Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:29:17 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: ./Y3TlC.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 61 34 9 2189 884 141 Max 62 35 10 2196 904 146 Sum 2225 1225 357 78949 32231 5185 bravais-lattice index = 14 lattice parameter (alat) = 9.2389 a.u. unit-cell volume = 788.5997 (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 = 45.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.238870 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 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 1281 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 Tl 13.00 204.38330 Tl( 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: 78949 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 32231 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 212, 60) NL pseudopotentials 0.24 Mb ( 106, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2196) G-vector shells 0.00 Mb ( 448) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 212, 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 : ./Y3TlC.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 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 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 9.3 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 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.9 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 19.1 secs Computing kpt #: 31 total cpu time spent up to now is 19.7 secs Computing kpt #: 32 total cpu time spent up to now is 20.4 secs Computing kpt #: 33 total cpu time spent up to now is 22.0 secs Computing kpt #: 34 total cpu time spent up to now is 22.6 secs Computing kpt #: 35 total cpu time spent up to now is 23.2 secs Computing kpt #: 36 total cpu time spent up to now is 24.2 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.7 secs Computing kpt #: 39 total cpu time spent up to now is 26.4 secs Computing kpt #: 40 total cpu time spent up to now is 27.1 secs Computing kpt #: 41 total cpu time spent up to now is 28.0 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.5 secs Computing kpt #: 44 total cpu time spent up to now is 30.2 secs Computing kpt #: 45 total cpu time spent up to now is 30.8 secs Computing kpt #: 46 total cpu time spent up to now is 31.4 secs Computing kpt #: 47 total cpu time spent up to now is 32.0 secs Computing kpt #: 48 total cpu time spent up to now is 32.4 secs Computing kpt #: 49 total cpu time spent up to now is 32.9 secs Computing kpt #: 50 total cpu time spent up to now is 33.4 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.4 secs Computing kpt #: 53 total cpu time spent up to now is 34.9 secs Computing kpt #: 54 total cpu time spent up to now is 35.3 secs Computing kpt #: 55 total cpu time spent up to now is 35.8 secs Computing kpt #: 56 total cpu time spent up to now is 36.3 secs Computing kpt #: 57 total cpu time spent up to now is 36.9 secs Computing kpt #: 58 total cpu time spent up to now is 37.4 secs Computing kpt #: 59 total cpu time spent up to now is 37.9 secs Computing kpt #: 60 total cpu time spent up to now is 38.4 secs Computing kpt #: 61 total cpu time spent up to now is 38.9 secs Computing kpt #: 62 total cpu time spent up to now is 39.4 secs Computing kpt #: 63 total cpu time spent up to now is 39.8 secs Computing kpt #: 64 total cpu time spent up to now is 40.3 secs Computing kpt #: 65 total cpu time