Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48: 1 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: ./Sc3AlC.save/ 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 63 32 9 2289 825 135 Max 64 33 10 2294 843 140 Sum 2289 1177 349 82519 29855 4945 bravais-lattice index = 14 lattice parameter (alat) = 8.4660 a.u. unit-cell volume = 606.7790 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 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)= 8.465972 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sc 11.00 44.95590 Sc( 1.00) C 4.00 12.01070 C( 1.00) Al 3.00 26.98150 Al( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036364 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036364 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036364 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036364 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036364 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036364 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036364 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036364 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036364 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036364 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036364 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036364 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036364 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036364 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036364 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036364 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036364 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036364 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036364 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036364 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036364 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036364 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0036364 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036364 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036364 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036364 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036364 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0036364 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036364 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036364 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036364 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036364 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036364 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036364 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036364 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0036364 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0036364 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0036364 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0036364 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0036364 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036364 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0036364 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0036364 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036364 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0036364 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0036364 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036364 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0036364 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0036364 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036364 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0036364 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0036364 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036364 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0036364 k( 58) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0036364 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036364 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0036364 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0036364 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036364 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0036364 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0036364 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036364 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0036364 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0036364 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036364 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0036364 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0036364 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036364 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0036364 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0036364 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036364 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036364 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036364 k( 79) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036364 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036364 k( 81) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036364 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036364 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036364 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036364 k( 85) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036364 k( 86) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036364 k( 87) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036364 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036364 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036364 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036364 k( 91) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036364 k( 92) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036364 k( 93) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036364 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036364 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036364 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036364 k( 97) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036364 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036364 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036364 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036364 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036364 k( 102) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036364 k( 103) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036364 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036364 k( 105) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036364 k( 106) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036364 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036364 k( 108) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036364 k( 109) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036364 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036364 k( 111) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036364 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036364 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036364 k( 114) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036364 k( 115) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036364 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036364 k( 117) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036364 k( 118) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036364 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036364 k( 120) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036364 k( 121) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036364 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036364 k( 123) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036364 k( 124) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036364 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 127) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036364 k( 128) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036364 k( 129) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036364 k( 130) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036364 k( 131) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036364 k( 132) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036364 k( 133) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036364 k( 134) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036364 k( 135) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036364 k( 136) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036364 k( 137) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036364 k( 138) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036364 k( 139) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036364 k( 140) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036364 k( 141) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036364 k( 142) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036364 k( 143) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036364 k( 144) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036364 k( 145) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036364 k( 146) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036364 k( 147) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036364 k( 148) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036364 k( 149) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036364 k( 150) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036364 k( 151) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036364 k( 152) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036364 k( 153) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036364 k( 154) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036364 k( 155) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036364 k( 156) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036364 k( 157) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036364 k( 158) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036364 k( 159) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036364 k( 160) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036364 k( 161) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036364 k( 162) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036364 k( 163) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036364 k( 164) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036364 k( 165) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036364 k( 166) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036364 k( 167) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036364 k( 168) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036364 k( 169) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036364 k( 170) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036364 k( 171) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036364 k( 172) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036364 k( 173) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036364 k( 174) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036364 k( 175) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036364 k( 176) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036364 k( 177) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036364 k( 178) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036364 k( 179) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036364 k( 180) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036364 k( 181) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036364 k( 182) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036364 k( 183) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036364 k( 184) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036364 k( 185) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036364 k( 186) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036364 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 k( 189) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036364 k( 190) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036364 k( 191) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036364 k( 192) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036364 k( 193) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036364 k( 194) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036364 k( 195) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036364 k( 196) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036364 k( 197) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036364 k( 198) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036364 k( 199) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036364 k( 200) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036364 k( 201) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036364 k( 202) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036364 k( 203) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036364 k( 204) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036364 k( 205) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036364 k( 206) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036364 k( 207) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036364 k( 208) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036364 k( 209) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036364 k( 210) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036364 k( 211) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036364 k( 212) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036364 k( 213) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036364 k( 214) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036364 k( 215) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036364 k( 216) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036364 k( 217) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036364 k( 218) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036364 k( 219) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036364 k( 220) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036364 k( 221) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036364 k( 222) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036364 k( 223) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036364 k( 224) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036364 k( 225) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036364 k( 226) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036364 k( 227) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036364 k( 228) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036364 k( 229) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036364 k( 230) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036364 k( 231) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036364 k( 232) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036364 k( 233) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036364 k( 234) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036364 k( 235) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036364 k( 236) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036364 k( 237) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036364 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0036364 k( 260) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0036364 k( 261) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0036364 k( 262) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0036364 k( 263) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0036364 k( 264) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0036364 k( 265) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0036364 k( 266) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0036364 k( 267) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0036364 k( 268) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0036364 k( 269) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0036364 k( 270) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0036364 k( 271) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0036364 k( 272) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0036364 k( 273) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0036364 k( 274) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0036364 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036364 Dense grid: 82519 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 29855 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 208, 48) NL pseudopotentials 0.24 Mb ( 104, 150) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2291) G-vector shells 0.00 Mb ( 475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 208, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 150, 2, 48) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./Sc3AlC.save/charge-density.dat Starting wfc are 76 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 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 6.4 secs Computing kpt #: 3 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 8.0 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.5 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.0 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.5 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.8 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 15.2 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.6 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.0 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.4 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.8 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 22.2 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.5 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.9 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 26.3 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.7 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.1 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.4 secs Computing kpt #: 20 total cpu time spent up to now is 31.5 secs Computing kpt #: 21 total cpu time spent up to now is 32.4 secs Computing kpt #: 22 total cpu time spent up to now is 33.2 secs Computing kpt #: 23 total cpu time spent up to now is 33.9 secs Computing kpt #: 24 total cpu time spent up to now is 34.6 secs Computing kpt #: 25 total cpu time spent up to now is 35.2 secs Computing kpt #: 26 total cpu time spent up to now is 35.8 secs Computing kpt #: 27 total cpu time spent up to now is 36.4 secs Computing kpt #: 28 total cpu time spent up to now is 37.0 secs Computing kpt #: 29 total cpu time spent up to now is 37.6 secs Computing kpt #: 30 total cpu time spent up to now is 38.1 secs Computing kpt #: 31 total cpu time spent up to now is 38.6 secs Computing kpt #: 32 total cpu time spent up to now is 39.1 secs Computing kpt #: 33 total cpu time spent up to now is 39.7 secs Computing kpt #: 34 total cpu time spent up to now is 40.2 secs Computing kpt #: 35 total cpu time spent up to now is 40.7 secs Computing kpt #: 36 total cpu time spent up to now is 41.2 secs Computing kpt #: 37 total cpu time spent up to now is 41.7 secs Computing kpt #: 38 total cpu time spent up to now is 42.3 secs Computing kpt #: 39 total cpu time spent