( 0.4081633 0.5000000 0.4081633), wk = 0.0037175 k( 194) = ( 0.3979592 0.5000000 0.3979592), wk = 0.0037175 k( 195) = ( 0.3877551 0.5000000 0.3877551), wk = 0.0037175 k( 196) = ( 0.3775510 0.5000000 0.3775510), wk = 0.0037175 k( 197) = ( 0.3673469 0.5000000 0.3673469), wk = 0.0037175 k( 198) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0037175 k( 199) = ( 0.3469388 0.5000000 0.3469388), wk = 0.0037175 k( 200) = ( 0.3367347 0.5000000 0.3367347), wk = 0.0037175 k( 201) = ( 0.3265306 0.5000000 0.3265306), wk = 0.0037175 k( 202) = ( 0.3163265 0.5000000 0.3163265), wk = 0.0037175 k( 203) = ( 0.3061224 0.5000000 0.3061224), wk = 0.0037175 k( 204) = ( 0.2959184 0.5000000 0.2959184), wk = 0.0037175 k( 205) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0037175 k( 206) = ( 0.2755102 0.5000000 0.2755102), wk = 0.0037175 k( 207) = ( 0.2653061 0.5000000 0.2653061), wk = 0.0037175 k( 208) = ( 0.2551020 0.5000000 0.2551020), wk = 0.0037175 k( 209) = ( 0.2448980 0.5000000 0.2448980), wk = 0.0037175 k( 210) = ( 0.2346939 0.5000000 0.2346939), wk = 0.0037175 k( 211) = ( 0.2244898 0.5000000 0.2244898), wk = 0.0037175 k( 212) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0037175 k( 213) = ( 0.2040816 0.5000000 0.2040816), wk = 0.0037175 k( 214) = ( 0.1938776 0.5000000 0.1938776), wk = 0.0037175 k( 215) = ( 0.1836735 0.5000000 0.1836735), wk = 0.0037175 k( 216) = ( 0.1734694 0.5000000 0.1734694), wk = 0.0037175 k( 217) = ( 0.1632653 0.5000000 0.1632653), wk = 0.0037175 k( 218) = ( 0.1530612 0.5000000 0.1530612), wk = 0.0037175 k( 219) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0037175 k( 220) = ( 0.1326531 0.5000000 0.1326531), wk = 0.0037175 k( 221) = ( 0.1224490 0.5000000 0.1224490), wk = 0.0037175 k( 222) = ( 0.1122449 0.5000000 0.1122449), wk = 0.0037175 k( 223) = ( 0.1020408 0.5000000 0.1020408), wk = 0.0037175 k( 224) = ( 0.0918367 0.5000000 0.0918367), wk = 0.0037175 k( 225) = ( 0.0816327 0.5000000 0.0816327), wk = 0.0037175 k( 226) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0037175 k( 227) = ( 0.0612245 0.5000000 0.0612245), wk = 0.0037175 k( 228) = ( 0.0510204 0.5000000 0.0510204), wk = 0.0037175 k( 229) = ( 0.0408163 0.5000000 0.0408163), wk = 0.0037175 k( 230) = ( 0.0306122 0.5000000 0.0306122), wk = 0.0037175 k( 231) = ( 0.0204082 0.5000000 0.0204082), wk = 0.0037175 k( 232) = ( 0.0102041 0.5000000 0.0102041), wk = 0.0037175 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037175 k( 234) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037175 k( 235) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0037175 k( 236) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0037175 k( 237) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0037175 k( 238) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0037175 k( 239) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0037175 k( 240) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0037175 k( 241) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0037175 k( 242) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0037175 k( 243) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0037175 k( 244) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0037175 k( 245) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0037175 k( 246) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0037175 k( 247) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0037175 k( 248) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0037175 k( 249) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0037175 k( 250) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0037175 k( 251) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0037175 k( 252) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0037175 k( 253) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0037175 k( 254) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0037175 k( 255) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0037175 k( 256) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0037175 k( 257) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0037175 k( 258) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0037175 k( 259) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0037175 k( 260) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0037175 k( 261) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0037175 k( 262) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0037175 k( 263) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0037175 k( 264) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0037175 k( 265) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0037175 k( 266) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0037175 k( 267) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0037175 k( 268) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0037175 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037175 Dense grid: 85735 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 31103 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 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2381) G-vector shells 0.00 Mb ( 492) 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= -0.000009 0.000000 The potential is recalculated from file : ./Sc3InC.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 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.3 secs Computing kpt #: 7 total cpu time spent up to now is 12.3 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 14.2 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.1 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 17.9 secs Computing kpt #: 14 total cpu time spent up to now is 18.9 secs Computing kpt #: 15 total cpu time spent up to now is 19.8 secs Computing kpt #: 16 total cpu time spent up to now is 20.8 secs Computing kpt #: 17 total cpu time spent up to now is 21.9 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.7 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.5 secs Computing kpt #: 20 total cpu time spent up to now is 26.6 secs Computing kpt #: 21 total cpu time spent up to now is 27.7 secs Computing kpt #: 22 total cpu time spent up to now is 28.8 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.6 secs Computing kpt #: 24 total cpu time spent up to now is 32.2 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.8 secs Computing kpt #: 26 total cpu time spent up to now is 34.9 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.7 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.4 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 40.1 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.8 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 43.5 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.3 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.0 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.7 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.4 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.2 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.8 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.5 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.3 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.8 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.5 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.3 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.1 secs Computing kpt #: 45 total cpu time spent up to now is 67.3 secs Computing kpt #: 46 total cpu time spent up to now is 68.7 secs Computing kpt #: 47 total cpu time spent up to now is 69.7 secs Computing kpt #: 48 total cpu time spent up to now is 70.6 secs Computing kpt #: 49 total cpu time spent up to now is 71.5 secs Computing kpt #: 50 total cpu time spent up to now is 72.3 secs Computing kpt #: 51 total cpu time spent up to now is 73.1 secs Computing kpt #: 52 total cpu time spent up to now is 74.0 secs Computing kpt #: 53 total cpu time spent up to now is 74.8 secs Computing kpt #: 54 total cpu time spent up to now is 75.7 secs Computing kpt #: 55 total cpu time spent up to now is 76.6 secs Computing kpt #: 56 total cpu time spent up to now is 77.5 secs Computing kpt #: 57 total cpu time spent up to now is 78.5 secs Computing kpt #: 58 total cpu time spent up to now is 79.5 secs Computing kpt #: 59 total cpu time spent up to now is 80.5 secs Computing kpt #: 60 total cpu time spent up to now is 81.6 secs Computing kpt #: 61 total cpu time spent up to now is 82.7 secs Computing kpt #: 62 total cpu time spent up to now is 83.9 secs Computing kpt #: 63 total cpu time spent up to now is 85.1 secs Computing kpt #: 64 total cpu time spent up to now is 86.3 secs Computing kpt #: 65 total cpu time spent up to now is 87.6 secs Computing kpt #: 66 total cpu time spent up to now is 88.8 secs Computing kpt #: 67 total cpu time spent up to now is 89.9 secs Computing kpt #: 68 total cpu time spent up to now is 90.9 secs Computing kpt #: 69 total cpu time spent up to now is 91.9 secs Computing kpt #: 70 total cpu time spent up to now is 92.7 secs Computing kpt #: 71 total cpu time spent up to now is 93.5 secs Computing kpt #: 72 total cpu time spent up to now is 94.3 secs Computing kpt #: 73 total cpu time spent up to now is 95.0 secs Computing kpt #: 74 total cpu time spent up to now is 95.9 secs Computing kpt #: 75 total cpu time spent up to now is 96.9 secs Computing kpt #: 76 total cpu time spent up to now is 97.6 secs Computing kpt #: 77 total cpu time spent up to now is 98.4 secs Computing kpt #: 78 total cpu time spent up to now is 99.3 secs Computing kpt #: 79 total cpu time spent up to now is 100.1 secs Computing kpt #: 80 total cpu time spent up to now is 101.0 secs Computing kpt #: 81 total cpu time spent up to now is 101.9 secs Computing kpt #: 82 total cpu time spent up to now is 103.0 secs Computing kpt #: 83 total cpu time spent up to now is 104.5 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.3 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.1 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 109.8 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.6 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.4 secs Computing kpt #: 89 total cpu time spent up to now is 115.0 secs Computing kpt #: 90 total cpu time spent up to now is 116.2 secs Computing kpt #: 91 total cpu time spent up to now is 117.2 secs Computing kpt #: 92 total cpu time spent up to now is 118.2 secs Computing kpt #: 93 total cpu time spent up to now is 119.2 secs Computing kpt #: 94 total cpu time spent up to now is 120.1 secs Computing kpt #: 95 total cpu time spent up to now is 120.9 secs Computing kpt #: 96 total cpu time spent up to now is 121.6 secs Computing kpt #: 97 total cpu time spent up to now is 122.4 secs Computing kpt #: 98 total cpu time spent up to now is 123.1 secs Computing kpt #: 99 total cpu time spent up to now is 123.8 secs Computing kpt #: 100 total cpu time spent up to now is 124.6 secs Computing kpt #: 101 total cpu time spent up to now is 125.3 secs Computing kpt #: 102 total cpu time spent up to now is 126.0 secs Computing kpt #: 103 total cpu time spent up to now is 126.8 secs Computing kpt #: 104 total cpu time spent up to now is 127.5 secs Computing kpt #: 105 total cpu time spent up to now is 128.2 secs Computing kpt #: 106 total cpu time spent up to now is 128.9 secs Computing kpt #: 107 total cpu time spent up to now is 129.7 secs Computing kpt #: 108 total cpu time spent up to now is 130.4 secs Computing kpt #: 109 total cpu time spent up to now is 131.2 secs Computing kpt #: 110 total cpu time spent up to now is 132.0 secs Computing kpt #: 111 total cpu time spent up to now is 132.8 secs Computing kpt #: 112 total cpu time spent up to now is 133.7 secs Computing kpt #: 113 total cpu time spent up to now is 134.6 secs Computing kpt #: 114 total cpu time spent up to now is 135.5 secs Computing kpt #: 115 total cpu time spent up to now is 136.5 secs Computing kpt #: 116 total cpu time spent up to now is 137.5 secs Computing kpt #: 117 total cpu time spent up to now is 138.5 secs Computing kpt #: 118 total cpu time spent up to now is 140.0 secs Computing kpt #: 119 total cpu time spent up to now is 141.3 secs Computing kpt #: 120 total cpu time spent up to now is 143.2 secs Computing kpt #: 121 total cpu time spent up to now is 144.7 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.6 secs Computing kpt #: 123 total cpu time spent up to now is 148.3 secs Computing kpt #: 124 total cpu time spent up to now is 150.1 secs Computing kpt #: 125 total cpu time spent up to now is 151.4 secs Computing kpt #: 126 total cpu time spent up to now is 152.5 secs Computing kpt #: 127 total cpu time spent up to now is 153.5 secs Computing kpt #: 128 total cpu time spent up to now is 154.5 secs Computing kpt #: 129 total cpu time spent up to now is 155.4 secs Computing kpt #: 130 total cpu time spent up to now is 156.4 secs Computing kpt #: 131 total cpu time spent up to now is 157.3 secs Computing kpt #: 132 total cpu time spent up to now is 158.3 secs Computing kpt #: 133 total cpu time spent up to now is 159.3 secs Computing kpt #: 134 total cpu time spent up to now is 160.3 secs Computing kpt #: 135 total cpu time spent up to now is 161.3 secs Computing kpt #: 136 total cpu time spent up to now is 162.3 secs Computing kpt #: 137 total cpu time spent up to now is 163.2 secs Computing kpt #: 138 total cpu time spent up to now is 164.2 secs Computing kpt #: 139 total cpu time spent up to now is 165.1 secs Computing kpt #: 140 total cpu time spent up to now is 166.0 secs Computing kpt #: 141 total cpu time spent up to now is 167.0 secs Computing kpt #: 142 total cpu time spent up to now is 167.9 secs Computing kpt #: 143 total cpu time spent up to now is 168.9 secs Computing kpt #: 144 total cpu time spent up to now is 169.8 secs Computing kpt #: 145 total cpu time spent up to now is 170.8 secs Computing kpt #: 146 total cpu time spent up to now is 171.7 secs Computing kpt #: 147 total cpu time spent up to now is 172.6 secs Computing kpt #: 148 total cpu time spent up to now is 173.5 secs Computing kpt #: 149 total cpu time spent up to now is 174.4 secs Computing kpt #: 150 total cpu time spent up to now is 175.2 secs Computing kpt #: 151 total cpu time spent up to now is 176.1 secs Computing kpt #: 152 total cpu time spent up to now is 176.8 secs Computing kpt #: 153 total cpu time spent up to now is 177.7 secs Computing kpt #: 154 total cpu time spent up to now is 178.5 secs Computing kpt #: 155 total cpu time spent up to now is 179.4 secs Computing kpt #: 156 total cpu time spent up to now is 180.3 secs Computing kpt #: 157 total cpu time spent up to now is 181.4 secs Computing kpt #: 158 total cpu time spent up to now is 182.6 secs Computing kpt #: 159 total cpu time spent up to now is 183.7 secs Computing kpt #: 160 total cpu time spent up to now is 185.0 secs Computing kpt #: 161 total cpu time spent up to now is 186.3 secs Computing kpt #: 162 total cpu time spent up to now is 187.8 secs Computing kpt #: 163 total cpu time spent up to now is 188.9 secs Computing kpt #: 164 total cpu time spent up to now is 190.4 secs Computing kpt #: 165 total cpu time spent up to now is 191.9 secs Computing kpt #: 166 total cpu time spent up to now is 193.0 secs Computing kpt #: 167 total cpu time spent up to now is 194.3 secs Computing kpt #: 168 total cpu time spent up to now is 195.9 secs Computing kpt #: 169 total cpu time spent up to now is 197.4 secs Computing kpt #: 170 total cpu time spent up to now is 198.7 secs Computing kpt #: 171 total cpu time spent up to now is 200.1 secs Computing kpt #: 172 total cpu time spent up to now is 201.6 secs Computing kpt #: 173 total cpu time spent up to now is 203.0 secs Computing kpt #: 174 total cpu time spent up to now is 204.4 secs Computing kpt #: 175 total cpu time spent up to now is 205.5 secs Computing kpt #: 176 total cpu time spent up to now is 206.4 secs Computing kpt #: 177 total cpu time spent up to now is 207.3 secs Computing kpt #: 178 total cpu time spent up to now is 208.3 secs Computing kpt #: 179 total cpu time spent up to now is 209.4 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.1 secs Computing kpt #: 181 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 213.0 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.7 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.3 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.0 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.7 secs Computing kpt #: 186 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 221.5 secs Computing kpt #: 187 total cpu time spent up to now is 223.1 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.0 secs Computing kpt #: 189 total cpu time spent up to now is 226.0 secs Computing kpt #: 190 total cpu time spent up to now is 226.9 secs Computing kpt #: 191 total cpu time spent up to now is 227.6 secs Computing kpt #: 192 total cpu time spent up to now is 228.5 secs Computing kpt #: 193 total cpu time spent up to now is 229.4 secs Computing kpt #: 194 total cpu time spent up to now is 230.8 secs Computing kpt #: 195 total cpu time spent up to now is 232.1 secs Computing kpt #: 196 total cpu time spent up to now is 233.5 secs Computing kpt #: 197 total cpu time spent up to now is 234.9 secs Computing kpt #: 198 total cpu time spent up to now is 236.3 secs Computing kpt #: 199 total cpu time spent up to now is 237.7 secs Computing kpt #: 200 total cpu time spent up to now is 239.1 secs Computing kpt #: 201 total cpu time spent up to now is 240.1 secs Computing kpt #: 202 total cpu time spent up to now is 241.1 secs Computing kpt #: 203 total cpu time spent up to now is 242.2 secs Computing kpt #: 204 total cpu time spent up to now is 243.1 secs Computing kpt #: 205 total cpu time spent up to now is 244.1 secs Computing kpt #: 206 total cpu time spent up to now is 245.1 secs Computing kpt #: 207 total cpu time spent up to now is 246.0 secs Computing kpt #: 208 total cpu time spent up to now is 247.0 secs Computing kpt #: 209 total cpu time spent up to now is 247.9 secs Computing kpt #: 210 total cpu time spent up to now is 248.8 secs Computing kpt #: 211 total cpu time spent up to now is 249.7 secs Computing kpt #: 212 total cpu time spent up to now is 250.6 secs Computing kpt #: 213 total cpu time spent up to now is 251.5 secs Computing kpt #: 214 total cpu time spent up to now is 252.3 secs Computing kpt #: 215 total cpu time spent up to now is 253.1 secs Computing kpt #: 216 total cpu time spent up to now is 253.9 secs Computing kpt #: 217 total cpu time spent up to now is 254.7 secs Computing kpt #: 218 total cpu time spent up to now is 255.5 secs Computing kpt #: 219 total cpu time spent up to now is 256.3 secs Computing kpt #: 220 total cpu time spent up to now is 257.1 secs Computing kpt #: 221 total cpu time spent up to now is 257.9 secs Computing kpt #: 222 total cpu time spent up to now is 258.9 secs Computing kpt #: 223 total cpu time spent up to now is 259.8 secs Computing kpt #: 224 total cpu time spent up to now is 261.2 secs Computing kpt #: 225 total cpu time spent up to now is 262.8 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.6 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.4 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.1 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.6 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.2 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.9 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.7 secs Computing kpt #: 234 total cpu time spent up to now is 277.3 secs Computing kpt #: 235 total cpu time spent up to now is 278.1 secs Computing kpt #: 236 total cpu time spent up to now is 278.8 secs Computing kpt #: 237 total cpu time spent up to now is 279.6 secs Computing kpt #: 238 total cpu time spent up to now is 280.4 secs Computing kpt #: 239 total cpu time spent up to now is 281.1 secs Computing kpt #: 240 total cpu time spent up to now is 281.9 secs Computing kpt #: 241 total cpu time spent up to now is 282.7 secs Computing kpt #: 242 total cpu time spent up to now is 283.5 secs Computing kpt #: 243 total cpu time spent up to now is 284.3 secs Computing kpt #: 244 total cpu time spent up to now is 285.2 secs Computing kpt #: 245 total cpu time spent up to now is 286.0 secs Computing kpt #: 246 total cpu time spent up to now is 286.8 secs Computing kpt #: 247 total cpu time spent up to now is 287.7 secs Computing kpt #: 248 total cpu time spent up to now is 288.6 secs Computing kpt #: 249 total cpu time spent up to now is 289.6 secs Computing kpt #: 250 total cpu time spent up to now is 290.7 secs Computing kpt #: 251 total cpu time spent up to now is 291.9 secs Computing kpt #: 252 total cpu time spent up to now is 293.2 secs Computing kpt #: 253 total cpu time spent up to now is 294.2 secs Computing kpt #: 254 total cpu time spent up to now is 295.4 secs Computing kpt #: 255 total cpu time spent up to now is 296.6 secs Computing kpt #: 256 total cpu time spent up to now is 297.9 secs Computing kpt #: 257 total cpu time spent up to now is 299.0 secs Computing kpt #: 258 total cpu time spent up to now is 300.2 secs Computing kpt #: 259 total cpu time spent up to now is 301.3 secs Computing kpt #: 260 total cpu time spent up to now is 302.6 secs Computing kpt #: 261 total cpu time spent up to now is 303.6 secs Computing kpt #: 262 total cpu time spent up to now is 304.6 secs Computing kpt #: 263 total cpu time spent up to now is 305.6 secs Computing kpt #: 264 total cpu time spent up to now is 306.6 secs Computing kpt #: 265 total cpu time spent up to now is 307.3 secs Computing kpt #: 266 total cpu time spent up to now is 308.9 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.8 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 269 total cpu time spent up to now is 313.9 secs ethr = 2.00E-08, avg # of iterations = 62.3 total cpu time spent up to now is 313.