Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:57: 4 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: ./Y3InC.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized 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 62 31 9 2206 777 127 Max 63 32 10 2210 793 132 Sum 2233 1117 341 79501 28257 4625 bravais-lattice index = 14 lattice parameter (alat) = 9.2640 a.u. unit-cell volume = 795.0531 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 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)= 9.264004 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 In 13.00 114.81800 In( 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: 79501 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 28257 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 204, 60) NL pseudopotentials 0.23 Mb ( 102, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2210) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 204, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 150, 2, 60) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Y3InC.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 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 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.7 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.0 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 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 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.3 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.7 secs Computing kpt #: 34 total cpu time spent up to now is 21.3 secs Computing kpt #: 35 total cpu time spent up to now is 21.9 secs Computing kpt #: 36 total cpu time spent up to now is 22.5 secs Computing kpt #: 37 total cpu time spent up to now is 23.3 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.8 secs Computing kpt #: 40 total cpu time spent up to now is 25.6 secs Computing kpt #: 41 total cpu time spent up to now is 26.4 secs Computing kpt #: 42 total cpu time spent up to now is 27.0 secs Computing kpt #: 43 total cpu time spent up to now is 27.7 secs Computing kpt #: 44 total cpu time spent up to now is 28.2 secs Computing kpt #: 45 total cpu time spent up to now is 28.7 secs Computing kpt #: 46 total cpu time spent up to now is 29.3 secs Computing kpt #: 47 total cpu time spent up to now is 29.8 secs Computing kpt #: 48 total cpu time spent up to now is 30.4 secs Computing kpt #: 49 total cpu time spent up to now is 30.9 secs Computing kpt #: 50 total cpu time spent up to now is 31.4 secs Computing kpt #: 51 total cpu time spent up to now is 31.8 secs Computing kpt #: 52 total cpu time spent up to now is 32.3 secs Computing kpt #: 53 total cpu time spent up to now is 32.8 secs Computing kpt #: 54 total cpu time spent up to now is 33.2 secs Computing kpt #: 55 total cpu time spent up to now is 33.7 secs Computing kpt #: 56 total cpu time spent up to now is 34.2 secs Computing kpt #: 57 total cpu time spent up to now is 34.6 secs Computing kpt #: 58 total cpu time spent up to now is 35.1 secs Computing kpt #: 59 total cpu time spent up to now is 35.6 secs Computing kpt #: 60 total cpu time spent up to now is 36.0 secs Computing kpt #: 61 total cpu time spent up to now is 36.5 secs Computing kpt #: 62 total cpu time spent up to now is 37.0 secs Computing kpt #: 63 total cpu time spent up to now is 37.4 secs Computing kpt #: 64 total cpu time spent up to now is 37.9 secs Computing kpt #: 65 total cpu time spent up to now is 38.3 secs Computing kpt #: 66 total cpu time spent up to now is 38.7 secs Computing kpt #: 67 total cpu time spent up to now is 39.2 secs Computing kpt #: 68 total cpu time spent up to now is 39.6 secs Computing kpt #: 69 total cpu time spent up to now is 40.0 secs Computing kpt #: 70 total cpu time spent up to now is 40.4 secs Computing kpt #: 71 total cpu time spent up to now is 40.9 secs Computing kpt #: 72 total cpu time spent up to now is 41.3 secs Computing kpt #: 73 total cpu time spent up to now is 41.7 secs Computing kpt #: 74 total cpu time spent up to now is 42.2 secs Computing kpt #: 75 total cpu time spent up to now is 42.6 secs Computing kpt #: 76 total cpu time spent up to now is 43.1 secs Computing kpt #: 77 total cpu time spent up to now is 43.5 secs Computing kpt #: 78 total cpu time spent up to now is 44.0 secs Computing kpt #: 79 total cpu time spent up to now is 44.4 secs Computing kpt #: 80 total cpu time spent up to now is 44.9 secs Computing kpt #: 81 total cpu time spent up to now is 45.3 secs Computing kpt #: 82 total cpu time spent up to now is 45.8 secs Computing kpt #: 83 total cpu time spent up to now is 46.3 secs Computing kpt #: 84 total cpu time spent up to now is 46.8 secs Computing kpt #: 85 total cpu time spent up to now is 47.2 secs Computing kpt #: 86 total cpu time spent up to now is 47.7 secs Computing kpt #: 87 total cpu time spent up to now is 48.2 secs Computing kpt #: 88 total cpu time spent up to now is 48.6 secs Computing kpt #: 89 total cpu time spent up to now is 49.1 secs Computing kpt #: 90 total cpu time spent up to now is 49.5 secs Computing kpt #: 91 total cpu time spent up to now is 49.9 secs Computing kpt #: 92 total cpu time spent up to now is 50.4 secs Computing kpt #: 93 total cpu time spent up to now is 50.8 secs Computing kpt #: 94 total cpu time spent up to now is 51.2 secs Computing kpt #: 95 total cpu time spent up to now is 51.6 secs Computing kpt #: 96 total cpu time spent up to now is 52.1 secs Computing kpt #: 97 total cpu time spent up to now is 52.5 secs Computing kpt #: 98 total cpu time spent up to now is 52.9 secs Computing kpt #: 99 total cpu time spent up to now is 53.3 secs Computing kpt #: 100 total cpu time spent up to now is 53.8 secs Computing kpt #: 101 total cpu time spent up to now is 54.2 secs Computing kpt #: 102 total cpu time spent up to now is 54.6 secs Computing kpt #: 103 total cpu time spent up to now is 55.1 secs Computing kpt #: 104 total cpu time spent up to now is 55.5 secs Computing kpt #: 105 total cpu time spent up to now is 56.0 secs Computing kpt #: 106 total cpu time spent up to now is 56.4 secs Computing kpt #: 107 total cpu time spent up to now is 56.9 secs Computing kpt #: 108 total cpu time spent up to now is 57.4 secs Computing kpt #: 109 total cpu time spent up to now is 57.8 secs Computing kpt #: 110 total cpu time spent up to now is 58.3 secs Computing kpt #: 111 total cpu time spent up to now is 58.7 secs Computing kpt #: 112 total cpu time spent up to now is 59.2 secs Computing kpt #: 113 total cpu time spent up to now is 59.6 secs Computing kpt #: 114 total cpu time spent up to now is 60.0 secs Computing kpt #: 115 total cpu time spent up to now is 60.4 secs Computing kpt #: 116 total cpu time spent up to now is 60.8 secs Computing kpt #: 117 total cpu time spent up to now is 61.3 secs Computing kpt #: 118 total cpu time spent up to now is 61.7 secs Computing kpt #: 119 total cpu time spent up to now is 62.2 secs Computing kpt #: 120 total cpu time spent up to now is 62.6 secs Computing kpt #: 121 total cpu time spent up to now is 63.1 secs Computing kpt #: 122 total cpu time spent up to now is 63.5 secs Computing kpt #: 123 total cpu time spent up to now is 64.0 secs Computing kpt #: 124 total cpu time spent up to now is 64.4 secs Computing kpt #: 125 total cpu time spent up to now is 64.9 secs Computing kpt #: 126 total cpu time spent up to now is 65.4 secs Computing kpt #: 127 total cpu time spent up to now is 65.8 secs Computing kpt #: 128 total cpu time spent up to now is 66.3 secs Computing kpt #: 129 total cpu time spent up to now is 66.7 secs Computing kpt #: 130 total cpu time spent up to now is 67.2 secs Computing kpt #: 131 total cpu time spent up to now is 67.6 secs Computing kpt #: 132 total cpu time spent up to now is 68.1 secs Computing kpt #: 133 total cpu time spent up to now is 68.5 secs Computing kpt #: 134 total cpu time spent up to now is 69.0 secs Computing kpt #: 135 total cpu time spent up to now is 69.4 secs Computing kpt #: 136 total cpu time spent up to now is 69.9 secs Computing kpt #: 137 total cpu time spent up to now is 70.3 secs Computing kpt #: 138 total cpu time spent up to now is 70.8 secs Computing kpt #: 139 total cpu time spent up to now is 71.2 secs Computing kpt #: 140 total cpu time spent up to now is 71.7 secs Computing kpt #: 141 total cpu time spent up to now is 72.2 secs Computing kpt #: 142 total cpu time spent up to now is 72.6 secs Computing kpt #: 143 total cpu time spent up to now is 73.1 secs Computing kpt #: 144 total cpu time spent up to now is 73.5 secs Computing kpt #: 145 total cpu time spent up to now is 74.0 secs Computing kpt #: 146 total cpu time spent up to now is 74.5 secs Computing kpt #: 147 total cpu time spent up to now is 74.9 secs Computing kpt #: 148 total cpu time spent up to now is 75.4 secs Computing kpt #: 149 total cpu time spent up to now is 75.8 secs Computing kpt #: 150 total cpu time spent up to now is 76.3 secs Computing kpt #: 151 total cpu time spent up to now is 76.7 secs Computing kpt #: 152 total cpu time spent up to now is 77.1 secs Computing kpt #: 153 total cpu time spent up to now is 77.6 secs Computing kpt #: 154 total cpu time spent up to now is 78.0 secs Computing kpt #: 155 total cpu time spent up to now is 78.5 secs Computing kpt #: 156 total cpu time spent up to now is 79.0 secs Computing kpt #: 157 total cpu time spent up to now is 79.4 secs Computing kpt #: 158 total cpu time spent up to now is 79.9 secs Computing kpt #: 159 total cpu time spent up to now is 80.3 secs Computing kpt #: 160 total cpu time spent up to now is 80.8 secs Computing kpt #: 161 total cpu time spent up to now is 81.3 secs Computing kpt #: 162 total cpu time spent up to now is 81.7 secs Computing kpt #: 163 total cpu time spent up to now is 82.2 secs Computing kpt #: 164 total cpu time spent up to now is 82.6 secs Computing kpt #: 165 total cpu time spent up to now is 83.1 secs Computing kpt #: 166 total cpu time spent up to now is 83.6 secs Computing kpt #: 167 total cpu time spent up to now is 84.1 secs Computing kpt #: 168 total cpu time spent up to now is 84.6 secs Computing kpt #: 169 total cpu time spent up to now is 85.1 secs Computing kpt #: 170 total cpu time spent up to now is 85.6 secs Computing kpt #: 171 total cpu time spent up to now is 86.1 secs Computing kpt #: 172 total cpu time spent up to now is 86.7 secs Computing kpt #: 173 total cpu time spent up to now is 87.2 secs Computing kpt #: 174 total cpu time spent up to now is 87.7 secs Computing kpt #: 175 total cpu time spent up to now is 88.2 secs Computing kpt #: 176 total cpu time spent up to now is 88.7 secs Computing kpt #: 177 total cpu time spent up to now is 89.2 secs Computing kpt #: 178 total cpu time spent up to now is 89.7 secs Computing kpt #: 179 total cpu time spent up to now is 90.2 secs Computing kpt #: 180 total cpu time spent up to now is 90.7 secs Computing kpt #: 181 total cpu time spent up to now is 91.1 secs Computing kpt #: 182 total cpu time spent up to now is 91.6 secs Computing kpt #: 183 total cpu time spent up to now is 92.1 secs Computing kpt #: 184 total cpu time spent up to now is 92.5 secs Computing kpt #: 185 total cpu time spent up to now is 93.0 secs Computing kpt #: 186 total cpu time spent up to now is 93.5 secs Computing kpt #: 187 total cpu time spent up to now is 93.9 secs Computing kpt #: 188 total cpu time spent up to now is 94.4 secs Computing kpt #: 189 total cpu time spent up to now is 94.9 secs Computing kpt #: 190 total cpu time spent up to now is 95.4 secs Computing kpt #: 191 total cpu time spent up to now is 95.8 secs Computing kpt #: 192 total cpu time spent up to now is 96.3 secs Computing kpt #: 193 total cpu time spent up to now is 96.8 secs Computing kpt #: 194 total cpu time spent up to now is 97.2 secs Computing kpt #: 195 total cpu time spent up to now is 97.7 secs Computing kpt #: 196 total cpu time spent up to now is 98.1 secs Computing kpt #: 197 total cpu time spent up to now is 98.6 secs Computing kpt #: 198 total cpu time spent up to now is 99.1 secs Computing kpt #: 199 total cpu time spent up to now is 99.5 secs Computing kpt #: 200 total cpu time spent up to now is 100.0 secs Computing kpt #: 201 total cpu time spent up to now is 100.4 secs Computing kpt #: 202 total cpu time spent up to now is 100.8 secs Computing kpt #: 203 total cpu time spent up to now is 101.3 secs Computing kpt #: 204 total cpu time spent up to now is 101.7 secs Computing kpt #: 205 total cpu time spent up to now is 102.2 secs Computing kpt #: 206 total cpu time spent up to now is 102.6 secs Computing kpt #: 207 total cpu time spent up to now is 103.1 secs Computing kpt #: 208 total cpu time spent up to now is 103.5 secs Computing kpt #: 209 total cpu time spent up to now is 104.0 secs Computing kpt #: 210 total cpu time spent up to now is 104.5 secs Computing kpt #: 211 total cpu time spent up to now is 105.1 secs Computing kpt #: 212 total cpu time spent up to now is 105.7 secs Computing kpt #: 213 total cpu time spent up to now is 106.8 secs Computing kpt #: 214 total cpu time spent up to now is 107.7 secs Computing kpt #: 215 total cpu time spent up to now is 108.6 secs Computing kpt #: 216 total cpu time spent up to now is 109.4 secs Computing kpt #: 217 total cpu time spent up to now is 110.2 secs Computing kpt #: 218 total cpu time spent up to now is 110.9 secs Computing kpt #: 219 total cpu time spent up to now is 111.5 secs Computing kpt #: 220 total cpu time spent up to now is 111.9 secs Computing kpt #: 221 total cpu time spent up to now is 112.3 secs Computing kpt #: 222 total cpu time spent up to now is 112.7 secs Computing kpt #: 223 total cpu time spent up to now is 113.2 secs Computing kpt #: 224 total cpu time spent up to now is 113.6 secs Computing kpt #: 225 total cpu time spent up to now is 114.0 secs Computing kpt #: 226 total cpu time spent up to now is 114.4 secs Computing kpt #: 227 total cpu time spent up to now is 114.9 secs Computing kpt #: 228 total cpu time spent up to now is 115.3 secs Computing kpt #: 229 total cpu time spent up to now is 115.7 secs Computing kpt #: 230 total cpu time spent up to now is 116.2 secs Computing kpt #: 231 total cpu time spent up to now is 116.6 secs Computing kpt #: 232 total cpu time spent up to now is 117.1 secs Computing kpt #: 233 total cpu time spent up to now is 117.5 secs Computing kpt #: 234 total cpu time spent up to now is 118.0 secs Computing kpt #: 235 total cpu time spent up to now is 118.4 secs Computing kpt #: 236 total cpu time spent up to now is 118.9 secs Computing kpt #: 237 total cpu time spent up to now is 119.4 secs Computing kpt #: 238 total cpu time spent up to now is 119.8 secs Computing kpt #: 239 total cpu time spent up to now is 120.3 secs Computing kpt #: 240 total cpu time spent up to now is 120.8 secs Computing kpt #: 241 total cpu time spent up to now is 121.3 secs Computing kpt #: 242 total cpu time spent up to now is 121.7 secs Computing kpt #: 243 total cpu time spent up to now is 122.2 secs Computing kpt #: 244 total cpu time spent up to now is 122.7 secs Computing kpt #: 245 total cpu time spent up to now is 123.2 secs Computing kpt #: 246 total cpu time spent up to now is 123.7 secs Computing kpt #: 247 total cpu time spent up to now is 124.2 secs Computing kpt #: 248 total cpu time spent up to now is 124.7 secs Computing kpt #: 249 total cpu time spent up to now is 125.2 secs Computing kpt #: 250 total cpu time spent up to now is 125.8 secs Computing kpt #: 251 total cpu time spent up to now is 126.2 secs Computing kpt #: 252 total cpu time spent up to now is 126.8 secs Computing kpt #: 253 total cpu time spent up to now is 127.3 secs ethr = 2.00E-08, avg # of iterations = 18.9 total cpu time spent up to now is 127.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -31.5742 -31.5742 -31.4699 -31.4699 -31.4699 -31.4699 -12.6598 -12.6598 -12.6598 -12.6598 -12.3720 -12.3720 -11.3328 -11.3328 -11.2593 -11.2593 -11.2593 -11.2593 -11.1062 -11.1062 -10.8370 -10.8370 -10.8370 -10.8370 -3.3348 -3.3348 -3.3348 -3.3348 -2.4859 -2.4859 -2.4820 -2.4820 -2.4820 -2.4820 0.8217 0.8217 4.6818 4.6818 10.1533 10.1533 10.1533 10.1533 10.1594 10.1594 10.1594 10.1594 10.2352 10.2352 10.5706 10.5706 10.5706 10.5706 10.5728 10.5728 12.2653 12.2653 12.6073 12.6073 12.6073 12.6073 k = 0.0000 0.0152-0.0000 ( 3539 PWs) bands (ev): -31.5741 -31.5741 -31.4698 -31.4698 -31.4698 -31.4698 -12.6598 -12.6598 -12.6597 -12.6597 -12.3722 -12.3722 -11.3327 -11.3327 -11.2593 -11.2593 -11.2592 -11.2592 -11.1062 -11.1062 -10.8373 -10.8373 -10.8371 -10.8371 -3.3348 -3.3348 -3.3348 -3.3348 -2.4859 -2.4859 -2.4819 -2.4819 -2.4819 -2.4819 0.8231 0.8231 4.6831 4.6831 10.1044 10.1044 10.1546 10.1546 10.1581 10.1581 10.1882 10.1882 10.2468 10.2468 10.5697 10.5697 10.5710 10.5710 10.5730 10.5730 12.2643 12.2643 12.6004 12.6004 12.6088 12.6088 k = 0.0000 0.0303-0.0000 ( 3523 PWs) bands (ev): -31.5739 -31.5739 -31.4699 -31.4699 -31.4698 -31.4698 -12.6597 -12.6597 -12.6592 -12.6592 -12.3726 -12.3726 -11.3323 -11.3323 -11.2593 -11.2593 -11.2589 -11.2589 -11.1064 -11.1064 -10.8383 -10.8383 -10.8374 -10.8374 -3.3348 -3.3348 -3.3347 -3.3347 -2.4858 -2.4858 -2.4819 -2.4819 -2.4818 -2.4818 0.8272 0.8272 4.6872 4.6872 10.0424 10.0424 10.1508 10.1508 10.1619 10.1619 10.1944 10.1944 10.2768 10.2768 10.5668 10.5668 10.5712 10.5712 10.5745 10.5745 12.2605 12.2605 12.5818 12.5818 12.6133 12.6133 k = 0.0000 0.0455-0.0000 ( 3507 PWs) bands (ev): -31.5737 -31.5737 -31.4702 -31.4702 -31.4697 -31.4697 -12.6597 -12.6597 -12.6584 -12.6584 -12.3732 -12.3732 -11.3316 -11.3316 -11.2592 -11.2592 -11.2584 -11.2584 -11.1067 -11.1067 -10.8400 -10.8400 -10.8380 -10.8380 -3.3347 -3.3347 -3.3346 -3.3346 -2.4857 -2.4857 -2.4818 -2.4818 -2.4817 -2.4817 0.8339 0.8339 4.6940 4.6940 9.9734 9.9734 10.1414 10.1414 10.1715 10.1715 10.1891 10.1891 10.3079 10.3079 10.5620 10.5620 10.5706 10.5706 10.5777 10.5777 12.2514 12.2514 12.5571 12.5571 12.6210 12.6210 k = 0.0000 0.0606-0.0000 ( 3519 PWs) bands (ev): -31.5733 -31.5733 -31.4706 -31.4706 -31.4697 -31.4697 -12.6595 -12.6595 -12.6574 -12.6574 -12.3741 -12.3741 -11.3306 -11.3306 -11.2591 -11.2591 -11.2577 -11.2577 -11.1070 -11.1070 -10.8424 -10.8424 -10.8388 -10.8388 -3.3346 -3.3346 -3.3344 -3.3344 -2.4856 -2.4856 -2.4817 -2.4817 -2.4814 -2.4814 0.8433 0.8433 4.7034 4.7034 9.8986 9.8986 10.1286 10.1286 10.1788 10.1788 10.1851 10.1851 10.3323 10.3323 10.5553 10.5553 10.5690 10.5690 10.5824 10.5824 12.2329 12.2329 12.5346 12.5346 12.6319 12.6319 k = 0.0000 0.0758-0.0000 ( 3527 PWs) bands (ev): -31.5728 -31.5728 -31.4711 -31.4711 -31.4698 -31.4698 -12.6594 -12.6594 -12.6560 -12.6560 -12.3753 -12.3753 -11.3294 -11.3294 -11.2589 -11.2589 -11.2568 -11.2568 -11.1075 -11.1075 -10.8454 -10.8454 -10.8398 -10.8398 -3.3345 -3.3345 -3.3342 -3.3342 -2.4855 -2.4855 -2.4816 -2.4816 -2.4811 -2.4811 0.8553 0.8553 4.7155 4.7155 9.8189 9.8189 10.1129 10.1129 10.1652 10.1652 10.2026 10.2026 10.3475 10.3475 10.5466 10.5466 10.5664 10.5664 10.5884 10.5884 12.2024 12.2024 12.5219 12.5219 12.6461 12.6461 k = 0.0000 0.0909-0.0000 ( 3543 PWs) bands (ev): -31.5723 -31.5723 -31.4717 -31.4717 -31.4698 -31.4698 -12.6592 -12.6592 -12.6544 -12.6544 -12.3767 -12.3767 -11.3279 -11.3279 -11.2586 -11.2586 -11.2557 -11.2557 -11.1081 -11.1081 -10.8490 -10.8490 -10.8410 -10.8410 -3.3344 -3.3344 -3.3339 -3.3339 -2.4853 -2.4853 -2.4814 -2.4814 -2.4808 -2.4808 0.8698 0.8698 4.7301 4.7301 9.7348 9.7348 10.0948 10.0948 10.1490 10.1490 10.2239 10.2239 10.3520 10.3520 10.5361 10.5361 10.5625 10.5625 10.5958 10.5958 12.1607 12.1607 12.5226 12.5226 12.6639 12.6639 k = 0.0000 0.1061-0.0000 ( 3543 PWs) bands (ev): -31.5716 -31.5716 -31.4723 -31.4723 -31.4698 -31.4698 -12.6590 -12.6590 -12.6524 -12.6524 -12.3784 -12.3784 -11.3263 -11.3263 -11.2582 -11.2582 -11.2543 -11.2543 -11.1087 -11.1087 -10.8533 -10.8533 -10.8424 -10.8424 -3.3342 -3.3342 -3.3336 -3.3336 -2.4851 -2.4851 -2.4812 -2.4812 -2.4804 -2.4804 0.8867 0.8867 4.7473 4.7473 9.6471 9.6471 10.0747 10.0747 10.1307 10.1307 10.2489 10.2489 10.3445 10.3445 10.5238 10.5238 10.5570 10.5570 10.6045 10.6045 12.1130 12.1130 12.5357 12.5357 12.6855 12.6855 k = 0.0000 0.1212-0.0000 ( 3551 PWs) bands (ev): -31.5708 -31.5708 -31.4731 -31.4731 -31.4698 -31.4698 -12.6588 -12.6588 -12.6502 -12.6502 -12.3804 -12.3804 -11.3245 -11.3245 -11.2576 -11.2576 -11.2528 -11.2528 -11.1095 -11.1095 -10.8582 -10.8582 -10.8439 -10.8439 -3.3340 -3.3340 -3.3332 -3.3332 -2.4849 -2.4849 -2.4810 -2.4810 -2.4799 -2.4799 0.9060 0.9060 4.7669 4.7669 9.5563 9.5563 10.0531 10.0531 10.1106 10.1106 10.2777 10.2777 10.3241 10.3241 10.5097 10.5097 10.5499 10.5499 10.6144 10.6144 12.0650 12.0650 12.5588 12.5588 12.7107 12.7107 k = 0.0000 0.1364-0.0000 ( 3551 PWs) bands (ev): -31.5700 -31.5700 -31.4740 -31.4740 -31.4698 -31.4698 -12.6585 -12.6585 -12.6477 -12.6477 -12.3825 -12.3825 -11.3225 -11.3225 -11.2569 -11.2569 -11.2511 -11.2511 -11.1104 -11.1104 -10.8637 -10.8637 -10.8457 -10.8457 -3.3338 -3.3338 -3.3328 -3.3328 -2.4847 -2.4847 -2.4807 -2.4807 -2.4794 -2.4794 0.9275 0.9275 4.7890 4.7890 9.4631 9.4631 10.0303 10.0303 10.0892 10.0892 10.2906 10.2906 10.3101 10.3101 10.4939 10.4939 10.5410 10.5410 10.6255 10.6255 12.0215 12.0215 12.5895 12.5895 12.7397 12.7397 k = 0.0000 0.1515-0.0000 ( 3551 PWs) bands (ev): -31.5690 -31.5690 -31.4750 -31.4750 -31.4698 -31.4698 -12.6582 -12.6582 -12.6449 -12.6449 -12.3850 -12.3850 -11.3205 -11.3205 -11.2559 -11.2559 -11.2493 -11.2493 -11.1114 -11.1114 -10.8697 -10.8697 -10.8476 -10.8476 -3.3336 -3.3336 -3.3324 -3.3324 -2.4844 -2.4844 -2.4804 -2.4804 -2.4788 -2.4788 0.9510 0.9510 4.8133 4.8133 9.3681 9.3681 10.0068 10.0068 10.0667 10.0667 10.2439 10.2439 10.3460 10.3460 10.4764 10.4764 10.5304 10.5304 10.6377 10.6377 11.9858 11.9858 12.6265 12.6265 12.7725 12.7725 k = 0.0000 0.1667-0.0000 ( 3551 PWs) bands (ev): -31.5680 -31.5680 -31.4760 -31.4760 -31.4698 -31.4698 -12.6579 -12.6579 -12.6419 -12.6419 -12.3877 -12.3877 -11.3184 -11.3184 -11.2546 -11.2546 -11.2472 -11.2472 -11.1126 -11.1126 -10.8764 -10.8764 -10.8497 -10.8497 -3.3334 -3.3334 -3.3320 -3.3320 -2.4841 -2.4841 -2.4801 -2.4801 -2.4782 -2.4782 0.9765 0.9765 4.8397 4.8397 9.2718 9.2718 9.9829 9.9829 10.0431 10.0431 10.1850 10.1850 10.3854 10.3854 10.4573 10.4573 10.5181 10.5181 10.6510 10.6510 11.9596 11.9596 12.6684 12.6684 12.8090 12.8090 k = 0.0000 0.1818-0.0000 ( 3543 PWs) bands (ev): -31.5668 -31.5668 -31.4771 -31.4771 -31.4698 -31.4698 -12.6576 -12.6576 -12.6386 -12.6386 -12.3906 -12.3906 -11.3164 -11.3164 -11.2529 -11.2529 -11.2450 -11.2450 -11.1138 -11.1138 -10.8835 -10.8835 -10.8519 -10.8519 -3.3331 -3.3331 -3.3315 -3.3315 -2.4838 -2.4838 -2.4798 -2.4798 -2.4776 -2.4776 1.0037 1.0037 4.8682 4.8682 9.1749 9.1749 9.9588 9.9588 10.0178 10.0178 10.1158 10.1158 10.4280 10.4280 10.4369 10.4369 10.5043 10.5043 10.6653 10.6653 11.9437 11.9437 12.7146 12.7146 12.8490 12.8490 k = 0.0000 0.1970-0.0000 ( 3543 PWs) bands (ev): -31.5656 -31.5656 -31.4783 -31.4783 -31.4697 -31.4697 -12.6573 -12.6573 -12.6351 -12.6351 -12.3937 -12.3937 -11.3144 -11.3144 -11.2507 -11.2507 -11.2425 -11.2425 -11.1151 -11.1151 -10.8911 -10.8911 -10.8542 -10.8542 -3.3328 -3.3328 -3.3309 -3.3309 -2.4835 -2.4835 -2.4794 -2.4794 -2.4769 -2.4769 1.0325 1.0325 4.8986 4.8986 9.0781 9.0781 9.9348 9.9348 9.9864 9.9864 10.0426 10.0426 10.4153 10.4153 10.4732 10.4732 10.4899 10.4899 10.6805 10.6805 11.9379 11.9379 12.7644 12.7644 12.8923 12.8923 k = 0.0000 0.2121-0.0000 ( 3543 PWs) bands (ev): -31.5644 -31.5644 -31.4796 -31.4796 -31.4697 -31.4697 -12.6570 -12.6570 -12.6314 -12.6314 -12.3970 -12.3970 -11.3127 -11.3127 -11.2481 -11.2481 -11.2400 -11.2400 -11.1166 -11.1166 -10.8992 -10.8992 -10.8565 -10.8565 -3.3326 -3.3326 -3.3304 -3.3304 -2.4832 -2.4832 -2.4790 -2.4790 -2.4763 -2.4763 1.0626 1.0626 4.9307 4.9307 8.9819 8.9819 9.9111 9.9111 9.9253 9.9253 9.9908 9.9908 10.3929 10.3929 10.4723 10.4723 10.5235 10.5235 10.6966 10.6966 11.9417 11.9417 12.8172 12.8172 12.9386 12.9386 k = 0.0000 0.2273-0.0000 ( 3531 PWs) bands (ev): -31.5630 -31.5630 -31.4809 -31.4809 -31.4697 -31.4697 -12.6566 -12.6566 -12.6274 -12.6274 -12.4006 -12.4006 -11.3111 -11.3111 -11.2448 -11.2448 -11.2372 -11.2372 -11.1182 -11.1182 -10.9078 -10.9078 -10.8590 -10.8590 -3.3323 -3.3323 -3.3299 -3.3299 -2.4829 -2.4829 -2.4787 -2.4787 -2.4756 -2.4756 1.0938 1.0938 4.9644 4.9644 8.8869 8.8869 9.8351 9.8351 9.8879 9.8879 9.9618 9.9618 10.3700 10.3700 10.4553 10.4553 10.5752 10.5752 10.7134 10.7134 11.9539 11.9539 12.8726 12.8726 12.9878 12.9878 k = 0.0000 0.2424-0.0000 ( 3531 PWs) bands (ev): -31.5616 -31.5616 -31.4823 -31.4823 -31.4697 -31.4697 -12.6563 -12.6563 -12.6232 -12.6232 -12.4044 -12.4044 -11.3097 -11.3097 -11.2410 -11.2410 -11.2343 -11.2343 -11.1199 -11.1199 -10.9168 -10.9168 -10.8615 -10.8615 -3.3320 -3.3320 -3.3293 -3.3293 -2.4826 -2.4826 -2.4783 -2.4783 -2.4749 -2.4749 1.1259 1.1259 4.9993 4.9993 8.7939 8.7939 9.7355 9.7355 9.8652 9.8652 9.9379 9.9379 10.3469 10.3469 10.4374 10.4374 10.6297 10.6297 10.7308 10.7308 11.9737 11.9737 12.9301 12.9301 13.0393 13.0393 k = 0.0000 0.2576-0.0000 ( 3527 PWs) bands (ev): -31.5601 -31.5601 -31.4838 -31.4838 -31.4697 -31.4697 -12.6559 -12.6559 -12.6189 -12.6189 -12.4083 -12.4083 -11.3086 -11.3086 -11.2366 -11.2366 -11.2313 -11.2313 -11.1217 -11.1217 -10.9261 -10.9261 -10.8640 -10.8640 -3.3317 -3.3317 -3.3288 -3.3288 -2.4823 -2.4823 -2.4779 -2.4779 -2.4741 -2.4741 1.1586 1.1586 5.0354 5.0354 8.7033 8.7033 9.6316 9.6316 9.8434 9.8434 9.9158 9.9158 10.3237 10.3237 10.4192 10.4192 10.6866 10.6866 10.7487 10.7487 11.9999 11.9999 12.9893 12.9893 13.0930 13.0930 k = 0.0000 0.2727-0.0000 ( 3527 PWs) bands (ev): -31.5586 -31.5586 -31.4853 -31.4853 -31.4697 -31.4697 -12.6555 -12.6555 -12.6143 -12.6143 -12.4124 -12.4124 -11.3077 -11.3077 -11.2316 -11.2316 -11.2281 -11.2281 -11.1237 -11.1237 -10.9358 -10.9358 -10.8665 -10.8665 -3.3315 -3.3315 -3.3282 -3.3282 -2.4821 -2.4821 -2.4775 -2.4775 -2.4734 -2.4734 1.1917 1.1917 5.0722 5.0722 8.6158 8.6158 9.5254 9.5254 9.8224 9.8224 9.8950 9.8950 10.3008 10.3008 10.4007 10.4007 10.7458 10.7458 10.7670 10.7670 12.0317 12.0317 13.0498 13.0498 13.1483 13.1483 k = 0.0000 0.2879-0.0000 ( 3535 PWs) bands (ev): -31.5570 -31.5570 -31.4869 -31.4869 -31.4697 -31.4697 -12.6552 -12.6552 -12.6097 -12.6097 -12.4167 -12.4167 -11.3070 -11.3070 -11.2260 -11.2260 -11.2249 -11.2249 -11.1257 -11.1257 -10.9458 -10.9458 -10.8690 -10.8690 -3.3312 -3.3312 -3.3277 -3.3277 -2.4818 -2.4818 -2.4770 -2.4770 -2.4727 -2.4727 1.2247 1.2247 5.1095 5.1095 8.5320 8.5320 9.4185 9.4185 9.8025 9.8025 9.8752 9.8752 10.2784 10.2784 10.3824 10.3824 10.7855 10.7855 10.8067 10.8067 12.0682 12.0682 13.1111 13.1111 13.2048 13.2048 k = 0.0000 0.3030-0.0000 ( 3531 PWs) bands (ev): -31.5554 -31.5554 -31.4885 -31.4885 -31.4697 -31.4697 -12.6549 -12.6549 -12.6049 -12.6049 -12.4211 -12.4211 -11.3065 -11.3065 -11.2215 -11.2215 -11.2198 -11.2198 -11.1279 -11.1279 -10.9561 -10.9561 -10.8715 -10.8715 -3.3309 -3.3309 -3.3272 -3.3272 -2.4815 -2.4815 -2.4767 -2.4767 -2.4721 -2.4721 1.2576 1.2576 5.1471 5.1471 8.4525 8.4525 9.3122 9.3122 9.7836 9.7836 9.8567 9.8567 10.2567 10.2567 10.3644 10.3644 10.8040 10.8040 10.8691 10.8691 12.1085 12.1085 13.1728 13.1728 13.2615 13.2615 k = 0.0000 0.3182-0.0000 ( 3515 PWs) bands (ev): -31.5537 -31.5537 -31.4901 -31.4901 -31.4697 -31.4697 -12.6545 -12.6545 -12.6000 -12.6000 -12.4256 -12.4256 -11.3062 -11.3062 -11.2180 -11.2180 -11.2130 -11.2130 -11.1303 -11.1303 -10.9666 -10.9666 -10.8739 -10.8739 -3.3307 -3.3307 -3.3267 -3.3267 -2.4812 -2.4812 -2.4763 -2.4763 -2.4714 -2.4714 1.2898 1.2898 5.1844 5.1844 8.3779 8.3779 9.2075 9.2075 9.7659 9.7659 9.8393 9.8393 10.2359 10.2359 10.3469 10.3469 10.8225 10.8225 10.9325 10.9325 12.1520 12.1520 13.2344 13.2344 13.3044 13.3044 k = 0.0000 0.3333-0.0000 ( 3523 PWs) bands (ev): -31.5521 -31.5521 -31.4918 -31.4918 -31.4697 -31.4697 -12.6542 -12.6542 -12.5951 -12.5951 -12.4302 -12.4302 -11.3061 -11.3061 -11.2144 -11.2144 -11.2058 -11.2058 -11.1327 -11.1327 -10.9774 -10.9774 -10.8762 -10.8762 -3.3304 -3.3304 -3.3262 -3.3262 -2.4810 -2.4810 -2.4759 -2.4759 -2.4708 -2.4708 1.3211 1.3211 5.2212 5.2212 8.3086 8.3086 9.1055 9.1055 9.7494 9.7494 9.8231 9.8231 10.2161 10.2161 10.3301 10.3301 10.8406 10.8406 10.9963 10.9963 12.1980 12.1980 13.2738 13.2738 13.2956 13.2956 k = 0.0000 0.3485-0.0000 ( 3515 PWs) bands (ev): -31.5504 -31.5504 -31.4934 -31.4934 -31.4696 -31.4696 -12.6539 -12.6539 -12.5902 -12.5902 -12.4348 -12.4348 -11.3060 -11.3060 -11.2108 -11.2108 -11.1980 -11.1980 -11.1352 -11.1352 -10.9883 -10.9883 -10.8784 -10.8784 -3.3302 -3.3302 -3.3257 -3.3257 -2.4808 -2.4808 -2.4755 -2.4755 -2.4702 -2.4702 1.3512 1.3512 5.2570 5.2570 8.2453 8.2453 9.0070 9.0070 9.7342 9.7342 9.8081 9.8081 10.1976 10.1976 10.3141 10.3141 10.8582 10.8582 11.0600 11.0600 12.2456 12.2456 13.2361 13.2361 13.3556 13.3556 k = 0.0000 0.3636-0.0000 ( 3515 PWs) bands (ev): -31.5487 -31.5487 -31.4951 -31.4951 -31.4696 -31.4696 -12.6536 -12.6536 -12.5852 -12.5852 -12.4395 -12.4395 -11.3061 -11.3061 -11.2071 -11.2071 -11.1899 -11.1899 -11.1379 -11.1379 -10.9994 -10.9994 -10.8804 -10.8804 -3.3300 -3.3300 -3.3253 -3.3253 -2.4806 -2.4806 -2.4752 -2.4752 -2.4696 -2.4696 1.3797 1.3797 5.2913 5.2913 8.1882 8.1882 8.9130 8.9130 9.7204 9.7204 9.7945 9.7945 10.1804 10.1804 10.2993 10.2993 10.8750 10.8750 11.1228 11.1228 12.2941 12.2941 13.2002 13.2002 13.4140 13.4140 k = 0.0000 0.3788-0.0000 ( 3515 PWs) bands (ev): -31.5471 -31.5471 -31.4967 -31.4967 -31.4696 -31.4696 -12.6534 -12.6534 -12.5804 -12.5804 -12.4440 -12.4440 -11.3062 -11.3062 -11.2034 -11.2034 -11.1813 -11.1813 -11.1407 -11.1407 -11.0106 -11.0106 -10.8823 -10.8823 -3.3298 -3.3298 -3.3249 -3.3249 -2.4804 -2.4804 -2.4749 -2.4749 -2.4691 -2.4691 1.4063 1.4063 5.3237 5.3237 8.1379 8.1379 8.8243 8.8243 9.7079 9.7079 9.7823 9.7823 10.1646 10.1646 10.2856 10.2856 10.8909 10.8909 11.1838 11.1838 12.3427 12.3427 13.1667 13.1667 13.4700 13.4700 k = 0.0000 0.3939-0.0000 ( 3511 PWs) bands (ev): -31.5456 -31.5456 -31.4982 -31.4982 -31.4696 -31.4696 -12.6532 -12.6532 -12.5757 -12.5757 -12.4485 -12.4485 -11.3063 -11.3063 -11.1997 -11.1997 -11.1723 -11.1723 -11.1435 -11.1435 -11.0218 -11.0218 -10.8841 -10.8841 -3.3296 -3.3296 -3.3245 -3.3245 -2.4802 -2.4802 -2.4746 -2.4746 -2.4686 -2.4686 1.4307 1.4307 5.3538 5.3538 8.0945 8.0945 8.7420 8.7420 9.6967 9.6967 9.7714 9.7714 10.1505 10.1505 10.2733 10.2733 10.9056 10.9056 11.2421 11.2421 12.3904 12.3904 13.1361 13.1361 13.5230 13.5230 k = 0.0000 0.4091-0.0000 ( 3519 PWs) bands (ev): -31.5442 -31.5442 -31.4997 -31.4997 -31.4696 -31.4696 -12.6530 -12.6530 -12.5713 -12.5713 -12.4527 -12.4527 -11.3064 -11.3064 -11.1960 -11.1960 -11.1630 -11.1630 -11.1464 -11.1464 -11.0331 -11.0331 -10.8856 -10.8856 -3.3294 -3.3294 -3.3242 -3.3242 -2.4800 -2.4800 -2.4744 -2.4744 -2.4682 -2.4682 1.4525 1.4525 5.3810 5.3810 8.0581 8.0581 8.6669 8.6669 9.6871 9.6871 9.7619 9.7619 10.1380 10.1380 10.2623 10.2623 10.9190 10.9190 11.2966 11.2966 12.4360 12.4360 13.1089 13.1089 13.5721 13.5721 k = 0.0000 0.4242-0.0000 ( 3527 PWs) bands (ev): -31.5428 -31.5428 -31.5010 -31.5010 -31.4696 -31.4696 -12.6528 -12.6528 -12.5671 -12.5671 -12.4566 -12.4566 -11.3066 -11.3066 -11.1924 -11.1924 -11.1534 -11.1534 -11.1493 -11.1493 -11.0445 -11.0445 -10.8869 -10.8869 -3.3293 -3.3293 -3.3239 -3.3239 -2.4799 -2.4799 -2.4742 -2.4742 -2.4679 -2.4679 1.4715 1.4715 5.4049 5.4049 8.0287 8.0287 8.6001 8.6001 9.6788 9.6788 9.7539 9.7539 10.1274 10.1274 10.2529 10.2529 10.9307 10.9307 11.3459 11.3459 12.4785 12.4785 13.0852 13.0852 13.6163 13.6163 k = 0.0000 0.4394-0.0000 ( 3515 PWs) bands (ev): -31.5416 -31.5416 -31.5022 -31.5022 -31.4696 -31.4696 -12.6526 -12.6526 -12.5635 -12.5635 -12.4602 -12.4602 -11.3067 -11.3067 -11.1890 -11.1890 -11.1522 -11.1522 -11.1436 -11.1436 -11.0557 -11.0557 -10.8880 -10.8880 -3.3292 -3.3292 -3.3237 -3.3237 -2.4798 -2.4798 -2.4740 -2.4740 -2.4676 -2.4676 1.4875 1.4875 5.4252 5.4252 8.0059 8.0059 8.5430 8.5430 9.6721 9.6721 9.7473 9.7473 10.1186 10.1186 10.2451 10.2451 10.9406 10.9406 11.3889 11.3889 12.5163 12.5163 13.0655 13.0655 13.6547 13.6547 k = 0.0000 0.4545-0.0000 ( 3522 PWs) bands (ev): -31.5407 -31.5407 -31.5032 -31.5032 -31.4696 -31.4696 -12.6525 -12.6525 -12.5604 -12.5604 -12.4631 -12.4631 -11.3068 -11.3068 -11.1859 -11.1859 -11.1549 -11.1549 -11.1335 -11.1335 -11.0669 -11.0669 -10.8889 -10.8889 -3.3291 -3.3291 -3.3235 -3.3235 -2.4797 -2.4797 -2.4738 -2.4738 -2.4673 -2.4673 1.5001 1.5001 5.4413 5.4413 7.9893 7.9893 8.4966 8.4966 9.6668 9.6668 9.7421 9.7421 10.1116 10.1116 10.2390 10.2390 10.9485 10.9485 11.4241 11.4241 12.5479 12.5479 13.0499 13.0499 13.6862 13.6862 k = 0.0000 0.4697-0.0000 ( 3522 PWs) bands (ev): -31.5399 -31.5399 -31.5039 -31.5039 -31.4696 -31.4696 -12.6524 -12.6524 -12.5581 -12.5581 -12.4654 -12.4654 -11.3069 -11.3069 -11.1832 -11.1832 -11.1573 -11.1573 -11.1233 -11.1233 -11.0779 -11.0779 -10.8895 -10.8895 -3.3290 -3.3290 -3.3234 -3.3234 -2.4796 -2.4796 -2.4737 -2.4737 -2.4672 -2.4672 1.5093 1.5093 5.4530 5.4530 7.9782 7.9782 8.4622 8.4622 9.6630 9.6630 9.7385 9.7385 10.1066 10.1066 10.2346 10.2346 10.9542 10.9542 11.4503 11.4503 12.5719 12.5719 13.0386 13.0386 13.7097 13.7097 k = 0.0000 0.4848-0.0000 ( 3522 PWs) bands (ev): -31.5395 -31.5395 -31.5044 -31.5044 -31.4696 -31.4696 -12.6524 -12.6524 -12.5566 -12.5566 -12.4668 -12.4668 -11.3070 -11.3070 -11.1813 -11.1813 -11.1590 -11.1590 -11.1134 -11.1134 -11.0883 -11.0883 -10.8899 -10.8899 -3.3290 -3.3290 -3.3233 -3.3233 -2.4796 -2.4796 -2.4737 -2.4737 -2.4671 -2.4671 1.5148 1.5148 5.4602 5.4602 7.9719 7.9719 8.4410 8.4410 9.6608 9.6608 9.7363 9.7363 10.1036 10.1036 10.2319 10.2319 10.9577 10.9577 11.4665 11.4665 12.5869 12.5869 13.0317 13.0317 13.7242 13.7242 k = 0.0000 0.5000-0.0000 ( 3514 PWs) bands (ev): -31.5393 -31.5393 -31.5045 -31.5045 -31.4695 -31.4695 -12.6524 -12.6524 -12.5561 -12.5561 -12.4673 -12.4673 -11.3070 -11.3070 -11.1806 -11.1806 -11.1596 -11.1596 -11.1070 -11.1070 -11.0948 -11.0948 -10.8900 -10.8900 -3.3290 -3.3290 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5167 1.5167 5.4626 5.4626 7.9699 7.9699 8.4339 8.4339 9.6600 9.6600 9.7355 9.7355 10.1027 10.1027 10.2310 10.2310 10.9589 10.9589 11.4719 11.4719 12.5920 12.5920 13.0294 13.0294 13.7292 13.7292 k = 0.0000 0.5000-0.0000 ( 3514 PWs) bands (ev): -31.5393 -31.5393 -31.5045 -31.5045 -31.4695 -31.4695 -12.6524 -12.6524 -12.5561 -12.5561 -12.4673 -12.4673 -11.3070 -11.3070 -11.1806 -11.1806 -11.1596 -11.1596 -11.1070 -11.1070 -11.0948 -11.0948 -10.8900 -10.8900 -3.3290 -3.3290 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5167 1.5167 5.4626 5.4626 7.9699 7.9699 8.4339 8.4339 9.6600 9.6600 9.7355 9.7355 10.1027 10.1027 10.2310 10.2310 10.9589 10.9589 11.4719 11.4719 12.5920 12.5920 13.0294 13.0294 13.7292 13.7292 k = 0.0152 0.5000-0.0000 ( 3526 PWs) bands (ev): -31.5393 -31.5393 -31.5045 -31.5045 -31.4696 -31.4696 -12.6523 -12.6523 -12.5561 -12.5561 -12.4674 -12.4674 -11.3070 -11.3070 -11.1816 -11.1816 -11.1588 -11.1588 -11.1077 -11.1077 -11.0939 -11.0939 -10.8901 -10.8901 -3.3289 -3.3289 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5180 1.5180 5.4635 5.4635 7.9709 7.9709 8.4315 8.4315 9.6569 9.6569 9.7322 9.7322 10.1017 10.1017 10.2299 10.2299 10.9625 10.9625 11.4732 11.4732 12.5923 12.5923 13.0242 13.0242 13.7317 13.7317 k = 0.0303 0.5000-0.0000 ( 3526 PWs) bands (ev): -31.5392 -31.5392 -31.5045 -31.5045 -31.4697 -31.4697 -12.6521 -12.6521 -12.5563 -12.5563 -12.4678 -12.4678 -11.3070 -11.3070 -11.1843 -11.1843 -11.1569 -11.1569 -11.1092 -11.1092 -11.0915 -11.0915 -10.8902 -10.8902 -3.3289 -3.3289 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5220 1.5220 5.4662 5.4662 7.9739 7.9739 8.4242 8.4242 9.6476 9.6476 9.7225 9.7225 10.0988 10.0988 10.2267 10.2267 10.9731 10.9731 11.4770 11.4770 12.5932 12.5932 13.0093 13.0093 13.7366 13.7366 k = 0.0455 0.5000-0.0000 ( 3526 PWs) bands (ev): -31.5390 -31.5390 -31.5045 -31.5045 -31.4699 -31.4699 -12.6517 -12.6517 -12.5566 -12.5566 -12.4684 -12.4684 -11.3069 -11.3069 -11.1880 -11.1880 -11.1544 -11.1544 -11.1109 -11.1109 -11.0883 -11.0883 -10.8903 -10.8903 -3.3289 -3.3289 -3.3233 -3.3233 -2.4795 -2.4795 -2.4736 -2.4736 -2.4670 -2.4670 1.5285 1.5285 5.4706 5.4706 7.9787 7.9787 8.4122 8.4122 9.6318 9.6318 9.7071 9.7071 10.0938 10.0938 10.2213 10.2213 10.9906 10.9906 11.4835 11.4835 12.5946 12.5946 12.9861 12.9861 13.7400 13.7400 k = 0.0606 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5387 -31.5387 -31.5045 -31.5045 -31.4702 -31.4702 -12.6511 -12.6511 -12.5571 -12.5571 -12.4693 -12.4693 -11.3069 -11.3069 -11.1922 -11.1922 -11.1521 -11.1521 -11.1122 -11.1122 -11.0848 -11.0848 -10.8905 -10.8905 -3.3288 -3.3288 -3.3233 -3.3233 -2.4795 -2.4795 -2.4736 -2.4736 -2.4670 -2.4670 1.5377 1.5377 5.4768 5.4768 7.9853 7.9853 8.3957 8.3957 9.6093 9.6093 9.6873 9.6873 10.0866 10.0866 10.2140 10.2140 11.0145 11.0145 11.4926 11.4926 12.5963 12.5963 12.9567 12.9567 13.7421 13.7421 k = 0.0758 0.5000-0.0000 ( 3522 PWs) bands (ev): -31.5383 -31.5383 -31.5045 -31.5045 -31.4706 -31.4706 -12.6504 -12.6504 -12.5576 -12.5576 -12.4704 -12.4704 -11.3068 -11.3068 -11.1967 -11.1967 -11.1501 -11.1501 -11.1129 -11.1129 -11.0811 -11.0811 -10.8908 -10.8908 -3.3287 -3.3287 -3.3233 -3.3233 -2.4794 -2.4794 -2.4735 -2.4735 -2.4669 -2.4669 1.5494 1.5494 5.4847 5.4847 7.9933 7.9933 8.3749 8.3749 9.5799 9.5799 9.6643 9.6643 10.0770 10.0770 10.2049 10.2049 11.0443 11.0443 11.5045 11.5045 12.5983 12.5983 12.9228 12.9228 13.7457 13.7457 k = 0.0909 0.5000-0.0000 ( 3522 PWs) bands (ev): -31.5379 -31.5379 -31.5045 -31.5045 -31.4710 -31.4710 -12.6496 -12.6496 -12.5582 -12.5582 -12.4718 -12.4718 -11.3066 -11.3066 -11.2015 -11.2015 -11.1488 -11.1488 -11.1129 -11.1129 -11.0773 -11.0773 -10.8911 -10.8911 -3.3286 -3.3286 -3.3234 -3.3234 -2.4793 -2.4793 -2.4735 -2.4735 -2.4669 -2.4669 1.5635 1.5635 5.4944 5.4944 8.0025 8.0025 8.3500 8.3500 9.5438 9.5438 9.6392 9.6392 10.0648 10.0648 10.1943 10.1943 11.0794 11.0794 11.5193 11.5193 12.6003 12.6003 12.8863 12.8863 13.7530 13.7530 k = 0.1061 0.5000-0.0000 ( 3516 PWs) bands (ev): -31.5374 -31.5374 -31.5045 -31.5045 -31.4715 -31.4715 -12.6486 -12.6486 -12.5590 -12.5590 -12.4734 -12.4734 -11.3065 -11.3065 -11.2063 -11.2063 -11.1483 -11.1483 -11.1120 -11.1120 -11.0734 -11.0734 -10.8914 -10.8914 -3.3284 -3.3284 -3.3234 -3.3234 -2.4793 -2.4793 -2.4734 -2.4734 -2.4668 -2.4668 1.5801 1.5801 