up to now is 42.8 secs Computing kpt #: 40 total cpu time spent up to now is 43.3 secs Computing kpt #: 41 total cpu time spent up to now is 43.8 secs Computing kpt #: 42 total cpu time spent up to now is 44.4 secs Computing kpt #: 43 total cpu time spent up to now is 44.9 secs Computing kpt #: 44 total cpu time spent up to now is 45.4 secs Computing kpt #: 45 total cpu time spent up to now is 45.9 secs Computing kpt #: 46 total cpu time spent up to now is 46.5 secs Computing kpt #: 47 total cpu time spent up to now is 47.0 secs Computing kpt #: 48 total cpu time spent up to now is 47.6 secs Computing kpt #: 49 total cpu time spent up to now is 48.1 secs Computing kpt #: 50 total cpu time spent up to now is 48.7 secs Computing kpt #: 51 total cpu time spent up to now is 49.3 secs Computing kpt #: 52 total cpu time spent up to now is 49.9 secs Computing kpt #: 53 total cpu time spent up to now is 50.6 secs Computing kpt #: 54 total cpu time spent up to now is 51.2 secs Computing kpt #: 55 total cpu time spent up to now is 51.9 secs Computing kpt #: 56 total cpu time spent up to now is 52.5 secs Computing kpt #: 57 total cpu time spent up to now is 53.2 secs Computing kpt #: 58 total cpu time spent up to now is 53.9 secs Computing kpt #: 59 total cpu time spent up to now is 54.6 secs Computing kpt #: 60 total cpu time spent up to now is 55.3 secs Computing kpt #: 61 total cpu time spent up to now is 56.0 secs Computing kpt #: 62 total cpu time spent up to now is 56.6 secs Computing kpt #: 63 total cpu time spent up to now is 57.3 secs Computing kpt #: 64 total cpu time spent up to now is 57.9 secs Computing kpt #: 65 total cpu time spent up to now is 58.5 secs Computing kpt #: 66 total cpu time spent up to now is 59.2 secs Computing kpt #: 67 total cpu time spent up to now is 59.9 secs Computing kpt #: 68 total cpu time spent up to now is 60.7 secs Computing kpt #: 69 total cpu time spent up to now is 61.5 secs Computing kpt #: 70 total cpu time spent up to now is 62.2 secs Computing kpt #: 71 total cpu time spent up to now is 62.9 secs Computing kpt #: 72 total cpu time spent up to now is 63.7 secs Computing kpt #: 73 total cpu time spent up to now is 64.5 secs Computing kpt #: 74 total cpu time spent up to now is 65.3 secs Computing kpt #: 75 total cpu time spent up to now is 66.0 secs Computing kpt #: 76 total cpu time spent up to now is 66.8 secs Computing kpt #: 77 total cpu time spent up to now is 67.7 secs Computing kpt #: 78 total cpu time spent up to now is 68.4 secs Computing kpt #: 79 total cpu time spent up to now is 69.1 secs Computing kpt #: 80 total cpu time spent up to now is 69.9 secs Computing kpt #: 81 total cpu time spent up to now is 70.5 secs Computing kpt #: 82 total cpu time spent up to now is 71.1 secs Computing kpt #: 83 total cpu time spent up to now is 71.8 secs Computing kpt #: 84 total cpu time spent up to now is 72.4 secs Computing kpt #: 85 total cpu time spent up to now is 73.0 secs Computing kpt #: 86 total cpu time spent up to now is 73.7 secs Computing kpt #: 87 total cpu time spent up to now is 74.3 secs Computing kpt #: 88 total cpu time spent up to now is 74.9 secs Computing kpt #: 89 total cpu time spent up to now is 75.4 secs Computing kpt #: 90 total cpu time spent up to now is 76.0 secs Computing kpt #: 91 total cpu time spent up to now is 76.6 secs Computing kpt #: 92 total cpu time spent up to now is 77.1 secs Computing kpt #: 93 total cpu time spent up to now is 77.7 secs Computing kpt #: 94 total cpu time spent up to now is 78.3 secs Computing kpt #: 95 total cpu time spent up to now is 78.8 secs Computing kpt #: 96 total cpu time spent up to now is 79.3 secs Computing kpt #: 97 total cpu time spent up to now is 79.8 secs Computing kpt #: 98 total cpu time spent up to now is 80.4 secs Computing kpt #: 99 total cpu time spent up to now is 81.0 secs Computing kpt #: 100 total cpu time spent up to now is 81.6 secs Computing kpt #: 101 total cpu time spent up to now is 82.3 secs Computing kpt #: 102 total cpu time spent up to now is 83.0 secs Computing kpt #: 103 total cpu time spent up to now is 83.8 secs Computing kpt #: 104 total cpu time spent up to now is 84.6 secs Computing kpt #: 105 total cpu time spent up to now is 85.7 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.2 secs Computing kpt #: 107 total cpu time spent up to now is 88.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.5 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 97.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.2 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.1 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.5 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.4 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.8 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.9 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.5 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.9 secs Computing kpt #: 126 total cpu time spent up to now is 116.2 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.8 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.4 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.9 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.6 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.1 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.4 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.2 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.6 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.9 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.3 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.6 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.3 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.7 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.0 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.4 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.7 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.1 secs Computing kpt #: 149 total cpu time spent up to now is 148.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.8 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.7 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.8 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.3 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 158.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.4 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.9 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 163.5 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.0 secs Computing kpt #: 161 total cpu time spent up to now is 166.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.9 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.3 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.8 secs Computing kpt #: 165 total cpu time spent up to now is 172.1 secs Computing kpt #: 166 total cpu time spent up to now is 173.4 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.8 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.4 secs Computing kpt #: 169 total cpu time spent up to now is 177.5 secs Computing kpt #: 170 total cpu time spent up to now is 178.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.4 secs Computing kpt #: 172 total cpu time spent up to now is 181.8 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.2 secs Computing kpt #: 174 total cpu time spent up to now is 184.5 secs Computing kpt #: 175 total cpu time spent up to now is 185.7 secs Computing kpt #: 176 total cpu time spent up to now is 186.9 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.4 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.9 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.5 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.0 secs Computing kpt #: 181 total cpu time spent up to now is 193.9 secs Computing kpt #: 182 total cpu time spent up to now is 194.8 secs Computing kpt #: 183 total cpu time spent up to now is 195.6 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.0 secs Computing kpt #: 185 total cpu time spent up to now is 197.9 secs Computing kpt #: 186 total cpu time spent up to now is 198.7 secs Computing kpt #: 187 total cpu time spent up to now is 199.5 secs Computing kpt #: 188 total cpu time spent up to now is 200.4 secs Computing kpt #: 189 total cpu time spent up to now is 201.6 secs Computing kpt #: 190 total cpu time spent up to now is 202.5 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.9 secs Computing kpt #: 192 total cpu time spent up to now is 204.7 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.1 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.8 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.3 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.7 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.2 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.8 secs Computing kpt #: 200 total cpu time spent up to now is 215.9 secs Computing kpt #: 201 total cpu time spent up to now is 217.0 secs Computing kpt #: 202 total cpu time spent up to now is 218.0 secs Computing kpt #: 203 total cpu time spent up to now is 219.1 secs Computing kpt #: 204 total cpu time spent up to now is 220.1 secs Computing kpt #: 205 total cpu time spent up to now is 221.1 secs Computing kpt #: 206 total cpu time spent up to now is 222.2 secs Computing kpt #: 207 total cpu time spent up to now is 223.2 secs Computing kpt #: 208 total cpu time spent up to now is 224.2 secs Computing kpt #: 209 total cpu time spent up to now is 225.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.8 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.3 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.8 secs Computing kpt #: 213 total cpu time spent up to now is 231.0 secs Computing kpt #: 214 total cpu time spent up to now is 232.2 secs Computing kpt #: 215 total cpu time spent up to now is 233.1 secs Computing kpt #: 216 total cpu time spent up to now is 233.8 secs Computing kpt #: 217 total cpu time spent up to now is 234.5 secs Computing kpt #: 218 total cpu time spent up to now is 235.2 secs Computing kpt #: 219 total cpu time spent up to now is 235.9 secs Computing kpt #: 220 total cpu time spent up to now is 236.5 secs Computing kpt #: 221 total cpu time spent up to now is 237.1 secs Computing kpt #: 222 total cpu time spent up to now is 237.6 secs Computing kpt #: 223 total cpu time spent up to now is 238.2 secs Computing kpt #: 224 total cpu time spent up to now is 238.8 secs Computing kpt #: 225 total cpu time spent up to now is 239.4 secs Computing kpt #: 226 total cpu time spent up to now is 239.9 secs Computing kpt #: 227 total cpu time spent up to now is 240.5 secs Computing kpt #: 228 total cpu time spent up to now is 241.0 secs Computing kpt #: 229 total cpu time spent up to now is 241.6 secs Computing kpt #: 230 total cpu time spent up to now is 242.1 secs Computing kpt #: 231 total cpu time spent up to now is 242.7 secs Computing kpt #: 232 total cpu time spent up to now is 243.2 secs Computing kpt #: 233 total cpu time spent up to now is 243.7 secs Computing kpt #: 234 total cpu time spent up to now is 244.3 secs Computing kpt #: 235 total cpu time spent up to now is 244.8 secs Computing kpt #: 236 total cpu time spent up to now is 245.3 secs Computing kpt #: 237 total cpu time spent up to now is 245.8 secs Computing kpt #: 238 total cpu time spent up to now is 246.3 secs Computing kpt #: 239 total cpu time spent up to now is 247.0 secs Computing kpt #: 240 total cpu time spent up to now is 247.7 secs Computing kpt #: 241 total cpu time spent up to now is 248.5 secs Computing kpt #: 242 total cpu time spent up to now is 249.2 secs Computing kpt #: 243 total cpu time spent up to now is 249.9 secs Computing kpt #: 244 total cpu time spent up to now is 250.7 secs Computing kpt #: 245 total cpu time spent up to now is 251.5 secs Computing kpt #: 246 total cpu time spent up to now is 252.3 secs Computing kpt #: 247 total cpu time spent up to now is 253.5 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.0 secs Computing kpt #: 249 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 256.6 secs Computing kpt #: 250 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 258.2 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.5 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.1 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.6 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.2 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 267.7 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.2 secs Computing kpt #: 258 total cpu time spent up to now is 270.5 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.0 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.5 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.2 secs Computing kpt #: 262 total cpu time spent up to now is 276.4 secs Computing kpt #: 263 total cpu time spent up to now is 277.8 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 265 total cpu time spent up to now is 280.6 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.0 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.9 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.2 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.6 secs Computing kpt #: 271 total cpu time spent up to now is 288.9 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.2 secs Computing kpt #: 273 total cpu time spent up to now is 291.1 secs Computing kpt #: 274 total cpu time spent up to now is 291.9 secs Computing kpt #: 275 total cpu time spent up to now is 292.8 secs ethr = 2.50E-08, avg # of iterations = 76.5 total cpu time spent up to now is 292.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -39.5449 -39.5449 -39.4535 -39.4535 -39.4535 -39.4535 -18.5805 -18.5805 -18.5805 -18.5805 -18.3927 -18.3927 -18.0737 -18.0737 -18.0668 -18.0668 -18.0668 -18.0668 -17.9777 -17.9777 -17.7846 -17.7846 -17.7846 -17.7846 -0.7869 -0.7869 3.7199 3.7199 8.4559 8.4559 8.4559 8.4559 8.4847 8.4847 8.9471 8.9471 8.9471 8.9471 9.4531 9.4531 9.4547 9.4547 9.4547 9.4547 11.8737 11.8737 11.9102 11.9102 k = 0.0000 0.0139-0.0000 ( 3743 PWs) bands (ev): -39.5448 -39.5448 -39.4536 -39.4536 -39.4535 -39.4535 -18.5805 -18.5805 -18.5804 -18.5804 -18.3927 -18.3927 -18.0737 -18.0737 -18.0668 -18.0668 -18.0667 -18.0667 -17.9778 -17.9778 -17.7848 -17.7848 -17.7847 -17.7847 -0.7858 -0.7858 3.7209 3.7209 8.4483 8.4483 8.4549 8.4549 8.4812 8.4812 8.9487 8.9487 8.9525 8.9525 9.4526 9.4526 9.4539 9.4539 9.4551 9.4551 11.8674 11.8674 11.9039 11.9058 k = 0.0000 0.0278-0.0000 ( 3751 PWs) bands (ev): -39.5447 -39.5447 -39.4537 -39.4537 -39.4535 -39.4535 -18.5804 -18.5804 -18.5801 -18.5801 -18.3928 -18.3928 -18.0736 -18.0736 -18.0668 -18.0668 -18.0666 -18.0666 -17.9779 -17.9779 -17.7853 -17.7853 -17.7849 -17.7849 -0.7826 -0.7826 3.7240 3.7240 8.4226 8.4226 8.4520 8.4520 8.4748 8.4748 8.9532 8.9532 8.9669 8.9669 9.4505 9.4505 9.4515 9.4515 9.4570 9.4570 11.8446 11.8447 11.8839 11.8951 k = 0.0000 0.0417-0.0000 ( 3759 PWs) bands (ev): -39.5445 -39.5445 -39.4539 -39.4539 -39.4535 -39.4535 -18.5803 -18.5803 -18.5796 -18.5796 -18.3929 -18.3929 -18.0736 -18.0736 -18.0668 -18.0668 -18.0664 -18.0664 -17.9780 -17.9780 -17.7862 -17.7862 -17.7852 -17.7852 -0.7772 -0.7772 3.7291 3.7291 8.3799 8.3799 8.4472 8.4472 8.4684 8.4684 8.9608 8.9608 8.9868 8.9868 9.4468 9.4468 9.4476 9.4476 9.4603 9.4603 11.8006 11.8006 11.8646 11.8648 k = 0.0000 0.0556-0.0000 ( 3759 PWs) bands (ev): -39.5443 -39.5443 -39.4542 -39.4542 -39.4535 -39.4535 -18.5801 -18.5801 -18.5788 -18.5788 -18.3931 -18.3931 -18.0735 -18.0735 -18.0666 -18.0666 -18.0661 -18.0661 -17.9782 -17.9782 -17.7874 -17.7874 -17.7856 -17.7856 -0.7698 -0.7698 3.7362 3.7362 8.3247 8.3247 8.4407 8.4407 8.4611 8.4611 8.9714 8.9714 9.0083 9.0083 9.4416 9.4416 9.4421 9.4421 9.4650 9.4650 11.7408 11.7408 11.8490 11.8494 k = 0.0000 0.0694-0.0000 ( 3759 PWs) bands (ev): -39.5439 -39.5439 -39.4545 -39.4545 -39.4535 -39.4535 -18.5799 -18.5799 -18.5778 -18.5778 -18.3933 -18.3933 -18.0735 -18.0735 -18.0663 -18.0663 -18.0657 -18.0657 -17.9784 -17.9784 -17.7890 -17.7890 -17.7862 -17.7862 -0.7603 -0.7603 3.7452 3.7452 8.2605 8.2605 8.4324 8.4324 8.4525 8.4525 8.9849 8.9849 9.0284 9.0284 9.4350 9.4350 9.4351 9.4351 9.4710 9.4710 11.6720 11.6720 11.8356 11.8357 k = 0.0000 0.0833-0.0000 ( 3767 PWs) bands (ev): -39.5435 -39.5435 -39.4549 -39.4549 -39.4535 -39.4535 -18.5796 -18.5796 -18.5766 -18.5766 -18.3936 -18.3936 -18.0738 -18.0738 -18.0658 -18.0658 -18.0652 -18.0652 -17.9787 -17.9787 -17.7909 -17.7909 -17.7869 -17.7869 -0.7488 -0.7488 3.7562 3.7562 8.1898 8.1898 8.4225 8.4225 8.4424 8.4424 9.0014 9.0014 9.0448 9.0448 9.4266 9.4266 9.4269 9.4269 9.4784 9.4784 11.5986 11.5986 11.8247 11.8248 k = 0.0000 0.0972-0.0000 ( 3759 PWs) bands (ev): -39.5430 -39.5430 -39.4554 -39.4554 -39.4535 -39.4535 -18.5793 -18.5793 -18.5752 -18.5752 -18.3939 -18.3939 -18.0741 -18.0741 -18.0650 -18.0650 -18.0646 -18.0646 -17.9791 -17.9791 -17.7930 -17.7930 -17.7877 -17.7877 -0.7352 -0.7352 3.7690 3.7690 8.1144 8.1144 8.4112 8.4112 8.4310 8.4310 9.0208 9.0208 9.0556 9.0556 9.4168 9.4168 9.4176 9.4176 9.4870 9.4870 11.5243 11.5243 11.8167 11.8168 k = 0.0000 0.1111-0.0000 ( 3775 PWs) bands (ev): -39.5424 -39.5424 -39.4560 -39.4560 -39.4535 -39.4535 -18.5789 -18.5789 -18.5736 -18.5736 -18.3943 -18.3943 -18.0747 -18.0747 -18.0640 -18.0640 -18.0640 -18.0640 -17.9795 -17.9795 -17.7956 -17.7956 -17.7886 -17.7886 -0.7199 -0.7199 3.7836 3.7836 8.0354 8.0354 8.3984 8.3984 8.4182 8.4182 9.0431 9.0431 9.0595 9.0595 9.4056 9.4056 9.4069 9.4069 9.4969 9.4969 11.4517 11.4517 11.8119 11.8120 k = 0.0000 0.1250-0.0000 ( 3783 PWs) bands (ev): -39.5418 -39.5418 -39.4566 -39.4566 -39.4535 -39.4535 -18.5785 -18.5785 -18.5718 -18.5718 -18.3948 -18.3948 -18.0755 -18.0755 -18.0632 -18.0632 -18.0627 -18.0627 -17.9800 -17.9800 -17.7984 -17.7984 -17.7896 -17.7896 -0.7026 -0.7026 3.7999 3.7999 7.9539 7.9539 8.3845 8.3845 8.4044 8.4044 9.0555 9.0555 9.0681 9.0681 9.3932 9.3932 9.3950 9.3950 9.5079 9.5079 11.3829 11.3829 11.8103 11.8108 k = 0.0000 0.1389-0.0000 ( 3783 PWs) bands (ev): -39.5411 -39.5411 -39.4573 -39.4573 -39.4535 -39.4535 -18.5780 -18.5780 -18.5698 -18.5698 -18.3953 -18.3953 -18.0764 -18.0764 -18.0624 -18.0624 -18.0611 -18.0611 -17.9805 -17.9805 -17.8016 -17.8016 -17.7907 -17.7907 -0.6837 -0.6837 3.8178 3.8178 7.8707 7.8707 8.3696 8.3696 8.3895 8.3895 9.0428 9.0428 9.0959 9.0959 9.3798 9.3798 9.3822 9.3822 9.5202 9.5202 11.3198 11.3198 11.8121 11.8127 k = 0.0000 0.1528-0.0000 ( 3779 PWs) bands (ev): -39.5403 -39.5403 -39.4581 -39.4581 -39.4535 -39.4535 -18.5775 -18.5775 -18.5675 -18.5675 -18.3959 -18.3959 -18.0774 -18.0774 -18.0614 -18.0614 -18.0593 -18.0593 -17.9810 -17.9810 -17.8051 -17.8051 -17.7919 -17.7919 -0.6631 -0.6631 3.8371 3.8371 7.7865 7.7865 8.3539 8.3539 8.3737 8.3737 9.0209 9.0209 9.1264 9.1264 9.3654 9.3654 9.3684 9.3684 9.5337 9.5337 11.2635 11.2635 11.8168 11.8174 k = 0.0000 0.1667-0.0000 ( 3771 PWs) bands (ev): -39.5395 -39.5395 -39.4589 -39.4589 -39.4535 -39.4535 -18.5770 -18.5770 -18.5651 -18.5651 -18.3967 -18.3967 -18.0785 -18.0785 -18.0604 -18.0604 -18.0572 -18.0572 -17.9816 -17.9816 -17.8088 -17.8088 -17.7932 -17.7932 -0.6408 -0.6408 3.8579 3.8579 7.7022 7.7022 8.3374 8.3374 8.3573 8.3573 8.9895 8.9895 9.1594 9.1594 9.3501 9.3501 9.3537 9.3537 9.5482 9.5482 11.2151 11.2151 11.8246 11.8253 