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -38.2975 -38.2975 -38.2196 -38.2196 -38.2196 -38.2196 -17.3218 -17.3218 -17.3218 -17.3218 -17.1608 -17.1608 -16.8244 -16.8244 -16.8244 -16.8244 -16.7978 -16.7978 -16.7474 -16.7474 -16.5485 -16.5485 -16.5485 -16.5485 -3.1512 -3.1512 -3.1512 -3.1512 -2.3037 -2.3037 -2.3037 -2.3037 -2.3006 -2.3006 0.6695 0.6695 4.6134 4.6134 9.7415 9.7415 9.7629 9.7629 9.7629 9.7629 10.5618 10.5618 10.5618 10.5618 10.9329 10.9329 10.9329 10.9329 10.9380 10.9380 13.1173 13.1173 13.4557 13.4557 13.4557 13.4557 k = 0.0000 0.0143-0.0000 ( 3887 PWs) bands (ev): -38.2975 -38.2975 -38.2196 -38.2196 -38.2196 -38.2196 -17.3218 -17.3218 -17.3217 -17.3217 -17.1608 -17.1608 -16.8244 -16.8244 -16.8243 -16.8243 -16.7977 -16.7977 -16.7474 -16.7474 -16.5487 -16.5487 -16.5486 -16.5486 -3.1512 -3.1512 -3.1512 -3.1512 -2.3037 -2.3037 -2.3036 -2.3036 -2.3006 -2.3006 0.6706 0.6706 4.6144 4.6144 9.7377 9.7377 9.7580 9.7580 9.7621 9.7621 10.5633 10.5633 10.5641 10.5641 10.9314 10.9314 10.9328 10.9328 10.9376 10.9376 13.1113 13.1113 13.4332 13.4332 13.4360 13.4360 k = 0.0000 0.0286-0.0000 ( 3887 PWs) bands (ev): -38.2974 -38.2974 -38.2197 -38.2197 -38.2196 -38.2196 -17.3217 -17.3217 -17.3214 -17.3214 -17.1609 -17.1609 -16.8244 -16.8244 -16.8242 -16.8242 -16.7976 -16.7976 -16.7475 -16.7475 -16.5492 -16.5492 -16.5488 -16.5488 -3.1512 -3.1512 -3.1511 -3.1511 -2.3036 -2.3036 -2.3035 -2.3035 -2.3006 -2.3006 0.6739 0.6739 4.6174 4.6174 9.7204 9.7204 9.7500 9.7500 9.7598 9.7598 10.5678 10.5678 10.5703 10.5703 10.9271 10.9271 10.9311 10.9311 10.9377 10.9377 13.0935 13.0935 13.3913 13.3913 13.3945 13.3945 k = 0.0000 0.0429-0.0000 ( 3887 PWs) bands (ev): -38.2972 -38.2972 -38.2199 -38.2199 -38.2196 -38.2196 -17.3216 -17.3216 -17.3209 -17.3209 -17.1610 -17.1610 -16.8244 -16.8244 -16.8240 -16.8240 -16.7974 -16.7974 -16.7476 -16.7476 -16.5500 -16.5500 -16.5490 -16.5490 -3.1511 -3.1511 -3.1509 -3.1509 -2.3035 -2.3035 -2.3032 -2.3032 -2.3005 -2.3005 0.6793 0.6793 4.6224 4.6224 9.6855 9.6855 9.7443 9.7443 9.7559 9.7559 10.5752 10.5752 10.5789 10.5789 10.9201 10.9201 10.9266 10.9266 10.9397 10.9397 13.0646 13.0646 13.3356 13.3356 13.3562 13.3562 k = 0.0000 0.0571-0.0000 ( 3879 PWs) bands (ev): -38.2970 -38.2970 -38.2201 -38.2201 -38.2196 -38.2196 -17.3215 -17.3215 -17.3202 -17.3202 -17.1613 -17.1613 -16.8244 -16.8244 -16.8236 -16.8236 -16.7971 -16.7971 -16.7477 -16.7477 -16.5511 -16.5511 -16.5494 -16.5494 -3.1510 -3.1510 -3.1506 -3.1506 -2.3034 -2.3034 -2.3028 -2.3028 -2.3004 -2.3004 0.6868 0.6868 4.6295 4.6295 9.6373 9.6373 9.7388 9.7388 9.7505 9.7505 10.5857 10.5857 10.5879 10.5879 10.9104 10.9104 10.9198 10.9198 10.9431 10.9431 13.0243 13.0243 13.2784 13.2784 13.3213 13.3213 k = 0.0000 0.0714-0.0000 ( 3875 PWs) bands (ev): -38.2967 -38.2967 -38.2205 -38.2205 -38.2196 -38.2196 -17.3212 -17.3212 -17.3193 -17.3193 -17.1616 -17.1616 -16.8244 -16.8244 -16.8232 -16.8232 -16.7967 -16.7967 -16.7479 -16.7479 -16.5526 -16.5526 -16.5500 -16.5500 -3.1509 -3.1509 -3.1503 -3.1503 -2.3033 -2.3033 -2.3023 -2.3023 -2.3003 -2.3003 0.6964 0.6964 4.6384 4.6384 9.5789 9.5789 9.7324 9.7324 9.7438 9.7438 10.5950 10.5950 10.5991 10.5991 10.8980 10.8980 10.9109 10.9109 10.9476 10.9476 12.9715 12.9715 13.2280 13.2280 13.2905 13.2905 k = 0.0000 0.0857-0.0000 ( 3867 PWs) bands (ev): -38.2963 -38.2963 -38.2208 -38.2208 -38.2196 -38.2196 -17.3210 -17.3210 -17.3182 -17.3182 -17.1619 -17.1619 -16.8245 -16.8245 -16.8227 -16.8227 -16.7961 -16.7961 -16.7482 -16.7482 -16.5543 -16.5543 -16.5505 -16.5505 -3.1507 -3.1507 -3.1499 -3.1499 -2.3030 -2.3030 -2.3018 -2.3018 -2.3001 -2.3001 0.7081 0.7081 4.6493 4.6493 9.5124 9.5124 9.7250 9.7250 9.7358 9.7358 10.5981 10.5981 10.6153 10.6153 10.8833 10.8833 10.9000 10.9000 10.9532 10.9532 12.9077 12.9077 13.1887 13.1887 13.2641 13.2641 k = 0.0000 0.1000-0.0000 ( 3867 PWs) bands (ev): -38.2958 -38.2958 -38.2213 -38.2213 -38.2196 -38.2196 -17.3208 -17.3208 -17.3170 -17.3170 -17.1623 -17.1623 -16.8246 -16.8246 -16.8221 -16.8221 -16.7955 -16.7955 -16.7485 -16.7485 -16.5564 -16.5564 -16.5513 -16.5513 -3.1506 -3.1506 -3.1495 -3.1495 -2.3029 -2.3029 -2.3012 -2.3012 -2.2999 -2.2999 0.7217 0.7217 4.6619 4.6619 9.4396 9.4396 9.7166 9.7166 9.7265 9.7265 10.5953 10.5953 10.6344 10.6344 10.8664 10.8664 10.8874 10.8874 10.9598 10.9598 12.8368 12.8368 13.1604 13.1604 13.2422 13.2422 k = 0.0000 0.1143-0.0000 ( 3867 PWs) bands (ev): -38.2953 -38.2953 -38.2218 -38.2218 -38.2196 -38.2196 -17.3205 -17.3205 -17.3155 -17.3155 -17.1628 -17.1628 -16.8248 -16.8248 -16.8215 -16.8215 -16.7946 -16.7946 -16.7489 -16.7489 -16.5587 -16.5587 -16.5521 -16.5521 -3.1504 -3.1504 -3.1491 -3.1491 -2.3026 -2.3026 -2.3005 -2.3005 -2.2998 -2.2998 0.7372 0.7372 4.6763 4.6763 9.3619 9.3619 9.7072 9.7072 9.7161 9.7161 10.5850 10.5850 10.6564 10.6564 10.8474 10.8474 10.8730 10.8730 10.9673 10.9673 12.7642 12.7642 13.1412 13.1412 13.2247 13.2247 k = 0.0000 0.1286-0.0000 ( 3863 PWs) bands (ev): -38.2947 -38.2947 -38.2224 -38.2224 -38.2196 -38.2196 -17.3201 -17.3201 -17.3139 -17.3139 -17.1634 -17.1634 -16.8251 -16.8251 -16.8207 -16.8207 -16.7935 -16.7935 -16.7493 -16.7493 -16.5614 -16.5614 -16.5530 -16.5530 -3.1502 -3.1502 -3.1486 -3.1486 -2.3024 -2.3024 -2.2997 -2.2997 -2.2995 -2.2995 0.7546 0.7546 4.6923 4.6923 9.2808 9.2808 9.6970 9.6970 9.7047 9.7047 10.5659 10.5659 10.6811 10.6811 10.8268 10.8268 10.8571 10.8571 10.9757 10.9757 12.6938 12.6938 13.1291 13.1291 13.2115 13.2115 k = 0.0000 0.1429-0.0000 ( 3871 PWs) bands (ev): -38.2941 -38.2941 -38.2230 -38.2230 -38.2196 -38.2196 -17.3198 -17.3198 -17.3121 -17.3121 -17.1641 -17.1641 -16.8255 -16.8255 -16.8199 -16.8199 -16.7923 -16.7923 -16.7497 -16.7497 -16.5643 -16.5643 -16.5540 -16.5540 -3.1501 -3.1501 -3.1481 -3.1481 -2.3022 -2.3022 -2.2994 -2.2994 -2.2989 -2.2989 0.7737 0.7737 4.7099 4.7099 9.1972 9.1972 9.6860 9.6860 9.6925 9.6925 10.5370 10.5370 10.7084 10.7084 10.8046 10.8046 10.8397 10.8397 10.9848 10.9848 12.6289 12.6289 13.1227 13.1227 13.2025 13.2025 k = 0.0000 0.1571-0.0000 ( 3855 PWs) bands (ev): -38.2934 -38.2934 -38.2237 -38.2237 -38.2195 -38.2195 -17.3193 -17.3193 -17.3101 -17.3101 -17.1648 -17.1648 -16.8259 -16.8259 -16.8189 -16.8189 -16.7908 -16.7908 -16.7502 -16.7502 -16.5675 -16.5675 -16.5551 -16.5551 -3.1498 -3.1498 -3.1474 -3.1474 -2.3018 -2.3018 -2.2990 -2.2990 -2.2980 -2.2980 0.7944 0.7944 4.7290 4.7290 9.1121 9.1121 9.6744 9.6744 9.6797 9.6797 10.4981 10.4981 10.7383 10.7383 10.7811 10.7811 10.8212 10.8212 10.9949 10.9949 12.5714 12.5714 13.1212 13.1212 13.1974 13.1974 k = 0.0000 0.1714-0.0000 ( 3863 PWs) bands (ev): -38.2926 -38.2926 -38.2244 -38.2244 -38.2195 -38.2195 -17.3190 -17.3190 -17.3080 -17.3080 -17.1657 -17.1657 -16.8265 -16.8265 -16.8180 -16.8180 -16.7891 -16.7891 -16.7508 -16.7508 -16.5710 -16.5710 -16.5562 -16.5562 -3.1495 -3.1495 -3.1469 -3.1469 -2.3015 -2.3015 -2.2988 -2.2988 -2.2971 -2.2971 0.8166 0.8166 4.7492 4.7492 9.0264 9.0264 9.6621 9.6621 9.6661 9.6661 10.4486 10.4486 10.7565 10.7565 10.7707 10.7707 10.8017 10.8017 11.0058 11.0058 12.5223 12.5223 13.1237 13.1237 13.1961 13.1961 k = 0.0000 0.1857-0.0000 ( 3871 PWs) bands (ev): -38.2918 -38.2918 -38.2252 -38.2252 -38.2195 -38.2195 -17.3186 -17.3186 -17.3057 -17.3057 -17.1666 -17.1666 -16.8272 -16.8272 -16.8169 -16.8169 -16.7872 -16.7872 -16.7515 -16.7515 -16.5747 -16.5747 -16.5574 -16.5574 -3.1494 -3.1494 -3.1463 -3.1463 -2.3012 -2.3012 -2.2987 -2.2987 -2.2962 -2.2962 0.8402 0.8402 4.7706 4.7706 8.9409 8.9409 9.6495 9.6495 9.6522 9.6522 10.3892 10.3892 10.7310 10.7310 10.7804 10.7804 10.8062 10.8062 11.0174 11.0174 12.4823 12.4823 13.1298 13.1298 13.1982 13.1982 k = 0.0000 0.2000-0.0000 ( 3871 PWs) bands (ev): -38.2910 -38.2910 -38.2261 -38.2261 -38.2195 -38.2195 -17.3181 -17.3181 -17.3033 -17.3033 -17.1677 -17.1677 -16.8279 -16.8279 -16.8158 -16.8158 -16.7850 -16.7850 -16.7522 -16.7522 -16.5787 -16.5787 -16.5586 -16.5586 -3.1491 -3.1491 -3.1457 -3.1457 -2.3009 -2.3009 -2.2984 -2.2984 -2.2952 -2.2952 0.8650 0.8650 4.7930 4.7930 8.8563 8.8563 9.6366 9.6366 9.6379 9.6379 10.3204 10.3204 10.7049 10.7049 10.7594 10.7594 10.8433 10.8433 11.0296 11.0296 12.4511 12.4511 13.1391 13.1391 13.2035 13.2035 k = 0.0000 0.2143-0.0000 ( 3875 PWs) bands (ev): -38.2901 -38.2901 -38.2270 -38.2270 -38.2195 -38.2195 -17.3177 -17.3177 -17.3008 -17.3008 -17.1688 -17.1688 -16.8287 -16.8287 -16.8146 -16.8146 -16.7826 -16.7826 -16.7529 -16.7529 -16.5829 -16.5829 -16.5599 -16.5599 -3.1489 -3.1489 -3.1450 -3.1450 -2.3006 -2.3006 -2.2981 -2.2981 -2.2941 -2.2941 0.8909 0.8909 4.8162 4.8162 8.7734 8.7734 9.6234 9.6234 9.6235 9.6235 10.2434 10.2434 10.6784 10.6784 10.7376 10.7376 10.8827 10.8827 11.0423 11.0423 12.4285 12.4285 13.1511 13.1511 13.2116 13.2116 k = 0.0000 0.2286-0.0000 ( 3867 PWs) bands (ev): -38.2891 -38.2891 -38.2280 -38.2280 -38.2195 -38.2195 -17.3173 -17.3173 -17.2980 -17.2980 -17.1700 -17.1700 -16.8296 -16.8296 -16.8133 -16.8133 -16.7800 -16.7800 -16.7537 -16.7537 -16.5873 -16.5873 -16.5612 -16.5612 -3.1486 -3.1486 -3.1442 -3.1442 -2.3002 -2.3002 -2.2978 -2.2978 -2.2929 -2.2929 0.9176 0.9176 4.8399 4.8399 8.6930 8.6930 9.6089 9.6089 9.6103 9.6103 10.1592 10.1592 10.6518 10.6518 10.7156 10.7156 10.9242 10.9242 11.0557 11.0557 12.4137 12.4137 13.1654 13.1654 13.2222 13.2222 k = 0.0000 0.2429-0.0000 ( 3867 PWs) bands (ev): -38.2881 -38.2881 -38.2290 -38.2290 -38.2195 -38.2195 -17.3168 -17.3168 -17.2952 -17.2952 -17.1714 -17.1714 -16.8306 -16.8306 -16.8119 -16.8119 -16.7771 -16.7771 -16.7546 -16.7546 -16.5919 -16.5919 -16.5626 -16.5626 -3.1483 -3.1483 -3.1435 -3.1435 -2.2999 -2.2999 -2.2975 -2.2975 -2.2918 -2.2918 0.9452 0.9452 4.8640 4.8640 8.6154 8.6154 9.5945 9.5945 9.5971 9.5971 10.0691 10.0691 10.6253 10.6253 10.6935 10.6935 10.9675 10.9675 11.0695 11.0695 12.4057 12.4057 13.1817 13.1817 13.2348 13.2348 k = 0.0000 0.2571-0.0000 ( 3868 PWs) bands (ev): -38.2870 -38.2870 -38.2300 -38.2300 -38.2195 -38.2195 -17.3163 -17.3163 -17.2922 -17.2922 -17.1728 -17.1728 -16.8315 -16.8315 -16.8105 -16.8105 -16.7740 -16.7740 -16.7555 -16.7555 -16.5967 -16.5967 -16.5639 -16.5639 -3.1480 -3.1480 -3.1428 -3.1428 -2.2996 -2.2996 -2.2972 -2.2972 -2.2907 -2.2907 0.9732 0.9732 4.8883 4.8883 8.5414 8.5414 9.5802 9.5802 9.5841 9.5841 9.9744 9.9744 10.5991 10.5991 10.6714 10.6714 11.0124 11.0124 11.0836 11.0836 12.4036 12.4036 13.1996 13.1996 13.2467 13.2470 k = 0.0000 0.2714-0.0000 ( 3868 PWs) bands (ev): -38.2860 -38.2860 -38.2311 -38.2311 -38.2195 -38.2195 -17.3159 -17.3159 -17.2892 -17.2892 -17.1744 -17.1744 -16.8326 -16.8326 -16.8090 -16.8090 -16.7707 -16.7707 -16.7564 -16.7564 -16.6017 -16.6017 -16.5653 -16.5653 -3.1478 -3.1478 -3.1421 -3.1421 -2.2993 -2.2993 -2.2969 -2.2969 -2.2896 -2.2896 1.0015 1.0015 4.9124 4.9124 8.4715 8.4715 9.5661 9.5661 9.5712 9.5712 9.8763 9.8763 10.5734 10.5734 10.6497 10.6497 11.0588 11.0588 11.0980 11.0980 12.4066 12.4066 13.2189 13.2189 13.2300 13.2300 k = 0.0000 0.2857-0.0000 ( 3868 PWs) bands (ev): -38.2848 -38.2848 -38.2322 -38.2322 -38.2195 -38.2195 -17.3154 -17.3154 -17.2861 -17.2861 -17.1761 -17.1761 -16.8336 -16.8336 -16.8074 -16.8074 -16.7672 -16.7672 -16.7574 -16.7574 -16.6069 -16.6069 -16.5666 -16.5666 -3.1476 -3.1476 -3.1414 -3.1414 -2.2990 -2.2990 -2.2965 -2.2965 -2.2885 -2.2885 1.0299 1.0299 4.9362 4.9362 8.4064 8.4064 9.5525 9.5525 9.5586 9.5586 9.7761 9.7761 10.5484 10.5484 10.6285 10.6285 11.1052 11.1052 11.1137 11.1137 12.4136 12.4136 13.2054 13.2054 13.2390 13.2390 k = 0.0000 0.3000-0.0000 ( 3880 PWs) bands (ev): -38.2837 -38.2837 -38.2333 -38.2333 -38.2195 -38.2195 -17.3150 -17.3150 -17.2828 -17.2828 -17.1779 -17.1779 -16.8346 -16.8346 -16.8058 -16.8058 -16.7635 -16.7635 -16.7585 -16.7585 -16.6123 -16.6123 -16.5680 -16.5680 -3.1474 -3.1474 -3.1408 -3.1408 -2.2988 -2.2988 -2.2964 -2.2964 -2.2875 -2.2875 1.0582 1.0582 4.9594 4.9594 8.3466 8.3466 9.5393 9.5393 9.5461 9.5461 9.6750 9.6750 10.5243 10.5243 10.6078 10.6078 11.1263 11.1263 11.1556 11.1556 12.4240 12.4240 13.1806 13.1806 13.2597 13.2597 k = 0.0000 0.3143-0.0000 ( 3876 PWs) bands (ev): -38.2826 -38.2826 -38.2345 -38.2345 -38.2195 -38.2195 -17.3146 -17.3146 -17.2795 -17.2795 -17.1798 -17.1798 -16.8356 -16.8356 -16.8042 -16.8042 -16.7597 -16.7597 -16.7595 -16.7595 -16.6177 -16.6177 -16.5693 -16.5693 -3.1471 -3.1471 -3.1401 -3.1401 -2.2985 -2.2985 -2.2960 -2.2960 -2.2864 -2.2864 1.0862 1.0862 4.9818 4.9818 8.2925 8.2925 9.5267 9.5267 9.5319 9.5319 9.5759 9.5759 10.5013 10.5013 10.5880 10.5880 11.1408 11.1408 11.2045 11.2045 12.4369 12.4369 13.1562 13.1562 13.2808 13.2808 k = 0.0000 0.3286-0.0000 ( 3884 PWs) bands (ev): -38.2814 -38.2814 -38.2356 -38.2356 -38.2194 -38.2194 -17.3142 -17.3142 -17.2762 -17.2762 -17.1818 -17.1818 -16.8366 -16.8366 -16.8025 -16.8025 -16.7609 -16.7609 -16.7554 -16.7554 -16.6233 -16.6233 -16.5706 -16.5706 -3.1470 -3.1470 -3.1395 -3.1395 -2.2983 -2.2983 -2.2958 -2.2958 -2.2854 -2.2854 1.1134 1.1134 5.0032 5.0032 8.2445 8.2445 9.4681 9.4681 9.5146 9.5146 9.5276 9.5276 10.4794 10.4794 10.5690 10.5690 11.1549 11.1549 11.2538 11.2538 12.4516 12.4516 13.1324 13.1324 13.3019 13.3019 k = 0.0000 0.3429-0.0000 ( 3892 PWs) bands (ev): -38.2802 -38.2802 -38.2368 -38.2368 -38.2194 -38.2194 -17.3138 -17.3138 -17.2730 -17.2730 -17.1838 -17.1838 -16.8375 -16.8375 -16.8008 -16.8008 -16.7621 -16.7621 -16.7512 -16.7512 -16.6290 -16.6290 -16.5718 -16.5718 -3.1468 -3.1468 -3.1390 -3.1390 -2.2981 -2.2981 -2.2955 -2.2955 -2.2846 -2.2846 1.1398 1.1398 5.0232 5.0232 8.2030 8.2030 9.3702 9.3702 9.5033 9.5033 9.5156 9.5156 10.4588 10.4588 10.5511 10.5511 11.1687 11.1687 11.3029 11.3029 12.4675 12.4675 13.1095 13.1095 13.3226 13.3227 k = 0.0000 0.3571-0.0000 ( 3884 PWs) bands (ev): -38.2791 -38.2791 -38.2380 -38.2380 -38.2194 -38.2194 -17.3134 -17.3134 -17.2696 -17.2696 -17.1860 -17.1860 -16.8384 -16.8384 -16.7990 -16.7990 -16.7634 -16.7634 -16.7467 -16.7467 -16.6347 -16.6347 -16.5729 -16.5729 -3.1465 -3.1465 -3.1383 -3.1383 -2.2979 -2.2979 -2.2951 -2.2951 -2.2836 -2.2836 1.1650 1.1650 5.0418 5.0418 8.1682 8.1682 9.2735 9.2735 9.4928 9.4928 9.5056 9.5056 10.4397 10.4397 10.5346 10.5346 11.1819 11.1819 11.3513 11.3513 12.4842 12.4842 13.0876 13.0876 13.3428 13.3429 k = 0.0000 0.3714-0.0000 ( 3876 PWs) bands (ev): -38.2779 -38.2779 -38.2391 -38.2391 -38.2194 -38.2194 -17.3130 -17.3130 -17.2664 -17.2664 -17.1882 -17.1882 -16.8392 -16.8392 -16.7971 -16.7971 -16.7647 -16.7647 -16.7420 -16.7420 -16.6405 -16.6405 -16.5740 -16.5740 -3.1463 -3.1463 -3.1377 -3.1377 -2.2976 -2.2976 -2.2947 -2.2947 -2.2827 -2.2827 1.1888 1.1888 5.0588 5.0588 8.1403 8.1403 9.1797 9.1797 9.4831 9.4831 9.4967 9.4967 10.4222 10.4222 10.5193 10.5193 11.1945 11.1945 11.3985 11.3985 12.5009 12.5009 13.0671 13.0671 13.3621 13.3623 k = 0.0000 0.3857-0.0000 ( 3876 PWs) bands (ev): -38.2768 -38.2768 -38.2402 -38.2402 -38.2194 -38.2194 -17.3127 -17.3127 -17.2631 -17.2631 -17.1904 -17.1904 -16.8400 -16.8400 -16.7953 -16.7953 -16.7662 -16.7662 -16.7372 -16.7372 -16.6464 -16.6464 -16.5749 -16.5749 -3.1461 -3.1461 -3.1372 -3.1372 -2.2975 -2.2975 -2.2945 -2.2945 -2.2820 -2.2820 1.2109 1.2109 5.0741 5.0741 8.1193 8.1193 9.0899 9.0899 9.4743 9.4743 9.4885 9.4885 10.4062 10.4062 10.5052 10.5052 11.2062 11.2062 11.4437 11.4437 12.5173 12.5173 13.0480 13.0480 13.3803 13.3804 k = 0.0000 0.4000-0.0000 ( 3884 PWs) bands (ev): -38.2757 -38.2757 -38.2413 -38.2413 -38.2194 -38.2194 -17.3124 -17.3124 -17.2601 -17.2601 -17.1926 -17.1926 -16.8407 -16.8407 -16.7935 -16.7935 -16.7676 -16.7676 -16.7323 -16.7323 -16.6523 -16.6523 -16.5758 -16.5758 -3.1460 -3.1460 -3.1369 -3.1369 -2.2973 -2.2973 -2.2944 -2.2944 -2.2813 -2.2813 1.2311 1.2311 5.0875 5.0875 8.1048 8.1048 9.0050 9.0050 9.4665 9.4665 9.4813 9.4813 10.3919 10.3919 10.4926 10.4926 11.2170 11.2170 11.4864 11.4864 12.5330 12.5330 13.0306 13.0306 13.3970 13.3972 k = 0.0000 0.4143-0.0000 ( 3884 PWs) bands (ev): -38.2747 -38.2747 -38.2423 -38.2423 -38.2194 -38.2194 -17.3122 -17.3122 -17.2571 -17.2571 -17.1947 -17.1947 -16.8414 -16.8414 -16.7917 -16.7917 -16.7692 -16.7692 -16.7272 -16.7272 -16.6582 -16.6582 -16.5766 -16.5766 -3.1459 -3.1459 -3.1364 -3.1364 -2.2972 -2.2972 -2.2942 -2.2942 -2.2807 -2.2807 1.2492 1.2492 5.0991 5.0991 8.0966 8.0966 8.9261 8.9261 9.4596 9.4596 9.4749 9.4749 10.3794 10.3794 10.4816 10.4816 11.2267 11.2267 11.5257 11.5257 12.5476 12.5476 13.0150 13.0150 13.4120 13.4121 k = 0.0000 0.4286-0.0000 ( 3892 PWs) bands (ev): -38.2738 -38.2738 -38.2432 -38.2432 -38.2194 -38.2194 -17.3119 -17.3119 -17.2544 -17.2544 -17.1968 -17.1968 -16.8419 -16.8419 -16.7899 -16.7899 -16.7707 -16.7707 -16.7220 -16.7220 -16.6642 -16.6642 -16.5774 -16.5774 -3.1458 -3.1458 -3.1361 -3.1361 -2.2972 -2.2972 -2.2940 -2.2940 -2.2802 -2.2802 1.2649 1.2649 5.1088 5.1088 8.0938 8.0938 8.8544 8.8544 9.4536 9.4536 9.4695 9.4695 10.3687 10.3687 10.4721 10.4721 11.2350 11.2350 11.5609 11.5609 12.5605 12.5605 13.0016 13.0016 13.4252 13.4254 k = 0.0000 0.4429-0.0000 ( 3888 PWs) bands (ev): -38.2730 -38.2730 -38.2440 -38.2440 -38.2194 -38.2194 -17.3117 -17.3117 -17.2519 -17.2519 -17.1987 -17.1987 -16.8423 -16.8423 -16.7881 -16.7881 -16.7722 -16.7722 -16.7166 -16.7166 -16.6702 -16.6702 -16.5779 -16.5779 -3.1457 -3.1457 -3.1359 -3.1359 -2.2970 -2.2970 -2.2939 -2.2939 -2.2797 -2.2797 1.2781 1.2781 5.1167 5.1167 8.0954 8.0954 8.7915 8.7915 9.4488 9.4488 9.4651 9.4651 10.3599 10.3599 10.4644 10.4644 11.2421 11.2421 11.5912 11.5912 12.5716 12.5716 12.9903 12.9903 13.4363 13.4364 k = 0.0000 0.4571-0.0000 ( 3896 PWs) bands (ev): -38.2724 -38.2724 -38.2446 -38.2446 -38.2194 -38.2194 -17.3116 -17.3116 -17.2499 -17.2499 -17.2003 -17.2003 -16.8427 -16.8427 -16.7864 -16.7864 -16.7737 -16.7737 -16.7112 -16.7112 -16.6761 -16.6761 -16.5784 -16.5784 -3.1456 -3.1456 -3.1357 -3.1357 -2.2970 -2.2970 -2.2939 -2.2939 -2.2794 -2.2794 1.2885 1.2885 5.1228 5.1228 8.0999 8.0999 8.7390 8.7390 9.4449 9.4449 9.4615 9.4615 10.3530 10.3530 10.4583 10.4583 11.2477 11.2477 11.6157 11.6157 12.5805 12.5805 12.9814 12.9814 13.4451 13.4453 k = 0.0000 0.4714-0.0000 ( 3900 PWs) bands (ev): -38.2719 -38.2719 -38.2451 -38.2451 -38.2194 -38.2194 -17.3115 -17.3115 -17.2483 -17.2483 -17.2016 -17.2016 -16.8429 -16.8429 -16.7849 -16.7849 -16.7751 -16.7751 -16.7058 -16.7058 -16.6819 -16.6819 -16.5787 -16.5787 -3.1456 -3.1456 -3.1356 -3.1356 -2.2969 -2.2969 -2.2938 -2.2938 -2.2793 -2.2793 1.2960 1.2960 5.1271 5.1271 8.1053 8.1053 8.6990 8.6990 9.4422 9.4422 9.4590 9.4590 10.3480 10.3480 10.4539 10.4539 11.2518 11.2518 11.6338 11.6338 12.5870 12.5870 12.9750 12.9750 13.4515 13.4516 k = 0.0000 0.4857-0.0000 ( 3868 PWs) bands (ev): -38.2716 -38.2716 -38.2454 -38.2454 -38.2194 -38.2194 -17.3113 -17.3113 -17.2472 -17.2472 -17.2024 -17.2024 -16.8430 -16.8430 -16.7835 -16.7835 -16.7762 -16.7762 -16.7004 -16.7004 -16.6874 -16.6874 -16.5789 -16.5789 -3.1454 -3.1454 -3.1352 -3.1352 -2.2967 -2.2967 -2.2934 -2.2934 -2.2788 -2.2788 1.3006 1.3006 5.1296 5.1296 8.1099 8.1099 8.6740 8.6740 9.4406 9.4406 9.4575 9.4575 10.3453 10.3453 10.4515 10.4515 11.2543 11.2543 11.6450 11.6450 12.5910 12.5910 12.9711 12.9711 13.4554 13.4556 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -38.2715 -38.2715 -38.2455 -38.2455 -38.2194 -38.2194 -17.3113 -17.3113 -17.2469 -17.2469 -17.2027 -17.2027 -16.8430 -16.8430 -16.7830 -16.7830 -16.7767 -16.7767 -16.6968 -16.6968 -16.6911 -16.6911 -16.5790 -16.5790 -3.1453 -3.1453 -3.1352 -3.1352 -2.2967 -2.2967 -2.2934 -2.2934 -2.2788 -2.2788 1.3021 1.3021 5.1305 5.1305 8.1116 8.1116 8.6654 8.6654 9.4400 9.4400 9.4570 9.4570 10.3443 10.3443 10.4506 10.4506 11.2551 11.2551 11.6487 11.6487 12.5923 12.5923 12.9698 12.9698 13.4567 13.4568 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -38.2715 -38.2715 -38.2455 -38.2455 -38.2194 -38.2194 -17.3113 -17.3113 -17.2469 -17.2469 -17.2027 -17.2027 -16.8430 -16.8430 -16.7830 -16.7830 -16.7767 -16.7767 -16.6968 -16.6968 -16.6911 -16.6911 -16.5790 -16.5790 -3.1453 -3.1453 -3.1352 -3.1352 -2.2967 -2.2967 -2.2934 -2.2934 -2.2788 -2.2788 1.3021 1.3021 5.1305 5.1305 8.1116 8.1116 8.6654 8.6654 9.4400 9.4400 9.4570 9.4570 10.3443 10.3443 10.4506 10.4506 11.2551 11.2551 11.6487 11.6487 