Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48: 8 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: ./Y3AlC.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 61 30 9 2171 756 125 Max 62 31 10 2174 779 130 Sum 2217 1101 333 78205 27633 4553 bravais-lattice index = 14 lattice parameter (alat) = 9.2181 a.u. unit-cell volume = 783.2888 (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 = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.218083 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 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 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 1.00) Y 11.00 88.90590 Y( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039526 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039526 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039526 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039526 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039526 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039526 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039526 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039526 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039526 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039526 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039526 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039526 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039526 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039526 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039526 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039526 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039526 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039526 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039526 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039526 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039526 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039526 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039526 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039526 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039526 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039526 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039526 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039526 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039526 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039526 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039526 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039526 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039526 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039526 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039526 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039526 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039526 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039526 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039526 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039526 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039526 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039526 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039526 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039526 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039526 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039526 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039526 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039526 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039526 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039526 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039526 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039526 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039526 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039526 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039526 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039526 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039526 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039526 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039526 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039526 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039526 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039526 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039526 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039526 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039526 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039526 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039526 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039526 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039526 k( 76) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0039526 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039526 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039526 k( 79) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0039526 k( 80) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0039526 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039526 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039526 k( 83) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0039526 k( 84) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0039526 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039526 k( 86) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0039526 k( 87) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0039526 k( 88) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0039526 k( 89) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0039526 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039526 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039526 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039526 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039526 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039526 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0039526 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039526 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039526 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039526 k( 99) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0039526 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039526 k( 101) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0039526 k( 102) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0039526 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039526 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039526 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0039526 k( 106) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0039526 k( 107) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0039526 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039526 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039526 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039526 k( 111) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0039526 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039526 k( 113) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0039526 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0039526 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 117) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0039526 k( 118) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0039526 k( 119) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0039526 k( 120) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0039526 k( 121) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0039526 k( 122) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0039526 k( 123) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0039526 k( 124) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0039526 k( 125) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0039526 k( 126) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0039526 k( 127) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0039526 k( 128) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0039526 k( 129) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0039526 k( 130) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0039526 k( 131) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0039526 k( 132) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0039526 k( 133) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0039526 k( 134) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0039526 k( 135) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0039526 k( 136) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0039526 k( 137) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0039526 k( 138) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0039526 k( 139) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0039526 k( 140) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0039526 k( 141) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0039526 k( 142) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0039526 k( 143) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0039526 k( 144) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 145) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0039526 k( 146) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0039526 k( 147) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0039526 k( 148) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0039526 k( 149) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0039526 k( 150) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0039526 k( 151) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0039526 k( 152) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0039526 k( 153) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0039526 k( 154) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0039526 k( 155) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0039526 k( 156) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0039526 k( 157) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0039526 k( 158) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0039526 k( 159) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0039526 k( 160) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0039526 k( 161) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0039526 k( 162) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0039526 k( 163) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0039526 k( 164) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0039526 k( 165) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0039526 k( 166) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0039526 k( 167) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0039526 k( 168) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0039526 k( 169) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0039526 k( 170) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0039526 k( 171) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0039526 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 k( 174) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039526 k( 175) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039526 k( 176) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039526 k( 177) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039526 k( 178) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039526 k( 179) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039526 k( 180) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039526 k( 181) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039526 k( 182) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039526 k( 183) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039526 k( 184) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039526 k( 185) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039526 k( 186) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039526 k( 187) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039526 k( 188) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039526 k( 189) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039526 k( 190) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039526 k( 191) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039526 k( 192) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039526 k( 193) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039526 k( 194) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039526 k( 195) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039526 k( 196) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039526 k( 197) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039526 k( 198) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039526 k( 199) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039526 k( 200) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039526 k( 201) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039526 k( 202) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039526 k( 203) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039526 k( 204) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039526 k( 205) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039526 k( 206) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039526 k( 207) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039526 k( 208) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039526 k( 209) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039526 k( 210) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039526 k( 211) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039526 k( 212) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039526 k( 213) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039526 k( 214) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039526 k( 215) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039526 k( 216) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039526 k( 217) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039526 k( 218) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039526 k( 219) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 220) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039526 k( 221) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039526 k( 235) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039526 k( 236) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039526 k( 237) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039526 k( 238) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039526 k( 239) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039526 k( 240) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039526 k( 241) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039526 k( 242) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039526 k( 243) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039526 k( 244) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039526 k( 245) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039526 k( 246) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039526 k( 247) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039526 k( 248) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039526 k( 249) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039526 k( 250) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039526 k( 251) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039526 k( 252) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039526 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039526 Dense grid: 78205 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 27633 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 204, 48) NL pseudopotentials 0.23 Mb ( 102, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2174) G-vector shells 0.00 Mb ( 460) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 204, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 150, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Y3AlC.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.5 secs Computing kpt #: 14 total cpu time spent up to now is 10.0 secs Computing kpt #: 15 total cpu time spent up to now is 10.