k = 0.0000 0.1806-0.0000 ( 3771 PWs) bands (ev): -39.5386 -39.5386 -39.4598 -39.4598 -39.4535 -39.4535 -18.5764 -18.5764 -18.5625 -18.5625 -18.3975 -18.3975 -18.0797 -18.0797 -18.0592 -18.0592 -18.0550 -18.0550 -17.9823 -17.9823 -17.8129 -17.8129 -17.7945 -17.7945 -0.6173 -0.6173 3.8798 3.8798 7.6182 7.6182 8.3204 8.3204 8.3404 8.3404 8.9486 8.9486 9.1948 9.1948 9.3341 9.3341 9.3383 9.3383 9.5638 9.5638 11.1751 11.1751 11.8352 11.8360 k = 0.0000 0.1944-0.0000 ( 3763 PWs) bands (ev): -39.5376 -39.5376 -39.4608 -39.4608 -39.4535 -39.4535 -18.5758 -18.5758 -18.5597 -18.5597 -18.3984 -18.3984 -18.0809 -18.0809 -18.0580 -18.0580 -18.0525 -18.0525 -17.9830 -17.9830 -17.8172 -17.8172 -17.7959 -17.7959 -0.5925 -0.5925 3.9027 3.9027 7.5352 7.5352 8.3030 8.3030 8.3230 8.3230 8.8986 8.8986 9.2326 9.2326 9.3177 9.3177 9.3224 9.3224 9.5804 9.5804 11.1436 11.1436 11.8484 11.8491 k = 0.0000 0.2083-0.0000 ( 3759 PWs) bands (ev): -39.5366 -39.5366 -39.4618 -39.4618 -39.4535 -39.4535 -18.5752 -18.5752 -18.5567 -18.5567 -18.3994 -18.3994 -18.0822 -18.0822 -18.0567 -18.0567 -18.0498 -18.0498 -17.9838 -17.9838 -17.8217 -17.8217 -17.7973 -17.7973 -0.5666 -0.5666 3.9265 3.9265 7.4538 7.4538 8.2853 8.2853 8.3055 8.3055 8.8401 8.8401 9.2725 9.2725 9.3007 9.3007 9.3060 9.3060 9.5978 9.5978 11.1206 11.1206 11.8640 11.8647 k = 0.0000 0.2222-0.0000 ( 3751 PWs) bands (ev): -39.5355 -39.5355 -39.4629 -39.4629 -39.4535 -39.4535 -18.5745 -18.5745 -18.5536 -18.5536 -18.4006 -18.4006 -18.0835 -18.0835 -18.0553 -18.0553 -18.0469 -18.0469 -17.9846 -17.9846 -17.8265 -17.8265 -17.7989 -17.7989 -0.5396 -0.5396 3.9509 3.9509 7.3746 7.3746 8.2676 8.2676 8.2878 8.2878 8.7738 8.7738 9.2836 9.2836 9.2894 9.2894 9.3146 9.3146 9.6161 9.6161 11.1055 11.1055 11.8814 11.8819 k = 0.0000 0.2361-0.0000 ( 3751 PWs) bands (ev): -39.5344 -39.5344 -39.4640 -39.4640 -39.4534 -39.4534 -18.5739 -18.5739 -18.5504 -18.5504 -18.4019 -18.4019 -18.0849 -18.0849 -18.0538 -18.0538 -18.0438 -18.0438 -17.9855 -17.9855 -17.8315 -17.8315 -17.8004 -17.8004 -0.5120 -0.5120 3.9756 3.9756 7.2982 7.2982 8.2500 8.2500 8.2702 8.2702 8.7007 8.7007 9.2662 9.2662 9.2726 9.2726 9.3584 9.3584 9.6351 9.6351 11.0977 11.0977 11.8762 11.8952 k = 0.0000 0.2500-0.0000 ( 3771 PWs) bands (ev): -39.5332 -39.5332 -39.4652 -39.4652 -39.4534 -39.4534 -18.5733 -18.5733 -18.5471 -18.5471 -18.4033 -18.4033 -18.0864 -18.0864 -18.0523 -18.0523 -18.0405 -18.0405 -17.9866 -17.9866 -17.8368 -17.8368 -17.8020 -17.8020 -0.4838 -0.4838 4.0006 4.0006 7.2251 7.2251 8.2324 8.2324 8.2527 8.2527 8.6217 8.6217 9.2488 9.2488 9.2557 9.2557 9.4039 9.4039 9.6547 9.6547 11.0966 11.0966 11.8394 11.8394 k = 0.0000 0.2639-0.0000 ( 3739 PWs) bands (ev): -39.5320 -39.5320 -39.4664 -39.4664 -39.4534 -39.4534 -18.5726 -18.5726 -18.5435 -18.5435 -18.4048 -18.4048 -18.0877 -18.0877 -18.0507 -18.0507 -18.0369 -18.0369 -17.9876 -17.9876 -17.8421 -17.8421 -17.8034 -17.8034 -0.4550 -0.4550 4.0255 4.0255 7.1561 7.1561 8.2152 8.2152 8.2356 8.2356 8.5382 8.5382 9.2318 9.2318 9.2392 9.2392 9.4509 9.4509 9.6750 9.6750 11.1013 11.1013 11.8080 11.8080 k = 0.0000 0.2778-0.0000 ( 3739 PWs) bands (ev): -39.5308 -39.5308 -39.4676 -39.4676 -39.4534 -39.4534 -18.5720 -18.5720 -18.5399 -18.5399 -18.4065 -18.4065 -18.0891 -18.0891 -18.0490 -18.0490 -18.0332 -18.0332 -17.9887 -17.9887 -17.8477 -17.8477 -17.8050 -17.8050 -0.4262 -0.4262 4.0501 4.0501 7.0914 7.0914 8.1984 8.1984 8.2188 8.2188 8.4510 8.4510 9.2149 9.2149 9.2228 9.2228 9.4991 9.4991 9.6955 9.6955 11.1109 11.1109 11.7762 11.7762 k = 0.0000 0.2917-0.0000 ( 3739 PWs) bands (ev): -39.5295 -39.5295 -39.4689 -39.4689 -39.4534 -39.4534 -18.5713 -18.5713 -18.5362 -18.5362 -18.4083 -18.4083 -18.0904 -18.0904 -18.0472 -18.0472 -18.0293 -18.0293 -17.9899 -17.9899 -17.8535 -17.8535 -17.8065 -17.8065 -0.3973 -0.3973 4.0741 4.0741 7.0319 7.0319 8.1822 8.1822 8.2026 8.2026 8.3612 8.3612 9.1985 9.1985 9.2067 9.2067 9.5481 9.5481 9.7164 9.7164 11.1247 11.1247 11.7444 11.7444 k = 0.0000 0.3056-0.0000 ( 3731 PWs) bands (ev): -39.5282 -39.5282 -39.4702 -39.4702 -39.4534 -39.4534 -18.5707 -18.5707 -18.5324 -18.5324 -18.4102 -18.4102 -18.0917 -18.0917 -18.0454 -18.0454 -18.0252 -18.0252 -17.9911 -17.9911 -17.8594 -17.8594 -17.8080 -17.8080 -0.3687 -0.3687 4.0973 4.0973 6.9778 6.9778 8.1665 8.1665 8.1870 8.1870 8.2696 8.2696 9.1826 9.1826 9.1913 9.1913 9.5978 9.5978 9.7373 9.7373 11.1419 11.1419 11.7127 11.7127 k = 0.0000 0.3194-0.0000 ( 3731 PWs) bands (ev): -39.5269 -39.5269 -39.4715 -39.4715 -39.4534 -39.4534 -18.5701 -18.5701 -18.5286 -18.5286 -18.4123 -18.4123 -18.0930 -18.0930 -18.0436 -18.0436 -18.0208 -18.0208 -17.9924 -17.9924 -17.8655 -17.8655 -17.8095 -17.8095 -0.3406 -0.3406 4.1193 4.1193 6.9298 6.9298 8.1515 8.1515 8.1712 8.1712 8.1779 8.1779 9.1673 9.1673 9.1763 9.1763 9.6478 9.6478 9.7585 9.7585 11.1617 11.1617 11.6814 11.6814 k = 0.0000 0.3333-0.0000 ( 3731 PWs) bands (ev): -39.5255 -39.5255 -39.4728 -39.4728 -39.4534 -39.4534 -18.5696 -18.5696 -18.5247 -18.5247 -18.4145 -18.4145 -18.0942 -18.0942 -18.0417 -18.0417 -18.0163 -18.0163 -17.9938 -17.9938 -17.8716 -17.8716 -17.8109 -17.8109 -0.3132 -0.3132 4.1401 4.1401 6.8881 6.8881 8.0844 8.0844 8.1374 8.1374 8.1581 8.1581 9.1528 9.1528 9.1621 9.1621 9.6976 9.6976 9.7792 9.7792 11.1835 11.1835 11.6507 11.6507 k = 0.0000 0.3472-0.0000 ( 3735 PWs) bands (ev): -39.5242 -39.5242 -39.4741 -39.4741 -39.4534 -39.4534 -18.5690 -18.5690 -18.5208 -18.5208 -18.4168 -18.4168 -18.0954 -18.0954 -18.0397 -18.0397 -18.0117 -18.0117 -17.9952 -17.9952 -17.8779 -17.8779 -17.8122 -17.8122 -0.2868 -0.2868 4.1593 4.1593 6.8532 6.8532 7.9925 7.9925 8.1241 8.1241 8.1448 8.1448 9.1391 9.1391 9.1488 9.1488 9.7468 9.7468 9.7994 9.7994 11.2064 11.2064 11.6210 11.6210 k = 0.0000 0.3611-0.0000 ( 3727 PWs) bands (ev): -39.5229 -39.5229 -39.4755 -39.4755 -39.4534 -39.4534 -18.5685 -18.5685 -18.5169 -18.5169 -18.4192 -18.4192 -18.0964 -18.0964 -18.0377 -18.0377 -18.0068 -18.0068 -17.9967 -17.9967 -17.8842 -17.8842 -17.8135 -17.8135 -0.2616 -0.2616 4.1767 4.1767 6.8252 6.8252 7.9021 7.9021 8.1117 8.1117 8.1324 8.1324 9.1264 9.1264 9.1363 9.1363 9.7950 9.7950 9.8192 9.8192 11.2301 11.2301 11.5925 11.5925 k = 0.0000 0.3750-0.0000 ( 3723 PWs) bands (ev): -39.5216 -39.5216 -39.4767 -39.4767 -39.4534 -39.4534 -18.5680 -18.5680 -18.5131 -18.5131 -18.4216 -18.4216 -18.0974 -18.0974 -18.0357 -18.0357 -18.0017 -18.0017 -17.9982 -17.9982 -17.8906 -17.8906 -17.8147 -17.8147 -0.2379 -0.2379 4.1924 4.1924 6.8044 6.8044 7.8139 7.8139 8.1004 8.1004 8.1212 8.1212 9.1146 9.1146 9.1248 9.1248 9.8376 9.8376 9.8420 9.8420 11.2538 11.2538 11.5655 11.5655 k = 0.0000 0.3889-0.0000 ( 3732 PWs) bands (ev): -39.5203 -39.5203 -39.4780 -39.4780 -39.4533 -39.4533 -18.5676 -18.5676 -18.5093 -18.5093 -18.4242 -18.4242 -18.0984 -18.0984 -18.0337 -18.0337 -17.9999 -17.9999 -17.9965 -17.9965 -17.8971 -17.8971 -17.8158 -17.8158 -0.2159 -0.2159 4.2062 4.2062 6.7905 6.7905 7.7286 7.7286 8.0901 8.0901 8.1109 8.1109 9.1038 9.1038 9.1142 9.1142 9.8557 9.8557 9.8859 9.8859 11.2769 11.2769 11.5402 11.5402 k = 0.0000 0.4028-0.0000 ( 3744 PWs) bands (ev): -39.5191 -39.5191 -39.4792 -39.4792 -39.4533 -39.4533 -18.5673 -18.5673 -18.5057 -18.5057 -18.4267 -18.4267 -18.0992 -18.0992 -18.0317 -18.0317 -18.0016 -18.0016 -17.9912 -17.9912 -17.9036 -17.9036 -17.8168 -17.8168 -0.1958 -0.1958 4.2180 4.2180 6.7834 6.7834 7.6470 7.6470 8.0809 8.0809 8.1017 8.1017 9.0942 9.0942 9.1048 9.1048 9.8720 9.8720 9.9272 9.9272 11.2989 11.2990 11.5171 11.5171 k = 0.0000 0.4167-0.0000 ( 3736 PWs) bands (ev): -39.5180 -39.5180 -39.4803 -39.4803 -39.4533 -39.4533 -18.5669 -18.5669 -18.5023 -18.5023 -18.4291 -18.4291 -18.0999 -18.0999 -18.0296 -18.0296 -18.0033 -18.0033 -17.9856 -17.9856 -17.9101 -17.9101 -17.8177 -17.8177 -0.1778 -0.1778 4.2280 4.2280 6.7827 6.7827 7.5703 7.5703 8.0729 8.0729 8.0937 8.0937 9.0859 9.0859 9.0966 9.0966 9.8869 9.8869 9.9651 9.9651 11.3194 11.3194 11.4962 11.4962 k = 0.0000 0.4306-0.0000 ( 3732 PWs) bands (ev): -39.5170 -39.5170 -39.4813 -39.4813 -39.4533 -39.4533 -18.5666 -18.5666 -18.4991 -18.4991 -18.4315 -18.4315 -18.1005 -18.1005 -18.0276 -18.0276 -18.0050 -18.0050 -17.9800 -17.9800 -17.9166 -17.9166 -17.8184 -17.8184 -0.1622 -0.1622 4.2362 4.2362 6.7874 6.7874 7.4995 7.4995 8.0661 8.0661 8.0869 8.0869 9.0788 9.0788 9.0897 9.0897 9.9000 9.9000 9.9988 9.9988 11.3376 11.3376 11.4781 11.4781 k = 0.0000 0.4444-0.0000 ( 3732 PWs) bands (ev): -39.5161 -39.5161 -39.4822 -39.4822 -39.4533 -39.4533 -18.5663 -18.5663 -18.4962 -18.4962 -18.4336 -18.4336 -18.1010 -18.1010 -18.0257 -18.0257 -18.0067 -18.0067 -17.9742 -17.9742 -17.9231 -17.9231 -17.8191 -17.8191 -0.1493 -0.1493 4.2427 4.2427 6.7964 6.7964 7.4361 7.4361 8.0604 8.0604 8.0813 8.0813 9.0729 9.0729 9.0839 9.0839 9.9111 9.9111 10.0275 10.0275 11.3532 11.3532 11.4628 11.4628 k = 0.0000 0.4583-0.0000 ( 3732 PWs) bands (ev): -39.5154 -39.5154 -39.4830 -39.4830 -39.4533 -39.4533 -18.5661 -18.5661 -18.4938 -18.4938 -18.4355 -18.4355 -18.1014 -18.1014 -18.0238 -18.0238 -18.0083 -18.0083 -17.9684 -17.9684 -17.9295 -17.9295 -17.8196 -17.8196 -0.1390 -0.1390 4.2476 4.2476 6.8079 6.8079 7.3822 7.3822 8.0560 8.0560 8.0769 8.0769 9.0683 9.0683 9.0794 9.0794 9.9198 9.9198 10.0506 10.0506 11.3658 11.3658 11.4506 11.4506 k = 0.0000 0.4722-0.0000 ( 3736 PWs) bands (ev): -39.5148 -39.5148 -39.4835 -39.4835 -39.4533 -39.4533 -18.5660 -18.5660 -18.4920 -18.4920 -18.4369 -18.4369 -18.1017 -18.1017 -18.0221 -18.0221 -18.0099 -18.0099 -17.9625 -17.9625 -17.9357 -17.9357 -17.8200 -17.8200 -0.1316 -0.1316 4.2509 4.2509 6.8195 6.8195 7.3402 7.3402 8.0528 8.0528 8.0737 8.0737 9.0650 9.0650 9.0762 9.0762 9.9262 9.9262 10.0676 10.0676 11.3751 11.3751 11.4417 11.4417 k = 0.0000 0.4861-0.0000 ( 3764 PWs) bands (ev): -39.5145 -39.5145 -39.4838 -39.4838 -39.4533 -39.4533 -18.5659 -18.5659 -18.4909 -18.4909 -18.4380 -18.4380 -18.1019 -18.1019 -18.0209 -18.0209 -18.0110 -18.0110 -17.9571 -17.9571 -17.9417 -17.9417 -17.8203 -17.8203 -0.1272 -0.1272 4.2529 4.2529 6.8282 6.8282 7.3131 7.3131 8.0508 8.0508 8.0717 8.0717 9.0630 9.0630 9.0742 9.0742 9.9301 9.9301 10.0779 10.0779 11.3806 11.3806 11.4364 11.4364 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -39.5144 -39.5144 -39.4840 -39.4840 -39.4533 -39.4533 -18.5659 -18.5659 -18.4905 -18.4905 -18.4384 -18.4384 -18.1020 -18.1020 -18.0204 -18.0204 -18.0115 -18.0115 -17.9538 -17.9538 -17.9450 -17.9450 -17.8204 -17.8204 -0.1257 -0.1257 4.2536 4.2536 6.8314 6.8314 7.3037 7.3037 8.0502 8.0502 8.0710 8.0710 9.0623 9.0623 9.0735 9.0735 9.9314 9.9314 10.0814 10.0814 11.3825 11.3825 11.4346 11.4346 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -39.5144 -39.5144 -39.4840 -39.4840 -39.4533 -39.4533 -18.5659 -18.5659 -18.4905 -18.4905 -18.4384 -18.4384 -18.1020 -18.1020 -18.0204 -18.0204 -18.0115 -18.0115 -17.9538 -17.9538 -17.9450 -17.9450 -17.8204 -17.8204 -0.1257 -0.1257 4.2536 4.2536 6.8314 6.8314 7.3037 7.3037 8.0502 8.0502 8.0710 8.0710 9.0623 9.0623 9.0735 9.0735 9.9314 9.9314 10.0814 10.0814 11.3825 11.3825 11.4346 11.4346 k = 0.0139 0.5000-0.0000 ( 3764 PWs) bands (ev): -39.5143 -39.5143 -39.4840 -39.4840 -39.4533 -39.4533 -18.5658 -18.5658 -18.4906 -18.4906 -18.4384 -18.4384 -18.1019 -18.1019 -18.0213 -18.0213 -18.0106 -18.0106 -17.9546 -17.9546 -17.9442 -17.9442 -17.8204 -17.8204 -0.1246 -0.1246 4.2546 4.2546 6.8314 6.8314 7.3013 7.3013 8.0484 8.0484 8.0692 8.0692 9.0613 9.0613 9.0727 9.0727 9.9333 9.9333 10.0834 10.0834 11.3825 11.3825 11.4323 11.4323 k = 0.0278 0.5000-0.0000 ( 3752 PWs) bands (ev): -39.5142 -39.5142 -39.4840 -39.4840 -39.4534 -39.4534 -18.5657 -18.5657 -18.4908 -18.4908 -18.4386 -18.4386 -18.1019 -18.1019 -18.0233 -18.0233 -18.0087 -18.0087 -17.9562 -17.9562 -17.9423 -17.9423 -17.8203 -17.8203 -0.1214 -0.1214 4.2578 4.2578 6.8314 6.8314 7.2943 7.2943 8.0430 8.0430 8.0641 8.0641 9.0578 9.0578 9.0707 9.0707 9.9393 9.9393 10.0895 10.0895 11.3827 11.3827 11.4258 11.4258 k = 0.0417 0.5000-0.0000 ( 3748 PWs) bands (ev): -39.5141 -39.5141 -39.4840 -39.4840 -39.4536 -39.4536 -18.5655 -18.5655 -18.4912 -18.4912 -18.4388 -18.4388 -18.1018 -18.1018 -18.0258 -18.0258 -18.0064 -18.0064 -17.9582 -17.9582 -17.9399 -17.9399 -17.8202 -17.8202 -0.1162 -0.1162 4.2630 4.2630 6.8311 6.8311 7.2826 7.2826 8.0337 8.0337 8.0561 8.0561 9.0506 9.0506 9.0687 9.0687 9.9490 9.9490 10.0995 10.0995 11.3830 11.3830 11.4152 11.4152 k = 0.0556 0.5000-0.0000 ( 3744 PWs) bands (ev): -39.5139 -39.5139 -39.4839 -39.4839 -39.4538 -39.4538 -18.5652 -18.5652 -18.4917 -18.4917 -18.4392 -18.4392 -18.1017 -18.1017 -18.0284 -18.0284 -18.0040 -18.0040 -17.9601 -17.9601 -17.9375 -17.9375 -17.8201 -17.8201 -0.1088 -0.1088 4.2703 4.2703 6.8305 6.8305 7.2665 7.2665 8.0204 8.0204 8.0459 8.0459 9.0395 9.0395 9.0672 9.0672 9.9624 9.9624 10.1134 10.1134 11.3832 11.3832 11.4012 11.4012 k = 0.0694 0.5000-0.0000 ( 3740 PWs) bands (ev): -39.5136 -39.5136 -39.4839 -39.4839 -39.4540 -39.4540 -18.5648 -18.5648 -18.4924 -18.4924 -18.4398 -18.4398 -18.1016 -18.1016 -18.0311 -18.0311 -18.0018 -18.0018 -17.9618 -17.9618 -17.9350 -17.9350 -17.8200 -17.8200 -0.0994 -0.0994 4.2798 4.2798 6.8291 6.8291 7.2460 7.2460 8.0034 8.0034 8.0341 8.0341 9.0251 9.0251 9.0657 9.0657 9.9792 9.9792 10.1309 10.1309 11.3810 11.3810 11.3865 11.3865 k = 0.0833 0.5000-0.0000 ( 3728 PWs) bands (ev): -39.5133 -39.5133 -39.4839 -39.4839 -39.4543 -39.4543 -18.5642 -18.5642 -18.4933 -18.4933 -18.4405 -18.4405 -18.1013 -18.1013 -18.0338 -18.0338 -17.9998 -17.9998 -17.9632 -17.9632 -17.9325 -17.9325 -17.8198 -17.8198 -0.0880 -0.0880 4.2912 4.2912 6.8267 6.8267 7.2214 7.2214 7.9833 7.9833 8.0207 8.0207 9.0075 9.0075 9.0642 9.0642 9.9993 9.9993 10.1519 10.1519 11.3633 11.3633 11.3846 11.3846 k = 0.0972 0.5000-0.0000 ( 3726 PWs) bands (ev): -39.5129 -39.5129 -39.4839 -39.4839 -39.4547 -39.4547 -18.5636 -18.5636 -18.4942 -18.4942 -18.4413 -18.4413 -18.1011 -18.1011 -18.0364 -18.0364 -17.9981 -17.9981 -17.9642 -17.9642 -17.9302 -17.9302 -17.8197 -17.8197 -0.0747 -0.0747 4.3048 4.3048 6.8227 6.8227 7.1928 7.1928 7.9611 7.9611 8.0058 8.0058 8.9872 8.9872 9.0626 9.0626 10.0225 10.0225 10.1760 10.1760 11.3417 11.3417 11.3845 11.3845 k = 0.1111 0.5000-0.0000 ( 3720 PWs) bands (ev): -39.5125 -39.5125 -39.4839 -39.4839 -39.4551 -39.4551 -18.5629 -18.5629 -18.4953 -18.4953 -18.4423 -18.4423 -18.1007 -18.1007 -18.0391 -18.0391 -17.9970 -17.9970 -17.9646 -17.9646 -17.9280 -17.9280 -17.8194 -17.8194 -0.0594 -0.0594 4.3203 4.3203 6.8164 6.8164 7.1605 7.1605 7.9380 7.9380 7.9895 7.9895 8.9643 8.9643 9.0609 9.0609 10.0486 10.0486 10.2032 10.2032 11.3186 11.3186 11.3843 11.3843 k = 0.1250 0.5000-0.0000 ( 3728 PWs) bands (ev): -39.5120 -39.5120 -39.4839 -39.4839 -39.4556 -39.4556 -18.5622 -18.5622 -18.4966 -18.4966 -18.4434 -18.4434 -18.1004 -18.1004 -18.0417 -18.0417 -17.9964 -17.9964 -17.9645 -17.9645 -17.9260 -17.9260 -17.8191 -17.8191 -0.0425 -0.0425 4.3379 4.3379 6.8072 6.8072 7.1248 7.1248 7.9150 7.9150 7.9719 7.9719 8.9392 8.9392 9.0588 9.0588 10.0772 10.0772 10.2331 10.2331 11.2944 11.2944 11.3837 11.3837 k = 0.1389 0.5000-0.0000 ( 3716 PWs) bands (ev): -39.5115 -39.5115 -39.4839 -39.4839 -39.4562 -39.4562 -18.5613 -18.5613 -18.4979 -18.4979 -18.4446 -18.4446 -18.0999 -18.0999 -18.0442 -18.0442 -17.9963 -17.9963 -17.9637 -17.9637 -17.9242 -17.9242 -17.8187 -17.8187 -0.0237 -0.0237 4.3575 4.3575 6.7945 6.7945 7.0859 7.0859 7.8934 7.8934 7.9533 7.9533 8.9120 8.9120 9.0567 9.0567 10.1082 10.1082 10.2656 10.2656 11.2696 11.2696 11.3828 11.3828 k = 0.1528 0.5000-0.0000 ( 3720 PWs) bands (ev): -39.5109 -39.5109 -39.4839 -39.4839 -39.4567 -39.4567 -18.5604 -18.5604 -18.4993 -18.4993 -18.4459 -18.4459 -18.0994 -18.0994 -18.0466 -18.0466 -17.9967 -17.9967 -17.9624 -17.9624 -17.9226 -17.9226 -17.8181 -17.8181 -0.0033 -0.0033 4.3790 4.3790 6.7776 6.7776 7.0441 7.0441 7.8742 7.8742 7.9340 7.9340 8.8831 8.8831 9.0544 9.0544 10.1412 10.1412 10.3003 10.3003 11.2445 11.2445 11.3812 11.3812 k = 0.1667 0.5000-0.0000 ( 3712 PWs) bands (ev): -39.5102 -39.5102 -39.4839 -39.4839 -39.4574 -39.4574 -18.5594 -18.5594 -18.5007 -18.5007 -18.4473 -18.4473 -18.0988 -18.0988 -18.0490 -18.0490 -17.9975 -17.9975 -17.9606 -17.9606 -17.9211 -17.9211 -17.8175 -17.8175 0.0186 0.0186 4.4025 4.4025 6.7559 6.7559 6.9996 6.9996 7.8586 7.8586 7.9139 7.9139 8.8527 8.8527 9.0519 9.0519 10.1760 10.1760 10.3371 10.3371 11.2194 11.2194 11.3792 11.3792 k = 0.1806 0.5000-0.0000 ( 3724 PWs) bands (ev): -39.5095 -39.5095 -39.4839 -39.4839 -39.4581 -39.4581 -18.5583 -18.5583 -18.5023 -18.5023 -18.4489 -18.4489 -18.0982 -18.0982 -18.0514 -18.0514 -17.9985 -17.9985 -17.9586 -17.9586 -17.9200 -17.9200 -17.8168 -17.8168 0.0419 0.0419 4.4279 4.4279 6.7290 6.7290 6.9526 6.9526 7.8472 7.8472 7.8934 7.8934 8.8210 8.8210 9.0492 9.0492 10.2124 10.2124 10.3758 10.3758 11.1945 11.1945 11.3763 11.3763 k = 0.1944 0.5000-0.0000 ( 3732 PWs) bands (ev): -39.5088 -39.5088 -39.4839 -39.4839 -39.4588 -39.4588 -18.5572 -18.5572 -18.5040 -18.5040 -18.4506 -18.4506 -18.0975 -18.0975 -18.0537 -18.0537 -17.9997 -17.9997 -17.9564 -17.9564 -17.9190 -17.9190 -17.8159 -17.8159 0.0665 0.0665 4.4552 4.4552 6.6968 6.6968 6.9034 6.9034 7.8409 7.8409 7.8727 7.8727 8.7885 8.7885 9.0464 9.0464 10.2500 10.2500 10.4162 10.4162 11.1701 11.1701 11.3726 11.3726 k = 0.2083 0.5000-0.0000 ( 3732 PWs) bands (ev): -39.5080 -39.5080 -39.4839 -39.4839 -39.4596 -39.4596 -18.5560 -18.5560 -18.5056 -18.5056 -18.4524 -18.4524 -18.0967 -18.0967 -18.0559 -18.0559 -18.0011 -18.0011 -17.9541 -17.9541 -17.9183 -17.9183 -17.8150 -17.8150 0.0922 0.0922 4.4842 4.4842 6.6593 6.6593 6.8523 6.8523 7.8395 7.8395 7.8524 7.8524 8.7555 8.7555 9.0435 9.0435 10.2887 10.2887 10.4581 10.4581 11.1463 11.1463 11.3682 11.3682 k = 0.2222 0.5000-0.0000 ( 3736 PWs) bands (ev): -39.5072 -39.5072 -39.4838 -39.4838 -39.4604 -39.4604 -18.5547 -18.5547 -18.5073 -18.5073 -18.4543 -18.4543 -18.0958 -18.0958 -18.0580 -18.0580 -18.0024 -18.0024 -17.9518 -17.9518 -17.9178 -17.9178 -17.8139 -17.8139 0.1190 0.1190 4.5151 4.5151 6.6168 6.6168 6.7995 6.7995 7.8300 7.8300 7.8456 7.8456 8.7220 8.7220 9.0405 9.0405 10.3281 10.3281 10.5015 10.5015 11.1232 11.1232 11.3629 11.3629 k = 0.2361 0.5000-0.0000 ( 3732 PWs) bands (ev): -39.5063 -39.5063 -39.4838 -39.4838 -39.4613 -39.4613 -18.5533 -18.5533 -18.5089 -18.5089 -18.4562 -18.4562 -18.0948 -18.0948 -18.0600 -18.0600 -18.0038 -18.0038 -17.9495 -17.9495 -17.9175 -17.9175 -17.8128 -17.8128 0.1465 0.1465 4.5477 4.5477 6.5699 6.5699 6.7451 6.7451 7.8098 7.8098 7.8550 7.8550 8.6885 8.6885 9.0374 9.0374 10.3681 10.3681 10.5460 10.5460 11.1010 11.1010 11.3567 11.3567 k = 0.2500 0.5000-0.0000 ( 3728 PWs) bands (ev): -39.5053 -39.5053 -39.4838 -39.4838 -39.4622 -39.4622 -18.5519 -18.5519 -18.5106 -18.5106 -18.4583 -18.4583 -18.0938 -18.0938 -18.0619 -18.0619 -18.0051 -18.0051 -17.9473 -17.9473 -17.9173 -17.9173 -17.8115 -17.8115 0.1746 0.1746 4.5820 4.5820 6.5193 6.5193 6.6894 6.6894 7.7897 7.7897 7.8697 7.8697 8.6552 8.6552 9.0342 9.0342 10.4084 10.4084 10.5916 10.5916 11.0797 11.0797 11.3498 11.3498 k = 0.2639 0.5000-0.0000 ( 3736 PWs) bands (ev): -39.5044 -39.5044 -39.4838 -39.4838 -39.4631 -39.4631 -18.5505 -18.5505 -18.5123 -18.5123 -18.4604 -18.4604 -18.0927 -18.0927 -18.0637 -18.0637 -18.0065 -18.0065 -17.9453 -17.9453 -17.9172 -17.9172 -17.8102 -17.8102 0.2032 0.2032 4.6179 4.6179 6.4658 6.4658 6.6326 6.6326 7.7699 7.7699 7.8887 7.8887 8.6224 8.6224 9.0310 9.0310 10.4486 10.4486 10.6379 