12.5923 12.5923 12.9698 12.9698 13.4566 13.4570 k = 0.0143 0.5000-0.0000 ( 3868 PWs) bands (ev): -38.2714 -38.2714 -38.2455 -38.2455 -38.2194 -38.2194 -17.3112 -17.3112 -17.2470 -17.2470 -17.2027 -17.2027 -16.8430 -16.8430 -16.7839 -16.7839 -16.7757 -16.7757 -16.6980 -16.6980 -16.6899 -16.6899 -16.5790 -16.5790 -3.1453 -3.1453 -3.1352 -3.1352 -2.2967 -2.2967 -2.2934 -2.2934 -2.2788 -2.2788 1.3032 1.3032 5.1316 5.1316 8.1115 8.1115 8.6627 8.6627 9.4382 9.4382 9.4551 9.4551 10.3436 10.3436 10.4499 10.4499 11.2574 11.2574 11.6500 11.6500 12.5925 12.5925 12.9663 12.9663 13.4591 13.4594 k = 0.0286 0.5000-0.0000 ( 3884 PWs) bands (ev): -38.2713 -38.2713 -38.2455 -38.2455 -38.2195 -38.2195 -17.3112 -17.3112 -17.2472 -17.2472 -17.2029 -17.2029 -16.8430 -16.8430 -16.7860 -16.7860 -16.7737 -16.7737 -16.7004 -16.7004 -16.6876 -16.6876 -16.5789 -16.5789 -3.1454 -3.1454 -3.1353 -3.1353 -2.2968 -2.2968 -2.2936 -2.2936 -2.2788 -2.2788 1.3063 1.3063 5.1349 5.1349 8.1113 8.1113 8.6545 8.6545 9.4325 9.4325 9.4496 9.4496 10.3414 10.3414 10.4477 10.4477 11.2641 11.2641 11.6537 11.6537 12.5930 12.5930 12.9559 12.9559 13.4651 13.4653 k = 0.0429 0.5000-0.0000 ( 3888 PWs) bands (ev): -38.2712 -38.2712 -38.2455 -38.2455 -38.2196 -38.2196 -17.3110 -17.3110 -17.2476 -17.2476 -17.2031 -17.2031 -16.8430 -16.8430 -16.7883 -16.7883 -16.7714 -16.7714 -16.7029 -16.7029 -16.6850 -16.6850 -16.5788 -16.5788 -3.1454 -3.1454 -3.1353 -3.1353 -2.2967 -2.2967 -2.2937 -2.2937 -2.2788 -2.2788 1.3116 1.3116 5.1404 5.1404 8.1109 8.1109 8.6411 8.6411 9.4228 9.4228 9.4410 9.4410 10.3377 10.3377 10.4444 10.4444 11.2753 11.2753 11.6600 11.6600 12.5939 12.5939 12.9396 12.9396 13.4738 13.4739 k = 0.0571 0.5000-0.0000 ( 3882 PWs) bands (ev): -38.2710 -38.2710 -38.2455 -38.2455 -38.2198 -38.2198 -17.3106 -17.3106 -17.2481 -17.2481 -17.2034 -17.2034 -16.8429 -16.8429 -16.7907 -16.7907 -16.7690 -16.7690 -16.7055 -16.7055 -16.6824 -16.6824 -16.5786 -16.5786 -3.1452 -3.1452 -3.1353 -3.1353 -2.2965 -2.2965 -2.2936 -2.2936 -2.2787 -2.2787 1.3189 1.3189 5.1480 5.1480 8.1100 8.1100 8.6225 8.6225 9.4091 9.4091 9.4300 9.4300 10.3323 10.3323 10.4400 10.4400 11.2907 11.2907 11.6688 11.6688 12.5949 12.5949 12.9185 12.9185 13.4842 13.4849 k = 0.0714 0.5000-0.0000 ( 3874 PWs) bands (ev): -38.2708 -38.2708 -38.2455 -38.2455 -38.2200 -38.2200 -17.3102 -17.3102 -17.2487 -17.2487 -17.2038 -17.2038 -16.8427 -16.8427 -16.7931 -16.7931 -16.7667 -16.7667 -16.7079 -16.7079 -16.6799 -16.6799 -16.5783 -16.5783 -3.1450 -3.1450 -3.1353 -3.1353 -2.2963 -2.2963 -2.2936 -2.2936 -2.2786 -2.2786 1.3283 1.3283 5.1579 5.1579 8.1084 8.1084 8.5990 8.5990 9.3918 9.3918 9.4169 9.4169 10.3247 10.3247 10.4348 10.4348 11.3102 11.3102 11.6802 11.6802 12.5961 12.5961 12.8937 12.8937 13.4959 13.4961 k = 0.0857 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2705 -38.2705 -38.2455 -38.2455 -38.2203 -38.2203 -17.3098 -17.3098 -17.2495 -17.2495 -17.2043 -17.2043 -16.8426 -16.8426 -16.7955 -16.7955 -16.7646 -16.7646 -16.7102 -16.7102 -16.6776 -16.6776 -16.5780 -16.5780 -3.1449 -3.1449 -3.1354 -3.1354 -2.2962 -2.2962 -2.2937 -2.2937 -2.2787 -2.2787 1.3397 1.3397 5.1699 5.1699 8.1056 8.1056 8.5706 8.5706 9.3715 9.3715 9.4020 9.4020 10.3147 10.3147 10.4292 10.4292 11.3333 11.3333 11.6941 11.6941 12.5973 12.5973 12.8661 12.8661 13.5090 13.5094 k = 0.1000 0.5000-0.0000 ( 3880 PWs) bands (ev): -38.2702 -38.2702 -38.2455 -38.2455 -38.2207 -38.2207 -17.3092 -17.3092 -17.2504 -17.2504 -17.2050 -17.2050 -16.8423 -16.8423 -16.7978 -16.7978 -16.7626 -16.7626 -16.7123 -16.7123 -16.6754 -16.6754 -16.5776 -16.5776 -3.1447 -3.1447 -3.1354 -3.1354 -2.2960 -2.2960 -2.2936 -2.2936 -2.2785 -2.2785 1.3531 1.3531 5.1840 5.1840 8.1011 8.1011 8.5380 8.5380 9.3494 9.3494 9.3854 9.3854 10.3018 10.3018 10.4234 10.4234 11.3600 11.3600 11.7105 11.7105 12.5984 12.5984 12.8368 12.8368 13.5256 13.5435 k = 0.1143 0.5000-0.0000 ( 3880 PWs) bands (ev): -38.2698 -38.2698 -38.2455 -38.2455 -38.2210 -38.2210 -17.3085 -17.3085 -17.2513 -17.2513 -17.2057 -17.2057 -16.8421 -16.8421 -16.7999 -16.7999 -16.7608 -16.7608 -16.7140 -16.7140 -16.6734 -16.6734 -16.5771 -16.5771 -3.1444 -3.1444 -3.1354 -3.1354 -2.2959 -2.2959 -2.2934 -2.2934 -2.2784 -2.2784 1.3683 1.3683 5.2003 5.2003 8.0945 8.0945 8.5012 8.5012 9.3264 9.3264 9.3673 9.3673 10.2859 10.2859 10.4178 10.4178 11.3899 11.3899 11.7295 11.7295 12.5993 12.5993 12.8062 12.8062 13.5299 13.5300 k = 0.1286 0.5000-0.0000 ( 3888 PWs) bands (ev): -38.2693 -38.2693 -38.2455 -38.2455 -38.2215 -38.2215 -17.3078 -17.3078 -17.2524 -17.2524 -17.2065 -17.2065 -16.8418 -16.8418 -16.8021 -16.8021 -16.7594 -16.7594 -16.7154 -16.7154 -16.6716 -16.6716 -16.5765 -16.5765 -3.1443 -3.1443 -3.1355 -3.1355 -2.2959 -2.2959 -2.2933 -2.2933 -2.2783 -2.2783 1.3852 1.3852 5.2186 5.2186 8.0850 8.0850 8.4605 8.4605 9.3034 9.3034 9.3478 9.3478 10.2668 10.2668 10.4125 10.4125 11.4226 11.4226 11.7508 11.7508 12.5998 12.5998 12.7750 12.7750 13.5017 13.5017 k = 0.1429 0.5000-0.0000 ( 3884 PWs) bands (ev): -38.2689 -38.2689 -38.2455 -38.2455 -38.2220 -38.2220 -17.3069 -17.3069 -17.2536 -17.2536 -17.2075 -17.2075 -16.8415 -16.8415 -16.8041 -16.8041 -16.7583 -16.7583 -16.7163 -16.7163 -16.6700 -16.6700 -16.5759 -16.5759 -3.1440 -3.1440 -3.1355 -3.1355 -2.2960 -2.2960 -2.2930 -2.2930 -2.2781 -2.2781 1.4039 1.4039 5.2390 5.2390 8.0720 8.0720 8.4165 8.4165 9.2820 9.2820 9.3273 9.3273 10.2447 10.2447 10.4077 10.4077 11.4579 11.4579 11.7746 11.7746 12.5997 12.5997 12.7437 12.7437 13.4724 13.4724 k = 0.1571 0.5000-0.0000 ( 3880 PWs) bands (ev): -38.2683 -38.2683 -38.2455 -38.2455 -38.2225 -38.2225 -17.3060 -17.3060 -17.2548 -17.2548 -17.2085 -17.2085 -16.8412 -16.8412 -16.8060 -16.8060 -16.7577 -16.7577 -16.7168 -16.7168 -16.6687 -16.6687 -16.5750 -16.5750 -3.1437 -3.1437 -3.1355 -3.1355 -2.2961 -2.2961 -2.2926 -2.2926 -2.2778 -2.2778 1.4242 1.4242 5.2615 5.2615 8.0550 8.0550 8.3692 8.3692 9.2631 9.2631 9.3059 9.3059 10.2197 10.2197 10.4033 10.4033 11.4955 11.4955 11.8005 11.8005 12.5990 12.5990 12.7125 12.7125 13.4429 13.4429 k = 0.1714 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2677 -38.2677 -38.2455 -38.2455 -38.2231 -38.2231 -17.3051 -17.3051 -17.2561 -17.2561 -17.2096 -17.2096 -16.8408 -16.8408 -16.8079 -16.8079 -16.7576 -16.7576 -16.7167 -16.7167 -16.6676 -16.6676 -16.5741 -16.5741 -3.1434 -3.1434 -3.1356 -3.1356 -2.2963 -2.2963 -2.2922 -2.2922 -2.2777 -2.2777 1.4460 1.4460 5.2859 5.2859 8.0334 8.0334 8.3190 8.3190 9.2476 9.2476 9.2839 9.2839 10.1921 10.1921 10.3991 10.3991 11.5351 11.5351 11.8285 11.8285 12.5974 12.5974 12.6817 12.6817 13.4135 13.4135 k = 0.1857 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2671 -38.2671 -38.2455 -38.2455 -38.2237 -38.2237 -17.3040 -17.3040 -17.2575 -17.2575 -17.2109 -17.2109 -16.8404 -16.8404 -16.8095 -16.8095 -16.7579 -16.7579 -16.7162 -16.7162 -16.6668 -16.6668 -16.5731 -16.5731 -3.1431 -3.1431 -3.1357 -3.1357 -2.2965 -2.2965 -2.2917 -2.2917 -2.2774 -2.2774 1.4691 1.4691 5.3122 5.3122 8.0070 8.0070 8.2662 8.2662 9.2364 9.2364 9.2617 9.2617 10.1624 10.1624 10.3953 10.3953 11.5762 11.5762 11.8583 11.8583 12.5948 12.5948 12.6516 12.6516 13.3850 13.3850 k = 0.2000 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2664 -38.2664 -38.2454 -38.2454 -38.2243 -38.2243 -17.3029 -17.3029 -17.2589 -17.2589 -17.2122 -17.2122 -16.8401 -16.8401 -16.8111 -16.8111 -16.7585 -16.7585 -16.7153 -16.7153 -16.6663 -16.6663 -16.5719 -16.5719 -3.1428 -3.1428 -3.1357 -3.1357 -2.2967 -2.2967 -2.2912 -2.2912 -2.2771 -2.2771 1.4934 1.4934 5.3404 5.3404 7.9755 7.9755 8.2111 8.2111 9.2297 9.2297 9.2396 9.2396 10.1310 10.1310 10.3917 10.3917 11.6187 11.6187 11.8899 11.8899 12.5908 12.5908 12.6228 12.6228 13.3576 13.3576 k = 0.2143 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2657 -38.2657 -38.2454 -38.2454 -38.2250 -38.2250 -17.3017 -17.3017 -17.2603 -17.2603 -17.2137 -17.2137 -16.8397 -16.8397 -16.8125 -16.8125 -16.7594 -16.7594 -16.7141 -16.7141 -16.6660 -16.6660 -16.5707 -16.5707 -3.1425 -3.1425 -3.1358 -3.1358 -2.2970 -2.2970 -2.2907 -2.2907 -2.2768 -2.2768 1.5188 1.5188 5.3705 5.3705 7.9391 7.9391 8.1541 8.1541 9.2155 9.2155 9.2303 9.2303 10.0983 10.0983 10.3883 10.3883 11.6623 11.6623 11.9229 11.9229 12.5832 12.5832 12.5976 12.5976 13.3317 13.3317 k = 0.2286 0.5000-0.0000 ( 3880 PWs) bands (ev): -38.2650 -38.2650 -38.2454 -38.2454 -38.2258 -38.2258 -17.3004 -17.3004 -17.2617 -17.2617 -17.2152 -17.2152 -16.8393 -16.8393 -16.8137 -16.8137 -16.7606 -16.7606 -16.7125 -16.7125 -16.6659 -16.6659 -16.5694 -16.5694 -3.1422 -3.1422 -3.1358 -3.1358 -2.2972 -2.2972 -2.2902 -2.2902 -2.2764 -2.2764 1.5450 1.5450 5.4022 5.4022 7.8981 7.8981 8.0954 8.0954 9.1935 9.1935 9.2343 9.2343 10.0646 10.0646 10.3850 10.3850 11.7066 11.7066 11.9572 11.9572 12.5629 12.5629 12.5851 12.5851 13.3075 13.3075 k = 0.2429 0.5000-0.0000 ( 3894 PWs) bands (ev): -38.2642 -38.2642 -38.2454 -38.2454 -38.2266 -38.2266 -17.2991 -17.2991 -17.2631 -17.2631 -17.2168 -17.2168 -16.8390 -16.8390 -16.8147 -16.8147 -16.7620 -16.7620 -16.7109 -16.7109 -16.6661 -16.6661 -16.5680 -16.5680 -3.1419 -3.1419 -3.1359 -3.1359 -2.2976 -2.2976 -2.2898 -2.2898 -2.2761 -2.2761 1.5720 1.5720 5.4356 5.4356 7.8530 7.8530 8.0352 8.0352 9.1715 9.1715 9.2436 9.2436 10.0304 10.0304 10.3818 10.3818 11.7513 11.7513 11.9925 11.9925 12.5377 12.5377 12.5777 12.5777 13.2851 13.2851 k = 0.2571 0.5000-0.0000 ( 3894 PWs) bands (ev): -38.2634 -38.2634 -38.2454 -38.2454 -38.2274 -38.2274 -17.2978 -17.2978 -17.2644 -17.2644 -17.2186 -17.2186 -16.8388 -16.8388 -16.8155 -16.8155 -16.7634 -16.7634 -16.7091 -16.7091 -16.6665 -16.6665 -16.5666 -16.5666 -3.1416 -3.1416 -3.1360 -3.1360 -2.2979 -2.2979 -2.2894 -2.2894 -2.2757 -2.2757 1.5995 1.5995 5.4705 5.4705 7.8046 7.8046 7.9739 7.9739 9.1500 9.1500 9.2578 9.2578 9.9961 9.9961 10.3787 10.3787 11.7964 11.7964 12.0288 12.0288 12.5130 12.5130 12.5703 12.5703 13.2644 13.2644 k = 0.2714 0.5000-0.0000 ( 3882 PWs) bands (ev): -38.2625 -38.2625 -38.2454 -38.2454 -38.2282 -38.2282 -17.2963 -17.2963 -17.2657 -17.2657 -17.2203 -17.2203 -16.8386 -16.8386 -16.8161 -16.8161 -16.7649 -16.7649 -16.7071 -16.7071 -16.6670 -16.6670 -16.5650 -16.5650 -3.1412 -3.1412 -3.1359 -3.1359 -2.2981 -2.2981 -2.2889 -2.2889 -2.2752 -2.2752 1.6273 1.6273 5.5069 5.5069 7.7535 7.7535 7.9118 7.9118 9.1291 9.1291 9.2764 9.2764 9.9621 9.9621 10.3757 10.3757 11.8414 11.8414 12.0657 12.0657 12.4894 12.4894 12.5624 12.5624 13.2453 13.2453 k = 0.2857 0.5000-0.0000 ( 3878 PWs) bands (ev): -38.2616 -38.2616 -38.2454 -38.2454 -38.2291 -38.2291 -17.2949 -17.2949 -17.2670 -17.2670 -17.2222 -17.2222 -16.8385 -16.8385 -16.8164 -16.8164 -16.7665 -16.7665 -16.7052 -16.7052 -16.6678 -16.6678 -16.5635 -16.5635 -3.1409 -3.1409 -3.1360 -3.1360 -2.2984 -2.2984 -2.2884 -2.2884 -2.2748 -2.2748 1.6552 1.6552 5.5445 5.5445 7.7007 7.7007 7.8491 7.8491 9.1090 9.1090 9.2986 9.2986 9.9287 9.9287 10.3728 10.3728 11.8860 11.8860 12.1029 12.1029 12.4672 12.4672 12.5540 12.5540 13.2277 13.2277 k = 0.3000 0.5000-0.0000 ( 3890 PWs) bands (ev): -38.2606 -38.2606 -38.2454 -38.2454 -38.2300 -38.2300 -17.2935 -17.2935 -17.2681 -17.2681 -17.2241 -17.2241 -16.8385 -16.8385 -16.8165 -16.8165 -16.7681 -16.7681 -16.7033 -16.7033 -16.6686 -16.6686 -16.5621 -16.5621 -3.1407 -3.1407 -3.1361 -3.1361 -2.2987 -2.2987 -2.2881 -2.2881 -2.2744 -2.2744 1.6829 1.6829 5.5832 5.5832 7.6469 7.6469 7.7862 7.7862 9.0896 9.0896 9.3238 9.3238 9.8962 9.8962 10.3698 10.3698 11.9300 11.9300 12.1402 12.1402 12.4462 12.4462 12.5453 12.5453 13.2110 13.2110 k = 0.3143 0.5000-0.0000 ( 3878 PWs) bands (ev): -38.2597 -38.2597 -38.2454 -38.2454 -38.2310 -38.2310 -17.2920 -17.2920 -17.2692 -17.2692 -17.2261 -17.2261 -16.8387 -16.8387 -16.8163 -16.8163 -16.7697 -16.7697 -16.7014 -16.7014 -16.6696 -16.6696 -16.5606 -16.5606 -3.1403 -3.1403 -3.1360 -3.1360 -2.2989 -2.2989 -2.2876 -2.2876 -2.2739 -2.2739 1.7103 1.7103 5.6228 5.6228 7.5931 7.5931 7.7236 7.7236 9.0713 9.0713 9.3515 9.3515 9.8649 9.8649 10.3671 10.3671 11.9730 11.9730 12.1775 12.1775 12.4267 12.4267 12.5366 12.5366 13.1948 13.1948 k = 0.3286 0.5000-0.0000 ( 3874 PWs) bands (ev): -38.2587 -38.2587 -38.2454 -38.2454 -38.2320 -38.2320 -17.2906 -17.2906 -17.2701 -17.2701 -17.2281 -17.2281 -16.8389 -16.8389 -16.8159 -16.8159 -16.7712 -16.7712 -16.6996 -16.6996 -16.6706 -16.6706 -16.5591 -16.5591 -3.1400 -3.1400 -3.1360 -3.1360 -2.2991 -2.2991 -2.2873 -2.2873 -2.2734 -2.2734 1.7370 1.7370 5.6630 5.6630 7.5398 7.5398 7.6613 7.6613 9.0540 9.0540 9.3808 9.3808 9.8352 9.8352 10.3645 10.3645 12.0150 12.0150 12.2142 12.2142 12.4085 12.4085 12.5282 12.5282 13.1787 13.1787 k = 0.3429 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2577 -38.2577 -38.2453 -38.2453 -38.2330 -38.2330 -17.2893 -17.2893 -17.2708 -17.2708 -17.2303 -17.2303 -16.8392 -16.8392 -16.8154 -16.8154 -16.7728 -16.7728 -16.6978 -16.6978 -16.6717 -16.6717 -16.5578 -16.5578 -3.1398 -3.1398 -3.1362 -3.1362 -2.2995 -2.2995 -2.2870 -2.2870 -2.2730 -2.2730 1.7629 1.7629 5.7036 5.7036 7.4879 7.4879 7.6001 7.6001 9.0378 9.0378 9.4110 9.4110 9.8072 9.8072 10.3620 10.3620 12.0552 12.0552 12.2502 12.2502 12.3919 12.3919 12.5201 12.5201 13.1618 13.1618 k = 0.3571 0.5000-0.0000 ( 3888 PWs) bands (ev): -38.2566 -38.2566 -38.2453 -38.2453 -38.2340 -38.2340 -17.2881 -17.2881 -17.2714 -17.2714 -17.2324 -17.2324 -16.8395 -16.8395 -16.8146 -16.8146 -16.7743 -16.7743 -16.6961 -16.6961 -16.6729 -16.6729 -16.5565 -16.5565 -3.1396 -3.1396 -3.1362 -3.1362 -2.2998 -2.2998 -2.2868 -2.2868 -2.2726 -2.2726 1.7877 1.7877 5.7443 5.7443 7.4381 7.4381 7.5402 7.5402 9.0228 9.0228 9.4416 9.4416 9.7812 9.7812 10.3596 10.3596 12.0937 12.0937 12.2852 12.2852 12.3766 12.3766 12.5127 12.5127 13.1435 13.1435 k = 0.3714 0.5000-0.0000 ( 3876 PWs) bands (ev): -38.2556 -38.2556 -38.2453 -38.2453 -38.2351 -38.2351 -17.2870 -17.2870 -17.2716 -17.2716 -17.2345 -17.2345 -16.8399 -16.8399 -16.8138 -16.8138 -16.7757 -16.7757 -16.6945 -16.6945 -16.6740 -16.6740 -16.5552 -16.5552 -3.1393 -3.1393 -3.1361 -3.1361 -2.2999 -2.2999 -2.2864 -2.2864 -2.2721 -2.2721 1.8110 1.8110 5.7846 5.7846 7.3911 7.3911 7.4823 7.4823 9.0091 9.0091 9.4717 9.4717 9.7575 9.7575 10.3575 10.3575 12.1300 12.1300 12.3188 12.3188 12.3629 12.3629 12.5062 12.5062 13.1231 13.1231 k = 0.3857 0.5000-0.0000 ( 3878 PWs) bands (ev): -38.2545 -38.2545 -38.2453 -38.2453 -38.2362 -38.2362 -17.2861 -17.2861 -17.2715 -17.2715 -17.2367 -17.2367 -16.8403 -16.8403 -16.8128 -16.8128 -16.7771 -16.7771 -16.6931 -16.6931 -16.6752 -16.6752 -16.5541 -16.5541 -3.1391 -3.1391 -3.1361 -3.1361 -2.3001 -2.3001 -2.2862 -2.2862 -2.2717 -2.2717 1.8328 1.8328 5.8239 5.8239 7.3473 7.3473 7.4269 7.4269 8.9967 8.9967 9.5005 9.5005 9.7364 9.7364 10.3555 10.3555 12.1639 12.1639 12.3499 12.3499 12.3511 12.3511 12.5007 12.5007 13.1003 13.1003 k = 0.4000 0.5000-0.0000 ( 3886 PWs) bands (ev): -38.2534 -38.2534 -38.2453 -38.2453 -38.2373 -38.2373 -17.2855 -17.2855 -17.2711 -17.2711 -17.2388 -17.2388 -16.8407 -16.8407 -16.8119 -16.8119 -16.7784 -16.7784 -16.6917 -16.6917 -16.6764 -16.6764 -16.5531 -16.5531 -3.1390 -3.1390 -3.1362 -3.1362 -2.3004 -2.3004 -2.2861 -2.2861 -2.2714 -2.2714 1.8526 1.8526 5.8618 5.8618 7.3071 7.3071 7.3748 7.3748 8.9856 8.9856 9.5272 9.5272 9.7180 9.7180 10.3537 10.3537 12.1948 12.1948 12.3397 12.3397 12.3798 12.3798 12.4963 12.4963 13.0750 13.0750 k = 0.4143 0.5000-0.0000 ( 3890 PWs) bands (ev): -38.2522 -38.2522 -38.2453 -38.2453 -38.2384 -38.2384 -17.2852 -17.2852 -17.2704 -17.2704 -17.2408 -17.2408 -16.8411 -16.8411 -16.8109 -16.8109 -16.7796 -16.7796 -16.6904 -16.6904 -16.6775 -16.6775 -16.5522 -16.5522 -3.1390 -3.1390 -3.1362 -3.1362 -2.3006 -2.3006 -2.2859 -2.2859 -2.2711 -2.2711 1.8704 1.8704 5.8975 5.8975 7.2712 7.2712 7.3268 7.3268 8.9758 8.9758 9.5509 9.5509 9.7029 9.7029 10.3520 10.3520 12.2225 12.2225 12.3304 12.3304 12.4065 12.4065 12.4931 12.4931 13.0482 13.0482 k = 0.4286 0.5000-0.0000 ( 3892 PWs) bands (ev): -38.2511 -38.2511 -38.2453 -38.2453 -38.2395 -38.2395 -17.2850 -17.2850 -17.2694 -17.2694 -17.2428 -17.2428 -16.8414 -16.8414 -16.8100 -16.8100 -16.7807 -16.7807 -16.6892 -16.6892 -16.6785 -16.6785 -16.5514 -16.5514 -3.1388 -3.1388 -3.1362 -3.1362 -2.3008 -2.3008 -2.2858 -2.2858 -2.2708 -2.2708 1.8858 1.8858 5.9301 5.9301 7.2396 7.2396 7.2840 7.2840 8.9676 8.9676 9.5707 9.5707 9.6915 9.6915 10.3506 10.3506 12.2467 12.2467 12.3225 12.3225 12.4299 12.4299 12.4912 12.4912 13.0213 13.0213 k = 0.4429 0.5000-0.0000 ( 3892 PWs) bands (ev): -38.2500 -38.2500 -38.2453 -38.2453 -38.2407 -38.2407 -17.2849 -17.2849 -17.2683 -17.2683 -17.2447 -17.2447 -16.8417 -16.8417 -16.8091 -16.8091 -16.7817 -16.7817 -16.6881 -16.6881 -16.6795 -16.6795 -16.5508 -16.5508 -3.1387 -3.1387 -3.1362 -3.1362 -2.3009 -2.3009 -2.2856 -2.2856 -2.2706 -2.2706 1.8987 1.8987 5.9588 5.9588 7.2128 7.2128 7.2474 7.2474 8.9609 8.9609 9.5856 9.5856 9.6842 9.6842 10.3495 10.3495 12.2670 12.2670 12.3161 12.3161 12.4495 12.4495 12.4904 12.4904 12.9959 12.9959 k = 0.4571 0.5000-0.0000 ( 3888 PWs) bands (ev): -38.2488 -38.2488 -38.2453 -38.2453 -38.2418 -38.2418 -17.2849 -17.2849 -17.2672 -17.2672 -17.2463 -17.2463 -16.8419 -16.8419 -16.8084 -16.8084 -16.7824 -16.7824 -16.6872 -16.6872 -16.6804 -16.6804 -16.5503 -16.5503 -3.1387 -3.1387 -3.1362 -3.1362 -2.3010 -2.3010 -2.2855 -2.2855 -2.2703 -2.2703 1.9089 1.9089 5.9826 5.9826 7.1907 7.1907 7.2184 7.2184 8.9556 8.9556 9.5952 9.5952 9.6809 9.6809 10.3487 10.3487 12.2831 12.2831 12.3111 12.3111 12.4647 12.4647 12.4909 12.4909 12.9740 12.9740 k = 0.4714 0.5000-0.0000 ( 3892 PWs) bands (ev): -38.2476 -38.2476 -38.2453 -38.2453 -38.2430 -38.2430 -17.2849 -17.2849 -17.2663 -17.2663 -17.2476 -17.2476 -16.8420 -16.8420 -16.8078 -16.8078 -16.7830 -16.7830 -16.6863 -16.6863 -16.6812 -16.6812 -16.5499 -16.5499 -3.1387 -3.1387 -3.1361 -3.1361 -2.3010 -2.3010 -2.2855 -2.2855 -2.2702 -2.2702 1.9163 1.9163 6.0005 6.0005 7.1737 7.1737 7.1978 7.1978 8.9518 8.9518 9.6003 9.6003 9.6806 9.6806 10.3480 10.3480 12.2946 12.2946 12.3077 12.3077 12.4747 12.4747 12.4927 12.4927 12.9570 12.9570 k = 0.4857 0.5000-0.0000 ( 3900 PWs) bands (ev): -38.2465 -38.2465 -38.2453 -38.2453 -38.2441 -38.2441 -17.2850 -17.2850 -17.2656 -17.2656 -17.2486 -17.2486 -16.8422 -16.8422 -16.8075 -16.8075 -16.7834 -16.7834 -16.6857 -16.6857 -16.6819 -16.6819 -16.5497 -16.5497 -3.1387 -3.1387 -3.1362 -3.1362 -2.3011 -2.3011 -2.2855 -2.2855 -2.2703 -2.2703 1.9208 1.9208 6.0116 6.0116 7.1627 7.1627 7.1858 7.1858 8.9495 8.9495 9.6024 9.6024 9.6814 9.6814 10.3476 10.3476 12.3010 12.3010 12.3063 12.3063 12.4795 12.4795 12.4952 12.4952 12.9463 12.9463 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2850 -17.2850 -17.2654 -17.2654 -17.2489 -17.2489 -16.8422 -16.8422 -16.8074 -16.8074 -16.7836 -16.7836 -16.6855 -16.6855 -16.6821 -16.6821 -16.5497 -16.5497 -3.1387 -3.1387 -3.1362 -3.1362 -2.3011 -2.3011 -2.2855 -2.2855 -2.2702 -2.2702 1.9223 1.9223 6.0154 6.0154 7.1588 7.1588 7.1819 7.1819 8.9487 8.9487 9.6030 9.6030 9.6819 9.6819 10.3475 10.3475 12.3023 12.3023 12.3067 12.3067 12.4808 12.4808 12.4964 12.4964 12.9426 12.9426 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2850 -17.2850 -17.2654 -17.2654 -17.2489 -17.2489 -16.8422 -16.8422 -16.8074 -16.8074 -16.7836 -16.7836 -16.6855 -16.6855 -16.6821 -16.6821 -16.5497 -16.5497 -3.1387 -3.1387 -3.1362 -3.1362 -2.3011 -2.3011 -2.2855 -2.2855 -2.2702 -2.2702 1.9223 1.9223 6.0154 6.0154 7.1588 7.1588 7.1819 7.1819 8.9487 8.9487 9.6030 9.6030 9.6819 9.6819 10.3475 10.3475 12.3023 12.3023 12.3067 12.3067 12.4808 12.4808 12.4964 12.4964 12.9426 12.9426 k = 0.4898 0.4898-0.0000 ( 3900 PWs) bands (ev): -38.2465 -38.2465 -38.2453 -38.2453 -38.2441 -38.2441 -17.2850 -17.2850 -17.2656 -17.2656 -17.2485 -17.2485 -16.8422 -16.8422 -16.8075 -16.8075 -16.7834 -16.7834 -16.6857 -16.6857 -16.6819 -16.6819 -16.5497 -16.5497 -3.1387 -3.1387 -3.1362 -3.1362 -2.3011 -2.3011 -2.2855 -2.2855 -2.2703 -2.2703 1.9208 1.9208 6.0115 6.0115 7.1626 7.1626 7.1861 7.1861 8.9495 8.9495 9.6024 9.6024 9.6814 9.6814 10.3476 10.3476 12.3009 12.3009 12.3063 12.3063 12.4793 12.4793 12.4953 12.4953 12.9464 12.9464 k = 0.4796 0.4796-0.0000 ( 3900 PWs) bands (ev): -38.2477 -38.2477 -38.2452 -38.2452 -38.2430 -38.2430 -17.2849 -17.2849 -17.2663 -17.2663 -17.2476 -17.2476 -16.8421 -16.8421 -16.8079 -16.8079 -16.7831 -16.7831 -16.6864 -16.6864 -16.6812 -16.6812 -16.5499 -16.5499 -3.1387 -3.1387 -3.1362 -3.1362 -2.3011 -2.3011 -2.2856 -2.2856 -2.2704 -2.2704 1.9162 1.9162 6.0002 6.0002 7.1718 7.1718 7.2004 7.2004 8.9518 8.9518 9.6005 9.6005 9.6803 9.6803 10.3480 10.3480 12.2945 12.2945 12.3077 12.3077 12.4729 12.4729 12.4942 12.4942 12.9575 12.9575 k = 0.4694 0.4694-0.0000 ( 3888 PWs) bands (ev): -38.2490 -38.2490 -38.2451 -38.2451 -38.2419 -38.2419 -17.2848 -17.2848 -17.2674 -17.2674 -17.2462 -17.2462 -16.8419 -16.8419 -16.8084 -16.8084 -16.7824 -16.7824 -16.6871 -16.6871 -16.6804 -16.6804 -16.5503 -16.5503 -3.1387 -3.1387 -3.1361 -3.1361 -2.3010 -2.3010 -2.2856 -2.2856 -2.2703 -2.2703 1.9086 1.9086 5.9821 5.9821 7.1834 7.1834 7.2271 7.2271 8.9557 8.9557 9.5964 9.5964 9.6796 9.6796 10.3487 10.3487 