spent up to now is 40.8 secs Computing kpt #: 66 total cpu time spent up to now is 41.2 secs Computing kpt #: 67 total cpu time spent up to now is 41.7 secs Computing kpt #: 68 total cpu time spent up to now is 42.1 secs Computing kpt #: 69 total cpu time spent up to now is 42.6 secs Computing kpt #: 70 total cpu time spent up to now is 43.0 secs Computing kpt #: 71 total cpu time spent up to now is 43.5 secs Computing kpt #: 72 total cpu time spent up to now is 43.9 secs Computing kpt #: 73 total cpu time spent up to now is 44.4 secs Computing kpt #: 74 total cpu time spent up to now is 44.9 secs Computing kpt #: 75 total cpu time spent up to now is 45.4 secs Computing kpt #: 76 total cpu time spent up to now is 45.8 secs Computing kpt #: 77 total cpu time spent up to now is 46.3 secs Computing kpt #: 78 total cpu time spent up to now is 46.8 secs Computing kpt #: 79 total cpu time spent up to now is 47.2 secs Computing kpt #: 80 total cpu time spent up to now is 47.7 secs Computing kpt #: 81 total cpu time spent up to now is 48.3 secs Computing kpt #: 82 total cpu time spent up to now is 48.8 secs Computing kpt #: 83 total cpu time spent up to now is 49.3 secs Computing kpt #: 84 total cpu time spent up to now is 49.8 secs Computing kpt #: 85 total cpu time spent up to now is 50.3 secs Computing kpt #: 86 total cpu time spent up to now is 50.9 secs Computing kpt #: 87 total cpu time spent up to now is 51.4 secs Computing kpt #: 88 total cpu time spent up to now is 51.8 secs Computing kpt #: 89 total cpu time spent up to now is 52.3 secs Computing kpt #: 90 total cpu time spent up to now is 52.8 secs Computing kpt #: 91 total cpu time spent up to now is 53.2 secs Computing kpt #: 92 total cpu time spent up to now is 53.7 secs Computing kpt #: 93 total cpu time spent up to now is 54.1 secs Computing kpt #: 94 total cpu time spent up to now is 54.5 secs Computing kpt #: 95 total cpu time spent up to now is 55.0 secs Computing kpt #: 96 total cpu time spent up to now is 55.4 secs Computing kpt #: 97 total cpu time spent up to now is 55.8 secs Computing kpt #: 98 total cpu time spent up to now is 56.3 secs Computing kpt #: 99 total cpu time spent up to now is 56.7 secs Computing kpt #: 100 total cpu time spent up to now is 57.2 secs Computing kpt #: 101 total cpu time spent up to now is 57.6 secs Computing kpt #: 102 total cpu time spent up to now is 58.1 secs Computing kpt #: 103 total cpu time spent up to now is 58.6 secs Computing kpt #: 104 total cpu time spent up to now is 59.1 secs Computing kpt #: 105 total cpu time spent up to now is 59.5 secs Computing kpt #: 106 total cpu time spent up to now is 60.0 secs Computing kpt #: 107 total cpu time spent up to now is 60.5 secs Computing kpt #: 108 total cpu time spent up to now is 61.0 secs Computing kpt #: 109 total cpu time spent up to now is 61.5 secs Computing kpt #: 110 total cpu time spent up to now is 62.0 secs Computing kpt #: 111 total cpu time spent up to now is 62.4 secs Computing kpt #: 112 total cpu time spent up to now is 62.9 secs Computing kpt #: 113 total cpu time spent up to now is 63.4 secs Computing kpt #: 114 total cpu time spent up to now is 63.9 secs Computing kpt #: 115 total cpu time spent up to now is 64.3 secs Computing kpt #: 116 total cpu time spent up to now is 64.8 secs Computing kpt #: 117 total cpu time spent up to now is 65.2 secs Computing kpt #: 118 total cpu time spent up to now is 65.7 