10.6379 11.0594 11.0594 11.3421 11.3421 k = 0.2778 0.5000-0.0000 ( 3736 PWs) bands (ev): -39.5034 -39.5034 -39.4838 -39.4838 -39.4641 -39.4641 -18.5489 -18.5489 -18.5139 -18.5139 -18.4626 -18.4626 -18.0916 -18.0916 -18.0654 -18.0654 -18.0078 -18.0078 -17.9435 -17.9435 -17.9172 -17.9172 -17.8088 -17.8088 0.2320 0.2320 4.6553 4.6553 6.4102 6.4102 6.5748 6.5748 7.7506 7.7506 7.9117 7.9117 8.5901 8.5901 9.0277 9.0277 10.4887 10.4887 10.6851 10.6851 11.0403 11.0403 11.3338 11.3338 k = 0.2917 0.5000-0.0000 ( 3736 PWs) bands (ev): -39.5023 -39.5023 -39.4838 -39.4838 -39.4652 -39.4652 -18.5474 -18.5474 -18.5155 -18.5155 -18.4649 -18.4649 -18.0904 -18.0904 -18.0670 -18.0670 -18.0090 -18.0090 -17.9419 -17.9419 -17.9172 -17.9172 -17.8074 -17.8074 0.2608 0.2608 4.6942 4.6942 6.3534 6.3534 6.5164 6.5164 7.7321 7.7321 7.9380 7.9380 8.5588 8.5588 9.0245 9.0245 10.5284 10.5284 10.7327 10.7327 11.0222 11.0222 11.3250 11.3250 k = 0.3056 0.5000-0.0000 ( 3726 PWs) bands (ev): -39.5012 -39.5012 -39.4838 -39.4838 -39.4662 -39.4662 -18.5457 -18.5457 -18.5170 -18.5170 -18.4671 -18.4671 -18.0891 -18.0891 -18.0685 -18.0685 -18.0102 -18.0102 -17.9406 -17.9406 -17.9171 -17.9171 -17.8060 -17.8060 0.2895 0.2895 4.7344 4.7344 6.2963 6.2963 6.4574 6.4574 7.7144 7.7144 7.9671 7.9671 8.5286 8.5286 9.0213 9.0213 10.5673 10.5673 10.7807 10.7807 11.0053 11.0053 11.3158 11.3158 k = 0.3194 0.5000-0.0000 ( 3726 PWs) bands (ev): -39.5001 -39.5001 -39.4838 -39.4838 -39.4673 -39.4673 -18.5440 -18.5440 -18.5185 -18.5185 -18.4695 -18.4695 -18.0879 -18.0879 -18.0698 -18.0698 -18.0113 -18.0113 -17.9397 -17.9397 -17.9168 -17.9168 -17.8046 -17.8046 0.3177 0.3177 4.7759 4.7759 6.2395 6.2395 6.3981 6.3981 7.6976 7.6976 7.9981 7.9981 8.4997 8.4997 9.0182 9.0182 10.6053 10.6053 10.8287 10.8287 10.9896 10.9896 11.3064 11.3064 k = 0.3333 0.5000-0.0000 ( 3722 PWs) bands (ev): -39.4990 -39.4990 -39.4837 -39.4837 -39.4685 -39.4685 -18.5423 -18.5423 -18.5199 -18.5199 -18.4719 -18.4719 -18.0867 -18.0867 -18.0710 -18.0710 -18.0124 -18.0124 -17.9392 -17.9392 -17.9164 -17.9164 -17.8032 -17.8032 0.3452 0.3452 4.8185 4.8185 6.1838 6.1838 6.3387 6.3387 7.6817 7.6817 8.0304 8.0304 8.4723 8.4723 9.0152 9.0152 10.6421 10.6421 10.8764 10.8764 10.9750 10.9751 11.2971 11.2971 k = 0.3472 0.5000-0.0000 ( 3726 PWs) bands (ev): -39.4978 -39.4978 -39.4837 -39.4837 -39.4696 -39.4696 -18.5406 -18.5406 -18.5212 -18.5212 -18.4742 -18.4742 -18.0856 -18.0856 -18.0720 -18.0720 -18.0134 -18.0134 -17.9390 -17.9390 -17.9159 -17.9159 -17.8019 -17.8019 0.3717 0.3717 4.8620 4.8620 6.1300 6.1300 6.2794 6.2794 7.6669 7.6669 8.0635 8.0635 8.4465 8.4465 9.0122 9.0122 10.6773 10.6773 10.9235 10.9235 10.9619 10.9619 11.2880 11.2880 k = 0.3611 0.5000-0.0000 ( 3730 PWs) bands (ev): -39.4966 -39.4966 -39.4837 -39.4837 -39.4708 -39.4708 -18.5389 -18.5389 -18.5224 -18.5224 -18.4765 -18.4765 -18.0846 -18.0846 -18.0728 -18.0728 -18.0143 -18.0143 -17.9391 -17.9391 -17.9152 -17.9152 -17.8006 -17.8006 0.3971 0.3971 4.9063 4.9063 6.0786 6.0786 6.2205 6.2205 7.6531 7.6531 8.0967 8.0967 8.4224 8.4224 9.0094 9.0094 10.7109 10.7109 10.9486 10.9486 10.9711 10.9711 11.2794 11.2794 k = 0.3750 0.5000-0.0000 ( 3718 PWs) bands (ev): -39.4954 -39.4954 -39.4837 -39.4837 -39.4720 -39.4720 -18.5372 -18.5372 -18.5235 -18.5235 -18.4788 -18.4788 -18.0837 -18.0837 -18.0733 -18.0733 -18.0152 -18.0152 -17.9395 -17.9395 -17.9144 -17.9144 -17.7994 -17.7994 0.4210 0.4210 4.9511 4.9511 6.0302 6.0302 6.1624 6.1624 7.6405 7.6405 8.1294 8.1294 8.4004 8.4004 9.0068 9.0068 10.7425 10.7425 10.9382 10.9382 11.0158 11.0158 11.2715 11.2715 k = 0.3889 0.5000-0.0000 ( 3718 PWs) bands (ev): -39.4941 -39.4941 -39.4837 -39.4837 -39.4733 -39.4733 -18.5356 -18.5356 -18.5244 -18.5244 -18.4810 -18.4810 -18.0831 -18.0831 -18.0735 -18.0735 -18.0160 -18.0160 -17.9400 -17.9400 -17.9137 -17.9137 -17.7983 -17.7983 0.4432 0.4432 4.9960 4.9960 5.9854 5.9854 6.1054 6.1054 7.6292 7.6292 8.1609 8.1609 8.3803 8.3803 9.0044 9.0044 10.7717 10.7717 10.9284 10.9284 11.0592 11.0592 11.2647 11.2647 k = 0.4028 0.5000-0.0000 ( 3716 PWs) bands (ev): -39.4929 -39.4929 -39.4837 -39.4837 -39.4745 -39.4745 -18.5341 -18.5341 -18.5252 -18.5252 -18.4832 -18.4832 -18.0828 -18.0828 -18.0735 -18.0735 -18.0167 -18.0167 -17.9406 -17.9406 -17.9129 -17.9129 -17.7973 -17.7973 0.4636 0.4636 5.0406 5.0406 5.9447 5.9447 6.0500 6.0500 7.6190 7.6190 8.1907 8.1907 8.3624 8.3624 9.0022 9.0022 10.7983 10.7983 10.9198 10.9198 11.1003 11.1003 11.2590 11.2590 k = 0.4167 0.5000-0.0000 ( 3716 PWs) bands (ev): -39.4916 -39.4916 -39.4837 -39.4837 -39.4758 -39.4758 -18.5327 -18.5327 -18.5258 -18.5258 -18.4852 -18.4852 -18.0827 -18.0827 -18.0732 -18.0732 -18.0173 -18.0173 -17.9412 -17.9412 -17.9121 -17.9121 -17.7964 -17.7964 0.4817 0.4817 5.0843 5.0843 5.9085 5.9085 5.9969 5.9969 7.6101 7.6101 8.2180 8.2180 8.3467 8.3467 9.0003 9.0003 10.8220 10.8220 10.9124 10.9124 11.1385 11.1385 11.2549 11.2549 k = 0.4306 0.5000-0.0000 ( 3716 PWs) bands (ev): -39.4903 -39.4903 -39.4837 -39.4837 -39.4771 -39.4771 -18.5316 -18.5316 -18.5261 -18.5261 -18.4871 -18.4871 -18.0827 -18.0827 -18.0728 -18.0728 -18.0179 -18.0179 -17.9419 -17.9419 -17.9114 -17.9114 -17.7957 -17.7957 0.4974 0.4974 5.1262 5.1262 5.8772 5.8772 5.9470 5.9470 7.6025 7.6025 8.2424 8.2424 8.3332 8.3332 8.9985 8.9985 10.8426 10.8426 10.9062 10.9062 11.1728 11.1728 11.2526 11.2526 k = 0.4444 0.5000-0.0000 ( 3716 PWs) bands (ev): -39.4890 -39.4890 -39.4837 -39.4837 -39.4784 -39.4784 -18.5309 -18.5309 -18.5261 -18.5261 -18.4887 -18.4887 -18.0828 -18.0828 -18.0723 -18.0723 -18.0183 -18.0183 -17.9424 -17.9424 -17.9108 -17.9108 -17.7950 -17.7950 0.5105 0.5105 5.1651 5.1651 5.8510 5.8510 5.9016 5.9016 7.5964 7.5964 8.2631 8.2631 8.3222 8.3222 8.9972 8.9972 10.8597 10.8597 10.9012 10.9012 11.2023 11.2023 11.2525 11.2525 k = 0.4583 0.5000-0.0000 ( 3704 PWs) bands (ev): -39.4877 -39.4877 -39.4837 -39.4837 -39.4797 -39.4797 -18.5305 -18.5305 -18.5257 -18.5257 -18.4901 -18.4901 -18.0829 -18.0829 -18.0719 -18.0719 -18.0187 -18.0187 -17.9429 -17.9429 -17.9103 -17.9103 -17.7945 -17.7945 0.5210 0.5210 5.1993 5.1993 5.8303 5.8303 5.8624 5.8624 7.5915 7.5915 8.2799 8.2799 8.3135 8.3135 8.9961 8.9961 10.8731 10.8731 10.8975 10.8975 11.2259 11.2259 11.2549 11.2549 k = 0.4722 0.5000-0.0000 ( 3706 PWs) bands (ev): -39.4863 -39.4863 -39.4837 -39.4837 -39.4810 -39.4810 -18.5304 -18.5304 -18.5252 -18.5252 -18.4911 -18.4911 -18.0830 -18.0830 -18.0716 -18.0716 -18.0190 -18.0190 -17.9433 -17.9433 -17.9100 -17.9100 -17.7941 -17.7941 0.5285 0.5285 5.2267 5.2267 5.8150 5.8150 5.8318 5.8318 7.5880 7.5880 8.2922 8.2922 8.3073 8.3073 8.9953 8.9953 10.8824 10.8824 10.8954 10.8954 11.2419 11.2419 11.2602 11.2602 k = 0.4861 0.5000-0.0000 ( 3706 PWs) bands (ev): -39.4850 -39.4850 -39.4837 -39.4837 -39.4824 -39.4824 -18.5304 -18.5304 -18.5249 -18.5249 -18.4918 -18.4918 -18.0831 -18.0831 -18.0714 -18.0714 -18.0191 -18.0191 -17.9435 -17.9435 -17.9098 -17.9098 -17.7939 -17.7939 0.5331 0.5331 5.2446 5.2446 5.8047 5.8047 5.8129 5.8129 7.5859 7.5859 8.2996 8.2996 8.3037 8.3037 8.9948 8.9948 10.8868 10.8868 10.8952 10.8952 11.2505 11.2505 11.2668 11.2668 k = 0.5000 0.5000-0.0000 ( 3724 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5305 -18.5305 -18.5248 -18.5248 -18.4921 -18.4921 -18.0831 -18.0831 -18.0713 -18.0713 -18.0192 -18.0192 -17.9436 -17.9436 -17.9098 -17.9098 -17.7939 -17.7939 0.5346 0.5346 5.2508 5.2508 5.8002 5.8002 5.8074 5.8074 7.5852 7.5852 8.3013 8.3013 8.3031 8.3031 8.9946 8.9946 10.8877 10.8877 10.8957 10.8957 11.2532 11.2532 11.2697 11.2697 k = 0.5000 0.5000-0.0000 ( 3724 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5305 -18.5305 -18.5248 -18.5248 -18.4921 -18.4921 -18.0831 -18.0831 -18.0713 -18.0713 -18.0192 -18.0192 -17.9436 -17.9436 -17.9098 -17.9098 -17.7939 -17.7939 0.5346 0.5346 5.2508 5.2508 5.8002 5.8002 5.8074 5.8074 7.5852 7.5852 8.3013 8.3013 8.3031 8.3031 8.9946 8.9946 10.8877 10.8877 10.8957 10.8957 11.2532 11.2532 11.2697 11.2697 k = 0.4900 0.4900-0.0000 ( 3706 PWs) bands (ev): -39.4851 -39.4851 -39.4836 -39.4836 -39.4823 -39.4823 -18.5304 -18.5304 -18.5249 -18.5249 -18.4918 -18.4918 -18.0831 -18.0831 -18.0714 -18.0714 -18.0191 -18.0191 -17.9435 -17.9435 -17.9098 -17.9098 -17.7939 -17.7939 0.5330 0.5330 5.2443 5.2443 5.8041 5.8041 5.8139 5.8139 7.5860 7.5860 8.2999 8.2999 8.3033 8.3033 8.9949 8.9949 10.8866 10.8866 10.8954 10.8954 11.2498 11.2498 11.2673 11.2674 k = 0.4800 0.4800-0.0000 ( 3700 PWs) bands (ev): -39.4865 -39.4865 -39.4836 -39.4836 -39.4810 -39.4810 -18.5304 -18.5304 -18.5253 -18.5253 -18.4911 -18.4911 -18.0830 -18.0830 -18.0716 -18.0716 -18.0189 -18.0189 -17.9432 -17.9432 -17.9100 -17.9100 -17.7941 -17.7941 0.5283 0.5283 5.2260 5.2260 5.8105 5.8105 5.8376 5.8376 7.5881 7.5881 8.2936 8.2936 8.3057 8.3057 8.9954 8.9954 10.8811 10.8811 10.8964 10.8964 11.2364 11.2364 11.2658 11.2658 k = 0.4700 0.4700-0.0000 ( 3700 PWs) bands (ev): -39.4879 -39.4879 -39.4834 -39.4834 -39.4798 -39.4798 -18.5304 -18.5304 -18.5259 -18.5259 -18.4899 -18.4899 -18.0828 -18.0828 -18.0719 -18.0719 -18.0187 -18.0187 -17.9428 -17.9428 -17.9104 -17.9104 -17.7945 -17.7945 0.5204 0.5204 5.1983 5.1983 5.8197 5.8197 5.8754 5.8754 7.5918 7.5918 8.2832 8.2832 8.3099 8.3099 8.9962 8.9962 10.8700 10.8700 10.9003 10.9003 11.2135 11.2135 11.2671 11.2671 k = 0.4600 0.4600-0.0000 ( 3710 PWs) bands (ev): -39.4893 -39.4893 -39.4832 -39.4832 -39.4785 -39.4785 -18.5304 -18.5304 -18.5268 -18.5268 -18.4884 -18.4884 -18.0827 -18.0827 -18.0725 -18.0725 -18.0183 -18.0183 -17.9423 -17.9423 -17.9109 -17.9109 -17.7950 -17.7950 0.5094 0.5094 5.1641 5.1641 5.8322 5.8322 5.9238 5.9238 7.5968 7.5968 8.2691 8.2691 8.3158 8.3158 8.9974 8.9974 10.8541 10.8541 10.9062 10.9062 11.1834 11.1834 11.2702 11.2702 k = 0.4500 0.4500-0.0000 ( 3718 PWs) bands (ev): -39.4908 -39.4908 -39.4829 -39.4829 -39.4773 -39.4773 -18.5304 -18.5304 -18.5278 -18.5278 -18.4866 -18.4866 -18.0825 -18.0825 -18.0730 -18.0730 -18.0180 -18.0180 -17.9416 -17.9416 -17.9116 -17.9116 -17.7956 -17.7956 0.4955 0.4955 5.1258 5.1258 5.8482 5.8482 5.9805 5.9805 7.6032 7.6032 8.2519 8.2519 8.3234 8.3234 8.9989 8.9989 10.8340 10.8340 10.9139 10.9139 11.1473 11.1473 11.2744 11.2744 k = 0.4400 0.4400-0.0000 ( 3722 PWs) bands (ev): -39.4923 -39.4923 -39.4826 -39.4826 -39.4761 -39.4761 -18.5305 -18.5305 -18.5288 -18.5288 -18.4844 -18.4844 -18.0822 -18.0822 -18.0737 -18.0737 -18.0176 -18.0176 -17.9407 -17.9407 -17.9125 -17.9125 -17.7963 -17.7963 0.4787 0.4787 5.0850 5.0850 5.8677 5.8677 6.0435 6.0435 7.6111 7.6111 8.2321 8.2321 8.3326 8.3326 9.0008 9.0008 10.8099 10.8099 10.9234 10.9234 11.1060 11.1060 11.2797 11.2797 k = 0.4300 0.4300-0.0000 ( 3714 PWs) bands (ev): -39.4939 -39.4939 -39.4822 -39.4822 -39.4750 -39.4750 -18.5310 -18.5310 -18.5295 -18.5295 -18.4820 -18.4820 -18.0819 -18.0819 -18.0744 -18.0744 -18.0171 -18.0171 -17.9396 -17.9396 -17.9135 -17.9135 -17.7971 -17.7971 0.4592 0.4592 5.0427 5.0427 5.8907 5.8907 6.1116 6.1116 7.6205 7.6205 8.2103 8.2103 8.3436 8.3436 9.0031 9.0031 10.7823 10.7823 10.9345 10.9345 11.0606 11.0606 11.2860 11.2860 k = 0.4200 0.4200-0.0000 ( 3706 PWs) bands (ev): -39.4954 -39.4954 -39.4818 -39.4818 -39.4739 -39.4739 -18.5320 -18.5320 -18.5297 -18.5297 -18.4792 -18.4792 -18.0816 -18.0816 -18.0750 -18.0750 -18.0167 -18.0167 -17.9383 -17.9383 -17.9147 -17.9147 -17.7979 -17.7979 0.4370 0.4370 4.9998 4.9998 5.9171 5.9171 6.1838 6.1838 7.6311 7.6311 8.1873 8.1873 8.3562 8.3562 9.0058 9.0058 10.7515 10.7515 10.9472 10.9472 11.0115 11.0115 11.2932 11.2932 k = 0.4100 0.4100-0.0000 ( 3706 PWs) bands (ev): -39.4970 -39.4970 -39.4813 -39.4813 -39.4728 -39.4728 -18.5333 -18.5333 -18.5298 -18.5298 -18.4763 -18.4763 -18.0814 -18.0814 -18.0756 -18.0756 -18.0163 -18.0163 -17.9370 -17.9370 -17.9160 -17.9160 -17.7987 -17.7987 0.4122 0.4122 4.9566 4.9566 5.9467 5.9467 6.2594 6.2594 7.6431 7.6431 8.1636 8.1636 8.3703 8.3703 9.0089 9.0089 10.7180 10.7180 10.9580 10.9580 10.9629 10.9629 11.3012 11.3012 k = 0.4000 0.4000-0.0000 ( 3720 PWs) bands (ev): -39.4986 -39.4986 -39.4808 -39.4808 -39.4718 -39.4718 -18.5348 -18.5348 -18.5300 -18.5300 -18.4732 -18.4732 -18.0813 -18.0813 -18.0760 -18.0760 -18.0161 -18.0161 -17.9356 -17.9356 -17.9174 -17.9174 -17.7996 -17.7996 0.3850 0.3850 4.9134 4.9134 5.9797 5.9797 6.3380 6.3380 7.6565 7.6565 8.1398 8.1398 8.3860 8.3860 9.0124 9.0124 10.6819 10.6819 10.9049 10.9049 10.9773 10.9773 11.3099 11.3099 k = 0.3900 0.3900-0.0000 ( 3718 PWs) bands (ev): -39.5002 -39.5002 -39.4802 -39.4802 -39.4708 -39.4708 -18.5363 -18.5363 -18.5301 -18.5301 -18.4699 -18.4699 -18.0814 -18.0814 -18.0762 -18.0762 -18.0158 -18.0158 -17.9342 -17.9342 -17.9186 -17.9186 -17.8003 -17.8003 0.3557 0.3557 4.8703 4.8703 6.0159 6.0159 6.4192 6.4192 7.6712 7.6712 8.1168 8.1168 8.4033 8.4033 9.0163 9.0163 10.6438 10.6438 10.8488 10.8488 10.9945 10.9945 11.3193 11.3193 k = 0.3800 0.3800-0.0000 ( 3732 PWs) bands (ev): -39.5018 -39.5018 -39.4796 -39.4796 -39.4698 -39.4698 -18.5379 -18.5379 -18.5304 -18.5304 -18.4666 -18.4666 -18.0816 -18.0816 -18.0762 -18.0762 -18.0158 -18.0158 -17.9332 -17.9332 -17.9197 -17.9197 -17.8011 -17.8011 0.3243 0.3243 4.8274 4.8274 6.0553 6.0553 6.5025 6.5025 7.6870 7.6870 8.0950 8.0950 8.4221 8.4221 9.0207 9.0207 10.6037 10.6037 10.7911 10.7911 11.0129 11.0129 11.3294 11.3294 k = 0.3700 0.3700-0.0000 ( 3732 PWs) bands (ev): -39.5034 -39.5034 -39.4789 -39.4789 -39.4688 -39.4688 -18.5394 -18.5394 -18.5307 -18.5307 -18.4630 -18.4630 -18.0819 -18.0819 -18.0759 -18.0759 -18.0158 -18.0158 -17.9329 -17.9329 -17.9199 -17.9199 -17.8017 -17.8017 0.2912 0.2912 4.7847 4.7847 6.0977 6.0977 6.5876 6.5876 7.7041 7.7041 8.0751 8.0751 8.4425 8.4425 9.0256 9.0256 10.5623 10.5623 10.7324 10.7324 11.0325 11.0325 11.3399 11.3399 k = 0.3600 0.3600-0.0000 ( 3732 PWs) bands (ev): -39.5051 -39.5051 -39.4782 -39.4782 -39.4679 -39.4679 -18.5410 -18.5410 -18.5310 -18.5310 -18.4594 -18.4594 -18.0823 -18.0823 -18.0755 -18.0755 -18.0159 -18.0159 -17.9337 -17.9337 -17.9190 -17.9190 -17.8022 -17.8022 0.2564 0.2564 4.7423 4.7423 6.1432 6.1432 6.6743 6.6743 7.7225 7.7225 8.0575 8.0575 8.4643 8.4643 9.0310 9.0310 10.5197 10.5197 10.6730 10.6730 11.0534 11.0534 11.3509 11.3509 k = 0.3500 0.3500-0.0000 ( 3724 PWs) bands (ev): -39.5067 -39.5067 -39.4775 -39.4775 -39.4671 -39.4671 -18.5425 -18.5425 -18.5315 -18.5315 -18.4557 -18.4557 -18.0827 -18.0827 -18.0750 -18.0750 -18.0161 -18.0161 -17.9355 -17.9355 -17.9172 -17.9172 -17.8026 -17.8026 0.2202 0.2202 4.7002 4.7002 6.1915 6.1915 6.7621 6.7621 7.7421 7.7421 8.0428 8.0428 8.4875 8.4875 9.0370 9.0370 10.4761 10.4761 10.6130 10.6130 11.0753 11.0753 11.3622 11.3622 k = 0.3400 0.3400-0.0000 ( 3726 PWs) bands (ev): -39.5084 -39.5084 -39.4767 -39.4767 -39.4662 -39.4662 -18.5441 -18.5441 -18.5321 -18.5321 -18.4520 -18.4520 -18.0831 -18.0831 -18.0743 -18.0743 -18.0165 -18.0165 -17.9379 -17.9379 -17.9146 -17.9146 -17.8029 -17.8029 0.1826 0.1826 4.6583 4.6583 6.2427 6.2427 6.8506 6.8506 7.7626 7.7626 8.0314 8.0314 8.5121 8.5121 9.0435 9.0435 10.4319 10.4319 10.5527 10.5527 11.0981 11.0981 11.3738 11.3738 k = 0.3300 0.3300-0.0000 ( 3734 PWs) bands (ev): -39.5100 -39.5100 -39.4759 -39.4759 -39.4654 -39.4654 -18.5457 -18.5457 -18.5328 -18.5328 -18.4482 -18.4482 -18.0834 -18.0834 -18.0737 -18.0737 -18.0170 -18.0170 -17.9408 -17.9408 -17.9116 -17.9116 -17.8031 -17.8031 0.1439 0.1439 4.6166 4.6166 6.2966 6.2966 6.9394 6.9394 7.7842 7.7842 8.0238 8.0238 8.5379 8.5379 9.0505 9.0505 10.3871 10.3871 10.4924 10.4924 11.1219 11.1219 11.3855 11.3855 k = 0.3200 0.3200-0.0000 ( 3734 PWs) bands (ev): -39.5117 -39.5117 -39.4751 -39.4751 -39.4646 -39.4646 -18.5473 -18.5473 -18.5335 -18.5335 -18.4445 -18.4445 -18.0836 -18.0836 -18.0730 -18.0730 -18.0177 -18.0177 -17.9439 -17.9439 -17.9081 -17.9081 -17.8031 -17.8031 0.1044 0.1044 4.5752 4.5752 6.3531 6.3531 7.0282 7.0282 7.8069 7.8069 8.0206 8.0206 8.5650 8.5650 9.0580 9.0580 10.3421 10.3421 10.4321 10.4321 11.1464 11.1464 11.3972 11.3972 k = 0.3100 0.3100-0.0000 ( 3740 PWs) bands (ev): -39.5133 -39.5133 -39.4742 -39.4742 -39.4639 -39.4639 -18.5489 -18.5489 -18.5344 -18.5344 -18.4408 -18.4408 -18.0838 -18.0838 -18.0723 -18.0723 -18.0184 -18.0184 -17.9473 -17.9473 -17.9044 -17.9044 -17.8030 -17.8030 0.0641 0.0641 4.5339 4.5339 6.4121 6.4121 7.1161 7.1161 7.8304 7.8304 8.0221 8.0221 8.5931 8.5931 9.0662 9.0662 10.2970 10.2970 10.3721 10.3721 11.1717 11.1717 11.4088 11.4088 k = 0.3000 0.3000-0.0000 ( 3740 PWs) bands (ev): -39.5150 -39.5150 -39.4733 -39.4733 -39.4632 -39.4632 -18.5505 -18.5505 -18.5354 -18.5354 -18.4372 -18.4372 -18.0839 -18.0839 -18.0716 -18.0716 -18.0193 -18.0193 -17.9507 -17.9507 -17.9004 -17.9004 -17.8028 -17.8028 0.0232 0.0232 4.4929 4.4929 6.4734 6.4734 7.2026 7.2026 7.8548 7.8548 8.0292 8.0292 8.6223 8.6223 9.0749 9.0749 10.2520 10.2520 10.3125 10.3125 11.1975 11.1975 11.4202 11.4202 k = 0.2900 0.2900-0.0000 ( 3748 PWs) bands (ev): -39.5166 -39.5166 -39.4724 -39.4724 -39.4625 -39.4625 -18.5521 -18.5521 -18.5366 -18.5366 -18.4336 -18.4336 -18.0839 -18.0839 -18.0709 -18.0709 -18.0204 -18.0204 -17.9541 -17.9541 -17.8962 -17.8962 -17.8025 -17.8025 -0.0180 -0.0180 4.4522 4.4522 6.5370 6.5370 7.2868 7.2868 7.8800 7.8800 8.0422 8.0422 8.6524 8.6524 9.0843 9.0843 10.2073 10.2073 10.2534 10.2534 11.2238 11.2238 11.4314 11.4314 k = 0.2800 0.2800-0.0000 ( 3750 PWs) bands (ev): -39.5182 -39.5182 -39.4715 -39.4715 -39.4618 -39.4618 -18.5536 -18.5536 -18.5378 -18.5378 -18.4302 -18.4302 -18.0837 -18.0837 -18.0702 -18.0702 -18.0216 -18.0216 -17.9575 -17.9575 -17.8918 -17.8918 -17.8021 -17.8021 -0.0594 -0.0594 4.4118 4.4118 6.6026 6.6026 7.3680 7.3680 7.9059 7.9059 8.0620 8.0620 8.6833 8.6833 9.0943 9.0943 10.1629 10.1629 10.1951 10.1951 11.2506 11.2506 11.4422 11.4422 k = 0.2700 0.2700-0.0000 ( 3738 PWs) bands (ev): -39.5198 -39.5198 -39.4705 -39.4705 -39.4612 -39.4612 -18.5552 -18.5552 -18.5391 -18.5391 -18.4268 -18.4268 -18.0835 -18.0835 -18.0695 -18.0695 -18.0230 -18.0230 -17.9607 -17.9607 -17.8871 -17.8871 -17.8015 -17.8015 -0.1008 -0.1008 4.3717 4.3717 6.6703 6.6703 7.4450 7.4450 7.9325 7.9325 8.0893 8.0893 8.7148 8.7148 9.1049 9.1049 10.1191 10.1191 10.1375 10.1375 11.2777 11.2777 11.4526 11.4526 k = 0.2600 0.2600-0.0000 ( 3736 PWs) bands (ev): -39.5213 -39.5213 -39.4696 -39.4696 -39.4606 -39.4606 -18.5567 -18.5567 -18.5406 -18.5406 -18.4236 -18.4236 -18.0832 -18.0832 -18.0689 -18.0689 -18.0245 -18.0245 -17.9638 -17.9638 -17.8824 -17.8824 -17.8009 -17.8009 -0.1421 -0.1421 4.3320 4.3320 6.7398 6.7398 7.5171 7.5171 7.9595 7.9595 8.1246 8.1246 8.7468 8.7468 9.1161 9.1161 10.0756 10.0756 10.0812 10.0812 11.3049 11.3049 11.4625 11.4625 k = 0.2500 0.2500-0.0000 ( 3724 PWs) bands (ev): -39.5229 -39.5229 -39.4686 -39.4686 -39.4600 -39.4600 -18.5582 -18.5582 -18.5421 -18.5421 -18.4206 -18.4206 -18.0828 -18.0828 -18.0683 -18.0683 -18.0262 -18.0262 -17.9667 -17.9667 -17.8775 -17.8775 -17.8002 -17.8002 -0.1830 -0.1830 4.2928 4.2928 6.8110 6.8110 7.5835 7.5835 7.9871 7.9871 8.1682 8.1682 8.7791 8.7791 9.1279 9.1279 10.0244 10.0244 10.0344 10.0344 11.3323 11.3323 11.4720 11.4720 k = 0.2400 0.2400-0.0000 ( 3736 PWs) bands (ev): -39.5244 -39.5244 -39.4677 -39.4677 -39.4595 -39.4595 -18.5597 -18.5597 -18.5438 -18.5438 -18.4177 -18.4177 -18.0823 -18.0823 -18.0678 -18.0678 -18.0281 -18.0281 -17.9693 -17.9693 -17.8725 -17.8725 -17.7995 -17.7995 -0.2237 -0.2237 4.2542 4.2542 6.8836 6.8836 7.6440 7.6440 8.0148 8.0148 8.2198 8.2198 8.8113 8.8113 9.1404 