5.5057 5.5057 8.0125 8.0125 8.3214 8.3214 9.5019 9.5019 9.6130 9.6130 10.0496 10.0496 10.1825 10.1825 11.1192 11.1192 11.5370 11.5370 12.6020 12.6020 12.8483 12.8483 13.7546 13.7546 k = 0.1212 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5368 -31.5368 -31.5045 -31.5045 -31.4721 -31.4721 -12.6474 -12.6474 -12.5598 -12.5598 -12.4753 -12.4753 -11.3062 -11.3062 -11.2112 -11.2112 -11.1484 -11.1484 -11.1104 -11.1104 -11.0696 -11.0696 -10.8916 -10.8916 -3.3283 -3.3283 -3.3234 -3.3234 -2.4792 -2.4792 -2.4733 -2.4733 -2.4667 -2.4667 1.5989 1.5989 5.5187 5.5187 8.0228 8.0228 8.2895 8.2895 9.4553 9.4553 9.5859 9.5859 10.0314 10.0314 10.1700 10.1700 11.1632 11.1632 11.5578 11.5578 12.6032 12.6032 12.8099 12.8099 13.7084 13.7084 k = 0.1364 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5361 -31.5361 -31.5045 -31.5045 -31.4727 -31.4727 -12.6461 -12.6461 -12.5608 -12.5608 -12.4774 -12.4774 -11.3060 -11.3060 -11.2161 -11.2161 -11.1490 -11.1490 -11.1082 -11.1082 -11.0659 -11.0659 -10.8919 -10.8919 -3.3281 -3.3281 -3.3235 -3.3235 -2.4791 -2.4791 -2.4732 -2.4732 -2.4667 -2.4667 1.6199 1.6199 5.5332 5.5332 8.0326 8.0326 8.2545 8.2545 9.4056 9.4056 9.5582 9.5582 10.0100 10.0100 10.1569 10.1569 11.2108 11.2108 11.5816 11.5816 12.6036 12.6036 12.7718 12.7718 13.6580 13.6580 k = 0.1515 0.5000-0.0000 ( 3514 PWs) bands (ev): -31.5354 -31.5354 -31.5044 -31.5044 -31.4734 -31.4734 -12.6446 -12.6446 -12.5618 -12.5618 -12.4796 -12.4796 -11.3056 -11.3056 -11.2209 -11.2209 -11.1500 -11.1500 -11.1057 -11.1057 -11.0622 -11.0622 -10.8922 -10.8922 -3.3279 -3.3279 -3.3235 -3.3235 -2.4791 -2.4791 -2.4731 -2.4731 -2.4666 -2.4666 1.6430 1.6430 5.5493 5.5493 8.0413 8.0413 8.2169 8.2169 9.3544 9.3544 9.5303 9.5303 9.9854 9.9854 10.1436 10.1436 11.2615 11.2615 11.6084 11.6084 12.6030 12.6030 12.7346 12.7346 13.6061 13.6061 k = 0.1667 0.5000-0.0000 ( 3512 PWs) bands (ev): -31.5346 -31.5346 -31.5044 -31.5044 -31.4742 -31.4742 -12.6430 -12.6430 -12.5629 -12.5629 -12.4821 -12.4821 -11.3052 -11.3052 -11.2257 -11.2257 -11.1513 -11.1513 -11.1029 -11.1029 -11.0587 -11.0587 -10.8923 -10.8923 -3.3277 -3.3277 -3.3236 -3.3236 -2.4791 -2.4791 -2.4729 -2.4729 -2.4665 -2.4665 1.6680 1.6680 5.5669 5.5669 8.0478 8.0478 8.1770 8.1770 9.3036 9.3036 9.5023 9.5023 9.9579 9.9579 10.1302 10.1302 11.3149 11.3149 11.6381 11.6381 12.6008 12.6008 12.6991 12.6991 13.5537 13.5537 k = 0.1818 0.5000-0.0000 ( 3520 PWs) bands (ev): -31.5337 -31.5337 -31.5044 -31.5044 -31.4751 -31.4751 -12.6413 -12.6413 -12.5640 -12.5640 -12.4848 -12.4848 -11.3047 -11.3047 -11.2305 -11.2305 -11.1527 -11.1527 -11.1001 -11.1001 -11.0552 -11.0552 -10.8924 -10.8924 -3.3275 -3.3275 -3.3236 -3.3236 -2.4791 -2.4791 -2.4727 -2.4727 -2.4663 -2.4663 1.6948 1.6948 5.5859 5.5859 8.0509 8.0509 8.1352 8.1352 9.2549 9.2549 9.4743 9.4743 9.9278 9.9278 10.1169 10.1169 11.3704 11.3704 11.6707 11.6707 12.5963 12.5963 12.6658 12.6658 13.5017 13.5017 k = 0.1970 0.5000-0.0000 ( 3532 PWs) bands (ev): -31.5328 -31.5328 -31.5044 -31.5044 -31.4760 -31.4760 -12.6394 -12.6394 -12.5652 -12.5652 -12.4877 -12.4877 -11.3041 -11.3041 -11.2351 -11.2351 -11.1542 -11.1542 -11.0973 -11.0973 -11.0520 -11.0520 -10.8925 -10.8925 -3.3273 -3.3273 -3.3237 -3.3237 -2.4791 -2.4791 -2.4725 -2.4725 -2.4662 -2.4662 1.7231 1.7231 5.6063 5.6063 8.0494 8.0494 8.0920 8.0920 9.2103 9.2103 9.4467 9.4467 9.8956 9.8956 10.1037 10.1037 11.4277 11.4277 11.7060 11.7060 12.5883 12.5883 12.6363 12.6363 13.4507 13.4507 k = 0.2121 0.5000-0.0000 ( 3528 PWs) bands (ev): -31.5318 -31.5318 -31.5044 -31.5044 -31.4770 -31.4770 -12.6374 -12.6374 -12.5664 -12.5664 -12.4908 -12.4908 -11.3034 -11.3034 -11.2396 -11.2396 -11.1557 -11.1557 -11.0947 -11.0947 -11.0489 -11.0489 -10.8924 -10.8924 -3.3271 -3.3271 -3.3237 -3.3237 -2.4792 -2.4792 -2.4723 -2.4723 -2.4661 -2.4661 1.7529 1.7529 5.6278 5.6278 8.0388 8.0388 8.0508 8.0508 9.1717 9.1717 9.4197 9.4197 9.8616 9.8616 10.0905 10.0905 11.4864 11.4864 11.7438 11.7438 12.5741 12.5741 12.6132 12.6132 13.4011 13.4011 k = 0.2273 0.5000-0.0000 ( 3536 PWs) bands (ev): -31.5307 -31.5307 -31.5044 -31.5044 -31.4781 -31.4781 -12.6352 -12.6352 -12.5676 -12.5676 -12.4940 -12.4940 -11.3026 -11.3026 -11.2439 -11.2439 -11.1572 -11.1572 -11.0922 -11.0922 -11.0459 -11.0459 -10.8922 -10.8922 -3.3269 -3.3269 -3.3238 -3.3238 -2.4792 -2.4792 -2.4720 -2.4720 -2.4659 -2.4659 1.7838 1.7838 5.6505 5.6505 7.9994 7.9994 8.0309 8.0309 9.1405 9.1405 9.3933 9.3933 9.8264 9.8264 10.0775 10.0775 11.5461 11.5461 11.7841 11.7841 12.5528 12.5528 12.5973 12.5973 13.3530 13.3530 k = 0.2424 0.5000-0.0000 ( 3530 PWs) bands (ev): -31.5296 -31.5296 -31.5044 -31.5044 -31.4791 -31.4791 -12.6330 -12.6330 -12.5689 -12.5689 -12.4974 -12.4974 -11.3017 -11.3017 -11.2482 -11.2482 -11.1586 -11.1586 -11.0899 -11.0899 -11.0430 -11.0430 -10.8919 -10.8919 -3.3266 -3.3266 -3.3238 -3.3238 -2.4793 -2.4793 -2.4718 -2.4718 -2.4657 -2.4657 1.8157 1.8157 5.6743 5.6743 7.9535 7.9535 8.0095 8.0095 9.1181 9.1181 9.3677 9.3677 9.7905 9.7905 10.0646 10.0646 11.6065 11.6065 11.8265 11.8265 12.5284 12.5284 12.5848 12.5848 13.3066 13.3066 k = 0.2576 0.5000-0.0000 ( 3530 PWs) bands (ev): -31.5284 -31.5284 -31.5044 -31.5044 -31.4803 -31.4803 -12.6306 -12.6306 -12.5701 -12.5701 -12.5009 -12.5009 -11.3008 -11.3008 -11.2522 -11.2522 -11.1601 -11.1601 -11.0879 -11.0879 -11.0403 -11.0403 -10.8915 -10.8915 -3.3264 -3.3264 -3.3239 -3.3239 -2.4794 -2.4794 -2.4715 -2.4715 -2.4655 -2.4655 1.8483 1.8483 5.6988 5.6988 7.9069 7.9069 7.9810 7.9810 9.1050 9.1050 9.3431 9.3431 9.7544 9.7544 10.0519 10.0519 11.6671 11.6671 11.8709 11.8709 12.5041 12.5041 12.5728 12.5728 13.2616 13.2616 k = 0.2727 0.5000-0.0000 ( 3528 PWs) bands (ev): -31.5272 -31.5272 -31.5043 -31.5043 -31.4815 -31.4815 -12.6280 -12.6280 -12.5714 -12.5714 -12.5045 -12.5045 -11.2998 -11.2998 -11.2561 -11.2561 -11.1614 -11.1614 -11.0862 -11.0862 -11.0378 -11.0378 -10.8910 -10.8910 -3.3262 -3.3262 -3.3239 -3.3239 -2.4795 -2.4795 -2.4713 -2.4713 -2.4653 -2.4653 1.8813 1.8813 5.7242 5.7242 7.8602 7.8602 7.9454 7.9454 9.1011 9.1011 9.3197 9.3197 9.7184 9.7184 10.0394 10.0394 11.7277 11.7277 11.9169 11.9169 12.4809 12.4809 12.5603 12.5603 13.2175 13.2175 k = 0.2879 0.5000-0.0000 ( 3524 PWs) bands (ev): -31.5259 -31.5259 -31.5043 -31.5043 -31.4828 -31.4828 -12.6254 -12.6254 -12.5726 -12.5726 -12.5083 -12.5083 -11.2987 -11.2987 -11.2597 -11.2597 -11.1627 -11.1627 -11.0848 -11.0848 -11.0353 -11.0353 -10.8904 -10.8904 -3.3260 -3.3260 -3.3240 -3.3240 -2.4796 -2.4796 -2.4710 -2.4710 -2.4651 -2.4651 1.9145 1.9145 5.7500 5.7500 7.8138 7.8138 7.9039 7.9039 9.1058 9.1058 9.2974 9.2974 9.6830 9.6830 10.0273 10.0273 11.7878 11.7878 11.9643 11.9643 12.4592 12.4592 12.5472 12.5472 13.1738 13.1738 k = 0.3030 0.5000-0.0000 ( 3522 PWs) bands (ev): -31.5245 -31.5245 -31.5043 -31.5043 -31.4841 -31.4841 -12.6227 -12.6227 -12.5737 -12.5737 -12.5121 -12.5121 -11.2975 -11.2975 -11.2632 -11.2632 -11.1640 -11.1640 -11.0838 -11.0838 -11.0330 -11.0330 -10.8897 -10.8897 -3.3257 -3.3257 -3.3240 -3.3240 -2.4797 -2.4797 -2.4708 -2.4708 -2.4649 -2.4649 1.9475 1.9475 5.7763 5.7763 7.7680 7.7680 7.8576 7.8576 9.1180 9.1180 9.2764 9.2764 9.6487 9.6487 10.0156 10.0156 11.8470 11.8470 12.0128 12.0128 12.4391 12.4391 12.5336 12.5336 13.1299 13.1299 k = 0.3182 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5232 -31.5232 -31.5043 -31.5043 -31.4855 -31.4855 -12.6198 -12.6198 -12.5748 -12.5748 -12.5160 -12.5160 -11.2963 -11.2963 -11.2664 -11.2664 -11.1652 -11.1652 -11.0830 -11.0830 -11.0307 -11.0307 -10.8890 -10.8890 -3.3255 -3.3255 -3.3241 -3.3241 -2.4799 -2.4799 -2.4706 -2.4706 -2.4646 -2.4646 1.9800 1.9800 5.8026 5.8026 7.7231 7.7231 7.8081 7.8081 9.1363 9.1363 9.2567 9.2567 9.6156 9.6156 10.0043 10.0043 11.9050 11.9050 12.0619 12.0619 12.4208 12.4208 12.5201 12.5201 13.0852 13.0852 k = 0.3333 0.5000-0.0000 ( 3522 PWs) bands (ev): -31.5218 -31.5218 -31.5043 -31.5043 -31.4869 -31.4869 -12.6169 -12.6169 -12.5758 -12.5758 -12.5200 -12.5200 -11.2951 -11.2951 -11.2694 -11.2694 -11.1663 -11.1663 -11.0824 -11.0824 -11.0286 -11.0286 -10.8882 -10.8882 -3.3253 -3.3253 -3.3241 -3.3241 -2.4800 -2.4800 -2.4704 -2.4704 -2.4644 -2.4644 2.0117 2.0117 5.8288 5.8288 7.6796 7.6796 7.7569 7.7569 9.1592 9.1592 9.2387 9.2387 9.5843 9.5843 9.9937 9.9937 11.9613 11.9613 12.1112 12.1112 12.4042 12.4042 12.5070 12.5070 13.0391 13.0391 k = 0.3485 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5203 -31.5203 -31.5043 -31.5043 -31.4883 -31.4883 -12.6140 -12.6140 -12.5768 -12.5768 -12.5240 -12.5240 -11.2939 -11.2939 -11.2722 -11.2722 -11.1673 -11.1673 -11.0821 -11.0821 -11.0267 -11.0267 -10.8874 -10.8874 -3.3252 -3.3252 -3.3241 -3.3241 -2.4801 -2.4801 -2.4702 -2.4702 -2.4642 -2.4642 2.0422 2.0422 5.8547 5.8547 7.6377 7.6377 7.7055 7.7055 9.1846 9.1846 9.2231 9.2231 9.5549 9.5549 9.9836 9.9836 12.0154 12.0154 12.1603 12.1603 12.3892 12.3892 12.4947 12.4947 12.9915 12.9915 k = 0.3636 0.5000-0.0000 ( 3522 PWs) bands (ev): -31.5188 -31.5188 -31.5043 -31.5043 -31.4898 -31.4898 -12.6110 -12.6110 -12.5776 -12.5776 -12.5280 -12.5280 -11.2927 -11.2927 -11.2747 -11.2747 -11.1683 -11.1683 -11.0820 -11.0820 -11.0248 -11.0248 -10.8866 -10.8866 -3.3250 -3.3250 -3.3242 -3.3242 -2.4802 -2.4802 -2.4700 -2.4700 -2.4639 -2.4639 2.0712 2.0712 5.8798 5.8798 7.5978 7.5978 7.6551 7.6551 9.1998 9.1998 9.2211 9.2211 9.5278 9.5278 9.9743 9.9743 12.0668 12.0668 12.2084 12.2084 12.3759 12.3759 12.4839 12.4839 12.9425 12.9425 k = 0.3788 0.5000-0.0000 ( 3514 PWs) bands (ev): -31.5172 -31.5172 -31.5042 -31.5042 -31.4913 -31.4913 -12.6080 -12.6080 -12.5783 -12.5783 -12.5320 -12.5320 -11.2915 -11.2915 -11.2770 -11.2770 -11.1692 -11.1692 -11.0821 -11.0821 -11.0231 -11.0231 -10.8858 -10.8858 -3.3249 -3.3249 -3.3242 -3.3242 -2.4803 -2.4803 -2.4699 -2.4699 -2.4637 -2.4637 2.0984 2.0984 5.9038 5.9038 7.5604 7.5604 7.6071 7.6071 9.1898 9.1898 9.2465 9.2465 9.5033 9.5033 9.9658 9.9658 12.1149 12.1149 12.2550 12.2550 12.3642 12.3642 12.4749 12.4749 12.8924 12.8924 k = 0.3939 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5157 -31.5157 -31.5042 -31.5042 -31.4929 -31.4929 -12.6051 -12.6051 -12.5788 -12.5788 -12.5359 -12.5359 -11.2904 -11.2904 -11.2790 -11.2790 -11.1700 -11.1700 -11.0823 -11.0823 -11.0216 -11.0216 -10.8850 -10.8850 -3.3248 -3.3248 -3.3242 -3.3242 -2.4804 -2.4804 -2.4698 -2.4698 -2.4635 -2.4635 2.1233 2.1233 5.9264 5.9264 7.5259 7.5259 7.5624 7.5624 9.1781 9.1781 9.2746 9.2746 9.4816 9.4816 9.9581 9.9581 12.1593 12.1593 12.2990 12.2990 12.3542 12.3542 12.4683 12.4683 12.8422 12.8422 k = 0.4091 0.5000-0.0000 ( 3518 PWs) bands (ev): -31.5141 -31.5141 -31.5042 -31.5042 -31.4945 -31.4945 -12.6023 -12.6023 -12.5791 -12.5791 -12.5398 -12.5398 -11.2894 -11.2894 -11.2808 -11.2808 -11.1707 -11.1707 -11.0826 -11.0826 -11.0202 -11.0202 -10.8844 -10.8844 -3.3247 -3.3247 -3.3241 -3.3241 -2.4805 -2.4805 -2.4697 -2.4697 -2.4633 -2.4633 2.1457 2.1457 5.9472 5.9472 7.4947 7.4947 7.5219 7.5219 9.1675 9.1675 9.3011 9.3011 9.4631 9.4631 9.9514 9.9514 12.1992 12.1992 12.3368 12.3368 12.3484 12.3484 12.4648 12.4648 12.7929 12.7929 k = 0.4242 0.5000-0.0000 ( 3522 PWs) bands (ev): -31.5125 -31.5125 -31.5042 -31.5042 -31.4961 -31.4961 -12.5997 -12.5997 -12.5791 -12.5791 -12.5435 -12.5435 -11.2885 -11.2885 -11.2823 -11.2823 -11.1713 -11.1713 -11.0828 -11.0828 -11.0190 -11.0190 -10.8837 -10.8837 -3.3247 -3.3247 -3.3241 -3.3241 -2.4806 -2.4806 -2.4696 -2.4696 -2.4631 -2.4631 2.1653 2.1653 5.9657 5.9657 7.4672 7.4672 7.4864 7.4864 9.1585 9.1585 9.3246 9.3246 9.4482 9.4482 9.9456 9.9456 12.2340 12.2340 12.3371 12.3371 12.3769 12.3769 12.4650 12.4650 12.7458 12.7458 k = 0.4394 0.5000-0.0000 ( 3516 PWs) bands (ev): -31.5109 -31.5109 -31.5042 -31.5042 -31.4977 -31.4977 -12.5974 -12.5974 -12.5789 -12.5789 -12.5470 -12.5470 -11.2877 -11.2877 -11.2835 -11.2835 -11.1718 -11.1718 -11.0831 -11.0831 -11.0181 -11.0181 -10.8832 -10.8832 -3.3246 -3.3246 -3.3240 -3.3240 -2.4807 -2.4807 -2.4695 -2.4695 -2.4630 -2.4630 2.1817 2.1817 5.9816 5.9816 7.4439 7.4439 7.4566 7.4566 9.1511 9.1511 9.3435 9.3435 9.4377 9.4377 9.9409 9.9409 12.2630 12.2630 12.3320 12.3320 12.4061 12.4061 12.4697 12.4697 12.7023 12.7023 k = 0.4545 0.5000-0.0000 ( 3528 PWs) bands (ev): -31.5093 -31.5093 -31.5042 -31.5042 -31.4993 -31.4993 -12.5956 -12.5956 -12.5783 -12.5783 -12.5501 -12.5501 -11.2871 -11.2871 -11.2845 -11.2845 -11.1722 -11.1722 -11.0834 -11.0834 -11.0173 -11.0173 -10.8828 -10.8828 -3.3246 -3.3246 -3.3240 -3.3240 -2.4807 -2.4807 -2.4694 -2.4694 -2.4629 -2.4629 2.1948 2.1948 5.9944 5.9944 7.4251 7.4251 7.4331 7.4331 9.1452 9.1452 9.3567 9.3567 9.4318 9.4318 9.9372 9.9372 12.2853 12.2853 12.3286 12.3286 12.4277 12.4277 12.4791 12.4791 12.6639 12.6639 k = 0.4697 0.5000-0.0000 ( 3532 PWs) bands (ev): -31.5076 -31.5076 -31.5042 -31.5042 -31.5010 -31.5010 -12.5943 -12.5943 -12.5776 -12.5776 -12.5527 -12.5527 -11.2867 -11.2867 -11.2851 -11.2851 -11.1725 -11.1725 -11.0836 -11.0836 -11.0167 -11.0167 -10.8825 -10.8825 -3.3246 -3.3246 -3.3240 -3.3240 -2.4808 -2.4808 -2.4694 -2.4694 -2.4628 -2.4628 2.2042 2.2042 6.0039 6.0039 7.4110 7.4110 7.4163 7.4163 9.1411 9.1411 9.3639 9.3639 9.4302 9.4302 9.9345 9.9345 12.2999 12.2999 12.3280 12.3280 12.4420 12.4420 12.4908 12.4908 12.6325 12.6325 k = 0.4848 0.5000-0.0000 ( 3532 PWs) bands (ev): -31.5059 -31.5059 -31.5042 -31.5042 -31.5026 -31.5026 -12.5935 -12.5935 -12.5770 -12.5770 -12.5545 -12.5545 -11.2864 -11.2864 -11.2855 -11.2855 -11.1727 -11.1727 -11.0838 -11.0838 -11.0164 -11.0164 -10.8823 -10.8823 -3.3246 -3.3246 -3.3239 -3.3239 -2.4808 -2.4808 -2.4694 -2.4694 -2.4628 -2.4628 2.2100 2.2100 6.0096 6.0096 7.4019 7.4019 7.4066 7.4066 9.1386 9.1386 9.3669 9.3669 9.4308 9.4308 9.9329 9.9329 12.3065 12.3065 12.3298 12.3298 12.4506 12.4506 12.5007 12.5007 12.6109 12.6109 k = 0.5000 0.5000-0.0000 ( 3532 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5933 -12.5933 -12.5767 -12.5767 -12.5551 -12.5551 -11.2864 -11.2864 -11.2856 -11.2856 -11.1727 -11.1727 -11.0838 -11.0838 -11.0163 -11.0163 -10.8822 -10.8822 -3.3246 -3.3246 -3.3239 -3.3239 -2.4808 -2.4808 -2.4694 -2.4694 -2.4627 -2.4627 2.2119 2.2119 6.0116 6.0116 7.3988 7.3988 7.4035 7.4035 9.1377 9.1377 9.3676 9.3676 9.4313 9.4313 9.9324 9.9324 12.3081 12.3081 12.3311 12.3311 12.4537 12.4537 12.5046 12.5046 12.6029 12.6029 k = 0.5000 0.5000-0.0000 ( 3532 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5933 -12.5933 -12.5767 -12.5767 -12.5551 -12.5551 -11.2864 -11.2864 -11.2856 -11.2856 -11.1727 -11.1727 -11.0838 -11.0838 -11.0163 -11.0163 -10.8822 -10.8822 -3.3246 -3.3246 -3.3239 -3.3239 -2.4808 -2.4808 -2.4694 -2.4694 -2.4627 -2.4627 2.2119 2.2119 6.0116 6.0116 7.3988 7.3988 7.4035 7.4035 9.1377 9.1377 9.3676 9.3676 9.4313 9.4313 9.9324 9.9324 12.3081 12.3081 12.3311 12.3311 12.4537 12.4537 12.5046 12.5046 12.6029 12.6029 k = 0.4891 0.4891-0.0000 ( 3532 PWs) bands (ev): -31.5060 -31.5060 -31.5042 -31.5042 -31.5026 -31.5026 -12.5935 -12.5935 -12.5770 -12.5770 -12.5545 -12.5545 -11.2864 -11.2864 -11.2855 -11.2855 -11.1727 -11.1727 -11.0837 -11.0837 -11.0164 -11.0164 -10.8823 -10.8823 -3.3246 -3.3246 -3.3239 -3.3239 -2.4808 -2.4808 -2.4694 -2.4694 -2.4628 -2.4628 2.2099 2.2099 6.0096 6.0096 7.4019 7.4019 7.4069 7.4069 9.1386 9.1386 9.3669 9.3669 9.4308 9.4308 9.9329 9.9329 12.3065 12.3065 12.3297 12.3297 12.4502 12.4502 12.5010 12.5010 12.6111 12.6111 k = 0.4783 0.4783-0.0000 ( 3534 PWs) bands (ev): -31.5077 -31.5077 -31.5041 -31.5041 -31.5010 -31.5010 -12.5943 -12.5943 -12.5777 -12.5777 -12.5526 -12.5526 -11.2866 -11.2866 -11.2852 -11.2852 -11.1725 -11.1725 -11.0836 -11.0836 -11.0167 -11.0167 -10.8825 -10.8825 -3.3246 -3.3246 -3.3240 -3.3240 -2.4808 -2.4808 -2.4694 -2.4694 -2.4628 -2.4628 2.2040 2.2040 6.0036 6.0036 7.4098 7.4098 7.4183 7.4183 9.1412 9.1412 9.3645 9.3645 9.4295 9.4295 9.9346 9.9346 12.2997 12.2997 12.3278 12.3278 12.4376 12.4376 12.4950 12.4950 12.6330 12.6330 k = 0.4674 0.4674-0.0000 ( 3524 PWs) bands (ev): -31.5095 -31.5095 -31.5038 -31.5038 -31.4994 -31.4994 -12.5955 -12.5955 -12.5787 -12.5787 -12.5498 -12.5498 -11.2868 -11.2868 -11.2847 -11.2847 -11.1722 -11.1722 -11.0833 -11.0833 -11.0174 -11.0174 -10.8828 -10.8828 -3.3246 -3.3246 -3.3240 -3.3240 -2.4807 -2.4807 -2.4694 -2.4694 -2.4629 -2.4629 2.1942 2.1942 5.9938 5.9938 7.4217 7.4217 7.4385 7.4385 9.1455 9.1455 9.3593 9.3593 9.4289 9.4289 9.9373 9.9373 12.2850 12.2850 12.3282 12.3282 12.4130 12.4130 12.4930 12.4930 12.6653 12.6653 k = 0.4565 0.4565-0.0000 ( 3516 PWs) bands (ev): -31.5113 -31.5113 -31.5035 -31.5035 -31.4979 -31.4979 -12.5971 -12.5971 -12.5798 -12.5798 -12.5464 -12.5464 -11.2872 -11.2872 -11.2841 -11.2841 -11.1719 -11.1719 -11.0829 -11.0829 -11.0182 -11.0182 -10.8832 -10.8832 -3.3246 -3.3246 -3.3240 -3.3240 -2.4807 -2.4807 -2.4695 -2.4695 -2.4630 -2.4630 2.1805 2.1805 5.9804 5.9804 7.4379 7.4379 7.4665 7.4665 9.1515 9.1515 9.3504 9.3504 9.4305 9.4305 9.9412 9.9412 12.2625 12.2625 12.3311 12.3311 12.3782 12.3782 12.4952 12.4952 12.7065 12.7065 k = 0.4457 0.4457-0.0000 ( 3522 PWs) bands (ev): -31.5132 -31.5132 -31.5032 -31.5032 -31.4964 -31.4964 -12.5990 -12.5990 -12.5809 -12.5809 -12.5424 -12.5424 -11.2876 -11.2876 -11.2833 -11.2833 -11.1716 -11.1716 -11.0822 -11.0822 -11.0194 -11.0194 -10.8836 -10.8836 -3.3247 -3.3247 -3.3241 -3.3241 -2.4806 -2.4806 -2.4696 -2.4696 -2.4632 -2.4632 2.1632 2.1632 5.9636 5.9636 7.4586 7.4586 7.5020 7.5020 9.1591 9.1591 9.3377 9.3377 9.4349 9.4349 9.9462 9.9462 12.2333 12.2333 12.3335 12.3335 12.3378 12.3378 12.5003 12.5003 12.7555 12.7555 k = 0.4348 0.4348-0.0000 ( 3514 PWs) bands (ev): -31.5151 -31.5151 -31.5028 -31.5028 -31.4949 -31.4949 -12.6011 -12.6011 -12.5820 -12.5820 -12.5380 -12.5380 -11.2881 -11.2881 -11.2823 -11.2823 -11.1712 -11.1712 -11.0813 -11.0813 -11.0209 -11.0209 -10.8840 -10.8840 -3.3247 -3.3247 -3.3241 -3.3241 -2.4805 -2.4805 -2.4697 -2.4697 -2.4633 -2.4633 2.1423 2.1423 5.9436 5.9436 7.4837 7.4837 7.5445 7.5445 9.1685 9.1685 9.3217 9.3217 9.4423 9.4423 9.9523 9.9523 12.1984 12.1984 12.2862 12.2862 12.3423 12.3423 12.5074 12.5074 12.8117 12.8117 k = 0.4239 0.4239-0.0000 ( 3516 PWs) bands (ev): -31.5169 -31.5169 -31.5023 -31.5023 -31.4935 -31.4935 -12.6034 -12.6034 -12.5831 -12.5831 -12.5333 -12.5333 -11.2886 -11.2886 -11.2811 -11.2811 -11.1710 -11.1710 -11.0801 -11.0801 -11.0228 -11.0228 -10.8844 -10.8844 -3.3248 -3.3248 -3.3242 -3.3242 -2.4805 -2.4805 -2.4698 -2.4698 -2.4636 -2.4636 2.1181 2.1181 5.9207 5.9207 7.5131 7.5131 7.5934 7.5934 9.1794 9.1794 9.3037 9.3037 9.4525 9.4525 9.9595 9.9595 12.1584 12.1584 12.2322 12.2322 12.3497 12.3497 12.5161 12.5161 12.8738 12.8738 k = 0.4130 0.4130-0.0000 ( 3514 PWs) bands (ev): -31.5189 -31.5189 -31.5017 -31.5017 -31.4922 -31.4922 -12.6057 -12.6057 -12.5842 -12.5842 -12.5283 -12.5283 -11.2892 -11.2892 -11.2798 -11.2798 -11.1710 -11.1710 -11.0785 -11.0785 -11.0251 -11.0251 -10.8847 -10.8847 -3.3250 -3.3250 -3.3242 -3.3242 -2.4804 -2.4804 -2.4699 -2.4699 -2.4638 -2.4638 2.0907 2.0907 5.8952 5.8952 7.5469 7.5469 7.6483 7.6483 9.1919 9.1919 9.2848 9.2848 9.4650 9.4650 9.9679 9.9679 12.1141 12.1141 12.1741 12.1741 12.3584 12.3584 12.5261 12.5261 12.9404 12.9404 k = 0.4022 0.4022-0.0000 ( 3514 PWs) bands (ev): -31.5208 -31.5208 -31.5011 -31.5011 -31.4909 -31.4909 -12.6081 -12.6081 -12.5854 -12.5854 -12.5231 -12.5231 -11.2898 -11.2898 -11.2784 -11.2784 -11.1711 -11.1711 -11.0764 -11.0764 -11.0277 -11.0277 -10.8848 -10.8848 -3.3251 -3.3251 -3.3242 -3.3242 -2.4803 -2.4803 -2.4700 -2.4700 -2.4641 -2.4641 2.0603 2.0603 5.8673 5.8673 7.5848 7.5848 7.7087 7.7087 9.2057 9.2057 9.2660 9.2660 9.4798 9.4798 9.9773 9.9773 12.0660 12.0660 12.1129 12.1129 12.3681 12.3681 12.5373 12.5373 13.0099 13.0099 k = 0.3913 0.3913-0.0000 ( 3520 PWs) bands (ev): -31.5229 -31.5229 -31.5004 -31.5004 -31.4896 -31.4896 -12.6104 -12.6104 -12.5867 -12.5867 -12.5176 -12.5176 -11.2905 -11.2905 -11.2769 -11.2769 -11.1715 -11.1715 -11.0740 -11.0740 -11.0307 -11.0307 -10.8848 -10.8848 -3.3253 -3.3253 -3.3242 -3.3242 -2.4803 -2.4803 -2.4702 -2.4702 -2.4644 -2.4644 2.0271 2.0271 5.8371 5.8371 7.6267 7.6267 7.7742 7.7742 9.2199 9.2199 9.2494 9.2494 9.4968 9.4968 9.9879 9.9879 12.0148 12.0148 12.0493 12.0493 12.3789 12.3789 12.5495 12.5495 13.0801 13.0801 k = 0.3804 0.3804-0.0000 ( 3520 PWs) bands (ev): -31.5249 -31.5249 -31.4996 -31.4996 -31.4884 -31.4884 -12.6128 -12.6128 -12.5881 -12.5881 -12.5121 -12.5121 -11.2911 -11.2911 -11.2753 -11.2753 -11.1721 -11.1721 -11.0711 -11.0711 -11.0340 -11.0340 -10.8846 -10.8846 -3.3255 -3.3255 -3.3242 -3.3242 -2.4802 -2.4802 -2.4704 -2.4704 -2.4647 -2.4647 1.9915 1.9915 5.8049 5.8049 7.6726 7.6726 7.8444 7.8444 9.2244 9.2244 9.2456 9.2456 9.5157 9.5157 9.9995 9.9995 11.9608 11.9608 11.9840 11.9840 12.3906 12.3906 12.5624 12.5624 13.1485 13.1485 k = 0.3696 0.3696-0.0000 ( 3520 PWs) bands (ev): -31.5269 -31.5269 -31.4988 -31.4988 -31.4872 -31.4872 -12.6151 -12.6151 -12.5896 -12.5896 -12.5063 -12.5063 -11.2918 -11.2918 -11.2736 -11.2736 -11.1731 -11.1731 -11.0679 -11.0679 -11.0375 -11.0375 -10.8842 -10.8842 -3.3258 -3.3258 -3.3243 -3.3243 -2.4802 -2.4802 -2.4706 -2.4706 -2.4651 -2.4651 1.9536 1.9536 5.7707 5.7707 7.7223 7.7223 7.9189 7.9189 9.2132 9.2132 9.2613 9.2613 9.5366 9.5366 10.0122 10.0122 11.9043 11.9043 11.9179 11.9179 12.4033 12.4033 12.5759 12.5759 13.2118 13.2118 k = 0.3587 0.3587-0.0000 ( 3524 PWs) bands (ev): -31.5290 -31.5290 -31.4979 -31.4979 -31.4861 -31.4861 -12.6174 -12.6174 -12.5911 -12.5911 -12.5005 -12.5005 -11.2925 -11.2925 -11.2718 -11.2718 -11.1743 -11.1743 -11.0647 -11.0647 -11.0407 -11.0407 -10.8836 -10.8836 -3.3260 -3.3260 -3.3243 -3.3243 -2.4801 -2.4801 -2.4708 -2.4708 -2.4655 -2.4655 1.9136 1.9136 5.7347 5.7347 7.7756 7.7756 7.9972 7.9972 9.2023 9.2023 9.2811 9.2811 9.5594 9.5594 10.0259 10.0259 11.8442 11.8442 11.8531 11.8531 12.4168 12.4168 12.5897 12.5897 13.2659 13.2659 k = 0.3478 0.3478-0.0000 ( 3520 PWs) bands (ev): -31.5310 -31.5310 -31.4969 -31.4969 -31.4850 -31.4850 -12.6196 -12.6196 -12.5928 -12.5928 -12.4945 -12.4945 -11.2932 -11.2932 -11.2701 -11.2701 -11.1758 -11.1758 -11.0624 -11.0624 -11.0428 -11.0428 -10.8827 -10.8827 -3.3263 -3.3263 -3.3244 -3.3244 -2.4801 -2.4801 -2.4710 -2.4710 -2.4659 -2.4659 1.8720 1.8720 5.6971 5.6971 7.8323 7.8323 8.0792 8.0792 9.1943 9.1943 9.3028 9.3028 9.5842 9.5842 10.0406 10.0406 11.7788 11.7788 11.7920 11.7920 12.4311 12.4311 12.6036 12.6036 13.3057 13.3057 k = 0.3370 0.3370-0.0000 ( 3516 PWs) bands (ev): -31.5331 -31.5331 -31.4960 -31.4960 -31.4840 -31.4840 -12.6218 -12.6218 -12.5946 -12.5946 -12.4885 -12.4885 -11.2938 -11.2938 -11.2683 -11.2683 -11.1777 -11.1777 -11.0623 -11.0623 -11.0424 -11.0424 -10.8816 -10.8816 -3.3266 -3.3266 -3.3245 -3.3245 -2.4801 -2.4801 -2.4713 -2.4713 -2.4663 -2.4663 1.8288 1.8288 5.6580 5.6580 7.8924 7.8924 8.1645 8.1645 9.1899 9.1899 9.3260 9.3260 9.6107 9.6107 10.0563 10.0563 11.7114 11.7114 11.7320 11.7320 12.4461 12.4461 12.6172 12.6172 13.3260 13.3260 k = 0.3261 0.3261-0.0000 ( 3526 PWs) bands (ev): -31.5351 -31.5351 -31.4949 -31.4949 -31.4830 -31.4830 -12.6240 -12.6240 -12.5965 -12.5965 -12.4825 -12.4825 -11.2945 -11.2945 -11.2666 -11.2666 -11.1798 -11.1798 -11.0648 -11.0648 -11.0391 -11.0391 -10.8804 -10.8804 -3.3269 -3.3269 -3.3246 -3.3246 -2.4802 -2.4802 -2.4716 -2.4716 -2.4668 -2.4668 1.7843 1.7843 5.6175 5.6175 7.9555 7.9555 8.2526 8.2526 9.1893 9.1893 9.3506 9.3506 9.6391 9.6391 10.0728 10.0728 11.6438 11.6438 11.6720 11.6720 12.4616 12.4616 12.6304 12.6304 13.3230 13.3230 k = 0.3152 0.3152-0.0000 ( 3525 PWs) bands (ev): -31.5371 -31.5371 -31.4939 -31.4939 -31.4821 -31.4821 -12.6261 -12.6261 -12.5986 -12.5986 -12.4764 -12.4764 -11.2952 -11.2952 -11.2650 -11.2650 -11.1821 -11.1821 -11.0688 -11.0688 -11.0338 -11.0338 -10.8789 -10.8789 -3.3272 -3.3272 -3.3248 -3.3248 -2.4802 -2.4802 -2.4719 -2.4719 -2.4673 -2.4673 1.7389 1.7389 5.5758 5.5758 8.0215 8.0215 8.3435 8.3435 9.1929 9.1929 9.3766 9.3766 9.6692 9.6692 10.0902 10.0902 11.5766 11.5766 11.6120 11.6120 12.4776 12.4776 12.6427 12.6427 13.2960 13.2960 k = 0.3043 0.3043-0.0000 ( 3527 PWs) bands (ev): -31.5392 -31.5392 -31.4928 -31.4928 -31.4812 -31.4812 -12.6282 -12.6282 -12.6007 -12.6007 -12.4703 -12.4703 -11.2958 -11.2958 -11.2634 -11.2634 -11.1847 -11.1847 -11.0735 -11.0735 -11.0274 -11.0274 -10.8773 -10.8773 -3.3275 -3.3275 -3.3249 -3.3249 -2.4803 -2.4803 -2.4722 -2.4722 -2.4678 -2.4678 1.6927 1.6927 5.5332 5.5332 8.0902 8.0902 8.4366 8.4366 9.2008 9.2008 9.4039 9.4039 9.7011 9.7011 10.1084 10.1084 11.5100 11.5100 11.5523 11.5523 12.4939 12.4939 12.6538 12.6538 13.2482 13.2482 k = 0.2935 0.2935-0.0000 ( 3539 PWs) bands (ev): -31.5412 -31.5412 -31.4917 -31.4917 -31.4803 -31.4803 -12.6302 -12.6302 -12.6030 -12.6030 -12.4643 -12.4643 -11.2965 -11.2965 -11.2619 -11.2619 -11.1875 -11.1875 -11.0784 -11.0784 -11.0203 -11.0203 -10.8756 -10.8756 -3.3279 -3.3279 -3.3252 -3.3252 -2.4804 -2.4804 -2.4726 -2.4726 -2.4683 -2.4683 1.6459 1.6459 5.4896 5.4896 8.1613 8.1613 8.5318 8.5318 9.2131 9.2131 9.4324 9.4324 9.7346 9.7346 10.1273 10.1273 11.4443 11.4443 11.4929 11.4929 12.5103 12.5103 12.6636 12.6636 13.1843 13.1843 k = 0.2826 0.2826-0.0000 ( 3537 PWs) bands (ev): -31.5432 -31.5432 -31.4906 -31.4906 -31.4795 -31.4795 -12.6321 -12.6321 -12.6053 -12.6053 -12.4584 -12.4584 -11.2972 -11.2972 -11.2606 -11.2606 -11.1906 -11.1906 -11.0832 -11.0832 -11.0127 -11.0127 -10.8737 -10.8737 -3.3282 -3.3282 -3.3254 -3.3254 -2.4806 -2.4806 -2.4730 -2.4730 -2.4688 -2.4688 1.5988 1.5988 5.4455 5.4455 8.2347 8.2347 8.6286 8.6286 9.2298 9.2298 9.4622 9.4622 9.7697 9.7697 10.1468 10.1468 11.3797 11.3797 11.4342 11.4342 12.5265 12.5265 12.6716 12.6716 13.1097 13.1097 k = 0.2717 0.2717-0.0000 ( 3533 PWs) bands (ev): -31.5452 -31.5452 -31.4894 -31.4894 -31.4787 -31.4787 -12.6341 -12.6341 -12.6078 -12.6078 -12.4525 -12.4525 -11.2980 -11.2980 -11.2595 -11.2595 -11.1939 -11.1939 -11.0879 -11.0879 -11.0046 -11.0046 -10.8718 -10.8718 -3.3286 -3.3286 -3.3257 -3.3257 -2.4807 -2.4807 -2.4734 -2.4734 -2.4693 -2.4693 1.5516 1.5516 5.4009 5.4009 8.3100 8.3100 8.7268 8.7268 9.2510 9.2510 9.4930 9.4930 9.8063 9.8063 10.1669 10.1669 11.3163 11.3163 11.3764 11.3764 12.5422 12.5422 12.6778 12.6778 13.0285 13.0285 k = 0.2609 0.2609-0.0000 ( 3533 PWs) bands (ev): -31.5471 -31.5471 -31.4882 -31.4882 -31.4780 -31.4780 -12.6359 -12.6359 -12.6103 -12.6103 -12.4467 -12.4467 -11.2988 -11.2988 -11.2585 -11.2585 -11.1974 -11.1974 -11.0923 -11.0923 -10.9962 -10.9962 -10.8698 -10.8698 -3.3290 -3.3290 -3.3260 -3.3260 -2.4809 -2.4809 -2.4738 -2.4738 -2.4699 -2.4699 1.5046 1.5046 5.3560 5.3560 8.3871 8.3871 8.8256 8.8256 9.2767 9.2767 9.5248 9.5248 9.8442 9.8442 10.1875 10.1875 11.2543 11.2543 11.3196 11.3196 12.5569 12.5569 12.6819 12.6819 12.9442 12.9442 k = 0.2500 0.2500-0.0000 ( 3553 PWs) bands (ev): -31.5491 -31.5491 -31.4871 -31.4871 -31.4773 -31.4773 -12.6377 -12.6377 -12.6130 -12.6130 -12.4410 -12.4410 -11.2996 -11.2996 -11.2577 -11.2577 -11.2010 -11.2010 -11.0963 -11.0963 -10.9874 -10.9874 -10.8678 -10.8678 -3.3293 -3.3293 -3.3263 -3.3263 -2.4811 -2.4811 -2.4742 -2.4742 -2.4705 -2.4705 1.4578 1.4578 5.3112 5.3112 8.4657 8.4657 8.9246 8.9246 9.3071 9.3071 9.5576 9.5576 9.8833 9.8833 10.2085 10.2085 11.1937 11.1937 11.2641 11.2641 12.5699 12.5699 12.6840 12.6840 12.8595 12.8595 k = 0.2391 0.2391-0.0000 ( 3541 PWs) bands (ev): -31.5510 -31.5510 -31.4859 -31.4859 -31.4766 -31.4766 -12.6395 -12.6395 -12.6157 -12.6157 -12.4355 -12.4355 -11.3005 -11.3005 -11.2570 -11.2570 -11.2049 -11.2049 -11.0998 -11.0998 -10.9785 -10.9785 -10.8657 -10.8657 -3.3297 -3.3297 -3.3267 -3.3267 -2.4813 -2.4813 -2.4747 -2.4747 -2.4711 -2.4711 1.4116 1.4116 5.2665 5.2665 8.5456 8.5456 9.0228 9.0228 9.3424 9.3424 9.5914 9.5914 9.9235 9.9235 10.2299 10.2299 11.1348 11.1348 11.2099 11.2099 12.5795 12.5795 12.6838 12.6838 12.7777 12.7777 k = 0.2283 0.2283-0.0000 ( 3541 PWs) bands (ev): -31.5528 -31.5528 -31.4847 -31.4847 -31.4759 -31.4759 -12.6411 -12.6411 -12.6184 -12.6184 -12.4302 -12.4302 -11.3015 -11.3015 -11.2566 -11.2566 -11.2088 -11.2088 -11.1029 -11.1029 -10.9693 -10.9693 -10.8636 -10.8636 -3.3301 -3.3301 -3.3271 -3.3271 -2.4815 -2.4815 -2.4752 -2.4752 -2.4717 -2.4717 1.3661 1.3661 5.2223 5.2223 8.6264 8.6264 9.1188 9.1188 9.3834 9.3834 9.6259 9.6259 9.9644 9.9644 10.2514 10.2514 11.0776 11.0776 11.1573 11.1573 12.5815 12.5815 12.6780 12.6780 12.7075 12.7075 k = 0.2174 0.2174-0.0000 ( 3541 PWs) bands (ev): -31.5546 -31.5546 -31.4835 -31.4835 -31.4753 -31.4753 -12.6428 -12.6428 -12.6212 -12.6212 -12.4250 -12.4250 -11.3026 -11.3026 -11.2563 -11.2563 -11.2129 -11.2129 -11.1054 -11.1054 -10.9601 -10.9601 -10.8615 -10.8615 -3.3304 -3.3304 -3.3275 -3.3275 -2.4818 -2.4818 -2.4757 -2.4757 -2.4724 -2.4724 1.3215 1.3215 5.1787 5.1787 8.7080 8.7080 9.2106 9.2106 9.4315 9.4315 9.6611 9.6611 10.0059 10.0059 10.2730 10.2730 11.0222 11.0222 11.1063 11.1063 12.5608 12.5608 12.6431 12.6431 12.6885 12.6885 k = 0.2065 0.2065-0.0000 ( 3553 PWs) bands (ev): -31.5564 -31.5564 -31.4824 -31.4824 -31.4748 -31.4748 -12.6443 -12.6443 -12.6240 -12.6240 -12.4200 -12.4200 -11.3039 -11.3039 -11.2562 -11.2562 -11.2170 -11.2170 -11.1075 -11.1075 -10.9508 -10.9508 -10.8594 -10.8594 -3.3308 -3.3308 -3.3280 -3.3280 -2.4820 -2.4820 -2.4762 -2.4762 -2.4730 -2.4730 1.2779 1.2779 5.1360 5.1360 8.7902 8.7902 9.2954 9.2954 9.4886 9.4886 9.6969 9.6969 10.0475 10.0475 10.2947 10.2947 10.9688 10.9688 11.0571 11.0571 12.5065 12.5065 12.6237 12.6237 12.6877 12.6877 k = 0.1957 0.1957-0.0000 ( 3545 PWs) bands (ev): -31.5580 -31.5580 -31.4813 -31.4813 -31.4742 -31.4742 -12.6458 -12.6458 -12.6269 -12.6269 -12.4152 -12.4152 -11.3052 -11.3052 -11.2562 -11.2562 -11.2211 -11.2211 -11.1091 -11.1091 -10.9415 -10.9415 -10.8574 -10.8574 -3.3311 -3.3311 -3.3284 -3.3284 -2.4823 -2.4823 -2.4767 -2.4767 -2.4737 -2.4737 1.2355 1.2355 5.0942 5.0942 8.8726 8.8726 9.3708 9.3708 9.5562 9.5562 9.7333 9.7333 10.0889 10.0889 10.3163 10.3163 10.9175 10.9175 11.0099 11.0099 12.4419 12.4419 12.6131 12.6131 12.6895 12.6895 k = 0.1848 0.1848-0.0000 ( 3549 PWs) bands (ev): -31.5597 -31.5597 -31.4802 -31.4802 -31.4737 -31.4737 -12.6473 -12.6473 -12.6297 -12.6297 -12.4107 -12.4107 -11.3067 -11.3067 -11.2563 -11.2563 -11.2251 -11.2251 -11.1102 -11.1102 -10.9322 -10.9322 -10.8554 -10.8554 -3.3315 -3.3315 -3.3289 -3.3289 -2.4826 -2.4826 -2.4772 -2.4772 -2.4743 -2.4743 1.1946 1.1946 5.0537 5.0537 8.9551 8.9551 9.4365 9.4365 9.6333 9.6333 9.7701 9.7701 10.1296 10.1296 10.3377 10.3377 10.8683 10.8683 10.9646 10.9646 12.3794 12.3794 12.6015 12.6015 12.6922 12.6922 k = 0.1739 0.1739-0.0000 ( 3551 PWs) bands (ev): -31.5612 -31.5612 -31.4791 -31.4791 -31.4733 -31.4733 -12.6486 -12.6486 -12.6325 -12.6325 -12.4063 -12.4063 -11.3084 -11.3084 -11.2565 -11.2565 -11.2290 -11.2290 -11.1110 -11.1110 -10.9231 -10.9231 -10.8535 -10.8535 -3.3318 -3.3318 -3.3294 -3.3294 -2.4828 -2.4828 -2.4777 -2.4777 -2.4750 -2.4750 1.1551 1.1551 5.0146 5.0146 9.0374 9.0374 9.4951 9.4951 9.7159 9.7159 9.8077 9.8077 10.1692 10.1692 10.3587 10.3587 10.8215 10.8215 10.9214 10.9214 12.3221 12.3221 12.5877 12.5877 12.6946 12.6946 k = 0.1630 0.1630-0.0000 ( 3551 PWs) bands (ev): -31.5627 -31.5627 -31.4781 -31.4781 -31.4728 -31.4728 -12.6499 -12.6499 -12.6353 -12.6353 -12.4022 -12.4022 -11.3101 -11.3101 -11.2567 -11.2567 -11.2328 -11.2328 -11.1114 -11.1114 -10.9142 -10.9142 -10.8517 -10.8517 -3.3321 -3.3321 -3.3299 -3.3299 -2.4831 -2.4831 -2.4781 -2.4781 -2.4757 -2.4757 1.1173 1.1173 4.9770 4.9770 9.1194 9.1194 9.5494 9.5494 9.7979 9.7979 9.8477 9.8477 10.2069 10.2069 10.3794 10.3794 10.7772 10.7772 10.8805 10.8805 12.2718 12.2718 12.5722 12.5722 12.6958 12.6958 k = 0.1522 0.1522-0.0000 ( 3543 PWs) bands (ev): -31.5641 -31.5641 -31.4771 -31.4771 -31.4725 -31.4725 -12.6512 -12.6512 -12.6380 -12.6380 -12.3984 -12.3984 -11.3120 -11.3120 -11.2570 -11.2570 -11.2363 -11.2363 -11.1115 -11.1115 -10.9054 -10.9054 -10.8499 -10.8499 -3.3325 -3.3325 -3.3304 -3.3304 -2.4834 -2.4834 -2.4786 -2.4786 -2.4764 -2.4764 1.0814 1.0814 4.9412 4.9412 9.2008 9.2008 9.6011 9.6011 9.8642 9.8642 9.9021 9.9021 10.2422 10.2422 10.3995 10.3995 10.7356 10.7356 10.8418 10.8418 12.2295 12.2295 12.5558 12.5558 12.6952 12.6952 k = 0.1413 0.1413-0.0000 ( 3539 PWs) bands (ev): -31.5654 -31.5654 -31.4761 -31.4761 -31.4721 -31.4721 -12.6523 -12.6523 -12.6406 -12.6406 -12.3948 -12.3948 -11.3141 -11.3141 -11.2573 -11.2573 -11.2396 -11.2396 -11.1114 -11.1114 -10.8970 -10.8970 -10.8482 -10.8482 -3.3328 -3.3328 -3.3309 -3.3309 -2.4836 -2.4836 -2.4790 -2.4790 -2.4770 -2.4770 1.0473 1.0473 4.9072 4.9072 9.2814 9.2814 9.6512 9.6512 9.9068 9.9068 9.9759 9.9759 10.2744 10.2744 10.4189 10.4189 10.6971 10.6971 10.8055 10.8055 12.1959 12.1959 12.5394 12.5394 12.6925 12.6925 k = 0.1304 0.1304-0.0000 ( 3547 PWs) bands (ev): -31.5667 -31.5667 -31.4753 -31.4753 -31.4718 -31.4718 -12.6534 -12.6534 -12.6432 -12.6432 -12.3914 -12.3914 -11.3161 -11.3161 -11.2576 -11.2576 -11.2426 -11.2426 -11.1112 -11.1112 -10.8890 -10.8890 -10.8466 -10.8466 -3.3330 -3.3330 -3.3314 -3.3314 -2.4839 -2.4839 -2.4794 -2.4794 -2.4777 -2.4777 1.0153 1.0153 4.8753 4.8753 9.3611 9.3611 9.7001 9.7001 9.9430 9.9430 10.0493 10.0493 10.3027 10.3027 10.4375 10.4375 10.6620 10.6620 10.7716 10.7716 12.1719 12.1719 12.5237 12.5237 12.6875 12.6875 k = 0.1196 0.1196-0.0000 ( 3547 PWs) bands (ev): -31.5678 -31.5678 -31.4744 -31.4744 -31.4714 -31.4714 -12.6544 -12.6544 -12.6456 -12.6456 -12.3883 -12.3883 -11.3182 -11.3182 -11.2579 -11.2579 -11.2454 -11.2454 -11.1107 -11.1107 -10.8813 -10.8813 -10.8451 -10.8451 -3.3333 -3.3333 -3.3319 -3.3319 -2.4842 -2.4842 -2.4798 -2.4798 -2.4783 -2.4783 0.9854 0.9854 4.8454 4.8454 9.4397 9.4397 9.7479 9.7479 9.9770 9.9770 10.1160 10.1160 10.3264 10.3264 10.4551 10.4551 10.6310 10.6310 10.7402 10.7402 12.1577 12.1577 12.5096 12.5096 12.6805 12.6805 k = 0.1087 0.1087-0.0000 ( 3543 PWs) bands (ev): -31.5689 -31.5689 -31.4737 -31.4737 -31.4711 -31.4711 -12.6553 -12.6553 -12.6479 -12.6479 -12.3855 -12.3855 -11.3203 -11.3203 -11.2582 -11.2582 -11.2479 -11.2479 -11.1102 -11.1102 -10.8741 -10.8741 -10.8438 -10.8438 -3.3336 -3.3336 -3.3324 -3.3324 -2.4844 -2.4844 -2.4802 -2.4802 -2.4789 -2.4789 0.9578 0.9578 4.8178 4.8178 9.5170 9.5170 9.7945 9.7945 10.0092 10.0092 10.1732 10.1732 10.3450 10.3450 10.4716 10.4716 10.6048 10.6048 10.7113 10.7113 12.1535 12.1535 12.4979 12.4979 12.6718 12.6718 k = 0.0978 0.0978-0.0000 ( 3543 PWs) bands (ev): -31.5699 -31.5699 -31.4730 -31.4730 -31.4709 -31.4709 -12.6562 -12.6562 -12.6500 -12.6500 -12.3830 -12.3830 -11.3224 -11.3224 -11.2584 -11.2584 -11.2501 -11.2501 -11.1097 -11.1097 -10.8674 -10.8674 -10.8425 -10.8425 -3.3338 -3.3338 -3.3328 -3.3328 -2.4847 -2.4847 -2.4805 -2.4805 -2.4794 -2.4794 0.9325 0.9325 4.7926 4.7926 9.5927 9.5927 9.8398 9.8398 10.0395 10.0395 10.2188 10.2188 10.3577 10.3577 10.4870 10.4870 10.5844 10.5844 10.6851 10.6851 12.1585 12.1585 12.4895 12.4895 12.6619 12.6619 k = 0.0870 0.0870-0.0000 ( 3539 PWs) bands (ev): -31.5707 -31.5707 -31.4723 -31.4723 -31.4707 -31.4707 -12.6569 -12.6569 -12.6520 -12.6520 -12.3807 -12.3807 -11.3243 -11.3243 -11.2586 -11.2586 -11.2521 -11.2521 -11.1091 -11.1091 -10.8613 -10.8613 -10.8414 -10.8414 -3.3340 -3.3340 -3.3332 -3.3332 -2.4849 -2.4849 -2.4808 -2.4808 -2.4799 -2.4799 0.9097 0.9097 4.7697 4.7697 9.6667 9.6667 9.8836 9.8836 10.0675 10.0675 10.2510 10.2510 10.3645 10.3645 10.5011 10.5011 10.5706 10.5706 10.6615 10.6615 12.1714 12.1714 12.4856 12.4856 12.6516 12.6516 k = 0.0761 0.0761-0.0000 ( 3535 PWs) bands (ev): -31.5715 -31.5715 -31.4717 -31.4717 -31.4705 -31.4705 -12.6576 -12.6576 -12.6537 -12.6537 -12.3786 -12.3786 -11.3262 -11.3262 -11.2588 -11.2588 -11.2538 -11.2538 -11.1085 -11.1085 -10.8558 -10.8558 -10.8403 -10.8403 -3.3342 -3.3342 -3.3336 -3.3336 -2.4851 -2.4851 -2.4811 -2.4811 -2.4804 -2.4804 0.8894 0.8894 4.7494 4.7494 9.7388 9.7388 9.9258 9.9258 10.0930 10.0930 10.2691 10.2691 10.3649 10.3649 10.5143 10.5143 10.5635 10.5635 10.6405 10.6405 12.1897 12.1897 12.4872 12.4872 12.6414 12.6414 k = 0.0652 0.0652-0.0000 ( 3529 PWs) bands (ev): -31.5722 -31.5722 -31.4712 -31.4712 -31.4703 -31.4703 -12.6582 -12.6582 -12.6553 -12.6553 -12.3769 -12.3769 -11.3278 -11.3278 -11.2590 -11.2590 -11.2553 -11.2553 -11.1079 -11.1079 -10.8509 -10.8509 -10.8395 -10.8395 -3.3344 -3.3344 -3.3339 -3.3339 -2.4853 -2.4853 -2.4813 -2.4813 -2.4808 -2.4808 0.8716 0.8716 4.7316 4.7316 9.8087 9.8087 9.9662 9.9662 10.1157 10.1157 10.2743 10.2743 10.3586 10.3586 10.5267 10.5267 10.5618 10.5618 10.6223 10.6223 12.2101 12.2101 12.4957 12.4957 12.6320 12.6320 k = 0.0543 0.0543-0.0000 ( 3537 PWs) bands (ev): -31.5728 -31.5728 -31.4708 -31.4708 -31.4701 -31.4701 -12.6587 -12.6587 -12.6567 -12.6567 -12.3754 -12.3754 -11.3293 -11.3293 -11.2591 -11.2591 -11.2566 -11.2566 -11.1074 -11.1074 -10.8467 -10.8467 -10.8387 -10.8387 -3.3345 -3.3345 -3.3342 -3.3342 -2.4855 -2.4855 -2.4815 -2.4815 -2.4811 -2.4811 0.8565 0.8565 4.7165 4.7165 9.8760 9.8760 10.0046 10.0046 10.1352 10.1352 10.2693 10.2693 10.3455 10.3455 10.5386 10.5386 10.5632 10.5632 10.6068 10.6068 12.2292 12.2292 12.5118 12.5118 12.6240 12.6240 k = 0.0435 0.0435-0.0000 ( 3527 PWs) bands (ev): -31.5733 -31.5733 -31.4704 -31.4704 -31.4700 -31.4700 -12.6591 -12.6591 -12.6578 -12.6578 -12.3742 -12.3742 -11.3306 -11.3306 -11.2592 -11.2592 -11.2576 -11.2576 -11.1070 -11.1070 -10.8432 -10.8432 -10.8381 -10.8381 -3.3346 -3.3346 -3.3344 -3.3344 -2.4856 -2.4856 -2.4817 -2.4817 -2.4814 -2.4814 0.8440 0.8440 4.7040 4.7040 9.9405 9.9405 10.0408 10.0408 10.1512 10.1512 10.2571 10.2571 10.3258 10.3258 10.5493 10.5493 10.5658 10.5658 10.5941 10.5941 12.2444 12.2444 12.5343 12.5343 12.6176 12.6176 k = 0.0326 0.0326-0.0000 ( 3513 PWs) bands (ev): -31.5736 -31.5736 -31.4701 -31.4701 -31.4699 -31.4699 -12.6594 -12.6594 -12.6587 -12.6587 -12.3733 -12.3733 -11.3315 -11.3315 -11.2592 -11.2592 -11.2583 -11.2583 -11.1067 -11.1067 -10.8405 -10.8405 -10.8376 -10.8376 -3.3347 -3.3347 -3.3346 -3.3346 -2.4857 -2.4857 -2.4818 -2.4818 -2.4817 -2.4817 0.8343 0.8343 4.6943 4.6943 10.0016 10.0016 10.0747 10.0747 10.1632 10.1632 10.2399 10.2399 10.3004 10.3004 10.5584 10.5584 10.5684 10.5684 10.5843 10.5843 12.2548 12.2548 12.5601 12.5601 12.6129 12.6129 k = 0.0217 0.0217-0.0000 ( 3513 PWs) bands (ev): -31.5739 -31.5739 -31.4699 -31.4699 -31.4698 -31.4698 -12.6596 -12.6596 -12.6593 -12.6593 -12.3726 -12.3726 -11.3323 -11.3323 -11.2593 -11.2593 -11.2589 -11.2589 -11.1064 -11.1064 -10.8385 -10.8385 -10.8372 -10.8372 -3.3348 -3.3348 -3.3347 -3.3347 -2.4858 -2.4858 -2.4819 -2.4819 -2.4818 -2.4818 0.8273 0.8273 4.6874 4.6874 10.0587 10.0587 10.1059 10.1059 10.1700 10.1700 10.2187 