secs Computing kpt #: 119 total cpu time spent up to now is 66.2 secs Computing kpt #: 120 total cpu time spent up to now is 66.7 secs Computing kpt #: 121 total cpu time spent up to now is 67.1 secs Computing kpt #: 122 total cpu time spent up to now is 67.6 secs Computing kpt #: 123 total cpu time spent up to now is 68.1 secs Computing kpt #: 124 total cpu time spent up to now is 68.6 secs Computing kpt #: 125 total cpu time spent up to now is 69.1 secs Computing kpt #: 126 total cpu time spent up to now is 69.6 secs Computing kpt #: 127 total cpu time spent up to now is 70.0 secs Computing kpt #: 128 total cpu time spent up to now is 70.5 secs Computing kpt #: 129 total cpu time spent up to now is 71.0 secs Computing kpt #: 130 total cpu time spent up to now is 71.5 secs Computing kpt #: 131 total cpu time spent up to now is 72.0 secs Computing kpt #: 132 total cpu time spent up to now is 72.5 secs Computing kpt #: 133 total cpu time spent up to now is 72.9 secs Computing kpt #: 134 total cpu time spent up to now is 73.4 secs Computing kpt #: 135 total cpu time spent up to now is 73.9 secs Computing kpt #: 136 total cpu time spent up to now is 74.4 secs Computing kpt #: 137 total cpu time spent up to now is 74.8 secs Computing kpt #: 138 total cpu time spent up to now is 75.3 secs Computing kpt #: 139 total cpu time spent up to now is 75.8 secs Computing kpt #: 140 total cpu time spent up to now is 76.3 secs Computing kpt #: 141 total cpu time spent up to now is 76.8 secs Computing kpt #: 142 total cpu time spent up to now is 77.2 secs Computing kpt #: 143 total cpu time spent up to now is 77.8 secs Computing kpt #: 144 total cpu time spent up to now is 78.3 secs Computing kpt #: 145 total cpu time spent up to now is 78.8 secs Computing kpt #: 146 total cpu time spent up to now is 79.2 secs Computing kpt #: 147 total cpu time spent up to now is 79.7 secs Computing kpt #: 148 total cpu time spent up to now is 80.2 secs Computing kpt #: 149 total cpu time spent up to now is 80.7 secs Computing kpt #: 150 total cpu time spent up to now is 81.2 secs Computing kpt #: 151 total cpu time spent up to now is 81.7 secs Computing kpt #: 152 total cpu time spent up to now is 82.2 secs Computing kpt #: 153 total cpu time spent up to now is 82.6 secs Computing kpt #: 154 total cpu time spent up to now is 83.1 secs Computing kpt #: 155 total cpu time spent up to now is 83.6 secs Computing kpt #: 156 total cpu time spent up to now is 84.1 secs Computing kpt #: 157 total cpu time spent up to now is 84.6 secs Computing kpt #: 158 total cpu time spent up to now is 85.1 secs Computing kpt #: 159 total cpu time spent up to now is 85.6 secs Computing kpt #: 160 total cpu time spent up to now is 86.1 secs Computing kpt #: 161 total cpu time spent up to now is 86.6 secs Computing kpt #: 162 total cpu time spent up to now is 87.1 secs Computing kpt #: 163 total cpu time spent up to now is 87.6 secs Computing kpt #: 164 total cpu time spent up to now is 88.0 secs Computing kpt #: 165 total cpu time spent up to now is 88.5 secs Computing kpt #: 166 total cpu time spent up to now is 89.1 secs Computing kpt #: 167 total cpu time spent up to now is 89.6 secs Computing kpt #: 168 total cpu time spent up to now is 90.1 secs Computing kpt #: 169 total cpu time spent up to now is 90.6 secs Computing kpt #: 170 total cpu time spent up to now is 91.2 secs Computing kpt #: 171 total cpu time spent up