9.1404 9.9698 9.9698 9.9927 9.9927 11.3597 11.3597 11.4810 11.4810 k = 0.2300 0.2300-0.0000 ( 3734 PWs) bands (ev): -39.5259 -39.5259 -39.4668 -39.4668 -39.4590 -39.4590 -18.5612 -18.5612 -18.5455 -18.5455 -18.4150 -18.4150 -18.0818 -18.0818 -18.0673 -18.0673 -18.0301 -18.0301 -17.9717 -17.9717 -17.8674 -17.8674 -17.7987 -17.7987 -0.2637 -0.2637 4.2162 4.2162 6.9577 6.9577 7.6989 7.6989 8.0428 8.0428 8.2786 8.2786 8.8434 8.8434 9.1534 9.1534 9.9163 9.9163 9.9523 9.9523 11.3870 11.3870 11.4896 11.4896 k = 0.2200 0.2200-0.0000 ( 3738 PWs) bands (ev): -39.5273 -39.5273 -39.4658 -39.4658 -39.4585 -39.4585 -18.5626 -18.5626 -18.5474 -18.5474 -18.4125 -18.4125 -18.0813 -18.0813 -18.0669 -18.0669 -18.0323 -18.0323 -17.9737 -17.9737 -17.8623 -17.8623 -17.7978 -17.7978 -0.3030 -0.3030 4.1790 4.1790 7.0330 7.0330 7.7490 7.7490 8.0709 8.0709 8.3435 8.3435 8.8751 8.8751 9.1671 9.1671 9.8640 9.8640 9.9130 9.9130 11.4141 11.4141 11.4979 11.4979 k = 0.2100 0.2100-0.0000 ( 3736 PWs) bands (ev): -39.5288 -39.5288 -39.4649 -39.4649 -39.4580 -39.4580 -18.5641 -18.5641 -18.5493 -18.5493 -18.4102 -18.4102 -18.0807 -18.0807 -18.0666 -18.0666 -18.0346 -18.0346 -17.9754 -17.9754 -17.8571 -17.8571 -17.7969 -17.7969 -0.3414 -0.3414 4.1426 4.1426 7.1093 7.1093 7.7952 7.7952 8.0990 8.0990 8.4126 8.4126 8.9060 8.9060 9.1813 9.1813 9.8132 9.8132 9.8749 9.8749 11.4409 11.4409 11.5061 11.5061 k = 0.2000 0.2000-0.0000 ( 3738 PWs) bands (ev): -39.5301 -39.5301 -39.4640 -39.4640 -39.4576 -39.4576 -18.5655 -18.5655 -18.5512 -18.5512 -18.4080 -18.4080 -18.0801 -18.0801 -18.0663 -18.0663 -18.0370 -18.0370 -17.9769 -17.9769 -17.8519 -17.8519 -17.7961 -17.7961 -0.3790 -0.3790 4.1071 4.1071 7.1865 7.1865 7.8386 7.8386 8.1270 8.1270 8.4845 8.4845 8.9358 8.9358 9.1961 9.1961 9.7638 9.7638 9.8381 9.8381 11.4672 11.4672 11.5142 11.5142 k = 0.1900 0.1900-0.0000 ( 3741 PWs) bands (ev): -39.5315 -39.5315 -39.4631 -39.4631 -39.4572 -39.4572 -18.5668 -18.5668 -18.5533 -18.5533 -18.4061 -18.4061 -18.0794 -18.0794 -18.0661 -18.0661 -18.0395 -18.0395 -17.9780 -17.9780 -17.8467 -17.8467 -17.7952 -17.7952 -0.4154 -0.4154 4.0727 4.0727 7.2644 7.2644 7.8800 7.8800 8.1547 8.1547 8.5574 8.5574 8.9642 8.9642 9.2113 9.2113 9.7161 9.7161 9.8026 9.8026 11.4920 11.4920 11.5220 11.5235 k = 0.1800 0.1800-0.0000 ( 3745 PWs) bands (ev): -39.5327 -39.5327 -39.4622 -39.4622 -39.4568 -39.4568 -18.5681 -18.5681 -18.5553 -18.5553 -18.4043 -18.4043 -18.0787 -18.0787 -18.0659 -18.0659 -18.0421 -18.0421 -17.9789 -17.9789 -17.8415 -17.8415 -17.7943 -17.7943 -0.4506 -0.4506 4.0393 4.0393 7.3428 7.3428 7.9200 7.9200 8.1820 8.1820 8.6298 8.6298 8.9908 8.9908 9.2271 9.2271 9.6703 9.6703 9.7685 9.7685 11.5028 11.5029 11.5259 11.5260 k = 0.1700 0.1700-0.0000 ( 3743 PWs) bands (ev): -39.5340 -39.5340 -39.4614 -39.4614 -39.4564 -39.4564 -18.5693 -18.5693 -18.5574 -18.5574 -18.4027 -18.4027 -18.0780 -18.0780 -18.0658 -18.0658 -18.0446 -18.0446 -17.9795 -17.9795 -17.8364 -17.8364 -17.7934 -17.7934 -0.4845 -0.4845 4.0072 4.0072 7.4215 7.4215 7.9593 7.9593 8.2088 8.2088 8.7002 8.7002 9.0152 9.0152 9.2433 9.2433 9.6266 9.6266 9.7360 9.7360 11.4859 11.4859 11.5411 11.5433 k = 0.1600 0.1600-0.0000 ( 3751 PWs) bands (ev): -39.5351 -39.5351 -39.4606 -39.4606 -39.4561 -39.4561 -18.5705 -18.5705 -18.5595 -18.5595 -18.4013 -18.4013 -18.0774 -18.0774 -18.0658 -18.0658 -18.0471 -18.0471 -17.9800 -17.9800 -17.8314 -17.8314 -17.7925 -17.7925 -0.5171 -0.5171 3.9764 3.9764 7.5003 7.5003 7.9981 7.9981 8.2348 8.2348 8.7674 8.7674 9.0369 9.0369 9.2598 9.2598 9.5854 9.5854 9.7049 9.7049 11.4703 11.4703 11.5519 11.5580 k = 0.1500 0.1500-0.0000 ( 3751 PWs) bands (ev): -39.5363 -39.5363 -39.4598 -39.4598 -39.4558 -39.4558 -18.5717 -18.5717 -18.5616 -18.5616 -18.3999 -18.3999 -18.0767 -18.0767 -18.0658 -18.0658 -18.0496 -18.0496 -17.9802 -17.9802 -17.8265 -17.8265 -17.7917 -17.7917 -0.5481 -0.5481 3.9470 3.9470 7.5790 7.5790 8.0366 8.0366 8.2601 8.2601 8.8299 8.8299 9.0556 9.0556 9.2765 9.2765 9.5470 9.5470 9.6755 9.6755 11.4605 11.4605 11.5645 11.5649 k = 0.1400 0.1400-0.0000 ( 3759 PWs) bands (ev): -39.5373 -39.5373 -39.4590 -39.4590 -39.4555 -39.4555 -18.5728 -18.5728 -18.5636 -18.5636 -18.3988 -18.3988 -18.0761 -18.0761 -18.0658 -18.0658 -18.0519 -18.0519 -17.9804 -17.9804 -17.8217 -17.8217 -17.7908 -17.7908 -0.5776 -0.5776 3.9190 3.9190 7.6574 7.6574 8.0748 8.0748 8.2844 8.2844 8.8863 8.8863 9.0709 9.0709 9.2934 9.2934 9.5121 9.5121 9.6476 9.6476 11.4574 11.4574 11.5789 11.5790 k = 0.1300 0.1300-0.0000 ( 3765 PWs) bands (ev): -39.5383 -39.5383 -39.4583 -39.4583 -39.4552 -39.4552 -18.5738 -18.5738 -18.5657 -18.5657 -18.3978 -18.3978 -18.0755 -18.0755 -18.0659 -18.0659 -18.0542 -18.0542 -17.9804 -17.9804 -17.8171 -17.8171 -17.7900 -17.7900 -0.6054 -0.6054 3.8927 3.8927 7.7352 7.7352 8.1129 8.1129 8.3077 8.3077 8.9355 8.9355 9.0824 9.0824 9.3104 9.3104 9.4815 9.4815 9.6215 9.6215 11.4612 11.4612 11.5954 11.5955 k = 0.1200 0.1200-0.0000 ( 3769 PWs) bands (ev): -39.5393 -39.5393 -39.4576 -39.4576 -39.4550 -39.4550 -18.5748 -18.5748 -18.5676 -18.5676 -18.3969 -18.3969 -18.0750 -18.0750 -18.0660 -18.0660 -18.0563 -18.0563 -17.9803 -17.9803 -17.8127 -17.8127 -17.7893 -17.7893 -0.6314 -0.6314 3.8680 3.8680 7.8122 7.8122 8.1506 8.1506 8.3297 8.3297 8.9759 8.9759 9.0899 9.0899 9.3273 9.3273 9.4560 9.4560 9.5972 9.5972 11.4721 11.4721 11.6144 11.6155 k = 0.1100 0.1100-0.0000 ( 3769 PWs) bands (ev): -39.5401 -39.5401 -39.4570 -39.4570 -39.4547 -39.4547 -18.5757 -18.5757 -18.5695 -18.5695 -18.3961 -18.3961 -18.0745 -18.0745 -18.0661 -18.0661 -18.0582 -18.0582 -17.9801 -17.9801 -17.8085 -17.8085 -17.7886 -17.7886 -0.6555 -0.6555 3.8450 3.8450 7.8882 7.8882 8.1880 8.1880 8.3505 8.3505 9.0062 9.0062 9.0931 9.0931 9.3439 9.3439 9.4369 9.4369 9.5747 9.5747 11.4902 11.4902 11.6357 11.6357 k = 0.1000 0.1000-0.0000 ( 3771 PWs) bands (ev): -39.5409 -39.5409 -39.4564 -39.4564 -39.4545 -39.4545 -18.5765 -18.5765 -18.5712 -18.5712 -18.3954 -18.3954 -18.0741 -18.0741 -18.0662 -18.0662 -18.0600 -18.0600 -17.9798 -17.9798 -17.8046 -17.8046 -17.7879 -17.7879 -0.6778 -0.6778 3.8238 3.8238 7.9627 7.9627 8.2247 8.2247 8.3698 8.3698 9.0256 9.0256 9.0918 9.0918 9.3601 9.3601 9.4244 9.4244 9.5540 9.5540 11.5152 11.5152 11.6597 11.6615 k = 0.0900 0.0900-0.0000 ( 3779 PWs) bands (ev): -39.5417 -39.5417 -39.4559 -39.4559 -39.4543 -39.4543 -18.5773 -18.5773 -18.5729 -18.5729 -18.3949 -18.3949 -18.0738 -18.0738 -18.0663 -18.0663 -18.0615 -18.0615 -17.9796 -17.9796 -17.8010 -17.8010 -17.7874 -17.7874 -0.6982 -0.6982 3.8044 3.8044 8.0353 8.0353 8.2606 8.2606 8.3876 8.3876 9.0343 9.0343 9.0861 9.0861 9.3757 9.3757 9.4187 9.4187 9.5352 9.5352 11.5467 11.5467 11.6861 11.6862 k = 0.0800 0.0800-0.0000 ( 3779 PWs) bands (ev): -39.5423 -39.5423 -39.4554 -39.4554 -39.4542 -39.4542 -18.5780 -18.5780 -18.5745 -18.5745 -18.3944 -18.3944 -18.0736 -18.0736 -18.0665 -18.0665 -18.0629 -18.0629 -17.9793 -17.9793 -17.7977 -17.7977 -17.7868 -17.7868 -0.7166 -0.7166 3.7869 3.7869 8.1057 8.1057 8.2954 8.2954 8.4038 8.4038 9.0336 9.0336 9.0761 9.0761 9.3904 9.3904 9.4188 9.4188 9.5183 9.5183 11.5839 11.5839 11.7146 11.7151 k = 0.0700 0.0700-0.0000 ( 3775 PWs) bands (ev): -39.5429 -39.5429 -39.4550 -39.4550 -39.4540 -39.4540 -18.5786 -18.5786 -18.5758 -18.5758 -18.3940 -18.3940 -18.0734 -18.0734 -18.0665 -18.0665 -18.0640 -18.0640 -17.9790 -17.9790 -17.7947 -17.7947 -17.7863 -17.7863 -0.7329 -0.7329 3.7714 3.7714 8.1732 8.1732 8.3286 8.3286 8.4185 8.4185 9.0257 9.0257 9.0622 9.0622 9.4041 9.4041 9.4228 9.4228 9.5034 9.5034 11.6260 11.6260 11.7446 11.7447 k = 0.0600 0.0600-0.0000 ( 3767 PWs) bands (ev): -39.5434 -39.5434 -39.4546 -39.4546 -39.4539 -39.4539 -18.5791 -18.5791 -18.5770 -18.5770 -18.3936 -18.3936 -18.0733 -18.0733 -18.0666 -18.0666 -18.0649 -18.0649 -17.9787 -17.9787 -17.7921 -17.7921 -17.7859 -17.7859 -0.7471 -0.7471 3.7578 3.7578 8.2371 8.2371 8.3597 8.3597 8.4315 8.4315 9.0131 9.0131 9.0447 9.0447 9.4166 9.4166 9.4288 9.4288 9.4904 9.4904 11.6716 11.6716 11.7753 11.7754 k = 0.0500 0.0500-0.0000 ( 3759 PWs) bands (ev): -39.5439 -39.5439 -39.4543 -39.4543 -39.4538 -39.4538 -18.5795 -18.5795 -18.5781 -18.5781 -18.3933 -18.3933 -18.0733 -18.0733 -18.0667 -18.0667 -18.0655 -18.0655 -17.9784 -17.9784 -17.7899 -17.7899 -17.7855 -17.7855 -0.7592 -0.7592 3.7463 3.7463 8.2965 8.2965 8.3881 8.3881 8.4429 8.4429 8.9981 8.9981 9.0248 9.0248 9.4276 9.4276 9.4355 9.4355 9.4794 9.4794 11.7193 11.7193 11.8052 11.8053 k = 0.0400 0.0400-0.0000 ( 3759 PWs) bands (ev): -39.5442 -39.5442 -39.4540 -39.4540 -39.4537 -39.4537 -18.5799 -18.5799 -18.5789 -18.5789 -18.3931 -18.3931 -18.0734 -18.0734 -18.0667 -18.0667 -18.0661 -18.0661 -17.9782 -17.9782 -17.7880 -17.7880 -17.7852 -17.7852 -0.7691 -0.7691 3.7368 3.7368 8.3497 8.3497 8.4129 8.4129 8.4530 8.4530 8.9827 8.9827 9.0034 9.0034 9.4369 9.4369 9.4418 9.4418 9.4703 9.4703 11.7667 11.7667 11.8333 11.8335 k = 0.0300 0.0300-0.0000 ( 3755 PWs) bands (ev): -39.5445 -39.5445 -39.4538 -39.4538 -39.4536 -39.4536 -18.5802 -18.5802 -18.5796 -18.5796 -18.3929 -18.3929 -18.0735 -18.0735 -18.0668 -18.0668 -18.0664 -18.0664 -17.9780 -17.9780 -17.7865 -17.7865 -17.7849 -17.7849 -0.7769 -0.7769 3.7294 3.7294 8.3948 8.3948 8.4328 8.4328 8.4623 8.4623 8.9685 8.9685 8.9825 8.9825 9.4443 9.4443 9.4471 9.4471 9.4633 9.4633 11.8109 11.8109 11.8593 11.8598 k = 0.0200 0.0200-0.0000 ( 3747 PWs) bands (ev): -39.5447 -39.5447 -39.4537 -39.4537 -39.4536 -39.4536 -18.5804 -18.5804 -18.5801 -18.5801 -18.3928 -18.3928 -18.0736 -18.0736 -18.0668 -18.0668 -18.0666 -18.0666 -17.9778 -17.9778 -17.7855 -17.7855 -17.7847 -17.7847 -0.7824 -0.7824 3.7241 3.7241 8.4290 8.4290 8.4465 8.4465 8.4718 8.4718 8.9571 8.9571 8.9643 8.9643 9.4495 9.4495 9.4511 9.4511 9.4583 9.4583 11.8463 11.8463 11.8823 11.8829 k = 0.0100 0.0100-0.0000 ( 3743 PWs) bands (ev): -39.5448 -39.5448 -39.4536 -39.4536 -39.4536 -39.4536 -18.5805 -18.5805 -18.5804 -18.5804 -18.3928 -18.3928 -18.0737 -18.0737 -18.0668 -18.0668 -18.0667 -18.0667 -17.9778 -17.9778 -17.7848 -17.7848 -17.7846 -17.7846 -0.7858 -0.7858 3.7209 3.7209 8.4494 8.4494 8.4537 8.4537 8.4807 8.4807 8.9497 8.9497 8.9517 8.9517 9.4524 9.4524 9.4538 9.4538 9.4554 9.4554 11.8672 11.8672 11.9022 11.9027 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -39.5449 -39.5449 -39.4535 -39.4535 -39.4535 -39.4535 -18.5805 -18.5805 -18.5805 -18.5805 -18.3927 -18.3927 -18.0737 -18.0737 -18.0668 -18.0668 -18.0668 -18.0668 -17.9777 -17.9777 -17.7846 -17.7846 -17.7846 -17.7846 -0.7869 -0.7869 3.7199 3.7199 8.4559 8.4559 8.4559 8.4559 8.4847 8.4847 8.9471 8.9471 8.9471 8.9471 9.4531 9.4531 9.4547 9.4547 9.4547 9.4547 11.8737 11.8737 11.9102 11.9102 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -39.5449 -39.5449 -39.4535 -39.4535 -39.4535 -39.4535 -18.5805 -18.5805 -18.5805 -18.5805 -18.3927 -18.3927 -18.0737 -18.0737 -18.0668 -18.0668 -18.0668 -18.0668 -17.9777 -17.9777 -17.7846 -17.7846 -17.7846 -17.7846 -0.7869 -0.7869 3.7199 3.7199 8.4559 8.4559 8.4559 8.4559 8.4847 8.4847 8.9471 8.9471 8.9471 8.9471 9.4531 9.4531 9.4547 9.4547 9.4547 9.4547 11.8737 11.8737 11.9102 11.9102 k = 0.0082 0.0082 0.0082 ( 3743 PWs) bands (ev): -39.5448 -39.5448 -39.4536 -39.4536 -39.4536 -39.4536 -18.5805 -18.5805 -18.5804 -18.5804 -18.3928 -18.3928 -18.0737 -18.0737 -18.0668 -18.0668 -18.0667 -18.0667 -17.9778 -17.9778 -17.7848 -17.7848 -17.7846 -17.7846 -0.7857 -0.7857 3.7209 3.7209 8.4501 8.4501 8.4531 8.4531 8.4806 8.4806 8.9507 8.9507 8.9508 8.9508 9.4521 9.4521 9.4543 9.4543 9.4552 9.4552 11.8672 11.8672 11.9022 11.9038 k = 0.0164 0.0164 0.0164 ( 3749 PWs) bands (ev): -39.5447 -39.5447 -39.4536 -39.4536 -39.4536 -39.4536 -18.5803 -18.5803 -18.5802 -18.5802 -18.3928 -18.3928 -18.0736 -18.0736 -18.0668 -18.0668 -18.0667 -18.0667 -17.9779 -17.9779 -17.7855 -17.7855 -17.7847 -17.7847 -0.7824 -0.7824 3.7242 3.7242 8.4334 8.4334 8.4426 8.4426 8.4707 8.4707 8.9607 8.9607 8.9611 8.9611 9.4472 9.4472 9.4553 9.4553 9.4564 9.4564 11.8466 11.8466 11.8818 11.8819 k = 0.0246 0.0246 0.0246 ( 3755 PWs) bands (ev): -39.5445 -39.5445 -39.4537 -39.4537 -39.4537 -39.4537 -18.5801 -18.5801 -18.5797 -18.5797 -18.3930 -18.3930 -18.0735 -18.0735 -18.0667 -18.0667 -18.0665 -18.0665 -17.9780 -17.9780 -17.7866 -17.7866 -17.7848 -17.7848 -0.7768 -0.7768 3.7295 3.7295 8.4071 8.4071 8.4206 8.4206 8.4606 8.4606 8.9756 8.9756 8.9764 8.9764 9.4383 9.4383 9.4575 9.4575 9.4588 9.4588 11.8122 11.8122 11.8590 11.8595 k = 0.0328 0.0328 0.0328 ( 3755 PWs) bands (ev): -39.5442 -39.5442 -39.4539 -39.4539 -39.4539 -39.4539 -18.5798 -18.5798 -18.5790 -18.5790 -18.3931 -18.3931 -18.0734 -18.0734 -18.0666 -18.0666 -18.0662 -18.0662 -17.9782 -17.9782 -17.7881 -17.7881 -17.7850 -17.7850 -0.7690 -0.7690 3.7370 3.7370 8.3731 8.3731 8.3883 8.3883 8.4510 8.4510 8.9935 8.9935 8.9947 8.9947 9.4257 9.4257 9.4610 9.4610 9.4624 9.4624 11.7697 11.7697 11.8354 11.8364 k = 0.0410 0.0410 0.0410 ( 3755 PWs) bands (ev): -39.5439 -39.5439 -39.4540 -39.4540 -39.4540 -39.4540 -18.5794 -18.5794 -18.5782 -18.5782 -18.3933 -18.3933 -18.0733 -18.0733 -18.0664 -18.0664 -18.0658 -18.0658 -17.9784 -17.9784 -17.7901 -17.7901 -17.7853 -17.7853 -0.7589 -0.7589 3.7465 3.7465 8.3329 8.3329 8.3487 8.3487 8.4405 8.4405 9.0125 9.0125 9.0139 9.0139 9.4091 9.4091 9.4661 9.4661 9.4675 9.4675 11.7242 11.7242 11.8111 11.8116 k = 0.0492 0.0492 0.0492 ( 3767 PWs) bands (ev): -39.5434 -39.5434 -39.4543 -39.4543 -39.4543 -39.4543 -18.5789 -18.5789 -18.5772 -18.5772 -18.3936 -18.3936 -18.0732 -18.0732 -18.0662 -18.0662 -18.0654 -18.0654 -17.9787 -17.9787 -17.7925 -17.7925 -17.7856 -17.7856 -0.7467 -0.7467 3.7582 3.7582 8.2879 8.2879 8.3038 8.3038 8.4285 8.4285 9.0308 9.0308 9.0324 9.0324 9.3882 9.3882 9.4731 9.4731 9.4746 9.4746 11.6786 11.6786 11.7870 11.7873 k = 0.0574 0.0574 0.0574 ( 3773 PWs) bands (ev): -39.5429 -39.5429 -39.4545 -39.4545 -39.4545 -39.4545 -18.5783 -18.5783 -18.5760 -18.5760 -18.3940 -18.3940 -18.0733 -18.0733 -18.0658 -18.0658 -18.0649 -18.0649 -17.9789 -17.9789 -17.7952 -17.7952 -17.7859 -17.7859 -0.7323 -0.7323 3.7719 3.7719 8.2392 8.2392 8.2550 8.2550 8.4146 8.4146 9.0472 9.0472 9.0488 9.0488 9.3628 9.3628 9.4826 9.4826 9.4842 9.4842 11.6347 11.6347 11.7638 11.7642 k = 0.0656 0.0656 0.0656 ( 3767 PWs) bands (ev): -39.5423 -39.5423 -39.4548 -39.4548 -39.4548 -39.4548 -18.5777 -18.5777 -18.5747 -18.5747 -18.3944 -18.3944 -18.0735 -18.0735 -18.0652 -18.0652 -18.0642 -18.0642 -17.9792 -17.9792 -17.7983 -17.7983 -17.7862 -17.7862 -0.7157 -0.7157 3.7877 3.7877 8.1875 8.1875 8.2032 8.2032 8.3989 8.3989 9.0604 9.0604 9.0620 9.0620 9.3329 9.3329 9.4950 9.4950 9.4967 9.4967 11.5939 11.5939 11.7425 11.7426 k = 0.0738 0.0738 0.0738 ( 3773 PWs) bands (ev): -39.5417 -39.5417 -39.4551 -39.4551 -39.4551 -39.4551 -18.5770 -18.5770 -18.5732 -18.5732 -18.3949 -18.3949 -18.0738 -18.0738 -18.0645 -18.0645 -18.0635 -18.0635 -17.9794 -17.9794 -17.8017 -17.8017 -17.7866 -17.7866 -0.6971 -0.6971 3.8055 3.8055 8.1333 8.1333 8.1489 8.1489 8.3813 8.3813 9.0698 9.0698 9.0712 9.0712 9.2981 9.2981 9.5106 9.5106 9.5124 9.5124 11.5571 11.5571 11.7233 11.7236 k = 0.0820 0.0820 0.0820 ( 3767 PWs) bands (ev): -39.5409 -39.5409 -39.4555 -39.4555 -39.4555 -39.4555 -18.5763 -18.5763 -18.5716 -18.5716 -18.3955 -18.3955 -18.0742 -18.0742 -18.0636 -18.0636 -18.0626 -18.0626 -17.9796 -17.9796 -17.8054 -17.8054 -17.7871 -17.7871 -0.6763 -0.6763 3.8253 3.8253 8.0772 8.0772 8.0927 8.0927 8.3617 8.3617 9.0749 9.0749 9.0759 9.0759 9.2589 9.2589 9.5298 9.5298 9.5316 9.5316 11.5248 11.5248 11.7069 11.7078 k = 0.0902 0.0902 0.0902 ( 3773 PWs) bands (ev): -39.5401 -39.5401 -39.4559 -39.4559 -39.4559 -39.4559 -18.5755 -18.5755 -18.5699 -18.5699 -18.3962 -18.3962 -18.0748 -18.0748 -18.0627 -18.0627 -18.0617 -18.0617 -17.9798 -17.9798 -17.8094 -17.8094 -17.7876 -17.7876 -0.6535 -0.6535 3.8471 3.8471 8.0195 8.0195 8.0349 8.0349 8.3401 8.3401 9.0754 9.0754 9.0761 9.0761 9.2150 9.2150 9.5524 9.5524 9.5541 9.5541 11.4976 11.4976 11.6934 11.6937 k = 0.0984 0.0984 0.0984 ( 3767 PWs) bands (ev): -39.5392 -39.5392 -39.4563 -39.4563 -39.4563 -39.4563 -18.5746 -18.5746 -18.5680 -18.5680 -18.3970 -18.3970 -18.0755 -18.0755 -18.0617 -18.0617 -18.0606 -18.0606 -17.9798 -17.9798 -17.8137 -17.8137 -17.7881 -17.7881 -0.6287 -0.6287 3.8707 3.8707 7.9605 7.9605 7.9758 7.9758 8.3164 8.3164 9.0716 9.0716 9.0719 9.0719 9.1671 9.1671 9.5783 9.5783 9.5800 9.5800 11.4755 11.4755 11.6830 11.6837 k = 0.1066 0.1066 0.1066 ( 3755 PWs) bands (ev): -39.5383 -39.5383 -39.4568 -39.4568 -39.4568 -39.4568 -18.5737 -18.5737 -18.5661 -18.5661 -18.3979 -18.3979 -18.0762 -18.0762 -18.0607 -18.0607 -18.0593 -18.0593 -17.9798 -17.9798 -17.8181 -17.8181 -17.7886 -17.7886 -0.6018 -0.6018 3.8963 3.8963 7.9004 7.9004 7.9155 7.9155 8.2904 8.2904 9.0637 9.0637 9.0639 9.0639 9.1155 9.1155 9.6072 9.6072 9.6090 9.6090 11.4585 11.4585 11.6756 11.6758 k = 0.1148 0.1148 0.1148 ( 3752 PWs) bands (ev): -39.5373 -39.5373 -39.4573 -39.4573 -39.4573 -39.4573 -18.5729 -18.5729 -18.5641 -18.5641 -18.3989 -18.3989 -18.0771 -18.0771 -18.0596 -18.0596 -18.0580 -18.0580 -17.9796 -17.9796 -17.8228 -17.8228 -17.7891 -17.7891 -0.5732 -0.5732 3.9235 3.9235 7.8394 7.8394 7.8544 7.8544 8.2618 8.2618 9.0513 9.0513 9.0524 9.0524 9.0614 9.0614 9.6388 9.6388 9.6406 9.6406 11.4463 11.4463 11.6713 11.6717 k = 0.1230 0.1230 0.1230 ( 3740 PWs) bands (ev): -39.5362 -39.5362 -39.4578 -39.4578 -39.4578 -39.4578 -18.5720 -18.5720 -18.5620 -18.5620 -18.4002 -18.4002 -18.0780 -18.0780 -18.0586 -18.0586 -18.0565 -18.0565 -17.9793 -17.9793 -17.8275 -17.8275 -17.7896 -17.7896 -0.5426 -0.5426 3.9526 3.9526 7.7777 7.7777 7.7925 7.7925 8.2306 8.2306 9.0038 9.0038 9.0371 9.0371 9.0378 9.0378 9.6729 9.6729 9.6747 9.6747 11.4386 11.4386 11.6698 11.6700 k = 0.1311 0.1311 0.1311 ( 3740 PWs) bands (ev): -39.5351 -39.5351 -39.4584 -39.4584 -39.4584 -39.4584 -18.5711 -18.5711 -18.5600 -18.5600 -18.4015 -18.4015 -18.0791 -18.0791 -18.0577 -18.0577 -18.0548 -18.0548 -17.9788 -17.9788 -17.8323 -17.8323 -17.7902 -17.7902 -0.5103 -0.5103 3.9833 3.9833 7.7154 7.7154 7.7301 7.7301 8.1961 8.1961 8.9458 8.9458 9.0194 9.0194 9.0206 9.0206 9.7090 9.7090 9.7108 9.7108 11.4349 11.4349 11.6710 11.6713 k = 0.1393 0.1393 0.1393 ( 3734 PWs) bands (ev): -39.5339 -39.5339 -39.4589 -39.4589 -39.4589 -39.4589 -18.5703 -18.5703 -18.5578 -18.5578 -18.4031 -18.4031 -18.0802 -18.0802 -18.0569 -18.0569 -18.0531 -18.0531 -17.9781 -17.9781 -17.8371 -17.8371 -17.7907 -17.7907 -0.4762 -0.4762 4.0156 4.0156 7.6527 7.6527 7.6672 7.6672 8.1582 8.1582 8.8873 8.8873 8.9996 8.9996 9.0011 9.0011 9.7469 9.7469 9.7488 9.7488 11.4346 11.4346 11.6746 11.6763 k = 0.1475 0.1475 0.1475 ( 3731 PWs) bands (ev): -39.5327 -39.5327 -39.4595 -39.4595 -39.4595 -39.4595 -18.5695 -18.5695 -18.5557 -18.5557 -18.4048 -18.4048 -18.0815 -18.0815 -18.0562 -18.0562 -18.0512 -18.0512 -17.9772 -17.9772 -17.8419 -17.8419 -17.7913 -17.7913 -0.4404 -0.4404 4.0495 4.0495 7.5897 7.5897 7.6039 7.6039 8.1164 8.1164 8.8296 8.8296 8.9781 8.9781 8.9799 8.9799 9.7865 9.7865 9.7884 9.7884 11.4371 11.4371 11.6801 11.6805 k = 0.1557 0.1557 0.1557 ( 3725 PWs) bands (ev): -39.5314 -39.5314 -39.4602 -39.4602 -39.4602 -39.4602 -18.5687 -18.5687 -18.5537 -18.5537 -18.4068 -18.4068 -18.0828 -18.0828 -18.0557 -18.0557 -18.0491 -18.0491 -17.9761 -17.9761 -17.8465 -17.8465 -17.7918 -17.7918 -0.4031 -0.4031 4.0848 4.0848 7.5265 7.5265 7.5405 7.5405 8.0702 8.0702 8.7736 8.7736 8.9553 8.9553 8.9574 8.9574 9.8276 9.8276 