12.2829 12.2829 12.3111 12.3111 12.4594 12.4594 12.4955 12.4955 12.9756 12.9756 k = 0.4592 0.4592-0.0000 ( 3876 PWs) bands (ev): -38.2502 -38.2502 -38.2449 -38.2449 -38.2408 -38.2408 -17.2848 -17.2848 -17.2686 -17.2686 -17.2444 -17.2444 -16.8416 -16.8416 -16.8091 -16.8091 -16.7816 -16.7816 -16.6881 -16.6881 -16.6795 -16.6795 -16.5508 -16.5508 -3.1386 -3.1386 -3.1361 -3.1361 -2.3008 -2.3008 -2.2856 -2.2856 -2.2704 -2.2704 1.8980 1.8980 5.9581 5.9581 7.1973 7.1973 7.2655 7.2655 8.9612 8.9612 9.5890 9.5890 9.6807 9.6807 10.3497 10.3497 12.2667 12.2667 12.3160 12.3160 12.4395 12.4395 12.4988 12.4988 13.0002 13.0002 k = 0.4490 0.4490-0.0000 ( 3872 PWs) bands (ev): -38.2515 -38.2515 -38.2446 -38.2446 -38.2398 -38.2398 -17.2847 -17.2847 -17.2700 -17.2700 -17.2424 -17.2424 -16.8413 -16.8413 -16.8100 -16.8100 -16.7807 -16.7807 -16.6891 -16.6891 -16.6785 -16.6785 -16.5514 -16.5514 -3.1387 -3.1387 -3.1361 -3.1361 -2.3006 -2.3006 -2.2856 -2.2856 -2.2707 -2.2707 1.8846 1.8846 5.9293 5.9293 7.2141 7.2141 7.3135 7.3135 8.9681 8.9681 9.5776 9.5776 9.6847 9.6847 10.3510 10.3510 12.2463 12.2463 12.3223 12.3223 12.4142 12.4142 12.5035 12.5035 13.0305 13.0306 k = 0.4388 0.4388-0.0000 ( 3870 PWs) bands (ev): -38.2528 -38.2528 -38.2444 -38.2444 -38.2387 -38.2387 -17.2847 -17.2847 -17.2715 -17.2715 -17.2401 -17.2401 -16.8409 -16.8409 -16.8109 -16.8109 -16.7797 -16.7797 -16.6901 -16.6901 -16.6775 -16.6775 -16.5521 -16.5521 -3.1388 -3.1388 -3.1361 -3.1361 -2.3005 -2.3005 -2.2858 -2.2858 -2.2709 -2.2709 1.8683 1.8683 5.8968 5.8968 7.2342 7.2342 7.3699 7.3699 8.9765 8.9765 9.5623 9.5623 9.6918 9.6918 10.3526 10.3526 12.2221 12.2221 12.3300 12.3300 12.3842 12.3842 12.5095 12.5095 13.0657 13.0657 k = 0.4286 0.4286-0.0000 ( 3870 PWs) bands (ev): -38.2542 -38.2542 -38.2440 -38.2440 -38.2377 -38.2377 -17.2846 -17.2846 -17.2730 -17.2730 -17.2377 -17.2377 -16.8405 -16.8405 -16.8119 -16.8119 -16.7787 -16.7787 -16.6913 -16.6913 -16.6764 -16.6764 -16.5529 -16.5529 -3.1390 -3.1390 -3.1361 -3.1361 -2.3003 -2.3003 -2.2860 -2.2860 -2.2713 -2.2713 1.8493 1.8493 5.8612 5.8612 7.2577 7.2577 7.4333 7.4333 8.9865 8.9865 9.5439 9.5439 9.7020 9.7020 10.3545 10.3545 12.1944 12.1944 12.3390 12.3390 12.3502 12.3502 12.5167 12.5167 13.1048 13.1048 k = 0.4184 0.4184-0.0000 ( 3870 PWs) bands (ev): -38.2555 -38.2555 -38.2436 -38.2436 -38.2368 -38.2368 -17.2847 -17.2847 -17.2745 -17.2745 -17.2351 -17.2351 -16.8400 -16.8400 -16.8130 -16.8130 -16.7777 -16.7777 -16.6926 -16.6926 -16.6753 -16.6753 -16.5537 -16.5537 -3.1391 -3.1391 -3.1361 -3.1361 -2.3001 -2.3001 -2.2862 -2.2862 -2.2717 -2.2717 1.8277 1.8277 5.8235 5.8235 7.2846 7.2846 7.5029 7.5029 8.9979 8.9979 9.5233 9.5233 9.7149 9.7149 10.3568 10.3568 12.1636 12.1636 12.3126 12.3126 12.3494 12.3494 12.5249 12.5249 13.1468 13.1468 k = 0.4082 0.4082-0.0000 ( 3862 PWs) bands (ev): -38.2569 -38.2569 -38.2432 -38.2432 -38.2359 -38.2359 -17.2848 -17.2848 -17.2760 -17.2760 -17.2324 -17.2324 -16.8394 -16.8394 -16.8140 -16.8140 -16.7767 -16.7767 -16.6939 -16.6939 -16.6739 -16.6739 -16.5546 -16.5546 -3.1392 -3.1392 -3.1361 -3.1361 -2.2999 -2.2999 -2.2863 -2.2863 -2.2721 -2.2721 1.8037 1.8037 5.7842 5.7842 7.3147 7.3147 7.5777 7.5777 9.0107 9.0107 9.5014 9.5014 9.7304 9.7304 10.3596 10.3596 12.1301 12.1301 12.2720 12.2720 12.3610 12.3610 12.5341 12.5341 13.1905 13.1905 k = 0.3980 0.3980-0.0000 ( 3864 PWs) bands (ev): -38.2583 -38.2583 -38.2427 -38.2427 -38.2350 -38.2350 -17.2850 -17.2850 -17.2774 -17.2774 -17.2297 -17.2297 -16.8388 -16.8388 -16.8150 -16.8150 -16.7757 -16.7757 -16.6954 -16.6954 -16.6725 -16.6725 -16.5555 -16.5555 -3.1395 -3.1395 -3.1362 -3.1362 -2.2997 -2.2997 -2.2866 -2.2866 -2.2727 -2.2727 1.7774 1.7774 5.7438 5.7438 7.3483 7.3483 7.6571 7.6571 9.0248 9.0248 9.4788 9.4788 9.7481 9.7481 10.3627 10.3627 12.0943 12.0943 12.2287 12.2287 12.3739 12.3739 12.5443 12.5443 13.2346 13.2346 k = 0.3878 0.3878-0.0000 ( 3870 PWs) bands (ev): -38.2597 -38.2597 -38.2422 -38.2422 -38.2341 -38.2341 -17.2853 -17.2853 -17.2787 -17.2787 -17.2268 -17.2268 -16.8382 -16.8382 -16.8159 -16.8159 -16.7748 -16.7748 -16.6971 -16.6971 -16.6710 -16.6710 -16.5565 -16.5565 -3.1397 -3.1397 -3.1363 -3.1363 -2.2996 -2.2996 -2.2869 -2.2869 -2.2733 -2.2733 1.7489 1.7489 5.7028 5.7028 7.3851 7.3851 7.7404 7.7404 9.0404 9.0404 9.4562 9.4562 9.7680 9.7680 10.3664 10.3664 12.0564 12.0564 12.1833 12.1833 12.3879 12.3879 12.5553 12.5553 13.2778 13.2778 k = 0.3776 0.3776-0.0000 ( 3876 PWs) bands (ev): -38.2611 -38.2611 -38.2417 -38.2417 -38.2332 -38.2332 -17.2859 -17.2859 -17.2799 -17.2799 -17.2238 -17.2238 -16.8375 -16.8375 -16.8168 -16.8168 -16.7740 -16.7740 -16.6990 -16.6990 -16.6693 -16.6693 -16.5573 -16.5573 -3.1400 -3.1400 -3.1365 -3.1365 -2.2994 -2.2994 -2.2872 -2.2872 -2.2740 -2.2740 1.7184 1.7184 5.6613 5.6613 7.4251 7.4251 7.8272 7.8272 9.0572 9.0572 9.4344 9.4344 9.7899 9.7899 10.3705 10.3705 12.0169 12.0169 12.1359 12.1359 12.4031 12.4031 12.5671 12.5671 13.3187 13.3187 k = 0.3673 0.3673-0.0000 ( 3878 PWs) bands (ev): -38.2625 -38.2625 -38.2411 -38.2411 -38.2324 -38.2324 -17.2867 -17.2867 -17.2809 -17.2809 -17.2208 -17.2208 -16.8367 -16.8367 -16.8177 -16.8177 -16.7733 -16.7733 -16.7010 -16.7010 -16.6673 -16.6673 -16.5581 -16.5581 -3.1403 -3.1403 -3.1366 -3.1366 -2.2993 -2.2993 -2.2875 -2.2875 -2.2747 -2.2747 1.6862 1.6862 5.6196 5.6196 7.4682 7.4682 7.9169 7.9169 9.0753 9.0753 9.4139 9.4139 9.8137 9.8137 10.3752 10.3752 11.9761 11.9761 12.0871 12.0871 12.4194 12.4194 12.5797 12.5797 13.3554 13.3554 k = 0.3571 0.3571-0.0000 ( 3868 PWs) bands (ev): -38.2640 -38.2640 -38.2405 -38.2405 -38.2317 -38.2317 -17.2877 -17.2877 -17.2818 -17.2818 -17.2177 -17.2177 -16.8359 -16.8359 -16.8185 -16.8185 -16.7727 -16.7727 -16.7032 -16.7032 -16.6652 -16.6652 -16.5588 -16.5588 -3.1405 -3.1405 -3.1367 -3.1367 -2.2990 -2.2990 -2.2877 -2.2877 -2.2753 -2.2753 1.6524 1.6524 5.5778 5.5778 7.5144 7.5144 8.0092 8.0092 9.0946 9.0946 9.3953 9.3953 9.8395 9.8395 10.3806 10.3806 11.9343 11.9343 12.0371 12.0371 12.4367 12.4367 12.5930 12.5930 13.3860 13.3860 k = 0.3469 0.3469-0.0000 ( 3878 PWs) bands (ev): -38.2654 -38.2654 -38.2398 -38.2398 -38.2309 -38.2309 -17.2889 -17.2889 -17.2825 -17.2825 -17.2146 -17.2146 -16.8351 -16.8351 -16.8192 -16.8192 -16.7722 -16.7722 -16.7056 -16.7056 -16.6628 -16.6628 -16.5595 -16.5595 -3.1409 -3.1409 -3.1369 -3.1369 -2.2989 -2.2989 -2.2882 -2.2882 -2.2761 -2.2761 1.6171 1.6171 5.5360 5.5360 7.5636 7.5636 8.1036 8.1036 9.1150 9.1150 9.3792 9.3792 9.8668 9.8668 10.3865 10.3865 11.8915 11.8915 11.9861 11.9861 12.4550 12.4550 12.6067 12.6067 13.4080 13.4081 k = 0.3367 0.3367-0.0000 ( 3882 PWs) bands (ev): -38.2668 -38.2668 -38.2391 -38.2391 -38.2302 -38.2302 -17.2902 -17.2902 -17.2832 -17.2832 -17.2115 -17.2115 -16.8342 -16.8342 -16.8199 -16.8199 -16.7718 -16.7718 -16.7082 -16.7082 -16.6603 -16.6603 -16.5600 -16.5600 -3.1412 -3.1412 -3.1371 -3.1371 -2.2988 -2.2988 -2.2886 -2.2886 -2.2770 -2.2770 1.5805 1.5805 5.4944 5.4944 7.6156 7.6156 8.1996 8.1996 9.1365 9.1365 9.3659 9.3659 9.8960 9.8960 10.3932 10.3932 11.8482 11.8482 11.9344 11.9344 12.4743 12.4743 12.6210 12.6210 13.4191 13.4191 k = 0.3265 0.3265-0.0000 ( 3878 PWs) bands (ev): -38.2683 -38.2683 -38.2384 -38.2384 -38.2295 -38.2295 -17.2916 -17.2916 -17.2839 -17.2839 -17.2084 -17.2084 -16.8333 -16.8333 -16.8204 -16.8204 -16.7715 -16.7715 -16.7109 -16.7109 -16.6575 -16.6575 -16.5604 -16.5604 -3.1415 -3.1415 -3.1373 -3.1373 -2.2987 -2.2987 -2.2889 -2.2889 -2.2777 -2.2777 1.5430 1.5430 5.4530 5.4530 7.6704 7.6704 8.2967 8.2967 9.1589 9.1589 9.3561 9.3561 9.9267 9.9267 10.4006 10.4006 11.8046 11.8046 11.8822 11.8822 12.4943 12.4943 12.6358 12.6358 13.4174 13.4174 k = 0.3163 0.3163-0.0000 ( 3870 PWs) bands (ev): -38.2697 -38.2697 -38.2377 -38.2377 -38.2288 -38.2288 -17.2930 -17.2930 -17.2846 -17.2846 -17.2053 -17.2053 -16.8323 -16.8323 -16.8209 -16.8209 -16.7713 -16.7713 -16.7138 -16.7138 -16.6545 -16.6545 -16.5607 -16.5607 -3.1418 -3.1418 -3.1375 -3.1375 -2.2985 -2.2985 -2.2893 -2.2893 -2.2786 -2.2786 1.5045 1.5045 5.4118 5.4118 7.7280 7.7280 8.3945 8.3945 9.1823 9.1823 9.3502 9.3502 9.9590 9.9590 10.4088 10.4088 11.7608 11.7608 11.8297 11.8297 12.5152 12.5152 12.6508 12.6508 13.4023 13.4023 k = 0.3061 0.3061-0.0000 ( 3866 PWs) bands (ev): -38.2711 -38.2711 -38.2369 -38.2369 -38.2282 -38.2282 -17.2944 -17.2944 -17.2854 -17.2854 -17.2023 -17.2023 -16.8314 -16.8314 -16.8213 -16.8213 -16.7712 -16.7712 -16.7168 -16.7168 -16.6512 -16.6512 -16.5609 -16.5609 -3.1421 -3.1421 -3.1378 -3.1378 -2.2984 -2.2984 -2.2897 -2.2897 -2.2795 -2.2795 1.4654 1.4654 5.3709 5.3709 7.7881 7.7881 8.4921 8.4921 9.2065 9.2065 9.3490 9.3490 9.9927 9.9927 10.4179 10.4179 11.7170 11.7170 11.7770 11.7770 12.5368 12.5368 12.6661 12.6661 13.3753 13.3753 k = 0.2959 0.2959-0.0000 ( 3874 PWs) bands (ev): -38.2725 -38.2725 -38.2361 -38.2361 -38.2276 -38.2276 -17.2959 -17.2959 -17.2863 -17.2863 -17.1993 -17.1993 -16.8305 -16.8305 -16.8216 -16.8216 -16.7713 -16.7713 -16.7199 -16.7199 -16.6478 -16.6478 -16.5610 -16.5610 -3.1426 -3.1426 -3.1381 -3.1381 -2.2984 -2.2984 -2.2901 -2.2901 -2.2804 -2.2804 1.4257 1.4257 5.3303 5.3303 7.8506 7.8506 8.5888 8.5888 9.2313 9.2313 9.3530 9.3530 10.0276 10.0276 10.4277 10.4277 11.6734 11.6734 11.7243 11.7243 12.5590 12.5590 12.6815 12.6815 13.3388 13.3388 k = 0.2857 0.2857-0.0000 ( 3874 PWs) bands (ev): -38.2739 -38.2739 -38.2353 -38.2353 -38.2270 -38.2270 -17.2973 -17.2973 -17.2872 -17.2872 -17.1964 -17.1964 -16.8296 -16.8296 -16.8219 -16.8219 -16.7715 -16.7715 -16.7231 -16.7231 -16.6442 -16.6442 -16.5610 -16.5610 -3.1430 -3.1430 -3.1385 -3.1385 -2.2983 -2.2983 -2.2906 -2.2906 -2.2814 -2.2814 1.3857 1.3857 5.2901 5.2901 7.9154 7.9154 8.6835 8.6835 9.2567 9.2567 9.3634 9.3634 10.0636 10.0636 10.4385 10.4385 11.6301 11.6301 11.6717 11.6717 12.5818 12.5818 12.6970 12.6970 13.2956 13.2956 k = 0.2755 0.2755-0.0000 ( 3866 PWs) bands (ev): -38.2753 -38.2753 -38.2345 -38.2345 -38.2264 -38.2264 -17.2987 -17.2987 -17.2882 -17.2882 -17.1936 -17.1936 -16.8287 -16.8287 -16.8220 -16.8220 -16.7717 -16.7717 -16.7262 -16.7262 -16.6403 -16.6403 -16.5608 -16.5608 -3.1433 -3.1433 -3.1388 -3.1388 -2.2983 -2.2983 -2.2910 -2.2910 -2.2823 -2.2823 1.3456 1.3456 5.2504 5.2504 7.9825 7.9825 8.7747 8.7747 9.2826 9.2826 9.3814 9.3814 10.1007 10.1007 10.4503 10.4503 11.5873 11.5873 11.6196 11.6196 12.6051 12.6051 12.7126 12.7126 13.2479 13.2479 k = 0.2653 0.2653-0.0000 ( 3874 PWs) bands (ev): -38.2767 -38.2767 -38.2337 -38.2337 -38.2259 -38.2259 -17.3002 -17.3002 -17.2894 -17.2894 -17.1909 -17.1909 -16.8279 -16.8279 -16.8221 -16.8221 -16.7721 -16.7721 -16.7294 -16.7294 -16.6363 -16.6363 -16.5606 -16.5606 -3.1438 -3.1438 -3.1393 -3.1393 -2.2984 -2.2984 -2.2916 -2.2916 -2.2834 -2.2834 1.3054 1.3054 5.2112 5.2112 8.0516 8.0516 8.8607 8.8607 9.3089 9.3089 9.4083 9.4083 10.1385 10.1385 10.4631 10.4631 11.5450 11.5450 11.5678 11.5678 12.6287 12.6287 12.7281 12.7281 13.1976 13.1976 k = 0.2551 0.2551-0.0000 ( 3874 PWs) bands (ev): -38.2781 -38.2781 -38.2329 -38.2329 -38.2254 -38.2254 -17.3016 -17.3016 -17.2906 -17.2906 -17.1883 -17.1883 -16.8271 -16.8271 -16.8221 -16.8221 -16.7727 -16.7727 -16.7324 -16.7324 -16.6322 -16.6322 -16.5603 -16.5603 -3.1442 -3.1442 -3.1398 -3.1398 -2.2984 -2.2984 -2.2921 -2.2921 -2.2845 -2.2845 1.2654 1.2654 5.1725 5.1725 8.1227 8.1227 8.9396 8.9396 9.3355 9.3355 9.4457 9.4457 10.1769 10.1769 10.4769 10.4769 11.5032 11.5032 11.5168 11.5168 12.6525 12.6525 12.7438 12.7438 13.1462 13.1462 k = 0.2449 0.2449-0.0000 ( 3874 PWs) bands (ev): -38.2794 -38.2794 -38.2321 -38.2321 -38.2249 -38.2249 -17.3030 -17.3030 -17.2919 -17.2919 -17.1858 -17.1858 -16.8265 -16.8265 -16.8220 -16.8220 -16.7733 -16.7733 -16.7353 -16.7353 -16.6279 -16.6279 -16.5599 -16.5599 -3.1446 -3.1446 -3.1403 -3.1403 -2.2985 -2.2985 -2.2926 -2.2926 -2.2855 -2.2855 1.2257 1.2257 5.1345 5.1345 8.1955 8.1955 9.0097 9.0097 9.3623 9.3623 9.4948 9.4948 10.2157 10.2157 10.4918 10.4918 11.4610 11.4610 11.4678 11.4678 12.6763 12.6763 12.7594 12.7594 13.0951 13.0951 k = 0.2347 0.2347-0.0000 ( 3874 PWs) bands (ev): -38.2807 -38.2807 -38.2312 -38.2312 -38.2244 -38.2244 -17.3043 -17.3043 -17.2932 -17.2932 -17.1834 -17.1834 -16.8259 -16.8259 -16.8219 -16.8219 -16.7741 -16.7741 -16.7380 -16.7380 -16.6234 -16.6234 -16.5594 -16.5594 -3.1450 -3.1450 -3.1408 -3.1408 -2.2986 -2.2986 -2.2931 -2.2931 -2.2866 -2.2866 1.1865 1.1865 5.0972 5.0972 8.2698 8.2698 9.0704 9.0704 9.3892 9.3892 9.5558 9.5558 10.2548 10.2548 10.5077 10.5077 11.4141 11.4141 11.4251 11.4251 12.7000 12.7000 12.7752 12.7752 13.0454 13.0454 k = 0.2245 0.2245-0.0000 ( 3876 PWs) bands (ev): -38.2820 -38.2820 -38.2304 -38.2304 -38.2240 -38.2240 -17.3056 -17.3056 -17.2947 -17.2947 -17.1812 -17.1812 -16.8254 -16.8254 -16.8217 -16.8217 -16.7751 -16.7751 -16.7405 -16.7405 -16.6189 -16.6189 -16.5589 -16.5589 -3.1454 -3.1454 -3.1413 -3.1413 -2.2987 -2.2987 -2.2937 -2.2937 -2.2877 -2.2877 1.1480 1.1480 5.0608 5.0608 8.3457 8.3457 9.1227 9.1227 9.4159 9.4159 9.6274 9.6274 10.2936 10.2936 10.5248 10.5248 11.3655 11.3655 11.3861 11.3861 12.7230 12.7230 12.7914 12.7914 12.9982 12.9982 k = 0.2143 0.2143-0.0000 ( 3876 PWs) bands (ev): -38.2832 -38.2832 -38.2296 -38.2296 -38.2236 -38.2236 -17.3069 -17.3069 -17.2962 -17.2962 -17.1790 -17.1790 -16.8251 -16.8251 -16.8213 -16.8213 -16.7763 -16.7763 -16.7426 -16.7426 -16.6143 -16.6143 -16.5583 -16.5583 -3.1458 -3.1458 -3.1419 -3.1419 -2.2988 -2.2988 -2.2943 -2.2943 -2.2887 -2.2887 1.1102 1.1102 5.0251 5.0251 8.4228 8.4228 9.1681 9.1681 9.4425 9.4425 9.7075 9.7075 10.3321 10.3321 10.5429 10.5429 11.3174 11.3174 11.3485 11.3485 12.7449 12.7449 12.8083 12.8083 12.9546 12.9546 k = 0.2041 0.2041-0.0000 ( 3872 PWs) bands (ev): -38.2844 -38.2844 -38.2288 -38.2288 -38.2232 -38.2232 -17.3082 -17.3082 -17.2977 -17.2977 -17.1770 -17.1770 -16.8248 -16.8248 -16.8210 -16.8210 -16.7777 -16.7777 -16.7445 -16.7445 -16.6097 -16.6097 -16.5577 -16.5577 -3.1462 -3.1462 -3.1424 -3.1424 -2.2989 -2.2989 -2.2948 -2.2948 -2.2898 -2.2898 1.0733 1.0733 4.9905 4.9905 8.5009 8.5009 9.2088 9.2088 9.4686 9.4686 9.7932 9.7932 10.3698 10.3698 10.5621 10.5621 11.2702 11.2702 11.3123 11.3123 12.7643 12.7643 12.8261 12.8261 12.9164 12.9164 k = 0.1939 0.1939-0.0000 ( 3870 PWs) bands (ev): -38.2856 -38.2856 -38.2280 -38.2280 -38.2228 -38.2228 -17.3094 -17.3094 -17.2994 -17.2994 -17.1752 -17.1752 -16.8246 -16.8246 -16.8207 -16.8207 -16.7791 -16.7791 -16.7460 -16.7460 -16.6050 -16.6050 -16.5570 -16.5570 -3.1466 -3.1466 -3.1431 -3.1431 -2.2991 -2.2991 -2.2954 -2.2954 -2.2909 -2.2909 1.0375 1.0375 4.9569 4.9569 8.5800 8.5800 9.2464 9.2464 9.4942 9.4942 9.8820 9.8820 10.4064 10.4064 10.5824 10.5824 11.2242 11.2242 11.2774 11.2774 12.7789 12.7789 12.8447 12.8447 12.8870 12.8870 k = 0.1837 0.1837-0.0000 ( 3878 PWs) bands (ev): -38.2868 -38.2868 -38.2273 -38.2273 -38.2225 -38.2225 -17.3106 -17.3106 -17.3010 -17.3010 -17.1735 -17.1735 -16.8245 -16.8245 -16.8204 -16.8204 -16.7808 -16.7808 -16.7472 -16.7472 -16.6004 -16.6004 -16.5564 -16.5564 -3.1470 -3.1470 -3.1438 -3.1438 -2.2993 -2.2993 -2.2960 -2.2960 -2.2920 -2.2920 1.0027 1.0027 4.9243 4.9243 8.6596 8.6596 9.2822 9.2822 9.5191 9.5191 9.9720 9.9720 10.4415 10.4415 10.6035 10.6035 11.1795 11.1795 11.2439 11.2439 12.7838 12.7838 12.8591 12.8591 12.8771 12.8771 k = 0.1735 0.1735-0.0000 ( 3876 PWs) bands (ev): -38.2878 -38.2878 -38.2265 -38.2265 -38.2222 -38.2222 -17.3117 -17.3117 -17.3027 -17.3027 -17.1719 -17.1719 -16.8243 -16.8243 -16.8202 -16.8202 -16.7825 -16.7825 -16.7481 -16.7481 -16.5958 -16.5958 -16.5557 -16.5557 -3.1474 -3.1474 -3.1444 -3.1444 -2.2995 -2.2995 -2.2965 -2.2965 -2.2930 -2.2930 0.9692 0.9692 4.8930 4.8930 8.7397 8.7397 9.3171 9.3171 9.5431 9.5431 10.0614 10.0614 10.4748 10.4748 10.6256 10.6256 11.1361 11.1361 11.2119 11.2119 12.7766 12.7766 12.8649 12.8649 12.8947 12.8947 k = 0.1633 0.1633-0.0000 ( 3868 PWs) bands (ev): -38.2889 -38.2889 -38.2258 -38.2258 -38.2219 -38.2219 -17.3128 -17.3128 -17.3044 -17.3044 -17.1704 -17.1704 -16.8242 -16.8242 -16.8201 -16.8201 -16.7842 -16.7842 -16.7487 -16.7487 -16.5912 -16.5912 -16.5550 -16.5550 -3.1477 -3.1477 -3.1449 -3.1449 -2.2997 -2.2997 -2.2969 -2.2969 -2.2940 -2.2940 0.9371 0.9371 4.8630 4.8630 8.8201 8.8201 9.3516 9.3516 9.5663 9.5663 10.1486 10.1486 10.5056 10.5056 10.6483 10.6483 11.0944 11.0944 11.1814 11.1814 12.7642 12.7642 12.8771 12.8771 12.9189 12.9189 k = 0.1531 0.1531-0.0000 ( 3872 PWs) bands (ev): -38.2899 -38.2899 -38.2251 -38.2251 -38.2216 -38.2216 -17.3138 -17.3138 -17.3061 -17.3061 -17.1691 -17.1691 -16.8242 -16.8242 -16.8201 -16.8201 -16.7860 -16.7860 -16.7491 -16.7491 -16.5867 -16.5867 -16.5544 -16.5544 -3.1481 -3.1481 -3.1455 -3.1455 -2.3000 -2.3000 -2.2975 -2.2975 -2.2950 -2.2950 0.9064 0.9064 4.8344 4.8344 8.9003 8.9003 9.3859 9.3859 9.5884 9.5884 10.2322 10.2322 10.5337 10.5337 10.6717 10.6717 11.0547 11.0547 11.1525 11.1525 12.7538 12.7538 12.8939 12.8939 12.9449 12.9449 k = 0.1429 0.1429-0.0000 ( 3874 PWs) bands (ev): -38.2908 -38.2908 -38.2244 -38.2244 -38.2213 -38.2213 -17.3148 -17.3148 -17.3078 -17.3078 -17.1679 -17.1679 -16.8242 -16.8242 -16.8201 -16.8201 -16.7876 -16.7876 -16.7494 -16.7494 -16.5824 -16.5824 -16.5537 -16.5537 -3.1485 -3.1485 -3.1461 -3.1461 -2.3003 -2.3003 -2.2979 -2.2979 -2.2960 -2.2960 0.8773 0.8773 4.8072 4.8072 8.9802 8.9802 9.4201 9.4201 9.6094 9.6094 10.3109 10.3109 10.5585 10.5585 10.6956 10.6956 11.0172 11.0172 11.1252 11.1252 12.7487 12.7487 12.9136 12.9136 12.9723 12.9723 k = 0.1327 0.1327-0.0000 ( 3870 PWs) bands (ev): -38.2917 -38.2917 -38.2238 -38.2238 -38.2211 -38.2211 -17.3157 -17.3157 -17.3094 -17.3094 -17.1668 -17.1668 -16.8241 -16.8241 -16.8202 -16.8202 -16.7892 -16.7892 -16.7494 -16.7494 -16.5782 -16.5782 -16.5530 -16.5530 -3.1488 -3.1488 -3.1467 -3.1467 -2.3006 -2.3006 -2.2984 -2.2984 -2.2969 -2.2969 0.8498 0.8498 4.7816 4.7816 9.0595 9.0595 9.4543 9.4543 9.6292 9.6292 10.3833 10.3833 10.5796 10.5796 10.7197 10.7197 10.9826 10.9826 11.0996 11.0996 12.7503 12.7503 12.9359 12.9359 13.0010 13.0010 k = 0.1224 0.1224-0.0000 ( 3870 PWs) bands (ev): -38.2925 -38.2925 -38.2232 -38.2232 -38.2208 -38.2208 -17.3166 -17.3166 -17.3110 -17.3110 -17.1658 -17.1658 -16.8241 -16.8241 -16.8205 -16.8205 -16.7906 -16.7906 -16.7494 -16.7494 -16.5742 -16.5742 -16.5524 -16.5524 -3.1491 -3.1491 -3.1473 -3.1473 -2.3009 -2.3009 -2.2988 -2.2988 -2.2977 -2.2977 0.8240 0.8240 4.7575 4.7575 9.1377 9.1377 9.4882 9.4882 9.6476 9.6476 10.4479 10.4479 10.5967 10.5967 10.7440 10.7440 10.9515 10.9515 11.0757 11.0757 12.7592 12.7592 12.9607 12.9607 13.0309 13.0309 k = 0.1122 0.1122-0.0000 ( 3862 PWs) bands (ev): -38.2933 -38.2933 -38.2227 -38.2227 -38.2206 -38.2206 -17.3174 -17.3174 -17.3125 -17.3125 -17.1649 -17.1649 -16.8241 -16.8241 -16.8208 -16.8208 -16.7919 -16.7919 -16.7493 -16.7493 -16.5704 -16.5704 -16.5518 -16.5518 -3.1494 -3.1494 -3.1477 -3.1477 -2.3012 -2.3012 -2.2991 -2.2991 -2.2984 -2.2984 0.8001 0.8001 4.7352 4.7352 9.2145 9.2145 9.5217 9.5217 9.6648 9.6648 10.5033 10.5033 10.6096 10.6096 10.7680 10.7680 10.9251 10.9251 11.0536 11.0536 12.7758 12.7758 12.9882 12.9882 13.0622 13.0622 k = 0.1020 0.1020-0.0000 ( 3861 PWs) bands (ev): -38.2940 -38.2940 -38.2221 -38.2221 -38.2205 -38.2205 -17.3181 -17.3181 -17.3140 -17.3140 -17.1642 -17.1642 -16.8241 -16.8241 -16.8211 -16.8211 -16.7931 -16.7931 -16.7491 -16.7491 -16.5668 -16.5668 -16.5513 -16.5513 -3.1497 -3.1497 -3.1482 -3.1482 -2.3016 -2.3016 -2.2996 -2.2996 -2.2990 -2.2990 0.7779 0.7779 4.7145 4.7145 9.2894 9.2894 9.5546 9.5546 9.6806 9.6806 10.5477 10.5477 10.6179 10.6179 10.7914 10.7914 10.9048 10.9048 11.0332 11.0332 12.7998 12.7998 13.0187 13.0187 13.0951 13.0951 k = 0.0918 0.0918-0.0000 ( 3865 PWs) bands (ev): -38.2947 -38.2947 -38.2217 -38.2217 -38.2203 -38.2203 -17.3188 -17.3188 -17.3153 -17.3153 -17.1635 -17.1635 -16.8241 -16.8241 -16.8215 -16.8215 -16.7941 -16.7941 -16.7488 -16.7488 -16.5635 -16.5635 -16.5508 -16.5508 -3.1500 -3.1500 -3.1487 -3.1487 -2.3019 -2.3019 -2.3002 -2.3002 -2.2994 -2.2994 0.7577 0.7577 4.6957 4.6957 9.3618 9.3618 9.5864 9.5864 9.6949 9.6949 10.5794 10.5794 10.6217 10.6217 10.8141 10.8141 10.8921 10.8921 11.0148 11.0148 12.8305 12.8305 13.0523 13.0523 13.1298 13.1298 k = 0.0816 0.0816-0.0000 ( 3863 PWs) bands (ev): -38.2953 -38.2953 -38.2212 -38.2212 -38.2201 -38.2201 -17.3194 -17.3194 -17.3166 -17.3166 -17.1629 -17.1629 -16.8242 -16.8242 -16.8220 -16.8220 -16.7949 -16.7949 -16.7486 -16.7486 -16.5605 -16.5605 -16.5503 -16.5503 -3.1502 -3.1502 -3.1492 -3.1492 -2.3022 -2.3022 -2.3008 -2.3008 -2.2996 -2.2996 0.7395 0.7395 4.6787 4.6787 9.4311 9.4311 9.6169 9.6169 9.7079 9.7079 10.5979 10.5979 10.6214 10.6214 10.8356 10.8356 10.8879 10.8879 10.9981 10.9981 12.8668 12.8668 13.0891 13.0891 13.1665 13.1665 k = 0.0714 0.0714-0.0000 ( 3869 PWs) bands (ev): -38.2958 -38.2958 -38.2209 -38.2209 -38.2200 -38.2200 -17.3200 -17.3200 -17.3178 -17.3178 -17.1624 -17.1624 -16.8242 -16.8242 -16.8224 -16.8224 -16.7957 -16.7957 -16.7484 -16.7484 -16.5578 -16.5578 -16.5499 -16.5499 -3.1505 -3.1505 -3.1496 -3.1496 -2.3026 -2.3026 -2.3015 -2.3015 -2.2999 -2.2999 0.7233 