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.6 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.6 secs Computing kpt #: 24 total cpu time spent up to now is 16.0 secs Computing kpt #: 25 total cpu time spent up to now is 16.4 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.1 secs Computing kpt #: 28 total cpu time spent up to now is 17.4 secs Computing kpt #: 29 total cpu time spent up to now is 17.7 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.9 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.9 secs Computing kpt #: 36 total cpu time spent up to now is 20.2 secs Computing kpt #: 37 total cpu time spent up to now is 20.5 secs Computing kpt #: 38 total cpu time spent up to now is 20.9 secs Computing kpt #: 39 total cpu time spent up to now is 21.2 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 21.9 secs Computing kpt #: 42 total cpu time spent up to now is 22.2 secs Computing kpt #: 43 total cpu time spent up to now is 22.5 secs Computing kpt #: 44 total cpu time spent up to now is 22.9 secs Computing kpt #: 45 total cpu time spent up to now is 23.2 secs Computing kpt #: 46 total cpu time spent up to now is 23.6 secs Computing kpt #: 47 total cpu time spent up to now is 23.9 secs Computing kpt #: 48 total cpu time spent up to now is 24.3 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.3 secs Computing kpt #: 52 total cpu time spent up to now is 25.7 secs Computing kpt #: 53 total cpu time spent up to now is 26.0 secs Computing kpt #: 54 total cpu time spent up to now is 26.3 secs Computing kpt #: 55 total cpu time spent up to now is 26.7 secs Computing kpt #: 56 total cpu time spent up to now is 27.1 secs Computing kpt #: 57 total cpu time spent up to now is 27.6 secs Computing kpt #: 58 total cpu time spent up to now is 28.0 secs Computing kpt #: 59 total cpu time spent up to now is 28.4 secs Computing kpt #: 60 total cpu time spent up to now is 28.9 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.8 secs Computing kpt #: 63 total cpu time spent up to now is 30.3 secs Computing kpt #: 64 total cpu time spent up to now is 30.7 secs Computing kpt #: 65 total cpu time spent up to now is 31.2 secs Computing kpt #: 66 total cpu time spent up to now is 31.7 secs Computing kpt #: 67 total cpu time spent up to now is 32.1 secs Computing kpt #: 68 total cpu time spent up to now is 32.6 secs Computing kpt #: 69 total cpu time spent up to now is 33.1 secs Computing kpt #: 70 total cpu time spent up to now is 33.6 secs Computing kpt #: 71 total cpu time spent up to now is 34.1 secs Computing kpt #: 72 total cpu time spent up to now is 34.6 secs Computing kpt #: 73 total cpu time spent up to now is 35.1 secs Computing kpt #: 74 total cpu time spent up to now is 35.6 secs Computing kpt #: 75 total cpu time spent up to now is 36.0 secs Computing kpt #: 76 total cpu time spent up to now is 36.5 secs Computing kpt #: 77 total cpu time spent up to now is 36.9 secs Computing kpt #: 78 total cpu time spent up to now is 37.3 secs Computing kpt #: 79 total cpu time spent up to now is 37.6 secs Computing kpt #: 80 total cpu time spent up to now is 38.0 secs Computing kpt #: 81 total cpu time spent up to now is 38.3 secs Computing kpt #: 82 total cpu time spent up to now is 38.7 secs Computing kpt #: 83 total cpu time spent up to now is 39.0 secs Computing kpt #: 84 total cpu time spent up to now is 39.3 secs Computing kpt #: 85 total cpu time spent up to now is 39.7 secs Computing kpt #: 86 total cpu time spent up to now is 40.0 secs Computing kpt #: 87 total cpu time spent up to now is 40.4 secs Computing kpt #: 88 total cpu time spent up to now is 40.7 secs Computing kpt #: 89 total cpu time spent up to now is 41.1 secs Computing kpt #: 90 total cpu time spent up to now is 41.5 secs Computing kpt #: 91 total cpu time spent up to now is 41.8 secs Computing kpt #: 92 total cpu time spent up to now is 42.2 secs Computing kpt #: 93 total cpu time spent up to now is 42.7 secs Computing kpt #: 94 total cpu time spent up to now is 43.1 secs Computing kpt #: 95 total cpu time spent up to now is 43.6 secs Computing kpt #: 96 total cpu time spent up to now is 44.1 secs Computing kpt #: 97 total cpu time spent up to now is 44.5 secs Computing kpt #: 98 total cpu time spent up to now is 45.0 secs Computing kpt #: 99 total cpu time spent up to now is 45.3 secs Computing kpt #: 100 total cpu time spent up to now is 45.8 secs Computing kpt #: 101 total cpu time spent up to now is 46.1 secs Computing kpt #: 102 total cpu time spent up to now is 46.5 secs Computing kpt #: 103 total cpu time spent up to now is 46.9 secs Computing kpt #: 104 total cpu time spent up to now is 47.3 secs Computing kpt #: 105 total cpu time spent up to now is 47.6 secs Computing kpt #: 106 total cpu time spent up to now is 48.0 secs Computing kpt #: 107 total cpu time spent up to now is 48.4 secs Computing kpt #: 108 total cpu time spent up to now is 48.9 secs Computing kpt #: 109 total cpu time spent up to now is 49.3 secs Computing kpt #: 110 total cpu time spent up to now is 49.7 secs Computing kpt #: 111 total cpu time spent up to now is 50.1 secs Computing kpt #: 112 total cpu time spent up to now is 50.6 secs Computing kpt #: 113 total cpu time spent up to now is 51.1 secs Computing kpt #: 114 total cpu time spent up to now is 51.5 secs Computing kpt #: 115 total cpu time spent up to now is 51.9 secs Computing kpt #: 116 total cpu time spent up to now is 52.2 secs Computing kpt #: 117 total cpu time spent up to now is 52.7 secs Computing kpt #: 118 total cpu time spent up to now is 53.2 secs Computing kpt #: 119 total cpu time spent up to now is 53.6 secs Computing kpt #: 120 total cpu time spent up to now is 54.1 secs Computing kpt #: 121 total cpu time spent up to now is 54.5 secs Computing kpt #: 122 total cpu time spent up to now is 55.0 secs Computing kpt #: 123 total cpu time spent up to now is 55.4 secs Computing kpt #: 124 total cpu time spent up to now is 55.9 secs Computing kpt #: 125 total cpu time spent up to now is 56.3 secs Computing kpt #: 126 total cpu time spent up to now is 56.7 secs Computing kpt #: 127 total cpu time spent up to now is 57.2 secs Computing kpt #: 128 total cpu time spent up to now is 57.6 secs Computing kpt #: 129 total cpu time spent up to now is 58.1 secs Computing kpt #: 130 total cpu time spent up to now is 58.5 secs Computing kpt #: 131 total cpu time spent up to now is 59.0 secs Computing kpt #: 132 total cpu time spent up to now is 59.4 secs Computing kpt #: 133 total cpu time spent up to now is 59.9 secs Computing kpt #: 134 total cpu time spent up to now is 60.3 secs Computing kpt #: 135 total cpu time spent up to now is 60.8 secs Computing kpt #: 136 total cpu time spent up to now is 61.2 secs Computing kpt #: 137 total cpu time spent up to now is 61.7 secs Computing kpt #: 138 total cpu time spent up to now is 62.2 secs Computing kpt #: 139 total cpu time spent up to now is 62.6 secs Computing kpt #: 140 total cpu time spent up to now is 63.1 secs Computing kpt #: 141 total cpu time spent up to now is 63.6 secs Computing kpt #: 142 total cpu time spent up to now is 64.1 secs Computing kpt #: 143 total cpu time spent up to now is 64.5 secs Computing kpt #: 144 total cpu time spent up to now is 65.0 secs Computing kpt #: 145 total cpu time spent up to now is 65.5 secs Computing kpt #: 146 total cpu time spent up to now is 66.0 secs Computing kpt #: 147 total cpu time spent up to now is 66.6 secs Computing kpt #: 148 total cpu time spent up to now is 67.1 secs Computing kpt #: 149 total cpu time spent up to now is 67.5 secs Computing kpt #: 150 total cpu time spent up to now is 68.0 secs Computing kpt #: 151 total cpu time spent up to now is 68.5 secs Computing kpt #: 152 total cpu time spent up to now is 69.0 secs Computing kpt #: 153 total cpu time spent up to now is 69.4 secs Computing kpt #: 154 total cpu time spent up to now is 69.9 secs Computing kpt #: 155 total cpu time spent up to now is 70.4 secs Computing kpt #: 156 total cpu time spent up to now is 70.8 secs Computing kpt #: 157 total cpu time spent up to now is 71.3 secs Computing kpt #: 158 total cpu time spent up to now is 71.7 secs Computing kpt #: 159 total cpu time spent up to now is 72.2 secs Computing kpt #: 160 total cpu time spent up to now is 72.7 secs Computing kpt #: 161 total cpu time spent up to now is 73.1 secs Computing kpt #: 162 total cpu time spent up to now is 73.6 secs Computing kpt #: 163 total cpu time spent up to now is 74.0 secs Computing kpt #: 164 total cpu time spent up to now is 74.4 secs Computing kpt #: 165 total cpu time spent up to now is 74.9 secs Computing kpt #: 166 total cpu time spent up to now is 75.3 secs Computing kpt #: 167 total cpu time spent up to now is 75.7 secs Computing kpt #: 168 total cpu time spent up to now is 76.2 secs Computing kpt #: 169 total cpu time spent up to now is 76.6 secs Computing kpt #: 170 total cpu time spent up to now is 77.1 secs Computing kpt #: 171 total cpu time spent up to now is 77.5 secs Computing kpt #: 172 total cpu time spent up to now is 77.9 secs Computing kpt #: 173 total cpu time spent up to now is 78.3 secs Computing kpt #: 174 total cpu time spent up to now is 78.8 secs Computing kpt #: 175 total cpu time spent up to now is 79.2 secs Computing kpt #: 176 total cpu time spent up to now is 79.6 secs Computing kpt #: 177 total cpu time spent up to now is 80.1 secs Computing kpt #: 178 total cpu time spent up to now is 80.5 secs Computing kpt #: 179 total cpu time spent up to now is 80.9 secs Computing kpt #: 180 total cpu time spent up to now is 81.3 secs Computing kpt #: 181 total cpu time spent up to now is 81.8 secs Computing kpt #: 182 total cpu time spent up to now is 82.2 secs Computing kpt #: 183 total cpu time spent up to now is 82.7 secs Computing kpt #: 184 total cpu time spent up to now is 83.1 secs Computing kpt #: 185 total cpu time spent up to now is 83.6 secs Computing kpt #: 186 total cpu time spent up to now is 84.1 secs Computing kpt #: 187 total cpu time spent up to now is 84.5 secs Computing kpt #: 188 total cpu time spent up to now is 84.9 secs Computing kpt #: 189 total cpu time spent up to now is 85.3 secs Computing kpt #: 190 total cpu time spent up to now is 85.7 secs Computing kpt #: 191 total cpu time spent up to now is 86.1 secs Computing kpt #: 192 total cpu time spent up to now is 86.6 secs Computing kpt #: 193 total cpu time spent up to now is 87.1 secs Computing kpt #: 194 total cpu time spent up to now is 87.5 secs Computing kpt #: 195 total cpu time spent up to now is 88.1 secs Computing kpt #: 196 total cpu time spent up to now is 88.6 secs Computing kpt #: 197 total cpu time spent up to now is 89.1 secs Computing kpt #: 198 total cpu time spent up to now is 89.5 secs Computing kpt #: 199 total cpu time spent up to now is 89.8 secs Computing kpt #: 200 total cpu time spent up to now is 90.2 secs Computing kpt #: 201 total cpu time spent up to now is 90.6 secs Computing kpt #: 202 total cpu time spent up to now is 90.9 secs Computing kpt #: 203 total cpu time spent up to now is 91.3 secs Computing kpt #: 204 total cpu time spent up to now is 91.6 secs Computing kpt #: 205 total cpu time spent up to now is 92.0 secs Computing kpt #: 206 total cpu time spent up to now is 92.3 secs Computing kpt #: 207 total cpu time spent up to now is 92.6 secs Computing kpt #: 208 total cpu time spent up to now is 93.0 secs Computing kpt #: 209 total cpu time spent up to now is 93.3 secs Computing kpt #: 210 total cpu time spent up to now is 93.6 secs Computing kpt #: 211 total cpu time spent up to now is 94.0 secs Computing kpt #: 212 total cpu time spent up to now is 94.3 secs Computing kpt #: 213 total cpu time spent up to now is 94.7 secs Computing kpt #: 214 total cpu time spent up to now is 95.0 secs Computing kpt #: 215 total cpu time spent up to now is 95.3 secs Computing kpt #: 216 total cpu time spent up to now is 95.7 secs Computing kpt #: 217 total cpu time spent up to now is 96.0 secs Computing kpt #: 218 total cpu time spent up to now is 96.3 secs Computing kpt #: 219 total cpu time spent up to now is 96.7 secs Computing kpt #: 220 total cpu time spent up to now is 97.1 secs Computing kpt #: 221 total cpu time spent up to now is 97.6 secs Computing kpt #: 222 total cpu time spent up to now is 98.1 secs Computing kpt #: 223 total cpu time spent up to now is 98.6 secs Computing kpt #: 224 total cpu time spent up to now is 99.1 secs Computing kpt #: 225 total cpu time spent up to now is 99.6 secs Computing kpt #: 226 total cpu time spent up to now is 100.1 secs Computing kpt #: 227 total cpu time spent up to now is 100.6 secs Computing kpt #: 228 total cpu time spent up to now is 101.0 secs Computing kpt #: 229 total cpu time spent up to now is 101.5 secs Computing kpt #: 230 total cpu time spent up to now is 102.0 secs Computing kpt #: 231 total cpu time spent up to now is 102.5 secs Computing kpt #: 232 total cpu time spent up to now is 102.9 secs Computing kpt #: 233 total cpu time spent up to now is 103.4 secs Computing kpt #: 234 total cpu time spent up to now is 103.9 secs Computing kpt #: 235 total cpu time spent up to now is 104.4 secs Computing kpt #: 236 total cpu time spent up to now is 104.9 secs Computing kpt #: 237 total cpu time spent up to now is 105.3 secs Computing kpt #: 238 total cpu time spent up to now is 105.8 secs Computing kpt #: 239 total cpu time spent up to now is 106.3 secs Computing kpt #: 240 total cpu time spent up to now is 106.7 secs Computing kpt #: 241 total cpu time spent up to now is 107.2 secs Computing kpt #: 242 total cpu time spent up to now is 107.6 secs Computing kpt #: 243 total cpu time spent up to now is 108.1 secs Computing kpt #: 244 total cpu time spent up to now is 108.5 secs Computing kpt #: 245 total cpu time spent up to now is 108.9 secs Computing kpt #: 246 total cpu time spent up to now is 109.4 secs Computing kpt #: 247 total cpu time spent up to now is 109.8 secs Computing kpt #: 248 total cpu time spent up to now is 110.2 secs Computing kpt #: 249 total cpu time spent up to now is 110.7 secs Computing kpt #: 250 total cpu time spent up to now is 111.1 secs Computing kpt #: 251 total cpu time spent up to now is 111.6 secs Computing kpt #: 252 total cpu time spent up to now is 112.0 secs Computing kpt #: 253 total cpu time spent up to now is 112.4 secs ethr = 2.50E-08, avg # of iterations = 22.5 total cpu time spent up to now is 112.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3431 PWs) bands (ev): -32.7667 -32.7667 -32.6556 -32.6556 -32.6556 -32.6556 -13.8563 -13.8563 -13.8563 -13.8563 -13.5510 -13.5510 -12.5464 -12.5464 -12.4483 -12.4483 -12.4483 -12.4483 -12.2853 -12.2853 -12.0214 -12.0214 -12.0214 -12.0214 -0.4678 -0.4678 3.9220 3.9220 8.7471 8.7471 8.7471 8.7471 8.9400 8.9400 8.9400 8.9400 9.0598 9.0598 9.2392 9.2392 9.2441 9.2441 9.2441 9.2441 11.1009 11.1009 11.1740 11.1740 k = 0.0000 0.0152-0.0000 ( 3431 PWs) bands (ev): -32.7667 -32.7667 -32.6557 -32.6557 -32.6556 -32.6556 -13.8563 -13.8563 -13.8561 -13.8561 -13.5512 -13.5512 -12.5463 -12.5463 -12.4482 -12.4482 -12.4482 -12.4482 -12.2853 -12.2853 -12.0217 -12.0217 -12.0215 -12.0215 -0.4664 -0.4664 3.9234 3.9234 8.7335 8.7335 8.7491 8.7491 8.9375 8.9375 8.9451 8.9451 9.0591 9.0591 9.2398 9.2398 9.2447 9.2447 9.2448 9.2448 11.0996 11.0996 11.1695 11.1695 k = 0.0000 0.0303-0.0000 ( 3423 PWs) bands (ev): -32.7665 -32.7665 -32.6559 -32.6559 -32.6556 -32.6556 -13.8562 -13.8562 -13.8556 -13.8556 -13.5516 -13.5516 -12.5458 -12.5458 -12.4482 -12.4482 -12.4478 -12.4478 -12.2855 -12.2855 -12.0228 -12.0228 -12.0218 -12.0218 -0.4622 -0.4622 3.9276 3.9276 8.6975 8.6975 8.7551 8.7551 8.9303 8.9303 8.9550 8.9550 9.0579 9.0579 9.2412 9.2412 9.2462 9.2462 9.2470 9.2470 11.0913 11.0913 11.1610 11.1610 k = 0.0000 0.0455-0.0000 ( 3423 PWs) bands (ev): -32.7662 -32.7662 -32.6562 -32.6562 -32.6556 -32.6556 -13.8561 -13.8561 -13.8548 -13.8548 -13.5523 -13.5523 -12.5451 -12.5451 -12.4481 -12.4481 -12.4473 -12.4473 -12.2858 -12.2858 -12.0245 -12.0245 -12.0224 -12.0224 -0.4553 -0.4553 3.9345 3.9345 8.6469 8.6469 8.7650 8.7650 8.9188 8.9188 8.9607 8.9607 9.0581 9.0581 9.2430 9.2430 9.2481 9.2481 9.2508 9.2508 11.0666 11.0666 11.1602 11.1602 k = 0.0000 0.0606-0.0000 ( 3443 PWs) bands (ev): -32.7658 -32.7658 -32.6566 -32.6566 -32.6557 -32.6557 -13.8560 -13.8560 -13.8537 -13.8537 -13.5532 -13.5532 -12.5441 -12.5441 -12.4480 -12.4480 -12.4465 -12.4465 -12.2861 -12.2861 -12.0270 -12.0270 -12.0233 -12.0233 -0.4457 -0.4457 3.9442 3.9442 8.5864 8.5864 8.7789 8.7789 8.9037 8.9037 8.9575 8.9575 9.0599 9.0599 9.2444 9.2444 9.2496 9.2496 9.2564 9.2564 11.0251 11.0251 11.1705 11.1705 k = 0.0000 0.0758-0.0000 ( 3451 PWs) bands (ev): -32.7653 -32.7653 -32.6571 -32.6571 -32.6557 -32.6557 -13.8558 -13.8558 -13.8523 -13.8523 -13.5545 -13.5545 -12.5428 -12.5428 -12.4478 -12.4478 -12.4456 -12.4456 -12.2866 -12.2866 -12.0301 -12.0301 -12.0243 -12.0243 -0.4334 -0.4334 3.9565 3.9565 8.5188 8.5188 8.7964 8.7964 8.8857 8.8857 8.9460 8.9460 9.0608 9.0608 9.2451 9.2451 9.2500 9.2500 9.2638 9.2638 10.9739 10.9739 11.1887 11.1887 k = 0.0000 0.0909-0.0000 ( 3455 PWs) bands (ev): -32.7647 -32.7647 -32.6577 -32.6577 -32.6557 -32.6557 -13.8555 -13.8555 -13.8505 -13.8505 -13.5560 -13.5560 -12.5412 -12.5412 -12.4476 -12.4476 -12.4444 -12.4444 -12.2872 -12.2872 -12.0340 -12.0340 -12.0256 -12.0256 -0.4185 -0.4185 3.9715 3.9715 8.4454 8.4454 8.8170 8.8170 8.8663 8.8663 8.9289 8.9289 9.0571 9.0571 9.2445 9.2445 9.2490 9.2490 9.2729 9.2729 10.9185 10.9185 11.2130 11.2130 k = 0.0000 0.1061-0.0000 ( 3467 PWs) bands (ev): -32.7640 -32.7640 -32.6585 -32.6585 -32.6557 -32.6557 -13.8553 -13.8553 -13.8485 -13.8485 -13.5577 -13.5577 -12.5395 -12.5395 -12.4472 -12.4472 -12.4430 -12.4430 -12.2879 -12.2879 -12.0384 -12.0384 -12.0271 -12.0271 -0.4011 -0.4011 3.9891 3.9891 8.3674 8.3674 8.8310 8.8310 8.8553 8.8553 8.9081 8.9081 9.0460 9.0460 9.2425 9.2425 9.2460 9.2460 9.2836 9.2836 10.8633 10.8633 11.2423 11.2423 k = 0.0000 0.1212-0.0000 ( 3475 PWs) bands (ev): -32.7632 -32.7632 -32.6593 -32.6593 -32.6557 -32.6557 -13.8550 -13.8550 -13.8461 -13.8461 -13.5598 -13.5598 -12.5375 -12.5375 -12.4467 -12.4467 -12.4414 -12.4414 -12.2887 -12.2887 -12.0436 -12.0436 -12.0288 -12.0288 -0.3813 -0.3813 4.0093 4.0093 8.2855 8.2855 8.8142 8.8142 8.8777 8.8777 8.8850 8.8850 9.0254 9.0254 9.2388 9.2388 9.2409 9.2409 9.2959 9.2959 10.8118 10.8118 11.2764 11.2764 k = 0.0000 0.1364-0.0000 ( 3483 PWs) bands (ev): -32.7623 -32.7623 -32.6603 -32.6603 -32.6557 -32.6557 -13.8547 -13.8547 -13.8435 -13.8435 -13.5621 -13.5621 -12.5353 -12.5353 -12.4461 -12.4461 -12.4396 -12.4396 -12.2896 -12.2896 -12.0493 -12.0493 -12.0306 -12.0306 -0.3592 -0.3592 4.0319 4.0319 8.2005 8.2005 8.7903 8.7903 8.8604 8.8604 8.9099 8.9099 8.9944 8.9944 9.2333 9.2333 9.2338 9.2338 9.3097 9.3097 10.7668 10.7668 11.3148 11.3148 k = 0.0000 0.1515-0.0000 ( 3483 PWs) bands (ev): -32.7613 -32.7613 -32.6613 -32.6613 -32.6557 -32.6557 -13.8543 -13.8543 -13.8405 -13.8405 -13.5646 -13.5646 -12.5329 -12.5329 -12.4453 -12.4453 -12.4376 -12.4376 -12.2906 -12.2906 -12.0556 -12.0556 -12.0326 -12.0326 -0.3351 -0.3351 4.0568 4.0568 8.1132 8.1132 8.7652 8.7652 8.8348 8.8348 8.9464 8.9464 8.9523 8.9523 9.2246 9.2246 9.2260 9.2260 9.3250 9.3250 10.7304 10.7304 11.3574 11.3574 k = 0.0000 0.1667-0.0000 ( 3483 PWs) bands (ev): -32.7602 -32.7602 -32.6624 -32.6624 -32.6557 -32.6557 -13.8540 -13.8540 -13.8373 -13.8373 -13.5674 -13.5674 -12.5305 -12.5305 -12.4442 -12.4442 -12.4354 -12.4354 -12.2917 -12.2917 -12.0625 -12.0625 -12.0348 -12.0348 -0.3089 -0.3089 4.0840 4.0840 8.0240 8.0240 8.7397 8.7397 8.8082 8.8082 8.8997 8.8997 8.9867 8.9867 9.2135 9.2135 9.2170 9.2170 9.3417 9.3417 10.7039 10.7039 11.4038 11.4038 k = 0.0000 0.1818-0.0000 ( 3495 PWs) bands (ev): -32.7590 -32.7590 -32.6636 -32.6636 -32.6557 -32.6557 -13.8536 -13.8536 -13.8338 -13.8338 -13.5705 -13.5705 -12.5280 -12.5280 -12.4428 -12.4428 -12.4331 -12.4331 -12.2930 -12.2930 -12.0700 -12.0700 -12.0371 -12.0371 -0.2810 -0.2810 4.1133 4.1133 7.9338 7.9338 8.7142 8.7142 8.7795 8.7795 8.8385 8.8385 9.0303 9.0303 9.2008 9.2008 9.2064 9.2064 9.3597 9.3597 10.6879 10.6879 11.4536 11.4536 k = 0.0000 0.1970-0.0000 ( 3483 PWs) bands (ev): -32.7577 -32.7577 -32.6648 -32.6648 -32.6557 -32.6557 -13.8532 -13.8532 -13.8301 -13.8301 -13.5738 -13.5738 -12.5255 -12.5255 -12.4410 -12.4410 -12.4305 -12.4305 -12.2944 -12.2944 -12.0779 -12.0779 -12.0396 -12.0396 -0.2514 -0.2514 4.1446 4.1446 7.8431 7.8431 8.6890 8.6890 8.7386 8.7386 8.7801 8.7801 9.0773 9.0773 9.1867 9.1867 9.1944 9.1944 9.3789 9.3789 10.6822 10.6822 11.5068 11.5068 k = 0.0000 0.2121-0.0000 ( 3499 PWs) bands (ev): -32.7564 -32.7564 -32.6662 -32.6662 -32.6557 -32.6557 -13.8527 -13.8527 -13.8261 -13.8261 -13.5773 -13.5773 -12.5231 -12.5231 -12.4388 -12.4388 -12.4278 -12.4278 -12.2959 -12.2959 -12.0864 -12.0864 -12.0421 -12.0421 -0.2205 -0.2205 4.1776 4.1776 7.7525 7.7525 8.6641 8.6641 8.6677 8.6677 8.7440 8.7440 9.1272 9.1272 9.1715 9.1715 9.1814 9.1814 9.3994 9.3994 10.6864 10.6864 11.5627 11.5627 k = 0.0000 0.2273-0.0000 ( 3499 PWs) bands (ev): -32.7550 -32.7550 -32.6676 -32.6676 -32.6557 -32.6557 -13.8523 -13.8523 -13.8219 -13.8219 -13.5811 -13.5811 -12.5207 -12.5207 -12.4362 -12.4362 -12.4248 -12.4248 -12.2975 -12.2975 -12.0953 -12.0953 -12.0447 -12.0447 -0.1885 -0.1885 4.2123 4.2123 7.6628 7.6628 8.5812 8.5812 8.6400 8.6400 8.7174 8.7174 9.1553 9.1553 9.1664 9.1664 9.1811 9.1811 9.4208 9.4208 10.6997 10.6997 11.6212 11.6212 k = 0.0000 0.2424-0.0000 ( 3495 PWs) bands (ev): -32.7534 -32.7534 -32.6691 -32.6691 -32.6557 -32.6557 -13.8519 -13.8519 -13.8175 -13.8175 -13.5850 -13.5850 -12.5185 -12.5185 -12.4330 -12.4330 -12.4218 -12.4218 -12.2992 -12.2992 -12.1047 -12.1047 -12.0473 -12.0473 -0.1555 -0.1555 4.2484 4.2484 7.5746 7.5746 8.4877 8.4877 8.6166 8.6166 8.6932 8.6932 9.1385 9.1385 9.1522 9.1522 9.2360 9.2360 9.4432 9.4432 10.7211 10.7211 11.6819 11.6819 k = 0.0000 0.2576-0.0000 ( 3495 PWs) bands (ev): -32.7519 -32.7519 -32.6707 -32.6707 -32.6557 -32.6557 -13.8514 -13.8514 -13.8128 -13.8128 -13.5892 -13.5892 -12.5165 -12.5165 -12.4292 -12.4292 -12.4185 -12.4185 -12.3011 -12.3011 -12.1144 -12.1144 -12.0500 -12.0500 -0.1219 -0.1219 4.2857 4.2857 7.4885 7.4885 8.3900 8.3900 8.5941 8.5941 8.6706 8.6706 9.1212 9.1212 9.1369 9.1369 9.2939 9.2939 9.4663 9.4663 10.7498 10.7498 11.7444 11.7444 k = 0.0000 0.2727-0.0000 ( 3483 PWs) bands (ev): -32.7502 -32.7502 -32.6723 -32.6723 -32.6557 -32.6557 -13.8510 -13.8510 -13.8080 -13.8080 -13.5935 -13.5935 -12.5146 -12.5146 -12.4249 -12.4249 -12.4152 -12.4152 -12.3032 -12.3032 -12.1245 -12.1245 -12.0527 -12.0527 -0.0880 -0.0880 4.3238 4.3238 7.4052 7.4052 8.2897 8.2897 8.5727 8.5727 8.6492 8.6492 9.1038 9.1038 9.1214 9.1214 9.3538 9.3538 9.4901 9.4901 10.7849 10.7849 11.8084 11.8084 k = 0.0000 0.2879-0.0000 ( 3479 PWs) bands (ev): -32.7485 -32.7485 -32.6740 -32.6740 -32.6556 -32.6556 -13.8505 -13.8505 -13.8031 -13.8031 -13.5980 -13.5980 -12.5131 -12.5131 -12.4199 -12.4199 -12.4117 -12.4117 -12.3053 -12.3053 -12.1349 -12.1349 -12.0553 -12.0553 -0.0540 -0.0540 4.3625 4.3625 7.3253 7.3253 8.1880 8.1880 8.5523 8.5523 8.6291 8.6291 9.0865 9.0865 9.1059 9.1059 9.4155 9.4155 9.5144 9.5144 10.8254 10.8254 11.8733 11.8733 k = 0.0000 0.3030-0.0000 ( 3487 PWs) bands (ev): -32.7468 -32.7468 -32.6757 -32.6757 -32.6557 -32.6557 -13.8501 -13.8501 -13.7980 -13.7980 -13.6027 -13.6027 -12.5117 -12.5117 -12.4144 -12.4144 -12.4081 -12.4081 -12.3076 -12.3076 -12.1456 -12.1456 -12.0579 -12.0579 -0.0203 -0.0203 4.4015 4.4015 7.2496 7.2496 8.0861 8.0861 8.5332 8.5332 8.6102 8.6102 9.0695 9.0695 9.0905 9.0905 9.4783 9.4783 9.5390 9.5390 10.8706 10.8706 11.9292 11.9296 k = 0.0000 0.3182-0.0000 ( 3491 PWs) bands (ev): -32.7451 -32.7451 -32.6775 -32.6775 -32.6557 -32.6557 -13.8497 -13.8497 -13.7929 -13.7929 -13.6074 -13.6074 -12.5106 -12.5106 -12.4082 -12.4082 -12.4044 -12.4044 -12.3101 -12.3101 -12.1565 -12.1565 -12.0604 -12.0604 0.0128 0.0128 4.4403 4.4403 7.1786 7.1786 7.9851 7.9851 8.5152 8.5152 8.5926 8.5926 9.0529 9.0529 9.0755 9.0755 9.5415 9.5415 9.5640 9.5640 10.9199 10.9199 11.8840 11.8840 k = 0.0000 0.3333-0.0000 ( 3499 PWs) bands (ev): -32.7433 -32.7433 -32.6792 -32.6792 -32.6557 -32.6557 -13.8493 -13.8493 -13.7876 -13.7876 -13.6123 -13.6123 -12.5097 -12.5097 -12.4014 -12.4014 -12.4005 -12.4005 -12.3127 -12.3127 -12.1676 -12.1676 -12.0628 -12.0628 0.0450 0.0450 4.4785 4.4785 7.1131 7.1131 7.8858 7.8858 8.4986 8.4986 8.5763 8.5763 9.0370 9.0370 9.0610 9.0610 9.5864 9.5864 9.6074 9.6074 10.9724 10.9724 11.8368 11.8368 k = 0.0000 0.3485-0.0000 ( 3495 PWs) bands (ev): -32.7415 -32.7415 -32.6810 -32.6810 -32.6557 -32.6557 -13.8490 -13.8490 -13.7824 -13.7824 -13.6172 -13.6172 -12.5090 -12.5090 -12.3967 -12.3967 -12.3941 -12.3941 -12.3154 -12.3154 -12.1790 -12.1790 -12.0652 -12.0652 0.0759 0.0759 4.5158 4.5158 7.0536 7.0536 7.7892 7.7892 8.4833 8.4833 8.5614 8.5614 9.0219 9.0219 9.0473 9.0473 9.6109 9.6109 9.6704 9.6704 11.0274 11.0274 11.7913 11.7913 k = 0.0000 0.3636-0.0000 ( 3495 PWs) bands (ev): -32.7398 -32.7398 -32.6827 -32.6827 -32.6556 -32.6556 -13.8486 -13.8486 -13.7772 -13.7772 -13.6221 -13.6221 -12.5084 -12.5084 -12.3927 -12.3927 -12.3863 -12.3863 -12.3182 -12.3182 -12.1904 -12.1904 -12.0673 -12.0673 0.1052 0.1052 4.5515 4.5515 7.0007 7.0007 7.6961 7.6961 8.4694 8.4694 8.5479 8.5479 9.0078 9.0078 9.0345 9.0345 9.6340 9.6340 9.7327 9.7327 11.0842 11.0842 11.7481 11.7481 k = 0.0000 0.3788-0.0000 ( 3487 PWs) bands (ev): -32.7381 -32.7381 -32.6844 -32.6844 -32.6556 -32.6556 -13.8483 -13.8483 -13.7720 -13.7720 -13.6269 -13.6269 -12.5080 -12.5080 -12.3888 -12.3888 -12.3780 -12.3780 -12.3211 -12.3211 -12.2020 -12.2020 -12.0693 -12.0693 0.1326 0.1326 4.5853 4.5853 6.9547 6.9547 7.6073 7.6073 8.4568 8.4568 8.5357 8.5357 8.9949 8.9949 9.0226 9.0226 9.6560 9.6560 9.7931 9.7931 11.1419 11.1419 11.7078 11.7078 k = 0.0000 0.3939-0.0000 ( 3483 PWs) bands (ev): -32.7364 -32.7364 -32.6860 -32.6860 -32.6556 -32.6556 -13.8480 -13.8480 -13.7671 -13.7671 -13.6316 -13.6316 -12.5077 -12.5077 -12.3848 -12.3848 -12.3692 -12.3692 -12.3241 -12.3241 -12.2135 -12.2135 -12.0711 -12.0711 0.1576 0.1576 4.6167 4.6167 6.9162 6.9162 7.5238 7.5238 8.4457 8.4457 8.5250 8.5250 8.9831 8.9831 9.0119 9.0119 9.6766 9.6766 9.8505 9.8505 11.1994 11.1994 11.6707 11.6707 k = 0.0000 0.4091-0.0000 ( 3482 PWs) bands (ev): -32.7349 -32.7349 -32.6876 -32.6876 -32.6556 -32.6556 -13.8478 -13.8478 -13.7623 -13.7623 -13.6361 -13.6361 -12.5075 -12.5075 -12.3809 -12.3809 -12.3601 -12.3601 -12.3272 -12.3272 -12.2251 -12.2251 -12.0727 -12.0727 0.1801 0.1801 4.6450 4.6450 6.8851 6.8851 7.4466 7.4466 8.4361 8.4361 8.5157 8.5157 8.9728 8.9728 9.0024 9.0024 9.6953 9.6953 9.9038 9.9038 11.2555 11.2555 11.6374 11.6374 k = 0.0000 0.4242-0.0000 ( 3490 PWs) bands (ev): -32.7335 -32.7335 -32.6890 -32.6890 -32.6556 -32.6556 -13.8475 -13.8475 -13.7580 -13.7580 -13.6402 -13.6402 -12.5073 -12.5073 -12.3771 -12.3771 -12.3507 -12.3507 -12.3303 -12.3303 -12.2367 -12.2367 -12.0741 -12.0741 0.1996 0.1996 4.6699 4.6699 6.8614 6.8614 7.3767 7.3767 8.4279 8.4279 8.5078 8.5078 8.9638 8.9638 8.9942 8.9942 9.7119 9.7119 9.9519 9.9519 11.3086 11.3086 11.6084 11.6084 k = 0.0000 0.4394-0.0000 ( 3490 PWs) bands (ev): -32.7322 -32.7322 -32.6903 -32.6903 -32.6556 -32.6556 -13.8473 -13.8473 -13.7541 -13.7541 -13.6439 -13.6439 -12.5072 -12.5072 -12.3734 -12.3734 -12.3411 -12.3411 -12.3334 -12.3334 -12.2480 -12.2480 -12.0753 -12.0753 0.2160 0.2160 4.6909 4.6909 6.8446 6.8446 7.3156 7.3156 8.4212 8.4212 8.5013 8.5013 8.9564 8.9564 8.9875 8.9875 9.7261 9.7261 9.9935 9.9935 11.3570 11.3570 11.5839 11.5839 k = 0.0000 0.4545-0.0000 ( 3482 PWs) bands (ev): -32.7312 -32.7312 -32.6913 -32.6913 -32.6556 -32.6556 -13.8472 -13.8472 -13.7508 -13.7508 -13.6471 -13.6471 -12.5071 -12.5071 -12.3701 -12.3701 -12.3362 -12.3362 -12.3313 -12.3313 -12.2591 -12.2591 -12.0762 -12.0762 0.2290 0.2290 4.7077 4.7077 6.8339 6.8339 7.2649 7.2649 8.4159 8.4159 8.4963 8.4963 8.9506 8.9506 8.9821 8.9821 9.7374 9.7374 10.0274 10.0274 11.3985 11.3985 11.5645 11.5645 k = 0.0000 0.4697-0.0000 ( 3482 PWs) bands (ev): -32.7304 -32.7304 -32.6921 -32.6921 -32.6556 -32.6556 -13.8471 -13.8471 -13.7483 -13.7483 -13.6494 -13.6494 -12.5071 -12.5071 -12.3672 -12.3672 -12.3387 -12.3387 -12.3218 -12.3218 -12.2696 -12.2696 -12.0769 -12.0769 0.2384 0.2384 4.7199 4.7199 6.8280 6.8280 7.2265 7.2265 8.4122 8.4122 8.4927 8.4927 8.9464 8.9464 8.9783 8.9783 9.7458 9.7458 10.0526 10.0526 11.4305 11.4305 11.5504 11.5504 k = 0.0000 0.4848-0.0000 ( 3482 PWs) bands (ev): -32.7299 -32.7299 -32.6926 -32.6926 -32.6556 -32.6556 -13.8470 -13.8470 -13.7468 -13.7468 -13.6509 -13.6509 -12.5071 -12.5071 -12.3652 -12.3652 -12.3405 -12.3405 -12.3134 -12.3134 -12.2785 -12.2785 -12.0773 -12.0773 0.2441 0.2441 4.7273 4.7273 6.8254 6.8254 7.2024 7.2024 8.4099 8.4099 8.4905 8.4905 8.9438 8.9438 8.9759 8.9759 9.7509 9.7509 10.0681 10.0681 11.4510 11.4510 11.5418 11.5418 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): -32.7296 -32.7296 -32.6927 -32.6927 -32.6556 -32.6556 -13.8470 -13.8470 -13.7463 -13.7463 -13.6514 -13.6514 -12.5071 -12.5071 -12.3644 -12.3644 -12.3412 -12.3412 -12.3094 -12.3094 -12.2827 -12.2827 -12.0774 -12.0774 0.2460 0.2460 4.7298 4.7298 6.8247 6.8247 7.1941 7.1941 8.4092 8.4092 8.4898 8.4898 8.9430 8.9430 8.9752 8.9752 9.7526 9.7526 10.0733 10.0733 11.4580 11.4580 11.5389 11.5389 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): -32.7296 -32.7296 -32.6927 -32.6927 -32.6556 -32.6556 -13.8470 -13.8470 -13.7463 -13.7463 -13.6514 -13.6514 -12.5071 -12.5071 -12.3644 -12.3644 -12.3412 -12.3412 -12.3094 -12.3094 -12.2827 -12.2827 -12.0774 -12.0774 0.2460 0.2460 4.7298 4.7298 6.8247 6.8247 7.1941 7.1941 8.4092 8.4092 8.4898 8.4898 8.9430 8.9430 8.9752 8.9752 9.7526 9.7526 10.0733 10.0733 11.4580 11.4580 11.5389 11.5389 k = 0.0152 0.5000-0.0000 ( 3480 PWs) bands (ev): -32.7297 -32.7297 -32.6927 -32.6927 -32.6556 -32.6556 -13.8469 -13.8469 -13.7463 -13.7463 -13.6516 -13.6516 -12.5071 -12.5071 -12.3655 -12.3655 -12.3405 -12.3405 -12.3097 -12.3097 -12.2821 -12.2821 -12.0774 -12.0774 0.2474 0.2474 4.7307 4.7307 6.8257 6.8257 7.1918 7.1918 8.4062 8.4062 8.4865 8.4865 8.9419 8.9419 8.9739 8.9739 9.7559 9.7559 10.0752 10.0752 11.4581 11.4581 11.5359 11.5359 k = 0.0303 0.5000-0.0000 ( 3480 PWs) bands (ev): -32.7295 -32.7295 -32.6927 -32.6927 -32.6558 -32.6558 -13.8467 -13.8467 -13.7465 -13.7465 -13.6520 -13.6520 -12.5071 -12.5071 -12.3682 -12.3682 -12.3387 -12.3387 -12.3102 -12.3102 -12.2804 -12.2804 -12.0776 -12.0776 0.2514 0.2514 4.7334 4.7334 6.8286 6.8286 7.1851 7.1851 8.3970 8.3970 8.4770 8.4770 8.9384 8.9384 8.9704 8.9704 9.7658 9.7658 10.0806 10.0806 11.4585 11.4585 11.5269 11.5269 k = 0.0455 0.5000-0.0000 ( 3480 PWs) bands (ev): -32.7293 -32.7293 -32.6927 -32.6927 -32.6560 -32.6560 -13.8463 -13.8463 -13.7468 -13.7468 -13.6527 -13.6527 -12.5071 -12.5071 -12.3719 -12.3719 -12.3365 -12.3365 -12.3108 -12.3108 -12.2778 -12.2778 -12.0778 -12.0778 0.2582 0.2582 4.7380 4.7380 6.8333 6.8333 7.1739 7.1739 8.3814 8.3814 8.4619 8.4619 8.9321 8.9321 8.9651 8.9651 9.7821 9.7821 10.0897 10.0897 11.4589 11.4589 11.5128 11.5128 k = 0.0606 0.5000-0.0000 ( 3474 PWs) bands (ev): -32.7290 -32.7290 -32.6927 -32.6927 -32.6562 -32.6562 -13.8458 -13.8458 -13.7473 -13.7473 -13.6536 -13.6536 -12.5071 -12.5071 -12.3763 -12.3763 -12.3346 -12.3346 -12.3110 -12.3110 -12.2746 -12.2746 -12.0781 -12.0781 0.2676 0.2676 4.7444 4.7444 6.8397 6.8397 7.1585 7.1585 8.3590 8.3590 8.4426 8.4426 8.9224 8.9224 8.9585 8.9585 9.8044 9.8044 10.1025 10.1025 11.4586 11.4586 11.4951 11.4951 k = 0.0758 0.5000-0.0000 ( 3474 PWs) bands (ev): -32.7287 -32.7287 -32.6927 -32.6927 -32.6566 -32.6566 -13.8451 -13.8451 -13.7478 -13.7478 -13.6549 -13.6549 -12.5071 -12.5071 -12.3811 -12.3811 -12.3333 -12.3333 -12.3106 -12.3106 -12.2710 -12.2710 -12.0784 -12.0784 0.2796 0.2796 4.7527 4.7527 6.8475 6.8475 7.1390 7.1390 8.3296 8.3296 8.4203 8.4203 8.9090 8.9090 8.9513 8.9513 9.8323 9.8323 10.1188 10.1188 11.4546 11.4546 11.4776 11.4776 k = 0.0909 0.5000-0.0000 ( 3466 PWs) bands (ev): -32.7282 -32.7282 -32.6927 -32.6927 -32.6570 -32.6570 -13.8442 -13.8442 -13.7485 -13.7485 -13.6564 -13.6564 -12.5071 -12.5071 -12.3861 -12.3861 -12.3327 -12.3327 -12.3093 -12.3093 -12.2670 -12.2670 -12.0788 -12.0788 0.2941 0.2941 4.7627 4.7627 6.8564 6.8564 7.1157 7.1157 8.2935 8.2935 8.3961 8.3961 8.8917 8.8917 8.9438 8.9438 9.8651 9.8651 10.1387 10.1387 11.4382 11.4382 11.4698 11.4698 k = 0.1061 0.5000-0.0000 ( 3470 PWs) bands (ev): -32.7277 -32.7277 -32.6927 -32.6927 -32.6576 -32.6576 -13.8432 -13.8432 -13.7493 -13.7493 -13.6581 -13.6581 -12.5070 -12.5070 -12.3912 -12.3912 -12.3329 -12.3329 -12.3074 -12.3074 -12.2628 -12.2628 -12.0792 -12.0792 0.3111 0.3111 4.7744 4.7744 6.8659 6.8659 7.0890 7.0890 8.2513 8.2513 8.3709 8.3709 8.8708 8.8708 8.9358 8.9358 9.9025 9.9025 10.1621 10.1621 11.4133 11.4133 11.4684 11.4684 k = 0.1212 0.5000-0.0000 ( 3474 PWs) bands (ev): -32.7270 -32.7270 -32.6927 -32.6927 -32.6582 -32.6582 -13.8421 -13.8421 -13.7502 -13.7502 -13.6601 -13.6601 -12.5069 -12.5069 -12.3963 -12.3963 -12.3337 -12.3337 -12.3050 -12.3050 -12.2585 -12.2585 -12.0797 -12.0797 0.3305 0.3305 4.7879 4.7879 6.8756 6.8756 7.0590 7.0590 8.2044 8.2044 8.3448 8.3448 8.8466 8.8466 8.9273 8.9273 9.9438 9.9438 10.1889 10.1889 11.3860 11.3860 11.4682 11.4682 k = 0.1364 0.5000-0.0000 ( 3474 PWs) bands (ev): -32.7263 -32.7263 -32.6927 -32.6927 -32.6589 -32.6589 -13.8407 -13.8407 -13.7511 -13.7511 -13.6623 -13.6623 -12.5068 -12.5068 -12.4015 -12.4015 -12.3347 -12.3347 -12.3023 -12.3023 -12.2542 -12.2542 -12.0801 -12.0801 0.3521 0.3521 4.8031 4.8031 6.8846 6.8846 7.0261 7.0261 8.1544 8.1544 8.3183 8.3183 8.8196 8.8196 8.9183 8.9183 9.9885 9.9885 10.2191 10.2191 11.3580 11.3580 11.4677 11.4677 k = 0.1515 0.5000-0.0000 ( 3470 PWs) bands (ev): -32.7255 -32.7255 -32.6926 -32.6926 -32.6597 -32.6597 -13.8393 -13.8393 -13.7522 -13.7522 -13.6648 -13.6648 -12.5065 -12.5065 -12.4066 -12.4066 -12.3360 -12.3360 -12.2995 -12.2995 -12.2499 -12.2499 -12.0805 -12.0805 0.3759 0.3759 4.8199 4.8199 6.8921 6.8921 6.9906 6.9906 8.1032 8.1032 8.2914 8.2914 8.7900 8.7900 8.9087 8.9087 10.0362 10.0362 10.2526 10.2526 11.3299 11.3299 11.4667 11.4667 k = 0.1667 0.5000-0.0000 ( 3462 PWs) bands (ev): -32.7247 -32.7247 -32.6926 -32.6926 -32.6605 -32.6605 -13.8377 -13.8377 -13.7533 -13.7533 -13.6675 -13.6675 -12.5062 -12.5062 -12.4116 -12.4116 -12.3373 -12.3373 -12.2967 -12.2967 -12.2455 -12.2455 -12.0809 -12.0809 0.4016 0.4016 4.8382 4.8382 6.8970 6.8970 6.9530 6.9530 8.0525 8.0525 8.2644 8.2644 8.7584 8.7584 8.8986 8.8986 10.0864 10.0864 10.2891 10.2891 11.3022 11.3022 11.4647 11.4647 k = 0.1818 0.5000-0.0000 ( 3466 PWs) bands (ev): -32.7238 -32.7238 -32.6926 -32.6926 -32.6614 -32.6614 -13.8360 -13.8360 -13.7545 -13.7545 -13.6704 -13.6704 -12.5059 -12.5059 -12.4166 -12.4166 -12.3386 -12.3386 -12.2941 -12.2941 -12.2413 -12.2413 -12.0812 -12.0812 0.4292 0.4292 4.8581 4.8581 6.8974 6.8974 6.9139 6.9139 8.0045 8.0045 8.2375 8.2375 8.7251 8.7251 8.8880 8.8880 10.1386 10.1386 10.3287 10.3287 11.2754 11.2754 11.4616 11.4616 k = 0.1970 0.5000-0.0000 ( 3458 PWs) bands (ev): -32.7227 -32.7227 -32.6926 -32.6926 -32.6624 -32.6624 -13.8341 -13.8341 -13.7557 -13.7557 -13.6735 -13.6735 -12.5054 -12.5054 -12.4214 -12.4214 -12.3399 -12.3399 -12.2916 -12.2916 -12.2372 -12.2372 -12.0814 -12.0814 0.4584 0.4584 4.8795 4.8795 6.8710 6.8710 6.8949 6.8949 7.9613 7.9613 8.2108 8.2108 8.6905 8.6905 8.8770 8.8770 10.1925 10.1925 10.3711 10.3711 11.2497 11.2497 11.4573 11.4573 k = 0.2121 0.5000-0.0000 ( 3454 PWs) bands (ev): -32.7217 -32.7217 -32.6926 -32.6926 -32.6634 -32.6634 -13.8321 -13.8321 -13.7569 -13.7569 -13.6768 -13.6768 -12.5048 -12.5048 -12.4261 -12.4261 -12.3412 -12.3412 -12.2893 -12.2893 -12.2331 -12.2331 -12.0816 -12.0816 0.4891 0.4891 4.9023 4.9023 6.8287 6.8287 6.8839 6.8839 7.9247 7.9247 8.1846 8.1846 8.6549 8.6549 8.8657 8.8657 10.2476 10.2476 10.4162 10.4162 11.2252 11.2252 11.4514 11.4514 k = 0.2273 0.5000-0.0000 ( 3460 PWs) bands (ev): -32.7206 -32.7206 -32.6926 -32.6926 -32.6645 -32.6645 -13.8299 -13.8299 -13.7582 -13.7582 -13.6802 -13.6802 -12.5042 -12.5042 -12.4307 -12.4307 -12.3425 -12.3425 -12.2873 -12.2873 -12.2293 -12.2293 -12.0816 -12.0816 0.5209 0.5209 4.9263 4.9263 6.7850 6.7850 6.8656 6.8656 7.8965 7.8965 8.1590 8.1590 8.6188 8.6188 8.8542 8.8542 10.3036 10.3036 10.4639 10.4639 11.2020 11.2020 11.4440 11.4440 k = 0.2424 0.5000-0.0000 ( 3452 PWs) bands (ev): -32.7194 -32.7194 -32.6925 -32.6925 -32.6657 -32.6657 -13.8276 -13.8276 -13.7595 -13.7595 -13.6838 -13.6838 -12.5034 -12.5034 -12.4350 -12.4350 -12.3437 -12.3437 -12.2856 -12.2856 -12.2255 -12.2255 -12.0815 -12.0815 0.5538 0.5538 4.9516 4.9516 6.7404 6.7404 6.8391 6.8391 7.8779 7.8779 8.1342 8.1342 8.5825 8.5825 8.8425 8.8425 10.3601 10.3601 10.5140 10.5140 11.1803 11.1803 11.4349 11.4349 k = 0.2576 0.5000-0.0000 ( 3458 PWs) bands (ev): -32.7181 -32.7181 -32.6925 -32.6925 -32.6669 -32.6669 -13.8253 -13.8253 -13.7607 -13.7607 -13.6876 -13.6876 -12.5026 -12.5026 -12.4392 -12.4392 -12.3448 -12.3448 -12.2841 -12.2841 -12.2219 -12.2219 -12.0813 -12.0813 0.5874 0.5874 4.9780 4.9780 6.6953 6.6953 6.8046 6.8046 7.8692 7.8692 8.1103 8.1103 8.5464 8.5464 8.8308 8.8308 10.4168 10.4168 10.5662 10.5662 11.1601 11.1601 11.4240 11.4240 k = 0.2727 0.5000-0.0000 ( 3458 