to now is 91.7 secs Computing kpt #: 172 total cpu time spent up to now is 92.2 secs Computing kpt #: 173 total cpu time spent up to now is 92.8 secs Computing kpt #: 174 total cpu time spent up to now is 93.4 secs Computing kpt #: 175 total cpu time spent up to now is 93.9 secs Computing kpt #: 176 total cpu time spent up to now is 94.4 secs Computing kpt #: 177 total cpu time spent up to now is 94.9 secs Computing kpt #: 178 total cpu time spent up to now is 95.5 secs Computing kpt #: 179 total cpu time spent up to now is 96.0 secs Computing kpt #: 180 total cpu time spent up to now is 96.5 secs Computing kpt #: 181 total cpu time spent up to now is 97.0 secs Computing kpt #: 182 total cpu time spent up to now is 97.5 secs Computing kpt #: 183 total cpu time spent up to now is 98.0 secs Computing kpt #: 184 total cpu time spent up to now is 98.5 secs Computing kpt #: 185 total cpu time spent up to now is 99.0 secs Computing kpt #: 186 total cpu time spent up to now is 99.5 secs Computing kpt #: 187 total cpu time spent up to now is 100.0 secs Computing kpt #: 188 total cpu time spent up to now is 100.5 secs Computing kpt #: 189 total cpu time spent up to now is 101.0 secs Computing kpt #: 190 total cpu time spent up to now is 101.5 secs Computing kpt #: 191 total cpu time spent up to now is 102.0 secs Computing kpt #: 192 total cpu time spent up to now is 102.5 secs Computing kpt #: 193 total cpu time spent up to now is 103.0 secs Computing kpt #: 194 total cpu time spent up to now is 103.4 secs Computing kpt #: 195 total cpu time spent up to now is 103.9 secs Computing kpt #: 196 total cpu time spent up to now is 104.4 secs Computing kpt #: 197 total cpu time spent up to now is 104.9 secs Computing kpt #: 198 total cpu time spent up to now is 105.3 secs Computing kpt #: 199 total cpu time spent up to now is 105.8 secs Computing kpt #: 200 total cpu time spent up to now is 106.2 secs Computing kpt #: 201 total cpu time spent up to now is 106.7 secs Computing kpt #: 202 total cpu time spent up to now is 107.2 secs Computing kpt #: 203 total cpu time spent up to now is 107.6 secs Computing kpt #: 204 total cpu time spent up to now is 108.1 secs Computing kpt #: 205 total cpu time spent up to now is 108.6 secs Computing kpt #: 206 total cpu time spent up to now is 109.0 secs Computing kpt #: 207 total cpu time spent up to now is 109.5 secs Computing kpt #: 208 total cpu time spent up to now is 110.0 secs Computing kpt #: 209 total cpu time spent up to now is 110.6 secs Computing kpt #: 210 total cpu time spent up to now is 111.2 secs Computing kpt #: 211 total cpu time spent up to now is 112.3 secs Computing kpt #: 212 total cpu time spent up to now is 113.2 secs Computing kpt #: 213 total cpu time spent up to now is 114.3 secs Computing kpt #: 214 total cpu time spent up to now is 115.2 secs Computing kpt #: 215 total cpu time spent up to now is 116.0 secs Computing kpt #: 216 total cpu time spent up to now is 116.8 secs Computing kpt #: 217 total cpu time spent up to now is 117.6 secs Computing kpt #: 218 total cpu time spent up to now is 118.6 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.2 secs Computing kpt #: 220 total cpu time spent up to now is 120.7 secs Computing kpt #: 221 total cpu time spent up to now is 121.1 secs Computing kpt #: 222 total cpu time spent up to now is 121.6 secs Computing kpt #: 223 total cpu time spent up to now is 122.0 secs Computing