10.2187 10.2717 10.2717 10.5652 10.5652 10.5702 10.5702 10.5772 10.5772 12.2611 12.2611 12.5841 12.5841 12.6097 12.6097 k = 0.0109 0.0109-0.0000 ( 3537 PWs) bands (ev): -31.5741 -31.5741 -31.4698 -31.4698 -31.4698 -31.4698 -12.6598 -12.6598 -12.6597 -12.6597 -12.3722 -12.3722 -11.3327 -11.3327 -11.2593 -11.2593 -11.2592 -11.2592 -11.1062 -11.1062 -10.8374 -10.8374 -10.8370 -10.8370 -3.3348 -3.3348 -3.3348 -3.3348 -2.4859 -2.4859 -2.4819 -2.4819 -2.4819 -2.4819 0.8231 0.8231 4.6832 4.6832 10.1109 10.1109 10.1337 10.1337 10.1691 10.1691 10.1922 10.1922 10.2459 10.2459 10.5693 10.5693 10.5710 10.5710 10.5734 10.5734 12.2644 12.2644 12.6011 12.6011 12.6079 12.6079 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -31.5742 -31.5742 -31.4699 -31.4699 -31.4699 -31.4699 -12.6598 -12.6598 -12.6598 -12.6598 -12.3720 -12.3720 -11.3328 -11.3328 -11.2593 -11.2593 -11.2593 -11.2593 -11.1062 -11.1062 -10.8370 -10.8370 -10.8370 -10.8370 -3.3348 -3.3348 -3.3348 -3.3348 -2.4859 -2.4859 -2.4820 -2.4820 -2.4820 -2.4820 0.8217 0.8217 4.6818 4.6818 10.1533 10.1533 10.1533 10.1533 10.1594 10.1594 10.1594 10.1594 10.2352 10.2352 10.5706 10.5706 10.5706 10.5706 10.5728 10.5728 12.2653 12.2653 12.6073 12.6073 12.6073 12.6073 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -31.5742 -31.5742 -31.4699 -31.4699 -31.4699 -31.4699 -12.6598 -12.6598 -12.6598 -12.6598 -12.3720 -12.3720 -11.3328 -11.3328 -11.2593 -11.2593 -11.2593 -11.2593 -11.1062 -11.1062 -10.8370 -10.8370 -10.8370 -10.8370 -3.3348 -3.3348 -3.3348 -3.3348 -2.4859 -2.4859 -2.4820 -2.4820 -2.4820 -2.4820 0.8217 0.8217 4.6818 4.6818 10.1533 10.1533 10.1533 10.1533 10.1594 10.1594 10.1594 10.1594 10.2352 10.2352 10.5706 10.5706 10.5706 10.5706 10.5728 10.5728 12.2653 12.2653 12.6073 12.6073 12.6073 12.6073 k = 0.0089 0.0089 0.0089 ( 3536 PWs) bands (ev): -31.5741 -31.5741 -31.4698 -31.4698 -31.4698 -31.4698 -12.6597 -12.6597 -12.6597 -12.6597 -12.3722 -12.3722 -11.3327 -11.3327 -11.2593 -11.2593 -11.2592 -11.2592 -11.1062 -11.1062 -10.8374 -10.8374 -10.8370 -10.8370 -3.3348 -3.3348 -3.3348 -3.3348 -2.4859 -2.4859 -2.4819 -2.4819 -2.4819 -2.4819 0.8231 0.8231 4.6832 4.6832 10.1155 10.1155 10.1265 10.1265 10.1700 10.1700 10.1940 10.1940 10.2456 10.2456 10.5689 10.5689 10.5715 10.5715 10.5733 10.5733 12.2644 12.2644 12.6015 12.6015 12.6075 12.6075 k = 0.0179 0.0179 0.0179 ( 3527 PWs) bands (ev): -31.5739 -31.5739 -31.4699 -31.4699 -31.4699 -31.4699 -12.6596 -12.6596 -12.6594 -12.6594 -12.3726 -12.3726 -11.3322 -11.3322 -11.2593 -11.2593 -11.2589 -11.2589 -11.1064 -11.1064 -10.8386 -10.8386 -10.8372 -10.8372 -3.3348 -3.3348 -3.3347 -3.3347 -2.4858 -2.4858 -2.4819 -2.4819 -2.4818 -2.4818 0.8274 0.8274 4.6874 4.6874 10.0721 10.0721 10.0878 10.0878 10.1681 10.1681 10.2280 10.2280 10.2685 10.2685 10.5629 10.5629 10.5742 10.5742 10.5755 10.5755 12.2613 12.2613 12.5852 12.5852 12.6081 12.6081 k = 0.0268 0.0268 0.0268 ( 3515 PWs) bands (ev): -31.5736 -31.5736 -31.4700 -31.4700 -31.4700 -31.4700 -12.6593 -12.6593 -12.6588 -12.6588 -12.3733 -12.3733 -11.3315 -11.3315 -11.2592 -11.2592 -11.2583 -11.2583 -11.1067 -11.1067 -10.8407 -10.8407 -10.8375 -10.8375 -3.3347 -3.3347 -3.3346 -3.3346 -2.4857 -2.4857 -2.4818 -2.4818 -2.4817 -2.4817 0.8345 0.8345 4.6945 4.6945 10.0260 10.0260 10.0440 10.0440 10.1574 10.1574 10.2578 10.2578 10.2932 10.2932 10.5523 10.5523 10.5791 10.5791 10.5798 10.5798 12.2559 12.2559 12.5620 12.5620 12.6094 12.6094 k = 0.0357 0.0357 0.0357 ( 3524 PWs) bands (ev): -31.5732 -31.5732 -31.4702 -31.4702 -31.4702 -31.4702 -12.6588 -12.6588 -12.6580 -12.6580 -12.3742 -12.3742 -11.3305 -11.3305 -11.2592 -11.2592 -11.2575 -11.2575 -11.1070 -11.1070 -10.8435 -10.8435 -10.8379 -10.8379 -3.3346 -3.3346 -3.3344 -3.3344 -2.4856 -2.4856 -2.4817 -2.4817 -2.4814 -2.4814 0.8443 0.8443 4.7043 4.7043 9.9775 9.9775 9.9968 9.9968 10.1407 10.1407 10.2829 10.2829 10.3147 10.3147 10.5365 10.5365 10.5866 10.5866 10.5868 10.5868 12.2474 12.2474 12.5367 12.5367 12.6115 12.6115 k = 0.0446 0.0446 0.0446 ( 3536 PWs) bands (ev): -31.5728 -31.5728 -31.4705 -31.4705 -31.4705 -31.4705 -12.6583 -12.6583 -12.6570 -12.6570 -12.3755 -12.3755 -11.3293 -11.3293 -11.2591 -11.2591 -11.2565 -11.2565 -11.1074 -11.1074 -10.8471 -10.8471 -10.8384 -10.8384 -3.3345 -3.3345 -3.3341 -3.3341 -2.4855 -2.4855 -2.4815 -2.4815 -2.4812 -2.4812 0.8569 0.8569 4.7169 4.7169 9.9269 9.9269 9.9470 9.9470 10.1189 10.1189 10.3026 10.3026 10.3309 10.3309 10.5149 10.5149 10.5971 10.5971 10.5972 10.5972 12.2358 12.2358 12.5140 12.5140 12.6149 12.6149 k = 0.0536 0.0536 0.0536 ( 3536 PWs) bands (ev): -31.5722 -31.5722 -31.4708 -31.4708 -31.4708 -31.4708 -12.6576 -12.6576 -12.6558 -12.6558 -12.3770 -12.3770 -11.3278 -11.3278 -11.2590 -11.2590 -11.2553 -11.2553 -11.1079 -11.1079 -10.8515 -10.8515 -10.8390 -10.8390 -3.3344 -3.3344 -3.3339 -3.3339 -2.4853 -2.4853 -2.4813 -2.4813 -2.4808 -2.4808 0.8723 0.8723 4.7322 4.7322 9.8742 9.8742 9.8950 9.8950 10.0928 10.0928 10.3164 10.3164 10.3402 10.3402 10.4872 10.4872 10.6114 10.6114 10.6116 10.6116 12.2214 12.2214 12.4977 12.4977 12.6199 12.6199 k = 0.0625 0.0625 0.0625 ( 3530 PWs) bands (ev): -31.5715 -31.5715 -31.4711 -31.4711 -31.4711 -31.4711 -12.6569 -12.6569 -12.6544 -12.6544 -12.3787 -12.3787 -11.3261 -11.3261 -11.2588 -11.2588 -11.2538 -11.2538 -11.1084 -11.1084 -10.8566 -10.8566 -10.8397 -10.8397 -3.3342 -3.3342 -3.3335 -3.3335 -2.4851 -2.4851 -2.4810 -2.4810 -2.4804 -2.4804 0.8904 0.8904 4.7502 4.7502 9.8195 9.8195 9.8410 9.8410 10.0624 10.0624 10.3241 10.3241 10.3418 10.3418 10.4532 10.4532 10.6299 10.6299 10.6300 10.6300 12.2058 12.2058 12.4895 12.4895 12.6269 12.6269 k = 0.0714 0.0714 0.0714 ( 3527 PWs) bands (ev): -31.5707 -31.5707 -31.4715 -31.4715 -31.4715 -31.4715 -12.6560 -12.6560 -12.6528 -12.6528 -12.3808 -12.3808 -11.3243 -11.3243 -11.2586 -11.2586 -11.2521 -11.2521 -11.1089 -11.1089 -10.8624 -10.8624 -10.8405 -10.8405 -3.3340 -3.3340 -3.3331 -3.3331 -2.4849 -2.4849 -2.4807 -2.4807 -2.4799 -2.4799 0.9112 0.9112 4.7709 4.7709 9.7631 9.7631 9.7852 9.7852 10.0278 10.0278 10.3259 10.3259 10.3348 10.3348 10.4142 10.4142 10.6522 10.6522 10.6527 10.6527 12.1916 12.1916 12.4897 12.4897 12.6364 12.6364 k = 0.0804 0.0804 0.0804 ( 3545 PWs) bands (ev): -31.5698 -31.5698 -31.4720 -31.4720 -31.4720 -31.4720 -12.6551 -12.6551 -12.6510 -12.6510 -12.3831 -12.3831 -11.3224 -11.3224 -11.2584 -11.2584 -11.2502 -11.2502 -11.1094 -11.1094 -10.8688 -10.8688 -10.8414 -10.8414 -3.3338 -3.3338 -3.3327 -3.3327 -2.4847 -2.4847 -2.4804 -2.4804 -2.4794 -2.4794 0.9345 0.9345 4.7940 4.7940 9.7050 9.7050 9.7278 9.7278 9.9888 9.9888 10.3161 10.3161 10.3222 10.3222 10.3742 10.3742 10.6780 10.6780 10.6791 10.6791 12.1811 12.1811 12.4974 12.4974 12.6485 12.6485 k = 0.0893 0.0893 0.0893 ( 3551 PWs) bands (ev): -31.5688 -31.5688 -31.4725 -31.4725 -31.4725 -31.4725 -12.6541 -12.6541 -12.6491 -12.6491 -12.3857 -12.3857 -11.3205 -11.3205 -11.2581 -11.2581 -11.2481 -11.2481 -11.1099 -11.1099 -10.8757 -10.8757 -10.8423 -10.8423 -3.3336 -3.3336 -3.3323 -3.3323 -2.4845 -2.4845 -2.4800 -2.4800 -2.4789 -2.4789 0.9605 0.9605 4.8196 4.8196 9.6452 9.6452 9.6688 9.6688 9.9451 9.9451 10.2798 10.2798 10.3137 10.3137 10.3411 10.3411 10.7070 10.7070 10.7086 10.7086 12.1763 12.1763 12.5117 12.5117 12.6635 12.6635 k = 0.0982 0.0982 0.0982 ( 3548 PWs) bands (ev): -31.5677 -31.5677 -31.4730 -31.4730 -31.4730 -31.4730 -12.6530 -12.6530 -12.6470 -12.6470 -12.3886 -12.3886 -11.3185 -11.3185 -11.2577 -11.2577 -11.2457 -11.2457 -11.1102 -11.1102 -10.8832 -10.8832 -10.8433 -10.8433 -3.3334 -3.3334 -3.3318 -3.3318 -2.4843 -2.4843 -2.4796 -2.4796 -2.4783 -2.4783 0.9889 0.9889 4.8476 4.8476 9.5840 9.5840 9.6083 9.6083 9.8961 9.8961 10.2286 10.2286 10.3011 10.3011 10.3147 10.3147 10.7388 10.7388 10.7407 10.7407 12.1784 12.1784 12.5316 12.5316 12.6815 12.6815 k = 0.1071 0.1071 0.1071 ( 3548 PWs) bands (ev): -31.5666 -31.5666 -31.4736 -31.4736 -31.4736 -31.4736 -12.6519 -12.6519 -12.6448 -12.6448 -12.3918 -12.3918 -11.3166 -11.3166 -11.2573 -11.2573 -11.2431 -11.2431 -11.1104 -11.1104 -10.8911 -10.8911 -10.8444 -10.8444 -3.3331 -3.3331 -3.3313 -3.3313 -2.4840 -2.4840 -2.4792 -2.4792 -2.4777 -2.4777 1.0197 1.0197 4.8779 4.8779 9.5212 9.5212 9.5464 9.5464 9.8411 9.8411 10.1708 10.1708 10.2852 10.2852 10.2892 10.2892 10.7730 10.7730 10.7752 10.7752 12.1877 12.1877 12.5564 12.5564 12.7026 12.7026 k = 0.1161 0.1161 0.1161 ( 3548 PWs) bands (ev): -31.5653 -31.5653 -31.4742 -31.4742 -31.4742 -31.4742 -12.6507 -12.6507 -12.6425 -12.6425 -12.3952 -12.3952 -11.3149 -11.3149 -11.2567 -11.2567 -11.2403 -11.2403 -11.1104 -11.1104 -10.8995 -10.8995 -10.8455 -10.8455 -3.3329 -3.3329 -3.3308 -3.3308 -2.4838 -2.4838 -2.4787 -2.4787 -2.4771 -2.4771 1.0529 1.0529 4.9104 4.9104 9.4572 9.4572 9.4831 9.4831 9.7792 9.7792 10.1113 10.1113 10.2625 10.2625 10.2665 10.2665 10.8095 10.8095 10.8118 10.8118 12.2041 12.2041 12.5855 12.5855 12.7266 12.7266 k = 0.1250 0.1250 0.1250 ( 3548 PWs) bands (ev): -31.5640 -31.5640 -31.4748 -31.4748 -31.4748 -31.4748 -12.6495 -12.6495 -12.6401 -12.6401 -12.3990 -12.3990 -11.3134 -11.3134 -11.2561 -11.2561 -11.2373 -11.2373 -11.1101 -11.1101 -10.9081 -10.9081 -10.8467 -10.8467 -3.3326 -3.3326 -3.3303 -3.3303 -2.4836 -2.4836 -2.4783 -2.4783 -2.4764 -2.4764 1.0884 1.0884 4.9449 4.9449 9.3918 9.3918 9.4185 9.4185 9.7101 9.7101 10.0527 10.0527 10.2345 10.2345 10.2457 10.2457 10.8480 10.8480 10.8503 10.8503 12.2273 12.2273 12.6182 12.6182 12.7535 12.7535 k = 0.1339 0.1339 0.1339 ( 3542 PWs) bands (ev): -31.5625 -31.5625 -31.4755 -31.4755 -31.4755 -31.4755 -12.6482 -12.6482 -12.6376 -12.6376 -12.4029 -12.4029 -11.3121 -11.3121 -11.2555 -11.2555 -11.2340 -11.2340 -11.1096 -11.1096 -10.9170 -10.9170 -10.8478 -10.8478 -3.3323 -3.3323 -3.3297 -3.3297 -2.4834 -2.4834 -2.4778 -2.4778 -2.4757 -2.4757 1.1261 1.1261 4.9812 4.9812 9.3252 9.3252 9.3527 9.3527 9.6341 9.6341 9.9965 9.9965 10.2053 10.2053 10.2233 10.2233 10.8885 10.8885 10.8907 10.8907 12.2566 12.2566 12.6541 12.6541 12.7830 12.7830 k = 0.1429 0.1429 0.1429 ( 3542 PWs) bands (ev): -31.5610 -31.5610 -31.4763 -31.4763 -31.4763 -31.4763 -12.6470 -12.6470 -12.6351 -12.6351 -12.4072 -12.4072 -11.3112 -11.3112 -11.2548 -11.2548 -11.2305 -11.2305 -11.1087 -11.1087 -10.9260 -10.9260 -10.8490 -10.8490 -3.3321 -3.3321 -3.3292 -3.3292 -2.4832 -2.4832 -2.4773 -2.4773 -2.4750 -2.4750 1.1658 1.1658 5.0194 5.0194 9.2575 9.2575 9.2856 9.2856 9.5517 9.5517 9.9433 9.9433 10.1754 10.1754 10.1998 10.1998 10.9308 10.9308 10.9328 10.9328 12.2913 12.2913 12.6926 12.6926 12.8147 12.8147 k = 0.1518 0.1518 0.1518 ( 3542 PWs) bands (ev): -31.5595 -31.5595 -31.4770 -31.4770 -31.4770 -31.4770 -12.6457 -12.6457 -12.6325 -12.6325 -12.4117 -12.4117 -11.3106 -11.3106 -11.2541 -11.2541 -11.2268 -11.2268 -11.1074 -11.1074 -10.9350 -10.9350 -10.8502 -10.8502 -3.3318 -3.3318 -3.3287 -3.3287 -2.4830 -2.4830 -2.4767 -2.4767 -2.4744 -2.4744 1.2076 1.2076 5.0590 5.0590 9.1888 9.1888 9.2173 9.2173 9.4644 9.4644 9.8931 9.8931 10.1453 10.1453 10.1757 10.1757 10.9749 10.9749 10.9767 10.9767 12.3306 12.3306 12.7331 12.7331 12.8481 12.8481 k = 0.1607 0.1607 0.1607 ( 3536 PWs) bands (ev): -31.5579 -31.5579 -31.4778 -31.4778 -31.4778 -31.4778 -12.6445 -12.6445 -12.6298 -12.6298 -12.4165 -12.4165 -11.3104 -11.3104 -11.2535 -11.2535 -11.2229 -11.2229 -11.1057 -11.1057 -10.9440 -10.9440 -10.8514 -10.8514 -3.3315 -3.3315 -3.3282 -3.3282 -2.4828 -2.4828 -2.4762 -2.4762 -2.4737 -2.4737 1.2513 1.2513 5.1001 5.1001 9.1192 9.1192 9.1479 9.1479 9.3732 9.3732 9.8456 9.8456 10.1154 10.1154 10.1514 10.1514 11.0206 11.0206 11.0222 11.0222 12.3737 12.3737 12.7749 12.7749 12.8828 12.8828 k = 0.1696 0.1696 0.1696 ( 3536 PWs) bands (ev): -31.5562 -31.5562 -31.4786 -31.4786 -31.4786 -31.4786 -12.6433 -12.6433 -12.6272 -12.6272 -12.4216 -12.4216 -11.3106 -11.3106 -11.2531 -11.2531 -11.2188 -11.2188 -11.1036 -11.1036 -10.9529 -10.9529 -10.8526 -10.8526 -3.3312 -3.3312 -3.3277 -3.3277 -2.4827 -2.4827 -2.4757 -2.4757 -2.4730 -2.4730 1.2968 1.2968 5.1423 5.1423 9.0488 9.0488 9.0775 9.0775 9.2797 9.2797 9.8005 9.8005 10.0862 10.0862 10.1274 10.1274 11.0680 11.0680 11.0693 11.0693 12.4197 12.4197 12.8173 12.8173 12.9180 12.9180 k = 0.1786 0.1786 0.1786 ( 3542 PWs) bands (ev): -31.5544 -31.5544 -31.4795 -31.4795 -31.4795 -31.4795 -12.6421 -12.6421 -12.6246 -12.6246 -12.4268 -12.4268 -11.3112 -11.3112 -11.2529 -11.2529 -11.2144 -11.2144 -11.1010 -11.1010 -10.9615 -10.9615 -10.8537 -10.8537 -3.3310 -3.3310 -3.3272 -3.3272 -2.4825 -2.4825 -2.4752 -2.4752 -2.4723 -2.4723 1.3440 1.3440 5.1855 5.1855 8.9777 8.9777 9.0062 9.0062 9.1849 9.1849 9.7575 9.7575 10.0580 10.0580 10.1039 10.1039 11.1169 11.1169 11.1180 11.1180 12.4677 12.4677 12.8597 12.8597 12.9530 12.9530 k = 0.1875 0.1875 0.1875 ( 3536 PWs) bands (ev): -31.5526 -31.5526 -31.4804 -31.4804 -31.4804 -31.4804 -12.6410 -12.6410 -12.6220 -12.6220 -12.4324 -12.4324 -11.3121 -11.3121 -11.2530 -11.2530 -11.2099 -11.2099 -11.0981 -11.0981 -10.9696 -10.9696 -10.8548 -10.8548 -3.3307 -3.3307 -3.3267 -3.3267 -2.4824 -2.4824 -2.4747 -2.4747 -2.4717 -2.4717 1.3928 1.3928 5.2293 5.2293 8.9061 8.9061 8.9340 8.9340 9.0896 9.0896 9.7165 9.7165 10.0312 10.0312 10.0814 10.0814 11.1673 11.1673 11.1681 11.1681 12.5167 12.5167 12.9009 12.9009 12.9868 12.9868 k = 0.1964 0.1964 0.1964 ( 3530 PWs) bands (ev): -31.5508 -31.5508 -31.4813 -31.4813 -31.4813 -31.4813 -12.6399 -12.6399 -12.6194 -12.6194 -12.4381 -12.4381 -11.3134 -11.3134 -11.2535 -11.2535 -11.2053 -11.2053 -11.0947 -11.0947 -10.9772 -10.9772 -10.8558 -10.8558 -3.3305 -3.3305 -3.3263 -3.3263 -2.4823 -2.4823 -2.4743 -2.4743 -2.4711 -2.4711 1.4431 1.4431 5.2736 5.2736 8.8341 8.8341 8.8610 8.8610 8.9949 8.9949 9.6775 9.6775 10.0060 10.0060 10.0601 10.0601 11.2191 11.2191 11.2197 11.2197 12.5655 12.5655 12.9402 12.9402 13.0185 13.0185 k = 0.2054 0.2054 0.2054 ( 3530 PWs) bands (ev): -31.5489 -31.5489 -31.4822 -31.4822 -31.4822 -31.4822 -12.6389 -12.6389 -12.6169 -12.6169 -12.4441 -12.4441 -11.3149 -11.3149 -11.2544 -11.2544 -11.2004 -11.2004 -11.0912 -11.0912 -10.9840 -10.9840 -10.8568 -10.8568 -3.3302 -3.3302 -3.3259 -3.3259 -2.4822 -2.4822 -2.4738 -2.4738 -2.4705 -2.4705 1.4948 1.4948 5.3180 5.3180 8.7619 8.7619 8.7874 8.7874 8.9013 8.9013 9.6405 9.6405 9.9826 9.9826 10.0402 10.0402 11.2722 11.2722 11.2725 11.2725 12.6128 12.6128 12.9763 12.9763 13.0467 13.0467 k = 0.2143 0.2143 0.2143 ( 3530 PWs) bands (ev): -31.5470 -31.5470 -31.4831 -31.4831 -31.4831 -31.4831 -12.6380 -12.6380 -12.6144 -12.6144 -12.4502 -12.4502 -11.3168 -11.3168 -11.2559 -11.2559 -11.1954 -11.1954 -11.0875 -11.0875 -10.9899 -10.9899 -10.8577 -10.8577 -3.3300 -3.3300 -3.3256 -3.3256 -2.4822 -2.4822 -2.4734 -2.4734 -2.4700 -2.4700 1.5477 1.5477 5.3623 5.3623 8.6896 8.6896 8.7132 8.7132 8.8094 8.8094 9.6056 9.6056 9.9613 9.9613 10.0219 10.0219 11.3265 11.3265 11.3265 11.3265 12.6572 12.6572 13.0080 13.0080 13.0705 13.0705 k = 0.2232 0.2232 0.2232 ( 3533 PWs) bands (ev): -31.5451 -31.5451 -31.4840 -31.4840 -31.4840 -31.4840 -12.6372 -12.6372 -12.6121 -12.6121 -12.4566 -12.4566 -11.3189 -11.3189 -11.2578 -11.2578 -11.1903 -11.1903 -11.0839 -11.0839 -10.9946 -10.9946 -10.8585 -10.8585 -3.3298 -3.3298 -3.3253 -3.3253 -2.4822 -2.4822 -2.4730 -2.4730 -2.4694 -2.4694 1.6017 1.6017 5.4061 5.4061 8.6174 8.6174 8.6385 8.6385 8.7198 8.7198 9.5730 9.5730 9.9422 9.9422 10.0054 10.0054 11.3816 11.3816 11.3818 11.3818 12.6971 12.6971 13.0342 13.0342 13.0884 13.0884 k = 0.2321 0.2321 0.2321 ( 3533 PWs) bands (ev): -31.5431 -31.5431 -31.4850 -31.4850 -31.4850 -31.4850 -12.6365 -12.6365 -12.6098 -12.6098 -12.4630 -12.4630 -11.3212 -11.3212 -11.2602 -11.2602 -11.1851 -11.1851 -11.0806 -11.0806 -10.9979 -10.9979 -10.8591 -10.8591 -3.3296 -3.3296 -3.3250 -3.3250 -2.4822 -2.4822 -2.4726 -2.4726 -2.4690 -2.4690 1.6567 1.6567 5.4491 5.4491 8.5455 8.5455 8.5634 8.5634 8.6329 8.6329 9.5430 9.5430 9.9254 9.9254 9.9909 9.9909 11.4375 11.4375 11.4380 11.4380 12.7311 12.7311 13.0535 13.0535 13.0994 13.0994 k = 0.2411 0.2411 0.2411 ( 3536 PWs) bands (ev): -31.5412 -31.5412 -31.4860 -31.4860 -31.4860 -31.4860 -12.6359 -12.6359 -12.6076 -12.6076 -12.4697 -12.4697 -11.3238 -11.3238 -11.2632 -11.2632 -11.1797 -11.1797 -11.0780 -11.0780 -10.9995 -10.9995 -10.8597 -10.8597 -3.3294 -3.3294 -3.3248 -3.3248 -2.4822 -2.4822 -2.4722 -2.4722 -2.4685 -2.4685 1.7126 1.7126 5.4909 5.4909 8.4740 8.4740 8.4881 8.4881 8.5489 8.5489 9.5157 9.5157 9.9110 9.9110 9.9784 9.9784 11.4943 11.4943 11.4950 11.4950 12.7582 12.7582 13.0651 13.0651 13.1029 13.1029 k = 0.2500 0.2500 0.2500 ( 3515 PWs) bands (ev): -31.5392 -31.5392 -31.4869 -31.4869 -31.4869 -31.4869 -12.6354 -12.6354 -12.6056 -12.6056 -12.4764 -12.4764 -11.3265 -11.3265 -11.2667 -11.2667 -11.1743 -11.1743 -11.0761 -11.0761 -10.9994 -10.9994 -10.8602 -10.8602 -3.3292 -3.3292 -3.3246 -3.3246 -2.4823 -2.4823 -2.4719 -2.4719 -2.4681 -2.4681 1.7692 1.7692 5.5313 5.5313 8.4032 8.4032 8.4129 8.4129 8.4681 8.4681 9.4915 9.4915 9.8990 9.8990 9.9680 9.9680 11.5517 11.5517 11.5525 11.5525 12.7777 12.7777 13.0684 13.0684 13.0984 13.0984 k = 0.2589 0.2589 0.2589 ( 3527 PWs) bands (ev): -31.5372 -31.5372 -31.4879 -31.4879 -31.4879 -31.4879 -12.6350 -12.6350 -12.6036 -12.6036 -12.4832 -12.4832 -11.3293 -11.3293 -11.2706 -11.2706 -11.1689 -11.1689 -11.0750 -11.0750 -10.9973 -10.9973 -10.8606 -10.8606 -3.3291 -3.3291 -3.3245 -3.3245 -2.4824 -2.4824 -2.4716 -2.4716 -2.4678 -2.4678 1.8263 1.8263 5.5698 5.5698 8.3332 8.3332 8.3381 8.3381 8.3904 8.3904 9.4707 9.4707 9.8895 9.8895 9.9597 9.9597 11.6094 11.6094 11.6105 11.6105 12.7893 12.7893 13.0631 13.0631 13.0860 13.0860 k = 0.2679 0.2679 0.2679 ( 3521 PWs) bands (ev): -31.5352 -31.5352 -31.4888 -31.4888 -31.4888 -31.4888 -12.6348 -12.6348 -12.6018 -12.6018 -12.4901 -12.4901 -11.3323 -11.3323 -11.2749 -11.2749 -11.1634 -11.1634 -11.0747 -11.0747 -10.9936 -10.9936 -10.8608 -10.8608 -3.3290 -3.3290 -3.3244 -3.3244 -2.4825 -2.4825 -2.4713 -2.4713 -2.4675 -2.4675 1.8839 1.8839 5.6062 5.6062 8.2641 8.2641 8.2643 8.2643 8.3153 8.3153 9.4537 9.4537 9.8825 9.8825 9.9536 9.9536 11.6673 11.6673 11.6685 11.6685 12.7935 12.7935 13.0497 13.0497 13.0662 13.0662 k = 0.2768 0.2768 0.2768 ( 3530 PWs) bands (ev): -31.5333 -31.5333 -31.4898 -31.4898 -31.4898 -31.4898 -12.6347 -12.6347 -12.6001 -12.6001 -12.4969 -12.4969 -11.3354 -11.3354 -11.2795 -11.2795 -11.1579 -11.1579 -11.0750 -11.0750 -10.9885 -10.9885 -10.8609 -10.8609 -3.3289 -3.3289 -3.3244 -3.3244 -2.4827 -2.4827 -2.4711 -2.4711 -2.4673 -2.4673 1.9418 1.9418 5.6401 5.6401 8.1923 8.1923 8.1961 8.1961 8.2428 8.2428 9.4408 9.4408 9.8778 9.8778 9.9497 9.9497 11.7252 11.7252 11.7266 11.7266 12.7910 12.7910 13.0289 13.0289 13.0399 13.0399 k = 0.2857 0.2857 0.2857 ( 3530 PWs) bands (ev): -31.5314 -31.5314 -31.4907 -31.4907 -31.4907 -31.4907 -12.6348 -12.6348 -12.5985 -12.5985 -12.5038 -12.5038 -11.3386 -11.3386 -11.2844 -11.2844 -11.1524 -11.1524 -11.0756 -11.0756 -10.9822 -10.9822 -10.8608 -10.8608 -3.3288 -3.3288 -3.3244 -3.3244 -2.4829 -2.4829 -2.4709 -2.4709 -2.4671 -2.4671 1.9998 1.9998 5.6713 5.6713 8.1222 8.1222 8.1295 8.1295 8.1725 8.1725 9.4322 9.4322 9.8756 9.8756 9.9480 9.9480 11.7828 11.7828 11.7843 11.7843 12.7825 12.7825 13.0017 13.0017 13.0081 13.0081 k = 0.2946 0.2946 0.2946 ( 3530 PWs) bands (ev): -31.5294 -31.5294 -31.4916 -31.4916 -31.4916 -31.4916 -12.6350 -12.6350 -12.5971 -12.5971 -12.5106 -12.5106 -11.3419 -11.3419 -11.2895 -11.2895 -11.1469 -11.1469 -11.0764 -11.0764 -10.9751 -10.9751 -10.8606 -10.8606 -3.3287 -3.3287 -3.3244 -3.3244 -2.4831 -2.4831 -2.4706 -2.4706 -2.4669 -2.4669 2.0578 2.0578 5.6995 5.6995 8.0546 8.0546 8.0644 8.0644 8.1043 8.1043 9.4284 9.4284 9.8758 9.8758 9.9485 9.9485 11.8397 11.8397 11.8413 11.8413 12.7689 12.7689 12.9692 12.9692 12.9716 12.9716 k = 0.3036 0.3036 0.3036 ( 3527 PWs) bands (ev): -31.5276 -31.5276 -31.4925 -31.4925 -31.4925 -31.4925 -12.6354 -12.6354 -12.5958 -12.5958 -12.5173 -12.5173 -11.3453 -11.3453 -11.2947 -11.2947 -11.1416 -11.1416 -11.0772 -11.0772 -10.9674 -10.9674 -10.8603 -10.8603 -3.3287 -3.3287 -3.3245 -3.3245 -2.4834 -2.4834 -2.4705 -2.4705 -2.4668 -2.4668 2.1155 2.1155 5.7245 5.7245 7.9896 7.9896 8.0009 8.0009 8.0382 8.0382 9.4296 9.4296 9.8782 9.8782 9.9510 9.9510 11.8957 11.8957 11.8975 11.8975 12.7509 12.7509 12.9315 12.9315 12.9324 12.9324 k = 0.3125 0.3125 0.3125 ( 3527 PWs) bands (ev): -31.5257 -31.5257 -31.4934 -31.4934 -31.4934 -31.4934 -12.6360 -12.6360 -12.5946 -12.5946 -12.5238 -12.5238 -11.3487 -11.3487 -11.2999 -11.2999 -11.1363 -11.1363 -11.0780 -11.0780 -10.9593 -10.9593 -10.8598 -10.8598 -3.3286 -3.3286 -3.3247 -3.3247 -2.4837 -2.4837 -2.4703 -2.4703 -2.4668 -2.4668 2.1729 2.1729 5.7462 5.7462 7.9272 7.9272 7.9391 7.9391 7.9741 7.9741 9.4358 9.4358 9.8828 9.8828 9.9556 9.9556 11.9504 11.9504 11.9524 11.9524 12.7292 12.7292 12.8888 12.8888 12.8926 12.8926 k = 0.3214 0.3214 0.3214 ( 3533 PWs) bands (ev): -31.5239 -31.5239 -31.4943 -31.4943 -31.4943 -31.4943 -12.6368 -12.6368 -12.5935 -12.5935 -12.5302 -12.5302 -11.3523 -11.3523 -11.3051 -11.3051 -11.1311 -11.1311 -11.0787 -11.0787 -10.9509 -10.9509 -10.8592 -10.8592 -3.3286 -3.3286 -3.3249 -3.3249 -2.4840 -2.4840 -2.4701 -2.4701 -2.4667 -2.4667 2.2297 2.2297 5.7646 5.7646 7.8674 7.8674 7.8793 7.8793 7.9123 7.9123 9.4474 9.4474 9.8896 9.8896 9.9621 9.9621 12.0034 12.0034 12.0056 12.0056 12.7043 12.7043 12.8442 12.8442 12.8506 12.8506 k = 0.3304 0.3304 0.3304 ( 3536 PWs) bands (ev): -31.5221 -31.5221 -31.4952 -31.4952 -31.4952 -31.4952 -12.6378 -12.6378 -12.5926 -12.5926 -12.5363 -12.5363 -11.3559 -11.3559 -11.3102 -11.3102 -11.1261 -11.1261 -11.0792 -11.0792 -10.9423 -10.9423 -10.8585 -10.8585 -3.3286 -3.3286 -3.3251 -3.3251 -2.4844 -2.4844 -2.4700 -2.4700 -2.4668 -2.4668 2.2857 2.2857 5.7797 5.7797 7.8103 7.8103 7.8215 7.8215 7.8527 7.8527 9.4643 9.4643 9.8983 9.8983 9.9704 9.9704 12.0541 12.0541 12.0566 12.0566 12.6766 12.6766 12.7987 12.7987 12.8073 12.8073 k = 0.3393 0.3393 0.3393 ( 3530 PWs) bands (ev): -31.5204 -31.5204 -31.4960 -31.4960 -31.4960 -31.4960 -12.6390 -12.6390 -12.5917 -12.5917 -12.5422 -12.5422 -11.3595 -11.3595 -11.3150 -11.3150 -11.1212 -11.1212 -11.0796 -11.0796 -10.9338 -10.9338 -10.8577 -10.8577 -3.3286 -3.3286 -3.3253 -3.3253 -2.4848 -2.4848 -2.4699 -2.4699 -2.4668 -2.4668 2.3408 2.3408 5.7915 5.7915 7.7559 7.7559 7.7659 7.7659 7.7954 7.7954 9.4865 9.4865 9.9088 9.9088 9.9805 9.9805 12.1020 12.1020 12.1051 12.1051 12.6464 12.6464 12.7529 12.7529 12.7638 12.7638 k = 0.3482 0.3482 0.3482 ( 3533 PWs) bands (ev): -31.5188 -31.5188 -31.4968 -31.4968 -31.4968 -31.4968 -12.6404 -12.6404 -12.5910 -12.5910 -12.5477 -12.5477 -11.3632 -11.3632 -11.3197 -11.3197 -11.1166 -11.1166 -11.0798 -11.0798 -10.9252 -10.9252 -10.8567 -10.8567 -3.3286 -3.3286 -3.3256 -3.3256 -2.4852 -2.4852 -2.4698 -2.4698 -2.4669 -2.4669 2.3948 2.3948 5.8003 5.8003 7.7040 7.7040 7.7126 7.7126 7.7406 7.7406 9.5138 9.5138 9.9211 9.9211 9.9921 9.9921 12.1462 12.1462 12.1502 12.1502 12.6141 12.6141 12.7079 12.7079 12.7210 12.7210 k = 0.3571 0.3571 0.3571 ( 3527 PWs) bands (ev): -31.5172 -31.5172 -31.4975 -31.4975 -31.4975 -31.4975 -12.6420 -12.6420 -12.5904 -12.5904 -12.5529 -12.5529 -11.3670 -11.3670 -11.3240 -11.3240 -11.1121 -11.1121 -11.0799 -11.0799 -10.9169 -10.9169 -10.8556 -10.8556 -3.3287 -3.3287 -3.3259 -3.3259 -2.4856 -2.4856 -2.4697 -2.4697 -2.4670 -2.4670 2.4474 2.4474 5.8061 5.8061 7.6547 7.6547 7.6617 7.6617 7.6882 7.6882 9.5460 9.5460 9.9349 9.9349 10.0052 10.0052 12.1858 12.1858 12.1912 12.1912 12.5801 12.5801 12.6647 12.6647 12.6800 12.6800 k = 0.3661 0.3661 0.3661 ( 3527 PWs) bands (ev): -31.5157 -31.5157 -31.4983 -31.4983 -31.4983 -31.4983 -12.6438 -12.6438 -12.5898 -12.5898 -12.5577 -12.5577 -11.3707 -11.3707 -11.3281 -11.3281 -11.1078 -11.1078 -11.0799 -11.0799 -10.9087 -10.9087 -10.8545 -10.8545 -3.3287 -3.3287 -3.3262 -3.3262 -2.4861 -2.4861 -2.4696 -2.4696 -2.4671 -2.4671 2.4984 2.4984 5.8094 5.8094 7.6079 7.6079 7.6133 7.6133 7.6385 7.6385 9.5826 9.5826 9.9501 9.9501 10.0195 10.0195 12.2192 12.2192 12.2267 12.2267 12.5447 12.5447 12.6246 12.6246 12.6422 12.6422 k = 0.3750 0.3750 0.3750 ( 3527 PWs) bands (ev): -31.5142 -31.5142 -31.4989 -31.4989 -31.4989 -31.4989 -12.6458 -12.6458 -12.5894 -12.5894 -12.5622 -12.5622 -11.3744 -11.3744 -11.3318 -11.3318 -11.1038 -11.1038 -11.0798 -11.0798 -10.9008 -10.9008 -10.8533 -10.8533 -3.3288 -3.3288 -3.3265 -3.3265 -2.4865 -2.4865 -2.4695 -2.4695 -2.4673 -2.4673 2.5477 2.5477 5.8104 5.8104 7.5637 7.5637 7.5676 7.5676 7.5915 7.5915 9.6234 9.6234 9.9665 9.9665 10.0349 10.0349 12.2446 12.2446 12.2549 12.2549 12.5083 12.5083 12.5896 12.5896 12.6098 12.6098 k = 0.3839 0.3839 0.3839 ( 3521 PWs) bands (ev): -31.5129 -31.5129 -31.4996 -31.4996 -31.4996 -31.4996 -12.6479 -12.6479 -12.5890 -12.5890 -12.5662 -12.5662 -11.3781 -11.3781 -11.3352 -11.3352 -11.1001 -11.1001 -11.0796 -11.0796 -10.8932 -10.8932 -10.8520 -10.8520 -3.3289 -3.3289 -3.3268 -3.3268 -2.4869 -2.4869 -2.4694 -2.4694 -2.4675 -2.4675 2.5949 2.5949 5.8093 5.8093 7.5220 7.5220 7.5246 7.5246 7.5472 7.5472 9.6675 9.6675 9.9839 9.9839 10.0511 10.0511 12.2597 12.2597 12.2736 12.2736 12.4708 12.4708 12.5624 12.5624 12.5852 12.5852 k = 0.3929 0.3929 0.3929 ( 3515 PWs) bands (ev): -31.5116 -31.5116 -31.5002 -31.5002 -31.5002 -31.5002 -12.6501 -12.6501 -12.5887 -12.5887 -12.5698 -12.5698 -11.3817 -11.3817 -11.3383 -11.3383 -11.0966 -11.0966 -11.0793 -11.0793 -10.8860 -10.8860 -10.8508 -10.8508 -3.3289 -3.3289 -3.3271 -3.3271 -2.4874 -2.4874 -2.4694 -2.4694 -2.4676 -2.4676 2.6399 2.6399 5.8067 5.8067 7.4829 7.4829 7.4844 7.4844 7.5057 7.5057 9.7145 9.7145 10.0021 10.0021 10.0679 10.0679 12.2628 12.2628 12.2801 12.2801 12.4322 12.4322 12.5456 12.5456 12.5709 12.5709 k = 0.4018 0.4018 0.4018 ( 3518 PWs) bands (ev): -31.5104 -31.5104 -31.5008 -31.5008 -31.5008 -31.5008 -12.6524 -12.6524 -12.5885 -12.5885 -12.5730 -12.5730 -11.3851 -11.3851 -11.3410 -11.3410 -11.0933 -11.0933 -11.0790 -11.0790 -10.8791 -10.8791 -10.8495 -10.8495 -3.3290 -3.3290 -3.3275 -3.3275 -2.4878 -2.4878 -2.4693 -2.4693 -2.4678 -2.4678 2.6824 2.6824 5.8028 5.8028 7.4465 7.4465 7.4471 7.4471 7.4672 7.4672 9.7634 9.7634 10.0208 10.0208 10.0851 10.0851 12.2541 12.2541 12.2739 12.2739 12.3924 12.3924 12.5401 12.5401 12.5670 12.5670 k = 0.4107 0.4107 0.4107 ( 3521 PWs) bands (ev): -31.5093 -31.5093 -31.5013 -31.5013 -31.5013 -31.5013 -12.6548 -12.6548 -12.5883 -12.5883 -12.5759 -12.5759 -11.3884 -11.3884 -11.3435 -11.3435 -11.0904 -11.0904 -11.0786 -11.0786 -10.8728 -10.8728 -10.8482 -10.8482 -3.3291 -3.3291 -3.3278 -3.3278 -2.4882 -2.4882 -2.4693 -2.4693 -2.4680 -2.4680 2.7222 2.7222 5.7979 5.7979 7.4128 7.4128 7.4129 7.4129 7.4316 7.4316 9.8133 9.8133 10.0400 10.0400 10.1023 10.1023 12.2363 12.2363 12.2573 12.2573 12.3518 12.3518 12.5439 12.5439 12.5715 12.5715 k = 0.4196 0.4196 0.4196 ( 3524 PWs) bands (ev): -31.5083 -31.5083 -31.5018 -31.5018 -31.5018 -31.5018 -12.6571 -12.6571 -12.5881 -12.5881 -12.5784 -12.5784 -11.3914 -11.3914 -11.3457 -11.3457 -11.0877 -11.0877 -11.0783 -11.0783 -10.8669 -10.8669 -10.8470 -10.8470 -3.3291 -3.3291 -3.3281 -3.3281 -2.4886 -2.4886 -2.4693 -2.4693 -2.4682 -2.4682 2.7591 2.7591 5.7924 5.7924 7.3816 7.3816 7.3820 7.3820 7.3990 7.3990 9.8631 9.8631 10.0595 10.0595 10.1192 10.1192 12.2129 12.2129 12.2342 12.2342 12.3109 12.3109 12.5533 12.5533 12.5808 12.5808 k = 0.4286 0.4286 0.4286 ( 3518 PWs) bands (ev): -31.5074 -31.5074 -31.5022 -31.5022 -31.5022 -31.5022 -12.6593 -12.6593 -12.5880 -12.5880 -12.5805 -12.5805 -11.3943 -11.3943 -11.3476 -11.3476 -11.0853 -11.0853 -11.0779 -11.0779 -10.8616 -10.8616 -10.8458 -10.8458 -3.3292 -3.3292 -3.3283 -3.3283 -2.4890 -2.4890 -2.4692 -2.4692 -2.4684 -2.4684 2.7928 2.7928 5.7866 5.7866 7.3535 7.3535 7.3541 7.3541 7.3696 7.3696 9.9116 9.9116 10.0791 10.0791 10.1356 10.1356 12.1870 12.1870 12.2083 12.2083 12.2706 12.2706 12.5652 12.5652 12.5923 12.5923 k = 0.4375 0.4375 0.4375 ( 3518 PWs) bands (ev): -31.5066 -31.5066 -31.5026 -31.5026 -31.5026 -31.5026 -12.6614 -12.6614 -12.5879 -12.5879 -12.5823 -12.5823 -11.3968 -11.3968 -11.3492 -11.3492 -11.0832 -11.0832 -11.0776 -11.0776 -10.8568 -10.8568 -10.8447 -10.8447 -3.3293 -3.3293 -3.3286 -3.3286 -2.4893 -2.4893 -2.4692 -2.4692 -2.4685 -2.4685 2.8231 2.8231 5.7808 5.7808 7.3286 7.3286 7.3293 7.3293 7.3433 7.3433 9.9572 9.9572 10.0990 10.0990 10.1512 10.1512 12.1607 12.1607 12.1821 12.1821 12.2316 12.2316 12.5775 12.5775 12.6039 12.6039 k = 0.4464 0.4464 0.4464 ( 3512 PWs) bands (ev): -31.5059 -31.5059 -31.5029 -31.5029 -31.5029 -31.5029 -12.6633 -12.6633 -12.5879 -12.5879 -12.5838 -12.5838 -11.3991 -11.3991 -11.3507 -11.3507 -11.0813 -11.0813 -11.0773 -11.0773 -10.8526 -10.8526 -10.8437 -10.8437 -3.3293 -3.3293 -3.3288 -3.3288 -2.4896 -2.4896 -2.4692 -2.4692 -2.4687 -2.4687 2.8499 2.8499 5.7752 5.7752 7.3068 7.3068 7.3076 7.3076 7.3204 7.3204 9.9983 9.9983 10.1192 10.1192 10.1655 10.1655 12.1356 12.1356 12.1571 12.1571 12.1948 12.1948 12.5892 12.5892 12.6143 12.6143 k = 0.4554 0.4554 0.4554 ( 3514 PWs) bands (ev): -31.5052 -31.5052 -31.5032 -31.5032 -31.5032 -31.5032 -12.6650 -12.6650 -12.5878 -12.5878 -12.5851 -12.5851 -11.4010 -11.4010 -11.3518 -11.3518 -11.0798 -11.0798 -11.0770 -11.0770 -10.8490 -10.8490 -10.8428 -10.8428 -3.3294 -3.3294 -3.3290 -3.3290 -2.4898 -2.4898 -2.4692 -2.4692 -2.4688 -2.4688 2.8729 2.8729 5.7701 5.7701 7.2884 7.2884 7.2890 7.2890 7.3008 7.3008 10.0332 10.0332 10.1399 10.1399 10.1783 10.1783 12.1127 12.1127 12.1345 12.1345 12.1615 12.1615 12.5994 12.5994 12.6224 12.6224 k = 0.4643 0.4643 0.4643 ( 3514 PWs) bands (ev): -31.5048 -31.5048 -31.5035 -31.5035 -31.5035 -31.5035 -12.6664 -12.6664 -12.5878 -12.5878 -12.5861 -12.5861 -11.4026 -11.4026 -11.3528 -11.3528 -11.0785 -11.0785 -11.0767 -11.0767 -10.8460 -10.8460 -10.8421 -10.8421 -3.3294 -3.3294 -3.3292 -3.3292 -2.4901 -2.4901 -2.4691 -2.4691 -2.4689 -2.4689 2.8919 2.8919 5.7657 5.7657 7.2732 7.2732 7.2737 7.2737 7.2847 7.2847 10.0608 10.0608 10.1606 10.1606 10.1892 10.1892 12.0926 12.0926 12.1151 12.1151 12.1326 12.1326 12.6080 12.6080 12.6272 12.6272 k = 0.4732 0.4732 0.4732 ( 3520 PWs) bands (ev): -31.5044 -31.5044 -31.5037 -31.5037 -31.5037 -31.5037 -12.6676 -12.6676 -12.5878 -12.5878 -12.5868 -12.5868 -11.4039 -11.4039 -11.3535 -11.3535 -11.0775 -11.0775 -11.0765 -11.0765 -10.8437 -10.8437 -10.8415 -10.8415 -3.3295 -3.3295 -3.3293 -3.3293 -2.4902 -2.4902 -2.4691 -2.4691 -2.4690 -2.4690 2.9069 2.9069 5.7621 5.7621 7.2614 7.2614 7.2617 7.2617 7.2721 7.2721 10.0809 10.0809 10.1800 10.1800 10.1980 10.1980 12.0759 12.0759 12.0994 12.0994 12.1092 12.1092 12.6148 12.6148 12.6282 12.6282 k = 0.4821 0.4821 0.4821 ( 3526 PWs) bands (ev): -31.5041 -31.5041 -31.5038 -31.5038 -31.5038 -31.5038 -12.6684 -12.6684 -12.5878 -12.5878 -12.5874 -12.5874 -11.4048 -11.4048 -11.3540 -11.3540 -11.0768 -11.0768 -11.0764 -11.0764 -10.8420 -10.8420 -10.8410 -10.8410 -3.3295 -3.3295 -3.3294 -3.3294 -2.4904 -2.4904 -2.4691 -2.4691 -2.4691 -2.4691 2.9177 2.9177 5.7594 5.7594 7.2529 7.2529 7.2531 7.2531 7.2631 7.2631 10.0943 10.0943 10.1958 10.1958 10.2045 10.2045 12.0631 12.0631 12.0880 12.0880 12.0922 12.0922 12.6196 12.6196 12.6265 12.6265 k = 0.4911 0.4911 0.4911 ( 3544 PWs) bands (ev): -31.5040 -31.5040 -31.5039 -31.5039 -31.5039 -31.5039 -12.6689 -12.6689 -12.5878 -12.5878 -12.5877 -12.5877 -11.4053 -11.4053 -11.3543 -11.3543 -11.0764 -11.0764 -11.0763 -11.0763 -10.8410 -10.8410 -10.8408 -10.8408 -3.3295 -3.3295 -3.3295 -3.3295 -2.4904 -2.4904 -2.4691 -2.4691 -2.4691 -2.4691 2.9242 2.9242 5.7578 5.7578 7.2479 7.2479 7.2479 7.2479 7.2576 7.2576 10.1020 10.1020 10.2062 10.2062 10.2085 10.2085 12.0550 12.0550 12.0810 12.0810 12.0820 12.0820 12.6225 12.6225 12.6243 12.6243 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6691 -12.6691 -12.5878 -12.5878 -12.5878 -12.5878 -11.4055 -11.4055 -11.3544 -11.3544 -11.0763 -11.0763 -11.0763 -11.0763 -10.8407 -10.8407 -10.8407 -10.8407 -3.3295 -3.3295 -3.3295 -3.3295 -2.4905 -2.4905 -2.4691 -2.4691 -2.4691 -2.4691 2.9263 2.9263 5.7572 5.7572 7.2462 7.2462 7.2462 7.2462 7.2558 7.2558 10.1045 10.1045 10.2098 10.2098 10.2098 10.2098 12.0522 12.0522 12.0786 12.0786 12.0786 12.0786 12.6235 12.6235 12.6235 12.6235 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6691 -12.6691 -12.5878 -12.5878 -12.5878 -12.5878 -11.4055 -11.4055 -11.3544 -11.3544 -11.0763 -11.0763 -11.0763 -11.0763 -10.8407 -10.8407 -10.8407 -10.8407 -3.3295 -3.3295 -3.3295 -3.3295 -2.4905 -2.4905 -2.4691 -2.4691 -2.4691 -2.4691 2.9263 2.9263 5.7572 5.7572 7.2462 7.2462 7.2462 7.2462 7.2558 7.2558 10.1045 10.1045 10.2098 10.2098 10.2098 10.2098 12.0522 12.0522 12.0786 12.0786 12.0786 12.0786 12.6235 12.6235 12.6235 12.6235 k = 0.4891 0.5000 0.4891 ( 3544 PWs) bands (ev): -31.5040 -31.5040 -31.5039 -31.5039 -31.5039 -31.5039 -12.6689 -12.6689 -12.5878 -12.5878 -12.5877 -12.5877 -11.4053 -11.4053 -11.3543 -11.3543 -11.0764 -11.0764 -11.0763 -11.0763 -10.8410 -10.8410 -10.8408 -10.8408 -3.3295 -3.3295 -3.3295 -3.3295 -2.4904 -2.4904 -2.4691 -2.4691 -2.4691 -2.4691 2.9242 2.9242 5.7578 5.7578 7.2471 7.2471 7.2485 7.2485 7.2577 7.2577 10.1020 10.1020 10.2063 10.2063 10.2085 10.2085 12.0549 12.0549 12.0809 12.0809 12.0820 12.0820 12.6226 12.6226 12.6243 12.6243 k = 0.4783 0.5000 0.4783 ( 3528 PWs) bands (ev): -31.5041 -31.5041 -31.5039 -31.5039 -31.5038 -31.5038 -12.6684 -12.6684 -12.5878 -12.5878 -12.5874 -12.5874 -11.4048 -11.4048 -11.3540 -11.3540 -11.0768 -11.0768 -11.0764 -11.0764 -10.8420 -10.8420 -10.8411 -10.8411 -3.3295 -3.3295 -3.3294 -3.3294 -2.4904 -2.4904 -2.4691 -2.4691 -2.4691 -2.4691 2.9178 2.9178 5.7594 5.7594 7.2494 7.2494 7.2554 7.2554 7.2640 7.2640 10.0945 10.0945 10.1957 10.1957 10.2048 10.2048 12.0629 12.0629 12.0881 12.0881 12.0919 12.0919 12.6198 12.6198 12.6264 12.6264 k = 0.4674 0.5000 0.4674 ( 3516 PWs) bands (ev): -31.5043 -31.5043 -31.5039 -31.5039 -31.5035 -31.5035 -12.6676 -12.6676 -12.5877 -12.5877 -12.5869 -12.5869 -11.4039 -11.4039 -11.3535 -11.3535 -11.0775 -11.0775 -11.0766 -11.0766 -10.8436 -10.8436 -10.8415 -10.8415 -3.3295 -3.3295 -3.3293 -3.3293 -2.4902 -2.4902 -2.4691 -2.4691 -2.4690 -2.4690 2.9072 2.9072 5.7621 5.7621 7.2523 7.2523 7.2670 7.2670 7.2754 7.2754 10.0816 10.0816 10.1786 10.1786 10.1995 10.1995 12.0750 12.0750 12.1006 12.1006 12.1080 12.1080 12.6152 12.6152 12.6282 12.6282 k = 0.4565 0.5000 0.4565 ( 3516 PWs) bands (ev): -31.5045 -31.5045 -31.5039 -31.5039 -31.5033 -31.5033 -12.6664 -12.6664 -12.5877 -12.5877 -12.5862 -12.5862 -11.4026 -11.4026 -11.3528 -11.3528 -11.0784 -11.0784 -11.0768 -11.0768 -10.8459 -10.8459 -10.8421 -10.8421 -3.3294 -3.3294 -3.3292 -3.3292 -2.4901 -2.4901 -2.4691 -2.4691 -2.4689 -2.4689 2.8924 2.8924 5.7657 5.7657 7.2557 7.2557 7.2829 7.2829 7.2918 7.2918 10.0630 10.0630 10.1555 10.1555 10.1934 10.1934 12.0900 12.0900 12.1189 12.1189 12.1297 12.1297 12.6088 12.6088 12.6278 12.6278 k = 0.4457 0.5000 0.4457 ( 3508 PWs) bands (ev): -31.5049 -31.5049 -31.5039 -31.5039 -31.5029 -31.5029 -12.6650 -12.6650 -12.5877 -12.5877 -12.5853 -12.5853 -11.4010 -11.4010 -11.3519 -11.3519 -11.0796 -11.0796 -11.0771 -11.0771 -10.8487 -10.8487 -10.8430 -10.8430 -3.3294 -3.3294 -3.3291 -3.3291 -2.4899 -2.4899 -2.4691 -2.4691 -2.4688 -2.4688 2.8738 2.8738 5.7702 5.7702 7.2599 7.2599 7.3033 7.3033 7.3129 7.3129 10.0389 10.0389 10.1271 10.1271 10.1871 10.1871 12.1074 12.1074 12.1428 12.1428 12.1560 12.1560 12.6004 12.6004 12.6238 12.6238 k = 0.4348 0.5000 0.4348 ( 3506 PWs) bands (ev): -31.5053 -31.5053 -31.5039 -31.5039 -31.5025 -31.5025 -12.6633 -12.6633 -12.5876 -12.5876 -12.5842 -12.5842 -11.3991 -11.3991 -11.3507 -11.3507 -11.0811 -11.0811 -11.0775 -11.0775 -10.8522 -10.8522 -10.8439 -10.8439 -3.3293 -3.3293 -3.3289 -3.3289 -2.4896 -2.4896 -2.4692 -2.4692 -2.4687 -2.4687 2.8514 2.8514 5.7754 5.7754 7.2650 7.2650 7.3279 7.3279 7.3386 7.3386 10.0099 10.0099 10.0943 10.0943 10.1810 10.1810 12.1273 12.1273 12.1712 12.1712 12.1861 12.1861 12.5902 12.5902 12.6164 12.6164 k = 0.4239 0.5000 0.4239 ( 3516 PWs) bands (ev): -31.5059 -31.5059 -31.5039 -31.5039 -31.5020 -31.5020 -12.6614 -12.6614 -12.5875 -12.5875 -12.5829 -12.5829 -11.3969 -11.3969 -11.3493 -11.3493 -11.0828 -11.0828 -11.0779 -11.0779 -10.8562 -10.8562 -10.8451 -10.8451 -3.3292 -3.3292 -3.3287 -3.3287 -2.4893 -2.4893 -2.4692 -2.4692 -2.4685 -2.4685 2.8254 2.8254 5.7812 5.7812 7.2711 7.2711 7.3566 7.3566 7.3685 7.3685 9.9767 9.9767 10.0580 10.0580 10.1752 10.1752 12.1498 12.1498 12.2027 12.2027 12.2187 12.2187 12.5784 12.5784 12.6061 12.6061 k = 0.4130 0.5000 0.4130 ( 3520 PWs) bands (ev): -31.5065 -31.5065 -31.5039 -31.5039 -31.5014 -31.5014 -12.6592 -12.6592 -12.5875 -12.5875 -12.5813 -12.5813 -11.3943 -11.3943 -11.3477 -11.3477 -11.0847 -11.0847 -11.0784 -11.0784 -10.8608 -10.8608 -10.8464 -10.8464 -3.3291 -3.3291 -3.3284 -3.3284 -2.4890 -2.4890 -2.4692 -2.4692 -2.4684 -2.4684 2.7961 2.7961 5.7875 5.7875 7.2783 7.2783 7.3892 7.3892 7.4025 7.4025 9.9402 9.9402 10.0192 10.0192 10.1696 10.1696 12.1749 12.1749 12.2361 12.2361 12.2529 12.2529 12.5650 12.5650 12.5935 12.5935 k = 0.4022 0.5000 0.4022 ( 3518 PWs) bands (ev): -31.5072 -31.5072 -31.5039 -31.5039 -31.5008 -31.5008 -12.6569 -12.6569 -12.5874 -12.5874 -12.5795 -12.5795 -11.3915 -11.3915 -11.3459 -11.3459 -11.0869 -11.0869 -11.0789 -11.0789 -10.8658 -10.8658 -10.8478 -10.8478 -3.3290 -3.3290 -3.3282 -3.3282 -2.4886 -2.4886 -2.4692 -2.4692 -2.4682 -2.4682 2.7638 2.7638 5.7939 5.7939 7.2868 7.2868 7.4252 7.4252 7.4405 7.4405 9.9012 9.9012 9.9787 9.9787 10.1643 10.1643 12.2027 12.2027 12.2701 12.2701 12.2874 12.2874 12.5505 12.5505 12.5792 12.5792 k = 0.3913 0.5000 0.3913 ( 3514 PWs) bands (ev): -31.5079 -31.5079 -31.5039 -31.5039 -31.5000 -31.5000 -12.6545 -12.6545 -12.5872 -12.5872 -12.5775 -12.5775 -11.3884 -11.3884 -11.3438 -11.3438 -11.0893 -11.0893 -11.0795 -11.0795 -10.8713 -10.8713 -10.8494 -10.8494 -3.3289 -3.3289 -3.3279 -3.3279 -2.4882 -2.4882 -2.4693 -2.4693 -2.4680 -2.4680 2.7288 2.7288 5.8003 5.8003 7.2966 7.2966 7.4644 7.4644 7.4825 7.4825 9.8603 9.8603 9.9377 9.9377 10.1591 10.1591 12.2329 12.2329 12.3027 12.3027 12.3211 12.3211 12.5349 12.5349 12.5643 12.5643 k = 0.3804 0.5000 0.3804 ( 3510 PWs) bands (ev): -31.5087 -31.5087 -31.5040 -31.5040 -31.4993 -31.4993 -12.6520 -12.6520 -12.5871 -12.5871 -12.5752 -12.5752 -11.3850 -11.3850 -11.3414 -11.3414 -11.0920 -11.0920 -11.0802 -11.0802 -10.8772 -10.8772 -10.8511 -10.8511 -3.3288 -3.3288 -3.3276 -3.3276 -2.4878 -2.4878 -2.4693 -2.4693 -2.4678 -2.4678 2.6912 2.6912 5.8064 5.8064 7.3078 7.3078 7.5061 7.5061 7.5284 7.5284 9.8178 9.8178 9.8973 9.8973 10.1541 10.1541 12.2653 