PWs) bands (ev): -32.7168 -32.7168 -32.6925 -32.6925 -32.6682 -32.6682 -13.8228 -13.8228 -13.7619 -13.7619 -13.6914 -13.6914 -12.5017 -12.5017 -12.4431 -12.4431 -12.3459 -12.3459 -12.2829 -12.2829 -12.2185 -12.2185 -12.0809 -12.0809 0.6215 0.6215 5.0053 5.0053 6.6499 6.6499 6.7627 6.7627 7.8700 7.8700 8.0874 8.0874 8.5108 8.5108 8.8192 8.8192 10.4734 10.4734 10.6204 10.6204 11.1413 11.1413 11.4113 11.4113 k = 0.2879 0.5000-0.0000 ( 3458 PWs) bands (ev): -32.7154 -32.7154 -32.6925 -32.6925 -32.6696 -32.6696 -13.8202 -13.8202 -13.7631 -13.7631 -13.6954 -13.6954 -12.5007 -12.5007 -12.4468 -12.4468 -12.3470 -12.3470 -12.2821 -12.2821 -12.2153 -12.2153 -12.0805 -12.0805 0.6557 0.6557 5.0334 5.0334 6.6045 6.6045 6.7148 6.7148 7.8794 7.8794 8.0657 8.0657 8.4761 8.4761 8.8078 8.8078 10.5293 10.5293 10.6764 10.6764 11.1241 11.1241 11.3968 11.3968 k = 0.3030 0.5000-0.0000 ( 3458 PWs) bands (ev): -32.7140 -32.7140 -32.6925 -32.6925 -32.6710 -32.6710 -13.8175 -13.8175 -13.7643 -13.7643 -13.6995 -13.6995 -12.4997 -12.4997 -12.4503 -12.4503 -12.3480 -12.3480 -12.2815 -12.2815 -12.2122 -12.2122 -12.0800 -12.0800 0.6898 0.6898 5.0623 5.0623 6.5593 6.5593 6.6626 6.6626 7.8962 7.8962 8.0453 8.0453 8.4425 8.4425 8.7967 8.7967 10.5844 10.5844 10.7338 10.7338 11.1083 11.1083 11.3806 11.3806 k = 0.3182 0.5000-0.0000 ( 3466 PWs) bands (ev): -32.7125 -32.7125 -32.6925 -32.6925 -32.6725 -32.6725 -13.8147 -13.8147 -13.7653 -13.7653 -13.7036 -13.7036 -12.4987 -12.4987 -12.4535 -12.4535 -12.3489 -12.3489 -12.2812 -12.2812 -12.2093 -12.2093 -12.0794 -12.0794 0.7234 0.7234 5.0916 5.0916 6.5146 6.5146 6.6075 6.6075 7.9187 7.9187 8.0262 8.0262 8.4103 8.4103 8.7859 8.7859 10.6381 10.6381 10.7924 10.7924 11.0940 11.0940 11.3626 11.3626 k = 0.3333 0.5000-0.0000 ( 3462 PWs) bands (ev): -32.7110 -32.7110 -32.6924 -32.6924 -32.6740 -32.6740 -13.8119 -13.8119 -13.7663 -13.7663 -13.7078 -13.7078 -12.4976 -12.4976 -12.4565 -12.4565 -12.3498 -12.3498 -12.2811 -12.2811 -12.2066 -12.2066 -12.0787 -12.0787 0.7561 0.7561 5.1211 5.1211 6.4706 6.4706 6.5514 6.5514 7.9452 7.9452 8.0091 8.0091 8.3798 8.3798 8.7756 8.7756 10.6900 10.6900 10.8518 10.8518 11.0811 11.0811 11.3428 11.3428 k = 0.3485 0.5000-0.0000 ( 3468 PWs) bands (ev): -32.7095 -32.7095 -32.6924 -32.6924 -32.6755 -32.6755 -13.8091 -13.8091 -13.7671 -13.7671 -13.7120 -13.7120 -12.4966 -12.4966 -12.4592 -12.4592 -12.3506 -12.3506 -12.2812 -12.2812 -12.2041 -12.2041 -12.0780 -12.0780 0.7877 0.7877 5.1507 5.1507 6.4277 6.4277 6.4956 6.4956 7.9713 7.9713 7.9968 7.9968 8.3512 8.3512 8.7659 8.7659 10.7397 10.7397 10.9114 10.9114 11.0696 11.0696 11.3211 11.3211 k = 0.3636 0.5000-0.0000 ( 3476 PWs) bands (ev): -32.7079 -32.7079 -32.6924 -32.6924 -32.6771 -32.6771 -13.8063 -13.8063 -13.7677 -13.7677 -13.7163 -13.7163 -12.4956 -12.4956 -12.4616 -12.4616 -12.3513 -12.3513 -12.2815 -12.2815 -12.2018 -12.2018 -12.0772 -12.0772 0.8177 0.8177 5.1799 5.1799 6.3861 6.3861 6.4417 6.4417 7.9722 7.9722 8.0130 8.0130 8.3247 8.3247 8.7568 8.7568 10.7867 10.7867 10.9705 10.9705 11.0598 11.0598 11.2975 11.2975 k = 0.3788 0.5000-0.0000 ( 3472 PWs) bands (ev): -32.7063 -32.7063 -32.6924 -32.6924 -32.6787 -32.6787 -13.8035 -13.8035 -13.7682 -13.7682 -13.7205 -13.7205 -12.4946 -12.4946 -12.4637 -12.4637 -12.3520 -12.3520 -12.2819 -12.2819 -12.1997 -12.1997 -12.0765 -12.0765 0.8458 0.8458 5.2084 5.2084 6.3463 6.3463 6.3906 6.3906 7.9602 7.9602 8.0441 8.0441 8.3005 8.3005 8.7485 8.7485 10.8306 10.8306 11.0255 11.0255 11.0545 11.0545 11.2719 11.2719 k = 0.3939 0.5000-0.0000 ( 3472 PWs) bands (ev): -32.7046 -32.7046 -32.6924 -32.6924 -32.6803 -32.6803 -13.8008 -13.8008 -13.7685 -13.7685 -13.7246 -13.7246 -12.4938 -12.4938 -12.4655 -12.4655 -12.3526 -12.3526 -12.2824 -12.2824 -12.1979 -12.1979 -12.0758 -12.0758 0.8717 0.8717 5.2358 5.2358 6.3085 6.3085 6.3437 6.3437 7.9486 7.9486 8.0758 8.0758 8.2788 8.2788 8.7409 8.7409 10.8706 10.8706 11.0387 11.0387 11.0904 11.0904 11.2446 11.2446 k = 0.4091 0.5000-0.0000 ( 3472 PWs) bands (ev): -32.7029 -32.7029 -32.6924 -32.6924 -32.6820 -32.6820 -13.7983 -13.7983 -13.7685 -13.7685 -13.7287 -13.7287 -12.4930 -12.4930 -12.4670 -12.4670 -12.3532 -12.3532 -12.2829 -12.2829 -12.1962 -12.1962 -12.0752 -12.0752 0.8949 0.8949 5.2615 5.2615 6.2733 6.2733 6.3017 6.3017 7.9383 7.9383 8.1060 8.1060 8.2598 8.2598 8.7343 8.7343 10.9064 10.9064 11.0333 11.0333 11.1429 11.1429 11.2167 11.2167 k = 0.4242 0.5000-0.0000 ( 3476 PWs) bands (ev): -32.7012 -32.7012 -32.6924 -32.6924 -32.6837 -32.6837 -13.7960 -13.7960 -13.7681 -13.7681 -13.7325 -13.7325 -12.4924 -12.4924 -12.4682 -12.4682 -12.3537 -12.3537 -12.2834 -12.2834 -12.1948 -12.1948 -12.0746 -12.0746 0.9152 0.9152 5.2851 5.2851 6.2412 6.2412 6.2655 6.2655 7.9294 7.9294 8.1336 8.1336 8.2436 8.2436 8.7285 8.7285 10.9371 10.9371 11.0281 11.0281 11.1817 11.1817 11.1999 11.1999 k = 0.4394 0.5000-0.0000 ( 3480 PWs) bands (ev): -32.6995 -32.6995 -32.6924 -32.6924 -32.6854 -32.6854 -13.7941 -13.7941 -13.7675 -13.7675 -13.7362 -13.7362 -12.4919 -12.4919 -12.4692 -12.4692 -12.3541 -12.3541 -12.2839 -12.2839 -12.1937 -12.1937 -12.0741 -12.0741 0.9322 0.9322 5.3057 5.3057 6.2132 6.2132 6.2354 6.2354 7.9221 7.9221 8.1575 8.1575 8.2304 8.2304 8.7238 8.7238 10.9619 10.9619 11.0244 11.0244 11.1615 11.1615 11.2387 11.2387 k = 0.4545 0.5000-0.0000 ( 3492 PWs) bands (ev): -32.6978 -32.6978 -32.6924 -32.6924 -32.6872 -32.6872 -13.7926 -13.7926 -13.7666 -13.7666 -13.7395 -13.7395 -12.4915 -12.4915 -12.4699 -12.4699 -12.3544 -12.3544 -12.2843 -12.2843 -12.1928 -12.1928 -12.0737 -12.0737 0.9457 0.9457 5.3227 5.3227 6.1901 6.1901 6.2117 6.2117 7.9164 7.9164 8.1765 8.1765 8.2205 8.2205 8.7200 8.7200 10.9798 10.9798 11.0228 11.0228 11.1407 11.1407 11.2735 11.2735 k = 0.4697 0.5000-0.0000 ( 3488 PWs) bands (ev): -32.6960 -32.6960 -32.6924 -32.6924 -32.6889 -32.6889 -13.7915 -13.7915 -13.7656 -13.7656 -13.7422 -13.7422 -12.4913 -12.4913 -12.4704 -12.4704 -12.3546 -12.3546 -12.2846 -12.2846 -12.1921 -12.1921 -12.0734 -12.0734 0.9555 0.9555 5.3355 5.3355 6.1729 6.1729 6.1946 6.1946 7.9123 7.9123 8.1894 8.1894 8.2147 8.2147 8.7173 8.7173 10.9899 10.9899 11.0241 11.0241 11.1252 11.1252 11.2964 11.2964 k = 0.4848 0.5000-0.0000 ( 3476 PWs) bands (ev): -32.6942 -32.6942 -32.6924 -32.6924 -32.6907 -32.6907 -13.7908 -13.7908 -13.7648 -13.7648 -13.7441 -13.7441 -12.4911 -12.4911 -12.4706 -12.4706 -12.3547 -12.3547 -12.2848 -12.2848 -12.1918 -12.1918 -12.0732 -12.0732 0.9615 0.9615 5.3435 5.3435 6.1624 6.1624 6.1841 6.1841 7.9099 7.9099 8.1950 8.1950 8.2135 8.2135 8.7157 8.7157 10.9938 10.9938 11.0268 11.0268 11.1158 11.1158 11.3066 11.3066 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7906 -13.7906 -13.7644 -13.7644 -13.7447 -13.7447 -12.4911 -12.4911 -12.4707 -12.4707 -12.3548 -12.3548 -12.2849 -12.2849 -12.1916 -12.1916 -12.0731 -12.0731 0.9635 0.9635 5.3462 5.3462 6.1589 6.1589 6.1807 6.1807 7.9091 7.9091 8.1960 8.1960 8.2141 8.2141 8.7152 8.7152 10.9946 10.9946 11.0280 11.0280 11.1127 11.1127 11.3089 11.3089 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7906 -13.7906 -13.7644 -13.7644 -13.7447 -13.7447 -12.4911 -12.4911 -12.4707 -12.4707 -12.3548 -12.3548 -12.2849 -12.2849 -12.1916 -12.1916 -12.0731 -12.0731 0.9635 0.9635 5.3462 5.3462 6.1589 6.1589 6.1807 6.1807 7.9091 7.9091 8.1960 8.1960 8.2141 8.2141 8.7152 8.7152 10.9946 10.9946 11.0280 11.0280 11.1127 11.1127 11.3089 11.3089 k = 0.4891 0.4891-0.0000 ( 3478 PWs) bands (ev): -32.6943 -32.6943 -32.6924 -32.6924 -32.6907 -32.6907 -13.7908 -13.7908 -13.7648 -13.7648 -13.7440 -13.7440 -12.4911 -12.4911 -12.4706 -12.4706 -12.3547 -12.3547 -12.2848 -12.2848 -12.1918 -12.1918 -12.0732 -12.0732 0.9614 0.9614 5.3434 5.3434 6.1625 6.1625 6.1843 6.1843 7.9099 7.9099 8.1952 8.1952 8.2133 8.2133 8.7157 8.7157 10.9937 10.9937 11.0268 11.0268 11.1158 11.1158 11.3068 11.3068 k = 0.4783 0.4783-0.0000 ( 3488 PWs) bands (ev): -32.6962 -32.6962 -32.6922 -32.6922 -32.6890 -32.6890 -13.7915 -13.7915 -13.7657 -13.7657 -13.7421 -13.7421 -12.4913 -12.4913 -12.4704 -12.4704 -12.3546 -12.3546 -12.2846 -12.2846 -12.1922 -12.1922 -12.0734 -12.0734 0.9553 0.9553 5.3352 5.3352 6.1723 6.1723 6.1961 6.1961 7.9124 7.9124 8.1912 8.1912 8.2127 8.2127 8.7174 8.7174 10.9891 10.9891 11.0246 11.0246 11.1239 11.1239 11.2998 11.2998 k = 0.4674 0.4674-0.0000 ( 3488 PWs) bands (ev): -32.6981 -32.6981 -32.6920 -32.6920 -32.6873 -32.6873 -13.7925 -13.7925 -13.7669 -13.7669 -13.7392 -13.7392 -12.4915 -12.4915 -12.4699 -12.4699 -12.3544 -12.3544 -12.2842 -12.2842 -12.1929 -12.1929 -12.0736 -12.0736 0.9451 0.9451 5.3220 5.3220 6.1866 6.1866 6.2172 6.2172 7.9166 7.9166 8.1822 8.1822 8.2146 8.2146 8.7202 8.7202 10.9769 10.9769 11.0251 11.0251 11.1314 11.1314 11.2907 11.2907 k = 0.4565 0.4565-0.0000 ( 3476 PWs) bands (ev): -32.7000 -32.7000 -32.6917 -32.6917 -32.6856 -32.6856 -13.7939 -13.7939 -13.7683 -13.7683 -13.7355 -13.7355 -12.4918 -12.4918 -12.4693 -12.4693 -12.3542 -12.3542 -12.2836 -12.2836 -12.1939 -12.1939 -12.0740 -12.0740 0.9310 0.9310 5.3044 5.3044 6.2047 6.2047 6.2478 6.2478 7.9225 7.9225 8.1685 8.1685 8.2191 8.2191 8.7241 8.7241 10.9561 10.9561 11.0292 11.0292 11.1260 11.1260 11.2920 11.2920 k = 0.4457 0.4457-0.0000 ( 3476 PWs) bands (ev): -32.7019 -32.7019 -32.6914 -32.6914 -32.6841 -32.6841 -13.7956 -13.7956 -13.7697 -13.7697 -13.7314 -13.7314 -12.4922 -12.4922 -12.4685 -12.4685 -12.3540 -12.3540 -12.2827 -12.2827 -12.1953 -12.1953 -12.0744 -12.0744 0.9130 0.9130 5.2829 5.2829 6.2266 6.2266 6.2867 6.2867 7.9300 7.9300 8.1514 8.1514 8.2257 8.2257 8.7291 8.7291 10.9278 10.9278 11.0360 11.0360 11.0975 11.0975 11.3148 11.3148 k = 0.4348 0.4348-0.0000 ( 3472 PWs) bands (ev): -32.7039 -32.7039 -32.6909 -32.6909 -32.6825 -32.6825 -13.7975 -13.7975 -13.7711 -13.7711 -13.7268 -13.7268 -12.4927 -12.4927 -12.4675 -12.4675 -12.3539 -12.3539 -12.2815 -12.2815 -12.1970 -12.1970 -12.0747 -12.0747 0.8914 0.8914 5.2582 5.2582 6.2527 6.2527 6.3329 6.3329 7.9392 7.9392 8.1320 8.1320 8.2342 8.2342 8.7353 8.7353 10.8933 10.8933 11.0447 11.0447 11.0504 11.0504 11.3488 11.3488 k = 0.4239 0.4239-0.0000 ( 3468 PWs) bands (ev): -32.7060 -32.7060 -32.6903 -32.6903 -32.6810 -32.6810 -13.7995 -13.7995 -13.7725 -13.7725 -13.7218 -13.7218 -12.4932 -12.4932 -12.4664 -12.4664 -12.3540 -12.3540 -12.2798 -12.2798 -12.1992 -12.1992 -12.0750 -12.0750 0.8663 0.8663 5.2306 5.2306 6.2830 6.2830 6.3854 6.3854 7.9499 7.9499 8.1114 8.1114 8.2443 8.2443 8.7425 8.7425 10.8536 10.8536 10.9921 10.9921 11.0550 11.0550 11.3652 11.3652 k = 0.4130 0.4130-0.0000 ( 3464 PWs) bands (ev): -32.7080 -32.7080 -32.6897 -32.6897 -32.6796 -32.6796 -13.8017 -13.8017 -13.7739 -13.7739 -13.7166 -13.7166 -12.4938 -12.4938 -12.4652 -12.4652 -12.3543 -12.3543 -12.2778 -12.2778 -12.2017 -12.2017 -12.0752 -12.0752 0.8379 0.8379 5.2006 5.2006 6.3176 6.3176 6.4437 6.4437 7.9622 7.9622 8.0905 8.0905 8.2562 8.2562 8.7508 8.7508 10.8092 10.8092 10.9272 10.9272 11.0668 11.0668 11.3753 11.3753 k = 0.4022 0.4022-0.0000 ( 3468 PWs) bands (ev): -32.7101 -32.7101 -32.6890 -32.6890 -32.6782 -32.6782 -13.8039 -13.8039 -13.7753 -13.7753 -13.7111 -13.7111 -12.4944 -12.4944 -12.4638 -12.4638 -12.3549 -12.3549 -12.2751 -12.2751 -12.2048 -12.2048 -12.0752 -12.0752 0.8064 0.8064 5.1684 5.1684 6.3564 6.3564 6.5069 6.5069 7.9759 7.9759 8.0703 8.0703 8.2696 8.2696 8.7601 8.7601 10.7610 10.7610 10.8581 10.8581 11.0800 11.0800 11.3852 11.3852 k = 0.3913 0.3913-0.0000 ( 3466 PWs) bands (ev): -32.7122 -32.7122 -32.6883 -32.6883 -32.6769 -32.6769 -13.8061 -13.8061 -13.7768 -13.7768 -13.7054 -13.7054 -12.4950 -12.4950 -12.4623 -12.4623 -12.3557 -12.3557 -12.2720 -12.2720 -12.2082 -12.2082 -12.0750 -12.0750 0.7721 0.7721 5.1343 5.1343 6.3993 6.3993 6.5747 6.5747 7.9908 7.9908 8.0519 8.0519 8.2847 8.2847 8.7706 8.7706 10.7095 10.7095 10.7865 10.7865 11.0944 11.0944 11.3955 11.3955 k = 0.3804 0.3804-0.0000 ( 3468 PWs) bands (ev): -32.7144 -32.7144 -32.6875 -32.6875 -32.6756 -32.6756 -13.8083 -13.8083 -13.7784 -13.7784 -13.6995 -13.6995 -12.4957 -12.4957 -12.4608 -12.4608 -12.3569 -12.3569 -12.2683 -12.2683 -12.2121 -12.2121 -12.0745 -12.0745 0.7353 0.7353 5.0984 5.0984 6.4460 6.4460 6.6466 6.6466 8.0056 8.0056 8.0372 8.0372 8.3013 8.3013 8.7820 8.7820 10.6551 10.6551 10.7133 10.7133 11.1100 11.1100 11.4060 11.4060 k = 0.3696 0.3696-0.0000 ( 3464 PWs) bands (ev): -32.7165 -32.7165 -32.6866 -32.6866 -32.6744 -32.6744 -13.8106 -13.8106 -13.7801 -13.7801 -13.6934 -13.6934 -12.4964 -12.4964 -12.4592 -12.4592 -12.3584 -12.3584 -12.2641 -12.2641 -12.2163 -12.2163 -12.0739 -12.0739 0.6961 0.6961 5.0608 5.0608 6.4966 6.4966 6.7222 6.7222 8.0117 8.0117 8.0353 8.0353 8.3196 8.3196 8.7944 8.7944 10.5982 10.5982 10.6396 10.6396 11.1268 11.1268 11.4165 11.4165 k = 0.3587 0.3587-0.0000 ( 3464 PWs) bands (ev): -32.7187 -32.7187 -32.6857 -32.6857 -32.6732 -32.6732 -13.8128 -13.8128 -13.7819 -13.7819 -13.6872 -13.6872 -12.4971 -12.4971 -12.4576 -12.4576 -12.3602 -12.3602 -12.2596 -12.2596 -12.2206 -12.2206 -12.0730 -12.0730 0.6549 0.6549 5.0216 5.0216 6.5509 6.5509 6.8011 6.8011 8.0049 8.0049 8.0510 8.0510 8.3394 8.3394 8.8078 8.8078 10.5389 10.5389 10.5662 10.5662 11.1445 11.1445 11.4267 11.4267 k = 0.3478 0.3478-0.0000 ( 3463 PWs) bands (ev): -32.7209 -32.7209 -32.6847 -32.6847 -32.6720 -32.6720 -13.8150 -13.8150 -13.7837 -13.7837 -13.6809 -13.6809 -12.4979 -12.4979 -12.4559 -12.4559 -12.3622 -12.3622 -12.2549 -12.2549 -12.2248 -12.2248 -12.0718 -12.0718 0.6119 0.6119 4.9809 4.9809 6.6086 6.6086 6.8830 6.8830 7.9985 7.9985 8.0714 8.0714 8.3607 8.3607 8.8221 8.8221 10.4759 10.4759 10.4953 10.4953 11.1631 11.1631 11.4364 11.4364 k = 0.3370 0.3370-0.0000 ( 3461 PWs) bands (ev): -32.7230 -32.7230 -32.6836 -32.6836 -32.6709 -32.6709 -13.8171 -13.8171 -13.7857 -13.7857 -13.6745 -13.6745 -12.4986 -12.4986 -12.4543 -12.4543 -12.3646 -12.3646 -12.2507 -12.2507 -12.2282 -12.2282 -12.0705 -12.0705 0.5673 0.5673 4.9389 4.9389 6.6695 6.6695 6.9676 6.9676 7.9955 7.9955 8.0937 8.0937 8.3837 8.3837 8.8373 8.8373 10.4077 10.4077 10.4292 10.4292 11.1824 11.1824 11.4453 11.4453 k = 0.3261 0.3261-0.0000 ( 3459 PWs) bands (ev): -32.7252 -32.7252 -32.6825 -32.6825 -32.6698 -32.6698 -13.8193 -13.8193 -13.7878 -13.7878 -13.6681 -13.6681 -12.4994 -12.4994 -12.4527 -12.4527 -12.3672 -12.3672 -12.2486 -12.2486 -12.2291 -12.2291 -12.0689 -12.0689 0.5215 0.5215 4.8956 4.8956 6.7336 6.7336 7.0546 7.0546 7.9965 7.9965 8.1175 8.1175 8.4082 8.4082 8.8533 8.8533 10.3364 10.3364 10.3664 10.3664 11.2024 11.2024 11.4528 11.4528 k = 0.3152 0.3152-0.0000 ( 3471 PWs) bands (ev): -32.7274 -32.7274 -32.6814 -32.6814 -32.6688 -32.6688 -13.8214 -13.8214 -13.7901 -13.7901 -13.6616 -13.6616 -12.5002 -12.5002 -12.4512 -12.4512 -12.3700 -12.3700 -12.2501 -12.2501 -12.2261 -12.2261 -12.0672 -12.0672 0.4747 0.4747 4.8512 4.8512 6.8004 6.8004 7.1436 7.1436 8.0017 8.0017 8.1427 8.1427 8.4342 8.4342 8.8701 8.8701 10.2647 10.2647 10.3048 10.3048 11.2227 11.2227 11.4588 11.4588 k = 0.3043 0.3043-0.0000 ( 3471 PWs) bands (ev): -32.7296 -32.7296 -32.6802 -32.6802 -32.6679 -32.6679 -13.8234 -13.8234 -13.7924 -13.7924 -13.6552 -13.6552 -12.5011 -12.5011 -12.4498 -12.4498 -12.3730 -12.3730 -12.2538 -12.2538 -12.2203 -12.2203 -12.0653 -12.0653 0.4271 0.4271 4.8059 4.8059 6.8699 6.8699 7.2342 7.2342 8.0114 8.0114 8.1692 8.1692 8.4617 8.4617 8.8875 8.8875 10.1937 10.1937 10.2437 10.2437 11.2433 11.2433 11.4629 11.4629 k = 0.2935 0.2935-0.0000 ( 3475 PWs) bands (ev): -32.7317 -32.7317 -32.6790 -32.6790 -32.6670 -32.6670 -13.8255 -13.8255 -13.7949 -13.7949 -13.6488 -13.6488 -12.5020 -12.5020 -12.4485 -12.4485 -12.3762 -12.3762 -12.2584 -12.2584 -12.2131 -12.2131 -12.0633 -12.0633 0.3789 0.3789 4.7598 4.7598 6.9417 6.9417 7.3262 7.3262 8.0256 8.0256 8.1968 8.1968 8.4906 8.4906 8.9056 8.9056 10.1238 10.1238 10.1831 10.1831 11.2638 11.2638 11.4647 11.4647 k = 0.2826 0.2826-0.0000 ( 3475 PWs) bands (ev): -32.7339 -32.7339 -32.6778 -32.6778 -32.6661 -32.6661 -13.8274 -13.8274 -13.7974 -13.7974 -13.6424 -13.6424 -12.5029 -12.5029 -12.4474 -12.4474 -12.3795 -12.3795 -12.2631 -12.2631 -12.2052 -12.2052 -12.0612 -12.0612 0.3304 0.3304 4.7133 4.7133 7.0155 7.0155 7.4192 7.4192 8.0443 8.0443 8.2256 8.2256 8.5210 8.5210 8.9242 8.9242 10.0553 10.0553 10.1233 10.1233 11.2841 11.2841 11.4639 11.4639 k = 0.2717 0.2717-0.0000 ( 3479 PWs) bands (ev): -32.7360 -32.7360 -32.6766 -32.6766 -32.6653 -32.6653 -13.8294 -13.8294 -13.8001 -13.8001 -13.6362 -13.6362 -12.5039 -12.5039 -12.4464 -12.4464 -12.3831 -12.3831 -12.2678 -12.2678 -12.1967 -12.1967 -12.0590 -12.0590 0.2819 0.2819 4.6663 4.6663 7.0912 7.0912 7.5126 7.5126 8.0676 8.0676 8.2555 8.2555 8.5527 8.5527 8.9432 8.9432 9.9885 9.9885 10.0644 10.0644 11.3038 11.3038 11.4605 11.4605 k = 0.2609 0.2609-0.0000 ( 3475 PWs) bands (ev): -32.7380 -32.7380 -32.6754 -32.6754 -32.6645 -32.6645 -13.8313 -13.8313 -13.8028 -13.8028 -13.6300 -13.6300 -12.5050 -12.5050 -12.4456 -12.4456 -12.3868 -12.3868 -12.2721 -12.2721 -12.1879 -12.1879 -12.0568 -12.0568 0.2335 0.2335 4.6193 4.6193 7.1685 7.1685 7.6059 7.6059 8.0954 8.0954 8.2864 8.2864 8.5857 8.5857 8.9626 8.9626 9.9234 9.9234 10.0065 10.0065 11.3225 11.3225 11.4541 11.4541 k = 0.2500 0.2500-0.0000 ( 3487 PWs) bands (ev): -32.7401 -32.7401 -32.6741 -32.6741 -32.6637 -32.6637 -13.8331 -13.8331 -13.8057 -13.8057 -13.6240 -13.6240 -12.5063 -12.5063 -12.4450 -12.4450 -12.3906 -12.3906 -12.2760 -12.2760 -12.1787 -12.1787 -12.0545 -12.0545 0.1854 0.1854 4.5723 4.5723 7.2470 7.2470 7.6984 7.6984 8.1278 8.1278 8.3182 8.3182 8.6198 8.6198 8.9822 8.9822 9.8603 9.8603 9.9499 9.9499 11.3397 11.3397 11.4448 11.4448 k = 0.2391 0.2391-0.0000 ( 3479 PWs) bands (ev): -32.7421 -32.7421 -32.6729 -32.6729 -32.6630 -32.6630 -13.8349 -13.8349 -13.8086 -13.8086 -13.6181 -13.6181 -12.5076 -12.5076 -12.4445 -12.4445 -12.3946 -12.3946 -12.2795 -12.2795 -12.1693 -12.1693 -12.0522 -12.0522 0.1379 0.1379 4.5256 4.5256 7.3264 7.3264 7.7894 7.7894 8.1652 8.1652 8.3510 8.3510 8.6550 8.6550 