9.8296 9.8296 11.4416 11.4416 11.6873 11.6901 k = 0.1639 0.1639 0.1639 ( 3713 PWs) bands (ev): -39.5300 -39.5300 -39.4608 -39.4608 -39.4608 -39.4608 -18.5680 -18.5680 -18.5516 -18.5516 -18.4090 -18.4090 -18.0841 -18.0841 -18.0554 -18.0554 -18.0469 -18.0469 -17.9747 -17.9747 -17.8510 -17.8510 -17.7923 -17.7923 -0.3642 -0.3642 4.1215 4.1215 7.4631 7.4631 7.4769 7.4769 8.0194 8.0194 8.7203 8.7203 8.9317 8.9317 8.9340 8.9340 9.8700 9.8700 9.8720 9.8720 11.4474 11.4474 11.6956 11.6959 k = 0.1721 0.1721 0.1721 ( 3719 PWs) bands (ev): -39.5287 -39.5287 -39.4615 -39.4615 -39.4615 -39.4615 -18.5674 -18.5674 -18.5496 -18.5496 -18.4114 -18.4114 -18.0856 -18.0856 -18.0553 -18.0553 -18.0445 -18.0445 -17.9731 -17.9731 -17.8554 -17.8554 -17.7928 -17.7928 -0.3239 -0.3239 4.1594 4.1594 7.3998 7.3998 7.4132 7.4132 7.9637 7.9637 8.6703 8.6703 8.9074 8.9074 8.9098 8.9098 9.9135 9.9135 9.9156 9.9156 11.4538 11.4538 11.7044 11.7047 k = 0.1803 0.1803 0.1803 ( 3725 PWs) bands (ev): -39.5273 -39.5273 -39.4622 -39.4622 -39.4622 -39.4622 -18.5668 -18.5668 -18.5477 -18.5477 -18.4141 -18.4141 -18.0872 -18.0872 -18.0554 -18.0554 -18.0420 -18.0420 -17.9713 -17.9713 -17.8594 -17.8594 -17.7933 -17.7933 -0.2822 -0.2822 4.1986 4.1986 7.3365 7.3365 7.3496 7.3496 7.9032 7.9032 8.6241 8.6241 8.8828 8.8828 8.8853 8.8853 9.9581 9.9581 9.9603 9.9603 11.4601 11.4601 11.7133 11.7134 k = 0.1885 0.1885 0.1885 ( 3725 PWs) bands (ev): -39.5258 -39.5258 -39.4629 -39.4629 -39.4629 -39.4629 -18.5663 -18.5663 -18.5459 -18.5459 -18.4170 -18.4170 -18.0888 -18.0888 -18.0558 -18.0558 -18.0393 -18.0393 -17.9692 -17.9692 -17.8632 -17.8632 -17.7937 -17.7937 -0.2391 -0.2391 4.2388 4.2388 7.2735 7.2735 7.2862 7.2862 7.8382 7.8382 8.5821 8.5821 8.8583 8.8583 8.8609 8.8609 10.0037 10.0037 10.0060 10.0060 11.4658 11.4658 11.7212 11.7214 k = 0.1967 0.1967 0.1967 ( 3728 PWs) bands (ev): -39.5243 -39.5243 -39.4636 -39.4636 -39.4636 -39.4636 -18.5659 -18.5659 -18.5442 -18.5442 -18.4202 -18.4202 -18.0904 -18.0904 -18.0564 -18.0564 -18.0364 -18.0364 -17.9671 -17.9671 -17.8665 -17.8665 -17.7941 -17.7941 -0.1948 -0.1948 4.2800 4.2800 7.2107 7.2107 7.2231 7.2231 7.7690 7.7690 8.5443 8.5443 8.8342 8.8342 8.8368 8.8368 10.0501 10.0501 10.0525 10.0525 11.4703 11.4703 11.7280 11.7285 k = 0.2049 0.2049 0.2049 ( 3734 PWs) bands (ev): -39.5228 -39.5228 -39.4643 -39.4643 -39.4643 -39.4643 -18.5656 -18.5656 -18.5425 -18.5425 -18.4236 -18.4236 -18.0922 -18.0922 -18.0573 -18.0573 -18.0334 -18.0334 -17.9648 -17.9648 -17.8694 -17.8694 -17.7945 -17.7945 -0.1494 -0.1494 4.3221 4.3221 7.1482 7.1482 7.1602 7.1602 7.6962 7.6962 8.5106 8.5106 8.8105 8.8105 8.8129 8.8129 10.0973 10.0973 10.0998 10.0998 11.4731 11.4731 11.7327 11.7400 k = 0.2131 0.2131 0.2131 ( 3722 PWs) bands (ev): -39.5213 -39.5213 -39.4651 -39.4651 -39.4651 -39.4651 -18.5654 -18.5654 -18.5410 -18.5410 -18.4273 -18.4273 -18.0941 -18.0941 -18.0582 -18.0582 -18.0302 -18.0302 -17.9623 -17.9623 -17.8718 -17.8718 -17.7948 -17.7948 -0.1029 -0.1029 4.3649 4.3649 7.0863 7.0863 7.0979 7.0979 7.6205 7.6205 8.4807 8.4807 8.7875 8.7875 8.7899 8.7899 10.1453 10.1453 10.1478 10.1478 11.4740 11.4740 11.7347 11.7377 k = 0.2213 0.2213 0.2213 ( 3728 PWs) bands (ev): -39.5198 -39.5198 -39.4658 -39.4658 -39.4658 -39.4658 -18.5653 -18.5653 -18.5396 -18.5396 -18.4313 -18.4313 -18.0960 -18.0960 -18.0594 -18.0594 -18.0269 -18.0269 -17.9599 -17.9599 -17.8736 -17.8736 -17.7951 -17.7951 -0.0555 -0.0555 4.4083 4.4083 7.0249 7.0249 7.0361 7.0361 7.5422 7.5422 8.4544 8.4544 8.7653 8.7653 8.7676 8.7676 10.1936 10.1936 10.1963 10.1963 11.4727 11.4727 11.7354 11.7388 k = 0.2295 0.2295 0.2295 ( 3734 PWs) bands (ev): -39.5182 -39.5182 -39.4666 -39.4666 -39.4666 -39.4666 -18.5652 -18.5652 -18.5384 -18.5384 -18.4356 -18.4356 -18.0981 -18.0981 -18.0607 -18.0607 -18.0234 -18.0234 -17.9575 -17.9575 -17.8748 -17.8748 -17.7954 -17.7954 -0.0072 -0.0072 4.4522 4.4522 6.9641 6.9641 6.9748 6.9748 7.4623 7.4623 8.4315 8.4315 8.7442 8.7442 8.7463 8.7463 10.2424 10.2424 10.2451 10.2451 11.4690 11.4690 11.7290 11.7347 k = 0.2377 0.2377 0.2377 ( 3734 PWs) bands (ev): -39.5166 -39.5166 -39.4674 -39.4674 -39.4674 -39.4674 -18.5654 -18.5654 -18.5373 -18.5373 -18.4400 -18.4400 -18.1003 -18.1003 -18.0620 -18.0620 -18.0198 -18.0198 -17.9552 -17.9552 -17.8754 -17.8754 -17.7956 -17.7956 0.0418 0.0418 4.4964 4.4964 6.9040 6.9040 6.9143 6.9143 7.3812 7.3812 8.4116 8.4116 8.7243 8.7243 8.7261 8.7261 10.2915 10.2915 10.2942 10.2942 11.4630 11.4630 11.7234 11.7259 k = 0.2459 0.2459 0.2459 ( 3728 PWs) bands (ev): -39.5150 -39.5150 -39.4681 -39.4681 -39.4681 -39.4681 -18.5656 -18.5656 -18.5363 -18.5363 -18.4447 -18.4447 -18.1026 -18.1026 -18.0634 -18.0634 -18.0161 -18.0161 -17.9530 -17.9530 -17.8752 -17.8752 -17.7956 -17.7956 0.0915 0.0915 4.5408 4.5408 6.8447 6.8447 6.8545 6.8545 7.2994 7.2994 8.3946 8.3946 8.7056 8.7056 8.7071 8.7071 10.3407 10.3407 10.3435 10.3435 11.4545 11.4545 11.7090 11.7125 k = 0.2541 0.2541 0.2541 ( 3737 PWs) bands (ev): -39.5135 -39.5135 -39.4689 -39.4689 -39.4689 -39.4689 -18.5659 -18.5659 -18.5355 -18.5355 -18.4496 -18.4496 -18.1050 -18.1050 -18.0648 -18.0648 -18.0123 -18.0123 -17.9510 -17.9510 -17.8745 -17.8745 -17.7957 -17.7957 0.1417 0.1417 4.5852 4.5852 6.7863 6.7863 6.7956 6.7956 7.2174 7.2174 8.3802 8.3802 8.6883 8.6883 8.6895 8.6895 10.3898 10.3898 10.3927 10.3927 11.4437 11.4437 11.6954 11.6960 k = 0.2623 0.2623 0.2623 ( 3737 PWs) bands (ev): -39.5119 -39.5119 -39.4697 -39.4697 -39.4697 -39.4697 -18.5664 -18.5664 -18.5348 -18.5348 -18.4546 -18.4546 -18.1077 -18.1077 -18.0661 -18.0661 -18.0084 -18.0084 -17.9492 -17.9492 -17.8730 -17.8730 -17.7957 -17.7957 0.1924 0.1924 4.6295 4.6295 6.7289 6.7289 6.7377 6.7377 7.1355 7.1355 8.3684 8.3684 8.6724 8.6724 8.6732 8.6732 10.4388 10.4388 10.4418 10.4418 11.4307 11.4307 11.6728 11.6756 k = 0.2705 0.2705 0.2705 ( 3725 PWs) bands (ev): -39.5103 -39.5103 -39.4704 -39.4704 -39.4704 -39.4704 -18.5670 -18.5670 -18.5343 -18.5343 -18.4598 -18.4598 -18.1104 -18.1104 -18.0673 -18.0673 -18.0044 -18.0044 -17.9475 -17.9475 -17.8709 -17.8709 -17.7956 -17.7956 0.2434 0.2434 4.6735 4.6735 6.6725 6.6725 6.6809 6.6809 7.0543 7.0543 8.3591 8.3591 8.6581 8.6581 8.6586 8.6586 10.4874 10.4874 10.4905 10.4905 11.4155 11.4155 11.6498 11.6509 k = 0.2787 0.2787 0.2787 ( 3728 PWs) bands (ev): -39.5087 -39.5087 -39.4712 -39.4712 -39.4712 -39.4712 -18.5677 -18.5677 -18.5339 -18.5339 -18.4651 -18.4651 -18.1133 -18.1133 -18.0685 -18.0685 -18.0003 -18.0003 -17.9461 -17.9461 -17.8683 -17.8683 -17.7954 -17.7954 0.2946 0.2946 4.7170 4.7170 6.6173 6.6173 6.6252 6.6252 6.9738 6.9738 8.3521 8.3521 8.6452 8.6452 8.6453 8.6453 10.5355 10.5355 10.5386 10.5386 11.3984 11.3984 11.6240 11.6249 k = 0.2869 0.2869 0.2869 ( 3728 PWs) bands (ev): -39.5072 -39.5072 -39.4719 -39.4719 -39.4719 -39.4719 -18.5687 -18.5687 -18.5337 -18.5337 -18.4705 -18.4705 -18.1163 -18.1163 -18.0695 -18.0695 -17.9962 -17.9962 -17.9448 -17.9448 -17.8651 -17.8651 -17.7952 -17.7952 0.3458 0.3458 4.7599 4.7599 6.5633 6.5633 6.5707 6.5707 6.8945 6.8945 8.3474 8.3474 8.6335 8.6335 8.6339 8.6339 10.5827 10.5827 10.5860 10.5860 11.3795 11.3795 11.5962 11.5964 k = 0.2951 0.2951 0.2951 ( 3734 PWs) bands (ev): -39.5056 -39.5056 -39.4727 -39.4727 -39.4727 -39.4727 -18.5697 -18.5697 -18.5336 -18.5336 -18.4759 -18.4759 -18.1195 -18.1195 -18.0704 -18.0704 -17.9921 -17.9921 -17.9437 -17.9437 -17.8615 -17.8615 -17.7949 -17.7949 0.3971 0.3971 4.8021 4.8021 6.5106 6.5106 6.5175 6.5175 6.8165 6.8165 8.3449 8.3449 8.6233 8.6233 8.6241 8.6241 10.6289 10.6289 10.6323 10.6323 11.3587 11.3587 11.5653 11.5657 k = 0.3033 0.3033 0.3033 ( 3731 PWs) bands (ev): -39.5041 -39.5041 -39.4734 -39.4734 -39.4734 -39.4734 -18.5709 -18.5709 -18.5336 -18.5336 -18.4813 -18.4813 -18.1227 -18.1227 -18.0711 -18.0711 -17.9880 -17.9880 -17.9427 -17.9427 -17.8576 -17.8576 -17.7946 -17.7946 0.4481 0.4481 4.8432 4.8432 6.4593 6.4593 6.4658 6.4658 6.7403 6.7403 8.3448 8.3448 8.6145 8.6145 8.6158 8.6158 10.6739 10.6739 10.6774 10.6774 11.3366 11.3366 11.5333 11.5335 k = 0.3115 0.3115 0.3115 ( 3725 PWs) bands (ev): -39.5027 -39.5027 -39.4741 -39.4741 -39.4741 -39.4741 -18.5723 -18.5723 -18.5338 -18.5338 -18.4866 -18.4866 -18.1260 -18.1260 -18.0718 -18.0718 -17.9839 -17.9839 -17.9417 -17.9417 -17.8534 -17.8534 -17.7941 -17.7941 0.4988 0.4988 4.8832 4.8832 6.4095 6.4095 6.4154 6.4154 6.6658 6.6658 8.3470 8.3470 8.6073 8.6073 8.6091 8.6091 10.7172 10.7172 10.7210 10.7210 11.3130 11.3130 11.5004 11.5004 k = 0.3197 0.3197 0.3197 ( 3719 PWs) bands (ev): -39.5012 -39.5012 -39.4748 -39.4748 -39.4748 -39.4748 -18.5739 -18.5739 -18.5340 -18.5340 -18.4919 -18.4919 -18.1293 -18.1293 -18.0723 -18.0723 -17.9798 -17.9798 -17.9408 -17.9408 -17.8489 -17.8489 -17.7936 -17.7936 0.5491 0.5491 4.9219 4.9219 6.3612 6.3612 6.3667 6.3667 6.5934 6.5934 8.3512 8.3512 8.6017 8.6017 8.6040 8.6040 10.7587 10.7587 10.7627 10.7627 11.2880 11.2880 11.4667 11.4667 k = 0.3279 0.3279 0.3279 ( 3716 PWs) bands (ev): -39.4998 -39.4998 -39.4755 -39.4755 -39.4755 -39.4755 -18.5756 -18.5756 -18.5343 -18.5343 -18.4970 -18.4970 -18.1326 -18.1326 -18.0727 -18.0727 -17.9758 -17.9758 -17.9400 -17.9400 -17.8443 -17.8443 -17.7930 -17.7930 0.5988 0.5988 4.9591 4.9591 6.3145 6.3145 6.3195 6.3195 6.5232 6.5232 8.3575 8.3575 8.5974 8.5974 8.6002 8.6002 10.7978 10.7978 10.8021 10.8021 11.2618 11.2618 11.4329 11.4329 k = 0.3361 0.3361 0.3361 ( 3710 PWs) bands (ev): -39.4984 -39.4984 -39.4762 -39.4762 -39.4762 -39.4762 -18.5775 -18.5775 -18.5347 -18.5347 -18.5020 -18.5020 -18.1359 -18.1359 -18.0730 -18.0730 -17.9719 -17.9719 -17.9391 -17.9391 -17.8396 -17.8396 -17.7924 -17.7924 0.6478 0.6478 4.9947 4.9947 6.2694 6.2694 6.2740 6.2740 6.4554 6.4554 8.3660 8.3660 8.5945 8.5945 8.5979 8.5979 10.8340 10.8340 10.8387 10.8387 11.2344 11.2345 11.3996 11.3996 k = 0.3443 0.3443 0.3443 ( 3719 PWs) bands (ev): -39.4971 -39.4971 -39.4768 -39.4768 -39.4768 -39.4768 -18.5797 -18.5797 -18.5353 -18.5353 -18.5067 -18.5067 -18.1392 -18.1392 -18.0732 -18.0732 -17.9681 -17.9681 -17.9384 -17.9384 -17.8349 -17.8349 -17.7917 -17.7917 0.6958 0.6958 5.0284 5.0284 6.2261 6.2261 6.2302 6.2302 6.3902 6.3902 8.3763 8.3763 8.5929 8.5929 8.5968 8.5968 10.8667 10.8667 10.8720 10.8720 11.2061 11.2061 11.3675 11.3677 k = 0.3525 0.3525 0.3525 ( 3719 PWs) bands (ev): -39.4958 -39.4958 -39.4775 -39.4775 -39.4775 -39.4775 -18.5820 -18.5820 -18.5358 -18.5358 -18.5112 -18.5112 -18.1424 -18.1424 -18.0733 -18.0733 -17.9643 -17.9643 -17.9376 -17.9376 -17.8302 -17.8302 -17.7910 -17.7910 0.7428 0.7428 5.0601 5.0601 6.1846 6.1846 6.1883 6.1883 6.3278 6.3278 8.3885 8.3885 8.5926 8.5926 8.5971 8.5971 10.8952 10.8952 10.9011 10.9011 11.1769 11.1769 11.3374 11.3374 k = 0.3607 0.3607 0.3607 ( 3719 PWs) bands (ev): -39.4945 -39.4945 -39.4781 -39.4781 -39.4781 -39.4781 -18.5844 -18.5844 -18.5365 -18.5365 -18.5154 -18.5154 -18.1455 -18.1455 -18.0734 -18.0734 -17.9607 -17.9607 -17.9369 -17.9369 -17.8255 -17.8255 -17.7902 -17.7902 0.7885 0.7885 5.0898 5.0898 6.1450 6.1450 6.1483 6.1483 6.2684 6.2684 8.4026 8.4026 8.5934 8.5934 8.5984 8.5984 10.9184 10.9184 10.9252 10.9252 11.1471 11.1471 11.3104 11.3105 k = 0.3689 0.3689 0.3689 ( 3716 PWs) bands (ev): -39.4933 -39.4933 -39.4786 -39.4786 -39.4786 -39.4786 -18.5871 -18.5871 -18.5371 -18.5371 -18.5193 -18.5193 -18.1485 -18.1485 -18.0734 -18.0734 -17.9573 -17.9573 -17.9362 -17.9362 -17.8209 -17.8209 -17.7893 -17.7893 0.8329 0.8329 5.1172 5.1172 6.1073 6.1073 6.1102 6.1102 6.2121 6.2121 8.4183 8.4183 8.5953 8.5953 8.6009 8.6009 10.9352 10.9352 10.9430 10.9430 11.1168 11.1168 11.2878 11.2880 k = 0.3770 0.3770 0.3770 ( 3716 PWs) bands (ev): -39.4922 -39.4922 -39.4792 -39.4792 -39.4792 -39.4792 -18.5898 -18.5898 -18.5378 -18.5378 -18.5229 -18.5229 -18.1514 -18.1514 -18.0734 -18.0734 -17.9540 -17.9540 -17.9355 -17.9355 -17.8164 -17.8164 -17.7885 -17.7885 0.8758 0.8758 5.1421 5.1421 6.0716 6.0716 6.0742 6.0742 6.1592 6.1592 8.4355 8.4355 8.5981 8.5981 8.6043 8.6043 10.9447 10.9447 10.9534 10.9534 11.0861 11.0861 11.2710 11.2710 k = 0.3852 0.3852 0.3852 ( 3722 PWs) bands (ev): -39.4911 -39.4911 -39.4797 -39.4797 -39.4797 -39.4797 -18.5927 -18.5927 -18.5385 -18.5385 -18.5262 -18.5262 -18.1541 -18.1541 -18.0733 -18.0733 -17.9509 -17.9509 -17.9348 -17.9348 -17.8120 -17.8120 -17.7876 -17.7876 0.9169 0.9169 5.1647 5.1647 6.0379 6.0379 6.0402 6.0402 6.1097 6.1097 8.4538 8.4538 8.6018 8.6018 8.6085 8.6085 10.9462 10.9462 10.9558 10.9558 11.0552 11.0552 11.2605 11.2612 k = 0.3934 0.3934 0.3934 ( 3722 PWs) bands (ev): -39.4901 -39.4901 -39.4802 -39.4802 -39.4802 -39.4802 -18.5956 -18.5956 -18.5392 -18.5392 -18.5291 -18.5291 -18.1567 -18.1567 -18.0732 -18.0732 -17.9480 -17.9480 -17.9341 -17.9341 -17.8079 -17.8079 -17.7868 -17.7868 0.9562 0.9562 5.1848 5.1848 6.0064 6.0064 6.0083 6.0083 6.0639 6.0639 8.4732 8.4732 8.6062 8.6062 8.6134 8.6134 10.9401 10.9401 10.9504 10.9504 11.0245 11.0245 11.2565 11.2567 k = 0.4016 0.4016 0.4016 ( 3725 PWs) bands (ev): -39.4891 -39.4891 -39.4807 -39.4807 -39.4807 -39.4807 -18.5985 -18.5985 -18.5399 -18.5399 -18.5317 -18.5317 -18.1592 -18.1592 -18.0731 -18.0731 -17.9453 -17.9453 -17.9335 -17.9335 -17.8039 -17.8039 -17.7859 -17.7859 0.9934 0.9934 5.2023 5.2023 5.9770 5.9770 5.9785 5.9785 6.0219 6.0219 8.4934 8.4934 8.6111 8.6111 8.6189 8.6189 10.9278 10.9278 10.9385 10.9385 10.9940 10.9940 11.2579 11.2580 k = 0.4098 0.4098 0.4098 ( 3731 PWs) bands (ev): -39.4882 -39.4882 -39.4811 -39.4811 -39.4811 -39.4811 -18.6014 -18.6014 -18.5406 -18.5406 -18.5340 -18.5340 -18.1615 -18.1615 -18.0730 -18.0730 -17.9428 -17.9428 -17.9329 -17.9329 -17.8002 -17.8002 -17.7850 -17.7850 1.0285 1.0285 5.2172 5.2172 5.9497 5.9497 5.9510 5.9510 5.9837 5.9837 8.5139 8.5139 8.6164 8.6164 8.6248 8.6248 10.9110 10.9110 10.9219 10.9219 10.9640 10.9640 11.2631 11.2631 k = 0.4180 0.4180 0.4180 ( 3734 PWs) bands (ev): -39.4874 -39.4874 -39.4815 -39.4815 -39.4815 -39.4815 -18.6042 -18.6042 -18.5413 -18.5413 -18.5360 -18.5360 -18.1636 -18.1636 -18.0728 -18.0728 -17.9405 -17.9405 -17.9323 -17.9323 -17.7968 -17.7968 -17.7841 -17.7841 1.0611 1.0611 5.2296 5.2296 5.9247 5.9247 5.9257 5.9257 5.9495 5.9495 8.5346 8.5346 8.6219 8.6219 8.6309 8.6309 10.8916 10.8916 10.9026 10.9026 10.9349 10.9349 11.2704 11.2707 k = 0.4262 0.4262 0.4262 ( 3728 PWs) bands (ev): -39.4867 -39.4867 -39.4818 -39.4818 -39.4818 -39.4818 -18.6069 -18.6069 -18.5419 -18.5419 -18.5378 -18.5378 -18.1655 -18.1655 -18.0727 -18.0727 -17.9384 -17.9384 -17.9318 -17.9318 -17.7936 -17.7936 -17.7833 -17.7833 1.0913 1.0913 5.2396 5.2396 5.9020 5.9020 5.9027 5.9027 5.9193 5.9193 8.5549 8.5549 8.6277 8.6277 8.6372 8.6372 10.8711 10.8711 10.8821 10.8821 10.9070 10.9070 11.2788 11.2792 k = 0.4344 0.4344 0.4344 ( 3728 PWs) bands (ev): -39.4860 -39.4860 -39.4822 -39.4822 -39.4822 -39.4822 -18.6094 -18.6094 -18.5425 -18.5425 -18.5394 -18.5394 -18.1672 -18.1672 -18.0725 -18.0725 -17.9365 -17.9365 -17.9313 -17.9313 -17.7906 -17.7906 -17.7825 -17.7825 1.1187 1.1187 5.2474 5.2474 5.8815 5.8815 5.8821 5.8821 5.8930 5.8930 8.5746 8.5746 8.6333 8.6333 8.6434 8.6434 10.8505 10.8505 10.8616 10.8616 10.8807 10.8807 11.2873 11.2875 k = 0.4426 0.4426 0.4426 ( 3737 PWs) bands (ev): -39.4854 -39.4854 -39.4824 -39.4824 -39.4824 -39.4824 -18.6117 -18.6117 -18.5430 -18.5430 -18.5408 -18.5408 -18.1688 -18.1688 -18.0724 -18.0724 -17.9348 -17.9348 -17.9309 -17.9309 -17.7881 -17.7881 -17.7819 -17.7819 1.1432 1.1432 5.2531 5.2531 5.8634 5.8634 5.8638 5.8638 5.8705 5.8705 8.5932 8.5932 8.6387 8.6387 8.6494 8.6494 10.8307 10.8307 10.8419 10.8419 10.8563 10.8563 11.2951 11.2955 k = 0.4508 0.4508 0.4508 ( 3738 PWs) bands (ev): -39.4849 -39.4849 -39.4827 -39.4827 -39.4827 -39.4827 -18.6138 -18.6138 -18.5435 -18.5435 -18.5419 -18.5419 -18.1701 -18.1701 -18.0723 -18.0723 -17.9334 -17.9334 -17.9305 -17.9305 -17.7858 -17.7858 -17.7812 -17.7812 1.1649 1.1649 5.2571 5.2571 5.8477 5.8477 5.8479 5.8479 5.8517 5.8517 8.6102 8.6102 8.6437 8.6437 8.6551 8.6551 10.8123 10.8123 10.8238 10.8238 10.8342 10.8342 11.3023 11.3024 k = 0.4590 0.4590 0.4590 ( 3738 PWs) bands (ev): -39.4844 -39.4844 -39.4829 -39.4829 -39.4829 -39.4829 -18.6156 -18.6156 -18.5439 -18.5439 -18.5428 -18.5428 -18.1713 -18.1713 -18.0722 -18.0722 -17.9322 -17.9322 -17.9302 -17.9302 -17.7838 -17.7838 -17.7807 -17.7807 1.1834 1.1834 5.2597 5.2597 5.8343 5.8343 5.8344 5.8344 5.8363 5.8363 8.6253 8.6253 8.6483 8.6483 8.6604 8.6604 10.7959 10.7959 10.8078 10.8078 10.8149 10.8149 11.3085 11.3086 k = 0.4672 0.4672 0.4672 ( 3738 PWs) bands (ev): -39.4841 -39.4841 -39.4831 -39.4831 -39.4831 -39.4831 -18.6171 -18.6171 -18.5442 -18.5442 -18.5436 -18.5436 -18.1722 -18.1722 -18.0721 -18.0721 -17.9312 -17.9312 -17.9299 -17.9299 -17.7822 -17.7822 -17.7802 -17.7802 1.1987 1.1987 5.2613 5.2613 5.8233 5.8233 5.8234 5.8234 5.8242 5.8242 8.6379 8.6379 8.6522 8.6522 8.6653 8.6653 10.7819 10.7819 10.7941 10.7941 10.7986 10.7986 11.3136 11.3136 k = 0.4754 0.4754 0.4754 ( 3738 PWs) bands (ev): -39.4838 -39.4838 -39.4832 -39.4832 -39.4832 -39.4832 -18.6183 -18.6183 -18.5445 -18.5445 -18.5442 -18.5442 -18.1729 -18.1729 -18.0720 -18.0720 -17.9304 -17.9304 -17.9297 -17.9297 -17.7810 -17.7810 -17.7798 -17.7798 1.2107 1.2107 5.2621 5.2621 5.8147 5.8147 5.8148 5.8148 5.8151 5.8151 8.6477 8.6477 8.6554 8.6554 8.6696 8.6696 10.7706 10.7706 10.7832 10.7832 10.7857 10.7857 11.3176 11.3179 k = 0.4836 0.4836 0.4836 ( 3714 PWs) bands (ev): -39.4836 -39.4836 -39.4833 -39.4833 -39.4833 -39.4833 -18.6191 -18.6191 -18.5446 -18.5446 -18.5445 -18.5445 -18.1734 -18.1734 -18.0719 -18.0719 -17.9298 -17.9298 -17.9294 -17.9294 -17.7800 -17.7800 -17.7795 -17.7795 1.2194 1.2194 5.2625 5.2625 5.8085 5.8085 5.8088 5.8088 5.8088 5.8088 8.6546 8.6546 8.6578 8.6578 8.6732 8.6732 10.7623 10.7623 10.7753 10.7753 10.7764 10.7764 11.3205 11.3212 k = 0.4918 0.4918 0.4918 ( 3690 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6196 -18.6196 -18.5447 -18.5447 -18.5447 -18.5447 -18.1737 -18.1737 -18.0718 -18.0718 -17.9294 -17.9294 -17.9293 -17.9293 -17.7794 -17.7794 -17.7793 -17.7793 1.2246 1.2246 5.2627 5.2627 5.8049 5.8049 5.8052 5.8052 5.8052 5.8052 8.6585 8.6585 8.6593 8.6593 8.6757 8.6757 10.7572 10.7572 10.7705 10.7705 10.7708 10.7708 11.3224 11.3233 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6197 -18.6197 -18.5447 -18.5447 -18.5447 -18.5447 -18.1737 -18.1737 -18.0717 -18.0717 -17.9292 -17.9292 -17.9292 -17.9292 -17.7791 -17.7791 -17.7791 -17.7791 1.2264 1.2264 5.2627 5.2627 5.8038 5.8038 5.8042 5.8042 5.8042 5.8042 8.6598 8.6598 8.6598 8.6598 8.6766 8.6766 10.7556 10.7556 10.7691 10.7691 10.7691 10.7691 11.3229 11.3230 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6197 -18.6197 -18.5447 -18.5447 -18.5447 -18.5447 -18.1737 -18.1737 -18.0717 -18.0717 -17.9292 -17.9292 -17.9292 -17.9292 -17.7791 -17.7791 -17.7791 -17.7791 1.2264 1.2264 5.2627 5.2627 5.8038 5.8038 5.8042 5.8042 5.8042 5.8042 8.6598 8.6598 8.6598 8.6598 8.6766 8.6766 10.7556 10.7556 10.7691 10.7691 10.7691 10.7691 11.3229 11.3230 k = 0.4900 0.5000 0.4900 ( 3688 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6196 -18.6196 -18.5447 -18.5447 -18.5447 -18.5447 -18.1737 -18.1737 -18.0718 -18.0718 -17.9294 -17.9294 -17.9293 -17.9293 -17.7794 -17.7794 -17.7793 -17.7793 1.2247 1.2247 5.2627 5.2627 5.8040 5.8040 5.8056 5.8056 5.8058 5.8058 8.6584 8.6584 8.6594 8.6594 8.6757 8.6757 10.7572 10.7572 10.7705 10.7705 10.7709 10.7709 11.3223 11.3227 k = 0.4800 0.5000 0.4800 ( 3708 PWs) bands (ev): -39.4835 -39.4835 -39.4834 -39.4834 -39.4833 -39.4833 -18.6191 -18.6191 -18.5447 -18.5447 -18.5445 -18.5445 -18.1734 -18.1734 -18.0719 -18.0719 -17.9298 -17.9298 -17.9294 -17.9294 -17.7800 -17.7800 -17.7794 -17.7794 1.2195 1.2195 5.2625 5.2625 5.8042 5.8042 5.8109 5.8109 5.8110 5.8110 8.6543 8.6543 8.6579 8.6579 8.6734 8.6734 10.7622 10.7622 10.7751 10.7751 10.7766 10.7766 11.3208 11.3211 k = 0.4700 0.5000 0.4700 ( 3720 PWs) bands (ev): -39.4837 -39.4837 -39.4834 -39.4834 -39.4831 -39.4831 -18.6183 -18.6183 -18.5445 -18.5445 -18.5441 -18.5441 -18.1729 -18.1729 -18.0720 -18.0720 -17.9303 -17.9303 -17.9296 -17.9296 -17.7809 -17.7809 -17.7797 -17.7797 1.2109 1.2109 5.2622 5.2622 5.8048 5.8048 5.8198 5.8198 5.8198 5.8198 8.6474 8.6474 8.6546 8.6546 8.6709 8.6709 10.7703 10.7703 10.7829 10.7829 10.7860 10.7860 11.3179 11.3183 k = 0.4600 0.5000 0.4600 ( 3720 PWs) bands (ev): -39.4839 -39.4839 -39.4834 -39.4834 -39.4829 -39.4829 -18.6171 -18.6171 -18.5443 -18.5443 -18.5435 -18.5435 -18.1722 -18.1722 -18.0720 -18.0720 -17.9311 -17.9311 -17.9299 -17.9299 -17.7822 -17.7822 -17.7800 -17.7800 1.1990 1.1990 5.2615 5.2615 5.8060 5.8060 5.8320 5.8320 5.8323 5.8323 8.6377 8.6377 8.6489 8.6489 8.6693 8.6693 10.7811 10.7811 10.7939 10.7939 10.7989 10.7989 11.3140 11.3140 k = 0.4500 0.5000 0.4500 ( 3732 PWs) bands (ev): -39.4842 -39.4842 -39.4834 -39.4834 -39.4827 -39.4827 -18.6156 -18.6156 -18.5440 -18.5440 -18.5428 -18.5428 -18.1713 -18.1713 -18.0722 -18.0722 -17.9320 -17.9320 -17.9302 -17.9302 -17.7839 -17.7839 -17.7805 -17.7805 1.1839 1.1839 5.2603 5.2603 5.8078 5.8078 5.8475 5.8475 5.8483 5.8483 8.6249 8.6249 8.6412 8.6412 8.6686 8.6686 10.7945 10.7945 10.8079 10.8079 10.8150 10.8150 11.3090 11.3097 k = 0.4400 0.5000 0.4400 ( 3732 PWs) bands (ev): -39.4845 -39.4845 -39.4834 -39.4834 -39.4823 -39.4823 -18.6138 -18.6138 -18.5436 -18.5436 -18.5419 -18.5419 -18.1701 -18.1701 -18.0723 -18.0723 -17.9332 -17.9332 -17.9306 -17.9306 -17.7859 -17.7859 -17.7810 -17.7810 1.1657 1.1657 5.2581 5.2581 5.8107 5.8107 5.8663 5.8663 5.8677 5.8677 8.6093 8.6093 8.6321 8.6321 8.6686 8.6686 10.8102 10.8102 10.8246 10.8246 10.8339 10.8339 11.3028 11.3030 k = 0.4300 0.5000 0.4300 ( 3732 PWs) bands (ev): -39.4849 -39.4849 -39.4834 -39.4834 -39.4820 -39.4820 -18.6117 -18.6117 -18.5431 -18.5431 -18.5408 -18.5408 -18.1688 -18.1688 -18.0724 -18.0724 -17.9346 -17.9346 -17.9310 -17.9310 -17.7882 -17.7882 -17.7817 -17.7817 1.1446 1.1446 5.2547 5.2547 5.8150 5.8150 5.8880 5.8880 5.8906 5.8906 8.5912 8.5912 8.6222 8.6222 8.6691 8.6691 10.8283 10.8283 10.8435 10.8435 10.8550 10.8550 11.2957 11.2964 k = 0.4200 0.5000 0.4200 ( 3726 PWs) bands (ev): -39.4853 -39.4853 -39.4834 -39.4834 -39.4815 -39.4815 -18.6094 -18.6094 -18.5426 -18.5426 -18.5395 -18.5395 -18.1673 -18.1673 -18.0725 -18.0725 -17.9362 -17.9362 -17.9315 -17.9315 -17.7907 -17.7907 -17.7824 -17.7824 1.1207 1.1207 5.2498 5.2498 5.8210 5.8210 5.9127 5.9127 5.9169 5.9169 8.5708 8.5708 8.6122 8.6122 8.6700 8.6700 10.8486 10.8486 10.8640 10.8640 10.8778 10.8778 11.2884 11.2885 k = 0.4100 0.5000 0.4100 ( 3736 PWs) bands (ev): -39.4858 -39.4858 -39.4834 -39.4834 -39.4811 -39.4811 -18.6068 -18.6068 -18.5420 -18.5420 -18.5380 -18.5380 -18.1655 -18.1655 -18.0727 -18.0727 -17.9380 -17.9380 -17.9321 -17.9321 -17.7936 -17.7936 -17.7832 -17.7832 1.0942 1.0942 5.2430 5.2430 5.8291 5.8291 5.9398 5.9398 5.9465 5.9465 8.5484 8.5484 8.6022 8.6022 8.6712 8.6712 10.8710 10.8710 10.8856 10.8856 10.9017 10.9017 11.2793 11.2798 k = 0.4000 0.5000 0.4000 ( 3736 PWs) bands (ev): -39.4864 -39.4864 -39.4835 -39.4835 -39.4805 -39.4805 -18.6041 -18.6041 -18.5413 -18.5413 -18.5364 -18.5364 -18.1636 -18.1636 -18.0728 -18.0728 -17.9399 -17.9399 -17.9328 -17.9328 -17.7968 -17.7968 -17.7841 -17.7841 1.0652 1.0652 5.2339 5.2339 5.8396 5.8396 5.9695 5.9695 5.9793 5.9793 8.5242 8.5242 8.5929 8.5929 8.6727 8.6727 10.8950 10.8950 10.9079 10.9079 10.9264 10.9264 11.2699 11.2702 k = 0.3900 0.5000 0.3900 ( 3732 PWs) bands (ev): -39.4870 -39.4870 -39.4835 -39.4835 -39.4800 -39.4800 -18.6011 -18.6011 -18.5406 -18.5406 -18.5345 -18.5345 -18.1615 -18.1615 -18.0730 -18.0730 -17.9421 -17.9421 -17.9334 -17.9334 -17.8002 -17.8002 -17.7850 -17.7850 1.0341 1.0341 5.2224 5.2224 5.8529 5.8529 6.0013 6.0013 6.0154 6.0154 8.4986 8.4986 8.5844 8.5844 8.6745 8.6745 10.9189 10.9189 10.9313 10.9313 10.9513 10.9513 11.2589 11.2592 k = 0.3800 0.5000 0.3800 ( 3732 PWs) bands (ev): -39.4876 -39.4876 -39.4835 -39.4835 -39.4793 -39.4793 -18.5981 -18.5981 -18.5398 -18.5398 -18.5325 -18.5325 -18.1592 -18.1592 -18.0731 -18.0731 -17.9444 -17.9444 -17.9342 -17.9342 -17.8038 -17.8038 -17.7861 -17.7861 1.0009 1.0009 5.2082 5.2082 5.8691 5.8691 6.0350 6.0350 6.0545 6.0545 8.4717 8.4717 8.5772 8.5772 8.6767 8.6767 10.9394 10.9394 10.9581 10.9581 10.9760 10.9760 11.2449 11.2450 k = 0.3700 0.5000 0.3700 ( 3732 PWs) bands (ev): -39.4883 -39.4883 -39.4835 -39.4835 -39.4787 -39.4787 -18.5949 -18.5949 -18.5390 -18.5390 -18.5303 -18.5303 -18.1568 -18.1568 -18.0733 -18.0733 -17.9469 -17.9469 -17.9350 -17.9350 -17.8076 -17.8076 -17.7872 -17.7872 0.9658 0.9658 5.1912 5.1912 5.8883 5.8883 6.0703 6.0703 6.0966 6.0966 8.4439 8.4439 8.5716 8.5716 8.6794 8.6794 10.9548 10.9548 10.9879 10.9879 11.0006 11.0006 11.2283 11.2283 k = 0.3600 0.5000 0.3600 ( 3736 PWs) bands (ev): -39.4890 -39.4890 -39.4835 -39.4835 -39.4780 -39.4780 -18.5917 -18.5917 -18.5381 -18.5381 -18.5278 -18.5278 -18.1542 -18.1542 -18.0734 -18.0734 -17.9495 -17.9495 -17.9359 -17.9359 -17.8115 -17.8115 -17.7884 -17.7884 0.9292 0.9292 5.1716 5.1716 5.9107 5.9107 6.1071 6.1071 6.1417 6.1417 8.4153 8.4153 8.5676 8.5676 8.6824 8.6824 10.9647 10.9647 11.0174 11.0174 11.0272 11.0272 11.2092 11.2093 k = 0.3500 0.5000 0.3500 ( 3724 PWs) bands (ev): -39.4898 -39.4898 -39.4835 -39.4835 -39.4772 -39.4772 -18.5885 -18.5885 -18.5371 -18.5371 -18.5252 -18.5252 -18.1514 -18.1514 -18.0735 -18.0735 -17.9523 -17.9523 -17.9368 -17.9368 -17.8156 -17.8156 -17.7896 -17.7896 0.8912 0.8912 5.1493 5.1493 5.9362 5.9362 6.1450 6.1450 6.1895 6.1895 8.3862 8.3862 8.5656 8.5656 8.6860 8.6860 10.9686 10.9686 11.0415 11.0415 11.0601 11.0601 11.1880 11.1880 k = 0.3400 0.5000 0.3400 ( 3724 PWs) bands (ev): -39.4906 -39.4906 -39.4835 -39.4835 -39.4764 -39.4764 -18.5854 -18.5854 -18.5361 -18.5361 -18.5223 -18.5223 -18.1485 -18.1485 -18.0736 -18.0736 -17.9551 -17.9551 -17.9378 -17.9378 -17.8198 -17.8198 -17.7909 -17.7909 0.8520 0.8520 5.1245 5.1245 5.9647 5.9647 6.1838 6.1838 6.2401 6.2401 8.3569 8.3569 8.5656 8.5656 8.6900 8.6900 10.9659 10.9659 11.0623 11.0623 11.0965 11.0965 11.1645 11.1645 k = 0.3300 0.5000 0.3300 ( 3726 PWs) bands (ev): -39.4915 -39.4915 -39.4835 -39.4835 -39.4756 -39.4756 -18.5823 -18.5823 -18.5351 -18.5351 -18.5193 -18.5193 -18.1455 -18.1455 -18.0737 -18.0737 -17.9581 -17.9581 -17.9389 -17.9389 -17.8242 -17.8242 -17.7922 -17.7922 0.8117 0.8117 5.0974 5.0974 5.9961 5.9961 6.2233 6.2233 6.2932 6.2932 8.3274 8.3274 8.5678 8.5678 8.6946 8.6946 10.9569 10.9569 11.0810 11.0810 11.1324 11.1324 11.1415 11.1415 k = 0.3200 0.5000 0.3200 ( 3730 PWs) bands (ev): -39.4923 -39.4923 -39.4836 -39.4836 -39.4748 -39.4748 -18.5793 -18.5793 -18.5340 -18.5340 -18.5161 -18.5161 -18.1424 -18.1424 -18.0737 -18.0737 -17.9612 -17.9612 -17.9400 -17.9400 -17.8286 -17.8286 -17.7936 -17.7936 0.7707 0.7707 5.0682 5.0682 6.0303 6.0303 6.2630 6.2630 6.3488 6.3488 8.2980 8.2980 8.5721 8.5721 8.6997 8.6997 10.9423 10.9423 11.0978 11.0978 11.1104 11.1104 11.1762 11.1762 k = 0.3100 0.5000 0.3100 ( 3734 PWs) bands (ev): -39.4932 -39.4932 -39.4836 -39.4836 -39.4739 -39.4739 -18.5765 -18.5765 -18.5328 -18.5328 -18.5126 -18.5126 -18.1392 -18.1392 -18.0737 -18.0737 -17.9642 -17.9642 -17.9412 -17.9412 -17.8330 -17.8330 -17.7950 -17.7950 0.7291 0.7291 5.0373 5.0373 6.0671 6.0671 6.3029 6.3029 6.4066 6.4066 8.2690 8.2690 8.5787 8.5787 8.7054 8.7054 10.9228 10.9228 11.0802 11.0802 11.1134 11.1134 11.2178 11.2178 k = 0.3000 0.5000 0.3000 ( 3734 PWs) bands (ev): -39.4941 -39.4941 -39.4836 -39.4836 -39.4730 -39.4730 -18.5739 -18.5739 -18.5315 -18.5315 -18.5091 -18.5091 -18.1359 -18.1359 -18.0737 -18.0737 -17.9673 -17.9673 -17.9424 -17.9424 -17.8375 -17.8375 -17.7965 -17.7965 0.6871 0.6871 5.0047 5.0047 6.1063 6.1063 6.3427 6.3427 6.4665 6.4665 8.2405 8.2405 8.5875 8.5875 8.7118 8.7118 10.8992 10.8992 11.0485 11.0485 11.1268 11.1268 11.2609 11.2609 k = 0.2900 0.5000 0.2900 ( 3730 PWs) bands (ev): -39.4951 -39.4951 -39.4836 -39.4836 -39.4721 -39.4721 -18.5714 -18.5714 -18.5302 -18.5302 -18.5053 -18.5053 -18.1326 -18.1326 -18.0735 -18.0735 -17.9703 -17.9703 -17.9437 -17.9437 -17.8420 -17.8420 -17.7979 -17.7979 0.6448 0.6448 4.9709 4.9709 6.1477 6.1477 6.3822 6.3822 6.5285 6.5285 8.2128 8.2128 8.5985 8.5985 8.7189 8.7189 10.8720 10.8720 11.0149 11.0149 11.1385 11.1385 11.3052 11.3052 k = 0.2800 0.5000 0.2800 ( 3734 PWs) bands (ev): -39.4960 -39.4960 -39.4836 -39.4836 -39.4712 -39.4712 -18.5692 -18.5692 -18.5288 -18.5288 -18.5015 -18.5015 -18.1293 -18.1293 -18.0733 -18.0733 -17.9733 -17.9733 -17.9451 -17.9451 -17.8465 -17.8465 -17.7994 -17.7994 0.6024 0.6024 4.9360 4.9360 6.1912 6.1912 6.4210 6.4210 6.5923 6.5923 8.1859 8.1859 8.6115 8.6115 8.7265 8.7265 10.8417 10.8417 10.9797 10.9797 11.1488 11.1488 11.3349 11.3466 k = 0.2700 0.5000 0.2700 ( 3732 PWs) bands (ev): -39.4970 -39.4970 -39.4836 -39.4836 -39.4703 -39.4703 -18.5671 -18.5671 -18.5274 -18.5274 -18.4976 -18.4976 -18.1260 -18.1260 -18.0731 -18.0731 -17.9762 -17.9762 -17.9465 -17.9465 -17.8510 -17.8510 -17.8009 -17.8009 0.5602 0.5602 4.9003 4.9003 6.2366 6.2366 6.4589 6.4589 6.6577 6.6577 8.1601 8.1601 8.6265 8.6265 8.7350 8.7350 10.8089 10.8089 10.9430 10.9430 11.1576 11.1576 11.3459 11.3460 k = 0.2600 0.5000 0.2600 ( 3730 PWs) bands (ev): -39.4979 -39.4979 -39.4837 -39.4837 -39.4693 -39.4693 -18.5653 -18.5653 -18.5259 -18.5259 -18.4937 -18.4937 -18.1227 -18.1227 -18.0727 -18.0727 -17.9789 -17.9789 -17.9479 -17.9479 -17.8554 -17.8554 -17.8024 -17.8024 0.5182 0.5182 4.8641 4.8641 6.2835 6.2835 6.4958 6.4958 6.7245 6.7245 8.1358 8.1358 8.6433 8.6433 8.7441 8.7441 10.7737 10.7737 10.9051 10.9051 11.1651 11.1651 11.3555 11.3557 k = 0.2500 0.5000 0.2500 ( 3738 PWs) bands (ev): -39.4989 -39.4989 -39.4837 -39.4837 -39.4684 -39.4684 -18.5638 -18.5638 -18.5243 -18.5243 -18.4898 -18.4898 -18.1196 -18.1196 -18.0722 -18.0722 -17.9815 -17.9815 -17.9494 -17.9494 -17.8598 -17.8598 -17.8038 -17.8038 0.4766 0.4766 4.8274 4.8274 6.3320 6.3320 6.5312 6.5312 6.7925 6.7925 8.1127 8.1127 8.6616 8.6616 8.7539 8.7539 10.7364 10.7364 10.8660 10.8660 11.1715 11.1715 11.3637 11.3637 k = 0.2400 0.5000 0.2400 ( 3738 PWs) bands (ev): -39.4999 -39.4999 -39.4837 -39.4837 -39.4674 -39.4674 -18.5625 -18.5625 -18.5227 -18.5227 -18.4858 -18.4858 -18.1166 -18.1166 -18.0716 -18.0716 -17.9838 -17.9838 -17.9510 -17.9510 -17.8642 -17.8642 -17.8053 -17.8053 0.4355 0.4355 4.7907 4.7907 6.3817 6.3817 6.5652 6.5652 6.8616 6.8616 8.0914 8.0914 8.6816 8.6816 8.7645 8.7645 10.6975 10.6975 10.8260 10.8260 11.1772 11.1772 11.3707 11.3707 k = 0.2300 0.5000 0.2300 ( 3738 PWs) bands (ev): -39.5009 -39.5009 -39.4837 -39.4837 -39.4665 -39.4665 -18.5614 -18.5614 -18.5210 -18.5210 -18.4819 -18.4819 -18.1138 -18.1138 -18.0708 -18.0708 -17.9859 -17.9859 -17.9526 -17.9526 -17.8685 -17.8685 -17.8067 -17.8067 0.3951 0.3951 4.7542 4.7542 6.4324 6.4324 6.5975 6.5975 6.9314 6.9314 8.0719 8.0719 8.7029 8.7029 8.7757 8.7757 10.6571 10.6571 10.7851 10.7851 11.1822 11.1822 11.3764 11.3764 k = 0.2200 0.5000 0.2200 ( 3738 PWs) bands (ev): -39.5018 -39.5018 -39.4837 -39.4837 -39.4656 -39.4656 -18.5605 -18.5605 -18.5192 -18.5192 -18.4781 -18.4781 -18.1112 -18.1112 -18.0698 -18.0698 -17.9877 -17.9877 -17.9543 -17.9543 -17.8728 -17.8728 -17.8081 -17.8081 0.3555 0.3555 4.7178 4.7178 6.4840 6.4840 6.6279 6.6279 7.0018 7.0018 8.0544 8.0544 8.7252 8.7252 8.7877 8.7877 10.6154 10.6154 10.7437 10.7437 11.1868 11.1868 11.3810 11.3810 k = 0.2100 0.5000 0.2100 ( 3746 PWs) bands (ev): -39.5028 -39.5028 -39.4837 -39.4837 -39.4646 -39.4646 -18.5599 -18.5599 -18.5174 -18.5174 -18.4745 -18.4745 -18.1089 -18.1089 -18.0687 -18.0687 -17.9892 -17.9892 -17.9560 -17.9560 -17.8770 -17.8770 -17.8094 -17.8094 0.3169 0.3169 4.6819 4.6819 6.5362 6.5362 6.6562 6.6562 7.0725 7.0725 8.0390 8.0390 8.7484 8.7484 8.8004 8.8004 10.5727 10.5727 10.7019 10.7019 11.1912 11.1912 11.3846 11.3846 k = 0.2000 0.5000 0.2000 ( 3752 PWs) bands (ev): -39.5037 -39.5037 -39.4838 -39.4838 -39.4637 -39.4637 -18.5595 -18.5595 -18.5156 -18.5156 -18.4709 -18.4709 -18.1069 -18.1069 -18.0674 -18.0674 -17.9903 -17.9903 -17.9577 -17.9577 -17.8811 -17.8811 -17.8107 -17.8107 0.2793 0.2793 4.6467 4.6467 6.5888 6.5888 6.6823 6.6823 7.1431 7.1431 8.0258 8.0258 8.7722 8.7722 8.8137 8.8137 10.5294 10.5294 10.6599 10.6599 11.1957 11.1957 11.3873 11.3873 k = 0.1900 0.5000 0.1900 ( 3748 PWs) bands (ev): -39.5046 -39.5046 -39.4838 -39.4838 -39.4629 -39.4629 -18.5592 -18.5592 -18.5138 -18.5138 -18.4675 -18.4675 -18.1052 -18.1052 -18.0658 -18.0658 -17.9911 -17.9911 -17.9595 -17.9595 -17.8852 -17.8852 -17.8119 -17.8119 0.2428 0.2428 4.6123 4.6123 6.6416 6.6416 6.7061 6.7061 7.2136 7.2136 8.0150 8.0150 8.7964 8.7964 8.8277 8.8277 10.4856 10.4856 10.6177 10.6177 11.2007 11.2007 11.3892 11.3892 k = 0.1800 0.5000 0.1800 ( 3746 PWs) bands (ev): -39.5055 -39.5055 -39.4838 -39.4838 -39.4620 -39.4620 -18.5590 -18.5590 -18.5119 -18.5119 -18.4643 -18.4643 -18.1038 -18.1038 -18.0641 -18.0641 -17.9916 -17.9916 -17.9613 -17.9613 -17.8892 -17.8892 -17.8130 -17.8130 0.2076 0.2076 4.5788 4.5788 6.6943 6.6943 6.7276 6.7276 7.2835 7.2835 8.0064 8.0064 8.8206 8.8206 8.8424 8.8424 10.4416 10.4416 10.5758 10.5758 11.2062 11.2062 11.3905 11.3905 k = 0.1700 0.5000 0.1700 ( 3746 PWs) bands (ev): -39.5064 -39.5064 -39.4838 -39.4838 -39.4611 -39.4611 -18.5591 -18.5591 -18.5101 -18.5101 -18.4612 -18.4612 -18.1027 -18.1027 -18.0622 -18.0622 -17.9918 -17.9918 -17.9630 -17.9630 -17.8931 -17.8931 -17.8141 -17.8141 0.1738 0.1738 4.5464 4.5464 6.7463 6.7463 6.7471 6.7471 7.3525 7.3525 8.0002 8.0002 8.8445 8.8445 8.8578 8.8578 10.3977 10.3977 10.5341 10.5341 11.2125 11.2125 11.3913 11.3913 k = 0.1600 0.5000 0.1600 ( 3746 PWs) bands (ev): -39.5072 -39.5072 -39.4838 -39.4838 -39.4603 -39.4603 -18.5592 -18.5592 -18.5082 -18.5082 -18.4584 -18.4584 -18.1019 -18.1019 -18.0601 -18.0601 -17.9918 -17.9918 -17.9648 -17.9648 -17.8969 -17.8969 -17.8150 -17.8150 0.1414 0.1414 4.5153 4.5153 6.7634 6.7634 6.7985 6.7985 7.4203 7.4203 7.9962 7.9962 8.8672 8.8672 8.8745 8.8745 10.3542 10.3542 10.4929 10.4929 11.2199 11.2199 11.3916 11.3916 k = 0.1500 0.5000 0.1500 ( 3734 PWs) bands (ev): -39.5080 -39.5080 -39.4838 -39.4838 -39.4595 -39.4595 -18.5595 -18.5595 -18.5064 -18.5064 -18.4557 -18.4557 -18.1013 -18.1013 -18.0578 -18.0578 -17.9915 -17.9915 -17.9664 -17.9664 -17.9007 -17.9007 -17.8159 -17.8159 0.1106 0.1106 4.4854 4.4854 6.7778 6.7778 6.8495 6.8495 7.4866 7.4866 7.9944 7.9944 8.8867 8.8867 8.8942 8.8942 10.3114 10.3114 10.4524 10.4524 11.2285 11.2285 11.3916 11.3916 k = 0.1400 0.5000 0.1400 ( 3738 PWs) bands (ev): -39.5088 -39.5088 -39.4839 -39.4839 -39.4588 -39.4588 -18.5599 -18.5599 -18.5046 -18.5046 -18.4532 -18.4532 -18.1010 -18.1010 -18.0555 -18.0555 -17.9912 -17.9912 -17.9679 -17.9679 -17.9044 -17.9044 -17.8167 -17.8167 0.0814 0.0814 4.4571 4.4571 6.7900 6.7900 6.8992 6.8992 7.5510 7.5510 7.9945 7.9945 8.9037 8.9037 8.9157 8.9157 10.2696 10.2696 10.4127 10.4127 11.2385 11.2385 11.3913 11.3913 k = 0.1300 0.5000 0.1300 ( 3738 PWs) bands (ev): -39.5095 -39.5095 -39.4839 -39.4839 -39.4581 -39.4581 -18.5603 -18.5603 -18.5029 -18.5029 -18.4510 -18.4510 -18.1008 -18.1008 -18.0531 -18.0531 -17.9909 -17.9909 -17.9692 -17.9692 -17.9080 -17.9080 -17.8173 -17.8173 0.0538 0.0538 4.4302 4.4302 6.8002 6.8002 6.9476 6.9476 7.6131 7.6131 7.9965 7.9965 8.9204 8.9204 8.9367 8.9367 10.2289 10.2289 10.3741 10.3741 11.2500 11.2500 11.3909 11.3909 k = 0.1200 0.5000 0.1200 ( 3738 PWs) bands (ev): -39.5102 -39.5102 -39.4839 -39.4839 -39.4574 -39.4574 -18.5609 -18.5609 -18.5013 -18.5013 -18.4489 -18.4489 -18.1007 -18.1007 -18.0506 -18.0506 -17.9907 -17.9907 -17.9701 -17.9701 -17.9115 -17.9115 -17.8179 -17.8179 0.0280 0.0280 4.4050 4.4050 6.8085 6.8085 6.9941 6.9941 7.6727 7.6727 8.0001 8.0001 8.9369 8.9369 8.9565 8.9565 10.1898 10.1898 10.3369 10.3369 11.2630 11.2630 11.3902 11.3902 k = 0.1100 0.5000 0.1100 ( 3738 PWs) bands (ev): -39.5108 -39.5108 -39.4839 -39.4839 -39.4568 -39.4568 -18.5614 -18.5614 -18.4997 -18.4997 -18.4471 -18.4471 -18.1007 -18.1007 -18.0480 -18.0480 -17.9910 -17.9910 -17.9705 -17.9705 -17.9150 -17.9150 -17.8185 -17.8185 0.0041 0.0041 4.3815 4.3815 6.8150 6.8150 7.0386 7.0386 7.7294 7.7294 8.0050 8.0050 8.9533 8.9533 8.9750 8.9750 10.1525 10.1525 10.3011 10.3011 11.2776 11.2776 11.3894 11.3894 k = 0.1000 0.5000 0.1000 ( 3726 PWs) bands (ev): -39.5114 -39.5114 -39.4839 -39.4839 -39.4562 -39.4562 -18.5620 -18.5620 -18.4982 -18.4982 -18.4454 -18.4454 -18.1008 -18.1008 -18.0453 -18.0453 -17.9917 -17.9917 -17.9703 -17.9703 -17.9183 -17.9183 -17.8188 -17.8188 -0.0180 -0.0180 4.3599 4.3599 6.8202 6.8202 7.0807 7.0807 7.7827 7.7827 8.0110 8.0110 8.9694 8.9694 8.9920 8.9920 10.1172 10.1172 10.2671 10.2671 11.2937 11.2937 11.3886 11.3886 k = 0.0900 0.5000 0.0900 ( 3738 PWs) bands (ev): -39.5120 -39.5120 -39.4839 -39.4839 -39.4557 -39.4557 -18.5626 -18.5626 -18.4968 -18.4968 -18.4440 -18.4440 -18.1009 -18.1009 -18.0426 -18.0426 -17.9929 -17.9929 -17.9696 -17.9696 -17.9216 -17.9216 -17.8192 -17.8192 -0.0381 -0.0381 4.3401 4.3401 6.8239 6.8239 7.1201 7.1201 7.8322 7.8322 8.0176 8.0176 8.9849 8.9849 9.0072 9.0072 10.0842 10.0842 10.2350 10.2350 11.3109 11.3109 11.3878 11.3878 k = 0.0800 0.5000 0.0800 ( 3736 PWs) bands (ev): -39.5125 -39.5125 -39.4839 -39.4839 -39.4552 -39.4552 -18.5632 -18.5632 -18.4956 -18.4956 -18.4427 -18.4427 -18.1011 -18.1011 -18.0399 -18.0399 -17.9946 -17.9946 -17.9684 -17.9684 -17.9249 -17.9249 -17.8195 -17.8195 -0.0563 -0.0563 4.3222 4.3222 6.8267 6.8267 7.1564 7.1564 7.8776 7.8776 8.0248 8.0248 8.9997 8.9997 9.0208 9.0208 10.0539 10.0539 10.2053 10.2053 11.3291 11.3291 11.3869 11.3869 k = 0.0700 0.5000 0.0700 ( 3736 PWs) bands (ev): -39.5129 -39.5129 -39.4839 -39.4839 -39.4548 -39.4548 -18.5638 -18.5638 -18.4944 -18.4944 -18.4416 -18.4416 -18.1013 -18.1013 -18.0371 -18.0371 -17.9965 -17.9965 -17.9668 -17.9668 -17.9280 -17.9280 -17.8197 -17.8197 -0.0724 -0.0724 4.3063 4.3063 6.8286 6.8286 7.1894 7.1894 7.9186 7.9186 8.0320 8.0320 9.0135 9.0135 9.0328 9.0328 10.0265 10.0265 10.1780 10.1780 11.3478 11.3478 11.3861 11.3861 k = 0.0600 0.5000 0.0600 ( 3732 PWs) bands (ev): -39.5133 -39.5133 -39.4839 -39.4839 -39.4544 -39.4544 -18.5643 -18.5643 -18.4934 -18.4934 -18.4406 -18.4406 -18.1014 -18.1014 -18.0343 -18.0343 -17.9987 -17.9987 -17.9649 -17.9649 -17.9311 -17.9311 -17.8198 -17.8198 -0.0864 -0.0864 4.2924 4.2924 6.8299 6.8299 7.2187 7.2187 7.9548 7.9548 8.0392 8.0392 9.0261 9.0261 9.0432 9.0432 10.0021 10.0021 10.1536 10.1536 11.3662 11.3662 11.3855 11.3855 k = 0.0500 0.5000 0.0500 ( 3740 PWs) bands (ev): -39.5136 -39.5136 -39.4839 -39.4839 -39.4541 -39.4541 -18.5648 -18.5648 -18.4925 -18.4925 -18.4399 -18.4399 -18.1016 -18.1016 -18.0315 -18.0315 -18.0012 -18.0012 -17.9628 -17.9628 -17.9341 -17.9341 -17.8200 -17.8200 -0.0984 -0.0984 4.2806 4.2806 6.8306 6.8306 7.2441 7.2441 7.9856 7.9856 8.0460 8.0460 9.0371 9.0371 9.0520 9.0520 9.9811 9.9811 10.1323 10.1323 