12.2653 12.3310 12.3310 12.3534 12.3534 12.5175 12.5175 12.5516 12.5516 k = 0.3696 0.5000 0.3696 ( 3510 PWs) bands (ev): -31.5095 -31.5095 -31.5040 -31.5040 -31.4984 -31.4984 -12.6495 -12.6495 -12.5869 -12.5869 -12.5727 -12.5727 -11.3815 -11.3815 -11.3388 -11.3388 -11.0948 -11.0948 -11.0809 -11.0809 -10.8835 -10.8835 -10.8529 -10.8529 -3.3287 -3.3287 -3.3273 -3.3273 -2.4874 -2.4874 -2.4694 -2.4694 -2.4676 -2.4676 2.6514 2.6514 5.8120 5.8120 7.3207 7.3207 7.5499 7.5499 7.5781 7.5781 9.7740 9.7740 9.8586 9.8586 10.1493 10.1493 12.2994 12.2994 12.3506 12.3506 12.3847 12.3847 12.4969 12.4969 12.5458 12.5458 k = 0.3587 0.5000 0.3587 ( 3526 PWs) bands (ev): -31.5105 -31.5105 -31.5040 -31.5040 -31.4976 -31.4976 -12.6471 -12.6471 -12.5866 -12.5866 -12.5699 -12.5699 -11.3778 -11.3778 -11.3359 -11.3359 -11.0979 -11.0979 -11.0817 -11.0817 -10.8901 -10.8901 -10.8549 -10.8549 -3.3286 -3.3286 -3.3270 -3.3270 -2.4869 -2.4869 -2.4694 -2.4694 -2.4674 -2.4674 2.6097 2.6097 5.8168 5.8168 7.3354 7.3354 7.5954 7.5954 7.6316 7.6316 9.7290 9.7290 9.8226 9.8226 10.1447 10.1447 12.3320 12.3320 12.3603 12.3603 12.4152 12.4152 12.4725 12.4725 12.5502 12.5502 k = 0.3478 0.5000 0.3478 ( 3518 PWs) bands (ev): -31.5115 -31.5115 -31.5040 -31.5040 -31.4966 -31.4966 -12.6447 -12.6447 -12.5863 -12.5863 -12.5669 -12.5669 -11.3739 -11.3739 -11.3327 -11.3327 -11.1011 -11.1011 -11.0825 -11.0825 -10.8970 -10.8970 -10.8569 -10.8569 -3.3285 -3.3285 -3.3267 -3.3267 -2.4864 -2.4864 -2.4695 -2.4695 -2.4672 -2.4672 2.5664 2.5664 5.8206 5.8206 7.3520 7.3520 7.6421 7.6421 7.6888 7.6888 9.6833 9.6833 9.7900 9.7900 10.1404 10.1404 12.3412 12.3412 12.3810 12.3810 12.4410 12.4410 12.4489 12.4489 12.5639 12.5639 k = 0.3370 0.5000 0.3370 ( 3522 PWs) bands (ev): -31.5125 -31.5125 -31.5040 -31.5040 -31.4956 -31.4956 -12.6425 -12.6425 -12.5860 -12.5860 -12.5636 -12.5636 -11.3700 -11.3700 -11.3292 -11.3292 -11.1044 -11.1044 -11.0834 -11.0834 -10.9041 -10.9041 -10.8590 -10.8590 -3.3283 -3.3283 -3.3264 -3.3264 -2.4860 -2.4860 -2.4695 -2.4695 -2.4670 -2.4670 2.5216 2.5216 5.8231 5.8231 7.3707 7.3707 7.6894 7.6894 7.7494 7.7494 9.6373 9.6373 9.7613 9.7613 10.1364 10.1364 12.3260 12.3260 12.4008 12.4008 12.4311 12.4311 12.4730 12.4730 12.5829 12.5829 k = 0.3261 0.5000 0.3261 ( 3520 PWs) bands (ev): -31.5135 -31.5135 -31.5041 -31.5041 -31.4946 -31.4946 -12.6404 -12.6404 -12.5855 -12.5855 -12.5601 -12.5601 -11.3660 -11.3660 -11.3253 -11.3253 -11.1079 -11.1079 -11.0843 -11.0843 -10.9114 -10.9114 -10.8612 -10.8612 -3.3282 -3.3282 -3.3261 -3.3261 -2.4855 -2.4855 -2.4696 -2.4696 -2.4668 -2.4668 2.4758 2.4758 5.8242 5.8242 7.3917 7.3917 7.7370 7.7370 7.8132 7.8132 9.5916 9.5916 9.7367 9.7367 10.1327 10.1327 12.3019 12.3019 12.3732 12.3732 12.4648 12.4648 12.4998 12.4998 12.6037 12.6037 k = 0.3152 0.5000 0.3152 ( 3524 PWs) bands (ev): -31.5146 -31.5146 -31.5041 -31.5041 -31.4936 -31.4936 -12.6386 -12.6386 -12.5850 -12.5850 -12.5563 -12.5563 -11.3620 -11.3620 -11.3212 -11.3212 -11.1114 -11.1114 -11.0853 -11.0853 -10.9189 -10.9189 -10.8634 -10.8634 -3.3281 -3.3281 -3.3259 -3.3259 -2.4850 -2.4850 -2.4697 -2.4697 -2.4666 -2.4666 2.4291 2.4291 5.8235 5.8235 7.4151 7.4151 7.7843 7.7843 7.8800 7.8800 9.5469 9.5469 9.7164 9.7164 10.1295 10.1295 12.2723 12.2723 12.3373 12.3373 12.5022 12.5022 12.5285 12.5285 12.6236 12.6236 k = 0.3043 0.5000 0.3043 ( 3516 PWs) bands (ev): -31.5157 -31.5157 -31.5041 -31.5041 -31.4925 -31.4925 -12.6370 -12.6370 -12.5843 -12.5843 -12.5524 -12.5524 -11.3579 -11.3579 -11.3168 -11.3168 -11.1151 -11.1151 -11.0863 -11.0863 -10.9265 -10.9265 -10.8657 -10.8657 -3.3280 -3.3280 -3.3256 -3.3256 -2.4845 -2.4845 -2.4698 -2.4698 -2.4665 -2.4665 2.3818 2.3818 5.8209 5.8209 7.4410 7.4410 7.8308 7.8308 7.9497 7.9497 9.5038 9.5038 9.7005 9.7005 10.1267 10.1267 12.2383 12.2383 12.2987 12.2987 12.5308 12.5308 12.5661 12.5661 12.6415 12.6415 k = 0.2935 0.5000 0.2935 ( 3524 PWs) bands (ev): -31.5169 -31.5169 -31.5041 -31.5041 -31.4914 -31.4914 -12.6356 -12.6356 -12.5836 -12.5836 -12.5482 -12.5482 -11.3539 -11.3539 -11.3121 -11.3121 -11.1187 -11.1187 -11.0874 -11.0874 -10.9342 -10.9342 -10.8679 -10.8679 -3.3279 -3.3279 -3.3254 -3.3254 -2.4841 -2.4841 -2.4699 -2.4699 -2.4663 -2.4663 2.3341 2.3341 5.8165 5.8165 7.4695 7.4695 7.8759 7.8759 8.0220 8.0220 9.4630 9.4630 9.6889 9.6889 10.1244 10.1244 12.2008 12.2008 12.2583 12.2583 12.5515 12.5515 12.6111 12.6111 12.6565 12.6565 k = 0.2826 0.5000 0.2826 ( 3524 PWs) bands (ev): -31.5181 -31.5181 -31.5041 -31.5041 -31.4902 -31.4902 -12.6346 -12.6346 -12.5828 -12.5828 -12.5439 -12.5439 -11.3500 -11.3500 -11.3071 -11.3071 -11.1223 -11.1223 -11.0885 -11.0885 -10.9419 -10.9419 -10.8702 -10.8702 -3.3278 -3.3278 -3.3251 -3.3251 -2.4836 -2.4836 -2.4701 -2.4701 -2.4662 -2.4662 2.2863 2.2863 5.8100 5.8100 7.5006 7.5006 7.9190 7.9190 8.0965 8.0965 9.4250 9.4250 9.6818 9.6818 10.1226 10.1226 12.1598 12.1598 12.2165 12.2165 12.5684 12.5684 12.6593 12.6593 12.6685 12.6685 k = 0.2717 0.5000 0.2717 ( 3512 PWs) bands (ev): -31.5192 -31.5192 -31.5041 -31.5041 -31.4891 -31.4891 -12.6338 -12.6338 -12.5818 -12.5818 -12.5395 -12.5395 -11.3461 -11.3461 -11.3019 -11.3019 -11.1259 -11.1259 -11.0897 -11.0897 -10.9496 -10.9496 -10.8724 -10.8724 -3.3276 -3.3276 -3.3249 -3.3249 -2.4832 -2.4832 -2.4702 -2.4702 -2.4661 -2.4661 2.2386 2.2386 5.8015 5.8015 7.5344 7.5344 7.9594 7.9594 8.1732 8.1732 9.3905 9.3905 9.6789 9.6789 10.1213 10.1213 12.1158 12.1158 12.1737 12.1737 12.5828 12.5828 12.6771 12.6771 12.7097 12.7097 k = 0.2609 0.5000 0.2609 ( 3516 PWs) bands (ev): -31.5204 -31.5204 -31.5042 -31.5042 -31.4880 -31.4880 -12.6334 -12.6334 -12.5808 -12.5808 -12.5350 -12.5350 -11.3423 -11.3423 -11.2966 -11.2966 -11.1293 -11.1293 -11.0909 -11.0909 -10.9573 -10.9573 -10.8746 -10.8746 -3.3276 -3.3276 -3.3247 -3.3247 -2.4827 -2.4827 -2.4703 -2.4703 -2.4660 -2.4660 2.1911 2.1911 5.7912 5.7912 7.5707 7.5707 7.9967 7.9967 8.2516 8.2516 9.3602 9.3602 9.6802 9.6802 10.1206 10.1206 12.0688 12.0688 12.1301 12.1301 12.5951 12.5951 12.6831 12.6831 12.7616 12.7616 k = 0.2500 0.5000 0.2500 ( 3516 PWs) bands (ev): -31.5216 -31.5216 -31.5042 -31.5042 -31.4868 -31.4868 -12.6332 -12.6332 -12.5796 -12.5796 -12.5305 -12.5305 -11.3386 -11.3386 -11.2911 -11.2911 -11.1326 -11.1326 -11.0922 -11.0922 -10.9650 -10.9650 -10.8767 -10.8767 -3.3275 -3.3275 -3.3246 -3.3246 -2.4823 -2.4823 -2.4705 -2.4705 -2.4660 -2.4660 2.1441 2.1441 5.7789 5.7789 7.6094 7.6094 8.0300 8.0300 8.3316 8.3316 9.3347 9.3347 9.6855 9.6855 10.1205 10.1205 12.0190 12.0190 12.0862 12.0862 12.6057 12.6057 12.6867 12.6867 12.8150 12.8150 k = 0.2391 0.5000 0.2391 ( 3512 PWs) bands (ev): -31.5228 -31.5228 -31.5042 -31.5042 -31.4856 -31.4856 -12.6332 -12.6332 -12.5784 -12.5784 -12.5259 -12.5259 -11.3350 -11.3350 -11.2855 -11.2855 -11.1357 -11.1357 -11.0935 -11.0935 -10.9726 -10.9726 -10.8788 -10.8788 -3.3274 -3.3274 -3.3244 -3.3244 -2.4819 -2.4819 -2.4707 -2.4707 -2.4660 -2.4660 2.0978 2.0978 5.7650 5.7650 7.6503 7.6503 8.0589 8.0589 8.4127 8.4127 9.3146 9.3146 9.6946 9.6946 10.1209 10.1209 11.9667 11.9667 12.0422 12.0422 12.6148 12.6148 12.6883 12.6883 12.8697 12.8697 k = 0.2283 0.5000 0.2283 ( 3512 PWs) bands (ev): -31.5240 -31.5240 -31.5042 -31.5042 -31.4844 -31.4844 -12.6335 -12.6335 -12.5770 -12.5770 -12.5214 -12.5214 -11.3316 -11.3316 -11.2799 -11.2799 -11.1385 -11.1385 -11.0948 -11.0948 -10.9801 -10.9801 -10.8807 -10.8807 -3.3274 -3.3274 -3.3243 -3.3243 -2.4815 -2.4815 -2.4708 -2.4708 -2.4660 -2.4660 2.0523 2.0523 5.7497 5.7497 7.6933 7.6933 8.0828 8.0828 8.4948 8.4948 9.3004 9.3004 9.7072 9.7072 10.1220 10.1220 11.9121 11.9121 11.9985 11.9985 12.6226 12.6226 12.6885 12.6885 12.9258 12.9258 k = 0.2174 0.5000 0.2174 ( 3512 PWs) bands (ev): -31.5252 -31.5252 -31.5043 -31.5043 -31.4833 -31.4833 -12.6340 -12.6340 -12.5757 -12.5757 -12.5169 -12.5169 -11.3283 -11.3283 -11.2743 -11.2743 -11.1410 -11.1410 -11.0963 -11.0963 -10.9875 -10.9875 -10.8825 -10.8825 -3.3273 -3.3273 -3.3242 -3.3242 -2.4812 -2.4812 -2.4710 -2.4710 -2.4660 -2.4660 2.0079 2.0079 5.7330 5.7330 7.7381 7.7381 8.1015 8.1015 8.5774 8.5774 9.2923 9.2923 9.7232 9.7232 10.1236 10.1236 11.8556 11.8556 11.9554 11.9554 12.6292 12.6292 12.6879 12.6879 12.9830 12.9830 k = 0.2065 0.5000 0.2065 ( 3512 PWs) bands (ev): -31.5264 -31.5264 -31.5043 -31.5043 -31.4821 -31.4821 -12.6347 -12.6347 -12.5743 -12.5743 -12.5125 -12.5125 -11.3252 -11.3252 -11.2687 -11.2687 -11.1432 -11.1432 -11.0977 -11.0977 -10.9948 -10.9948 -10.8841 -10.8841 -3.3273 -3.3273 -3.3241 -3.3241 -2.4808 -2.4808 -2.4713 -2.4713 -2.4660 -2.4660 1.9646 1.9646 5.7153 5.7153 7.7843 7.7843 8.1148 8.1148 8.6601 8.6601 9.2906 9.2906 9.7422 9.7422 10.1257 10.1257 11.7974 11.7974 11.9130 11.9130 12.6346 12.6346 12.6873 12.6873 13.0414 13.0414 k = 0.1957 0.5000 0.1957 ( 3510 PWs) bands (ev): -31.5275 -31.5275 -31.5043 -31.5043 -31.4810 -31.4810 -12.6356 -12.6356 -12.5728 -12.5728 -12.5082 -12.5082 -11.3223 -11.3223 -11.2632 -11.2632 -11.1449 -11.1449 -11.0993 -11.0993 -11.0020 -11.0020 -10.8856 -10.8856 -3.3273 -3.3273 -3.3240 -3.3240 -2.4805 -2.4805 -2.4715 -2.4715 -2.4660 -2.4660 1.9226 1.9226 5.6968 5.6968 7.8317 7.8317 8.1228 8.1228 8.7427 8.7427 9.2951 9.2951 9.7638 9.7638 10.1284 10.1284 11.7380 11.7380 11.8716 11.8716 12.6385 12.6385 12.6876 12.6876 13.1008 13.1008 k = 0.1848 0.5000 0.1848 ( 3506 PWs) bands (ev): -31.5287 -31.5287 -31.5043 -31.5043 -31.4799 -31.4799 -12.6366 -12.6366 -12.5714 -12.5714 -12.5040 -12.5040 -11.3196 -11.3196 -11.2578 -11.2578 -11.1463 -11.1463 -11.1009 -11.1009 -11.0091 -11.0091 -10.8870 -10.8870 -3.3274 -3.3274 -3.3239 -3.3239 -2.4802 -2.4802 -2.4717 -2.4717 -2.4661 -2.4661 1.8820 1.8820 5.6777 5.6777 7.8799 7.8799 8.1257 8.1257 8.8247 8.8247 9.3055 9.3055 9.7877 9.7877 10.1316 10.1316 11.6777 11.6777 11.8316 11.8316 12.6406 12.6406 12.6897 12.6897 13.1611 13.1611 k = 0.1739 0.5000 0.1739 ( 3506 PWs) bands (ev): -31.5298 -31.5298 -31.5043 -31.5043 -31.4789 -31.4789 -12.6377 -12.6377 -12.5699 -12.5699 -12.5000 -12.5000 -11.3172 -11.3172 -11.2525 -11.2525 -11.1473 -11.1473 -11.1025 -11.1025 -11.0160 -11.0160 -10.8881 -10.8881 -3.3274 -3.3274 -3.3238 -3.3238 -2.4800 -2.4800 -2.4719 -2.4719 -2.4662 -2.4662 1.8431 1.8431 5.6584 5.6584 7.9285 7.9285 8.1242 8.1242 8.9057 8.9057 9.3213 9.3213 9.8134 9.8134 10.1353 10.1353 11.6171 11.6171 11.7929 11.7929 12.6406 12.6406 12.6944 12.6944 13.2221 13.2221 k = 0.1630 0.5000 0.1630 ( 3518 PWs) bands (ev): -31.5308 -31.5308 -31.5044 -31.5044 -31.4779 -31.4779 -12.6389 -12.6389 -12.5685 -12.5685 -12.4962 -12.4962 -11.3150 -11.3150 -11.2472 -11.2472 -11.1478 -11.1478 -11.1042 -11.1042 -11.0228 -11.0228 -10.8891 -10.8891 -3.3275 -3.3275 -3.3238 -3.3238 -2.4798 -2.4798 -2.4721 -2.4721 -2.4662 -2.4662 1.8058 1.8058 5.6389 5.6389 7.9770 7.9770 8.1189 8.1189 8.9852 8.9852 9.3419 9.3419 9.8406 9.8406 10.1394 10.1394 11.5564 11.5564 11.7560 11.7560 12.6389 12.6389 12.7019 12.7019 13.2837 13.2837 k = 0.1522 0.5000 0.1522 ( 3508 PWs) bands (ev): -31.5318 -31.5318 -31.5044 -31.5044 -31.4769 -31.4769 -12.6402 -12.6402 -12.5671 -12.5671 -12.4926 -12.4926 -11.3131 -11.3131 -11.2421 -11.2421 -11.1480 -11.1480 -11.1060 -11.1060 -11.0294 -11.0294 -10.8899 -10.8899 -3.3276 -3.3276 -3.3237 -3.3237 -2.4796 -2.4796 -2.4723 -2.4723 -2.4663 -2.4663 1.7704 1.7704 5.6197 5.6197 8.0248 8.0248 8.1107 8.1107 9.0628 9.0628 9.3666 9.3666 9.8687 9.8687 10.1441 10.1441 11.4962 11.4962 11.7208 11.7208 12.6359 12.6359 12.7123 12.7123 13.3456 13.3456 k = 0.1413 0.5000 0.1413 ( 3512 PWs) bands (ev): -31.5328 -31.5328 -31.5044 -31.5044 -31.4759 -31.4759 -12.6414 -12.6414 -12.5658 -12.5658 -12.4892 -12.4892 -11.3115 -11.3115 -11.2370 -11.2370 -11.1478 -11.1478 -11.1077 -11.1077 -11.0358 -11.0358 -10.8905 -10.8905 -3.3277 -3.3277 -3.3237 -3.3237 -2.4795 -2.4795 -2.4725 -2.4725 -2.4664 -2.4664 1.7370 1.7370 5.6008 5.6008 8.0704 8.0704 8.1016 8.1016 9.1379 9.1379 9.3945 9.3945 9.8971 9.8971 10.1491 10.1491 11.4368 11.4368 11.6876 11.6876 12.6321 12.6321 12.7254 12.7254 13.4075 13.4075 k = 0.1304 0.5000 0.1304 ( 3506 PWs) bands (ev): -31.5336 -31.5336 -31.5044 -31.5044 -31.4751 -31.4751 -12.6427 -12.6427 -12.5645 -12.5645 -12.4860 -12.4860 -11.3102 -11.3102 -11.2319 -11.2319 -11.1475 -11.1475 -11.1095 -11.1095 -11.0421 -11.0421 -10.8910 -10.8910 -3.3278 -3.3278 -3.3236 -3.3236 -2.4793 -2.4793 -2.4727 -2.4727 -2.4665 -2.4665 1.7056 1.7056 5.5825 5.5825 8.0838 8.0838 8.1216 8.1216 9.2101 9.2101 9.4250 9.4250 9.9255 9.9255 10.1547 10.1547 11.3787 11.3787 11.6565 11.6565 12.6278 12.6278 12.7413 12.7413 13.4689 13.4689 k = 0.1196 0.5000 0.1196 ( 3506 PWs) bands (ev): -31.5345 -31.5345 -31.5044 -31.5044 -31.4742 -31.4742 -12.6440 -12.6440 -12.5632 -12.5632 -12.4831 -12.4831 -11.3092 -11.3092 -11.2269 -11.2269 -11.1470 -11.1470 -11.1112 -11.1112 -11.0481 -11.0481 -10.8913 -10.8913 -3.3279 -3.3279 -3.3236 -3.3236 -2.4793 -2.4793 -2.4729 -2.4729 -2.4665 -2.4665 1.6764 1.6764 5.5650 5.5650 8.0714 8.0714 8.1647 8.1647 9.2787 9.2787 9.4573 9.4573 9.9532 9.9532 10.1607 10.1607 11.3223 11.3223 11.6276 11.6276 12.6234 12.6234 12.7601 12.7601 13.5296 13.5296 k = 0.1087 0.5000 0.1087 ( 3514 PWs) bands (ev): -31.5353 -31.5353 -31.5044 -31.5044 -31.4735 -31.4735 -12.6453 -12.6453 -12.5621 -12.5621 -12.4803 -12.4803 -11.3084 -11.3084 -11.2219 -11.2219 -11.1465 -11.1465 -11.1127 -11.1127 -11.0540 -11.0540 -10.8914 -10.8914 -3.3280 -3.3280 -3.3235 -3.3235 -2.4792 -2.4792 -2.4731 -2.4731 -2.4666 -2.4666 1.6493 1.6493 5.5485 5.5485 8.0575 8.0575 8.2068 8.2068 9.3431 9.3431 9.4909 9.4909 9.9795 9.9795 10.1673 10.1673 11.2681 11.2681 11.6010 11.6010 12.6188 12.6188 12.7817 12.7817 13.5888 13.5888 k = 0.0978 0.5000 0.0978 ( 3530 PWs) bands (ev): -31.5361 -31.5361 -31.5045 -31.5045 -31.4728 -31.4728 -12.6465 -12.6465 -12.5610 -12.5610 -12.4779 -12.4779 -11.3078 -11.3078 -11.2169 -11.2169 -11.1461 -11.1461 -11.1140 -11.1140 -11.0597 -11.0597 -10.8914 -10.8914 -3.3282 -3.3282 -3.3235 -3.3235 -2.4792 -2.4792 -2.4732 -2.4732 -2.4667 -2.4667 1.6246 1.6246 5.5331 5.5331 8.0434 8.0434 8.2465 8.2465 9.4027 9.4027 9.5251 9.5251 10.0041 10.0041 10.1744 10.1744 11.2165 11.2165 11.5767 11.5767 12.6144 12.6144 12.8063 12.8063 13.6459 13.6459 k = 0.0870 0.5000 0.0870 ( 3516 PWs) bands (ev): -31.5367 -31.5367 -31.5045 -31.5045 -31.4721 -31.4721 -12.6476 -12.6476 -12.5600 -12.5600 -12.4757 -12.4757 -11.3074 -11.3074 -11.2118 -11.2118 -11.1462 -11.1462 -11.1149 -11.1149 -11.0651 -11.0651 -10.8913 -10.8913 -3.3283 -3.3283 -3.3234 -3.3234 -2.4792 -2.4792 -2.4733 -2.4733 -2.4668 -2.4668 1.6024 1.6024 5.5189 5.5189 8.0297 8.0297 8.2834 8.2834 9.4568 9.4568 9.5595 9.5595 10.0263 10.0263 10.1820 10.1820 11.1680 11.1680 11.5549 11.5549 12.6102 12.6102 12.8336 12.8336 13.7002 13.7002 k = 0.0761 0.5000 0.0761 ( 3512 PWs) bands (ev): -31.5373 -31.5373 -31.5045 -31.5045 -31.4715 -31.4715 -12.6487 -12.6487 -12.5591 -12.5591 -12.4737 -12.4737 -11.3072 -11.3072 -11.2069 -11.2069 -11.1467 -11.1467 -11.1152 -11.1152 -11.0702 -11.0702 -10.8912 -10.8912 -3.3284 -3.3284 -3.3234 -3.3234 -2.4793 -2.4793 -2.4734 -2.4734 -2.4668 -2.4668 1.5825 1.5825 5.5062 5.5062 8.0168 8.0168 8.3169 8.3169 9.5048 9.5048 9.5934 9.5934 10.0457 10.0457 10.1901 10.1901 11.1231 11.1231 11.5356 11.5356 12.6063 12.6063 12.8632 12.8632 13.7507 13.7507 k = 0.0652 0.5000 0.0652 ( 3516 PWs) bands (ev): -31.5378 -31.5378 -31.5045 -31.5045 -31.4710 -31.4710 -12.6496 -12.6496 -12.5583 -12.5583 -12.4720 -12.4720 -11.3070 -11.3070 -11.2019 -11.2019 -11.1478 -11.1478 -11.1150 -11.1150 -11.0752 -11.0752 -10.8910 -10.8910 -3.3286 -3.3286 -3.3234 -3.3234 -2.4793 -2.4793 -2.4735 -2.4735 -2.4669 -2.4669 1.5652 1.5652 5.4949 5.4949 8.0051 8.0051 8.3469 8.3469 9.5462 9.5462 9.6261 9.6261 10.0621 10.0621 10.1985 10.1985 11.0824 11.0824 11.5188 11.5188 12.6027 12.6027 12.8945 12.8945 13.7955 13.7955 k = 0.0543 0.5000 0.0543 ( 3522 PWs) bands (ev): -31.5383 -31.5383 -31.5045 -31.5045 -31.4706 -31.4706 -12.6504 -12.6504 -12.5576 -12.5576 -12.4706 -12.4706 -11.3069 -11.3069 -11.1971 -11.1971 -11.1495 -11.1495 -11.1142 -11.1142 -11.0798 -11.0798 -10.8907 -10.8907 -3.3287 -3.3287 -3.3233 -3.3233 -2.4794 -2.4794 -2.4735 -2.4735 -2.4669 -2.4669 1.5505 1.5505 5.4852 5.4852 7.9947 7.9947 8.3728 8.3728 9.5811 9.5811 9.6564 9.6564 10.0754 10.0754 10.2069 10.2069 11.0465 11.0465 11.5045 11.5045 12.5996 12.5996 12.9265 12.9265 13.7858 13.7858 k = 0.0435 0.5000 0.0435 ( 3530 PWs) bands (ev): -31.5387 -31.5387 -31.5045 -31.5045 -31.4702 -31.4702 -12.6511 -12.6511 -12.5571 -12.5571 -12.4694 -12.4694 -11.3069 -11.3069 -11.1925 -11.1925 -11.1517 -11.1517 -11.1129 -11.1129 -11.0841 -11.0841 -10.8905 -10.8905 -3.3288 -3.3288 -3.3233 -3.3233 -2.4795 -2.4795 -2.4736 -2.4736 -2.4670 -2.4670 1.5384 1.5384 5.4771 5.4771 7.9860 7.9860 8.3944 8.3944 9.6095 9.6095 9.6833 9.6833 10.0857 10.0857 10.2147 10.2147 11.0160 11.0160 11.4928 11.4928 12.5969 12.5969 12.9577 12.9577 13.7675 13.7675 k = 0.0326 0.5000 0.0326 ( 3530 PWs) bands (ev): -31.5390 -31.5390 -31.5045 -31.5045 -31.4700 -31.4700 -12.6517 -12.6517 -12.5567 -12.5567 -12.4685 -12.4685 -11.3070 -11.3070 -11.1881 -11.1881 -11.1542 -11.1542 -11.1112 -11.1112 -11.0880 -11.0880 -10.8903 -10.8903 -3.3289 -3.3289 -3.3233 -3.3233 -2.4795 -2.4795 -2.4736 -2.4736 -2.4670 -2.4670 1.5289 1.5289 5.4708 5.4708 7.9791 7.9791 8.4115 8.4115 9.6315 9.6315 9.7054 9.7054 10.0934 10.0934 10.2214 10.2214 10.9915 10.9915 11.4837 11.4837 12.5948 12.5948 12.9859 12.9859 13.7519 13.7519 k = 0.0217 0.5000 0.0217 ( 3530 PWs) bands (ev): -31.5392 -31.5392 -31.5045 -31.5045 -31.4698 -31.4698 -12.6521 -12.6521 -12.5563 -12.5563 -12.4678 -12.4678 -11.3070 -11.3070 -11.1844 -11.1844 -11.1568 -11.1568 -11.1093 -11.1093 -11.0913 -11.0913 -10.8902 -10.8902 -3.3289 -3.3289 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5221 1.5221 5.4663 5.4663 7.9740 7.9740 8.4239 8.4239 9.6473 9.6473 9.7219 9.7219 10.0986 10.0986 10.2266 10.2266 10.9736 10.9736 11.4772 11.4772 12.5932 12.5932 13.0089 13.0089 13.7398 13.7398 k = 0.0109 0.5000 0.0109 ( 3518 PWs) bands (ev): -31.5393 -31.5393 -31.5045 -31.5045 -31.4696 -31.4696 -12.6523 -12.6523 -12.5561 -12.5561 -12.4674 -12.4674 -11.3070 -11.3070 -11.1816 -11.1816 -11.1588 -11.1588 -11.1077 -11.1077 -11.0938 -11.0938 -10.8901 -10.8901 -3.3289 -3.3289 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5181 1.5181 5.4635 5.4635 7.9709 7.9709 8.4314 8.4314 9.6568 9.6568 9.7321 9.7321 10.1017 10.1017 10.2299 10.2299 10.9626 10.9626 11.4733 11.4733 12.5923 12.5923 13.0241 13.0241 13.7319 13.7319 k = 0.0000 0.5000-0.0000 ( 3514 PWs) bands (ev): -31.5393 -31.5393 -31.5045 -31.5045 -31.4695 -31.4695 -12.6524 -12.6524 -12.5561 -12.5561 -12.4673 -12.4673 -11.3070 -11.3070 -11.1806 -11.1806 -11.1596 -11.1596 -11.1070 -11.1070 -11.0948 -11.0948 -10.8900 -10.8900 -3.3290 -3.3290 -3.3233 -3.3233 -2.4796 -2.4796 -2.4736 -2.4736 -2.4670 -2.4670 1.5167 1.5167 5.4626 5.4626 7.9699 7.9699 8.4339 8.4339 9.6600 9.6600 9.7355 9.7355 10.1027 10.1027 10.2310 10.2310 10.9589 10.9589 11.4719 11.4719 12.5920 12.5920 13.0294 13.0294 13.7292 13.7292 k = 0.5000 0.5000-0.0000 ( 3532 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5933 -12.5933 -12.5767 -12.5767 -12.5551 -12.5551 -11.2864 -11.2864 -11.2856 -11.2856 -11.1727 -11.1727 -11.0838 -11.0838 -11.0163 -11.0163 -10.8822 -10.8822 -3.3246 -3.3246 -3.3239 -3.3239 -2.4808 -2.4808 -2.4694 -2.4694 -2.4627 -2.4627 2.2119 2.2119 6.0116 6.0116 7.3988 7.3988 7.4035 7.4035 9.1377 9.1377 9.3676 9.3676 9.4313 9.4313 9.9324 9.9324 12.3081 12.3081 12.3311 12.3311 12.4537 12.4537 12.5046 12.5046 12.6029 12.6029 k = 0.5000 0.5000 0.0152 ( 3532 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5934 -12.5934 -12.5767 -12.5767 -12.5552 -12.5552 -11.2866 -11.2866 -11.2862 -11.2862 -11.1722 -11.1722 -11.0839 -11.0839 -11.0156 -11.0156 -10.8822 -10.8822 -3.3246 -3.3246 -3.3239 -3.3239 -2.4808 -2.4808 -2.4694 -2.4694 -2.4628 -2.4628 2.2132 2.2132 6.0110 6.0110 7.3986 7.3986 7.4032 7.4032 9.1329 9.1329 9.3684 9.3684 9.4321 9.4321 9.9330 9.9330 12.3089 12.3089 12.3319 12.3319 12.4543 12.4543 12.5052 12.5052 12.6032 12.6032 k = 0.5000 0.5000 0.0303 ( 3544 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5940 -12.5940 -12.5768 -12.5768 -12.5554 -12.5554 -11.2878 -11.2878 -11.2874 -11.2874 -11.1707 -11.1707 -11.0843 -11.0843 -11.0137 -11.0137 -10.8819 -10.8819 -3.3247 -3.3247 -3.3240 -3.3240 -2.4809 -2.4809 -2.4694 -2.4694 -2.4628 -2.4628 2.2171 2.2171 6.0091 6.0091 7.3979 7.3979 7.4025 7.4025 9.1184 9.1184 9.3709 9.3709 9.4346 9.4346 9.9349 9.9349 12.3113 12.3113 12.3342 12.3342 12.4561 12.4561 12.5070 12.5070 12.6041 12.6041 k = 0.5000 0.5000 0.0455 ( 3540 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5949 -12.5949 -12.5769 -12.5769 -12.5558 -12.5558 -11.2904 -11.2904 -11.2886 -11.2886 -11.1683 -11.1683 -11.0849 -11.0849 -11.0106 -11.0106 -10.8815 -10.8815 -3.3247 -3.3247 -3.3240 -3.3240 -2.4810 -2.4810 -2.4694 -2.4694 -2.4629 -2.4629 2.2236 2.2236 6.0060 6.0060 7.3968 7.3968 7.4012 7.4012 9.0946 9.0946 9.3752 9.3752 9.4387 9.4387 9.9380 9.9380 12.3153 12.3153 12.3381 12.3381 12.4590 12.4590 12.5099 12.5099 12.6052 12.6052 k = 0.5000 0.5000 0.0606 ( 3540 PWs) bands (ev): -31.5044 -31.5044 -31.5042 -31.5042 -31.5042 -31.5042 -12.5961 -12.5961 -12.5771 -12.5771 -12.5563 -12.5563 -11.2938 -11.2938 -11.2903 -11.2903 -11.1652 -11.1652 -11.0856 -11.0856 -11.0064 -11.0064 -10.8809 -10.8809 -3.3248 -3.3248 -3.3241 -3.3241 -2.4811 -2.4811 -2.4694 -2.4694 -2.4630 -2.4630 2.2326 2.2326 6.0017 6.0017 7.3952 7.3952 7.3995 7.3995 9.0617 9.0617 9.3812 9.3812 9.4445 9.4445 9.9423 9.9423 12.3207 12.3207 12.3435 12.3435 12.4628 12.4628 12.5138 12.5138 12.6060 12.6060 k = 0.5000 0.5000 0.0758 ( 3540 PWs) bands (ev): -31.5043 -31.5043 -31.5042 -31.5042 -31.5042 -31.5042 -12.5977 -12.5977 -12.5773 -12.5773 -12.5569 -12.5569 -11.2980 -11.2980 -11.2923 -11.2923 -11.1614 -11.1614 -11.0863 -11.0863 -11.0013 -11.0013 -10.8802 -10.8802 -3.3249 -3.3249 -3.3242 -3.3242 -2.4813 -2.4813 -2.4694 -2.4694 -2.4632 -2.4632 2.2442 2.2442 5.9963 5.9963 7.3931 7.3931 7.3972 7.3972 9.0203 9.0203 9.3891 9.3891 9.4523 9.4523 9.9478 9.9478 12.3275 12.3275 12.3502 12.3502 12.4675 12.4675 12.5185 12.5185 12.6060 12.6060 k = 0.5000 0.5000 0.0909 ( 3524 PWs) bands (ev): -31.5043 -31.5043 -31.5042 -31.5042 -31.5042 -31.5042 -12.5996 -12.5996 -12.5776 -12.5776 -12.5576 -12.5576 -11.3027 -11.3027 -11.2947 -11.2947 -11.1572 -11.1572 -11.0869 -11.0869 -10.9955 -10.9955 -10.8793 -10.8793 -3.3250 -3.3250 -3.3244 -3.3244 -2.4815 -2.4815 -2.4694 -2.4694 -2.4633 -2.4633 2.2582 2.2582 5.9898 5.9898 7.3905 7.3905 7.3944 7.3944 8.9709 8.9709 9.3988 9.3988 9.4620 9.4620 9.9544 9.9544 12.3355 12.3355 12.3582 12.3582 12.4727 12.4727 12.5236 12.5236 12.6045 12.6045 k = 0.5000 0.5000 0.1061 ( 3524 PWs) bands (ev): -31.5043 -31.5043 -31.5042 -31.5042 -31.5042 -31.5042 -12.6018 -12.6018 -12.5779 -12.5779 -12.5585 -12.5585 -11.3078 -11.3078 -11.2974 -11.2974 -11.1527 -11.1527 -11.0874 -11.0874 -10.9890 -10.9890 -10.8782 -10.8782 -3.3251 -3.3251 -3.3245 -3.3245 -2.4817 -2.4817 -2.4694 -2.4694 -2.4635 -2.4635 2.2746 2.2746 5.9823 5.9823 7.3875 7.3875 7.3911 7.3911 8.9143 8.9143 9.4106 9.4106 9.4737 9.4737 9.9619 9.9619 12.3447 12.3447 12.3674 12.3674 12.4781 12.4781 12.5289 12.5289 12.6008 12.6008 k = 0.5000 0.5000 0.1212 ( 3532 PWs) bands (ev): -31.5043 -31.5043 -31.5042 -31.5042 -31.5042 -31.5042 -12.6042 -12.6042 -12.5782 -12.5782 -12.5595 -12.5595 -11.3132 -11.3132 -11.3004 -11.3004 -11.1479 -11.1479 -11.0878 -11.0878 -10.9820 -10.9820 -10.8770 -10.8770 -3.3253 -3.3253 -3.3247 -3.3247 -2.4820 -2.4820 -2.4694 -2.4694 -2.4638 -2.4638 2.2933 2.2933 5.9738 5.9738 7.3839 7.3839 7.3872 7.3872 8.8511 8.8511 9.4244 9.4244 9.4876 9.4876 9.9704 9.9704 12.3548 12.3548 12.3775 12.3775 12.4834 12.4834 12.5340 12.5340 12.5945 12.5945 k = 0.5000 0.5000 0.1364 ( 3532 PWs) bands (ev): -31.5043 -31.5043 -31.5042 -31.5042 -31.5042 -31.5042 -12.6069 -12.6069 -12.5786 -12.5786 -12.5606 -12.5606 -11.3187 -11.3187 -11.3035 -11.3035 -11.1430 -11.1430 -11.0881 -11.0881 -10.9745 -10.9745 -10.8757 -10.8757 -3.3255 -3.3255 -3.3249 -3.3249 -2.4823 -2.4823 -2.4694 -2.4694 -2.4640 -2.4640 2.3142 2.3142 5.9646 5.9646 7.3799 7.3799 7.3828 7.3828 8.7822 8.7822 9.4404 9.4404 9.5037 9.5037 9.9797 9.9797 12.3658 12.3658 12.3886 12.3886 12.4881 12.4881 12.5385 12.5385 12.5851 12.5851 k = 0.5000 0.5000 0.1515 ( 3532 PWs) bands (ev): -31.5043 -31.5043 -31.5041 -31.5041 -31.5041 -31.5041 -12.6099 -12.6099 -12.5790 -12.5790 -12.5618 -12.5618 -11.3244 -11.3244 -11.3068 -11.3068 -11.1381 -11.1381 -11.0882 -11.0882 -10.9668 -10.9668 -10.8742 -10.8742 -3.3256 -3.3256 -3.3251 -3.3251 -2.4826 -2.4826 -2.4693 -2.4693 -2.4643 -2.4643 2.3372 2.3372 5.9546 5.9546 7.3753 7.3753 7.3779 7.3779 8.7083 8.7083 9.4586 9.4586 9.5221 9.5221 9.9897 9.9897 12.3774 12.3774 12.4005 12.4005 12.4917 12.4917 12.5420 12.5420 12.5725 12.5725 k = 0.5000 0.5000 0.1667 ( 3496 PWs) bands (ev): -31.5042 -31.5042 -31.5041 -31.5041 -31.5041 -31.5041 -12.6130 -12.6130 -12.5794 -12.5794 -12.5631 -12.5631 -11.3302 -11.3302 -11.3101 -11.3101 -11.1333 -11.1333 -11.0881 -11.0881 -10.9589 -10.9589 -10.8727 -10.8727 -3.3258 -3.3258 -3.3253 -3.3253 -2.4830 -2.4830 -2.4693 -2.4693 -2.4645 -2.4645 2.3622 2.3622 5.9440 5.9440 7.3703 7.3703 7.3724 7.3724 8.6303 8.6303 9.4791 9.4791 9.5428 9.5428 10.0004 10.0004 12.3895 12.3895 12.4129 12.4129 12.4937 12.4937 12.5440 12.5440 12.5569 12.5569 k = 0.5000 0.5000 0.1818 ( 3520 PWs) bands (ev): -31.5042 -31.5042 -31.5041 -31.5041 -31.5041 -31.5041 -12.6162 -12.6162 -12.5799 -12.5799 -12.5645 -12.5645 -11.3359 -11.3359 -11.3135 -11.3135 -11.1284 -11.1284 -11.0879 -11.0879 -10.9508 -10.9508 -10.8710 -10.8710 -3.3260 -3.3260 -3.3255 -3.3255 -2.4834 -2.4834 -2.4693 -2.4693 -2.4648 -2.4648 2.3890 2.3890 5.9328 5.9328 7.3647 7.3647 7.3664 7.3664 8.5488 8.5488 9.5019 9.5019 9.5659 9.5659 10.0115 10.0115 12.4017 12.4017 12.4259 12.4259 12.4931 12.4931 12.5388 12.5388 12.5440 12.5440 k = 0.5000 0.5000 0.1970 ( 3520 PWs) bands (ev): -31.5042 -31.5042 -31.5041 -31.5041 -31.5041 -31.5041 -12.6196 -12.6196 -12.5804 -12.5804 -12.5660 -12.5660 -11.3416 -11.3416 -11.3168 -11.3168 -11.1238 -11.1238 -11.0876 -11.0876 -10.9426 -10.9426 -10.8692 -10.8692 -3.3263 -3.3263 -3.3258 -3.3258 -2.4838 -2.4838 -2.4693 -2.4693 -2.4651 -2.4651 2.4176 2.4176 5.9213 5.9213 7.3588 7.3588 7.3600 7.3600 8.4648 8.4648 9.5270 9.5270 9.5913 9.5913 10.0230 10.0230 12.4136 12.4136 12.4390 12.4390 12.4886 12.4886 12.5201 12.5201 12.5418 12.5418 k = 0.5000 0.5000 0.2121 ( 3516 PWs) bands (ev): -31.5042 -31.5042 -31.5041 -31.5041 -31.5041 -31.5041 -12.6231 -12.6231 -12.5809 -12.5809 -12.5675 -12.5675 -11.3471 -11.3471 -11.3202 -11.3202 -11.1192 -11.1192 -11.0871 -11.0871 -10.9344 -10.9344 -10.8674 -10.8674 -3.3265 -3.3265 -3.3260 -3.3260 -2.4842 -2.4842 -2.4693 -2.4693 -2.4655 -2.4655 2.4476 2.4476 5.9094 5.9094 7.3525 7.3525 7.3532 7.3532 8.3788 8.3788 9.5543 9.5543 9.6191 9.6191 10.0349 10.0349 12.4234 12.4234 12.4521 12.4521 12.4785 12.4785 12.5039 12.5039 12.5371 12.5371 k = 0.5000 0.5000 0.2273 ( 3508 PWs) bands (ev): -31.5041 -31.5041 -31.5040 -31.5040 -31.5040 -31.5040 -12.6267 -12.6267 -12.5814 -12.5814 -12.5690 -12.5690 -11.3526 -11.3526 -11.3234 -11.3234 -11.1149 -11.1149 -11.0866 -11.0866 -10.9263 -10.9263 -10.8654 -10.8654 -3.3267 -3.3267 -3.3263 -3.3263 -2.4847 -2.4847 -2.4693 -2.4693 -2.4658 -2.4658 2.4789 2.4789 5.8974 5.8974 7.3458 7.3458 7.3460 7.3460 8.2917 8.2917 9.5839 9.5839 9.6492 9.6492 10.0469 10.0469 12.4247 12.4247 12.4643 12.4643 12.4684 12.4684 12.4912 12.4912 12.5302 12.5302 k = 0.5000 0.5000 0.2424 ( 3508 PWs) bands (ev): -31.5041 -31.5041 -31.5040 -31.5040 -31.5040 -31.5040 -12.6303 -12.6303 -12.5819 -12.5819 -12.5706 -12.5706 -11.3578 -11.3578 -11.3266 -11.3266 -11.1107 -11.1107 -11.0859 -11.0859 -10.9184 -10.9184 -10.8635 -10.8635 -3.3269 -3.3269 -3.3266 -3.3266 -2.4851 -2.4851 -2.4693 -2.4693 -2.4661 -2.4661 2.5113 2.5113 5.8853 5.8853 7.3385 7.3385 7.3389 7.3389 8.2041 8.2041 9.6155 9.6155 9.6814 9.6814 10.0589 10.0589 12.4088 12.4088 12.4693 12.4693 12.4738 12.4738 12.4798 12.4798 12.5227 12.5227 k = 0.5000 0.5000 0.2576 ( 3512 PWs) bands (ev): -31.5041 -31.5041 -31.5040 -31.5040 -31.5040 -31.5040 -12.6339 -12.6339 -12.5825 -12.5825 -12.5721 -12.5721 -11.3629 -11.3629 -11.3296 -11.3296 -11.1067 -11.1067 -11.0852 -11.0852 -10.9105 -10.9105 -10.8615 -10.8615 -3.3272 -3.3272 -3.3268 -3.3268 -2.4856 -2.4856 -2.4693 -2.4693 -2.4664 -2.4664 2.5445 2.5445 5.8732 5.8732 7.3309 7.3309 7.3317 7.3317 8.1166 8.1166 9.6491 9.6491 9.7157 9.7157 10.0710 10.0710 12.3828 12.3828 12.4609 12.4609 12.4751 12.4751 12.4831 12.4831 12.5198 12.5198 k = 0.5000 0.5000 0.2727 ( 3504 PWs) bands (ev): -31.5041 -31.5041 -31.5040 -31.5040 -31.5040 -31.5040 -12.6374 -12.6374 -12.5830 -12.5830 -12.5737 -12.5737 -11.3678 -11.3678 -11.3325 -11.3325 -11.1030 -11.1030 -11.0845 -11.0845 -10.9030 -10.9030 -10.8595 -10.8595 -3.3274 -3.3274 -3.3271 -3.3271 -2.4860 -2.4860 -2.4693 -2.4693 -2.4667 -2.4667 2.5783 2.5783 5.8613 5.8613 7.3230 7.3230 7.3245 7.3245 8.0301 8.0301 9.6843 9.6843 9.7518 9.7518 10.0829 10.0829 12.3536 12.3536 12.4428 12.4428 12.4637 12.4637 12.4952 12.4952 12.5257 12.5257 k = 0.5000 0.5000 0.2879 ( 3504 PWs) bands (ev): -31.5040 -31.5040 -31.5040 -31.5040 -31.5040 -31.5040 -12.6409 -12.6409 -12.5835 -12.5835 -12.5752 -12.5752 -11.3724 -11.3724 -11.3353 -11.3353 -11.0995 -11.0995 -11.0837 -11.0837 -10.8956 -10.8956 -10.8575 -10.8575 -3.3276 -3.3276 -3.3273 -3.3273 -2.4865 -2.4865 -2.4692 -2.4692 -2.4669 -2.4669 2.6124 2.6124 5.8496 5.8496 7.3152 7.3152 7.3171 7.3171 7.9451 7.9451 9.7211 9.7211 9.7895 9.7895 10.0946 10.0946 12.3234 12.3234 12.4208 12.4208 12.4436 12.4436 12.5082 12.5082 12.5365 12.5365 k = 0.5000 0.5000 0.3030 ( 3504 PWs) bands (ev): -31.5040 -31.5040 -31.5040 -31.5040 -31.5040 -31.5040 -12.6443 -12.6443 -12.5840 -12.5840 -12.5767 -12.5767 -11.3768 -11.3768 -11.3379 -11.3379 -11.0963 -11.0963 -11.0829 -11.0829 -10.8886 -10.8886 -10.8555 -10.8555 -3.3279 -3.3279 -3.3276 -3.3276 -2.4870 -2.4870 -2.4692 -2.4692 -2.4672 -2.4672 2.6465 2.6465 5.8383 5.8383 7.3074 7.3074 7.3098 7.3098 7.8623 7.8623 9.7590 9.7590 9.8286 9.8286 10.1060 10.1060 12.2931 12.2931 12.3956 12.3956 12.4183 12.4183 12.5214 12.5214 12.5489 12.5489 k = 0.5000 0.5000 0.3182 ( 3496 PWs) bands (ev): -31.5040 -31.5040 -31.5039 -31.5039 -31.5039 -31.5039 -12.6476 -12.6476 -12.5845 -12.5845 -12.5782 -12.5782 -11.3809 -11.3809 -11.3403 -11.3403 -11.0933 -11.0933 -11.0821 -11.0821 -10.8820 -10.8820 -10.8536 -10.8536 -3.3281 -3.3281 -3.3278 -3.3278 -2.4874 -2.4874 -2.4692 -2.4692 -2.4675 -2.4675 2.6803 2.6803 5.8274 5.8274 7.2997 7.2997 7.3026 7.3026 7.7824 7.7824 9.7976 9.7976 9.8685 9.8685 10.1171 10.1171 12.2634 12.2634 12.3673 12.3673 12.3892 12.3892 12.5344 12.5344 12.5616 12.5616 k = 0.5000 0.5000 0.3333 ( 3504 PWs) bands (ev): -31.5040 -31.5040 -31.5039 -31.5039 -31.5039 -31.5039 -12.6508 -12.6508 -12.5850 -12.5850 -12.5796 -12.5796 -11.3847 -11.3847 -11.3425 -11.3425 -11.0905 -11.0905 -11.0813 -11.0813 -10.8757 -10.8757 -10.8518 -10.8518 -3.3283 -3.3283 -3.3281 -3.3281 -2.4878 -2.4878 -2.4692 -2.4692 -2.4677 -2.4677 2.7134 2.7134 5.8171 5.8171 7.2922 7.2922 7.2956 7.2956 7.7058 7.7058 9.8366 9.8366 9.9090 9.9090 10.1278 10.1278 12.2349 12.2349 12.3366 12.3366 12.3573 12.3573 12.5470 12.5470 12.5740 12.5740 k = 0.5000 0.5000 0.3485 ( 3512 PWs) bands (ev): -31.5040 -31.5040 -31.5039 -31.5039 -31.5039 -31.5039 -12.6537 -12.6537 -12.5854 -12.5854 -12.5809 -12.5809 -11.3883 -11.3883 -11.3446 -11.3446 -11.0880 -11.0880 -11.0805 -11.0805 -10.8699 -10.8699 -10.8500 -10.8500 -3.3285 -3.3285 -3.3283 -3.3283 -2.4883 -2.4883 -2.4692 -2.4692 -2.4680 -2.4680 2.7454 2.7454 5.8073 5.8073 7.2850 7.2850 7.2889 7.2889 7.6333 7.6333 9.8754 9.8754 9.9496 9.9496 10.1381 10.1381 12.2077 12.2077 12.3039 12.3039 12.3235 12.3235 12.5590 12.5590 12.5858 12.5858 k = 0.5000 0.5000 0.3636 ( 3516 PWs) bands (ev): -31.5040 -31.5040 -31.5039 -31.5039 -31.5039 -31.5039 -12.6565 -12.6565 -12.5859 -12.5859 -12.5821 -12.5821 -11.3915 -11.3915 -11.3465 -11.3465 -11.0858 -11.0858 -11.0798 -11.0798 -10.8646 -10.8646 -10.8484 -10.8484 -3.3287 -3.3287 -3.3285 -3.3285 -2.4886 -2.4886 -2.4692 -2.4692 -2.4682 -2.4682 2.7759 2.7759 5.7983 5.7983 7.2783 7.2783 7.2825 7.2825 7.5655 7.5655 9.9134 9.9134 9.9896 9.9896 10.1479 10.1479 12.1823 12.1823 12.2701 12.2701 12.2885 12.2885 12.5704 12.5704 12.5968 12.5968 k = 0.5000 0.5000 0.3788 ( 3516 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6590 -12.6590 -12.5862 -12.5862 -12.5833 -12.5833 -11.3944 -11.3944 -11.3481 -11.3481 -11.0838 -11.0838 -11.0791 -11.0791 -10.8597 -10.8597 -10.8469 -10.8469 -3.3288 -3.3288 -3.3287 -3.3287 -2.4890 -2.4890 -2.4692 -2.4692 -2.4684 -2.4684 2.8047 2.8047 5.7900 5.7900 7.2719 7.2719 7.2766 7.2766 7.5029 7.5029 9.9499 9.9499 10.0286 10.0286 10.1574 10.1574 12.1590 12.1590 12.2360 12.2360 12.2533 12.2533 12.5808 12.5808 12.6067 12.6067 k = 0.5000 0.5000 0.3939 ( 3516 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6613 -12.6613 -12.5866 -12.5866 -12.5843 -12.5843 -11.3970 -11.3970 -11.3496 -11.3496 -11.0820 -11.0820 -11.0785 -11.0785 -10.8553 -10.8553 -10.8455 -10.8455 -3.3290 -3.3290 -3.3289 -3.3289 -2.4893 -2.4893 -2.4692 -2.4692 -2.4685 -2.4685 2.8312 2.8312 5.7826 5.7826 7.2662 7.2662 7.2712 7.2712 7.4462 7.4462 9.9841 9.9841 10.0657 10.0657 10.1664 10.1664 12.1377 12.1377 12.2026 12.2026 12.2188 12.2188 12.5904 12.5904 12.6152 12.6152 k = 0.5000 0.5000 0.4091 ( 3508 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6633 -12.6633 -12.5869 -12.5869 -12.5852 -12.5852 -11.3992 -11.3992 -11.3509 -11.3509 -11.0805 -11.0805 -11.0779 -11.0779 -10.8515 -10.8515 -10.8443 -10.8443 -3.3291 -3.3291 -3.3291 -3.3291 -2.4896 -2.4896 -2.4691 -2.4691 -2.4687 -2.4687 2.8551 2.8551 5.7760 5.7760 7.2611 7.2611 7.2663 7.2663 7.3958 7.3958 10.0152 10.0152 10.1002 10.1002 10.1751 10.1751 12.1186 12.1186 12.1710 12.1710 12.1860 12.1860 12.5988 12.5988 12.6220 12.6220 k = 0.5000 0.5000 0.4242 ( 3504 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6650 -12.6650 -12.5872 -12.5872 -12.5860 -12.5860 -11.4011 -11.4011 -11.3520 -11.3520 -11.0792 -11.0792 -11.0774 -11.0774 -10.8482 -10.8482 -10.8432 -10.8432 -3.3292 -3.3292 -3.3292 -3.3292 -2.4899 -2.4899 -2.4691 -2.4691 -2.4688 -2.4688 2.8761 2.8761 5.7703 5.7703 7.2567 7.2567 7.2621 7.2621 7.3523 7.3523 10.0424 10.0424 10.1313 10.1313 10.1835 10.1835 12.1017 12.1017 12.1425 12.1425 12.1559 12.1559 12.6062 12.6062 12.6265 12.6265 k = 0.5000 0.5000 0.4394 ( 3504 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6665 -12.6665 -12.5874 -12.5874 -12.5866 -12.5866 -11.4027 -11.4027 -11.3529 -11.3529 -11.0781 -11.0781 -11.0770 -11.0770 -10.8455 -10.8455 -10.8423 -10.8423 -3.3293 -3.3293 -3.3293 -3.3293 -2.4901 -2.4901 -2.4691 -2.4691 -2.4689 -2.4689 2.8937 2.8937 5.7657 5.7657 7.2530 7.2530 7.2585 7.2585 7.3161 7.3161 10.0650 10.0650 10.1583 10.1583 10.1915 10.1915 12.0868 12.0868 12.1183 12.1183 12.1296 12.1296 12.6123 12.6123 12.6283 12.6283 k = 0.5000 0.5000 0.4545 ( 3512 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6676 -12.6676 -12.5876 -12.5876 -12.5871 -12.5871 -11.4039 -11.4039 -11.3535 -11.3535 -11.0773 -11.0773 -11.0767 -11.0767 -10.8434 -10.8434 -10.8416 -10.8416 -3.3294 -3.3294 -3.3294 -3.3294 -2.4902 -2.4902 -2.4691 -2.4691 -2.4690 -2.4690 2.9078 2.9078 5.7620 5.7620 7.2500 7.2500 7.2554 7.2554 7.2877 7.2877 10.0825 10.0825 10.1802 10.1802 10.1987 10.1987 12.0735 12.0735 12.0999 12.0999 12.1080 12.1080 12.6171 12.6171 12.6277 12.6277 k = 0.5000 0.5000 0.4697 ( 3528 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6684 -12.6684 -12.5877 -12.5877 -12.5875 -12.5875 -11.4048 -11.4048 -11.3540 -11.3540 -11.0767 -11.0767 -11.0765 -11.0765 -10.8419 -10.8419 -10.8411 -10.8411 -3.3295 -3.3295 -3.3295 -3.3295 -2.4904 -2.4904 -2.4691 -2.4691 -2.4691 -2.4691 2.9180 2.9180 5.7593 5.7593 7.2479 7.2479 7.2525 7.2525 7.2678 7.2678 10.0948 10.0948 10.1965 10.1965 10.2045 10.2045 12.0624 12.0624 12.0876 12.0876 12.0919 12.0919 12.6206 12.6206 12.6258 12.6258 k = 0.5000 0.5000 0.4848 ( 3544 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6689 -12.6689 -12.5878 -12.5878 -12.5877 -12.5877 -11.4053 -11.4053 -11.3543 -11.3543 -11.0764 -11.0764 -11.0763 -11.0763 -10.8410 -10.8410 -10.8408 -10.8408 -3.3295 -3.3295 -3.3295 -3.3295 -2.4904 -2.4904 -2.4691 -2.4691 -2.4691 -2.4691 2.9242 2.9242 5.7577 5.7577 7.2466 7.2466 7.2486 7.2486 7.2579 7.2579 10.1021 10.1021 10.2065 10.2065 10.2085 10.2085 12.0549 12.0549 12.0808 12.0808 12.0820 12.0820 12.6227 12.6227 12.6241 12.6241 k = 0.5000 0.5000 0.5000 ( 3544 PWs) bands (ev): -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -31.5039 -12.6691 -12.6691 -12.5878 -12.5878 -12.5878 -12.5878 -11.4055 -11.4055 -11.3544 -11.3544 -11.0763 -11.0763 -11.0763 -11.0763 -10.8407 -10.8407 -10.8407 -10.8407 -3.3295 -3.3295 -3.3295 -3.3295 -2.4905 -2.4905 -2.4691 -2.4691 -2.4691 -2.4691 2.9263 2.9263 5.7572 5.7572 7.2462 7.2462 7.2462 7.2462 7.2558 7.2558 10.1045 10.1045 10.2098 10.2098 10.2098 10.2098 12.0522 12.0522 12.0786 12.0786 12.0786 12.0786 12.6235 12.6235 12.6235 12.6235 Writing output data file Y3InC.save init_run : 0.75s CPU 1.06s WALL ( 1 calls) electrons : 120.73s CPU 123.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 120.72s CPU 123.48s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 253 calls) cegterg : 106.57s CPU 108.18s WALL ( 310 calls) Called by sum_band: Called by *egterg: h_psi : 62.87s CPU 64.34s WALL ( 5352 calls) s_psi : 4.36s CPU 4.36s WALL ( 5352 calls) g_psi : 0.15s CPU 0.15s WALL ( 4789 calls) cdiaghg : 40.52s CPU 40.35s WALL ( 5042 calls) cegterg:over : 4.17s CPU 4.35s WALL ( 4789 calls) cegterg:upda : 3.03s CPU 3.30s WALL ( 4789 calls) cegterg:last : 1.85s CPU 2.05s WALL ( 816 calls) cdiaghg:chol : 2.25s CPU 2.27s WALL ( 5042 calls) cdiaghg:inve : 1.46s CPU 1.51s WALL ( 5042 calls) cdiaghg:para : 2.56s CPU 2.52s WALL ( 10084 calls) Called by h_psi: h_psi:vloc : 53.37s CPU 54.74s WALL ( 5352 calls) h_psi:vnl : 9.33s CPU 9.44s WALL ( 5352 calls) add_vuspsi : 5.13s CPU 5.13s WALL ( 5352 calls) General routines calbec : 4.19s CPU 4.29s WALL ( 5352 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.66s CPU 51.14s WALL ( 652312 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.16s WALL ( 506 calls) Parallel routines fft_scatter : 18.36s CPU 19.13s WALL ( 652335 calls) PWSCF : 2m14.69s CPU 2m31.01s WALL This run was terminated on: 16:59:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=