9.0020 9.0020 9.7992 9.7992 9.8947 9.8947 11.3538 11.3538 11.4323 11.4323 k = 0.2283 0.2283-0.0000 ( 3471 PWs) bands (ev): -32.7440 -32.7440 -32.6716 -32.6716 -32.6623 -32.6623 -13.8366 -13.8366 -13.8116 -13.8116 -13.6124 -13.6124 -12.5091 -12.5091 -12.4443 -12.4443 -12.3986 -12.3986 -12.2825 -12.2825 -12.1598 -12.1598 -12.0499 -12.0499 0.0912 0.0912 4.4795 4.4795 7.4065 7.4065 7.8776 7.8776 8.2077 8.2077 8.3846 8.3846 8.6909 8.6909 9.0217 9.0217 9.7403 9.7403 9.8410 9.8410 11.3572 11.3572 11.4087 11.4087 k = 0.2174 0.2174-0.0000 ( 3473 PWs) bands (ev): -32.7459 -32.7459 -32.6704 -32.6704 -32.6616 -32.6616 -13.8383 -13.8383 -13.8146 -13.8146 -13.6069 -13.6069 -12.5107 -12.5107 -12.4442 -12.4442 -12.4026 -12.4026 -12.2849 -12.2849 -12.1501 -12.1501 -12.0477 -12.0477 0.0453 0.0453 4.4341 4.4341 7.4870 7.4870 7.9620 7.9620 8.2557 8.2557 8.4189 8.4189 8.7274 8.7274 9.0414 9.0414 9.6838 9.6838 9.7890 9.7890 11.3129 11.3129 11.3879 11.3879 k = 0.2065 0.2065-0.0000 ( 3485 PWs) bands (ev): -32.7478 -32.7478 -32.6692 -32.6692 -32.6611 -32.6611 -13.8399 -13.8399 -13.8177 -13.8177 -13.6016 -13.6016 -12.5124 -12.5124 -12.4442 -12.4442 -12.4067 -12.4067 -12.2869 -12.2869 -12.1404 -12.1404 -12.0454 -12.0454 0.0006 0.0006 4.3897 4.3897 7.5676 7.5676 8.0412 8.0412 8.3098 8.3098 8.4539 8.4539 8.7643 8.7643 9.0607 9.0607 9.6297 9.6297 9.7388 9.7388 11.2460 11.2460 11.3748 11.3748 k = 0.1957 0.1957-0.0000 ( 3485 PWs) bands (ev): -32.7496 -32.7496 -32.6680 -32.6680 -32.6605 -32.6605 -13.8415 -13.8415 -13.8207 -13.8207 -13.5966 -13.5966 -12.5143 -12.5143 -12.4443 -12.4443 -12.4107 -12.4107 -12.2884 -12.2884 -12.1306 -12.1306 -12.0432 -12.0432 -0.0429 -0.0429 4.3464 4.3464 7.6480 7.6480 8.1143 8.1143 8.3696 8.3696 8.4895 8.4895 8.8011 8.8011 9.0798 9.0798 9.5784 9.5784 9.6905 9.6905 11.1805 11.1805 11.3547 11.3547 k = 0.1848 0.1848-0.0000 ( 3481 PWs) bands (ev): -32.7513 -32.7513 -32.6668 -32.6668 -32.6600 -32.6600 -13.8430 -13.8430 -13.8238 -13.8238 -13.5917 -13.5917 -12.5163 -12.5163 -12.4446 -12.4446 -12.4146 -12.4146 -12.2895 -12.2895 -12.1210 -12.1210 -12.0411 -12.0411 -0.0850 -0.0850 4.3045 4.3045 7.7280 7.7280 8.1812 8.1812 8.4343 8.4343 8.5257 8.5257 8.8376 8.8376 9.0983 9.0983 9.5299 9.5299 9.6443 9.6443 11.1198 11.1198 11.3321 11.3321 k = 0.1739 0.1739-0.0000 ( 3489 PWs) bands (ev): -32.7530 -32.7530 -32.6657 -32.6657 -32.6595 -32.6595 -13.8444 -13.8444 -13.8268 -13.8268 -13.5872 -13.5872 -12.5185 -12.5185 -12.4449 -12.4449 -12.4184 -12.4184 -12.2902 -12.2902 -12.1115 -12.1115 -12.0390 -12.0390 -0.1255 -0.1255 4.2640 4.2640 7.8072 7.8072 8.2424 8.2424 8.5019 8.5019 8.5627 8.5627 8.8731 8.8731 9.1162 9.1162 9.4845 9.4845 9.6002 9.6002 11.0654 11.0654 11.3084 11.3084 k = 0.1630 0.1630-0.0000 ( 3489 PWs) bands (ev): -32.7546 -32.7546 -32.6646 -32.6646 -32.6590 -32.6590 -13.8458 -13.8458 -13.8298 -13.8298 -13.5828 -13.5828 -12.5208 -12.5208 -12.4452 -12.4452 -12.4220 -12.4220 -12.2906 -12.2906 -12.1021 -12.1021 -12.0370 -12.0370 -0.1643 -0.1643 4.2253 4.2253 7.8855 7.8855 8.2989 8.2989 8.5685 8.5685 8.6017 8.6017 8.9072 8.9072 9.1333 9.1333 9.4425 9.4425 9.5584 9.5584 11.0181 11.0181 11.2844 11.2844 k = 0.1522 0.1522-0.0000 ( 3497 PWs) bands (ev): -32.7561 -32.7561 -32.6636 -32.6636 -32.6586 -32.6586 -13.8471 -13.8471 -13.8328 -13.8328 -13.5787 -13.5787 -12.5232 -12.5232 -12.4456 -12.4456 -12.4254 -12.4254 -12.2907 -12.2907 -12.0930 -12.0930 -12.0351 -12.0351 -0.2013 -0.2013 4.1883 4.1883 7.9626 7.9626 8.3517 8.3517 8.6241 8.6241 8.6503 8.6503 8.9393 8.9393 9.1495 9.1495 9.4041 9.4041 9.5189 9.5189 10.9789 10.9789 11.2609 11.2609 k = 0.1413 0.1413-0.0000 ( 3493 PWs) bands (ev): -32.7575 -32.7575 -32.6626 -32.6626 -32.6582 -32.6582 -13.8483 -13.8483 -13.8356 -13.8356 -13.5749 -13.5749 -12.5256 -12.5256 -12.4459 -12.4459 -12.4286 -12.4286 -12.2906 -12.2906 -12.0842 -12.0842 -12.0333 -12.0333 -0.2362 -0.2362 4.1533 4.1533 8.0384 8.0384 8.4014 8.4014 8.6647 8.6647 8.7100 8.7100 8.9688 8.9688 9.1647 9.1647 9.3697 9.3697 9.4818 9.4818 10.9486 10.9486 11.2385 11.2385 k = 0.1304 0.1304-0.0000 ( 3495 PWs) bands (ev): -32.7588 -32.7588 -32.6616 -32.6616 -32.6578 -32.6578 -13.8494 -13.8494 -13.8383 -13.8383 -13.5714 -13.5714 -12.5281 -12.5281 -12.4463 -12.4463 -12.4315 -12.4315 -12.2903 -12.2903 -12.0758 -12.0758 -12.0316 -12.0316 -0.2691 -0.2691 4.1205 4.1205 8.1126 8.1126 8.4485 8.4485 8.7012 8.7012 8.7677 8.7677 8.9951 8.9951 9.1787 9.1787 9.3397 9.3397 9.4471 9.4471 10.9276 10.9276 11.2178 11.2178 k = 0.1196 0.1196-0.0000 ( 3493 PWs) bands (ev): -32.7600 -32.7600 -32.6608 -32.6608 -32.6575 -32.6575 -13.8505 -13.8505 -13.8410 -13.8410 -13.5682 -13.5682 -12.5305 -12.5305 -12.4466 -12.4466 -12.4342 -12.4342 -12.2899 -12.2899 -12.0677 -12.0677 -12.0300 -12.0300 -0.2998 -0.2998 4.0898 4.0898 8.1851 8.1851 8.4930 8.4930 8.7361 8.7361 8.8193 8.8193 9.0175 9.0175 9.1914 9.1914 9.3144 9.3144 9.4150 9.4150 10.9164 10.9164 11.1994 11.1994 k = 0.1087 0.1087-0.0000 ( 3495 PWs) bands (ev): -32.7611 -32.7611 -32.6599 -32.6599 -32.6572 -32.6572 -13.8515 -13.8515 -13.8434 -13.8434 -13.5652 -13.5652 -12.5329 -12.5329 -12.4469 -12.4469 -12.4367 -12.4367 -12.2894 -12.2894 -12.0602 -12.0602 -12.0286 -12.0286 -0.3281 -0.3281 4.0615 4.0615 8.2556 8.2556 8.5348 8.5348 8.7696 8.7696 8.8630 8.8630 9.0356 9.0356 9.2027 9.2027 9.2942 9.2942 9.3855 9.3855 10.9152 10.9152 11.1835 11.1835 k = 0.0978 0.0978-0.0000 ( 3491 PWs) bands (ev): -32.7622 -32.7622 -32.6592 -32.6592 -32.6570 -32.6570 -13.8524 -13.8524 -13.8457 -13.8457 -13.5625 -13.5625 -12.5352 -12.5352 -12.4472 -12.4472 -12.4389 -12.4389 -12.2888 -12.2888 -12.0532 -12.0532 -12.0272 -12.0272 -0.3541 -0.3541 4.0355 4.0355 8.3240 8.3240 8.5739 8.5739 8.8013 8.8013 8.8982 8.8982 9.0490 9.0490 9.2126 9.2126 9.2789 9.2789 9.3587 9.3587 10.9236 10.9236 11.1705 11.1705 k = 0.0870 0.0870-0.0000 ( 3481 PWs) bands (ev): -32.7631 -32.7631 -32.6585 -32.6585 -32.6567 -32.6567 -13.8532 -13.8532 -13.8478 -13.8478 -13.5601 -13.5601 -12.5374 -12.5374 -12.4474 -12.4474 -12.4409 -12.4409 -12.2882 -12.2882 -12.0468 -12.0468 -12.0260 -12.0260 -0.3775 -0.3775 4.0121 4.0121 8.3901 8.3901 8.6097 8.6097 8.8308 8.8308 8.9250 8.9250 9.0577 9.0577 9.2208 9.2208 9.2681 9.2681 9.3345 9.3345 10.9407 10.9407 11.1605 11.1605 k = 0.0761 0.0761-0.0000 ( 3469 PWs) bands (ev): -32.7639 -32.7639 -32.6578 -32.6578 -32.6564 -32.6564 -13.8539 -13.8539 -13.8497 -13.8497 -13.5580 -13.5580 -12.5393 -12.5393 -12.4476 -12.4476 -12.4427 -12.4427 -12.2876 -12.2876 -12.0410 -12.0410 -12.0249 -12.0249 -0.3984 -0.3984 3.9913 3.9913 8.4535 8.4535 8.6420 8.6420 8.8574 8.8574 8.9445 8.9445 9.0619 9.0619 9.2275 9.2275 9.2609 9.2609 9.3131 9.3131 10.9652 10.9652 11.1534 11.1534 k = 0.0652 0.0652-0.0000 ( 3459 PWs) bands (ev): -32.7647 -32.7647 -32.6573 -32.6573 -32.6562 -32.6562 -13.8545 -13.8545 -13.8514 -13.8514 -13.5561 -13.5561 -12.5411 -12.5411 -12.4478 -12.4478 -12.4441 -12.4441 -12.2871 -12.2871 -12.0359 -12.0359 -12.0240 -12.0240 -0.4166 -0.4166 3.9731 3.9731 8.5139 8.5139 8.6704 8.6704 8.8806 8.8806 8.9577 8.9577 9.0623 9.0623 9.2327 9.2327 9.2561 9.2561 9.2945 9.2945 10.9948 10.9948 11.1489 11.1489 k = 0.0543 0.0543-0.0000 ( 3463 PWs) bands (ev): -32.7653 -32.7653 -32.6568 -32.6568 -32.6561 -32.6561 -13.8551 -13.8551 -13.8529 -13.8529 -13.5546 -13.5546 -12.5427 -12.5427 -12.4480 -12.4480 -12.4454 -12.4454 -12.2866 -12.2866 -12.0315 -12.0315 -12.0232 -12.0232 -0.4322 -0.4322 3.9576 3.9576 8.5707 8.5707 8.6944 8.6944 8.8999 8.8999 8.9656 8.9656 9.0601 9.0601 9.2364 9.2364 9.2527 9.2527 9.2787 9.2787 11.0267 11.0267 11.1470 11.1470 k = 0.0435 0.0435-0.0000 ( 3447 PWs) bands (ev): -32.7658 -32.7658 -32.6564 -32.6564 -32.6559 -32.6559 -13.8555 -13.8555 -13.8541 -13.8541 -13.5533 -13.5533 -12.5440 -12.5440 -12.4481 -12.4481 -12.4464 -12.4464 -12.2861 -12.2861 -12.0279 -12.0279 -12.0225 -12.0225 -0.4449 -0.4449 3.9448 3.9448 8.6233 8.6233 8.7139 8.7139 8.9150 8.9150 8.9678 8.9678 9.0575 9.0575 9.2388 9.2388 9.2500 9.2500 9.2658 9.2658 11.0570 11.0570 11.1478 11.1478 k = 0.0326 0.0326-0.0000 ( 3435 PWs) bands (ev): -32.7662 -32.7662 -32.6561 -32.6561 -32.6558 -32.6558 -13.8558 -13.8558 -13.8550 -13.8550 -13.5523 -13.5523 -12.5451 -12.5451 -12.4482 -12.4482 -12.4472 -12.4472 -12.2858 -12.2858 -12.0251 -12.0251 -12.0220 -12.0220 -0.4549 -0.4549 3.9349 3.9349 8.6703 8.6703 8.7287 8.7287 8.9262 8.9262 8.9637 8.9637 9.0565 9.0565 9.2400 9.2400 9.2475 9.2475 9.2558 9.2558 11.0808 11.0808 11.1525 11.1525 k = 0.0217 0.0217-0.0000 ( 3425 PWs) bands (ev): -32.7665 -32.7665 -32.6558 -32.6558 -32.6557 -32.6557 -13.8561 -13.8561 -13.8557 -13.8557 -13.5516 -13.5516 -12.5458 -12.5458 -12.4482 -12.4482 -12.4478 -12.4478 -12.2855 -12.2855 -12.0230 -12.0230 -12.0217 -12.0217 -0.4621 -0.4621 3.9278 3.9278 8.7095 8.7095 8.7390 8.7390 8.9339 8.9339 8.9545 8.9545 9.0575 9.0575 9.2403 9.2403 9.2456 9.2456 9.2489 9.2489 11.0944 11.0944 11.1613 11.1613 k = 0.0109 0.0109-0.0000 ( 3429 PWs) bands (ev): -32.7667 -32.7667 -32.6557 -32.6557 -32.6557 -32.6557 -13.8562 -13.8562 -13.8561 -13.8561 -13.5512 -13.5512 -12.5463 -12.5463 -12.4482 -12.4482 -12.4481 -12.4481 -12.2854 -12.2854 -12.0218 -12.0218 -12.0214 -12.0214 -0.4664 -0.4664 3.9235 3.9235 8.7369 8.7369 8.7451 8.7451 8.9385 8.9385 8.9444 8.9444 9.0591 9.0591 9.2397 9.2397 9.2445 9.2445 9.2452 9.2452 11.0997 11.0997 11.1703 11.1703 k = 0.0000 0.0000 0.0000 ( 3431 PWs) bands (ev): -32.7667 -32.7667 -32.6556 -32.6556 -32.6556 -32.6556 -13.8563 -13.8563 -13.8563 -13.8563 -13.5510 -13.5510 -12.5464 -12.5464 -12.4483 -12.4483 -12.4483 -12.4483 -12.2853 -12.2853 -12.0214 -12.0214 -12.0214 -12.0214 -0.4678 -0.4678 3.9220 3.9220 8.7471 8.7471 8.7471 8.7471 8.9400 8.9400 8.9400 8.9400 9.0598 9.0598 9.2392 9.2392 9.2441 9.2441 9.2441 9.2441 11.1009 11.1009 11.1740 11.1740 k = 0.0000 0.0000 0.0000 ( 3431 PWs) bands (ev): -32.7667 -32.7667 -32.6556 -32.6556 -32.6556 -32.6556 -13.8563 -13.8563 -13.8563 -13.8563 -13.5510 -13.5510 -12.5464 -12.5464 -12.4483 -12.4483 -12.4483 -12.4483 -12.2853 -12.2853 -12.0214 -12.0214 -12.0214 -12.0214 -0.4678 -0.4678 3.9220 3.9220 8.7471 8.7471 8.7471 8.7471 8.9400 8.9400 8.9400 8.9400 9.0598 9.0598 9.2392 9.2392 9.2441 9.2441 9.2441 9.2441 11.1009 11.1009 11.1740 11.1740 k = 0.0089 0.0089 0.0089 ( 3428 PWs) bands (ev): -32.7667 -32.7667 -32.6557 -32.6557 -32.6557 -32.6557 -13.8562 -13.8562 -13.8562 -13.8562 -13.5512 -13.5512 -12.5463 -12.5463 -12.4482 -12.4482 -12.4481 -12.4481 -12.2854 -12.2854 -12.0218 -12.0218 -12.0214 -12.0214 -0.4664 -0.4664 3.9235 3.9235 8.7398 8.7398 8.7419 8.7419 8.9388 8.9388 8.9442 8.9442 9.0590 9.0590 9.2397 9.2397 9.2445 9.2445 9.2452 9.2452 11.0998 11.0998 11.1708 11.1708 k = 0.0179 0.0179 0.0179 ( 3425 PWs) bands (ev): -32.7665 -32.7665 -32.6558 -32.6558 -32.6558 -32.6558 -13.8560 -13.8560 -13.8558 -13.8558 -13.5516 -13.5516 -12.5458 -12.5458 -12.4482 -12.4482 -12.4478 -12.4478 -12.2855 -12.2855 -12.0231 -12.0231 -12.0216 -12.0216 -0.4620 -0.4620 3.9278 3.9278 8.7198 8.7198 8.7273 8.7273 8.9344 8.9344 8.9551 8.9551 9.0572 9.0572 9.2394 9.2394 9.2471 9.2471 9.2486 9.2486 11.0953 11.0953 11.1628 11.1628 k = 0.0268 0.0268 0.0268 ( 3437 PWs) bands (ev): -32.7662 -32.7662 -32.6559 -32.6559 -32.6559 -32.6559 -13.8557 -13.8557 -13.8552 -13.8552 -13.5523 -13.5523 -12.5450 -12.5450 -12.4482 -12.4482 -12.4472 -12.4472 -12.2858 -12.2858 -12.0252 -12.0252 -12.0219 -12.0219 -0.4548 -0.4548 3.9350 3.9350 8.6907 8.6907 8.7046 8.7046 8.9248 8.9248 8.9688 8.9688 9.0550 9.0550 9.2363 9.2363 9.2533 9.2533 9.2544 9.2544 11.0848 11.0848 11.1548 11.1548 k = 0.0357 0.0357 0.0357 ( 3446 PWs) bands (ev): -32.7658 -32.7658 -32.6562 -32.6562 -32.6562 -32.6562 -13.8553 -13.8553 -13.8543 -13.8543 -13.5533 -13.5533 -12.5440 -12.5440 -12.4481 -12.4481 -12.4464 -12.4464 -12.2861 -12.2861 -12.0282 -12.0282 -12.0223 -12.0223 -0.4446 -0.4446 3.9451 3.9451 8.6552 8.6552 8.6755 8.6755 8.9087 8.9087 8.9821 8.9821 9.0526 9.0526 9.2298 9.2298 9.2631 9.2631 9.2631 9.2631 11.0664 11.0664 11.1514 11.1514 k = 0.0446 0.0446 0.0446 ( 3458 PWs) bands (ev): -32.7653 -32.7653 -32.6564 -32.6564 -32.6564 -32.6564 -13.8547 -13.8547 -13.8532 -13.8532 -13.5546 -13.5546 -12.5427 -12.5427 -12.4480 -12.4480 -12.4454 -12.4454 -12.2865 -12.2865 -12.0320 -12.0320 -12.0229 -12.0229 -0.4317 -0.4317 3.9580 3.9580 8.6153 8.6153 8.6413 8.6413 8.8860 8.8860 8.9929 8.9929 9.0494 9.0494 9.2189 9.2189 9.2752 9.2752 9.2764 9.2764 11.0423 11.0423 11.1537 11.1537 k = 0.0536 0.0536 0.0536 ( 3458 PWs) bands (ev): -32.7646 -32.7646 -32.6568 -32.6568 -32.6568 -32.6568 -13.8540 -13.8540 -13.8519 -13.8519 -13.5562 -13.5562 -12.5411 -12.5411 -12.4479 -12.4479 -12.4441 -12.4441 -12.2870 -12.2870 -12.0366 -12.0366 -12.0235 -12.0235 -0.4159 -0.4159 3.9737 3.9737 8.5718 8.5718 8.6029 8.6029 8.8573 8.8573 9.0000 9.0000 9.0444 9.0444 9.2027 9.2027 9.2908 9.2908 9.2933 9.2933 11.0167 11.0167 11.1606 11.1606 k = 0.0625 0.0625 0.0625 ( 3470 PWs) bands (ev): -32.7639 -32.7639 -32.6572 -32.6572 -32.6572 -32.6572 -13.8533 -13.8533 -13.8503 -13.8503 -13.5581 -13.5581 -12.5393 -12.5393 -12.4477 -12.4477 -12.4426 -12.4426 -12.2875 -12.2875 -12.0419 -12.0419 -12.0243 -12.0243 -0.3973 -0.3973 3.9921 3.9921 8.5253 8.5253 8.5609 8.5609 8.8234 8.8234 9.0027 9.0027 9.0367 9.0367 9.1806 9.1806 9.3102 9.3102 9.3137 9.3137 10.9932 10.9932 11.1713 11.1713 k = 0.0714 0.0714 0.0714 ( 3473 PWs) bands (ev): -32.7631 -32.7631 -32.6576 -32.6576 -32.6576 -32.6576 -13.8524 -13.8524 -13.8486 -13.8486 -13.5602 -13.5602 -12.5373 -12.5373 -12.4475 -12.4475 -12.4408 -12.4408 -12.2880 -12.2880 -12.0480 -12.0480 -12.0251 -12.0251 -0.3760 -0.3760 4.0133 4.0133 8.4763 8.4763 8.5158 8.5158 8.7846 8.7846 9.0011 9.0011 9.0261 9.0261 9.1522 9.1522 9.3332 9.3332 9.3374 9.3374 10.9745 10.9745 11.1855 11.1855 k = 0.0804 0.0804 0.0804 ( 3482 PWs) bands (ev): -32.7621 -32.7621 -32.6581 -32.6581 -32.6581 -32.6581 -13.8514 -13.8514 -13.8466 -13.8466 -13.5627 -13.5627 -12.5352 -12.5352 -12.4473 -12.4473 -12.4389 -12.4389 -12.2885 -12.2885 -12.0547 -12.0547 -12.0260 -12.0260 -0.3520 -0.3520 4.0370 4.0370 8.4249 8.4249 8.4678 8.4678 8.7414 8.7414 8.9953 8.9953 9.0124 9.0124 9.1180 9.1180 9.3596 9.3596 9.3641 9.3641 10.9623 10.9623 11.2032 11.2032 k = 0.0893 0.0893 0.0893 ( 3482 PWs) bands (ev): -32.7611 -32.7611 -32.6586 -32.6586 -32.6586 -32.6586 -13.8504 -13.8504 -13.8445 -13.8445 -13.5654 -13.5654 -12.5330 -12.5330 -12.4471 -12.4471 -12.4367 -12.4367 -12.2890 -12.2890 -12.0620 -12.0620 -12.0270 -12.0270 -0.3254 -0.3254 4.0633 4.0633 8.3713 8.3713 8.4172 8.4172 8.6936 8.6936 8.9859 8.9859 8.9955 8.9955 9.0786 9.0786 9.3890 9.3890 9.3936 9.3936 10.9576 10.9576 11.2244 11.2244 k = 0.0982 0.0982 0.0982 ( 3470 PWs) bands (ev): -32.7599 -32.7599 -32.6591 -32.6591 -32.6591 -32.6591 -13.8493 -13.8493 -13.8422 -13.8422 -13.5685 -13.5685 -12.5307 -12.5307 -12.4468 -12.4468 -12.4342 -12.4342 -12.2893 -12.2893 -12.0698 -12.0698 -12.0281 -12.0281 -0.2962 -0.2962 4.0921 4.0921 8.3155 8.3155 8.3639 8.3639 8.6413 8.6413 8.9733 8.9733 8.9752 8.9752 9.0358 9.0358 9.4212 9.4212 9.4256 9.4256 10.9610 10.9610 11.2490 11.2490 k = 0.1071 0.1071 0.1071 ( 3470 PWs) bands (ev): -32.7586 -32.7586 -32.6597 -32.6597 -32.6597 -32.6597 -13.8482 -13.8482 -13.8398 -13.8398 -13.5718 -13.5718 -12.5284 -12.5284 -12.4465 -12.4465 -12.4315 -12.4315 -12.2895 -12.2895 -12.0781 -12.0781 -12.0293 -12.0293 -0.2646 -0.2646 4.1232 4.1232 8.2577 8.2577 8.3082 8.3082 8.5843 8.5843 8.9493 8.9493 8.9581 8.9581 8.9930 8.9930 9.4560 9.4560 9.4599 9.4599 10.9724 10.9724 11.2769 11.2769 k = 0.1161 0.1161 0.1161 ( 3476 PWs) bands (ev): -32.7573 -32.7573 -32.6604 -32.6604 -32.6604 -32.6604 -13.8470 -13.8470 -13.8372 -13.8372 -13.5754 -13.5754 -12.5262 -12.5262 -12.4462 -12.4462 -12.4286 -12.4286 -12.2895 -12.2895 -12.0868 -12.0868 -12.0304 -12.0304 -0.2305 -0.2305 4.1566 4.1566 8.1980 8.1980 8.2500 8.2500 8.5223 8.5223 8.9132 8.9132 8.9408 8.9408 8.9568 8.9568 9.4931 9.4931 9.4965 9.4965 10.9916 10.9916 11.3081 11.3081 k = 0.1250 0.1250 0.1250 ( 3470 PWs) bands (ev): -32.7559 -32.7559 -32.6611 -32.6611 -32.6611 -32.6611 -13.8458 -13.8458 -13.8346 -13.8346 -13.5794 -13.5794 -12.5241 -12.5241 -12.4459 -12.4459 -12.4255 -12.4255 -12.2893 -12.2893 -12.0959 -12.0959 -12.0317 -12.0317 -0.1941 -0.1941 4.1921 4.1921 8.1364 8.1364 8.1896 8.1896 8.4554 8.4554 8.8671 8.8671 8.9219 8.9219 8.9285 8.9285 9.5325 9.5325 9.5353 9.5353 11.0179 11.0179 11.3422 11.3422 k = 0.1339 0.1339 0.1339 ( 3476 PWs) bands (ev): -32.7544 -32.7544 -32.6618 -32.6618 -32.6618 -32.6618 -13.8445 -13.8445 -13.8318 -13.8318 -13.5836 -13.5836 -12.5221 -12.5221 -12.4456 -12.4456 -12.4221 -12.4221 -12.2888 -12.2888 -12.1052 -12.1052 -12.0329 -12.0329 -0.1554 -0.1554 4.2296 4.2296 8.0729 8.0729 8.1269 8.1269 8.3836 8.3836 8.8171 8.8171 8.9019 8.9019 8.9035 8.9035 9.5740 9.5740 9.5762 9.5762 11.0507 11.0507 11.3791 11.3791 k = 0.1429 0.1429 0.1429 ( 3482 PWs) bands (ev): -32.7528 -32.7528 -32.6626 -32.6626 -32.6626 -32.6626 -13.8433 -13.8433 -13.8290 -13.8290 -13.5881 -13.5881 -12.5204 -12.5204 -12.4453 -12.4453 -12.4185 -12.4185 -12.2879 -12.2879 -12.1147 -12.1147 -12.0342 -12.0342 -0.1146 -0.1146 4.2689 4.2689 8.0077 8.0077 8.0621 8.0621 8.3073 8.3073 8.7664 8.7664 8.8798 8.8798 8.8813 8.8813 9.6175 9.6175 9.6192 9.6192 11.0892 11.0892 11.4182 11.4182 k = 0.1518 0.1518 0.1518 ( 3482 PWs) bands (ev): -32.7511 -32.7511 -32.6635 -32.6635 -32.6635 -32.6635 -13.8421 -13.8421 -13.8261 -13.8261 -13.5929 -13.5929 -12.5190 -12.5190 -12.4450 -12.4450 -12.4147 -12.4147 -12.2867 -12.2867 -12.1242 -12.1242 -12.0355 -12.0355 -0.0717 -0.0717 4.3099 4.3099 7.9409 7.9409 7.9953 7.9953 8.2271 8.2271 8.7164 8.7164 8.8570 8.8570 8.8605 8.8605 9.6630 9.6630 9.6641 9.6641 11.1326 11.1326 11.4593 11.4593 k = 0.1607 0.1607 0.1607 ( 3482 PWs) bands (ev): -32.7494 -32.7494 -32.6643 -32.6643 -32.6643 -32.6643 -13.8409 -13.8409 -13.8232 -13.8232 -13.5980 -13.5980 -12.5179 -12.5179 -12.4449 -12.4449 -12.4106 -12.4106 -12.2850 -12.2850 -12.1338 -12.1338 -12.0367 -12.0367 -0.0268 -0.0268 4.3525 4.3525 7.8727 7.8727 7.9266 7.9266 8.1435 8.1435 8.6677 8.6677 8.8351 8.8351 8.8399 8.8399 9.7103 9.7103 9.7109 9.7109 11.1798 11.1798 11.5016 11.5016 k = 0.1696 0.1696 0.1696 ( 3488 PWs) bands (ev): -32.7476 -32.7476 -32.6652 -32.6652 -32.6652 -32.6652 -13.8397 -13.8397 -13.8203 -13.8203 -13.6034 -13.6034 -12.5171 -12.5171 -12.4450 -12.4450 -12.4064 -12.4064 -12.2829 -12.2829 -12.1431 -12.1431 -12.0379 -12.0379 0.0199 0.0199 4.3963 4.3963 7.8031 7.8031 7.8563 7.8563 8.0574 8.0574 8.6205 8.6205 8.8143 8.8143 8.8198 8.8198 9.7595 9.7595 9.7596 9.7596 11.2299 11.2299 11.5447 11.5447 k = 0.1786 0.1786 0.1786 ( 3482 PWs) bands (ev): -32.7457 -32.7457 -32.6661 -32.6661 -32.6661 -32.6661 -13.8386 -13.8386 -13.8174 -13.8174 -13.6090 -13.6090 -12.5167 -12.5167 -12.4453 -12.4453 -12.4019 -12.4019 -12.2803 -12.2803 -12.1523 -12.1523 -12.0391 -12.0391 0.0684 0.0684 4.4412 4.4412 7.7323 7.7323 7.7845 7.7845 7.9693 7.9693 8.5750 8.5750 8.7949 8.7949 8.8005 8.8005 9.8100 9.8100 9.8104 9.8104 11.2816 11.2816 11.5876 11.5876 k = 0.1875 0.1875 0.1875 ( 3476 PWs) bands (ev): -32.7438 -32.7438 -32.6670 -32.6670 -32.6670 -32.6670 -13.8376 -13.8376 -13.8145 -13.8145 -13.6149 -13.6149 -12.5167 -12.5167 -12.4458 -12.4458 -12.3973 -12.3973 -12.2772 -12.2772 -12.1610 -12.1610 -12.0403 -12.0403 0.1185 0.1185 4.4869 4.4869 7.6606 7.6606 7.7115 7.7115 7.8801 7.8801 8.5314 8.5314 8.7769 8.7769 8.7822 8.7822 9.8621 9.8621 9.8629 9.8629 11.3334 11.3334 11.6295 11.6295 k = 0.1964 0.1964 0.1964 ( 3476 PWs) bands (ev): -32.7419 -32.7419 -32.6680 -32.6680 -32.6680 -32.6680 -13.8366 -13.8366 -13.8117 -13.8117 -13.6210 -13.6210 -12.5170 -12.5170 -12.4468 -12.4468 -12.3924 -12.3924 -12.2738 -12.2738 -12.1692 -12.1692 -12.0414 -12.0414 0.1702 0.1702 4.5331 4.5331 7.5881 7.5881 7.6375 7.6375 7.7903 7.7903 8.4898 8.4898 8.7605 8.7605 8.7653 8.7653 9.9157 9.9157 9.9170 9.9170 11.3836 11.3836 11.6693 11.6693 k = 0.2054 0.2054 0.2054 ( 3476 PWs) bands (ev): -32.7399 -32.7399 -32.6690 -32.6690 -32.6690 -32.6690 -13.8358 -13.8358 -13.8089 -13.8089 -13.6273 -13.6273 -12.5176 -12.5176 -12.4481 -12.4481 -12.3874 -12.3874 -12.2700 -12.2700 -12.1767 -12.1767 -12.0424 -12.0424 0.2232 0.2232 4.5797 4.5797 7.5150 7.5150 7.5627 7.5627 7.7004 7.7004 8.4503 8.4503 8.7459 8.7459 8.7498 8.7498 9.9708 9.9708 9.9724 9.9724 11.4301 11.4301 11.7059 11.7059 k = 0.2143 0.2143 0.2143 ( 3482 PWs) bands (ev): -32.7379 -32.7379 -32.6700 -32.6700 -32.6700 -32.6700 -13.8350 -13.8350 -13.8062 -13.8062 -13.6339 -13.6339 -12.5186 -12.5186 -12.4499 -12.4499 -12.3823 -12.3823 -12.2660 -12.2660 -12.1833 -12.1833 -12.0433 -12.0433 0.2776 0.2776 4.6263 4.6263 7.4415 7.4415 7.4873 7.4873 7.6109 7.6109 8.4131 8.4131 8.7332 8.7332 8.7359 8.7359 10.0271 10.0271 10.0292 10.0292 11.4706 11.4706 11.7379 11.7379 k = 0.2232 0.2232 0.2232 ( 3479 PWs) bands (ev): -32.7358 -32.7358 -32.6709 -32.6709 -32.6709 -32.6709 -13.8343 -13.8343 -13.8036 -13.8036 -13.6406 -13.6406 -12.5199 -12.5199 -12.4522 -12.4522 -12.3770 -12.3770 -12.2621 -12.2621 -12.1887 -12.1887 -12.0442 -12.0442 0.3331 0.3331 4.6725 4.6725 7.3679 7.3679 7.4116 7.4116 7.5222 7.5222 8.3784 8.3784 8.7224 8.7224 8.7237 8.7237 10.0847 10.0847 10.0870 10.0870 11.5029 11.5029 11.7638 11.7638 k = 0.2321 0.2321 0.2321 ( 3476 PWs) bands (ev): -32.7338 -32.7338 -32.6720 -32.6720 -32.6720 -32.6720 -13.8338 -13.8338 -13.8011 -13.8011 -13.6475 -13.6475 -12.5214 -12.5214 -12.4551 -12.4551 -12.3716 -12.3716 -12.2585 -12.2585 -12.1926 -12.1926 -12.0449 -12.0449 0.3897 0.3897 4.7180 4.7180 7.2943 7.2943 7.3359 7.3359 7.4347 7.4347 8.3465 8.3465 8.7133 8.7133 8.7135 8.7135 10.1432 10.1432 10.1459 10.1459 11.5253 11.5253 11.7823 11.7823 k = 0.2411 0.2411 0.2411 ( 3476 PWs) bands (ev): -32.7317 -32.7317 -32.6730 -32.6730 -32.6730 -32.6730 -13.8335 -13.8335 -13.7987 -13.7987 -13.6546 -13.6546 -12.5232 -12.5232 -12.4584 -12.4584 -12.3660 -12.3660 -12.2556 -12.2556 -12.1947 -12.1947 -12.0456 -12.0456 0.4471 0.4471 4.7626 4.7626 7.2209 7.2209 7.2604 7.2604 7.3487 7.3487 8.3177 8.3177 8.7047 8.7047 8.7067 8.7067 10.2025 10.2025 10.2055 10.2055 11.5373 11.5373 11.7923 11.7923 k = 0.2500 0.2500 0.2500 ( 3479 PWs) bands (ev): -32.7296 -32.7296 -32.6740 -32.6740 -32.6740 -32.6740 -13.8332 -13.8332 -13.7965 -13.7965 -13.6617 -13.6617 -12.5252 -12.5252 -12.4622 -12.4622 -12.3604 -12.3604 -12.2538 -12.2538 -12.1946 -12.1946 -12.0461 -12.0461 0.5053 0.5053 4.8057 4.8057 7.1481 7.1481 7.1853 7.1853 7.2644 7.2644 8.2922 8.2922 8.6981 8.6981 8.7019 8.7019 10.2624 10.2624 10.2657 10.2657 11.5395 11.5395 11.7931 11.7931 k = 0.2589 0.2589 0.2589 ( 3476 PWs) bands (ev): -32.7275 -32.7275 -32.6750 -32.6750 -32.6750 -32.6750 -13.8332 -13.8332 -13.7943 -13.7943 -13.6690 -13.6690 -12.5274 -12.5274 -12.4665 -12.4665 -12.3548 -12.3548 -12.2531 -12.2531 -12.1923 -12.1923 -12.0464 -12.0464 0.5642 0.5642 4.8471 4.8471 7.0760 7.0760 7.1108 7.1108 7.1819 7.1819 8.2704 8.2704 8.6934 8.6934 8.6991 8.6991 10.3226 10.3226 10.3262 10.3262 11.5330 11.5330 11.7849 11.7849 k = 0.2679 0.2679 0.2679 ( 3479 PWs) bands (ev): -32.7254 -32.7254 -32.6760 -32.6760 -32.6760 -32.6760 -13.8333 -13.8333 -13.7923 -13.7923 -13.6762 -13.6762 -12.5297 -12.5297 -12.4713 -12.4713 -12.3491 -12.3491 -12.2534 -12.2534 -12.1880 -12.1880 -12.0467 -12.0467 0.6234 0.6234 4.8864 4.8864 7.0047 7.0047 7.0372 7.0372 7.1015 7.1015 8.2527 8.2527 8.6907 8.6907 8.6984 8.6984 10.3829 10.3829 10.3868 10.3868 11.5194 11.5194 11.7681 11.7681 k = 0.2768 0.2768 0.2768 ( 3473 PWs) bands (ev): -32.7233 -32.7233 -32.6770 -32.6770 -32.6770 -32.6770 -13.8336 -13.8336 -13.7904 -13.7904 -13.6835 -13.6835 -12.5321 -12.5321 -12.4764 -12.4764 -12.3433 -12.3433 -12.2544 -12.2544 -12.1821 -12.1821 -12.0468 -12.0468 0.6831 0.6831 4.9233 4.9233 6.9346 6.9346 6.9648 6.9648 7.0233 7.0233 8.2394 8.2394 8.6898 8.6898 8.6996 8.6996 10.4430 10.4430 10.4472 10.4472 11.5003 11.5003 11.7439 11.7439 k = 0.2857 0.2857 0.2857 ( 3461 PWs) bands (ev): -32.7212 -32.7212 -32.6780 -32.6780 -32.6780 -32.6780 -13.8341 -13.8341 -13.7887 -13.7887 -13.6907 -13.6907 -12.5347 -12.5347 -12.4817 -12.4817 -12.3377 -12.3377 -12.2556 -12.2556 -12.1751 -12.1751 -12.0467 -12.0467 0.7428 0.7428 4.9573 4.9573 6.8657 6.8657 6.8936 6.8936 6.9473 6.9473 8.2308 8.2308 8.6909 8.6909 8.7028 8.7028 10.5024 10.5024 10.5070 10.5070 11.4767 11.4767 11.7126 11.7127 k = 0.2946 0.2946 0.2946 ( 3461 PWs) bands (ev): -32.7192 -32.7192 -32.6790 -32.6790 -32.6790 -32.6790 -13.8348 -13.8348 -13.7871 -13.7871 -13.6979 -13.6979 -12.5374 -12.5374 -12.4873 -12.4873 -12.3320 -12.3320 -12.2570 -12.2570 -12.1672 -12.1672 -12.0466 -12.0466 0.8026 0.8026 4.9884 4.9884 6.7982 6.7982 6.8240 6.8240 6.8737 6.8737 8.2271 8.2271 8.6938 8.6938 8.7080 8.7080 10.5608 10.5608 10.5658 10.5658 11.4497 11.4497 11.6749 11.6749 k = 0.3036 0.3036 0.3036 ( 3473 PWs) bands (ev): -32.7172 -32.7172 -32.6800 -32.6800 -32.6800 -32.6800 -13.8357 -13.8357 -13.7857 -13.7857 -13.7049 -13.7049 -12.5401 -12.5401 -12.4930 -12.4930 -12.3264 -12.3264 -12.2583 -12.2583 -12.1588 -12.1588 -12.0462 -12.0462 0.8622 0.8622 5.0161 5.0161 6.7324 6.7324 6.7560 6.7560 6.8025 6.8025 8.2287 8.2287 8.6985 8.6985 8.7149 8.7149 10.6177 10.6177 10.6232 10.6232 11.4199 11.4199 11.6337 11.6337 k = 0.3125 0.3125 0.3125 ( 3473 PWs) bands (ev): -32.7153 -32.7153 -32.6809 -32.6809 -32.6809 -32.6809 -13.8369 -13.8369 -13.7844 -13.7844 -13.7117 -13.7117 -12.5430 -12.5430 -12.4988 -12.4988 -12.3210 -12.3210 -12.2595 -12.2595 -12.1501 -12.1501 -12.0457 -12.0457 0.9214 0.9214 5.0404 5.0404 6.6683 6.6683 6.6900 6.6900 6.7336 6.7336 8.2357 8.2357 8.7050 8.7050 8.7237 8.7237 10.6724 10.6724 10.6785 10.6785 11.3878 11.3878 11.5904 11.5904 k = 0.3214 0.3214 0.3214 ( 3473 PWs) bands (ev): -32.7133 -32.7133 -32.6818 -32.6818 -32.6818 -32.6818 -13.8382 -13.8382 -13.7832 -13.7832 -13.7183 -13.7183 -12.5459 -12.5459 -12.5045 -12.5045 -12.3156 -12.3156 -12.2604 -12.2604 -12.1411 -12.1411 -12.0451 -12.0451 0.9801 0.9801 5.0612 5.0612 6.6062 6.6062 6.6260 6.6260 6.6673 6.6673 8.2482 8.2482 8.7132 8.7132 8.7343 8.7343 10.7242 10.7242 10.7312 10.7312 11.3539 11.3539 11.5460 11.5460 k = 0.3304 0.3304 0.3304 ( 3464 PWs) bands (ev): -32.7114 -32.7114 -32.6827 -32.6827 -32.6827 -32.6827 -13.8398 -13.8398 -13.7822 -13.7822 -13.7246 -13.7246 -12.5489 -12.5489 -12.5100 -12.5100 -12.3104 -12.3104 -12.2612 -12.2612 -12.1320 -12.1320 -12.0443 -12.0443 1.0380 1.0380 5.0784 5.0784 6.5462 6.5462 6.5643 6.5643 6.6034 6.6034 8.2663 8.2663 8.7230 8.7230 8.7464 8.7464 10.7722 10.7722 10.7804 10.7804 11.3183 11.3183 11.5020 11.5020 k = 0.3393 0.3393 0.3393 ( 3464 PWs) bands (ev): -32.7096 -32.7096 -32.6836 -32.6836 -32.6836 -32.6836 -13.8417 -13.8417 -13.7813 -13.7813 -13.7306 -13.7306 -12.5520 -12.5520 -12.5154 -12.5154 -12.3053 -12.3053 -12.2617 -12.2617 -12.1230 -12.1230 -12.0434 -12.0434 1.0950 1.0950 5.0921 5.0921 6.4885 6.4885 6.5049 6.5049 6.5420 6.5420 8.2898 8.2898 8.7342 8.7342 8.7601 8.7601 10.8151 10.8151 10.8249 10.8249 11.2814 11.2814 11.4598 11.4598 k = 0.3482 0.3482 0.3482 ( 3464 PWs) bands (ev): -32.7079 -32.7079 -32.6844 -32.6844 -32.6844 -32.6844 -13.8438 -13.8438 -13.7805 -13.7805 -13.7363 -13.7363 -12.5552 -12.5552 -12.5205 -12.5205 -12.3005 -12.3005 -12.2621 -12.2621 -12.1140 -12.1140 -12.0424 -12.0424 1.1509 1.1509 5.1024 5.1024 6.4331 6.4331 6.4480 6.4480 6.4832 6.4832 8.3185 8.3185 8.7468 8.7468 8.7751 8.7751 10.8515 10.8515 10.8632 10.8632 11.2434 11.2434 11.4210 11.4210 k = 0.3571 0.3571 0.3571 ( 3461 PWs) bands (ev): -32.7062 -32.7062 -32.6852 -32.6852 -32.6852 -32.6852 -13.8461 -13.8461 -13.7798 -13.7798 -13.7416 -13.7416 -12.5585 -12.5585 -12.5253 -12.5253 -12.2959 -12.2959 -12.2623 -12.2623 -12.1052 -12.1052 -12.0413 -12.0413 1.2054 1.2054 5.1095 5.1095 6.3802 6.3802 6.3937 6.3937 6.4270 6.4270 8.3523 8.3523 8.7607 8.7607 8.7914 8.7914 10.8794 10.8794 10.8937 10.8937 11.2043 11.2043 11.3877 11.3877 k = 0.3661 0.3661 0.3661 ( 3452 PWs) bands (ev): -32.7046 -32.7046 -32.6860 -32.6860 -32.6860 -32.6860 -13.8486 -13.8486 -13.7793 -13.7793 -13.7465 -13.7465 -12.5619 -12.5619 -12.5297 -12.5297 -12.2915 -12.2915 -12.2623 -12.2623 -12.0966 -12.0966 -12.0401 -12.0401 1.2584 1.2584 5.1138 5.1138 6.3299 6.3299 6.3421 6.3421 6.3734 6.3734 8.3906 8.3906 8.7756 8.7756 8.8089 8.8089 10.8970 10.8970 10.9142 10.9142 11.1642 11.1642 11.3621 11.3621 k = 0.3750 0.3750 0.3750 ( 3458 PWs) bands (ev): -32.7031 -32.7031 -32.6867 -32.6867 -32.6867 -32.6867 -13.8512 -13.8512 -13.7788 -13.7788 -13.7510 -13.7510 -12.5654 -12.5654 -12.5337 -12.5337 -12.2873 -12.2873 -12.2623 -12.2623 -12.0883 -12.0883 -12.0388 -12.0388 1.3095 1.3095 5.1154 5.1154 6.2823 6.2823 6.2934 6.2934 6.3226 6.3226 8.4331 8.4331 8.7914 8.7914 8.8273 8.8273 10.9031 10.9031 10.9230 10.9230 11.1231 11.1231 11.3459 11.3459 k = 0.3839 0.3839 0.3839 ( 3452 PWs) bands (ev): -32.7016 -32.7016 -32.6874 -32.6874 -32.6874 -32.6874 -13.8540 -13.8540 -13.7784 -13.7784 -13.7551 -13.7551 -12.5689 -12.5689 -12.5372 -12.5372 -12.2834 -12.2834 -12.2621 -12.2621 -12.0803 -12.0803 -12.0375 -12.0375 1.3586 1.3586 5.1148 5.1148 6.2376 6.2376 6.2475 6.2475 6.2745 6.2745 8.4791 8.4791 8.8079 8.8079 8.8464 8.8464 10.8975 10.8975 10.9198 10.9198 11.0811 11.0811 11.3399 11.3399 k = 0.3929 0.3929 0.3929 ( 3464 PWs) bands (ev): -32.7003 -32.7003 -32.6881 -32.6881 -32.6881 -32.6881 -13.8569 -13.8569 -13.7781 -13.7781 -13.7587 -13.7587 -12.5724 -12.5724 -12.5404 -12.5404 -12.2798 -12.2798 -12.2619 -12.2619 -12.0728 -12.0728 -12.0362 -12.0362 1.4054 1.4054 5.1124 5.1124 6.1958 6.1958 6.2046 6.2046 6.2293 6.2293 8.5279 8.5279 8.8250 8.8250 8.8661 8.8661 10.8821 10.8821 10.9059 10.9059 11.0382 11.0382 11.3427 11.3427 k = 0.4018 0.4018 0.4018 ( 3464 PWs) bands (ev): -32.6990 -32.6990 -32.6887 -32.6887 -32.6887 -32.6887 -13.8597 -13.8597 -13.7778 -13.7778 -13.7620 -13.7620 -12.5758 -12.5758 -12.5431 -12.5431 -12.2764 -12.2764 -12.2616 -12.2616 -12.0656 -12.0656 -12.0348 -12.0348 1.4497 1.4497 5.1084 5.1084 6.1569 6.1569 6.1649 6.1649 6.1872 6.1872 8.5788 8.5788 8.8422 8.8422 8.8862 8.8862 10.8594 10.8594 10.8841 10.8841 10.9945 10.9945 11.3519 11.3519 k = 0.4107 0.4107 0.4107 ( 3464 PWs) bands (ev): -32.6978 -32.6978 -32.6893 -32.6893 -32.6893 -32.6893 -13.8626 -13.8626 -13.7776 -13.7776 -13.7649 -13.7649 -12.5791 -12.5791 -12.5456 -12.5456 -12.2734 -12.2734 -12.2612 -12.2612 -12.0590 -12.0590 -12.0334 -12.0334 1.4912 1.4912 5.1033 5.1033 6.1212 6.1212 6.1282 6.1282 6.1481 6.1481 8.6310 8.6310 8.8595 8.8595 8.9064 8.9064 10.8320 10.8320 10.8574 10.8574 10.9505 10.9505 11.3648 11.3648 k = 0.4196 0.4196 0.4196 ( 3455 PWs) bands (ev): -32.6967 -32.6967 -32.6898 -32.6898 -32.6898 -32.6898 -13.8654 -13.8654 -13.7775 -13.7775 -13.7674 -13.7674 -12.5822 -12.5822 -12.5477 -12.5477 -12.2706 -12.2706 -12.2609 -12.2609 -12.0529 -12.0529 -12.0321 -12.0321 1.5297 1.5297 5.0975 5.0975 6.0887 6.0887 6.0948 6.0948 6.1122 6.1122 8.6833 8.6833 8.8765 8.8765 8.9264 8.9264 10.8024 10.8024 10.8282 10.8282 10.9068 10.9068 11.3794 11.3794 k = 0.4286 0.4286 0.4286 ( 3448 PWs) bands (ev): -32.6957 -32.6957 -32.6902 -32.6902 -32.6902 -32.6902 -13.8681 -13.8681 -13.7774 -13.7774 -13.7696 -13.7696 -12.5851 -12.5851 -12.5495 -12.5495 -12.2681 -12.2681 -12.2605 -12.2605 -12.0473 -12.0473 -12.0309 -12.0309 1.5649 1.5649 5.0913 5.0913 6.0594 6.0594 6.0647 6.0647 6.0798 6.0798 8.7348 8.7348 8.8929 8.8929 8.9460 8.9460 10.7722 10.7722 10.7985 10.7985 10.8638 10.8638 11.3941 11.3941 k = 0.4375 0.4375 0.4375 ( 3457 PWs) bands (ev): -32.6949 -32.6949 -32.6906 -32.6906 -32.6906 -32.6906 -13.8705 -13.8705 -13.7773 -13.7773 -13.7715 -13.7715 -12.5878 -12.5878 -12.5511 -12.5511 -12.2660 -12.2660 -12.2602 -12.2602 -12.0423 -12.0423 -12.0297 -12.0297 1.5967 1.5967 5.0850 5.0850 6.0334 6.0334 6.0379 6.0379 6.0508 6.0508 8.7842 8.7842 8.9085 8.9085 8.9650 8.9650 10.7428 10.7428 10.7696 10.7696 10.8225 10.8225 11.4079 11.4079 k = 0.4464 0.4464 0.4464 ( 3475 PWs) bands (ev): -32.6942 -32.6942 -32.6910 -32.6910 -32.6910 -32.6910 -13.8728 -13.8728 -13.7773 -13.7773 -13.7730 -13.7730 -12.5901 -12.5901 -12.5524 -12.5524 -12.2641 -12.2641 -12.2599 -12.2599 -12.0379 -12.0379 -12.0286 -12.0286 1.6247 1.6247 5.0789 5.0789 6.0108 6.0108 6.0144 6.0144 6.0255 6.0255 8.8301 8.8301 8.9228 8.9228 8.9833 8.9833 10.7151 10.7151 10.7428 10.7428 10.7837 10.7837 11.4203 11.4203 k = 0.4554 0.4554 0.4554 ( 3478 PWs) bands (ev): -32.6935 -32.6935 -32.6913 -32.6913 -32.6913 -32.6913 -13.8748 -13.8748 -13.7772 -13.7772 -13.7743 -13.7743 -12.5922 -12.5922 -12.5535 -12.5535 -12.2625 -12.2625 -12.2596 -12.2596 -12.0341 -12.0341 -12.0277 -12.0277 1.6487 1.6487 5.0733 5.0733 5.9916 5.9916 5.9944 5.9944 6.0040 6.0040 8.8712 8.8712 8.9356 8.9356 9.0005 9.0005 10.6901 10.6901 10.7188 10.7188 10.7484 10.7484 11.4309 11.4309 k = 0.4643 0.4643 0.4643 ( 3472 PWs) bands (ev): -32.6930 -32.6930 -32.6916 -32.6916 -32.6916 -32.6916 -13.8764 -13.8764 -13.7772 -13.7772 -13.7754 -13.7754 -12.5939 -12.5939 -12.5543 -12.5543 -12.2612 -12.2612 -12.2593 -12.2593 -12.0310 -12.0310 -12.0269 -12.0269 1.6687 1.6687 5.0685 5.0685 5.9758 5.9758 5.9778 5.9778 5.9863 5.9863 8.9059 8.9059 8.9466 8.9466 9.0166 9.0166 10.6684 10.6684 10.6983 10.6983 10.7178 10.7178 11.4397 11.4397 k = 0.4732 0.4732 0.4732 ( 3466 PWs) bands (ev): -32.6926 -32.6926 -32.6918 -32.6918 -32.6918 -32.6918 -13.8777 -13.8777 -13.7772 -13.7772 -13.7762 -13.7762 -12.5952 -12.5952 -12.5550 -12.5550 -12.2602 -12.2602 -12.2591 -12.2591 -12.0286 -12.0286 -12.0263 -12.0263 1.6844 1.6844 5.0644 5.0644 5.9635 5.9635 5.9647 5.9647 5.9727 5.9727 8.9331 8.9331 8.9554 8.9554 9.0310 9.0310 10.6504 10.6504 10.6818 10.6818 10.6929 10.6929 11.4465 11.4465 k = 0.4821 0.4821 0.4821 ( 3460 PWs) bands (ev): -32.6923 -32.6923 -32.6919 -32.6919 -32.6919 -32.6919 -13.8787 -13.8787 -13.7772 -13.7772 -13.7768 -13.7768 -12.5962 -12.5962 -12.5555 -12.5555 -12.2594 -12.2594 -12.2590 -12.2590 -12.0269 -12.0269 -12.0258 -12.0258 1.6958 1.6958 5.0615 5.0615 5.9547 5.9547 5.9553 5.9553 5.9630 5.9630 8.9523 8.9523 8.9619 8.9619 9.0427 9.0427 10.6368 10.6368 10.6698 10.6698 10.6747 10.6747 11.4514 11.4514 k = 0.4911 0.4911 0.4911 ( 3448 PWs) bands (ev): -32.6921 -32.6921 -32.6920 -32.6920 -32.6920 -32.6920 -13.8793 -13.8793 -13.7772 -13.7772 -13.7771 -13.7771 -12.5967 -12.5967 -12.5557 -12.5557 -12.2590 -12.2590 -12.2589 -12.2589 -12.0258 -12.0258 -12.0255 -12.0255 1.7026 1.7026 5.0597 5.0597 5.9494 5.9494 5.9495 5.9495 5.9572 5.9572 8.9636 8.9636 8.9659 8.9659 9.0506 9.0506 10.6282 10.6282 10.6624 10.6624 10.6636 10.6636 11.4543 11.4543 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8795 -13.8795 -13.7772 -13.7772 -13.7772 -13.7772 -12.5969 -12.5969 -12.5558 -12.5558 -12.2589 -12.2589 -12.2589 -12.2589 -12.0255 -12.0255 -12.0255 -12.0255 1.7049 1.7049 5.0590 5.0590 5.9476 5.9476 5.9476 5.9476 5.9552 5.9552 8.9672 8.9672 8.9672 8.9672 9.0534 9.0534 10.6252 10.6252 10.6600 10.6600 10.6600 10.6600 11.4552 11.4552 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8795 -13.8795 -13.7772 -13.7772 -13.7772 -13.7772 -12.5969 -12.5969 -12.5558 -12.5558 -12.2589 -12.2589 -12.2589 -12.2589 -12.0255 -12.0255 -12.0255 -12.0255 1.7049 1.7049 5.0590 5.0590 5.9476 5.9476 5.9476 5.9476 5.9552 5.9552 8.9672 8.9672 8.9672 8.9672 9.0534 9.0534 10.6252 10.6252 10.6600 10.6600 10.6600 10.6600 11.4552 11.4552 k = 0.4891 0.5000 0.4891 ( 3448 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8793 -13.8793 -13.7772 -13.7772 -13.7771 -13.7771 -12.5967 -12.5967 -12.5557 -12.5557 -12.2590 -12.2590 -12.2589 -12.2589 -12.0258 -12.0258 -12.0256 -12.0256 1.7026 1.7026 5.0596 5.0596 5.9487 5.9487 5.9501 5.9501 5.9573 5.9573 8.9637 8.9637 8.9659 8.9659 9.0506 9.0506 10.6281 10.6281 10.6624 10.6624 10.6636 10.6636 11.4543 11.4546 k = 0.4783 0.5000 0.4783 ( 3456 PWs) bands (ev): -32.6922 -32.6922 -32.6920 -32.6920 -32.6918 -32.6918 -13.8787 -13.8787 -13.7772 -13.7772 -13.7768 -13.7768 -12.5962 -12.5962 -12.5555 -12.5555 -12.2594 -12.2594 -12.2590 -12.2590 -12.0268 -12.0268 -12.0259 -12.0259 1.6959 1.6959 5.0615 5.0615 5.9512 5.9512 5.9574 5.9574 5.9641 5.9641 8.9531 8.9531 8.9614 8.9614 9.0429 9.0429 10.6365 10.6365 10.6697 10.6697 10.6745 10.6745 11.4516 11.4516 k = 0.4674 0.5000 0.4674 ( 3468 PWs) bands (ev): -32.6924 -32.6924 -32.6920 -32.6920 -32.6917 -32.6917 -13.8778 -13.8778 -13.7771 -13.7771 -13.7763 -13.7763 -12.5952 -12.5952 -12.5550 -12.5550 -12.2601 -12.2601 -12.2592 -12.2592 -12.0285 -12.0285 -12.0263 -12.0263 1.6847 1.6847 5.0644 5.0644 5.9544 5.9544 5.9694 5.9694 5.9764 5.9764 8.9359 8.9359 8.9528 8.9528 9.0315 9.0315 10.6495 10.6495 10.6825 10.6825 10.6922 10.6922 11.4470 11.4470 k = 0.4565 0.5000 0.4565 ( 3476 PWs) bands (ev): -32.6928 -32.6928 -32.6921 -32.6921 -32.6914 -32.6914 -13.8765 -13.8765 -13.7771 -13.7771 -13.7755 -13.7755 -12.5939 -12.5939 -12.5543 -12.5543 -12.2610 -12.2610 -12.2594 -12.2594 -12.0308 -12.0308 -12.0270 -12.0270 1.6693 1.6693 5.0684 5.0684 5.9585 5.9585 5.9861 5.9861 5.9940 5.9940 8.9128 8.9128 8.9386 8.9386 9.0190 9.0190 10.6659 10.6659 10.7010 10.7010 10.7158 10.7158 11.4405 11.4405 k = 0.4457 0.5000 0.4457 ( 3476 PWs) bands (ev): -32.6932 -32.6932 -32.6921 -32.6921 -32.6910 -32.6910 -13.8748 -13.8748 -13.7771 -13.7771 -13.7746 -13.7746 -12.5922 -12.5922 -12.5535 -12.5535 -12.2622 -12.2622 -12.2597 -12.2597 -12.0338 -12.0338 -12.0279 -12.0279 1.6497 1.6497 5.0734 5.0734 5.9637 5.9637 6.0073 6.0073 6.0167 6.0167 8.8845 8.8845 8.9173 8.9173 9.0074 9.0074 10.6849 10.6849 10.7253 10.7253 10.7445 10.7445 11.4321 11.4321 k = 0.4348 0.5000 0.4348 ( 3474 PWs) bands (ev): -32.6936 -32.6936 -32.6921 -32.6921 -32.6906 -32.6906 -13.8728 -13.8728 -13.7770 -13.7770 -13.7734 -13.7734 -12.5902 -12.5902 -12.5524 -12.5524 -12.2637 -12.2637 -12.2601 -12.2601 -12.0374 -12.0374 -12.0290 -12.0290 1.6262 1.6262 5.0792 5.0792 5.9701 5.9701 6.0330 6.0330 6.0441 6.0441 8.8518 8.8518 8.8890 8.8890 8.9978 8.9978 10.7066 10.7066 10.7544 10.7544 10.7772 10.7772 11.4218 11.4218 k = 0.4239 0.5000 0.4239 ( 3470 PWs) bands (ev): -32.6942 -32.6942 -32.6921 -32.6921 -32.6900 -32.6900 -13.8706 -13.8706 -13.7769 -13.7769 -13.7720 -13.7720 -12.5878 -12.5878 -12.5512 -12.5512 -12.2655 -12.2655 -12.2606 -12.2606 -12.0416 -12.0416 -12.0302 -12.0302 1.5991 1.5991 5.0855 5.0855 5.9778 5.9778 6.0631 6.0631 6.0759 6.0759 8.8158 8.8158 8.8550 8.8550 8.9898 8.9898 10.7309 10.7309 10.7872 10.7872 10.8128 10.8128 11.4098 11.4098 k = 0.4130 0.5000 0.4130 ( 3474 PWs) bands (ev): -32.6948 -32.6948 -32.6921 -32.6921 -32.6894 -32.6894 -13.8680 -13.8680 -13.7768 -13.7768 -13.7704 -13.7704 -12.5852 -12.5852 -12.5497 -12.5497 -12.2675 -12.2675 -12.2611 -12.2611 -12.0463 -12.0463 -12.0316 -12.0316 1.5685 1.5685 5.0923 5.0923 5.9869 5.9869 6.0974 6.0974 6.1119 6.1119 8.7770 8.7770 8.8170 8.8170 8.9827 8.9827 10.7581 10.7581 10.8224 10.8224 10.8500 10.8500 11.3961 11.3961 k = 0.4022 0.5000 0.4022 ( 3468 PWs) bands (ev): -32.6955 -32.6955 -32.6921 -32.6921 -32.6887 -32.6887 -13.8653 -13.8653 -13.7767 -13.7767 -13.7686 -13.7686 -12.5822 -12.5822 -12.5479 -12.5479 -12.2697 -12.2697 -12.2617 -12.2617 -12.0515 -12.0515 -12.0332 -12.0332 1.5347 1.5347 5.0992 5.0992 5.9976 5.9976 6.1358 6.1358 6.1517 6.1517 8.7361 8.7361 8.7766 8.7766 8.9762 8.9762 10.7882 10.7882 10.8587 10.8587 10.8880 10.8880 11.3808 11.3808 k = 0.3913 0.5000 0.3913 ( 3464 PWs) bands (ev): -32.6963 -32.6963 -32.6921 -32.6921 -32.6880 -32.6880 -13.8624 -13.8624 -13.7766 -13.7766 -13.7665 -13.7665 -12.5790 -12.5790 -12.5459 -12.5459 -12.2722 -12.2722 -12.2624 -12.2624 -12.0572 -12.0572 -12.0349 -12.0349 1.4981 1.4981 5.1059 5.1059 6.0100 6.0100 6.1781 6.1781 6.1950 6.1950 8.6934 8.6934 8.7354 8.7354 8.9700 8.9700 10.8211 10.8211 10.8950 10.8950 10.9255 10.9255 11.3637 11.3637 k = 0.3804 0.5000 0.3804 ( 3470 PWs) bands (ev): -32.6971 -32.6971 -32.6921 -32.6921 -32.6871 -32.6871 -13.8594 -13.8594 -13.7764 -13.7764 -13.7641 -13.7641 -12.5756 -12.5756 -12.5436 -12.5436 -12.2749 -12.2749 -12.2631 -12.2631 -12.0633 -12.0633 -12.0368 -12.0368 1.4590 1.4590 5.1123 5.1123 6.0242 6.0242 6.2238 6.2238 6.2418 6.2418 8.6489 8.6489 8.6949 8.6949 8.9639 8.9639 10.8567 10.8567 10.9300 10.9300 10.9617 10.9617 11.3440 11.3440 k = 0.3696 0.5000 0.3696 ( 3470 PWs) bands (ev): -32.6981 -32.6981 -32.6921 -32.6921 -32.6863 -32.6863 -13.8563 -13.8563 -13.7763 -13.7763 -13.7616 -13.7616 -12.5721 -12.5721 -12.5410 -12.5410 -12.2778 -12.2778 -12.2639 -12.2639 -12.0698 -12.0698 -12.0387 -12.0387 1.4175 1.4175 5.1179 5.1179 6.0404 6.0404 6.2725 6.2725 6.2920 6.2920 8.6027 8.6027 8.6564 8.6564 8.9580 8.9580 10.8948 10.8948 10.9622 10.9622 10.9957 10.9957 11.3205 11.3205 k = 0.3587 0.5000 0.3587 ( 3480 PWs) bands (ev): -32.6991 -32.6991 -32.6922 -32.6922 -32.6853 -32.6853 -13.8532 -13.8532 -13.7760 -13.7760 -13.7587 -13.7587 -12.5684 -12.5684 -12.5380 -12.5380 -12.2809 -12.2809 -12.2647 -12.2647 -12.0766 -12.0766 -12.0409 -12.0409 1.3741 1.3741 5.1224 5.1224 6.0587 6.0587 6.3234 6.3234 6.3457 6.3457 8.5552 8.5552 8.6206 8.6206 8.9521 8.9521 10.9346 10.9346 10.9896 10.9896 11.0274 11.0274 11.2927 11.2927 k = 0.3478 0.5000 0.3478 ( 3456 PWs) bands (ev): -32.7000 -32.7000 -32.6922 -32.6922 -32.6843 -32.6843 -13.8502 -13.8502 -13.7758 -13.7758 -13.7557 -13.7557 -12.5646 -12.5646 -12.5347 -12.5347 -12.2842 -12.2842 -12.2656 -12.2656 -12.0837 -12.0837 -12.0431 -12.0431 1.3291 1.3291 5.1257 5.1257 6.0793 6.0793 6.3758 6.3758 6.4032 6.4032 8.5068 8.5068 8.5882 8.5882 8.9465 8.9465 10.9732 10.9732 11.0118 11.0118 11.0572 11.0572 11.2607 11.2607 k = 0.3370 0.5000 0.3370 ( 3452 PWs) bands (ev): -32.7011 -32.7011 -32.6922 -32.6922 -32.6833 -32.6833 -13.8472 -13.8472 -13.7755 -13.7755 -13.7523 -13.7523 -12.5609 -12.5609 -12.5310 -12.5310 -12.2876 -12.2876 -12.2666 -12.2666 -12.0910 -12.0910 -12.0454 -12.0454 1.2826 1.2826 5.1274 5.1274 6.1024 6.1024 6.4289 6.4289 6.4642 6.4642 8.4583 8.4583 8.5593 8.5593 8.9411 8.9411 10.9976 10.9976 11.0395 11.0395 11.0858 11.0858 11.2252 11.2252 k = 0.3261 0.5000 0.3261 ( 3448 PWs) bands (ev): -32.7022 -32.7022 -32.6922 -32.6922 -32.6822 -32.6822 -13.8444 -13.8444 -13.7751 -13.7751 -13.7488 -13.7488 -12.5572 -12.5572 -12.5268 -12.5268 -12.2912 -12.2912 -12.2676 -12.2676 -12.0986 -12.0986 -12.0477 -12.0477 1.2350 1.2350 5.1273 5.1273 6.1279 6.1279 6.4823 6.4823 6.5289 6.5289 8.4102 8.4102 8.5342 8.5342 8.9359 8.9359 10.9984 10.9984 11.0799 11.0799 11.1140 11.1140 11.1868 11.1868 k = 0.3152 0.5000 0.3152 ( 3456 PWs) bands (ev): -32.7034 -32.7034 -32.6922 -32.6922 -32.6811 -32.6811 -13.8418 -13.8418 -13.7747 -13.7747 -13.7450 -13.7450 -12.5536 -12.5536 -12.5222 -12.5222 -12.2949 -12.2949 -12.2687 -12.2687 -12.1062 -12.1062 -12.0502 -12.0502 1.1866 1.1866 5.1251 5.1251 6.1561 6.1561 6.5355 6.5355 6.5967 6.5967 8.3632 8.3632 8.5131 8.5131 8.9311 8.9311 10.9853 10.9853 11.1174 11.1174 11.1400 11.1400 11.1549 11.1549 k = 0.3043 0.5000 0.3043 ( 3452 PWs) bands (ev): -32.7046 -32.7046 -32.6922 -32.6922 -32.6799 -32.6799 -13.8394 -13.8394 -13.7741 -13.7741 -13.7410 -13.7410 -12.5501 -12.5501 -12.5173 -12.5173 -12.2986 -12.2986 -12.2698 -12.2698 -12.1140 -12.1140 -12.0526 -12.0526 1.1376 1.1376 5.1209 5.1209 6.1868 6.1868 6.5880 6.5880 6.6676 6.6676 8.3177 8.3177 8.4962 8.4962 8.9266 8.9266 10.9628 10.9628 11.0967 11.0967 11.1503 11.1503 11.1952 11.1952 k = 0.2935 0.5000 0.2935 ( 3452 PWs) bands (ev): -32.7058 -32.7058 -32.6923 -32.6923 -32.6787 -32.6787 -13.8373 -13.8373 -13.7735 -13.7735 -13.7367 -13.7367 -12.5467 -12.5467 -12.5119 -12.5119 -12.3024 -12.3024 -12.2710 -12.2710 -12.1218 -12.1218 -12.0551 -12.0551 1.0883 1.0883 5.1146 5.1146 6.2202 6.2202 6.6393 6.6393 6.7412 6.7412 8.2743 8.2743 8.4834 8.4834 8.9225 8.9225 10.9332 10.9332 11.0512 11.0512 11.1709 11.1709 11.2480 11.2480 k = 0.2826 0.5000 0.2826 ( 3464 PWs) bands (ev): -32.7071 -32.7071 -32.6923 -32.6923 -32.6775 -32.6775 -13.8354 -13.8354 -13.7728 -13.7728 -13.7324 -13.7324 -12.5433 -12.5433 -12.5063 -12.5063 -12.3061 -12.3061 -12.2723 -12.2723 -12.1297 -12.1297 -12.0575 -12.0575 1.0388 1.0388 5.1060 5.1060 6.2561 6.2561 6.6888 6.6888 6.8173 6.8173 8.2336 8.2336 8.4749 8.4749 8.9189 8.9189 10.8980 10.8980 11.0030 11.0030 11.1887 11.1887 11.3043 11.3043 k = 0.2717 0.5000 0.2717 ( 3460 PWs) bands (ev): -32.7084 -32.7084 -32.6923 -32.6923 -32.6763 -32.6763 -13.8339 -13.8339 -13.7720 -13.7720 -13.7279 -13.7279 -12.5401 -12.5401 -12.5004 -12.5004 -12.3099 -12.3099 -12.2736 -12.2736 -12.1376 -12.1376 -12.0600 -12.0600 0.9895 0.9895 5.0954 5.0954 6.2943 6.2943 6.7360 6.7360 6.8954 6.8954 8.1962 8.1962 8.4707 8.4707 8.9158 8.9158 10.8582 10.8582 10.9533 10.9533 11.2041 11.2041 11.3630 11.3630 k = 0.2609 0.5000 0.2609 ( 3472 PWs) bands (ev): -32.7096 -32.7096 -32.6924 -32.6924 -32.6751 -32.6751 -13.8327 -13.8327 -13.7710 -13.7710 -13.7232 -13.7232 -12.5370 -12.5370 -12.4943 -12.4943 -12.3135 -12.3135 -12.2750 -12.2750 -12.1454 -12.1454 -12.0623 -12.0623 0.9405 0.9405 5.0828 5.0828 6.3348 6.3348 6.7800 6.7800 6.9755 6.9755 8.1626 8.1626 8.4706 8.4706 8.9132 8.9132 10.8145 10.8145 10.9025 10.9025 11.2175 11.2175 11.4235 11.4235 k = 0.2500 0.5000 0.2500 ( 3464 PWs) bands (ev): -32.7109 -32.7109 -32.6924 -32.6924 -32.6739 -32.6739 -13.8319 -13.8319 -13.7700 -13.7700 -13.7185 -13.7185 -12.5340 -12.5340 -12.4880 -12.4880 -12.3170 -12.3170 -12.2765 -12.2765 -12.1532 -12.1532 -12.0646 -12.0646 0.8920 0.8920 5.0683 5.0683 6.3774 6.3774 6.8204 6.8204 7.0570 7.0570 8.1336 8.1336 8.4747 8.4747 8.9112 8.9112 10.7674 10.7674 10.8509 10.8509 11.2292 11.2292 11.4659 11.4659 k = 0.2391 0.5000 0.2391 ( 3476 PWs) bands (ev): -32.7122 -32.7122 -32.6924 -32.6924 -32.6726 -32.6726 -13.8313 -13.8313 -13.7688 -13.7688 -13.7138 -13.7138 -12.5311 -12.5311 -12.4816 -12.4816 -12.3202 -12.3202 -12.2780 -12.2780 -12.1609 -12.1609 -12.0668 -12.0668 0.8442 0.8442 5.0523 5.0523 6.4217 6.4217 6.8564 6.8564 7.1398 7.1398 8.1098 8.1098 8.4826 8.4826 8.9098 8.9098 10.7173 10.7173 10.7990 10.7990 11.2395 11.2395 11.4750 11.4750 k = 0.2283 0.5000 0.2283 ( 3476 PWs) bands (ev): -32.7135 -32.7135 -32.6924 -32.6924 -32.6714 -32.6714 -13.8310 -13.8310 -13.7676 -13.7676 -13.7091 -13.7091 -12.5283 -12.5283 -12.4752 -12.4752 -12.3233 -12.3233 -12.2796 -12.2796 -12.1685 -12.1685 -12.0689 -12.0689 0.7973 0.7973 5.0348 5.0348 6.4676 6.4676 6.8874 6.8874 7.2235 7.2235 8.0916 8.0916 8.4943 8.4943 8.9090 8.9090 10.6649 10.6649 10.7471 10.7471 11.2487 11.2487 11.4817 11.4817 k = 0.2174 0.5000 0.2174 ( 3468 PWs) bands (ev): -32.7148 -32.7148 -32.6924 -32.6924 -32.6701 -32.6701 -13.8311 -13.8311 -13.7663 -13.7663 -13.7044 -13.7044 -12.5256 -12.5256 -12.4688 -12.4688 -12.3260 -12.3260 -12.2812 -12.2812 -12.1760 -12.1760 -12.0708 -12.0708 0.7514 0.7514 5.0161 5.0161 6.5147 6.5147 6.9130 6.9130 7.3078 7.3078 8.0796 8.0796 8.5096 8.5096 8.9087 8.9087 10.6103 10.6103 10.6954 10.6954 11.2572 11.2572 11.4865 11.4865 k = 0.2065 0.5000 0.2065 ( 3480 PWs) bands (ev): -32.7160 -32.7160 -32.6925 -32.6925 -32.6689 -32.6689 -13.8313 -13.8313 -13.7649 -13.7649 -13.6998 -13.6998 -12.5231 -12.5231 -12.4623 -12.4623 -12.3285 -12.3285 -12.2830 -12.2830 -12.1835 -12.1835 -12.0726 -12.0726 0.7068 0.7068 4.9966 4.9966 6.5627 6.5627 6.9329 6.9329 7.3922 7.3922 8.0740 8.0740 8.5280 8.5280 8.9091 8.9091 10.5542 10.5542 10.6444 10.6444 11.2652 11.2652 11.4895 11.4895 k = 0.1957 0.5000 0.1957 ( 3482 PWs) bands (ev): -32.7173 -32.7173 -32.6925 -32.6925 -32.6677 -32.6677 -13.8318 -13.8318 -13.7635 -13.7635 -13.6953 -13.6953 -12.5207 -12.5207 -12.4560 -12.4560 -12.3306 -12.3306 -12.2848 -12.2848 -12.1908 -12.1908 -12.0741 -12.0741 0.6635 0.6635 4.9763 4.9763 6.6113 6.6113 6.9469 6.9469 7.4764 7.4764 8.0748 8.0748 8.5494 8.5494 8.9100 8.9100 10.4968 10.4968 10.5941 10.5941 11.2730 11.2730 11.4912 11.4912 k = 0.1848 0.5000 0.1848 ( 3482 PWs) bands (ev): -32.7185 -32.7185 -32.6925 -32.6925 -32.6666 -32.6666 -13.8325 -13.8325 -13.7620 -13.7620 -13.6909 -13.6909 -12.5185 -12.5185 -12.4497 -12.4497 -12.3323 -12.3323 -12.2867 -12.2867 -12.1979 -12.1979 -12.0755 -12.0755 0.6218 0.6218 4.9557 4.9557 6.6602 6.6602 6.9554 6.9554 7.5600 7.5600 8.0819 8.0819 8.5734 8.5734 8.9115 8.9115 10.4386 10.4386 10.5450 10.5450 11.2810 11.2810 11.4916 11.4916 k = 0.1739 0.5000 0.1739 ( 3474 PWs) bands (ev): -32.7196 -32.7196 -32.6925 -32.6925 -32.6654 -32.6654 -13.8333 -13.8333 -13.7606 -13.7606 -13.6866 -13.6866 -12.5165 -12.5165 -12.4435 -12.4435 -12.3335 -12.3335 -12.2887 -12.2887 -12.2050 -12.2050 -12.0767 -12.0767 0.5817 0.5817 4.9349 4.9349 6.7090 6.7090 6.9586 6.9586 7.6426 7.6426 8.0948 8.0948 8.5997 8.5997 8.9135 8.9135 10.3801 10.3801 10.4972 10.4972 11.2895 11.2895 11.4912 11.4912 k = 0.1630 0.5000 0.1630 ( 3464 PWs) bands (ev): -32.7207 -32.7207 -32.6925 -32.6925 -32.6644 -32.6644 -13.8343 -13.8343 -13.7591 -13.7591 -13.6826 -13.6826 -12.5147 -12.5147 -12.4374 -12.4374 -12.3344 -12.3344 -12.2908 -12.2908 -12.2118 -12.2118 -12.0777 -12.0777 0.5434 0.5434 4.9142 4.9142 6.7573 6.7573 6.9573 6.9573 7.7237 7.7237 8.1129 8.1129 8.6278 8.6278 8.9160 8.9160 10.3216 10.3216 10.4511 10.4511 11.2987 11.2987 11.4901 11.4901 k = 0.1522 0.5000 0.1522 ( 3468 PWs) bands (ev): -32.7218 -32.7218 -32.6926 -32.6926 -32.6633 -32.6633 -13.8354 -13.8354 -13.7577 -13.7577 -13.6787 -13.6787 -12.5132 -12.5132 -12.4315 -12.4315 -12.3349 -12.3349 -12.2930 -12.2930 -12.2186 -12.2186 -12.0785 -12.0785 0.5069 0.5069 4.8937 4.8937 6.8048 6.8048 6.9521 6.9521 7.8027 7.8027 8.1354 8.1354 8.6573 8.6573 8.9189 8.9189 10.2636 10.2636 10.4067 10.4067 11.3090 11.3090 11.4884 11.4884 k = 0.1413 0.5000 0.1413 ( 3468 PWs) bands (ev): -32.7228 -32.7228 -32.6926 -32.6926 -32.6623 -32.6623 -13.8365 -13.8365 -13.7563 -13.7563 -13.6751 -13.6751 -12.5118 -12.5118 -12.4256 -12.4256 -12.3351 -12.3351 -12.2952 -12.2952 -12.2252 -12.2252 -12.0790 -12.0790 0.4725 0.4725 4.8738 4.8738 6.8512 6.8512 6.9438 6.9438 7.8793 7.8793 8.1615 8.1615 8.6877 8.6877 8.9223 8.9223 10.2065 10.2065 10.3644 10.3644 11.3207 11.3207 11.4862 11.4862 k = 0.1304 0.5000 0.1304 ( 3472 PWs) bands (ev): -32.7238 -32.7238 -32.6926 -32.6926 -32.6614 -32.6614 -13.8377 -13.8377 -13.7550 -13.7550 -13.6716 -13.6716 -12.5107 -12.5107 -12.4198 -12.4198 -12.3349 -12.3349 -12.2976 -12.2976 -12.2316 -12.2316 -12.0794 -12.0794 0.4402 0.4402 4.8546 4.8546 6.8960 6.8960 6.9334 6.9334 7.9529 7.9529 8.1904 8.1904 8.7186 8.7186 8.9259 8.9259 10.1507 10.1507 10.3242 10.3242 11.3339 11.3339 11.4838 11.4838 k = 0.1196 0.5000 0.1196 ( 3468 PWs) bands (ev): -32.7247 -32.7247 -32.6926 -32.6926 -32.6605 -32.6605 -13.8389 -13.8389 -13.7537 -13.7537 -13.6685 -13.6685 -12.5097 -12.5097 -12.4141 -12.4141 -12.3344 -12.3344 -12.3000 -12.3000 -12.2379 -12.2379 -12.0796 -12.0796 0.4101 0.4101 4.8363 4.8363 6.9212 6.9212 6.9390 6.9390 8.0228 8.0228 8.2212 8.2212 8.7495 8.7495 8.9298 8.9298 10.0967 10.0967 10.2865 10.2865 11.3488 11.3488 11.4813 11.4813 k = 0.1087 0.5000 0.1087 ( 3464 PWs) bands (ev): -32.7255 -32.7255 -32.6926 -32.6926 -32.6597 -32.6597 -13.8401 -13.8401 -13.7525 -13.7525 -13.6656 -13.6656 -12.5090 -12.5090 -12.4084 -12.4084 -12.3338 -12.3338 -12.3024 -12.3024 -12.2439 -12.2439 -12.0796 -12.0796 0.3824 0.3824 4.8190 4.8190 6.9084 6.9084 6.9796 6.9796 8.0884 8.0884 8.2534 8.2534 8.7799 8.7799 8.9339 8.9339 10.0448 10.0448 10.2513 10.2513 11.3654 11.3654 11.4787 11.4787 k = 0.0978 0.5000 0.0978 ( 3460 PWs) bands (ev): -32.7263 -32.7263 -32.6926 -32.6926 -32.6589 -32.6589 -13.8412 -13.8412 -13.7514 -13.7514 -13.6629 -13.6629 -12.5084 -12.5084 -12.4028 -12.4028 -12.3330 -12.3330 -12.3048 -12.3048 -12.2497 -12.2497 -12.0795 -12.0795 0.3570 0.3570 4.8029 4.8029 6.8953 6.8953 7.0176 7.0176 8.1492 8.1492 8.2863 8.2863 8.8092 8.8092 8.9382 8.9382 9.9956 9.9956 10.2188 10.2188 11.3837 11.3837 11.4762 11.4762 k = 0.0870 0.5000 0.0870 ( 3460 PWs) bands (ev): -32.7270 -32.7270 -32.6927 -32.6927 -32.6582 -32.6582 -13.8423 -13.8423 -13.7503 -13.7503 -13.6605 -13.6605 -12.5080 -12.5080 -12.3974 -12.3974 -12.3324 -12.3324 -12.3070 -12.3070 -12.2553 -12.2553 -12.0793 -12.0793 0.3341 0.3341 4.7882 4.7882 6.8824 6.8824 7.0526 7.0526 8.2043 8.2043 8.3193 8.3193 8.8368 8.8368 8.9425 8.9425 9.9494 9.9494 10.1893 10.1893 11.4034 11.4034 11.4740 11.4740 k = 0.0761 0.5000 0.0761 ( 3464 PWs) bands (ev): -32.7276 -32.7276 -32.6927 -32.6927 -32.6576 -32.6576 -13.8433 -13.8433 -13.7494 -13.7494 -13.6584 -13.6584 -12.5076 -12.5076 -12.3919 -12.3919 -12.3319 -12.3319 -12.3090 -12.3090 -12.2606 -12.2606 -12.0790 -12.0790 0.3137 0.3137 4.7749 4.7749 6.8701 6.8701 7.0844 7.0844 8.2532 8.2532 8.3518 8.3518 8.8623 8.8623 8.9468 8.9468 9.9069 9.9069 10.1628 10.1628 11.4239 11.4239 11.4724 11.4724 k = 0.0652 0.5000 0.0652 ( 3468 PWs) bands (ev): -32.7282 -32.7282 -32.6927 -32.6927 -32.6571 -32.6571 -13.8443 -13.8443 -13.7486 -13.7486 -13.6566 -13.6566 -12.5074 -12.5074 -12.3866 -12.3866 -12.3320 -12.3320 -12.3104 -12.3104 -12.2655 -12.2655 -12.0787 -12.0787 0.2959 0.2959 4.7632 4.7632 6.8589 6.8589 7.1126 7.1126 8.2954 8.2954 8.3832 8.3832 8.8851 8.8851 8.9513 8.9513 9.8684 9.8684 10.1395 10.1395 11.4433 11.4433 11.4727 11.4727 k = 0.0543 0.5000 0.0543 ( 3476 PWs) bands (ev): -32.7286 -32.7286 -32.6927 -32.6927 -32.6567 -32.6567 -13.8451 -13.8451 -13.7479 -13.7479 -13.6550 -13.6550 -12.5073 -12.5073 -12.3815 -12.3815 -12.3328 -12.3328 -12.3112 -12.3112 -12.2701 -12.2701 -12.0784 -12.0784 0.2807 0.2807 4.7531 4.7531 6.8489 6.8489 7.1370 7.1370 8.3307 8.3307 8.4125 8.4125 8.9045 8.9045 8.9558 8.9558 9.8346 9.8346 10.1196 10.1196 11.4560 11.4560 11.4799 11.4799 k = 0.0435 0.5000 0.0435 ( 3480 PWs) bands (ev): -32.7290 -32.7290 -32.6927 -32.6927 -32.6563 -32.6563 -13.8458 -13.8458 -13.7473 -13.7473 -13.6537 -13.6537 -12.5072 -12.5072 -12.3766 -12.3766 -12.3343 -12.3343 -12.3113 -12.3113 -12.2741 -12.2741 -12.0781 -12.0781 0.2683 0.2683 4.7448 4.7448 6.8404 6.8404 7.1572 7.1572 8.3592 8.3592 8.4386 8.4386 8.9199 8.9199 8.9607 8.9607 