11.3816 11.3816 11.3872 11.3872 k = 0.0400 0.5000 0.0400 ( 3740 PWs) bands (ev): -39.5139 -39.5139 -39.4839 -39.4839 -39.4538 -39.4538 -18.5652 -18.5652 -18.4918 -18.4918 -18.4393 -18.4393 -18.1017 -18.1017 -18.0287 -18.0287 -18.0037 -18.0037 -17.9606 -17.9606 -17.9369 -17.9369 -17.8201 -17.8201 -0.1082 -0.1082 4.2709 4.2709 6.8311 6.8311 7.2652 7.2652 8.0108 8.0108 8.0524 8.0524 9.0463 9.0463 9.0593 9.0593 9.9635 9.9635 10.1144 10.1144 11.3834 11.3834 11.4012 11.4012 k = 0.0300 0.5000 0.0300 ( 3732 PWs) bands (ev): -39.5141 -39.5141 -39.4840 -39.4840 -39.4536 -39.4536 -18.5654 -18.5654 -18.4912 -18.4912 -18.4388 -18.4388 -18.1018 -18.1018 -18.0259 -18.0259 -18.0061 -18.0061 -17.9584 -17.9584 -17.9396 -17.9396 -17.8201 -17.8201 -0.1157 -0.1157 4.2634 4.2634 6.8313 6.8313 7.2819 7.2819 8.0297 8.0297 8.0587 8.0587 9.0535 9.0535 9.0653 9.0653 9.9497 9.9497 10.1002 10.1002 11.3831 11.3831 11.4150 11.4150 k = 0.0200 0.5000 0.0200 ( 3752 PWs) bands (ev): -39.5142 -39.5142 -39.4840 -39.4840 -39.4534 -39.4534 -18.5657 -18.5657 -18.4908 -18.4908 -18.4386 -18.4386 -18.1019 -18.1019 -18.0234 -18.0234 -18.0086 -18.0086 -17.9563 -17.9563 -17.9422 -17.9422 -17.8203 -17.8203 -0.1213 -0.1213 4.2579 4.2579 6.8314 6.8314 7.2940 7.2940 8.0420 8.0420 8.0646 8.0646 9.0585 9.0585 9.0698 9.0698 9.9396 9.9396 10.0898 10.0898 11.3827 11.3827 11.4256 11.4256 k = 0.0100 0.5000 0.0100 ( 3764 PWs) bands (ev): -39.5143 -39.5143 -39.4840 -39.4840 -39.4533 -39.4533 -18.5658 -18.5658 -18.4906 -18.4906 -18.4384 -18.4384 -18.1019 -18.1019 -18.0213 -18.0213 -18.0106 -18.0106 -17.9546 -17.9546 -17.9442 -17.9442 -17.8204 -17.8204 -0.1246 -0.1246 4.2546 4.2546 6.8314 6.8314 7.3012 7.3012 8.0483 8.0483 8.0692 8.0692 9.0613 9.0613 9.0726 9.0726 9.9334 9.9334 10.0835 10.0835 11.3825 11.3825 11.4323 11.4323 k = 0.0000 0.5000-0.0000 ( 3764 PWs) bands (ev): -39.5144 -39.5144 -39.4840 -39.4840 -39.4533 -39.4533 -18.5659 -18.5659 -18.4905 -18.4905 -18.4384 -18.4384 -18.1020 -18.1020 -18.0204 -18.0204 -18.0115 -18.0115 -17.9538 -17.9538 -17.9450 -17.9450 -17.8204 -17.8204 -0.1257 -0.1257 4.2536 4.2536 6.8314 6.8314 7.3037 7.3037 8.0502 8.0502 8.0710 8.0710 9.0623 9.0623 9.0735 9.0735 9.9314 9.9314 10.0814 10.0814 11.3825 11.3825 11.4346 11.4346 k = 0.5000 0.5000-0.0000 ( 3724 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5305 -18.5305 -18.5248 -18.5248 -18.4921 -18.4921 -18.0831 -18.0831 -18.0713 -18.0713 -18.0192 -18.0192 -17.9436 -17.9436 -17.9098 -17.9098 -17.7939 -17.7939 0.5346 0.5346 5.2508 5.2508 5.8002 5.8002 5.8074 5.8074 7.5852 7.5852 8.3013 8.3013 8.3031 8.3031 8.9946 8.9946 10.8877 10.8877 10.8957 10.8957 11.2532 11.2532 11.2697 11.2697 k = 0.5000 0.5000 0.0139 ( 3708 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5305 -18.5305 -18.5250 -18.5250 -18.4921 -18.4921 -18.0835 -18.0835 -18.0713 -18.0713 -18.0187 -18.0187 -17.9436 -17.9436 -17.9093 -17.9093 -17.7938 -17.7938 0.5357 0.5357 5.2509 5.2509 5.8003 5.8003 5.8075 5.8075 7.5815 7.5815 8.3014 8.3014 8.3032 8.3032 8.9940 8.9940 10.8887 10.8887 10.8968 10.8968 11.2532 11.2532 11.2697 11.2697 k = 0.5000 0.5000 0.0278 ( 3708 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5305 -18.5305 -18.5255 -18.5255 -18.4925 -18.4925 -18.0848 -18.0848 -18.0714 -18.0714 -18.0174 -18.0174 -17.9438 -17.9438 -17.9082 -17.9082 -17.7938 -17.7938 0.5389 0.5389 5.2509 5.2509 5.8006 5.8006 5.8077 5.8077 7.5704 7.5704 8.3017 8.3017 8.3035 8.3035 8.9918 8.9918 10.8918 10.8918 10.8998 10.8998 11.2530 11.2530 11.2696 11.2696 k = 0.5000 0.5000 0.0417 ( 3708 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5307 -18.5307 -18.5265 -18.5265 -18.4931 -18.4931 -18.0869 -18.0869 -18.0716 -18.0716 -18.0154 -18.0154 -17.9440 -17.9440 -17.9063 -17.9063 -17.7936 -17.7936 0.5443 0.5443 5.2511 5.2511 5.8011 5.8011 5.8082 5.8082 7.5521 7.5521 8.3021 8.3021 8.3040 8.3040 8.9882 8.9882 10.8967 10.8967 10.9047 10.9047 11.2528 11.2528 11.2694 11.2694 k = 0.5000 0.5000 0.0556 ( 3720 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5309 -18.5309 -18.5278 -18.5278 -18.4940 -18.4940 -18.0896 -18.0896 -18.0718 -18.0718 -18.0127 -18.0127 -17.9443 -17.9443 -17.9037 -17.9037 -17.7935 -17.7935 0.5517 0.5517 5.2512 5.2512 5.8017 5.8017 5.8087 5.8087 7.5266 7.5266 8.3028 8.3028 8.3048 8.3048 8.9832 8.9832 10.9035 10.9035 10.9115 10.9115 11.2525 11.2525 11.2691 11.2691 k = 0.5000 0.5000 0.0694 ( 3728 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5311 -18.5311 -18.5295 -18.5295 -18.4951 -18.4951 -18.0928 -18.0928 -18.0721 -18.0721 -18.0095 -18.0095 -17.9445 -17.9445 -17.9007 -17.9007 -17.7933 -17.7933 0.5613 0.5613 5.2515 5.2515 5.8025 5.8025 5.8094 5.8094 7.4945 7.4945 8.3038 8.3038 8.3059 8.3059 8.9769 8.9769 10.9119 10.9119 10.9199 10.9199 11.2520 11.2520 11.2686 11.2686 k = 0.5000 0.5000 0.0833 ( 3712 PWs) bands (ev): -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -39.4837 -18.5315 -18.5315 -18.5314 -18.5314 -18.4963 -18.4963 -18.0962 -18.0962 -18.0723 -18.0723 -18.0060 -18.0060 -17.9446 -17.9446 -17.8970 -17.8970 -17.7931 -17.7931 0.5729 0.5729 5.2517 5.2517 5.8035 5.8035 5.8102 5.8102 7.4561 7.4561 8.3053 8.3053 8.3076 8.3076 8.9696 8.9696 10.9220 10.9220 10.9299 10.9299 11.2513 11.2513 11.2680 11.2680 k = 0.5000 0.5000 0.0972 ( 3720 PWs) bands (ev): -39.4837 -39.4837 -39.4836 -39.4836 -39.4836 -39.4836 -18.5338 -18.5338 -18.5317 -18.5317 -18.4978 -18.4978 -18.1000 -18.1000 -18.0726 -18.0726 -18.0023 -18.0023 -17.9447 -17.9447 -17.8930 -17.8930 -17.7928 -17.7928 0.5865 0.5865 5.2520 5.2520 5.8045 5.8045 5.8110 5.8110 7.4115 7.4115 8.3073 8.3073 8.3098 8.3098 8.9609 8.9609 10.9333 10.9333 10.9411 10.9411 11.2504 11.2504 11.2671 11.2672 k = 0.5000 0.5000 0.1111 ( 3720 PWs) bands (ev): -39.4837 -39.4837 -39.4836 -39.4836 -39.4836 -39.4836 -18.5365 -18.5365 -18.5321 -18.5321 -18.4994 -18.4994 -18.1039 -18.1039 -18.0729 -18.0729 -17.9984 -17.9984 -17.9446 -17.9446 -17.8885 -17.8885 -17.7924 -17.7924 0.6020 0.6020 5.2524 5.2524 5.8056 5.8056 5.8120 5.8120 7.3615 7.3615 8.3099 8.3099 8.3126 8.3126 8.9511 8.9511 10.9456 10.9456 10.9534 10.9534 11.2492 11.2492 11.2660 11.2660 k = 0.5000 0.5000 0.1250 ( 3728 PWs) bands (ev): -39.4837 -39.4837 -39.4836 -39.4836 -39.4836 -39.4836 -18.5394 -18.5394 -18.5325 -18.5325 -18.5012 -18.5012 -18.1079 -18.1079 -18.0731 -18.0731 -17.9944 -17.9944 -17.9445 -17.9445 -17.8838 -17.8838 -17.7921 -17.7921 0.6194 0.6194 5.2528 5.2528 5.8067 5.8067 5.8129 5.8129 7.3065 7.3065 8.3132 8.3132 8.3161 8.3161 8.9403 8.9403 10.9587 10.9587 10.9665 10.9665 11.2477 11.2479 11.2633 11.2641 k = 0.5000 0.5000 0.1389 ( 3720 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5426 -18.5426 -18.5329 -18.5329 -18.5031 -18.5031 -18.1119 -18.1119 -18.0734 -18.0734 -17.9903 -17.9903 -17.9443 -17.9443 -17.8788 -17.8788 -17.7917 -17.7917 0.6387 0.6387 5.2532 5.2532 5.8079 5.8079 5.8138 5.8138 7.2471 7.2471 8.3175 8.3175 8.3207 8.3207 8.9288 8.9288 10.9723 10.9723 10.9800 10.9800 11.2458 11.2463 11.2476 11.2486 k = 0.5000 0.5000 0.1528 ( 3720 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5460 -18.5460 -18.5334 -18.5334 -18.5051 -18.5051 -18.1159 -18.1159 -18.0736 -18.0736 -17.9863 -17.9863 -17.9440 -17.9440 -17.8736 -17.8736 -17.7912 -17.7912 0.6596 0.6596 5.2536 5.2536 5.8090 5.8090 5.8147 5.8147 7.1835 7.1835 8.3226 8.3226 8.3261 8.3261 8.9165 8.9165 10.9859 10.9859 10.9936 10.9936 11.2300 11.2301 11.2437 11.2448 k = 0.5000 0.5000 0.1667 ( 3748 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5498 -18.5498 -18.5340 -18.5340 -18.5073 -18.5073 -18.1200 -18.1200 -18.0738 -18.0738 -17.9823 -17.9823 -17.9436 -17.9436 -17.8683 -17.8683 -17.7908 -17.7908 0.6820 0.6820 5.2540 5.2540 5.8100 5.8100 5.8154 5.8154 7.1164 7.1164 8.3288 8.3288 8.3326 8.3326 8.9034 8.9034 10.9991 10.9991 11.0067 11.0067 11.2105 11.2105 11.2412 11.2414 k = 0.5000 0.5000 0.1806 ( 3732 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5535 -18.5535 -18.5345 -18.5345 -18.5095 -18.5095 -18.1240 -18.1240 -18.0739 -18.0739 -17.9783 -17.9783 -17.9431 -17.9431 -17.8628 -17.8628 -17.7902 -17.7902 0.7060 0.7060 5.2545 5.2545 5.8110 5.8110 5.8161 5.8161 7.0465 7.0465 8.3362 8.3362 8.3404 8.3404 8.8899 8.8899 11.0115 11.0115 11.0193 11.0193 11.1892 11.1892 11.2386 11.2389 k = 0.5000 0.5000 0.1944 ( 3732 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5575 -18.5575 -18.5351 -18.5351 -18.5117 -18.5117 -18.1279 -18.1279 -18.0740 -18.0740 -17.9744 -17.9744 -17.9425 -17.9425 -17.8572 -17.8572 -17.7897 -17.7897 0.7314 0.7314 5.2550 5.2550 5.8118 5.8118 5.8167 5.8167 6.9743 6.9743 8.3449 8.3449 8.3493 8.3493 8.8759 8.8759 11.0225 11.0225 11.0304 11.0304 11.1664 11.1664 11.2359 11.2365 k = 0.5000 0.5000 0.2083 ( 3732 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5615 -18.5615 -18.5356 -18.5356 -18.5139 -18.5139 -18.1317 -18.1317 -18.0740 -18.0740 -17.9706 -17.9706 -17.9418 -17.9418 -17.8516 -17.8516 -17.7891 -17.7891 0.7580 0.7580 5.2555 5.2555 5.8125 5.8125 5.8171 5.8171 6.9003 6.9003 8.3548 8.3548 8.3596 8.3596 8.8617 8.8617 11.0315 11.0315 11.0397 11.0397 11.1424 11.1424 11.2337 11.2340 k = 0.5000 0.5000 0.2222 ( 3728 PWs) bands (ev): -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -39.4836 -18.5657 -18.5657 -18.5362 -18.5362 -18.5162 -18.5162 -18.1353 -18.1353 -18.0740 -18.0740 -17.9669 -17.9669 -17.9411 -17.9411 -17.8460 -17.8460 -17.7885 -17.7885 0.7856 0.7856 5.2561 5.2561 5.8131 5.8131 5.8174 5.8174 6.8251 6.8251 8.3660 8.3660 8.3712 8.3712 8.8474 8.8474 11.0376 11.0376 11.0463 11.0463 11.1174 11.1174 11.2322 11.2323 k = 0.5000 0.5000 0.2361 ( 3728 PWs) bands (ev): -39.4836 -39.4836 -39.4835 -39.4835 -39.4835 -39.4835 -18.5698 -18.5698 -18.5368 -18.5368 -18.5185 -18.5185 -18.1389 -18.1389 -18.0740 -18.0740 -17.9634 -17.9634 -17.9404 -17.9404 -17.8405 -17.8405 -17.7879 -17.7879 0.8142 0.8142 5.2566 5.2566 5.8135 5.8135 5.8175 5.8175 6.7491 6.7491 8.3785 8.3785 8.3841 8.3841 8.8330 8.8330 11.0401 11.0401 11.0498 11.0498 11.0921 11.0921 11.2319 11.2320 k = 0.5000 0.5000 0.2500 ( 3752 PWs) bands (ev): -39.4836 -39.4836 -39.4835 -39.4835 -39.4835 -39.4835 -18.5741 -18.5741 -18.5375 -18.5375 -18.5208 -18.5208 -18.1424 -18.1424 -18.0740 -18.0740 -17.9600 -17.9600 -17.9396 -17.9396 -17.8351 -17.8351 -17.7873 -17.7873 0.8435 0.8435 5.2571 5.2571 5.8137 5.8137 5.8173 5.8173 6.6727 6.6727 8.3924 8.3924 8.3983 8.3983 8.8186 8.8186 11.0376 11.0376 11.0493 11.0493 11.0671 11.0671 11.2332 11.2334 k = 0.5000 0.5000 0.2639 ( 3740 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.5782 -18.5782 -18.5381 -18.5381 -18.5230 -18.5230 -18.1456 -18.1456 -18.0739 -18.0739 -17.9568 -17.9568 -17.9388 -17.9388 -17.8298 -17.8298 -17.7867 -17.7867 0.8733 0.8733 5.2576 5.2576 5.8137 5.8137 5.8171 5.8171 6.5969 6.5969 8.4075 8.4075 8.4138 8.4138 8.8045 8.8045 11.0273 11.0273 11.0449 11.0449 11.0459 11.0459 11.2363 11.2363 k = 0.5000 0.5000 0.2778 ( 3740 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.5823 -18.5823 -18.5388 -18.5388 -18.5252 -18.5252 -18.1488 -18.1488 -18.0738 -18.0738 -17.9537 -17.9537 -17.9380 -17.9380 -17.8246 -17.8246 -17.7860 -17.7860 0.9035 0.9035 5.2581 5.2581 5.8136 5.8136 5.8166 5.8166 6.5218 6.5218 8.4238 8.4238 8.4305 8.4305 8.7906 8.7906 11.0066 11.0066 11.0311 11.0311 11.0362 11.0362 11.2409 11.2412 k = 0.5000 0.5000 0.2917 ( 3732 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.5863 -18.5863 -18.5394 -18.5394 -18.5273 -18.5273 -18.1517 -18.1517 -18.0736 -18.0736 -17.9508 -17.9508 -17.9371 -17.9371 -17.8196 -17.8196 -17.7854 -17.7854 0.9338 0.9338 5.2586 5.2586 5.8133 5.8133 5.8160 5.8160 6.4481 6.4481 8.4412 8.4412 8.4483 8.4483 8.7771 8.7771 10.9822 10.9822 11.0166 11.0166 11.0238 11.0238 11.2470 11.2483 k = 0.5000 0.5000 0.3056 ( 3716 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.5901 -18.5901 -18.5399 -18.5399 -18.5293 -18.5293 -18.1545 -18.1545 -18.0735 -18.0735 -17.9480 -17.9480 -17.9363 -17.9363 -17.8148 -17.8148 -17.7847 -17.7847 0.9640 0.9640 5.2591 5.2591 5.8129 5.8129 5.8153 5.8153 6.3762 6.3762 8.4595 8.4595 8.4670 8.4670 8.7641 8.7641 10.9575 10.9575 10.9999 10.9999 11.0080 11.0080 11.2540 11.2563 k = 0.5000 0.5000 0.3194 ( 3716 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.5938 -18.5938 -18.5405 -18.5405 -18.5313 -18.5313 -18.1571 -18.1571 -18.0733 -18.0733 -17.9454 -17.9454 -17.9355 -17.9355 -17.8102 -17.8102 -17.7841 -17.7841 0.9938 0.9938 5.2596 5.2596 5.8123 5.8123 5.8145 5.8145 6.3066 6.3066 8.4785 8.4785 8.4864 8.4864 8.7515 8.7515 10.9334 10.9334 10.9808 10.9808 10.9894 10.9894 11.2614 11.2615 k = 0.5000 0.5000 0.3333 ( 3716 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.5974 -18.5974 -18.5411 -18.5411 -18.5331 -18.5331 -18.1595 -18.1595 -18.0731 -18.0731 -17.9431 -17.9431 -17.9347 -17.9347 -17.8059 -17.8059 -17.7835 -17.7835 1.0229 1.0229 5.2600 5.2600 5.8115 5.8115 5.8135 5.8135 6.2397 6.2397 8.4980 8.4980 8.5062 8.5062 8.7396 8.7396 10.9102 10.9102 10.9598 10.9598 10.9687 10.9687 11.2691 11.2692 k = 0.5000 0.5000 0.3472 ( 3720 PWs) bands (ev): -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -39.4835 -18.6007 -18.6007 -18.5416 -18.5416 -18.5349 -18.5349 -18.1618 -18.1618 -18.0730 -18.0730 -17.9409 -17.9409 -17.9339 -17.9339 -17.8018 -17.8018 -17.7829 -17.7829 1.0511 1.0511 5.2604 5.2604 5.8107 5.8107 5.8124 5.8124 6.1760 6.1760 8.5177 8.5177 8.5263 8.5263 8.7285 8.7285 10.8881 10.8881 10.9375 10.9375 10.9464 10.9464 11.2768 11.2787 k = 0.5000 0.5000 0.3611 ( 3728 PWs) bands (ev): -39.4835 -39.4835 -39.4834 -39.4834 -39.4834 -39.4834 -18.6039 -18.6039 -18.5422 -18.5422 -18.5366 -18.5366 -18.1639 -18.1639 -18.0728 -18.0728 -17.9389 -17.9389 -17.9332 -17.9332 -17.7980 -17.7980 -17.7823 -17.7823 1.0781 1.0781 5.2607 5.2607 5.8098 5.8098 5.8112 5.8112 6.1160 6.1160 8.5374 8.5374 8.5463 8.5463 8.7180 8.7180 10.8675 10.8675 10.9143 10.9143 10.9232 10.9232 11.2841 11.2841 k = 0.5000 0.5000 0.3750 ( 3720 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6068 -18.6068 -18.5426 -18.5426 -18.5381 -18.5381 -18.1658 -18.1658 -18.0727 -18.0727 -17.9371 -17.9371 -17.9325 -17.9325 -17.7946 -17.7946 -17.7818 -17.7818 1.1038 1.1038 5.2611 5.2611 5.8089 5.8089 5.8101 5.8101 6.0602 6.0602 8.5568 8.5568 8.5660 8.5660 8.7085 8.7085 10.8484 10.8484 10.8910 10.8910 10.8998 10.8998 11.2910 11.2912 k = 0.5000 0.5000 0.3889 ( 3716 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6094 -18.6094 -18.5431 -18.5431 -18.5394 -18.5394 -18.1674 -18.1674 -18.0725 -18.0725 -17.9354 -17.9354 -17.9319 -17.9319 -17.7914 -17.7914 -17.7813 -17.7813 1.1276 1.1276 5.2614 5.2614 5.8080 5.8080 5.8090 5.8090 6.0089 6.0089 8.5755 8.5755 8.5849 8.5849 8.6998 8.6998 10.8309 10.8309 10.8682 10.8682 10.8766 10.8766 11.2975 11.3010 k = 0.5000 0.5000 0.4028 ( 3724 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6118 -18.6118 -18.5435 -18.5435 -18.5407 -18.5407 -18.1689 -18.1689 -18.0724 -18.0724 -17.9340 -17.9340 -17.9313 -17.9313 -17.7887 -17.7887 -17.7808 -17.7808 1.1494 1.1494 5.2617 5.2617 5.8071 5.8071 5.8079 5.8079 5.9625 5.9625 8.5932 8.5932 8.6027 8.6027 8.6921 8.6921 10.8151 10.8151 10.8463 10.8463 10.8544 10.8544 11.3035 11.3078 k = 0.5000 0.5000 0.4167 ( 3728 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6139 -18.6139 -18.5438 -18.5438 -18.5418 -18.5418 -18.1702 -18.1702 -18.0723 -18.0723 -17.9328 -17.9328 -17.9308 -17.9308 -17.7862 -17.7862 -17.7805 -17.7805 1.1690 1.1690 5.2619 5.2619 5.8063 5.8063 5.8069 5.8069 5.9215 5.9215 8.6094 8.6094 8.6190 8.6190 8.6855 8.6855 10.8011 10.8011 10.8262 10.8262 10.8338 10.8338 11.3082 11.3087 k = 0.5000 0.5000 0.4306 ( 3728 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6157 -18.6157 -18.5441 -18.5441 -18.5427 -18.5427 -18.1713 -18.1713 -18.0722 -18.0722 -17.9317 -17.9317 -17.9304 -17.9304 -17.7841 -17.7841 -17.7801 -17.7801 1.1860 1.1860 5.2621 5.2621 5.8055 5.8055 5.8061 5.8061 5.8862 5.8862 8.6239 8.6239 8.6333 8.6333 8.6800 8.6800 10.7888 10.7888 10.8083 10.8083 10.8152 10.8152 11.3126 11.3129 k = 0.5000 0.5000 0.4444 ( 3728 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6172 -18.6172 -18.5444 -18.5444 -18.5435 -18.5435 -18.1723 -18.1723 -18.0721 -18.0721 -17.9309 -17.9309 -17.9300 -17.9300 -17.7824 -17.7824 -17.7798 -17.7798 1.2002 1.2002 5.2623 5.2623 5.8049 5.8049 5.8053 5.8053 5.8569 5.8569 8.6363 8.6363 8.6452 8.6452 8.6760 8.6760 10.7781 10.7781 10.7935 10.7935 10.7992 10.7992 11.3162 11.3164 k = 0.5000 0.5000 0.4583 ( 3720 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6183 -18.6183 -18.5446 -18.5446 -18.5441 -18.5441 -18.1729 -18.1729 -18.0720 -18.0720 -17.9302 -17.9302 -17.9297 -17.9297 -17.7810 -17.7810 -17.7796 -17.7796 1.2115 1.2115 5.2625 5.2625 5.8044 5.8044 5.8048 5.8048 5.8338 5.8338 8.6463 8.6463 8.6537 8.6537 8.6738 8.6738 10.7690 10.7691 10.7822 10.7822 10.7863 10.7863 11.3192 11.3206 k = 0.5000 0.5000 0.4722 ( 3712 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6191 -18.6191 -18.5447 -18.5447 -18.5445 -18.5445 -18.1734 -18.1734 -18.0719 -18.0719 -17.9297 -17.9297 -17.9295 -17.9295 -17.7800 -17.7800 -17.7794 -17.7794 1.2197 1.2197 5.2626 5.2626 5.8040 5.8040 5.8043 5.8043 5.8172 5.8172 8.6537 8.6537 8.6582 8.6582 8.6741 8.6741 10.7618 10.7618 10.7746 10.7746 10.7767 10.7767 11.3214 11.3228 k = 0.5000 0.5000 0.4861 ( 3680 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6196 -18.6196 -18.5447 -18.5447 -18.5447 -18.5447 -18.1737 -18.1737 -18.0718 -18.0718 -17.9293 -17.9293 -17.9293 -17.9293 -17.7794 -17.7794 -17.7792 -17.7792 1.2247 1.2247 5.2627 5.2627 5.8039 5.8039 5.8041 5.8041 5.8073 5.8073 8.6582 8.6582 8.6596 8.6596 8.6758 8.6758 10.7572 10.7572 10.7703 10.7703 10.7710 10.7710 11.3226 11.3232 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -39.4834 -18.6197 -18.6197 -18.5447 -18.5447 -18.5447 -18.5447 -18.1737 -18.1737 -18.0717 -18.0717 -17.9292 -17.9292 -17.9292 -17.9292 -17.7791 -17.7791 -17.7791 -17.7791 1.2264 1.2264 5.2627 5.2627 5.8038 5.8038 5.8042 5.8042 5.8042 5.8042 8.6598 8.6598 8.6598 8.6598 8.6766 8.6766 10.7556 10.7556 10.7691 10.7691 10.7691 10.7691 11.3230 11.3230 Writing output data file Sc3AlC.save init_run : 0.28s CPU 0.70s WALL ( 1 calls) electrons : 284.56s CPU 289.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 284.55s CPU 289.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 275 calls) cegterg : 272.58s CPU 276.47s WALL ( 1143 calls) Called by sum_band: Called by *egterg: h_psi : 119.91s CPU 122.76s WALL ( 22459 calls) s_psi : 8.33s CPU 8.62s WALL ( 22459 calls) g_psi : 0.30s CPU 0.32s WALL ( 21041 calls) cdiaghg : 129.10s CPU 129.22s WALL ( 21316 calls) cegterg:over : 8.26s CPU 8.14s WALL ( 21041 calls) cegterg:upda : 8.01s CPU 8.48s WALL ( 21041 calls) cegterg:last : 2.93s CPU 3.12s WALL ( 2057 calls) cdiaghg:chol : 6.80s CPU 7.00s WALL ( 21316 calls) cdiaghg:inve : 4.74s CPU 4.66s WALL ( 21316 calls) cdiaghg:para : 6.85s CPU 7.11s WALL ( 42632 calls) Called by h_psi: h_psi:vloc : 100.51s CPU 103.44s WALL ( 22459 calls) h_psi:vnl : 19.14s CPU 19.03s WALL ( 22459 calls) add_vuspsi : 9.90s CPU 9.83s WALL ( 22459 calls) General routines calbec : 9.15s CPU 9.14s WALL ( 22459 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.61s CPU 95.60s WALL ( 1218064 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 550 calls) Parallel routines fft_scatter : 33.18s CPU 34.88s WALL ( 1218087 calls) PWSCF : 4m57.01s CPU 5m19.49s WALL This run was terminated on: 16:53:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=