0.7233 4.6635 4.6635 9.4966 9.4966 9.6457 9.6457 9.7194 9.7194 10.6045 10.6045 10.6172 10.6172 10.8558 10.8558 10.8909 10.8909 10.9834 10.9834 12.9072 12.9072 13.1294 13.1294 13.2052 13.2052 k = 0.0612 0.0612-0.0000 ( 3871 PWs) bands (ev): -38.2962 -38.2962 -38.2205 -38.2205 -38.2199 -38.2199 -17.3204 -17.3204 -17.3188 -17.3188 -17.1619 -17.1619 -16.8242 -16.8242 -16.8229 -16.8229 -16.7963 -16.7963 -16.7481 -16.7481 -16.5554 -16.5554 -16.5496 -16.5496 -3.1507 -3.1507 -3.1500 -3.1500 -2.3028 -2.3028 -2.3020 -2.3020 -2.3001 -2.3001 0.7091 0.7091 4.6503 4.6503 9.5573 9.5573 9.6722 9.6722 9.7295 9.7295 10.6023 10.6023 10.6098 10.6098 10.8745 10.8745 10.8986 10.8986 10.9705 10.9705 12.9496 12.9496 13.1733 13.1733 13.2458 13.2458 k = 0.0510 0.0510-0.0000 ( 3875 PWs) bands (ev): -38.2966 -38.2966 -38.2202 -38.2202 -38.2198 -38.2198 -17.3209 -17.3209 -17.3197 -17.3197 -17.1616 -17.1616 -16.8243 -16.8243 -16.8233 -16.8233 -16.7968 -16.7968 -16.7479 -16.7479 -16.5533 -16.5533 -16.5493 -16.5493 -3.1508 -3.1508 -3.1504 -3.1504 -2.3031 -2.3031 -2.3025 -2.3025 -2.3003 -2.3003 0.6971 0.6971 4.6391 4.6391 9.6121 9.6121 9.6959 9.6959 9.7382 9.7382 10.5950 10.5950 10.6001 10.6001 10.8913 10.8913 10.9081 10.9081 10.9596 10.9596 12.9918 12.9918 13.2209 13.2209 13.2876 13.2876 k = 0.0408 0.0408-0.0000 ( 3879 PWs) bands (ev): -38.2970 -38.2970 -38.2200 -38.2200 -38.2197 -38.2197 -17.3212 -17.3212 -17.3205 -17.3205 -17.1613 -17.1613 -16.8243 -16.8243 -16.8237 -16.8237 -16.7971 -16.7971 -16.7477 -16.7477 -16.5516 -16.5516 -16.5490 -16.5490 -3.1510 -3.1510 -3.1507 -3.1507 -2.3033 -2.3033 -2.3029 -2.3029 -2.3004 -2.3004 0.6872 0.6872 4.6299 4.6299 9.6597 9.6597 9.7164 9.7164 9.7456 9.7456 10.5855 10.5855 10.5894 10.5894 10.9058 10.9058 10.9173 10.9173 10.9507 10.9507 13.0314 13.0314 13.2718 13.2718 13.3299 13.3299 k = 0.0306 0.0306-0.0000 ( 3887 PWs) bands (ev): -38.2972 -38.2972 -38.2198 -38.2198 -38.2197 -38.2197 -17.3215 -17.3215 -17.3211 -17.3211 -17.1610 -17.1610 -16.8243 -16.8243 -16.8240 -16.8240 -16.7974 -16.7974 -16.7476 -16.7476 -16.5503 -16.5503 -16.5488 -16.5488 -3.1511 -3.1511 -3.1510 -3.1510 -2.3035 -2.3035 -2.3033 -2.3033 -2.3005 -2.3005 0.6795 0.6795 4.6227 4.6227 9.6981 9.6981 9.7333 9.7333 9.7519 9.7519 10.5761 10.5761 10.5789 10.5789 10.9175 10.9175 10.9250 10.9250 10.9439 10.9439 13.0661 13.0661 13.3250 13.3250 13.3710 13.3710 k = 0.0204 0.0204-0.0000 ( 3887 PWs) bands (ev): -38.2974 -38.2974 -38.2197 -38.2197 -38.2196 -38.2196 -17.3217 -17.3217 -17.3215 -17.3215 -17.1609 -17.1609 -16.8244 -16.8244 -16.8242 -16.8242 -16.7976 -16.7976 -16.7475 -16.7475 -16.5493 -16.5493 -16.5486 -16.5486 -3.1512 -3.1512 -3.1511 -3.1511 -2.3036 -2.3036 -2.3035 -2.3035 -2.3006 -2.3006 0.6740 0.6740 4.6175 4.6175 9.7248 9.7248 9.7471 9.7471 9.7573 9.7573 10.5685 10.5685 10.5699 10.5699 10.9261 10.9261 10.9305 10.9305 10.9393 10.9393 13.0934 13.0934 13.3786 13.3786 13.4090 13.4090 k = 0.0102 0.0102-0.0000 ( 3887 PWs) bands (ev): -38.2975 -38.2975 -38.2196 -38.2196 -38.2196 -38.2196 -17.3218 -17.3218 -17.3217 -17.3217 -17.1608 -17.1608 -16.8244 -16.8244 -16.8243 -16.8243 -16.7977 -16.7977 -16.7474 -16.7474 -16.5487 -16.5487 -16.5486 -16.5486 -3.1512 -3.1512 -3.1512 -3.1512 -2.3037 -2.3037 -2.3036 -2.3036 -2.3006 -2.3006 0.6707 0.6707 4.6144 4.6144 9.7380 9.7380 9.7583 9.7583 9.7613 9.7613 10.5635 10.5635 10.5639 10.5639 10.9312 10.9312 10.9328 10.9328 10.9377 10.9377 13.1112 13.1112 13.4284 13.4284 13.4407 13.4407 k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -38.2975 -38.2975 -38.2196 -38.2196 -38.2196 -38.2196 -17.3218 -17.3218 -17.3218 -17.3218 -17.1608 -17.1608 -16.8244 -16.8244 -16.8244 -16.8244 -16.7978 -16.7978 -16.7474 -16.7474 -16.5485 -16.5485 -16.5485 -16.5485 -3.1512 -3.1512 -3.1512 -3.1512 -2.3037 -2.3037 -2.3037 -2.3037 -2.3006 -2.3006 0.6695 0.6695 4.6134 4.6134 9.7415 9.7415 9.7629 9.7629 9.7629 9.7629 10.5618 10.5618 10.5618 10.5618 10.9329 10.9329 10.9329 10.9329 10.9380 10.9380 13.1173 13.1173 13.4557 13.4557 13.4557 13.4558 k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -38.2975 -38.2975 -38.2196 -38.2196 -38.2196 -38.2196 -17.3218 -17.3218 -17.3218 -17.3218 -17.1608 -17.1608 -16.8244 -16.8244 -16.8244 -16.8244 -16.7978 -16.7978 -16.7474 -16.7474 -16.5485 -16.5485 -16.5485 -16.5485 -3.1512 -3.1512 -3.1512 -3.1512 -2.3037 -2.3037 -2.3037 -2.3037 -2.3006 -2.3006 0.6695 0.6695 4.6134 4.6134 9.7415 9.7415 9.7629 9.7629 9.7629 9.7629 10.5618 10.5618 10.5618 10.5618 10.9329 10.9329 10.9329 10.9329 10.9380 10.9380 13.1173 13.1173 13.4557 13.4557 13.4557 13.4557 k = 0.0083 0.0083 0.0083 ( 3887 PWs) bands (ev): -38.2975 -38.2975 -38.2196 -38.2196 -38.2196 -38.2196 -17.3218 -17.3218 -17.3217 -17.3217 -17.1608 -17.1608 -16.8244 -16.8244 -16.8243 -16.8243 -16.7977 -16.7977 -16.7474 -16.7474 -16.5487 -16.5487 -16.5486 -16.5486 -3.1512 -3.1512 -3.1512 -3.1512 -2.3037 -2.3037 -2.3036 -2.3036 -2.3006 -2.3006 0.6707 0.6707 4.6144 4.6144 9.7381 9.7381 9.7584 9.7584 9.7610 9.7610 10.5637 10.5637 10.5637 10.5637 10.9309 10.9309 10.9331 10.9331 10.9377 10.9377 13.1112 13.1112 13.4277 13.4277 13.4414 13.4414 k = 0.0167 0.0167 0.0167 ( 3887 PWs) bands (ev): -38.2974 -38.2974 -38.2197 -38.2197 -38.2197 -38.2197 -17.3216 -17.3216 -17.3215 -17.3215 -17.1609 -17.1609 -16.8244 -16.8244 -16.8242 -16.8242 -16.7976 -16.7976 -16.7475 -16.7475 -16.5493 -16.5493 -16.5486 -16.5486 -3.1512 -3.1512 -3.1511 -3.1511 -2.3036 -2.3036 -2.3035 -2.3035 -2.3006 -2.3006 0.6740 0.6740 4.6175 4.6175 9.7270 9.7270 9.7453 9.7453 9.7568 9.7568 10.5691 10.5691 10.5693 10.5693 10.9239 10.9239 10.9341 10.9341 10.9379 10.9379 13.0935 13.0935 13.3773 13.3773 13.4108 13.4108 k = 0.0250 0.0250 0.0250 ( 3887 PWs) bands (ev): -38.2972 -38.2972 -38.2197 -38.2197 -38.2197 -38.2197 -17.3214 -17.3214 -17.3211 -17.3211 -17.1611 -17.1611 -16.8243 -16.8243 -16.8240 -16.8240 -16.7974 -16.7974 -16.7476 -16.7476 -16.5503 -16.5503 -16.5487 -16.5487 -3.1511 -3.1511 -3.1510 -3.1510 -2.3035 -2.3035 -2.3033 -2.3033 -2.3005 -2.3005 0.6795 0.6795 4.6227 4.6227 9.7072 9.7072 9.7241 9.7241 9.7517 9.7517 10.5773 10.5773 10.5778 10.5778 10.9115 10.9115 10.9358 10.9358 10.9392 10.9392 13.0665 13.0665 13.3233 13.3233 13.3746 13.3746 k = 0.0333 0.0333 0.0333 ( 3884 PWs) bands (ev): -38.2970 -38.2970 -38.2199 -38.2199 -38.2199 -38.2199 -17.3211 -17.3211 -17.3206 -17.3206 -17.1613 -17.1613 -16.8243 -16.8243 -16.8236 -16.8236 -16.7972 -16.7972 -16.7477 -16.7477 -16.5518 -16.5518 -16.5489 -16.5489 -3.1510 -3.1510 -3.1507 -3.1507 -2.3033 -2.3033 -2.3030 -2.3030 -2.3004 -2.3004 0.6872 0.6872 4.6299 4.6299 9.6793 9.6793 9.6957 9.6957 9.7458 9.7458 10.5872 10.5872 10.5881 10.5881 10.8936 10.8936 10.9387 10.9387 10.9416 10.9416 13.0327 13.0327 13.2700 13.2700 13.3365 13.3365 k = 0.0417 0.0417 0.0417 ( 3878 PWs) bands (ev): -38.2966 -38.2966 -38.2200 -38.2200 -38.2200 -38.2200 -17.3207 -17.3207 -17.3199 -17.3199 -17.1616 -17.1616 -16.8244 -16.8244 -16.8232 -16.8232 -16.7968 -16.7968 -16.7479 -16.7479 -16.5535 -16.5535 -16.5491 -16.5491 -3.1508 -3.1508 -3.1504 -3.1504 -2.3030 -2.3030 -2.3026 -2.3026 -2.3003 -2.3003 0.6972 0.6972 4.6392 4.6392 9.6447 9.6447 9.6608 9.6608 9.7389 9.7389 10.5973 10.5973 10.5991 10.5991 10.8703 10.8703 10.9431 10.9431 10.9455 10.9455 12.9944 12.9944 13.2195 13.2195 13.2984 13.2984 k = 0.0500 0.0500 0.0500 ( 3866 PWs) bands (ev): -38.2962 -38.2962 -38.2202 -38.2202 -38.2202 -38.2202 -17.3202 -17.3202 -17.3191 -17.3191 -17.1619 -17.1619 -16.8244 -16.8244 -16.8227 -16.8227 -16.7963 -16.7963 -16.7481 -16.7481 -16.5556 -16.5556 -16.5493 -16.5493 -3.1506 -3.1506 -3.1500 -3.1500 -2.3027 -2.3027 -2.3021 -2.3021 -2.3000 -2.3000 0.7093 0.7093 4.6505 4.6505 9.6045 9.6045 9.6206 9.6206 9.7307 9.7307 10.6063 10.6063 10.6092 10.6092 10.8413 10.8413 10.9496 10.9496 10.9516 10.9516 12.9536 12.9536 13.1732 13.1732 13.2614 13.2614 k = 0.0583 0.0583 0.0583 ( 3866 PWs) bands (ev): -38.2958 -38.2958 -38.2204 -38.2204 -38.2204 -38.2204 -17.3196 -17.3196 -17.3181 -17.3181 -17.1624 -17.1624 -16.8245 -16.8245 -16.8221 -16.8221 -16.7958 -16.7958 -16.7483 -16.7483 -16.5581 -16.5581 -16.5495 -16.5495 -3.1504 -3.1504 -3.1497 -3.1497 -2.3024 -2.3024 -2.3016 -2.3016 -2.2999 -2.2999 0.7235 0.7235 4.6638 4.6638 9.5596 9.5596 9.5757 9.5757 9.7212 9.7212 10.6125 10.6125 10.6172 10.6172 10.8065 10.8065 10.9586 10.9586 10.9604 10.9604 12.9124 12.9124 13.1318 13.1318 13.2264 13.2264 k = 0.0667 0.0667 0.0667 ( 3863 PWs) bands (ev): -38.2953 -38.2953 -38.2207 -38.2207 -38.2207 -38.2207 -17.3190 -17.3190 -17.3171 -17.3171 -17.1629 -17.1629 -16.8246 -16.8246 -16.8214 -16.8214 -16.7952 -16.7952 -16.7485 -16.7485 -16.5609 -16.5609 -16.5499 -16.5499 -3.1502 -3.1502 -3.1492 -3.1492 -2.3021 -2.3021 -2.3010 -2.3010 -2.2997 -2.2997 0.7398 0.7398 4.6791 4.6791 9.5109 9.5109 9.5271 9.5271 9.7102 9.7102 10.6149 10.6149 10.6222 10.6222 10.7660 10.7660 10.9707 10.9707 10.9723 10.9723 12.8724 12.8724 13.0955 13.0955 13.1941 13.1941 k = 0.0750 0.0750 0.0750 ( 3863 PWs) bands (ev): -38.2947 -38.2947 -38.2210 -38.2210 -38.2210 -38.2210 -17.3183 -17.3183 -17.3159 -17.3159 -17.1635 -17.1635 -16.8249 -16.8249 -16.8206 -16.8206 -16.7944 -16.7944 -16.7487 -16.7487 -16.5640 -16.5640 -16.5502 -16.5502 -3.1499 -3.1499 -3.1488 -3.1488 -2.3018 -2.3018 -2.3003 -2.3003 -2.2994 -2.2994 0.7582 0.7582 4.6963 4.6963 9.4590 9.4590 9.4753 9.4753 9.6976 9.6976 10.6121 10.6121 10.6231 10.6231 10.7201 10.7201 10.9863 10.9863 10.9879 10.9879 12.8350 12.8350 13.0646 13.0646 13.1649 13.1649 k = 0.0833 0.0833 0.0833 ( 3869 PWs) bands (ev): -38.2940 -38.2940 -38.2213 -38.2213 -38.2213 -38.2213 -17.3176 -17.3176 -17.3147 -17.3147 -17.1642 -17.1642 -16.8253 -16.8253 -16.8197 -16.8197 -16.7937 -16.7937 -16.7488 -16.7488 -16.5674 -16.5674 -16.5505 -16.5505 -3.1497 -3.1497 -3.1484 -3.1484 -2.3015 -2.3015 -2.2997 -2.2997 -2.2991 -2.2991 0.7787 0.7787 4.7154 4.7154 9.4046 9.4046 9.4210 9.4210 9.6834 9.6834 10.6023 10.6023 10.6196 10.6196 10.6706 10.6706 11.0053 11.0053 11.0071 11.0071 12.8014 12.8014 13.0389 13.0389 13.1391 13.1391 k = 0.0917 0.0917 0.0917 ( 3863 PWs) bands (ev): -38.2933 -38.2933 -38.2217 -38.2217 -38.2217 -38.2217 -17.3168 -17.3168 -17.3133 -17.3133 -17.1650 -17.1650 -16.8257 -16.8257 -16.8186 -16.8186 -16.7928 -16.7928 -16.7489 -16.7489 -16.5710 -16.5710 -16.5509 -16.5509 -3.1494 -3.1494 -3.1478 -3.1478 -2.3012 -2.3012 -2.2989 -2.2989 -2.2987 -2.2987 0.8012 0.8012 4.7364 4.7364 9.3482 9.3482 9.3645 9.3645 9.6674 9.6674 10.5791 10.5791 10.6118 10.6118 10.6245 10.6245 11.0277 11.0277 11.0298 11.0298 12.7724 12.7724 13.0181 13.0181 13.1170 13.1170 k = 0.1000 0.1000 0.1000 ( 3869 PWs) bands (ev): -38.2925 -38.2925 -38.2220 -38.2220 -38.2220 -38.2220 -17.3160 -17.3160 -17.3119 -17.3119 -17.1659 -17.1659 -16.8263 -16.8263 -16.8175 -16.8175 -16.7919 -16.7919 -16.7489 -16.7489 -16.5749 -16.5749 -16.5513 -16.5513 -3.1491 -3.1491 -3.1473 -3.1473 -2.3009 -2.3009 -2.2984 -2.2984 -2.2981 -2.2981 0.8255 0.8255 4.7593 4.7593 9.2901 9.2901 9.3063 9.3063 9.6493 9.6493 10.5308 10.5308 10.5942 10.5942 10.5997 10.5997 11.0531 11.0531 11.0554 11.0554 12.7484 12.7484 13.0021 13.0021 13.0986 13.0986 k = 0.1083 0.1083 0.1083 ( 3869 PWs) bands (ev): -38.2917 -38.2917 -38.2224 -38.2224 -38.2224 -38.2224 -17.3152 -17.3152 -17.3104 -17.3104 -17.1669 -17.1669 -16.8271 -16.8271 -16.8163 -16.8163 -16.7910 -16.7910 -16.7488 -16.7488 -16.5789 -16.5789 -16.5517 -16.5517 -3.1488 -3.1488 -3.1467 -3.1467 -2.3006 -2.3006 -2.2979 -2.2979 -2.2973 -2.2973 0.8519 0.8519 4.7840 4.7840 9.2307 9.2307 9.2468 9.2468 9.6291 9.6291 10.4678 10.4678 10.5706 10.5706 10.5839 10.5839 11.0813 11.0813 11.0838 11.0838 12.7296 12.7296 12.9904 12.9904 13.0838 13.0838 k = 0.1167 0.1167 0.1167 ( 3866 PWs) bands (ev): -38.2908 -38.2908 -38.2229 -38.2229 -38.2229 -38.2229 -17.3143 -17.3143 -17.3089 -17.3089 -17.1680 -17.1680 -16.8279 -16.8279 -16.8149 -16.8149 -16.7902 -16.7902 -16.7486 -16.7486 -16.5830 -16.5830 -16.5521 -16.5521 -3.1484 -3.1484 -3.1462 -3.1462 -2.3003 -2.3003 -2.2974 -2.2974 -2.2965 -2.2965 0.8802 0.8802 4.8104 4.8104 9.1703 9.1703 9.1863 9.1863 9.6062 9.6062 10.3993 10.3993 10.5460 10.5460 10.5646 10.5646 11.1118 11.1118 11.1146 11.1146 12.7159 12.7159 12.9828 12.9828 13.0726 13.0726 k = 0.1250 0.1250 0.1250 ( 3869 PWs) bands (ev): -38.2899 -38.2899 -38.2233 -38.2233 -38.2233 -38.2233 -17.3134 -17.3134 -17.3073 -17.3073 -17.1693 -17.1693 -16.8289 -16.8289 -16.8134 -16.8134 -16.7893 -16.7893 -16.7482 -16.7482 -16.5872 -16.5872 -16.5525 -16.5525 -3.1480 -3.1480 -3.1456 -3.1456 -2.3001 -2.3001 -2.2969 -2.2969 -2.2955 -2.2955 0.9102 0.9102 4.8385 4.8385 9.1092 9.1092 9.1249 9.1249 9.5801 9.5801 10.3281 10.3281 10.5192 10.5192 10.5425 10.5425 11.1443 11.1443 11.1472 11.1472 12.7070 12.7070 12.9789 12.9789 13.0646 13.0646 k = 0.1333 0.1333 0.1333 ( 3875 PWs) bands (ev): -38.2889 -38.2889 -38.2238 -38.2238 -38.2238 -38.2238 -17.3125 -17.3125 -17.3057 -17.3057 -17.1706 -17.1706 -16.8300 -16.8300 -16.8118 -16.8118 -16.7886 -16.7886 -16.7476 -16.7476 -16.5915 -16.5915 -16.5530 -16.5530 -3.1477 -3.1477 -3.1451 -3.1451 -2.2999 -2.2999 -2.2963 -2.2963 -2.2947 -2.2947 0.9420 0.9420 4.8683 4.8683 9.0476 9.0476 9.0629 9.0629 9.5502 9.5502 10.2563 10.2563 10.4903 10.4903 10.5179 10.5179 11.1785 11.1785 11.1816 11.1816 12.7025 12.7025 12.9784 12.9784 13.0598 13.0598 k = 0.1417 0.1417 0.1417 ( 3881 PWs) bands (ev): -38.2878 -38.2878 -38.2243 -38.2243 -38.2243 -38.2243 -17.3117 -17.3117 -17.3041 -17.3041 -17.1722 -17.1722 -16.8313 -16.8313 -16.8100 -16.8100 -16.7880 -16.7880 -16.7467 -16.7467 -16.5958 -16.5958 -16.5534 -16.5534 -3.1474 -3.1474 -3.1445 -3.1445 -2.2998 -2.2998 -2.2957 -2.2957 -2.2938 -2.2938 0.9755 0.9755 4.8996 4.8996 8.9857 8.9857 9.0006 9.0006 9.5157 9.5157 10.1854 10.1854 10.4595 10.4595 10.4913 10.4913 11.2143 11.2143 11.2174 11.2174 12.7019 12.7019 12.9807 12.9807 13.0576 13.0576 k = 0.1500 0.1500 0.1500 ( 3875 PWs) bands (ev): -38.2868 -38.2868 -38.2249 -38.2249 -38.2249 -38.2249 -17.3108 -17.3108 -17.3025 -17.3025 -17.1738 -17.1738 -16.8327 -16.8327 -16.8081 -16.8081 -16.7876 -16.7876 -16.7457 -16.7457 -16.5999 -16.5999 -16.5538 -16.5538 -3.1470 -3.1470 -3.1438 -3.1438 -2.2997 -2.2997 -2.2950 -2.2950 -2.2927 -2.2927 1.0106 1.0106 4.9325 4.9325 8.9237 8.9237 8.9381 8.9381 9.4758 9.4758 10.1171 10.1171 10.4273 10.4273 10.4632 10.4632 11.2514 11.2514 11.2546 11.2546 12.7046 12.7046 12.9855 12.9855 13.0579 13.0579 k = 0.1583 0.1583 0.1583 ( 3878 PWs) bands (ev): -38.2856 -38.2856 -38.2254 -38.2254 -38.2254 -38.2254 -17.3100 -17.3100 -17.3010 -17.3010 -17.1757 -17.1757 -16.8343 -16.8343 -16.8060 -16.8060 -16.7874 -16.7874 -16.7444 -16.7444 -16.6039 -16.6039 -16.5542 -16.5542 -3.1467 -3.1467 -3.1432 -3.1432 -2.2996 -2.2996 -2.2942 -2.2942 -2.2918 -2.2918 1.0473 1.0473 4.9668 4.9668 8.8616 8.8616 8.8755 8.8755 9.4295 9.4295 10.0528 10.0528 10.3940 10.3940 10.4338 10.4338 11.2898 11.2898 11.2930 11.2930 12.7101 12.7101 12.9922 12.9922 13.0600 13.0600 k = 0.1667 0.1667 0.1667 ( 3881 PWs) bands (ev): -38.2845 -38.2845 -38.2260 -38.2260 -38.2260 -38.2260 -17.3092 -17.3092 -17.2994 -17.2994 -17.1777 -17.1777 -16.8359 -16.8359 -16.8038 -16.8038 -16.7874 -16.7874 -16.7429 -16.7429 -16.6078 -16.6078 -16.5546 -16.5546 -3.1463 -3.1463 -3.1426 -3.1426 -2.2996 -2.2996 -2.2935 -2.2935 -2.2909 -2.2909 1.0854 1.0854 5.0024 5.0024 8.7997 8.7997 8.8131 8.8131 9.3763 9.3763 9.9942 9.9942 10.3600 10.3600 10.4035 10.4035 11.3293 11.3293 11.3324 11.3324 12.7176 12.7176 13.0004 13.0004 13.0634 13.0634 k = 0.1750 0.1750 0.1750 ( 3875 PWs) bands (ev): -38.2833 -38.2833 -38.2266 -38.2266 -38.2266 -38.2266 -17.3084 -17.3084 -17.2979 -17.2979 -17.1798 -17.1798 -16.8377 -16.8377 -16.8015 -16.8015 -16.7876 -16.7876 -16.7412 -16.7412 -16.6113 -16.6113 -16.5549 -16.5549 -3.1459 -3.1459 -3.1420 -3.1420 -2.2995 -2.2995 -2.2928 -2.2928 -2.2899 -2.2899 1.1250 1.1250 5.0393 5.0393 8.7381 8.7381 8.7508 8.7508 9.3160 9.3160 9.9419 9.9419 10.3255 10.3255 10.3728 10.3728 11.3697 11.3697 11.3727 11.3727 12.7267 12.7267 13.0095 13.0095 13.0678 13.0678 k = 0.1833 0.1833 0.1833 ( 3875 PWs) bands (ev): -38.2820 -38.2820 -38.2272 -38.2272 -38.2272 -38.2272 -17.3077 -17.3077 -17.2965 -17.2965 -17.1822 -17.1822 -16.8396 -16.8396 -16.7991 -16.7991 -16.7880 -16.7880 -16.7394 -16.7394 -16.6146 -16.6146 -16.5553 -16.5553 -3.1455 -3.1455 -3.1414 -3.1414 -2.2995 -2.2995 -2.2921 -2.2921 -2.2888 -2.2888 1.1659 1.1659 5.0774 5.0774 8.6768 8.6768 8.6889 8.6889 9.2488 9.2488 9.8961 9.8961 10.2911 10.2911 10.3419 10.3419 11.4110 11.4110 11.4140 11.4140 12.7367 12.7367 13.0188 13.0188 13.0725 13.0725 k = 0.1917 0.1917 0.1917 ( 3875 PWs) bands (ev): -38.2808 -38.2808 -38.2278 -38.2278 -38.2278 -38.2278 -17.3070 -17.3070 -17.2951 -17.2951 -17.1847 -17.1847 -16.8416 -16.8416 -16.7964 -16.7964 -16.7887 -16.7887 -16.7374 -16.7374 -16.6175 -16.6175 -16.5556 -16.5556 -3.1452 -3.1452 -3.1409 -3.1409 -2.2995 -2.2995 -2.2914 -2.2914 -2.2879 -2.2879 1.2080 1.2080 5.1165 5.1165 8.6160 8.6160 8.6275 8.6275 9.1756 9.1756 9.8567 9.8567 10.2568 10.2568 10.3110 10.3110 11.4532 11.4532 11.4560 11.4560 12.7471 12.7471 13.0278 13.0278 13.0768 13.0768 k = 0.2000 0.2000 0.2000 ( 3863 PWs) bands (ev): -38.2795 -38.2795 -38.2284 -38.2284 -38.2284 -38.2284 -17.3063 -17.3063 -17.2938 -17.2938 -17.1875 -17.1875 -16.8436 -16.8436 -16.7936 -16.7936 -16.7896 -16.7896 -16.7354 -16.7354 -16.6200 -16.6200 -16.5558 -16.5558 -3.1448 -3.1448 -3.1403 -3.1403 -2.2995 -2.2995 -2.2906 -2.2906 -2.2869 -2.2869 1.2512 1.2512 5.1566 5.1566 8.5558 8.5558 8.5665 8.5665 9.0974 9.0974 9.8230 9.8230 10.2232 10.2232 10.2806 10.2806 11.4961 11.4961 11.4988 11.4988 12.7574 12.7574 13.0359 13.0359 13.0801 13.0801 k = 0.2083 0.2083 0.2083 ( 3857 PWs) bands (ev): -38.2782 -38.2782 -38.2291 -38.2291 -38.2291 -38.2291 -17.3058 -17.3058 -17.2926 -17.2926 -17.1904 -17.1904 -16.8458 -16.8458 -16.7908 -16.7908 -16.7906 -16.7906 -16.7333 -16.7333 -16.6220 -16.6220 -16.5560 -16.5560 -3.1444 -3.1444 -3.1398 -3.1398 -2.2996 -2.2996 -2.2899 -2.2899 -2.2860 -2.2860 1.2956 1.2956 5.1976 5.1976 8.4962 8.4962 8.5062 8.5062 9.0153 9.0153 9.7941 9.7941 10.1902 10.1902 10.2507 10.2507 11.5396 11.5396 11.5422 11.5422 12.7670 12.7670 13.0424 13.0424 13.0819 13.0819 k = 0.2167 0.2167 0.2167 ( 3854 PWs) bands (ev): -38.2768 -38.2768 -38.2297 -38.2297 -38.2297 -38.2297 -17.3053 -17.3053 -17.2916 -17.2916 -17.1935 -17.1935 -16.8481 -16.8481 -16.7919 -16.7919 -16.7878 -16.7878 -16.7312 -16.7312 -16.6234 -16.6234 -16.5562 -16.5562 -3.1441 -3.1441 -3.1393 -3.1393 -2.2997 -2.2997 -2.2892 -2.2892 -2.2851 -2.2851 1.3408 1.3408 5.2393 5.2393 8.4373 8.4373 8.4467 8.4467 8.9306 8.9306 9.7696 9.7696 10.1582 10.1582 10.2215 10.2215 11.5837 11.5837 11.5861 11.5861 12.7758 12.7758 13.0466 13.0466 13.0816 13.0816 k = 0.2250 0.2250 0.2250 ( 3860 PWs) bands (ev): -38.2755 -38.2755 -38.2304 -38.2304 -38.2304 -38.2304 -17.3049 -17.3049 -17.2906 -17.2906 -17.1968 -17.1968 -16.8505 -16.8505 -16.7934 -16.7934 -16.7847 -16.7847 -16.7293 -16.7293 -16.6243 -16.6243 -16.5563 -16.5563 -3.1439 -3.1439 -3.1389 -3.1389 -2.3000 -2.3000 -2.2885 -2.2885 -2.2843 -2.2843 1.3869 1.3869 5.2816 5.2816 8.3793 8.3793 8.3879 8.3879 8.8440 8.8440 9.7487 9.7487 10.1274 10.1274 10.1934 10.1934 11.6282 11.6282 11.6304 11.6304 12.7831 12.7831 13.0482 13.0482 13.0786 13.0786 k = 0.2333 0.2333 0.2333 ( 3860 PWs) bands (ev): -38.2741 -38.2741 -38.2310 -38.2310 -38.2310 -38.2310 -17.3045 -17.3045 -17.2897 -17.2897 -17.2003 -17.2003 -16.8530 -16.8530 -16.7950 -16.7950 -16.7815 -16.7815 -16.7274 -16.7274 -16.6247 -16.6247 -16.5563 -16.5563 -3.1436 -3.1436 -3.1386 -3.1386 -2.3002 -2.3002 -2.2879 -2.2879 -2.2835 -2.2835 1.4337 1.4337 5.3243 5.3243 8.3221 8.3221 8.3300 8.3300 8.7567 8.7567 9.7308 9.7308 10.0979 10.0979 10.1664 10.1664 11.6730 11.6730 11.6750 11.6750 12.7888 12.7888 13.0466 13.0466 13.0726 13.0726 k = 0.2417 0.2417 0.2417 ( 3872 PWs) bands (ev): -38.2727 -38.2727 -38.2317 -38.2317 -38.2317 -38.2317 -17.3042 -17.3042 -17.2890 -17.2890 -17.2040 -17.2040 -16.8555 -16.8555 -16.7967 -16.7967 -16.7782 -16.7782 -16.7256 -16.7256 -16.6244 -16.6244 -16.5564 -16.5564 -3.1434 -3.1434 -3.1384 -3.1384 -2.3005 -2.3005 -2.2873 -2.2873 -2.2829 -2.2829 1.4811 1.4811 5.3674 5.3674 8.2658 8.2658 8.2730 8.2730 8.6692 8.6692 9.7155 9.7155 10.0698 10.0698 10.1407 10.1407 11.7180 11.7180 11.7199 11.7199 12.7927 12.7927 13.0416 13.0416 13.0635 13.0635 k = 0.2500 0.2500 0.2500 ( 3872 PWs) bands (ev): -38.2714 -38.2714 -38.2324 -38.2324 -38.2324 -38.2324 -17.3040 -17.3040 -17.2884 -17.2884 -17.2079 -17.2079 -16.8582 -16.8582 -16.7985 -16.7985 -16.7748 -16.7748 -16.7240 -16.7240 -16.6236 -16.6236 -16.5563 -16.5563 -3.1431 -3.1431 -3.1381 -3.1381 -2.3008 -2.3008 -2.2867 -2.2867 -2.2821 -2.2821 1.5291 1.5291 5.4107 5.4107 8.2105 8.2105 8.2171 8.2171 8.5822 8.5822 9.7027 9.7027 10.0434 10.0434 10.1164 10.1164 11.7632 11.7632 11.7649 11.7649 12.7946 12.7946 13.0330 13.0330 13.0511 13.0511 k = 0.2583 0.2583 0.2583 ( 3872 PWs) bands (ev): -38.2700 -38.2700 -38.2330 -38.2330 -38.2330 -38.2330 -17.3039 -17.3039 -17.2879 -17.2879 -17.2119 -17.2119 -16.8608 -16.8608 -16.8003 -16.8003 -16.7713 -16.7713 -16.7224 -16.7224 -16.6222 -16.6222 -16.5562 -16.5562 -3.1429 -3.1429 -3.1379 -3.1379 -2.3012 -2.3012 -2.2861 -2.2861 -2.2815 -2.2815 1.5774 1.5774 5.4539 5.4539 8.1564 8.1564 8.1623 8.1623 8.4962 8.4962 9.6920 9.6920 10.0187 10.0187 10.0936 10.0936 11.8083 11.8083 11.8098 11.8098 12.7944 12.7944 13.0210 13.0210 13.0355 13.0355 k = 0.2667 0.2667 0.2667 ( 3869 PWs) bands (ev): -38.2686 -38.2686 -38.2337 -38.2337 -38.2337 -38.2337 -17.3038 -17.3038 -17.2875 -17.2875 -17.2161 -17.2161 -16.8636 -16.8636 -16.8022 -16.8022 -16.7678 -16.7678 -16.7210 -16.7210 -16.6203 -16.6203 -16.5561 -16.5561 -3.1427 -3.1427 -3.1377 -3.1377 -2.3015 -2.3015 -2.2855 -2.2855 -2.2808 -2.2808 1.6261 1.6261 5.4970 5.4970 8.1033 8.1033 8.1086 8.1086 8.4116 8.4116 9.6833 9.6833 9.9959 9.9959 10.0725 10.0725 11.8532 11.8532 11.8546 11.8546 12.7921 12.7921 13.0055 13.0055 13.0170 13.0170 k = 0.2750 0.2750 0.2750 ( 3872 PWs) bands (ev): -38.2673 -38.2673 -38.2344 -38.2344 -38.2344 -38.2344 -17.3039 -17.3039 -17.2872 -17.2872 -17.2204 -17.2204 -16.8664 -16.8664 -16.8041 -16.8041 -16.7642 -16.7642 -16.7197 -16.7197 -16.6180 -16.6180 -16.5558 -16.5558 -3.1425 -3.1425 -3.1375 -3.1375 -2.3020 -2.3020 -2.2849 -2.2849 -2.2803 -2.2803 1.6749 1.6749 5.5398 5.5398 8.0515 8.0515 8.0562 8.0562 8.3287 8.3287 9.6764 9.6764 9.9749 9.9749 10.0530 10.0530 11.8978 11.8978 11.8991 11.8991 12.7877 12.7877 12.9869 12.9869 12.9958 12.9958 k = 0.2833 0.2833 0.2833 ( 3872 PWs) bands (ev): -38.2659 -38.2659 -38.2350 -38.2350 -38.2350 -38.2350 -17.3040 -17.3040 -17.2870 -17.2870 -17.2248 -17.2248 -16.8693 -16.8693 -16.8060 -16.8060 -16.7606 -16.7606 -16.7185 -16.7185 -16.6152 -16.6152 -16.5555 -16.5555 -3.1423 -3.1423 -3.1374 -3.1374 -2.3024 -2.3024 -2.2844 -2.2844 -2.2797 -2.2797 1.7237 1.7237 5.5820 5.5820 8.0009 8.0009 8.0051 8.0051 8.2479 8.2479 9.6712 9.6712 9.9559 9.9559 10.0353 10.0353 11.9420 11.9420 11.9431 11.9431 12.7811 12.7811 12.9656 12.9656 12.9722 12.9722 k = 0.2917 0.2917 0.2917 ( 3890 PWs) bands (ev): -38.2646 -38.2646 -38.2357 -38.2357 -38.2357 -38.2357 -17.3042 -17.3042 -17.2870 -17.2870 -17.2294 -17.2294 -16.8723 -16.8723 -16.8078 -16.8078 -16.7571 -16.7571 -16.7174 -16.7174 -16.6121 -16.6121 -16.5551 -16.5551 -3.1423 -3.1423 -3.1376 -3.1376 -2.3030 -2.3030 -2.2840 -2.2840 -2.2795 -2.2795 1.7724 1.7724 5.6235 5.6235 7.9515 7.9515 7.9552 7.9552 8.1694 8.1694 9.6676 9.6676 9.9388 9.9388 10.0192 10.0192 11.9854 11.9854 11.9864 11.9864 12.7723 12.7723 12.9417 12.9417 12.9464 12.9464 k = 0.3000 0.3000 0.3000 ( 3884 PWs) bands (ev): -38.2633 -38.2633 -38.2363 -38.2363 -38.2363 -38.2363 -17.3044 -17.3044 -17.2870 -17.2870 -17.2340 -17.2340 -16.8752 -16.8752 -16.8095 -16.8095 -16.7534 -16.7534 -16.7164 -16.7164 -16.6087 -16.6087 -16.5547 -16.5547 -3.1421 -3.1421 -3.1375 -3.1375 -2.3035 -2.3035 -2.2835 -2.2835 -2.2790 -2.2790 1.8210 1.8210 5.6641 5.6641 7.9036 7.9036 7.9069 7.9069 8.0937 8.0937 9.6657 9.6657 9.9238 9.9238 10.0050 10.0050 12.0281 12.0281 12.0290 12.0290 12.7616 12.7616 12.9157 12.9157 12.9189 12.9189 k = 0.3083 0.3083 0.3083 ( 3896 PWs) bands (ev): -38.2620 -38.2620 -38.2369 -38.2369 -38.2369 -38.2369 -17.3048 -17.3048 -17.2871 -17.2871 -17.2386 -17.2386 -16.8782 -16.8782 -16.8112 -16.8112 -16.7499 -16.7499 -16.7154 -16.7154 -16.6050 -16.6050 -16.5542 -16.5542 -3.1420 -3.1420 -3.1377 -3.1377 -2.3041 -2.3041 -2.2831 -2.2831 -2.2787 -2.2787 1.8691 1.8691 5.7035 5.7035 7.8571 7.8571 7.8599 7.8599 8.0207 8.0207 9.6652 9.6652 9.9108 9.9108 9.9925 9.9925 12.0698 12.0698 12.0705 12.0705 12.7488 12.7488 12.8880 12.8880 12.8899 12.8899 k = 0.3167 0.3167 0.3167 ( 3884 PWs) bands (ev): -38.2607 -38.2607 -38.2375 -38.2375 -38.2375 -38.2375 -17.3052 -17.3052 -17.2873 -17.2873 -17.2433 -17.2433 -16.8811 -16.8811 -16.8127 -16.8127 -16.7463 -16.7463 -16.7145 -16.7145 -16.6011 -16.6011 -16.5537 -16.5537 -3.1419 -3.1419 -3.1377 -3.1377 -2.3047 -2.3047 -2.2825 -2.2825 -2.2782 -2.2782 1.9168 1.9168 5.7417 5.7417 7.8121 7.8121 7.8145 7.8145 7.9509 7.9509 9.6663 9.6663 9.9000 9.9000 9.9818 9.9818 12.1104 12.1104 12.1110 12.1110 12.7342 12.7342 12.8589 12.8589 12.8597 12.8597 k = 0.3250 0.3250 0.3250 ( 3884 PWs) bands (ev): -38.2595 -38.2595 -38.2381 -38.2381 -38.2381 -38.2381 -17.3057 -17.3057 -17.2876 -17.2876 -17.2479 -17.2479 -16.8841 -16.8841 -16.8142 -16.8142 -16.7428 -16.7428 -16.7136 -16.7136 -16.5971 -16.5971 -16.5531 -16.5531 -3.1418 -3.1418 -3.1378 -3.1378 -2.3053 -2.3053 -2.2821 -2.2821 -2.2780 -2.2780 1.9638 1.9638 5.7783 5.7783 7.7686 7.7686 7.7707 7.7707 7.8842 7.8842 9.6688 9.6688 9.8911 9.8911 9.9727 9.9727 12.1496 12.1496 12.1501 12.1501 12.7178 12.7178 12.8286 12.8286 12.8286 12.8286 k = 0.3333 0.3333 0.3333 ( 3884 PWs) bands (ev): -38.2582 -38.2582 -38.2387 -38.2387 -38.2387 -38.2387 -17.3063 -17.3063 -17.2880 -17.2880 -17.2525 -17.2525 -16.8870 -16.8870 -16.8155 -16.8155 -16.7394 -16.7394 -16.7127 -16.7127 -16.5930 -16.5930 -16.5524 -16.5524 -3.1417 -3.1417 -3.1380 -3.1380 -2.3059 -2.3059 -2.2816 -2.2816 -2.2777 -2.2777 2.0101 2.0101 5.8132 5.8132 7.7267 7.7267 7.7286 7.7286 7.8210 7.8210 9.6725 9.6725 9.8842 9.8842 9.9653 9.9653 12.1872 12.1872 12.1877 12.1877 12.6997 12.6997 12.7968 12.7968 12.7975 12.7975 k = 0.3417 0.3417 0.3417 ( 3884 PWs) bands (ev): -38.2571 -38.2571 -38.2393 -38.2393 -38.2393 -38.2393 -17.3070 -17.3070 -17.2884 -17.2884 -17.2570 -17.2570 -16.8899 -16.8899 -16.8168 -16.8168 -16.7361 -16.7361 -16.7118 -16.7118 -16.5889 -16.5889 -16.5517 -16.5517 -3.1417 -3.1417 -3.1382 -3.1382 -2.3066 -2.3066 -2.2812 -2.2812 -2.2775 -2.2775 2.0554 2.0554 5.8461 5.8461 7.6864 7.6864 7.6881 7.6881 7.7613 7.7613 9.6774 9.6774 9.8794 9.8794 9.9595 9.9595 12.2231 12.2231 12.2235 12.2235 12.6800 12.6800 12.7646 12.7646 12.7659 12.7659 k = 0.3500 0.3500 0.3500 ( 3884 PWs) bands (ev): -38.2559 -38.2559 -38.2398 -38.2398 -38.2398 -38.2398 -17.3077 -17.3077 -17.2889 -17.2889 -17.2613 -17.2613 -16.8928 -16.8928 -16.8179 -16.8179 -16.7328 -16.7328 -16.7110 -16.7110 -16.5847 -16.5847 -16.5509 -16.5509 -3.1416 -3.1416 -3.1384 -3.1384 -2.3072 -2.3072 -2.2808 -2.2808 -2.2774 -2.2774 2.0996 2.0996 5.8770 5.8770 7.6478 7.6478 7.6494 7.6494 7.7055 7.7055 9.6834 9.6834 9.8764 9.8764 9.9551 9.9551 12.2571 12.2571 12.2573 12.2573 12.6588 12.6588 12.7324 12.7324 12.7342 12.7342 k = 0.3583 0.3583 0.3583 ( 3884 PWs) bands (ev): -38.2548 -38.2548 -38.2404 -38.2404 -38.2404 -38.2404 -17.3086 -17.3086 -17.2894 -17.2894 -17.2655 -17.2655 -16.8956 -16.8956 -16.8189 -16.8189 -16.7297 -16.7297 -16.7102 -16.7102 -16.5806 -16.5806 -16.5501 -16.5501 -3.1416 -3.1416 -3.1386 -3.1386 -2.3079 -2.3079 -2.2804 -2.2804 -2.2772 -2.2772 2.1426 2.1426 5.9056 5.9056 7.6109 7.6109 7.6125 7.6125 7.6536 7.6536 9.6904 9.6904 9.8755 9.8755 9.9523 9.9523 12.2888 12.2888 12.2890 12.2890 12.6363 12.6363 12.7004 12.7004 12.7028 12.7028 k = 0.3667 0.3667 0.3667 ( 3887 PWs) bands (ev): -38.2538 -38.2538 -38.2409 -38.2409 -38.2409 -38.2409 -17.3096 -17.3096 -17.2899 -17.2899 -17.2696 -17.2696 -16.8982 -16.8982 -16.8198 -16.8198 -16.7267 -16.7267 -16.7094 -16.7094 -16.5765 -16.5765 -16.5492 -16.5492 -3.1416 -3.1416 -3.1389 -3.1389 -2.3086 -2.3086 -2.2801 -2.2801 -2.2772 -2.2772 2.1842 2.1842 5.9317 5.9317 7.5756 7.5756 7.5774 7.5774 7.6057 7.6057 9.6981 9.6981 9.8763 9.8763 9.9507 9.9507 12.3181 12.3181 12.3181 12.3181 12.6126 12.6126 12.6689 12.6689 12.6719 12.6719 k = 0.3750 0.3750 0.3750 ( 3888 PWs) bands (ev): -38.2528 -38.2528 -38.2414 -38.2414 -38.2414 -38.2414 -17.3107 -17.3107 -17.2905 -17.2905 -17.2733 -17.2733 -16.9008 -16.9008 -16.8206 -16.8206 -16.7239 -16.7239 -16.7087 -16.7087 -16.5726 -16.5726 -16.5484 -16.5484 -3.1416 -3.1416 -3.1391 -3.1391 -2.3093 -2.3093 -2.2799 -2.2799 -2.2771 -2.2771 2.2242 2.2242 5.9553 5.9553 7.5417 7.5417 7.5442 7.5442 7.5622 7.5622 9.7065 9.7065 9.8790 9.8790 9.9502 9.9502 12.3443 12.3443 12.3446 12.3446 12.5879 12.5879 12.6386 12.6386 12.6422 12.6422 k = 0.3833 0.3833 0.3833 ( 3870 PWs) bands (ev): -38.2518 -38.2518 -38.2418 -38.2418 -38.2418 -38.2418 -17.3119 -17.3119 -17.2911 -17.2911 -17.2768 -17.2768 -16.9033 -16.9033 -16.8213 -16.8213 -16.7212 -16.7212 -16.7079 -16.7079 -16.5687 -16.5687 -16.5475 -16.5475 -3.1415 -3.1415 -3.1393 -3.1393 -2.3098 -2.3098 -2.2794 -2.2794 -2.2769 -2.2769 2.2627 2.2627 5.9765 5.9765 7.5091 7.5091 7.5130 7.5130 7.5237 7.5237 9.7154 9.7154 9.8834 9.8834 9.9509 9.9509 12.3671 12.3671 12.3679 12.3679 12.5625 12.5625 12.6100 12.6100 12.6144 12.6144 k = 0.3917 0.3917 0.3917 ( 3864 PWs) bands (ev): -38.2510 -38.2510 -38.2423 -38.2423 -38.2423 -38.2423 -17.3133 -17.3133 -17.2917 -17.2917 -17.2799 -17.2799 -16.9056 -16.9056 -16.8219 -16.8219 -16.7186 -16.7186 -16.7072 -16.7072 -16.5650 -16.5650 -16.5466 -16.5466 -3.1415 -3.1415 -3.1394 -3.1394 -2.3104 -2.3104 -2.2791 -2.2791 -2.2769 -2.2769 2.2992 2.2992 5.9950 5.9950 7.4774 7.4774 7.4837 7.4837 7.4900 7.4900 9.7246 9.7246 9.8894 9.8894 9.9525 9.9525 12.3855 12.3855 12.3871 12.3871 12.5366 12.5366 12.5840 12.5840 12.5895 12.5895 k = 0.4000 0.4000 0.4000 ( 3870 PWs) bands (ev): -38.2501 -38.2501 -38.2427 -38.2427 -38.2427 -38.2427 -17.3147 -17.3147 -17.2922 -17.2922 -17.2829 -17.2829 -16.9078 -16.9078 -16.8225 -16.8225 -16.7163 -16.7163 -16.7065 -16.7065 -16.5615 -16.5615 -16.5458 -16.5458 -3.1416 -3.1416 -3.1398 -3.1398 -2.3110 -2.3110 -2.2789 -2.2789 -2.2770 -2.2770 2.3338 2.3338 6.0110 6.0110 7.4472 7.4472 7.4563 7.4563 7.4607 7.4607 9.7337 9.7337 9.8967 9.8967 9.9549 9.9549 12.3984 12.3984 12.4009 12.4009 12.5103 12.5103 12.5621 12.5621 12.5689 12.5689 k = 0.4083 0.4083 0.4083 ( 3873 PWs) bands (ev): -38.2493 -38.2493 -38.2430 -38.2430 -38.2430 -38.2430 -17.3163 -17.3163 -17.2928 -17.2928 -17.2854 -17.2854 -16.9099 -16.9099 -16.8230 -16.8230 -16.7141 -16.7141 -16.7059 -16.7059 -16.5582 -16.5582 -16.5449 -16.5449 -3.1416 -3.1416 -3.1401 -3.1401 -2.3115 -2.3115 -2.2787 -2.2787 -2.2770 -2.2770 2.3663 2.3663 6.0245 6.0245 7.4196 7.4196 7.4311 7.4311 7.4345 7.4345 9.7427 9.7427 9.9053 9.9053 9.9579 9.9579 12.4042 12.4042 12.4077 12.4077 12.4840 12.4841 12.5464 12.5464 12.5545 12.5545 k = 0.4167 0.4167 0.4167 ( 3879 PWs) bands (ev): -38.2486 -38.2486 -38.2434 -38.2434 -38.2434 -38.2434 -17.3179 -17.3179 -17.2934 -17.2934 -17.2876 -17.2876 -16.9118 -16.9118 -16.8234 -16.8234 -16.7121 -16.7121 -16.7053 -16.7053 -16.5551 -16.5551 -16.5441 -16.5441 -3.1417 -3.1417 -3.1404 -3.1404 -2.3121 -2.3121 -2.2785 -2.2785 -2.2771 -2.2771 2.3965 2.3965 6.0356 6.0356 7.3952 7.3952 7.4079 7.4079 7.4109 7.4109 9.7514 9.7514 9.9148 9.9148 9.9614 9.9614 12.4021 12.4021 12.4063 12.4063 12.4581 12.4582 12.5383 12.5383 12.5474 12.5474 k = 0.4250 0.4250 0.4250 ( 3879 PWs) bands (ev): -38.2480 -38.2480 -38.2437 -38.2437 -38.2437 -38.2437 -17.3195 -17.3195 -17.2939 -17.2939 -17.2896 -17.2896 -16.9135 -16.9135 -16.8238 -16.8238 -16.7103 -16.7103 -16.7048 -16.7048 -16.5523 -16.5523 -16.5433 -16.5433 -3.1417 -3.1417 -3.1407 -3.1407 -2.3127 -2.3127 -2.2783 -2.2783 -2.2772 -2.2772 2.4243 2.4243 6.0446 6.0446 7.3739 7.3739 7.3869 7.3869 7.3896 7.3896 9.7597 9.7597 9.9249 9.9249 9.9652 9.9652 12.3931 12.3931 12.3974 12.3974 12.4330 12.4330 12.5372 12.5372 12.5467 12.5467 k = 0.4333 0.4333 0.4333 ( 3879 PWs) bands (ev): -38.2474 -38.2474 -38.2440 -38.2440 -38.2440 -38.2440 -17.3211 -17.3211 -17.2944 -17.2944 -17.2912 -17.2912 -16.9151 -16.9151 -16.8241 -16.8241 -16.7086 -16.7086 -16.7043 -16.7043 -16.5497 -16.5497 -16.5426 -16.5426 -3.1417 -3.1417 -3.1409 -3.1409 -2.3132 -2.3132 -2.2781 -2.2781 -2.2772 -2.2772 2.4495 2.4495 6.0518 6.0518 7.3559 7.3559 7.3680 7.3680 7.3706 7.3706 9.7675 9.7675 9.9355 9.9355 9.9691 9.9691 12.3800 12.3800 12.3838 12.3838 12.4090 12.4090 12.5408 12.5408 12.5502 12.5502 k = 0.4417 0.4417 0.4417 ( 3885 PWs) bands (ev): -38.2468 -38.2468 -38.2442 -38.2442 -38.2442 -38.2442 -17.3227 -17.3227 -17.2949 -17.2949 -17.2925 -17.2925 -16.9165 -16.9165 -16.8244 -16.8244 -16.7072 -16.7072 -16.7038 -16.7038 -16.5474 -16.5474 -16.5419 -16.5419 -3.1417 -3.1417 -3.1412 -3.1412 -2.3137 -2.3137 -2.2780 -2.2780 -2.2772 -2.2772 2.4721 2.4721 6.0572 6.0572 7.3406 7.3406 7.3512 7.3512 7.3538 7.3538 9.7746 9.7746 9.9459 9.9459 9.9730 9.9730 12.3651 12.3651 12.3685 12.3685 12.3865 12.3865 12.5463 12.5463 12.5556 12.5556 k = 0.4500 0.4500 0.4500 ( 3876 PWs) bands (ev): -38.2464 -38.2464 -38.2445 -38.2445 -38.2445 -38.2445 -17.3241 -17.3241 -17.2952 -17.2952 -17.2936 -17.2936 -16.9177 -16.9177 -16.8246 -16.8246 -16.7059 -16.7059 -16.7035 -16.7035 -16.5453 -16.5453 -16.5413 -16.5413 -3.1418 -3.1418 -3.1413 -3.1413 -2.3140 -2.3140 -2.2778 -2.2778 -2.2772 -2.2772 2.4920 2.4920 6.0613 6.0613 7.3281 7.3281 7.3366 7.3366 7.3392 7.3392 9.7810 9.7810 9.9560 9.9560 9.9768 9.9768 12.3502 12.3502 12.3532 12.3532 12.3659 12.3659 12.5524 12.5524 12.5614 12.5614 k = 0.4583 0.4583 0.4583 ( 3876 PWs) bands (ev): -38.2460 -38.2460 -38.2447 -38.2447 -38.2447 -38.2447 -17.3254 -17.3254 -17.2956 -17.2956 -17.2945 -17.2945 -16.9187 -16.9187 -16.8248 -16.8248 -16.7048 -16.7048 -16.7031 -16.7031 -16.5436 -16.5436 -16.5408 -16.5408 -3.1418 -3.1418 -3.1415 -3.1415 -2.3143 -2.3143 -2.2776 -2.2776 -2.2773 -2.2773 2.5090 2.5090 6.0642 6.0642 7.3179 7.3179 7.3243 7.3243 7.3269 7.3269 9.7865 9.7865 9.9652 9.9652 9.9803 9.9803 12.3365 12.3365 12.3391 12.3391 12.3477 12.3477 12.5582 12.5582 12.5667 12.5668 k = 0.4667 0.4667 0.4667 ( 3882 PWs) bands (ev): -38.2457 -38.2457 -38.2448 -38.2448 -38.2448 -38.2448 -17.3265 -17.3265 -17.2959 -17.2959 -17.2952 -17.2952 -16.9196 -16.9196 -16.8249 -16.8249 -16.7039 -16.7039 -16.7029 -16.7029 -16.5421 -16.5421 -16.5404 -16.5404 -3.1419 -3.1419 -3.1416 -3.1416 -2.3146 -2.3146 -2.2776 -2.2776 -2.2773 -2.2773 2.5230 2.5230 6.0662 6.0662 7.3099 7.3099 7.3141 7.3141 7.3168 7.3168 9.7911 9.7911 9.9733 9.9733 9.9833 9.9833 12.3245 12.3245 12.3269 12.3269 12.3323 12.3323 12.5631 12.5631 12.5710 12.5710 k = 0.4750 0.4750 0.4750 ( 3882 PWs) bands (ev): -38.2454 -38.2454 -38.2449 -38.2449 -38.2449 -38.2449 -17.3274 -17.3274 -17.2961 -17.2961 -17.2958 -17.2958 -16.9203 -16.9203 -16.8250 -16.8250 -16.7032 -16.7032 -16.7026 -16.7026 -16.5410 -16.5410 -16.5400 -16.5400 -3.1419 -3.1419 -3.1418 -3.1418 -2.3148 -2.3148 -2.2775 -2.2775 -2.2774 -2.2774 2.5339 2.5339 6.0675 6.0675 7.3038 7.3038 7.3063 7.3063 7.3090 7.3090 9.7948 9.7948 9.9800 9.9800 9.9857 9.9857 12.3148 12.3148 12.3170 12.3170 12.3199 12.3199 12.5670 12.5671 12.5735 12.5737 k = 0.4833 0.4833 0.4833 ( 3888 PWs) bands (ev): -38.2452 -38.2452 -38.2450 -38.2450 -38.2450 -38.2450 -17.3281 -17.3281 -17.2963 -17.2963 -17.2961 -17.2961 -16.9208 -16.9208 -16.8251 -16.8251 -16.7028 -16.7028 -16.7025 -16.7025 -16.5402 -16.5402 -16.5398 -16.5398 -3.1420 -3.1420 -3.1419 -3.1419 -2.3150 -2.3150 -2.2775 -2.2775 -2.2774 -2.2774 2.5418 2.5418 6.0683 6.0683 7.2995 7.2995 7.3006 7.3006 7.3035 7.3035 9.7974 9.7974 9.9850 9.9850 9.9876 9.9876 12.3075 12.3075 12.3098 12.3098 12.3109 12.3109 12.5699 12.5700 12.5738 12.5741 k = 0.4917 0.4917 0.4917 ( 3903 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3285 -17.3285 -17.2964 -17.2964 -17.2964 -17.2964 -16.9211 -16.9211 -16.8252 -16.8252 -16.7025 -16.7025 -16.7024 -16.7024 -16.5398 -16.5398 -16.5396 -16.5396 -3.1421 -3.1421 -3.1420 -3.1420 -2.3152 -2.3152 -2.2776 -2.2776 -2.2776 -2.2776 2.5465 2.5465 6.0687 6.0687 7.2969 7.2969 7.2972 7.2972 7.3002 7.3002 9.7990 9.7990 9.9880 9.9880 9.9887 9.9887 12.3029 12.3029 12.3053 12.3053 12.3056 12.3056 12.5716 12.5717 12.5728 12.5728 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3286 -17.3286 -17.2965 -17.2965 -17.2965 -17.2965 -16.9212 -16.9212 -16.8252 -16.8252 -16.7024 -16.7024 -16.7024 -16.7024 -16.5396 -16.5396 -16.5396 -16.5396 -3.1421 -3.1421 -3.1421 -3.1421 -2.3152 -2.3152 -2.2777 -2.2777 -2.2777 -2.2777 2.5481 2.5481 6.0688 6.0688 7.2960 7.2960 7.2960 7.2960 7.2991 7.2991 9.7995 9.7995 9.9891 9.9891 9.9891 9.9891 12.3013 12.3013 12.3038 12.3038 12.3038 12.3038 12.5721 12.5721 12.5722 12.5724 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3286 -17.3286 -17.2965 -17.2965 -17.2965 -17.2965 -16.9212 -16.9212 -16.8252 -16.8252 -16.7024 -16.7024 -16.7024 -16.7024 -16.5396 -16.5396 -16.5396 -16.5396 -3.1421 -3.1421 -3.1421 -3.1421 -2.3152 -2.3152 -2.2777 -2.2777 -2.2777 -2.2777 2.5481 2.5481 6.0688 6.0688 7.2960 7.2960 7.2960 7.2960 7.2991 7.2991 9.7995 9.7995 9.9891 9.9891 9.9891 9.9891 12.3013 12.3013 12.3038 12.3038 12.3038 12.3038 12.5721 12.5721 12.5723 12.5725 k = 0.4898 0.5000 0.4898 ( 3900 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3285 -17.3285 -17.2964 -17.2964 -17.2964 -17.2964 -16.9211 -16.9211 -16.8252 -16.8252 -16.7025 -16.7025 -16.7024 -16.7024 -16.5398 -16.5398 -16.5396 -16.5396 -3.1421 -3.1421 -3.1420 -3.1420 -2.3152 -2.3152 -2.2776 -2.2776 -2.2775 -2.2775 2.5465 2.5465 6.0687 6.0687 7.2963 7.2963 7.2976 7.2976 7.3004 7.3004 9.7990 9.7990 9.9879 9.9879 9.9888 9.9888 12.3029 12.3029 12.3053 12.3053 12.3056 12.3056 12.5716 12.5717 12.5727 12.5730 k = 0.4796 0.5000 0.4796 ( 3888 PWs) bands (ev): -38.2452 -38.2452 -38.2451 -38.2451 -38.2450 -38.2450 -17.3281 -17.3281 -17.2963 -17.2963 -17.2961 -17.2961 -16.9208 -16.9208 -16.8251 -16.8251 -16.7028 -16.7028 -16.7025 -16.7025 -16.5402 -16.5402 -16.5397 -16.5397 -3.1420 -3.1420 -3.1419 -3.1419 -2.3150 -2.3150 -2.2775 -2.2775 -2.2775 -2.2775 2.5418 2.5418 6.0683 6.0683 7.2963 7.2963 7.3022 7.3022 7.3050 7.3050 9.7974 9.7974 9.9843 9.9843 9.9882 9.9882 12.3074 12.3074 12.3100 12.3100 12.3108 12.3108 12.5700 12.5703 12.5738 12.5741 k = 0.4694 0.5000 0.4694 ( 3884 PWs) bands (ev): -38.2453 -38.2453 -38.2451 -38.2451 -38.2448 -38.2448 -17.3274 -17.3274 -17.2961 -17.2961 -17.2958 -17.2958 -16.9203 -16.9203 -16.8250 -16.8250 -16.7032 -16.7032 -16.7026 -16.7026 -16.5411 -16.5411 -16.5400 -16.5400 -3.1419 -3.1419 -3.1418 -3.1418 -2.3148 -2.3148 -2.2775 -2.2775 -2.2774 -2.2774 2.5340 2.5340 6.0675 6.0675 7.2959 7.2959 7.3096 7.3096 7.3135 7.3135 9.7947 9.7947 9.9786 9.9786 9.9873 9.9873 12.3142 12.3142 12.3181 12.3181 12.3193 12.3193 12.5672 12.5673 12.5738 12.5739 k = 0.4592 0.5000 0.4592 ( 3878 PWs) bands (ev): -38.2455 -38.2455 -38.2451 -38.2451 -38.2447 -38.2447 -17.3265 -17.3265 -17.2959 -17.2959 -17.2952 -17.2952 -16.9196 -16.9196 -16.8249 -16.8249 -16.7039 -16.7039 -16.7028 -16.7028 -16.5423 -16.5423 -16.5402 -16.5402 -3.1418 -3.1418 -3.1416 -3.1416 -2.3146 -2.3146 -2.2776 -2.2776 -2.2773 -2.2773 2.5231 2.5231 6.0663 6.0663 7.2953 7.2953 7.3196 7.3196 7.3256 7.3256 9.7908 9.7908 9.9708 9.9708 9.9862 9.9862 12.3233 12.3233 12.3293 12.3293 12.3310 12.3310 12.5633 12.5633 12.5716 12.5716 k = 0.4490 0.5000 0.4490 ( 3878 PWs) bands (ev): -38.2458 -38.2458 -38.2451 -38.2451 -38.2444 -38.2444 -17.3254 -17.3254 -17.2956 -17.2956 -17.2945 -17.2945 -16.9188 -16.9188 -16.8248 -16.8248 -16.7048 -16.7048 -16.7031 -16.7031 -16.5437 -16.5437 -16.5406 -16.5406 -3.1418 -3.1418 -3.1415 -3.1415 -2.3143 -2.3143 -2.2777 -2.2777 -2.2772 -2.2772 2.5092 2.5092 6.0645 6.0645 7.2948 7.2948 7.3322 7.3322 7.3413 7.3413 9.7858 9.7858 9.9613 9.9613 9.9851 9.9851 12.3347 12.3347 12.3431 12.3431 12.3455 12.3455 12.5582 12.5582 12.5676 12.5676 k = 0.4388 0.5000 0.4388 ( 3878 PWs) bands (ev): -38.2461 -38.2461 -38.2451 -38.2451 -38.2441 -38.2441 -17.3241 -17.3241 -17.2953 -17.2953 -17.2936 -17.2936 -16.9177 -16.9177 -16.8246 -16.8246 -16.7058 -16.7058 -16.7035 -16.7035 -16.5456 -16.5456 -16.5411 -16.5411 -3.1417 -3.1417 -3.1413 -3.1413 -2.3140 -2.3140 -2.2778 -2.2778 -2.2772 -2.2772 2.4924 2.4924 6.0620 6.0620 7.2947 7.2947 7.3473 7.3473 7.3604 7.3604 9.7795 9.7795 9.9504 9.9504 9.9842 9.9842 12.3484 12.3484 12.3589 12.3589 12.3623 12.3623 12.5521 12.5521 12.5623 12.5623 k = 0.4286 0.5000 0.4286 ( 3880 PWs) bands (ev): -38.2464 -38.2464 -38.2451 -38.2451 -38.2438 -38.2438 -17.3226 -17.3226 -17.2949 -17.2949 -17.2926 -17.2926 -16.9165 -16.9165 -16.8244 -16.8244 -16.7071 -16.7071 -16.7039 -16.7039 -16.5477 -16.5477 -16.5417 -16.5417 -3.1417 -3.1417 -3.1412 -3.1412 -2.3136 -2.3136 -2.2780 -2.2780 -2.2771 -2.2771 2.4729 2.4729 6.0585 6.0585 7.2951 7.2951 7.3648 7.3648 7.3829 7.3829 9.7719 9.7719 9.9386 9.9386 9.9836 9.9836 12.3642 12.3642 12.3760 12.3760 12.3810 12.3810 12.5453 12.5453 12.5559 12.5559 k = 0.4184 0.5000 0.4184 ( 3892 PWs) bands (ev): -38.2468 -38.2468 -38.2451 -38.2451 -38.2434 -38.2434 -17.3210 -17.3210 -17.2945 -17.2945 -17.2913 -17.2913 -16.9151 -16.9151 -16.8242 -16.8242 -16.7086 -16.7086 -16.7044 -16.7044 -16.5501 -16.5501 -16.5423 -16.5423 -3.1417 -3.1417 -3.1411 -3.1411 -2.3133 -2.3133 -2.2783 -2.2783 -2.2771 -2.2771 2.4508 2.4508 6.0538 6.0538 7.2965 7.2965 7.3845 7.3845 7.4088 7.4088 9.7628 9.7628 9.9264 9.9264 9.9836 9.9836 12.3821 12.3821 12.3934 12.3934 12.4011 12.4011 12.5380 12.5380 12.5484 12.5484 k = 0.4082 0.5000 0.4082 ( 3888 PWs) bands (ev): -38.2472 -38.2472 -38.2451 -38.2451 -38.2430 -38.2430 -17.3192 -17.3192 -17.2939 -17.2939 -17.2899 -17.2899 -16.9135 -16.9135 -16.8239 -16.8239 -16.7101 -16.7101 -16.7049 -16.7049 -16.5527 -16.5527 -16.5430 -16.5430 -3.1417 -3.1417 -3.1408 -3.1408 -2.3128 -2.3128 -2.2786 -2.2786 -2.2769 -2.2769 2.4262 2.4262 6.0477 6.0477 7.2991 7.2991 7.4064 7.4064 7.4380 7.4380 9.7522 9.7522 9.9145 9.9145 9.9842 9.9842 12.4018 12.4018 12.4097 12.4097 12.4221 12.4221 12.5307 12.5307 12.5407 12.5407 k = 0.3980 0.5000 0.3980 ( 3886 PWs) bands (ev): -38.2477 -38.2477 -38.2451 -38.2451 -38.2425 -38.2425 -17.3175 -17.3175 -17.2934 -17.2934 -17.2882 -17.2882 -16.9118 -16.9118 -16.8235 -16.8235 -16.7119 -16.7119 -16.7055 -16.7055 -16.5556 -16.5556 -16.5438 -16.5438 -3.1416 -3.1416 -3.1405 -3.1405 -2.3122 -2.3122 -2.2788 -2.2788 -2.2768 -2.2768 2.3994 2.3994 6.0400 6.0400 7.3033 7.3033 7.4302 7.4302 7.4704 7.4704 9.7398 9.7398 9.9034 9.9034 9.9855 9.9855 12.4208 12.4208 12.4249 12.4249 12.4436 12.4436 12.5224 12.5224 12.5356 12.5356 k = 0.3878 0.5000 0.3878 ( 3874 PWs) bands (ev): -38.2482 -38.2482 -38.2451 -38.2451 -38.2420 -38.2420 -17.3156 -17.3156 -17.2927 -17.2927 -17.2862 -17.2862 -16.9098 -16.9098 -16.8231 -16.8231 -16.7138 -16.7138 -16.7061 -16.7061 -16.5587 -16.5587 -16.5446 -16.5446 -3.1415 -3.1415 -3.1402 -3.1402 -2.3116 -2.3116 -2.2789 -2.2789 -2.2767 -2.2767 2.3704 2.3704 6.0303 6.0303 7.3094 7.3094 7.4558 7.4558 7.5059 7.5059 9.7255 9.7255 9.8939 9.8939 9.9877 9.9877 12.4276 12.4276 12.4471 12.4471 12.4650 12.4650 12.5114 12.5114 12.5370 12.5370 k = 0.3776 0.5000 0.3776 ( 3866 PWs) bands (ev): -38.2488 -38.2488 -38.2451 -38.2451 -38.2415 -38.2415 -17.3138 -17.3138 -17.2919 -17.2919 -17.2840 -17.2840 -16.9077 -16.9077 -16.8226 -16.8226 -16.7159 -16.7159 -16.7068 -16.7068 -16.5620 -16.5620 -16.5455 -16.5455 -3.1414 -3.1414 -3.1399 -3.1399 -2.3110 -2.3110 -2.2791 -2.2791 -2.2765 -2.2765 2.3395 2.3395 6.0187 6.0187 7.3178 7.3178 7.4829 7.4829 7.5446 7.5446 9.7094 9.7094 9.8863 9.8863 9.9907 9.9907 12.4256 12.4256 12.4711 12.4711 12.4860 12.4860 12.4985 12.4985 12.5457 12.5457 k = 0.3673 0.5000 0.3673 ( 3872 PWs) bands (ev): -38.2494 -38.2494 -38.2452 -38.2452 -38.2409 -38.2409 -17.3121 -17.3121 -17.2911 -17.2911 -17.2816 -17.2816 -16.9055 -16.9055 -16.8221 -16.8221 -16.7181 -16.7181 -16.7075 -16.7075 -16.5655 -16.5655 -16.5465 -16.5465 -3.1414 -3.1414 -3.1396 -3.1396 -2.3104 -2.3104 -2.2795 -2.2795 -2.2764 -2.2764 2.3069 2.3069 6.0047 6.0047 7.3286 7.3286 7.5113 7.5113 7.5861 7.5861 9.6914 9.6914 9.8811 9.8811 9.9946 9.9946 12.4164 12.4164 12.4799 12.4799 12.4995 12.4995 12.5067 12.5067 12.5593 12.5593 k = 0.3571 0.5000 0.3571 ( 3864 PWs) bands (ev): -38.2501 -38.2501 -38.2452 -38.2452 -38.2403 -38.2403 -17.3105 -17.3105 -17.2902 -17.2902 -17.2790 -17.2790 -16.9031 -16.9031 -16.8215 -16.8215 -16.7204 -16.7204 -16.7083 -16.7083 -16.5692 -16.5692 -16.5475 -16.5475 -3.1412 -3.1412 -3.1393 -3.1393 -2.3097 -2.3097 -2.2797 -2.2797 -2.2763 -2.2763 2.2727 2.2727 5.9884 5.9884 7.3423 7.3423 7.5410 7.5410 7.6305 7.6305 9.6718 9.6718 9.8785 9.8785 9.9995 9.9995 12.4023 12.4023 12.4636 12.4636 12.5230 12.5230 12.5284 12.5284 12.5755 12.5755 k = 0.3469 0.5000 0.3469 ( 3872 PWs) bands (ev): -38.2507 -38.2507 -38.2452 -38.2452 -38.2396 -38.2396 -17.3090 -17.3090 -17.2893 -17.2893 -17.2761 -17.2761 -16.9007 -16.9007 -16.8209 -16.8209 -16.7229 -16.7229 -16.7092 -16.7092 -16.5730 -16.5730 -16.5487 -16.5487 -3.1412 -3.1412 -3.1392 -3.1392 -2.3091 -2.3091 -2.2801 -2.2801 -2.2763 -2.2763 2.2372 2.2372 5.9697 5.9697 7.3590 7.3590 7.5714 7.5714 7.6777 7.6777 9.6507 9.6507 9.8784 9.8784 10.0052 10.0052 12.3844 12.3844 12.4445 12.4445 12.5421 12.5421 12.5553 12.5553 12.5920 12.5920 k = 0.3367 0.5000 0.3367 ( 3874 PWs) bands (ev): -38.2515 -38.2515 -38.2452 -38.2452 -38.2389 -38.2389 -17.3076 -17.3076 -17.2883 -17.2883 -17.2730 -17.2730 -16.8981 -16.8981 -16.8201 -16.8201 -16.7254 -16.7254 -16.7101 -16.7101 -16.5769 -16.5769 -16.5498 -16.5498 -3.1412 -3.1412 -3.1389 -3.1389 -2.3084 -2.3084 -2.2806 -2.2806 -2.2762 -2.2762 2.2005 2.2005 5.9486 5.9486 7.3788 7.3788 7.6026 7.6026 7.7275 7.7275 9.6286 9.6286 9.8810 9.8810 10.0120 10.0120 12.3638 12.3638 12.4235 12.4235 12.5588 12.5588 12.5844 12.5844 12.6079 12.6079 k = 0.3265 0.5000 0.3265 ( 3870 PWs) bands (ev): -38.2522 -38.2522 -38.2452 -38.2452 -38.2382 -38.2382 -17.3063 -17.3063 -17.2872 -17.2872 -17.2698 -17.2698 -16.8953 -16.8953 -16.8193 -16.8193 -16.7280 -16.7280 -16.7111 -16.7111 -16.5809 -16.5809 -16.5510 -16.5510 -3.1411 -3.1411 -3.1386 -3.1386 -2.3077 -2.3077 -2.2809 -2.2809 -2.2761 -2.2761 2.1628 2.1628 5.9251 5.9251 7.4018 7.4018 7.6343 7.6343 7.7798 7.7798 9.6059 9.6059 9.8861 9.8861 10.0197 10.0197 12.3407 12.3407 12.4009 12.4009 12.5738 12.5738 12.6146 12.6146 12.6222 12.6222 k = 0.3163 0.5000 0.3163 ( 3882 PWs) bands (ev): -38.2530 -38.2530 -38.2452 -38.2452 -38.2375 -38.2375 -17.3052 -17.3052 -17.2861 -17.2861 -17.2664 -17.2664 -16.8925 -16.8925 -16.8185 -16.8185 -16.7306 -16.7306 -16.7121 -16.7121 -16.5849 -16.5849 -16.5523 -16.5523 -3.1411 -3.1411 -3.1384 -3.1384 -2.3071 -2.3071 -2.2815 -2.2815 -2.2761 -2.2761 2.1243 2.1243 5.8993 5.8993 7.4281 7.4281 7.6662 7.6662 7.8345 7.8345 9.5828 9.5828 9.8936 9.8936 10.0283 10.0283 12.3154 12.3154 12.3767 12.3767 12.5871 12.5871 12.6346 12.6346 12.6458 12.6458 k = 0.3061 0.5000 0.3061 ( 3880 PWs) bands (ev): -38.2537 -38.2537 -38.2452 -38.2452 -38.2367 -38.2367 -17.3043 -17.3043 -17.2848 -17.2848 -17.2629 -17.2629 -16.8896 -16.8896 -16.8176 -16.8176 -16.7332 -16.7332 -16.7132 -16.7132 -16.5891 -16.5891 -16.5535 -16.5535 -3.1411 -3.1411 -3.1381 -3.1381 -2.3064 -2.3064 -2.2819 -2.2819 -2.2761 -2.2761 2.0853 2.0853 5.8715 5.8715 7.4577 7.4577 7.6982 7.6982 7.8914 7.8914 9.5598 9.5598 9.9034 9.9034 10.0380 10.0380 12.2879 12.2879 12.3511 12.3511 12.5989 12.5989 12.6449 12.6449 12.6779 12.6779 k = 0.2959 0.5000 0.2959 ( 3880 PWs) bands (ev): -38.2545 -38.2545 -38.2452 -38.2452 -38.2359 -38.2359 -17.3035 -17.3035 -17.2835 -17.2835 -17.2593 -17.2593 -16.8867 -16.8867 -16.8166 -16.8166 -16.7358 -16.7358 -16.7143 -16.7143 -16.5932 -16.5932 -16.5548 -16.5548 -3.1411 -3.1411 -3.1379 -3.1379 -2.3057 -2.3057 -2.2824 -2.2824 -2.2760 -2.2760 2.0458 2.0458 5.8418 5.8418 7.4904 7.4904 7.7301 7.7301 7.9505 7.9505 9.5369 9.5369 9.9154 9.9154 10.0486 10.0486 12.2582 12.2582 12.3241 12.3241 12.6091 12.6091 12.6529 12.6529 12.7109 12.7109 k = 0.2857 0.5000 0.2857 ( 3872 PWs) bands (ev): -38.2554 -38.2554 -38.2452 -38.2452 -38.2351 -38.2351 -17.3028 -17.3028 -17.2821 -17.2821 -17.2556 -17.2556 -16.8837 -16.8837 -16.8156 -16.8156 -16.7384 -16.7384 -16.7155 -16.7155 -16.5974 -16.5974 -16.5561 -16.5561 -3.1410 -3.1410 -3.1376 -3.1376 -2.3049 -2.3049 -2.2828 -2.2828 -2.2760 -2.2760 2.0061 2.0061 5.8105 5.8105 7.5261 7.5261 7.7617 7.7617 8.0114 8.0114 9.5147 9.5147 9.9293 9.9293 10.0602 10.0602 12.2266 12.2266 12.2960 12.2960 12.6179 12.6179 12.6588 12.6588 12.7449 12.7449 k = 0.2755 0.5000 0.2755 ( 3876 PWs) bands (ev): -38.2562 -38.2562 -38.2453 -38.2453 -38.2343 -38.2343 -17.3023 -17.3023 -17.2807 -17.2807 -17.2519 -17.2519 -16.8806 -16.8806 -16.8145 -16.8145 -16.7408 -16.7408 -16.7167 -16.7167 -16.6015 -16.6015 -16.5575 -16.5575 -3.1411 -3.1411 -3.1375 -3.1375 -2.3043 -2.3043 -2.2833 -2.2833 -2.2760 -2.2760 1.9663 1.9663 5.7778 5.7778 7.5647 7.5647 7.7927 7.7927 8.0740 8.0740 9.4932 9.4932 9.9449 9.9449 10.0728 10.0728 12.1928 12.1928 12.2668 12.2668 12.6254 12.6254 12.6627 12.6627 12.7797 12.7797 k = 0.2653 0.5000 0.2653 ( 3864 PWs) bands (ev): -38.2570 -38.2570 -38.2453 -38.2453 -38.2335 -38.2335 -17.3018 -17.3018 -17.2791 -17.2791 -17.2483 -17.2483 -16.8776 -16.8776 -16.8135 -16.8135 -16.7431 -16.7431 -16.7179 -16.7179 -16.6057 -16.6057 -16.5588 -16.5588 -3.1410 -3.1410 -3.1372 -3.1372 -2.3035 -2.3035 -2.2837 -2.2837 -2.2759 -2.2759 1.9266 1.9266 5.7440 5.7440 7.6060 7.6060 7.8231 7.8231 8.1383 8.1383 9.4727 9.4727 9.9622 9.9622 10.0865 10.0865 12.1571 12.1571 12.2368 12.2368 12.6317 12.6317 12.6649 12.6649 12.8153 12.8153 k = 0.2551 0.5000 0.2551 ( 3872 PWs) bands (ev): -38.2579 -38.2579 -38.2453 -38.2453 -38.2327 -38.2327 -17.3016 -17.3016 -17.2776 -17.2776 -17.2447 -17.2447 -16.8745 -16.8745 -16.8125 -16.8125 -16.7452 -16.7452 -16.7192 -16.7192 -16.6098 -16.6098 -16.5602 -16.5602 -3.1411 -3.1411 -3.1370 -3.1370 -2.3029 -2.3029 -2.2843 -2.2843 -2.2760 -2.2760 1.8870 1.8870 5.7093 5.7093 7.6497 7.6497 7.8524 7.8524 8.2038 8.2038 9.4534 9.4534 9.9807 9.9807 10.1011 10.1011 12.1193 12.1193 12.2061 12.2061 12.6370 12.6370 12.6655 12.6655 12.8518 12.8518 k = 0.2449 0.5000 0.2449 ( 3868 PWs) bands (ev): -38.2587 -38.2587 -38.2453 -38.2453 -38.2319 -38.2319 -17.3014 -17.3014 -17.2760 -17.2760 -17.2412 -17.2412 -16.8715 -16.8715 -16.8115 -16.8115 -16.7470 -16.7470 -16.7205 -16.7205 -16.6139 -16.6139 -16.5615 -16.5615 -3.1412 -3.1412 -3.1368 -3.1368 -2.3022 -2.3022 -2.2849 -2.2849 -2.2761 -2.2761 1.8479 1.8479 5.6740 5.6740 7.6956 7.6956 7.8807 7.8807 8.2705 8.2705 9.4355 9.4355 10.0003 10.0003 10.1167 10.1167 12.0798 12.0798 12.1748 12.1748 12.6413 12.6413 12.6650 12.6650 12.8891 12.8891 k = 0.2347 0.5000 0.2347 ( 3860 PWs) bands (ev): -38.2596 -38.2596 -38.2453 -38.2453 -38.2310 -38.2310 -17.3013 -17.3013 -17.2743 -17.2743 -17.2378 -17.2378 -16.8685 -16.8685 -16.8106 -16.8106 -16.7486 -16.7486 -16.7218 -16.7218 -16.6179 -16.6179 -16.5629 -16.5629 -3.1412 -3.1412 -3.1366 -3.1366 -2.3015 -2.3015 -2.2854 -2.2854 -2.2761 -2.2761 1.8092 1.8092 5.6383 5.6383 7.7435 7.7435 7.9077 7.9077 8.3382 8.3382 9.4193 9.4193 10.0207 10.0207 10.1334 10.1334 12.0386 12.0386 12.1431 12.1431 12.6449 12.6449 12.6638 12.6638 12.9272 12.9272 k = 0.2245 0.5000 0.2245 ( 3856 PWs) bands (ev): -38.2604 -38.2604 -38.2453 -38.2453 -38.2302 -38.2302 -17.3014 -17.3014 -17.2727 -17.2727 -17.2345 -17.2345 -16.8656 -16.8656 -16.8098 -16.8098 -16.7498 -16.7498 -16.7232 -16.7232 -16.6218 -16.6218 -16.5642 -16.5642 -3.1413 -3.1413 -3.1364 -3.1364 -2.3009 -2.3009 -2.2859 -2.2859 -2.2762 -2.2762 1.7713 1.7713 5.6026 5.6026 7.7931 7.7931 7.9333 7.9333 8.4064 8.4064 9.4049 9.4049 10.0417 10.0417 10.1510 10.1510 11.9959 11.9959 12.1113 12.1113 12.6474 12.6474 12.6626 12.6626 12.9661 12.9661 k = 0.2143 0.5000 0.2143 ( 3876 PWs) bands (ev): -38.2612 -38.2612 -38.2453 -38.2453 -38.2294 -38.2294 -17.3015 -17.3015 -17.2710 -17.2710 -17.2314 -17.2314 -16.8628 -16.8628 -16.8092 -16.8092 -16.7507 -16.7507 -16.7245 -16.7245 -16.6258 -16.6258 -16.5655 -16.5655 -3.1416 -3.1416 -3.1365 -3.1365 -2.3004 -2.3004 -2.2867 -2.2867 -2.2764 -2.2764 1.7341 1.7341 5.5671 5.5671 7.8440 7.8440 7.9573 7.9573 8.4750 8.4750 9.3924 9.3924 10.0630 10.0630 10.1694 10.1694 11.9518 11.9518 12.0793 12.0793 12.6482 12.6482 12.6623 12.6623 13.0057 13.0057 k = 0.2041 0.5000 0.2041 ( 3876 PWs) bands (ev): -38.2620 -38.2620 -38.2454 -38.2454 -38.2286 -38.2286 -17.3018 -17.3018 -17.2694 -17.2694 -17.2284 -17.2284 -16.8601 -16.8601 -16.8087 -16.8087 -16.7512 -16.7512 -16.7258 -16.7258 -16.6297 -16.6297 -16.5668 -16.5668 -3.1417 -3.1417 -3.1363 -3.1363 -2.2999 -2.2999 -2.2873 -2.2873 -2.2766 -2.2766 1.6978 1.6978 5.5319 5.5319 7.8958 7.8958 7.9800 7.9800 8.5438 8.5438 9.3819 9.3819 10.0844 10.0844 10.1887 10.1887 11.9068 11.9068 12.0475 12.0475 12.6468 12.6468 12.6642 12.6642 13.0459 13.0459 k = 0.1939 0.5000 0.1939 ( 3876 PWs) bands (ev): -38.2628 -38.2628 -38.2454 -38.2454 -38.2278 -38.2278 -17.3021 -17.3021 -17.2677 -17.2677 -17.2256 -17.2256 -16.8575 -16.8575 -16.8083 -16.8083 -16.7513 -16.7513 -16.7270 -16.7270 -16.6334 -16.6334 -16.5680 -16.5680 -3.1419 -3.1419 -3.1362 -3.1362 -2.2993 -2.2993 -2.2879 -2.2879 -2.2767 -2.2767 1.6625 1.6625 5.4974 5.4974 7.9478 7.9478 8.0016 8.0016 8.6126 8.6126 9.3736 9.3736 10.1057 10.1057 10.2086 10.2086 11.8609 11.8609 12.0159 12.0159 12.6439 12.6439 12.6679 12.6679 13.0866 13.0866 k = 0.1837 0.5000 0.1837 ( 3874 PWs) bands (ev): -38.2636 -38.2636 -38.2454 -38.2454 -38.2271 -38.2271 -17.3025 -17.3025 -17.2660 -17.2660 -17.2229 -17.2229 -16.8551 -16.8551 -16.8080 -16.8080 -16.7512 -16.7512 -16.7281 -16.7281 -16.6371 -16.6371 -16.5692 -16.5692 -3.1421 -3.1421 -3.1361 -3.1361 -2.2988 -2.2988 -2.2885 -2.2885 -2.2769 -2.2769 1.6284 1.6284 5.4636 5.4636 7.9964 7.9964 8.0252 8.0252 8.6808 8.6808 9.3674 9.3674 10.1267 10.1267 10.2291 10.2291 11.8147 11.8147 11.9847 11.9847 12.6403 12.6403 12.6730 12.6730 13.1279 13.1279 k = 0.1735 0.5000 0.1735 ( 3870 PWs) bands (ev): -38.2644 -38.2644 -38.2454 -38.2454 -38.2263 -38.2263 -17.3030 -17.3030 -17.2643 -17.2643 -17.2204 -17.2204 -16.8528 -16.8528 -16.8078 -16.8078 -16.7510 -16.7510 -16.7289 -16.7289 -16.6408 -16.6408 -16.5703 -16.5703 -3.1423 -3.1423 -3.1359 -3.1359 -2.2983 -2.2983 -2.2891 -2.2891 -2.2769 -2.2769 1.5956 1.5956 5.4308 5.4308 8.0276 8.0276 8.0647 8.0647 8.7484 8.7484 9.3634 9.3634 10.1473 10.1473 10.2498 10.2498 11.7682 11.7682 11.9541 11.9541 12.6363 12.6363 12.6796 12.6796 13.1694 13.1694 k = 0.1633 0.5000 0.1633 ( 3870 PWs) bands (ev): -38.2651 -38.2651 -38.2454 -38.2454 -38.2256 -38.2256 -17.3035 -17.3035 -17.2627 -17.2627 -17.2181 -17.2181 -16.8507 -16.8507 -16.8076 -16.8076 -16.7507 -16.7507 -16.7294 -16.7294 -16.6443 -16.6443 -16.5713 -16.5713 -3.1425 -3.1425 -3.1359 -3.1359 -2.2979 -2.2979 -2.2897 -2.2897 -2.2771 -2.2771 1.5640 1.5640 5.3991 5.3991 8.0450 8.0450 8.1157 8.1157 8.8149 8.8149 9.3615 9.3615 10.1673 10.1673 10.2703 10.2703 11.7218 11.7218 11.9242 11.9242 12.6322 12.6322 12.6877 12.6877 13.2111 13.2111 k = 0.1531 0.5000 0.1531 ( 3882 PWs) bands (ev): -38.2658 -38.2658 -38.2454 -38.2454 -38.2249 -38.2249 -17.3041 -17.3041 -17.2611 -17.2611 -17.2160 -17.2160 -16.8489 -16.8489 -16.8074 -16.8074 -16.7506 -16.7506 -16.7296 -16.7296 -16.6478 -16.6478 -16.5724 -16.5724 -3.1428 -3.1428 -3.1359 -3.1359 -2.2975 -2.2975 -2.2903 -2.2903 -2.2774 -2.2774 1.5339 1.5339 5.3687 5.3687 8.0587 8.0587 8.1684 8.1684 8.8799 8.8799 9.3617 9.3617 10.1867 10.1867 10.2906 10.2906 11.6758 11.6758 11.8951 11.8951 12.6280 12.6280 12.6975 12.6975 13.2528 13.2528 k = 0.1429 0.5000 0.1429 ( 3882 PWs) bands (ev): -38.2665 -38.2665 -38.2454 -38.2454 -38.2242 -38.2242 -17.3047 -17.3047 -17.2595 -17.2595 -17.2141 -17.2141 -16.8473 -16.8473 -16.8070 -16.8070 -16.7508 -16.7508 -16.7291 -16.7291 -16.6512 -16.6512 -16.5733 -16.5733 -3.1431 -3.1431 -3.1358 -3.1358 -2.2972 -2.2972 -2.2909 -2.2909 -2.2775 -2.2775 1.5054 1.5054 5.3397 5.3397 8.0700 8.0700 8.2208 8.2208 8.9433 8.9433 9.3639 9.3639 10.2055 10.2055 10.3103 10.3103 11.6306 11.6306 11.8670 11.8670 12.6240 12.6240 12.7092 12.7092 13.2943 13.2943 k = 0.1327 0.5000 0.1327 ( 3892 PWs) bands (ev): -38.2671 -38.2671 -38.2454 -38.2454 -38.2236 -38.2236 -17.3054 -17.3054 -17.2580 -17.2580 -17.2123 -17.2123 -16.8460 -16.8460 -16.8064 -16.8064 -16.7515 -16.7515 -16.7281 -16.7281 -16.6546 -16.6546 -16.5742 -16.5742 -3.1434 -3.1434 -3.1358 -3.1358 -2.2969 -2.2969 -2.2915 -2.2915 -2.2778 -2.2778 1.4785 1.4785 5.3122 5.3122 8.0795 8.0795 8.2723 8.2723 9.0046 9.0046 9.3677 9.3677 10.2234 10.2234 10.3292 10.3292 11.5864 11.5864 11.8400 11.8400 12.6201 12.6201 12.7228 12.7228 13.3352 13.3352 k = 0.1224 0.5000 0.1224 ( 3888 PWs) bands (ev): -38.2678 -38.2678 -38.2455 -38.2455 -38.2230 -38.2230 -17.3061 -17.3061 -17.2566 -17.2566 -17.2107 -17.2107 -16.8449 -16.8449 -16.8056 -16.8056 -16.7525 -16.7525 -16.7266 -16.7266 -16.6578 -16.6578 -16.5749 -16.5749 -3.1436 -3.1436 -3.1357 -3.1357 -2.2966 -2.2966 -2.2920 -2.2920 -2.2779 -2.2779 1.4532 1.4532 5.2863 5.2863 8.0873 8.0873 8.3224 8.3224 9.0635 9.0635 9.3731 9.3731 10.2405 10.2405 10.3470 10.3470 11.5437 11.5437 11.8143 11.8143 12.6163 12.6163 12.7386 12.7386 13.3754 13.3754 k = 0.1122 0.5000 0.1122 ( 3890 PWs) bands (ev): -38.2683 -38.2683 -38.2455 -38.2455 -38.2225 -38.2225 -17.3068 -17.3068 -17.2552 -17.2552 -17.2093 -17.2093 -16.8441 -16.8441 -16.8045 -16.8045 -16.7539 -16.7539 -16.7247 -16.7247 -16.6610 -16.6610 -16.5756 -16.5756 -3.1439 -3.1439 -3.1357 -3.1357 -2.2963 -2.2963 -2.2925 -2.2925 -2.2781 -2.2781 1.4297 1.4297 5.2622 5.2622 8.0936 8.0936 8.3706 8.3706 9.1195 9.1195 9.3798 9.3798 10.2566 10.2566 10.3636 10.3636 11.5027 11.5027 11.7899 11.7899 12.6128 12.6128 12.7566 12.7566 13.4144 13.4144 k = 0.1020 0.5000 0.1020 ( 3892 PWs) bands (ev): -38.2688 -38.2688 -38.2455 -38.2455 -38.2220 -38.2220 -17.3075 -17.3075 -17.2539 -17.2539 -17.2080 -17.2080 -16.8435 -16.8435 -16.8031 -16.8031 -16.7556 -16.7556 -16.7224 -16.7224 -16.6642 -16.6642 -16.5763 -16.5763 -3.1441 -3.1441 -3.1356 -3.1356 -2.2962 -2.2962 -2.2929 -2.2929 -2.2782 -2.2782 1.4081 1.4081 5.2399 5.2399 8.0986 8.0986 8.4165 8.4165 9.1722 9.1722 9.3874 9.3874 10.2716 10.2716 10.3788 10.3788 11.4637 11.4637 11.7670 11.7670 12.6095 12.6095 12.7765 12.7765 13.4519 13.4519 k = 0.0918 0.5000 0.0918 ( 3896 PWs) bands (ev): -38.2693 -38.2693 -38.2455 -38.2455 -38.2215 -38.2215 -17.3081 -17.3081 -17.2526 -17.2526 -17.2069 -17.2069 -16.8432 -16.8432 -16.8015 -16.8015 -16.7575 -16.7575 -16.7199 -16.7199 -16.6672 -16.6672 -16.5768 -16.5768 -3.1444 -3.1444 -3.1356 -3.1356 -2.2961 -2.2961 -2.2933 -2.2933 -2.2784 -2.2784 1.3883 1.3883 5.2196 5.2196 8.1024 8.1024 8.4598 8.4598 9.2214 9.2214 9.3958 9.3958 10.2853 10.2853 10.3925 10.3925 11.4272 11.4272 11.7458 11.7458 12.6064 12.6064 12.7984 12.7984 13.4873 13.4873 k = 0.0816 0.5000 0.0816 ( 3884 PWs) bands (ev): -38.2698 -38.2698 -38.2455 -38.2455 -38.2211 -38.2211 -17.3087 -17.3087 -17.2515 -17.2515 -17.2059 -17.2059 -16.8429 -16.8429 -16.7997 -16.7997 -16.7595 -16.7595 -16.7172 -16.7172 -16.6703 -16.6703 -16.5773 -16.5773 -3.1445 -3.1445 -3.1355 -3.1355 -2.2960 -2.2960 -2.2934 -2.2934 -2.2785 -2.2785 1.3705 1.3705 5.2012 5.2012 8.1054 8.1054 8.5000 8.5000 9.2666 9.2666 9.4046 9.4046 10.2978 10.2978 10.4048 10.4048 11.3933 11.3933 11.7264 11.7264 12.6036 12.6036 12.8219 12.8219 13.5202 13.5203 k = 0.0714 0.5000 0.0714 ( 3888 PWs) bands (ev): -38.2702 -38.2702 -38.2455 -38.2455 -38.2207 -38.2207 -17.3093 -17.3093 -17.2505 -17.2505 -17.2051 -17.2051 -16.8428 -16.8428 -16.7977 -16.7977 -16.7617 -16.7617 -16.7145 -16.7145 -16.6732 -16.6732 -16.5777 -16.5777 -3.1448 -3.1448 -3.1355 -3.1355 -2.2961 -2.2961 -2.2936 -2.2936 -2.2786 -2.2786 1.3546 1.3546 5.1848 5.1848 8.1074 8.1074 8.5366 8.5366 9.3073 9.3073 9.4133 9.4133 10.3088 10.3088 10.4155 10.4155 11.3626 11.3626 11.7088 11.7088 12.6010 12.6010 12.8464 12.8464 13.5147 13.5148 k = 0.0612 0.5000 0.0612 ( 3888 PWs) bands (ev): -38.2705 -38.2705 -38.2455 -38.2455 -38.2203 -38.2203 -17.3098 -17.3098 -17.2496 -17.2496 -17.2044 -17.2044 -16.8428 -16.8428 -16.7955 -16.7955 -16.7641 -16.7641 -16.7116 -16.7116 -16.6762 -16.6762 -16.5780 -16.5780 -3.1449 -3.1449 -3.1354 -3.1354 -2.2962 -2.2962 -2.2937 -2.2937 -2.2787 -2.2787 1.3407 1.3407 5.1705 5.1705 8.1090 8.1090 8.5694 8.5694 9.3433 9.3433 9.4219 9.4219 10.3183 10.3183 10.4248 10.4248 11.3351 11.3351 11.6933 11.6933 12.5988 12.5988 12.8714 12.8714 13.5036 13.5098 k = 0.0510 0.5000 0.0510 ( 3884 PWs) bands (ev): -38.2708 -38.2708 -38.2455 -38.2455 -38.2201 -38.2201 -17.3103 -17.3103 -17.2488 -17.2488 -17.2039 -17.2039 -16.8429 -16.8429 -16.7932 -16.7932 -16.7664 -16.7664 -16.7088 -16.7088 -16.6791 -16.6791 -16.5783 -16.5783 -3.1451 -3.1451 -3.1354 -3.1354 -2.2963 -2.2963 -2.2937 -2.2937 -2.2787 -2.2787 1.3290 1.3290 5.1584 5.1584 8.1100 8.1100 8.5979 8.5979 9.3742 9.3742 9.4299 9.4299 10.3263 10.3263 10.4326 10.4326 11.3114 11.3114 11.6800 11.6800 12.5969 12.5969 12.8961 12.8961 13.4918 13.4918 k = 0.0408 0.5000 0.0408 ( 3880 PWs) bands (ev): -38.2710 -38.2710 -38.2455 -38.2455 -38.2198 -38.2198 -17.3106 -17.3106 -17.2481 -17.2481 -17.2034 -17.2034 -16.8429 -16.8429 -16.7908 -16.7908 -16.7689 -16.7689 -16.7059 -16.7059 -16.6820 -16.6820 -16.5786 -16.5786 -3.1452 -3.1452 -3.1353 -3.1353 -2.2964 -2.2964 -2.2937 -2.2937 -2.2787 -2.2787 1.3193 1.3193 5.1484 5.1484 8.1107 8.1107 8.6218 8.6218 9.3995 9.3995 9.4374 9.4374 10.3329 10.3329 10.4390 10.4390 11.2915 11.2915 11.6689 11.6689 12.5952 12.5952 12.9193 12.9193 13.4820 13.4821 k = 0.0306 0.5000 0.0306 ( 3888 PWs) bands (ev): -38.2712 -38.2712 -38.2455 -38.2455 -38.2196 -38.2196 -17.3110 -17.3110 -17.2476 -17.2476 -17.2031 -17.2031 -16.8430 -16.8430 -16.7884 -16.7884 -16.7713 -16.7713 -16.7032 -16.7032 -16.6848 -16.6848 -16.5788 -16.5788 -3.1454 -3.1454 -3.1354 -3.1354 -2.2966 -2.2966 -2.2937 -2.2937 -2.2788 -2.2788 1.3118 1.3118 5.1405 5.1405 8.1111 8.1111 8.6407 8.6407 9.4187 9.4187 9.4441 9.4441 10.3378 10.3378 10.4440 10.4440 11.2758 11.2758 11.6601 11.6601 12.5940 12.5940 12.9396 12.9396 13.4732 13.4734 k = 0.0204 0.5000 0.0204 ( 3884 PWs) bands (ev): -38.2713 -38.2713 -38.2455 -38.2455 -38.2195 -38.2195 -17.3111 -17.3111 -17.2472 -17.2472 -17.2029 -17.2029 -16.8430 -16.8430 -16.7860 -16.7860 -16.7737 -16.7737 -16.7004 -16.7004 -16.6875 -16.6875 -16.5789 -16.5789 -3.1454 -3.1454 -3.1353 -3.1353 -2.2968 -2.2968 -2.2936 -2.2936 -2.2788 -2.2788 1.3064 1.3064 5.1350 5.1350 8.1113 8.1113 8.6543 8.6543 9.4314 9.4314 9.4503 9.4503 10.3414 10.3414 10.4476 10.4476 11.2643 11.2643 11.6538 11.6538 12.5931 12.5931 12.9557 12.9557 13.4650 13.4651 k = 0.0102 0.5000 0.0102 ( 3868 PWs) bands (ev): -38.2714 -38.2714 -38.2455 -38.2455 -38.2194 -38.2194 -17.3112 -17.3112 -17.2470 -17.2470 -17.2027 -17.2027 -16.8430 -16.8430 -16.7839 -16.7839 -16.7757 -16.7757 -16.6980 -16.6980 -16.6898 -16.6898 -16.5790 -16.5790 -3.1453 -3.1453 -3.1352 -3.1352 -2.2967 -2.2967 -2.2934 -2.2934 -2.2788 -2.2788 1.3032 1.3032 5.1316 5.1316 8.1115 8.1115 8.6626 8.6626 9.4381 9.4381 9.4552 9.4552 10.3436 10.3436 10.4499 10.4499 11.2574 11.2574 11.6500 11.6500 12.5925 12.5925 12.9662 12.9662 13.4590 13.4591 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -38.2715 -38.2715 -38.2455 -38.2455 -38.2194 -38.2194 -17.3113 -17.3113 -17.2469 -17.2469 -17.2027 -17.2027 -16.8430 -16.8430 -16.7830 -16.7830 -16.7767 -16.7767 -16.6968 -16.6968 -16.6911 -16.6911 -16.5790 -16.5790 -3.1453 -3.1453 -3.1352 -3.1352 -2.2967 -2.2967 -2.2934 -2.2934 -2.2788 -2.2788 1.3021 1.3021 5.1305 5.1305 8.1116 8.1116 8.6654 8.6654 9.4400 9.4400 9.4570 9.4570 10.3443 10.3443 10.4506 10.4506 11.2551 11.2551 11.6487 11.6487 12.5923 12.5923 12.9698 12.9698 13.4567 13.4568 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2850 -17.2850 -17.2654 -17.2654 -17.2489 -17.2489 -16.8422 -16.8422 -16.8074 -16.8074 -16.7836 -16.7836 -16.6855 -16.6855 -16.6821 -16.6821 -16.5497 -16.5497 -3.1387 -3.1387 -3.1362 -3.1362 -2.3011 -2.3011 -2.2855 -2.2855 -2.2702 -2.2702 1.9223 1.9223 6.0154 6.0154 7.1588 7.1588 7.1819 7.1819 8.9487 8.9487 9.6030 9.6030 9.6819 9.6819 10.3475 10.3475 12.3023 12.3023 12.3067 12.3067 12.4808 12.4808 12.4964 12.4964 12.9426 12.9426 k = 0.5000 0.5000 0.0143 ( 3900 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2850 -17.2850 -17.2655 -17.2655 -17.2490 -17.2490 -16.8426 -16.8426 -16.8074 -16.8074 -16.7832 -16.7832 -16.6878 -16.6878 -16.6795 -16.6795 -16.5496 -16.5496 -3.1387 -3.1387 -3.1362 -3.1362 -2.3012 -2.3012 -2.2855 -2.2855 -2.2703 -2.2703 1.9234 1.9234 6.0155 6.0155 7.1592 7.1592 7.1822 7.1822 8.9451 8.9451 9.6029 9.6029 9.6819 9.6819 10.3467 10.3467 12.3031 12.3031 12.3075 12.3075 12.4812 12.4812 12.4968 12.4968 12.9416 12.9416 k = 0.5000 0.5000 0.0286 ( 3892 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2850 -17.2850 -17.2658 -17.2658 -17.2493 -17.2493 -16.8437 -16.8437 -16.8076 -16.8076 -16.7820 -16.7820 -16.6910 -16.6910 -16.6754 -16.6754 -16.5496 -16.5496 -3.1386 -3.1386 -3.1362 -3.1362 -2.3012 -2.3012 -2.2854 -2.2854 -2.2703 -2.2703 1.9265 1.9265 6.0157 6.0157 7.1603 7.1603 7.1833 7.1833 8.9343 8.9343 9.6026 9.6026 9.6819 9.6819 10.3443 10.3443 12.3057 12.3057 12.3100 12.3100 12.4825 12.4825 12.4981 12.4981 12.9385 12.9385 k = 0.5000 0.5000 0.0429 ( 3892 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2851 -17.2851 -17.2664 -17.2664 -17.2499 -17.2499 -16.8456 -16.8456 -16.8080 -16.8080 -16.7801 -16.7801 -16.6939 -16.6939 -16.6709 -16.6709 -16.5495 -16.5495 -3.1387 -3.1387 -3.1362 -3.1362 -2.3013 -2.3013 -2.2854 -2.2854 -2.2703 -2.2703 1.9317 1.9317 6.0162 6.0162 7.1622 7.1622 7.1849 7.1849 8.9164 8.9164 9.6021 9.6021 9.6819 9.6819 10.3404 10.3404 12.3097 12.3097 12.3140 12.3140 12.4847 12.4847 12.5003 12.5003 12.9332 12.9332 k = 0.5000 0.5000 0.0571 ( 3884 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2853 -17.2853 -17.2672 -17.2672 -17.2507 -17.2507 -16.8479 -16.8479 -16.8085 -16.8085 -16.7776 -16.7776 -16.6966 -16.6966 -16.6661 -16.6661 -16.5493 -16.5493 -3.1387 -3.1387 -3.1363 -3.1363 -2.3014 -2.3014 -2.2853 -2.2853 -2.2703 -2.2703 1.9390 1.9390 6.0168 6.0168 7.1649 7.1649 7.1873 7.1873 8.8918 8.8918 9.6016 9.6016 9.6820 9.6820 10.3350 10.3350 12.3153 12.3153 12.3196 12.3196 12.4877 12.4877 12.5032 12.5032 12.9257 12.9257 k = 0.5000 0.5000 0.0714 ( 3884 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2855 -17.2855 -17.2682 -17.2682 -17.2518 -17.2518 -16.8508 -16.8508 -16.8091 -16.8091 -16.7748 -16.7748 -16.6989 -16.6989 -16.6611 -16.6611 -16.5492 -16.5492 -3.1387 -3.1387 -3.1364 -3.1364 -2.3016 -2.3016 -2.2851 -2.2851 -2.2705 -2.2705 1.9483 1.9483 6.0176 6.0176 7.1681 7.1681 7.1902 7.1902 8.8606 8.8606 9.6010 9.6010 9.6823 9.6823 10.3281 10.3281 12.3223 12.3223 12.3265 12.3265 12.4914 12.4914 12.5069 12.5069 12.9158 12.9158 k = 0.5000 0.5000 0.0857 ( 3872 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2857 -17.2857 -17.2694 -17.2694 -17.2530 -17.2530 -16.8539 -16.8539 -16.8098 -16.8098 -16.7716 -16.7716 -16.7010 -16.7010 -16.6559 -16.6559 -16.5490 -16.5490 -3.1386 -3.1386 -3.1365 -3.1365 -2.3019 -2.3019 -2.2848 -2.2848 -2.2707 -2.2707 1.9596 1.9596 6.0186 6.0186 7.1721 7.1721 7.1937 7.1937 8.8232 8.8232 9.6006 9.6006 9.6830 9.6830 10.3197 10.3197 12.3305 12.3305 12.3346 12.3346 12.4958 12.4958 12.5112 12.5112 12.9036 12.9036 k = 0.5000 0.5000 0.1000 ( 3896 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2860 -17.2860 -17.2710 -17.2710 -17.2545 -17.2545 -16.8573 -16.8573 -16.8106 -16.8106 -16.7682 -16.7682 -16.7028 -16.7028 -16.6506 -16.6506 -16.5488 -16.5488 -3.1389 -3.1389 -3.1368 -3.1368 -2.3024 -2.3024 -2.2848 -2.2848 -2.2710 -2.2710 1.9728 1.9728 6.0197 6.0197 7.1766 7.1766 7.1976 7.1976 8.7799 8.7799 9.6003 9.6003 9.6839 9.6839 10.3099 10.3099 12.3396 12.3396 12.3437 12.3437 12.5007 12.5007 12.5159 12.5159 12.8887 12.8887 k = 0.5000 0.5000 0.1143 ( 3880 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2863 -17.2863 -17.2726 -17.2726 -17.2560 -17.2560 -16.8607 -16.8607 -16.8115 -16.8115 -16.7646 -16.7646 -16.7042 -16.7042 -16.6450 -16.6450 -16.5485 -16.5485 -3.1389 -3.1389 -3.1368 -3.1368 -2.3027 -2.3027 -2.2845 -2.2845 -2.2711 -2.2711 1.9879 1.9879 6.0210 6.0210 7.1816 7.1816 7.2021 7.2021 8.7313 8.7313 9.6005 9.6005 9.6855 9.6855 10.2989 10.2989 12.3497 12.3497 12.3538 12.3538 12.5060 12.5060 12.5211 12.5211 12.8714 12.8714 k = 0.5000 0.5000 0.1286 ( 3880 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -38.2453 -17.2866 -17.2866 -17.2745 -17.2745 -17.2578 -17.2578 -16.8643 -16.8643 -16.8124 -16.8124 -16.7609 -16.7609 -16.7054 -16.7054 -16.6394 -16.6394 -16.5482 -16.5482 -3.1390 -3.1390 -3.1370 -3.1370 -2.3031 -2.3031 -2.2842 -2.2842 -2.2713 -2.2713 2.0048 2.0048 6.0225 6.0225 7.1871 7.1871 7.2069 7.2069 8.6779 8.6779 9.6011 9.6011 9.6876 9.6876 10.2866 10.2866 12.3605 12.3605 12.3645 12.3645 12.5116 12.5116 12.5264 12.5264 12.8518 12.8518 k = 0.5000 0.5000 0.1429 ( 3884 PWs) bands (ev): -38.2453 -38.2453 -38.2453 -38.2453 -38.2452 -38.2452 -17.2870 -17.2870 -17.2765 -17.2765 -17.2597 -17.2597 -16.8679 -16.8679 -16.8133 -16.8133 -16.7572 -16.7572 -16.7064 -16.7064 -16.6336 -16.6336 -16.5479 -16.5479 -3.1391 -3.1391 -3.1372 -3.1372 -2.3036 -2.3036 -2.2840 -2.2840 -2.2717 -2.2717 2.0233 2.0233 6.0241 6.0241 7.1930 7.1930 7.2120 7.2120 8.6200 8.6200 9.6022 9.6022 9.6905 9.6905 10.2732 10.2732 12.3717 12.3717 12.3758 12.3758 12.5171 12.5171 12.5316 12.5316 12.8298 12.8298 k = 0.5000 0.5000 0.1571 ( 3876 PWs) bands (ev): -38.2453 -38.2453 -38.2452 -38.2452 -38.2452 -38.2452 -17.2874 -17.2874 -17.2787 -17.2787 -17.2616 -17.2616 -16.8715 -16.8715 -16.8142 -16.8142 -16.7535 -16.7535 -16.7072 -16.7072 -16.6279 -16.6279 -16.5476 -16.5476 -3.1392 -3.1392 -3.1374 -3.1374 -2.3040 -2.3040 -2.2837 -2.2837 -2.2719 -2.2719 2.0435 2.0435 6.0258 6.0258 7.1991 7.1991 7.2174 7.2174 8.5585 8.5585 9.6041 9.6041 9.6944 9.6944 10.2588 10.2588 12.3833 12.3833 12.3874 12.3874 12.5224 12.5224 12.5365 12.5365 12.8057 12.8057 k = 0.5000 0.5000 0.1714 ( 3876 PWs) bands (ev): -38.2453 -38.2453 -38.2452 -38.2452 -38.2452 -38.2452 -17.2878 -17.2878 -17.2811 -17.2811 -17.2636 -17.2636 -16.8751 -16.8751 -16.8152 -16.8152 -16.7498 -16.7498 -16.7077 -16.7077 -16.6221 -16.6221 -16.5472 -16.5472 -3.1393 -3.1393 -3.1376 -3.1376 -2.3045 -2.3045 -2.2834 -2.2834 -2.2722 -2.2722 2.0651 2.0651 6.0277 6.0277 7.2056 7.2056 7.2230 7.2230 8.4936 8.4936 9.6069 9.6069 9.6992 9.6992 10.2435 10.2435 12.3951 12.3951 12.3993 12.3993 12.5272 12.5272 12.5408 12.5408 12.7797 12.7798 k = 0.5000 0.5000 0.1857 ( 3884 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.2883 -17.2883 -17.2837 -17.2837 -17.2657 -17.2657 -16.8787 -16.8787 -16.8161 -16.8161 -16.7462 -16.7462 -16.7081 -16.7081 -16.6163 -16.6163 -16.5469 -16.5469 -3.1395 -3.1395 -3.1379 -3.1379 -2.3051 -2.3051 -2.2832 -2.2832 -2.2726 -2.2726 2.0882 2.0882 6.0297 6.0297 7.2121 7.2121 7.2287 7.2287 8.4259 8.4259 9.6106 9.6106 9.7052 9.7052 10.2274 10.2274 12.4070 12.4070 12.4112 12.4112 12.5311 12.5311 12.5441 12.5441 12.7522 12.7522 k = 0.5000 0.5000 0.2000 ( 3884 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.2888 -17.2888 -17.2863 -17.2863 -17.2678 -17.2678 -16.8821 -16.8821 -16.8170 -16.8170 -16.7426 -16.7426 -16.7083 -16.7083 -16.6106 -16.6106 -16.5465 -16.5465 -3.1397 -3.1397 -3.1381 -3.1381 -2.3057 -2.3057 -2.2828 -2.2828 -2.2729 -2.2729 2.1124 2.1124 6.0318 6.0318 7.2187 7.2187 7.2344 7.2344 8.3562 8.3562 9.6154 9.6154 9.7125 9.7125 10.2107 10.2107 12.4189 12.4189 12.4232 12.4232 12.5339 12.5339 12.5463 12.5463 12.7235 12.7235 k = 0.5000 0.5000 0.2143 ( 3876 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.2893 -17.2893 -17.2890 -17.2890 -17.2700 -17.2700 -16.8855 -16.8855 -16.8178 -16.8178 -16.7391 -16.7391 -16.7084 -16.7084 -16.6049 -16.6049 -16.5460 -16.5460 -3.1397 -3.1397 -3.1383 -3.1383 -2.3062 -2.3062 -2.2825 -2.2825 -2.2732 -2.2732 2.1378 2.1378 6.0340 6.0340 7.2254 7.2254 7.2401 7.2401 8.2848 8.2848 9.6213 9.6213 9.7211 9.7211 10.1935 10.1935 12.4306 12.4306 12.4350 12.4350 12.5352 12.5352 12.5470 12.5470 12.6939 12.6939 k = 0.5000 0.5000 0.2286 ( 3876 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.2919 -17.2919 -17.2898 -17.2898 -17.2721 -17.2721 -16.8888 -16.8888 -16.8186 -16.8186 -16.7357 -16.7357 -16.7083 -16.7083 -16.5994 -16.5994 -16.5456 -16.5456 -3.1399 -3.1399 -3.1386 -3.1386 -2.3068 -2.3068 -2.2821 -2.2821 -2.2736 -2.2736 2.1641 2.1641 6.0363 6.0363 7.2320 7.2320 7.2457 7.2457 8.2124 8.2124 9.6284 9.6284 9.7310 9.7310 10.1760 10.1760 12.4422 12.4422 12.4467 12.4467 12.5348 12.5348 12.5459 12.5459 12.6638 12.6638 k = 0.5000 0.5000 0.2429 ( 3848 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.2947 -17.2947 -17.2902 -17.2902 -17.2741 -17.2741 -16.8918 -16.8918 -16.8193 -16.8193 -16.7324 -16.7324 -16.7081 -16.7081 -16.5939 -16.5939 -16.5451 -16.5451 -3.1398 -3.1398 -3.1386 -3.1386 -2.3072 -2.3072 -2.2816 -2.2816 -2.2737 -2.2737 2.1913 2.1913 6.0387 6.0387 7.2385 7.2385 7.2513 7.2513 8.1396 8.1396 9.6367 9.6367 9.7424 9.7424 10.1585 10.1585 12.4536 12.4536 12.4580 12.4580 12.5325 12.5325 12.5430 12.5430 12.6334 12.6334 k = 0.5000 0.5000 0.2571 ( 3856 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.2976 -17.2976 -17.2907 -17.2907 -17.2762 -17.2762 -16.8949 -16.8949 -16.8200 -16.8200 -16.7293 -16.7293 -16.7079 -16.7079 -16.5886 -16.5886 -16.5447 -16.5447 -3.1400 -3.1400 -3.1389 -3.1389 -2.3079 -2.3079 -2.2813 -2.2813 -2.2740 -2.2740 2.2189 2.2189 6.0411 6.0411 7.2447 7.2447 7.2565 7.2565 8.0667 8.0667 9.6461 9.6461 9.7550 9.7550 10.1408 10.1408 12.4645 12.4645 12.4689 12.4689 12.5279 12.5279 12.5379 12.5379 12.6032 12.6032 k = 0.5000 0.5000 0.2714 ( 3872 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.3005 -17.3005 -17.2913 -17.2913 -17.2783 -17.2783 -16.8978 -16.8978 -16.8207 -16.8207 -16.7264 -16.7264 -16.7076 -16.7076 -16.5835 -16.5835 -16.5443 -16.5443 -3.1403 -3.1403 -3.1393 -3.1393 -2.3086 -2.3086 -2.2810 -2.2810 -2.2745 -2.2745 2.2468 2.2468 6.0434 6.0434 7.2506 7.2506 7.2615 7.2615 7.9943 7.9943 9.6565 9.6565 9.7689 9.7689 10.1232 10.1232 12.4751 12.4751 12.4790 12.4790 12.5211 12.5211 12.5310 12.5310 12.5734 12.5734 k = 0.5000 0.5000 0.2857 ( 3868 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.3033 -17.3033 -17.2918 -17.2918 -17.2803 -17.2803 -16.9005 -16.9005 -16.8213 -16.8213 -16.7235 -16.7235 -16.7072 -16.7072 -16.5786 -16.5786 -16.5438 -16.5438 -3.1404 -3.1404 -3.1395 -3.1395 -2.3092 -2.3092 -2.2807 -2.2807 -2.2748 -2.2748 2.2750 2.2750 6.0459 6.0459 7.2563 7.2563 7.2662 7.2662 7.9231 7.9231 9.6681 9.6681 9.7841 9.7841 10.1061 10.1061 12.4851 12.4851 12.4875 12.4875 12.5121 12.5121 12.5229 12.5229 12.5445 12.5445 k = 0.5000 0.5000 0.3000 ( 3852 PWs) bands (ev): -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -38.2452 -17.3061 -17.3061 -17.2923 -17.2923 -17.2821 -17.2821 -16.9031 -16.9031 -16.8218 -16.8218 -16.7208 -16.7208 -16.7068 -16.7068 -16.5738 -16.5738 -16.5433 -16.5433 -3.1404 -3.1404 -3.1397 -3.1397 -2.3097 -2.3097 -2.2801 -2.2801 -2.2750 -2.2750 2.3031 2.3031 6.0483 6.0483 7.2617 7.2617 7.2707 7.2707 7.8535 7.8535 9.6804 9.6804 9.8004 9.8004 10.0895 10.0895 12.4914 12.4914 12.4925 12.4925 12.5022 12.5022 12.5170 12.5170 12.5173 12.5173 k = 0.5000 0.5000 0.3143 ( 3868 PWs) bands (ev): -38.2452 -38.2452 -38.2451 -38.2451 -38.2451 -38.2451 -17.3089 -17.3089 -17.2928 -17.2928 -17.2840 -17.2840 -16.9055 -16.9055 -16.8224 -16.8224 -16.7184 -16.7184 -16.7064 -16.7064 -16.5694 -16.5694 -16.5429 -16.5429 -3.1407 -3.1407 -3.1401 -3.1401 -2.3105 -2.3105 -2.2799 -2.2799 -2.2754 -2.2754 2.3309 2.3309 6.0507 6.0507 7.2667 7.2667 7.2748 7.2748 7.7859 7.7859 9.6933 9.6933 9.8175 9.8175 10.0736 10.0736 12.4833 12.4833 12.4849 12.4849 12.4894 12.4894 12.5079 12.5079 12.5188 12.5188 k = 0.5000 0.5000 0.3286 ( 3868 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3115 -17.3115 -17.2933 -17.2933 -17.2857 -17.2857 -16.9078 -16.9078 -16.8228 -16.8228 -16.7160 -16.7160 -16.7059 -16.7059 -16.5652 -16.5652 -16.5425 -16.5425 -3.1408 -3.1408 -3.1403 -3.1403 -2.3111 -2.3111 -2.2795 -2.2795 -2.2757 -2.2757 2.3581 2.3581 6.0530 6.0530 7.2713 7.2713 7.2785 7.2785 7.7210 7.7210 9.7066 9.7066 9.8353 9.8353 10.0587 10.0587 12.4615 12.4615 12.4711 12.4711 12.4711 12.4711 12.5158 12.5158 12.5255 12.5255 k = 0.5000 0.5000 0.3429 ( 3876 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3140 -17.3140 -17.2937 -17.2937 -17.2873 -17.2873 -16.9099 -16.9099 -16.8232 -16.8232 -16.7139 -16.7139 -16.7055 -16.7055 -16.5613 -16.5613 -16.5421 -16.5421 -3.1410 -3.1410 -3.1406 -3.1406 -2.3118 -2.3118 -2.2793 -2.2793 -2.2760 -2.2760 2.3844 2.3844 6.0552 6.0552 7.2754 7.2754 7.2819 7.2819 7.6591 7.6591 9.7200 9.7200 9.8535 9.8535 10.0449 10.0449 12.4378 12.4378 12.4536 12.4536 12.4544 12.4544 12.5240 12.5240 12.5332 12.5332 k = 0.5000 0.5000 0.3571 ( 3884 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3164 -17.3164 -17.2942 -17.2942 -17.2888 -17.2888 -16.9118 -16.9118 -16.8236 -16.8236 -16.7119 -16.7119 -16.7050 -16.7050 -16.5577 -16.5577 -16.5417 -16.5417 -3.1412 -3.1412 -3.1408 -3.1408 -2.3124 -2.3124 -2.2790 -2.2790 -2.2762 -2.2762 2.4097 2.4097 6.0573 6.0573 7.2792 7.2792 7.2849 7.2849 7.6008 7.6008 9.7332 9.7332 9.8719 9.8719 10.0324 10.0324 12.4154 12.4154 12.4351 12.4351 12.4360 12.4360 12.5318 12.5318 12.5409 12.5409 k = 0.5000 0.5000 0.3714 ( 3884 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3186 -17.3186 -17.2946 -17.2946 -17.2902 -17.2902 -16.9136 -16.9136 -16.8239 -16.8239 -16.7101 -16.7101 -16.7046 -16.7046 -16.5543 -16.5543 -16.5413 -16.5413 -3.1414 -3.1414 -3.1410 -3.1410 -2.3128 -2.3128 -2.2788 -2.2788 -2.2764 -2.2764 2.4336 2.4336 6.0593 6.0593 7.2825 7.2825 7.2876 7.2876 7.5465 7.5465 9.7458 9.7458 9.8902 9.8902 10.0215 10.0215 12.3947 12.3947 12.4160 12.4160 12.4169 12.4169 12.5391 12.5391 12.5480 12.5480 k = 0.5000 0.5000 0.3857 ( 3888 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3206 -17.3206 -17.2950 -17.2950 -17.2915 -17.2915 -16.9152 -16.9152 -16.8242 -16.8242 -16.7085 -16.7085 -16.7042 -16.7042 -16.5513 -16.5513 -16.5410 -16.5410 -3.1416 -3.1416 -3.1412 -3.1412 -2.3133 -2.3133 -2.2787 -2.2787 -2.2766 -2.2766 2.4559 2.4559 6.0612 6.0612 7.2854 7.2854 7.2899 7.2899 7.4966 7.4966 9.7575 9.7575 9.9079 9.9079 10.0122 10.0122 12.3759 12.3759 12.3967 12.3967 12.3976 12.3976 12.5458 12.5458 12.5546 12.5546 k = 0.5000 0.5000 0.4000 ( 3884 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3224 -17.3224 -17.2953 -17.2953 -17.2926 -17.2926 -16.9166 -16.9166 -16.8244 -16.8244 -16.7071 -16.7071 -16.7038 -16.7038 -16.5486 -16.5486 -16.5407 -16.5407 -3.1416 -3.1416 -3.1413 -3.1413 -2.3137 -2.3137 -2.2784 -2.2784 -2.2768 -2.2768 2.4763 2.4763 6.0629 6.0629 7.2880 7.2880 7.2919 7.2919 7.4516 7.4516 9.7680 9.7680 9.9248 9.9248 10.0046 10.0046 12.3591 12.3591 12.3779 12.3779 12.3788 12.3788 12.5518 12.5518 12.5605 12.5605 k = 0.5000 0.5000 0.4143 ( 3876 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3240 -17.3240 -17.2956 -17.2956 -17.2936 -17.2936 -16.9178 -16.9178 -16.8246 -16.8246 -16.7058 -16.7058 -16.7034 -16.7034 -16.5462 -16.5462 -16.5404 -16.5404 -3.1416 -3.1416 -3.1415 -3.1415 -2.3140 -2.3140 -2.2780 -2.2780 -2.2769 -2.2769 2.4946 2.4946 6.0644 6.0644 7.2902 7.2902 7.2936 7.2936 7.4118 7.4118 9.7770 9.7770 9.9404 9.9404 9.9989 9.9989 12.3444 12.3444 12.3600 12.3600 12.3610 12.3610 12.5571 12.5571 12.5656 12.5656 k = 0.5000 0.5000 0.4286 ( 3876 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3254 -17.3254 -17.2958 -17.2958 -17.2945 -17.2945 -16.9188 -16.9188 -16.8248 -16.8248 -16.7047 -16.7047 -16.7031 -16.7031 -16.5442 -16.5442 -16.5401 -16.5401 -3.1417 -3.1417 -3.1416 -3.1416 -2.3143 -2.3143 -2.2778 -2.2778 -2.2771 -2.2771 2.5105 2.5105 6.0657 6.0657 7.2921 7.2921 7.2950 7.2950 7.3775 7.3775 9.7845 9.7845 9.9544 9.9544 9.9947 9.9947 12.3318 12.3318 12.3438 12.3438 12.3448 12.3448 12.5617 12.5617 12.5697 12.5697 k = 0.5000 0.5000 0.4429 ( 3892 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3265 -17.3265 -17.2961 -17.2961 -17.2952 -17.2952 -16.9197 -16.9197 -16.8249 -16.8249 -16.7039 -16.7039 -16.7028 -16.7028 -16.5425 -16.5425 -16.5399 -16.5399 -3.1418 -3.1418 -3.1418 -3.1418 -2.3147 -2.3147 -2.2777 -2.2777 -2.2774 -2.2774 2.5238 2.5238 6.0668 6.0668 7.2935 7.2935 7.2961 7.2961 7.3489 7.3489 9.7903 9.7903 9.9664 9.9664 9.9919 9.9919 12.3214 12.3214 12.3296 12.3296 12.3307 12.3307 12.5654 12.5655 12.5726 12.5726 k = 0.5000 0.5000 0.4571 ( 3892 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3274 -17.3274 -17.2962 -17.2962 -17.2957 -17.2957 -16.9203 -16.9203 -16.8250 -16.8250 -16.7033 -16.7033 -16.7026 -16.7026 -16.5413 -16.5413 -16.5398 -16.5398 -3.1419 -3.1419 -3.1419 -3.1419 -2.3149 -2.3149 -2.2776 -2.2776 -2.2775 -2.2775 2.5343 2.5343 6.0677 6.0677 7.2946 7.2946 7.2969 7.2969 7.3265 7.3265 9.7945 9.7945 9.9761 9.9761 9.9903 9.9903 12.3132 12.3132 12.3182 12.3182 12.3193 12.3193 12.5684 12.5684 12.5739 12.5741 k = 0.5000 0.5000 0.4714 ( 3892 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3281 -17.3281 -17.2964 -17.2964 -17.2961 -17.2961 -16.9208 -16.9208 -16.8251 -16.8251 -16.7028 -16.7028 -16.7025 -16.7025 -16.5403 -16.5403 -16.5397 -16.5397 -3.1420 -3.1420 -3.1419 -3.1419 -2.3150 -2.3150 -2.2775 -2.2775 -2.2775 -2.2775 2.5420 2.5420 6.0683 6.0683 7.2954 7.2954 7.2975 7.2975 7.3103 7.3103 9.7974 9.7974 9.9832 9.9832 9.9895 9.9895 12.3070 12.3070 12.3099 12.3099 12.3108 12.3108 12.5705 12.5707 12.5736 12.5737 k = 0.5000 0.5000 0.4857 ( 3900 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3285 -17.3285 -17.2964 -17.2964 -17.2964 -17.2964 -16.9211 -16.9211 -16.8252 -16.8252 -16.7025 -16.7025 -16.7024 -16.7024 -16.5398 -16.5398 -16.5396 -16.5396 -3.1421 -3.1421 -3.1420 -3.1420 -2.3152 -2.3152 -2.2776 -2.2776 -2.2775 -2.2775 2.5466 2.5466 6.0687 6.0687 7.2959 7.2959 7.2973 7.2973 7.3011 7.3011 9.7990 9.7990 9.9876 9.9876 9.9892 9.9892 12.3028 12.3028 12.3053 12.3053 12.3056 12.3056 12.5718 12.5718 12.5726 12.5728 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -38.2451 -17.3286 -17.3286 -17.2965 -17.2965 -17.2965 -17.2965 -16.9212 -16.9212 -16.8252 -16.8252 -16.7024 -16.7024 -16.7024 -16.7024 -16.5396 -16.5396 -16.5396 -16.5396 -3.1421 -3.1421 -3.1421 -3.1421 -2.3152 -2.3152 -2.2777 -2.2777 -2.2777 -2.2777 2.5481 2.5481 6.0688 6.0688 7.2960 7.2960 7.2960 7.2960 7.2991 7.2991 9.7995 9.7995 9.9891 9.9891 9.9891 9.9891 12.3013 12.3013 12.3038 12.3038 12.3038 12.3038 12.5721 12.5721 12.5722 12.5723 Writing output data file Sc3InC.save init_run : 0.40s CPU 0.63s WALL ( 1 calls) electrons : 306.00s CPU 311.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 305.99s CPU 311.03s 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 : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 269 calls) cegterg : 292.93s CPU 296.88s WALL ( 957 calls) Called by sum_band: Called by *egterg: h_psi : 126.70s CPU 128.61s WALL ( 17991 calls) s_psi : 9.27s CPU 9.10s WALL ( 17991 calls) g_psi : 0.33s CPU 0.34s WALL ( 16765 calls) cdiaghg : 138.03s CPU 140.16s WALL ( 17034 calls) cegterg:over : 10.05s CPU 10.16s WALL ( 16765 calls) cegterg:upda : 10.47s CPU 10.43s WALL ( 16765 calls) cegterg:last : 3.86s CPU 3.95s WALL ( 1792 calls) cdiaghg:chol : 7.82s CPU 7.75s WALL ( 17034 calls) cdiaghg:inve : 5.24s CPU 5.25s WALL ( 17034 calls) cdiaghg:para : 8.29s CPU 8.51s WALL ( 34068 calls) Called by h_psi: h_psi:vloc : 106.87s CPU 108.42s WALL ( 17991 calls) h_psi:vnl : 19.47s CPU 19.84s WALL ( 17991 calls) add_vuspsi : 10.47s CPU 10.69s WALL ( 17991 calls) General routines calbec : 8.98s CPU 9.10s WALL ( 17991 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 98.66s CPU 100.13s WALL ( 1279012 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.18s WALL ( 538 calls) Parallel routines fft_scatter : 35.99s CPU 36.44s WALL ( 1279035 calls) PWSCF : 5m21.25s CPU 5m40.56s WALL This run was terminated on: 17: 3:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=