9.8059 9.8059 10.1031 10.1031 11.4590 11.4590 11.4959 11.4959 k = 0.0326 0.5000 0.0326 ( 3480 PWs) bands (ev): -32.7293 -32.7293 -32.6927 -32.6927 -32.6560 -32.6560 -13.8463 -13.8463 -13.7468 -13.7468 -13.6527 -13.6527 -12.5071 -12.5071 -12.3721 -12.3721 -12.3364 -12.3364 -12.3109 -12.3109 -12.2776 -12.2776 -12.0778 -12.0778 0.2586 0.2586 4.7382 4.7382 6.8336 6.8336 7.1732 7.1732 8.3811 8.3811 8.4603 8.4603 8.9310 8.9310 8.9657 8.9657 9.7830 9.7830 10.0901 10.0901 11.4590 11.4590 11.5128 11.5128 k = 0.0217 0.5000 0.0217 ( 3480 PWs) bands (ev): -32.7295 -32.7295 -32.6927 -32.6927 -32.6558 -32.6558 -13.8467 -13.8467 -13.7465 -13.7465 -13.6520 -13.6520 -12.5071 -12.5071 -12.3683 -12.3683 -12.3386 -12.3386 -12.3103 -12.3103 -12.2803 -12.2803 -12.0776 -12.0776 0.2516 0.2516 4.7335 4.7335 6.8287 6.8287 7.1848 7.1848 8.3967 8.3967 8.4764 8.4764 8.9381 8.9381 8.9705 8.9705 9.7662 9.7662 10.0808 10.0808 11.4585 11.4585 11.5267 11.5267 k = 0.0109 0.5000 0.0109 ( 3480 PWs) bands (ev): -32.7297 -32.7297 -32.6927 -32.6927 -32.6557 -32.6557 -13.8469 -13.8469 -13.7463 -13.7463 -13.6516 -13.6516 -12.5071 -12.5071 -12.3655 -12.3655 -12.3405 -12.3405 -12.3097 -12.3097 -12.2821 -12.2821 -12.0774 -12.0774 0.2474 0.2474 4.7307 4.7307 6.8257 6.8257 7.1918 7.1918 8.4061 8.4061 8.4864 8.4864 8.9418 8.9418 8.9739 8.9739 9.7560 9.7560 10.0752 10.0752 11.4581 11.4581 11.5358 11.5358 k = 0.0000 0.5000-0.0000 ( 3450 PWs) bands (ev): -32.7296 -32.7296 -32.6927 -32.6927 -32.6556 -32.6556 -13.8470 -13.8470 -13.7463 -13.7463 -13.6514 -13.6514 -12.5071 -12.5071 -12.3644 -12.3644 -12.3412 -12.3412 -12.3094 -12.3094 -12.2827 -12.2827 -12.0774 -12.0774 0.2460 0.2460 4.7298 4.7298 6.8247 6.8247 7.1941 7.1941 8.4092 8.4092 8.4898 8.4898 8.9430 8.9430 8.9752 8.9752 9.7526 9.7526 10.0733 10.0733 11.4580 11.4580 11.5389 11.5389 k = 0.5000 0.5000-0.0000 ( 3468 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7906 -13.7906 -13.7644 -13.7644 -13.7447 -13.7447 -12.4911 -12.4911 -12.4707 -12.4707 -12.3548 -12.3548 -12.2849 -12.2849 -12.1916 -12.1916 -12.0731 -12.0731 0.9635 0.9635 5.3462 5.3462 6.1589 6.1589 6.1807 6.1807 7.9091 7.9091 8.1960 8.1960 8.2141 8.2141 8.7152 8.7152 10.9946 10.9946 11.0280 11.0280 11.1127 11.1127 11.3089 11.3089 k = 0.5000 0.5000 0.0152 ( 3468 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7908 -13.7908 -13.7644 -13.7644 -13.7448 -13.7448 -12.4913 -12.4913 -12.4713 -12.4713 -12.3542 -12.3542 -12.2848 -12.2848 -12.1911 -12.1911 -12.0730 -12.0730 0.9648 0.9648 5.3454 5.3454 6.1585 6.1585 6.1802 6.1802 7.9039 7.9039 8.1968 8.1968 8.2150 8.2150 8.7159 8.7159 10.9957 10.9957 11.0291 11.0291 11.1133 11.1133 11.3089 11.3089 k = 0.5000 0.5000 0.0303 ( 3472 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7915 -13.7915 -13.7645 -13.7645 -13.7450 -13.7450 -12.4921 -12.4921 -12.4730 -12.4730 -12.3527 -12.3527 -12.2846 -12.2846 -12.1897 -12.1897 -12.0727 -12.0727 0.9689 0.9689 5.3433 5.3433 6.1573 6.1573 6.1787 6.1787 7.8887 7.8887 8.1993 8.1993 8.2179 8.2179 8.7179 8.7179 10.9989 10.9989 11.0324 11.0324 11.1152 11.1152 11.3088 11.3088 k = 0.5000 0.5000 0.0455 ( 3480 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7926 -13.7926 -13.7647 -13.7647 -13.7453 -13.7453 -12.4933 -12.4933 -12.4758 -12.4758 -12.3502 -12.3502 -12.2843 -12.2843 -12.1873 -12.1873 -12.0723 -12.0723 0.9755 0.9755 5.3398 5.3398 6.1552 6.1552 6.1763 6.1763 7.8636 7.8636 8.2035 8.2035 8.2227 8.2227 8.7213 8.7213 11.0041 11.0041 11.0377 11.0377 11.1180 11.1180 11.3087 11.3087 k = 0.5000 0.5000 0.0606 ( 3480 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7941 -13.7941 -13.7649 -13.7649 -13.7457 -13.7457 -12.4950 -12.4950 -12.4794 -12.4794 -12.3470 -12.3470 -12.2839 -12.2839 -12.1840 -12.1840 -12.0716 -12.0716 0.9848 0.9848 5.3348 5.3348 6.1524 6.1524 6.1730 6.1730 7.8289 7.8289 8.2096 8.2096 8.2295 8.2295 8.7259 8.7259 11.0110 11.0110 11.0450 11.0450 11.1213 11.1213 11.3083 11.3083 k = 0.5000 0.5000 0.0758 ( 3484 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7960 -13.7960 -13.7651 -13.7651 -13.7463 -13.7463 -12.4970 -12.4970 -12.4838 -12.4838 -12.3431 -12.3431 -12.2834 -12.2834 -12.1799 -12.1799 -12.0707 -12.0707 0.9967 0.9967 5.3286 5.3286 6.1488 6.1488 6.1688 6.1688 7.7853 7.7853 8.2175 8.2175 8.2383 8.2383 8.7318 8.7318 11.0194 11.0194 11.0540 11.0540 11.1246 11.1246 11.3078 11.3078 k = 0.5000 0.5000 0.0909 ( 3488 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.7983 -13.7983 -13.7654 -13.7654 -13.7470 -13.7470 -12.4994 -12.4994 -12.4887 -12.4887 -12.3388 -12.3388 -12.2828 -12.2828 -12.1750 -12.1750 -12.0697 -12.0697 1.0111 1.0111 5.3212 5.3212 6.1445 6.1445 6.1636 6.1636 7.7335 7.7335 8.2274 8.2274 8.2493 8.2493 8.7389 8.7389 11.0290 11.0290 11.0645 11.0645 11.1271 11.1271 11.3069 11.3069 k = 0.5000 0.5000 0.1061 ( 3488 PWs) bands (ev): -32.6925 -32.6925 -32.6924 -32.6924 -32.6924 -32.6924 -13.8010 -13.8010 -13.7658 -13.7658 -13.7478 -13.7478 -12.5021 -12.5021 -12.4941 -12.4941 -12.3342 -12.3342 -12.2821 -12.2821 -12.1694 -12.1694 -12.0685 -12.0685 1.0280 1.0280 5.3126 5.3126 6.1393 6.1393 6.1576 6.1576 7.6741 7.6741 8.2394 8.2394 8.2623 8.2623 8.7471 8.7471 11.0390 11.0390 11.0761 11.0761 11.1286 11.1286 11.3056 11.3056 k = 0.5000 0.5000 0.1212 ( 3480 PWs) bands (ev): -32.6925 -32.6925 -32.6923 -32.6923 -32.6923 -32.6923 -13.8039 -13.8039 -13.7662 -13.7662 -13.7487 -13.7487 -12.5049 -12.5049 -12.4997 -12.4997 -12.3294 -12.3294 -12.2812 -12.2812 -12.1633 -12.1633 -12.0671 -12.0671 1.0473 1.0473 5.3030 5.3030 6.1335 6.1335 6.1507 6.1507 7.6081 7.6081 8.2535 8.2535 8.2776 8.2776 8.7563 8.7563 11.0487 11.0487 11.0886 11.0886 11.1288 11.1288 11.3039 11.3039 k = 0.5000 0.5000 0.1364 ( 3472 PWs) bands (ev): -32.6924 -32.6924 -32.6923 -32.6923 -32.6923 -32.6923 -13.8071 -13.8071 -13.7666 -13.7666 -13.7498 -13.7498 -12.5080 -12.5080 -12.5056 -12.5056 -12.3244 -12.3244 -12.2803 -12.2803 -12.1566 -12.1566 -12.0656 -12.0656 1.0688 1.0688 5.2924 5.2924 6.1269 6.1269 6.1431 6.1431 7.5361 7.5361 8.2698 8.2698 8.2951 8.2951 8.7664 8.7664 11.0567 11.0567 11.1014 11.1014 11.1280 11.1280 11.3017 11.3017 k = 0.5000 0.5000 0.1515 ( 3468 PWs) bands (ev): -32.6924 -32.6924 -32.6923 -32.6923 -32.6923 -32.6923 -13.8106 -13.8106 -13.7671 -13.7671 -13.7509 -13.7509 -12.5116 -12.5116 -12.5111 -12.5111 -12.3195 -12.3195 -12.2794 -12.2794 -12.1496 -12.1496 -12.0639 -12.0639 1.0926 1.0926 5.2810 5.2810 6.1197 6.1197 6.1347 6.1347 7.4591 7.4591 8.2884 8.2884 8.3150 8.3150 8.7774 8.7774 11.0611 11.0611 11.1139 11.1139 11.1273 11.1273 11.2991 11.2991 k = 0.5000 0.5000 0.1667 ( 3468 PWs) bands (ev): -32.6924 -32.6924 -32.6923 -32.6923 -32.6923 -32.6923 -13.8143 -13.8143 -13.7676 -13.7676 -13.7522 -13.7522 -12.5176 -12.5176 -12.5144 -12.5144 -12.3146 -12.3146 -12.2783 -12.2783 -12.1422 -12.1422 -12.0621 -12.0621 1.1184 1.1184 5.2690 5.2690 6.1119 6.1119 6.1257 6.1257 7.3779 7.3779 8.3093 8.3093 8.3371 8.3371 8.7890 8.7890 11.0596 11.0596 11.1255 11.1255 11.1279 11.1279 11.2965 11.2965 k = 0.5000 0.5000 0.1818 ( 3468 PWs) bands (ev): -32.6924 -32.6924 -32.6923 -32.6923 -32.6923 -32.6923 -13.8182 -13.8182 -13.7681 -13.7681 -13.7535 -13.7535 -12.5237 -12.5237 -12.5176 -12.5176 -12.3097 -12.3097 -12.2772 -12.2772 -12.1346 -12.1346 -12.0602 -12.0602 1.1461 1.1461 5.2563 5.2563 6.1035 6.1035 6.1160 6.1160 7.2933 7.2933 8.3324 8.3324 8.3616 8.3616 8.8012 8.8012 11.0513 11.0513 11.1297 11.1297 11.1352 11.1352 11.2943 11.2943 k = 0.5000 0.5000 0.1970 ( 3468 PWs) bands (ev): -32.6924 -32.6924 -32.6923 -32.6923 -32.6923 -32.6923 -13.8222 -13.8222 -13.7687 -13.7687 -13.7549 -13.7549 -12.5296 -12.5296 -12.5208 -12.5208 -12.3051 -12.3051 -12.2761 -12.2761 -12.1269 -12.1269 -12.0581 -12.0581 1.1755 1.1755 5.2432 5.2432 6.0946 6.0946 6.1059 6.1059 7.2061 7.2061 8.3578 8.3578 8.3883 8.3883 8.8140 8.8140 11.0370 11.0370 11.1308 11.1308 11.1420 11.1420 11.2933 11.2933 k = 0.5000 0.5000 0.2121 ( 3468 PWs) bands (ev): -32.6923 -32.6923 -32.6922 -32.6922 -32.6922 -32.6922 -13.8263 -13.8263 -13.7693 -13.7693 -13.7564 -13.7564 -12.5355 -12.5355 -12.5240 -12.5240 -12.3005 -12.3005 -12.2749 -12.2749 -12.1190 -12.1190 -12.0560 -12.0560 1.2065 1.2065 5.2298 5.2298 6.0854 6.0854 6.0953 6.0953 7.1170 7.1170 8.3855 8.3855 8.4174 8.4174 8.8270 8.8270 11.0181 11.0181 11.1289 11.1289 11.1446 11.1446 11.2945 11.2945 k = 0.5000 0.5000 0.2273 ( 3468 PWs) bands (ev): -32.6923 -32.6923 -32.6922 -32.6922 -32.6922 -32.6922 -13.8305 -13.8305 -13.7699 -13.7699 -13.7579 -13.7579 -12.5412 -12.5412 -12.5271 -12.5271 -12.2962 -12.2962 -12.2737 -12.2737 -12.1112 -12.1112 -12.0538 -12.0538 1.2389 1.2389 5.2162 5.2162 6.0758 6.0758 6.0844 6.0844 7.0269 7.0269 8.4153 8.4153 8.4485 8.4485 8.8404 8.8404 10.9958 10.9958 11.1221 11.1221 11.1419 11.1419 11.2985 11.2985 k = 0.5000 0.5000 0.2424 ( 3476 PWs) bands (ev): -32.6923 -32.6923 -32.6922 -32.6922 -32.6922 -32.6922 -13.8347 -13.8347 -13.7705 -13.7705 -13.7595 -13.7595 -12.5467 -12.5467 -12.5301 -12.5301 -12.2921 -12.2921 -12.2724 -12.2724 -12.1033 -12.1033 -12.0515 -12.0515 1.2724 1.2724 5.2025 5.2025 6.0659 6.0659 6.0733 6.0733 6.9362 6.9362 8.4472 8.4472 8.4818 8.4818 8.8538 8.8538 10.9710 10.9710 11.1098 11.1098 11.1330 11.1330 11.3055 11.3055 k = 0.5000 0.5000 0.2576 ( 3476 PWs) bands (ev): -32.6923 -32.6923 -32.6922 -32.6922 -32.6922 -32.6922 -13.8389 -13.8389 -13.7711 -13.7711 -13.7611 -13.7611 -12.5521 -12.5521 -12.5329 -12.5329 -12.2882 -12.2882 -12.2712 -12.2712 -12.0957 -12.0957 -12.0493 -12.0493 1.3068 1.3068 5.1889 5.1889 6.0559 6.0559 6.0621 6.0621 6.8459 6.8459 8.4810 8.4810 8.5169 8.5169 8.8673 8.8673 10.9444 10.9444 11.0920 11.0920 11.1179 11.1179 11.3149 11.3149 k = 0.5000 0.5000 0.2727 ( 3464 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -32.6922 -32.6922 -13.8430 -13.8430 -13.7717 -13.7717 -13.7627 -13.7627 -12.5572 -12.5572 -12.5356 -12.5356 -12.2846 -12.2846 -12.2700 -12.2700 -12.0882 -12.0882 -12.0470 -12.0470 1.3419 1.3419 5.1755 5.1755 6.0459 6.0459 6.0509 6.0509 6.7566 6.7566 8.5165 8.5165 8.5538 8.5538 8.8807 8.8807 10.9166 10.9166 11.0691 11.0691 11.0970 11.0970 11.3261 11.3261 k = 0.5000 0.5000 0.2879 ( 3464 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -32.6922 -32.6922 -13.8471 -13.8471 -13.7723 -13.7723 -13.7642 -13.7642 -12.5621 -12.5621 -12.5382 -12.5382 -12.2812 -12.2812 -12.2687 -12.2687 -12.0809 -12.0809 -12.0447 -12.0447 1.3773 1.3773 5.1623 5.1623 6.0360 6.0360 6.0397 6.0397 6.6688 6.6688 8.5536 8.5536 8.5921 8.5921 8.8940 8.8940 10.8884 10.8884 11.0418 11.0418 11.0709 11.0709 11.3385 11.3385 k = 0.5000 0.5000 0.3030 ( 3484 PWs) bands (ev): -32.6922 -32.6922 -32.6922 -32.6922 -32.6922 -32.6922 -13.8510 -13.8510 -13.7729 -13.7729 -13.7658 -13.7658 -12.5667 -12.5667 -12.5406 -12.5406 -12.2780 -12.2780 -12.2676 -12.2676 -12.0739 -12.0739 -12.0424 -12.0424 1.4127 1.4127 5.1496 5.1496 6.0262 6.0262 6.0288 6.0288 6.5833 6.5833 8.5919 8.5919 8.6315 8.6315 8.9070 8.9070 10.8601 10.8601 11.0109 11.0109 11.0406 11.0406 11.3514 11.3514 k = 0.5000 0.5000 0.3182 ( 3476 PWs) bands (ev): -32.6922 -32.6922 -32.6921 -32.6921 -32.6921 -32.6921 -13.8548 -13.8548 -13.7734 -13.7734 -13.7673 -13.7673 -12.5710 -12.5710 -12.5429 -12.5429 -12.2751 -12.2751 -12.2664 -12.2664 -12.0672 -12.0672 -12.0402 -12.0402 1.4478 1.4478 5.1374 5.1374 6.0166 6.0166 6.0182 6.0182 6.5008 6.5008 8.6311 8.6311 8.6717 8.6717 8.9197 8.9197 10.8323 10.8323 10.9770 10.9770 11.0067 11.0067 11.3644 11.3644 k = 0.5000 0.5000 0.3333 ( 3468 PWs) bands (ev): -32.6922 -32.6922 -32.6921 -32.6921 -32.6921 -32.6921 -13.8584 -13.8584 -13.7740 -13.7740 -13.7687 -13.7687 -12.5750 -12.5750 -12.5449 -12.5449 -12.2725 -12.2725 -12.2653 -12.2653 -12.0610 -12.0610 -12.0381 -12.0381 1.4822 1.4822 5.1258 5.1258 6.0075 6.0075 6.0080 6.0080 6.4218 6.4218 8.6708 8.6708 8.7122 8.7122 8.9320 8.9320 10.8053 10.8053 10.9409 10.9409 10.9702 10.9702 11.3772 11.3772 k = 0.5000 0.5000 0.3485 ( 3468 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8619 -13.8619 -13.7745 -13.7745 -13.7700 -13.7700 -12.5787 -12.5787 -12.5468 -12.5468 -12.2700 -12.2700 -12.2643 -12.2643 -12.0551 -12.0551 -12.0361 -12.0361 1.5155 1.5155 5.1149 5.1149 5.9984 5.9984 5.9988 5.9988 6.3469 6.3469 8.7106 8.7106 8.7525 8.7525 8.9439 8.9439 10.7796 10.7796 10.9033 10.9033 10.9318 10.9318 11.3895 11.3895 k = 0.5000 0.5000 0.3636 ( 3460 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8650 -13.8650 -13.7750 -13.7750 -13.7713 -13.7713 -12.5821 -12.5821 -12.5485 -12.5485 -12.2679 -12.2679 -12.2633 -12.2633 -12.0497 -12.0497 -12.0342 -12.0342 1.5474 1.5474 5.1048 5.1048 5.9894 5.9894 5.9906 5.9906 6.2769 6.2769 8.7499 8.7499 8.7918 8.7918 8.9556 8.9556 10.7555 10.7555 10.8651 10.8651 10.8926 10.8926 11.4011 11.4011 k = 0.5000 0.5000 0.3788 ( 3464 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8679 -13.8679 -13.7754 -13.7754 -13.7725 -13.7725 -12.5852 -12.5852 -12.5501 -12.5501 -12.2660 -12.2660 -12.2624 -12.2624 -12.0448 -12.0448 -12.0325 -12.0325 1.5774 1.5774 5.0956 5.0956 5.9810 5.9810 5.9830 5.9830 6.2123 6.2123 8.7882 8.7882 8.8295 8.8295 8.9670 8.9670 10.7330 10.7330 10.8272 10.8272 10.8533 10.8533 11.4118 11.4118 k = 0.5000 0.5000 0.3939 ( 3472 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8706 -13.8706 -13.7758 -13.7758 -13.7736 -13.7736 -12.5879 -12.5879 -12.5514 -12.5514 -12.2643 -12.2643 -12.2616 -12.2616 -12.0403 -12.0403 -12.0309 -12.0309 1.6051 1.6051 5.0873 5.0873 5.9735 5.9735 5.9761 5.9761 6.1536 6.1536 8.8246 8.8246 8.8643 8.8643 8.9786 8.9786 10.7124 10.7124 10.7906 10.7906 10.8150 10.8150 11.4216 11.4216 k = 0.5000 0.5000 0.4091 ( 3480 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8729 -13.8729 -13.7762 -13.7762 -13.7745 -13.7745 -12.5903 -12.5903 -12.5526 -12.5526 -12.2628 -12.2628 -12.2609 -12.2609 -12.0365 -12.0365 -12.0295 -12.0295 1.6302 1.6302 5.0799 5.0799 5.9668 5.9668 5.9700 5.9700 6.1015 6.1015 8.8587 8.8587 8.8951 8.8951 8.9906 8.9906 10.6937 10.6937 10.7564 10.7564 10.7787 10.7787 11.4302 11.4302 k = 0.5000 0.5000 0.4242 ( 3488 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8749 -13.8749 -13.7765 -13.7765 -13.7753 -13.7753 -12.5923 -12.5923 -12.5536 -12.5536 -12.2616 -12.2616 -12.2603 -12.2603 -12.0331 -12.0331 -12.0283 -12.0283 1.6521 1.6521 5.0736 5.0736 5.9610 5.9610 5.9647 5.9647 6.0564 6.0564 8.8894 8.8894 8.9205 8.9205 9.0037 9.0037 10.6769 10.6769 10.7260 10.7260 10.7455 10.7455 11.4377 11.4377 k = 0.5000 0.5000 0.4394 ( 3480 PWs) bands (ev): -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -32.6921 -13.8765 -13.8765 -13.7767 -13.7767 -13.7760 -13.7760 -12.5940 -12.5940 -12.5544 -12.5544 -12.2606 -12.2606 -12.2598 -12.2598 -12.0304 -12.0304 -12.0273 -12.0273 1.6706 1.6706 5.0684 5.0684 5.9563 5.9563 5.9602 5.9602 6.0189 6.0189 8.9160 8.9160 8.9397 8.9397 9.0177 9.0177 10.6616 10.6616 10.7006 10.7006 10.7164 10.7164 11.4439 11.4439 k = 0.5000 0.5000 0.4545 ( 3464 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8778 -13.8778 -13.7769 -13.7769 -13.7765 -13.7765 -12.5953 -12.5953 -12.5550 -12.5550 -12.2598 -12.2598 -12.2594 -12.2594 -12.0282 -12.0282 -12.0265 -12.0265 1.6854 1.6854 5.0643 5.0643 5.9525 5.9525 5.9566 5.9566 5.9894 5.9894 8.9378 8.9378 8.9529 8.9529 9.0314 9.0314 10.6477 10.6477 10.6816 10.6816 10.6925 10.6925 11.4489 11.4489 k = 0.5000 0.5000 0.4697 ( 3448 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8787 -13.8787 -13.7771 -13.7771 -13.7769 -13.7769 -12.5962 -12.5962 -12.5555 -12.5555 -12.2593 -12.2593 -12.2591 -12.2591 -12.0267 -12.0267 -12.0259 -12.0259 1.6962 1.6962 5.0614 5.0614 5.9498 5.9498 5.9536 5.9536 5.9686 5.9686 8.9539 8.9539 8.9612 8.9612 9.0430 9.0430 10.6360 10.6360 10.6691 10.6691 10.6747 10.6747 11.4524 11.4524 k = 0.5000 0.5000 0.4848 ( 3448 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8793 -13.8793 -13.7772 -13.7772 -13.7771 -13.7771 -12.5967 -12.5967 -12.5558 -12.5558 -12.2590 -12.2590 -12.2589 -12.2589 -12.0258 -12.0258 -12.0256 -12.0256 1.7027 1.7027 5.0596 5.0596 5.9482 5.9482 5.9501 5.9501 5.9576 5.9576 8.9639 8.9639 8.9658 8.9658 9.0507 9.0507 10.6280 10.6280 10.6622 10.6622 10.6637 10.6637 11.4545 11.4545 k = 0.5000 0.5000 0.5000 ( 3448 PWs) bands (ev): -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -32.6920 -13.8795 -13.8795 -13.7772 -13.7772 -13.7772 -13.7772 -12.5969 -12.5969 -12.5558 -12.5558 -12.2589 -12.2589 -12.2589 -12.2589 -12.0255 -12.0255 -12.0255 -12.0255 1.7049 1.7049 5.0590 5.0590 5.9476 5.9476 5.9476 5.9476 5.9552 5.9552 8.9672 8.9672 8.9672 8.9672 9.0534 9.0534 10.6252 10.6252 10.6600 10.6600 10.6600 10.6600 11.4552 11.4552 Writing output data file Y3AlC.save init_run : 0.39s CPU 0.70s WALL ( 1 calls) electrons : 106.77s CPU 108.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 106.76s CPU 108.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 253 calls) cegterg : 93.72s CPU 94.91s WALL ( 424 calls) Called by sum_band: Called by *egterg: h_psi : 56.10s CPU 57.53s WALL ( 6357 calls) s_psi : 3.90s CPU 3.89s WALL ( 6357 calls) g_psi : 0.15s CPU 0.13s WALL ( 5680 calls) cdiaghg : 34.80s CPU 35.26s WALL ( 5933 calls) cegterg:over : 3.24s CPU 3.13s WALL ( 5680 calls) cegterg:upda : 2.74s CPU 2.59s WALL ( 5680 calls) cegterg:last : 1.60s CPU 1.48s WALL ( 930 calls) cdiaghg:chol : 1.96s CPU 1.92s WALL ( 5933 calls) cdiaghg:inve : 1.20s CPU 1.27s WALL ( 5933 calls) cdiaghg:para : 2.01s CPU 1.97s WALL ( 11866 calls) Called by h_psi: h_psi:vloc : 47.64s CPU 48.78s WALL ( 6357 calls) h_psi:vnl : 8.30s CPU 8.62s WALL ( 6357 calls) add_vuspsi : 4.30s CPU 4.49s WALL ( 6357 calls) General routines calbec : 3.98s CPU 4.12s WALL ( 6357 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.43s CPU 45.52s WALL ( 581856 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.16s WALL ( 506 calls) Parallel routines fft_scatter : 16.33s CPU 16.86s WALL ( 581879 calls) PWSCF : 1m58.32s CPU 2m23.31s WALL This run was terminated on: 16:50:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=