kpt #: 224 total cpu time spent up to now is 122.4 secs Computing kpt #: 225 total cpu time spent up to now is 122.9 secs Computing kpt #: 226 total cpu time spent up to now is 123.4 secs Computing kpt #: 227 total cpu time spent up to now is 123.8 secs Computing kpt #: 228 total cpu time spent up to now is 124.3 secs Computing kpt #: 229 total cpu time spent up to now is 124.7 secs Computing kpt #: 230 total cpu time spent up to now is 125.2 secs Computing kpt #: 231 total cpu time spent up to now is 125.7 secs Computing kpt #: 232 total cpu time spent up to now is 126.2 secs Computing kpt #: 233 total cpu time spent up to now is 126.7 secs Computing kpt #: 234 total cpu time spent up to now is 127.1 secs Computing kpt #: 235 total cpu time spent up to now is 127.7 secs Computing kpt #: 236 total cpu time spent up to now is 128.2 secs Computing kpt #: 237 total cpu time spent up to now is 128.7 secs Computing kpt #: 238 total cpu time spent up to now is 129.2 secs Computing kpt #: 239 total cpu time spent up to now is 129.7 secs Computing kpt #: 240 total cpu time spent up to now is 130.2 secs Computing kpt #: 241 total cpu time spent up to now is 130.7 secs Computing kpt #: 242 total cpu time spent up to now is 131.2 secs Computing kpt #: 243 total cpu time spent up to now is 131.7 secs Computing kpt #: 244 total cpu time spent up to now is 132.3 secs Computing kpt #: 245 total cpu time spent up to now is 132.8 secs Computing kpt #: 246 total cpu time spent up to now is 133.3 secs Computing kpt #: 247 total cpu time spent up to now is 133.8 secs Computing kpt #: 248 total cpu time spent up to now is 134.4 secs Computing kpt #: 249 total cpu time spent up to now is 134.9 secs Computing kpt #: 250 total cpu time spent up to now is 135.4 secs Computing kpt #: 251 total cpu time spent up to now is 135.9 secs Computing kpt #: 252 total cpu time spent up to now is 136.5 secs Computing kpt #: 253 total cpu time spent up to now is 137.0 secs ethr = 2.00E-08, avg # of iterations = 20.9 total cpu time spent up to now is 137.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3959 PWs) bands (ev): -31.0899 -31.0899 -30.9822 -30.9822 -30.9822 -30.9822 -12.1790 -12.1790 -12.1790 -12.1790 -11.8856 -11.8856 -10.8503 -10.8503 -10.7803 -10.7803 -10.7803 -10.7803 -10.6245 -10.6245 -10.3444 -10.3444 -10.3444 -10.3444 -0.7205 -0.7205 -0.7205 -0.7205 1.2896 1.2896 1.4251 1.4251 1.4251 1.4251 1.4323 1.4323 4.3261 4.3261 10.6468 10.6468 10.7061 10.7061 10.7061 10.7061 10.8302 10.8302 10.8302 10.8302 11.1208 11.1208 11.1209 11.1209 11.1426 11.1426 12.3834 12.3834 13.4070 13.4070 13.4070 13.4070 k = 0.0000 0.0152-0.0000 ( 3959 PWs) bands (ev): -31.0899 -31.0899 -30.9822 -30.9822 -30.9822 -30.9822 -12.1789 -12.1789 -12.1788 -12.1788 -11.8857 -11.8857 -10.8501 -10.8501 -10.7803 -10.7803 -10.7802 -10.7802 -10.6245 -10.6245 -10.3448 -10.3448 -10.3445 -10.3445 -0.7205 -0.7205 -0.7205 -0.7205 1.2910 1.2910 1.4252 1.4252 1.4253 1.4253 1.4324 1.4324 4.3273 4.3273 10.6350 10.6350 10.6920 10.6920 10.7038 10.7038 10.8321 10.8321 10.8471 10.8471 11.1186 11.1186 11.1214 11.1214 11.1430 11.1430 12.3834 12.3834 13.3870 13.3870 13.4070 13.4070 k = 0.0000 0.0303-0.0000 ( 3943 PWs) bands (ev): -31.0897 -31.0897 -30.9824 -30.9824 -30.9821 -30.9821 -12.1789 -12.1789 -12.1783 -12.1783 -11.8861 -11.8861 -10.8497 -10.8497 -10.7802 -10.7802 -10.7798 -10.7798 -10.6247 -10.6247 -10.3458 -10.3458 -10.3449 -10.3449 -0.7204 -0.7204 -0.7203 -0.7203 1.2952 1.2952 1.4254 1.4254 1.4256 1.4256 1.4325 1.4325 4.3309 4.3309 10.5929 10.5929 10.6749 10.6749 10.6972 10.6972 10.8377 10.8377 10.8794 10.8794 11.1119 11.1119 11.1231 11.1231 11.1443 11.1443 12.3831 12.3831 13.3352 13.3352 13.4073 13.4073 k = 0.0000 0.0455-0.0000 ( 3955 PWs) bands (ev): -31.0895 -31.0895 -30.9826 -30.9826 -30.9822 -30.9822 -12.1788 -12.1788 -12.1776 -12.1776 -11.8868 -11.8868 -10.8490 -10.8490 -10.7801 -10.7801 -10.7793 -10.7793 -10.6250 -10.6250 -10.3476 -10.3476 -10.3455 -10.3455 -0.7202 -0.7202 -0.7200 -0.7200 1.3021 1.3021 1.4256 1.4256 1.4261 1.4261 1.4328 1.4328 4.3370 4.3370 10.5284 10.5284 10.6636 10.6636 10.6865 10.6865 10.8472 10.8472 10.9099 10.9099 11.1011 11.1011 11.1258 11.1258 11.1463 11.1463 12.3817 12.3817 13.2676 13.2676 13.4081 13.4081 k = 0.0000 0.0606-0.0000 ( 3959 PWs) bands (ev): -31.0891 -31.0891 -30.9830 -30.9830 -30.9821 -30.9821 -12.1787 -12.1787 -12.1765 -12.1765 -11.8877 -11.8877 -10.8480 -10.8480 -10.7800 -10.7800 -10.7786 -10.7786 -10.6253 -10.6253 -10.3500 -10.3500 -10.3463 -10.3463 -0.7200 -0.7200 -0.7196 -0.7196 1.3118 1.3118 1.4260 1.4260 1.4269 1.4269 1.4331 1.4331 4.3455 4.3455 10.4525 10.4525 10.6526 10.6526 10.6722 10.6722 10.8604 10.8604 10.9325 10.9325 11.0868 11.0868 11.1292 11.1292 11.1486 11.1486 12.3776 12.3776 13.1983 13.1983 13.4100 13.4100 k = 0.0000 0.0758-0.0000 ( 3967 PWs) bands (ev): -31.0886 -31.0886 -30.9835 -30.9835 -30.9822 -30.9822 -12.1785 -12.1785 -12.1751 -12.1751 -11.8889 -11.8889 -10.8468 -10.8468 -10.7799 -10.7799 -10.7777 -10.7777 -10.6258 -10.6258 -10.3531 -10.3531 -10.3473 -10.3473 -0.7198 -0.7198 -0.7191 -0.7191 1.3241 1.3241 1.4264 1.4264 1.4279 1.4279 1.4336 1.4336 4.3563 4.3563 10.3695 10.3695 10.6402 10.6402 10.6549 10.6549 10.8773 10.8773 10.9435 10.9435 11.0702 11.0702 11.1331 11.1331 11.1512 11.1512 12.3695 12.3695 13.1372 13.1372 13.4133 13.4133 k = 0.0000 0.0909-0.0000 ( 3971 PWs) bands (ev): -31.0880 -31.0880 -30.9841 -30.9841 -30.9821 -30.9821 -12.1784 -12.1784 -12.1734 -12.1734 -11.8904 -11.8904 -10.8454 -10.8454 -10.7796 -10.7796 -10.7766 -10.7766 -10.6264 -10.6264 -10.3569 -10.3569 -10.3485 -10.3485 -0.7195 -0.7195 -0.7184 -0.7184 1.3390 1.3390 1.4269 1.4269 1.4291 1.4291 1.4341 1.4341 4.3694 4.3694 10.2811 10.2811 10.6260 10.6260 10.6351 10.6351 10.8979 10.8979 10.9400 10.9400 11.0530 11.0530 11.1365 11.1365 11.1543 11.1543 12.3564 12.3564 13.0906 13.0906 13.4189 13.4189 k = 0.0000 0.1061-0.0000 ( 3975 PWs) bands (ev): -31.0873 -31.0873 -30.9848 -30.9848 -30.9821 -30.9821 -12.1782 -12.1782 -12.1714 -12.1714 -11.8921 -11.8921 -10.8437 -10.8437 -10.7792 -10.7792 -10.7752 -10.7752 -10.6271 -10.6271 -10.3613 -10.3613 -10.3500 -10.3500 -0.7191 -0.7191 -0.7177 -0.7177 1.3565 1.3565 1.4276 1.4276 1.4305 1.4305 1.4347 1.4347 4.3848 4.3848 10.1883 10.1883 10.6100 10.6100 10.6133 10.6133 10.9199 10.9199 10.9221 10.9221 11.0359 11.0359 11.1385 11.1385 11.1588 11.1588 12.3388 12.3388 13.0620 13.0620 13.4272 13.4272 k = 0.0000 0.1212-0.0000 ( 3983 PWs) bands (ev): -31.0865 -31.0865 -30.9856 -30.9856 -30.9821 -30.9821 -12.1779 -12.1779 -12.1692 -12.1692 -11.8940 -11.8940 -10.8420 -10.8420 -10.7786 -10.7786 -10.7737 -10.7737 -10.6279 -10.6279 -10.3663 -10.3663 -10.3516 -10.3516 -0.7187 -0.7187 -0.7169 -0.7169 1.3763 1.3763 1.4282 1.4282 1.4320 1.4320 1.4355 1.4355 4.4023 4.4023 10.0922 10.0922 10.5901 10.5901 10.5922 10.5922 10.8840 10.8840 10.9498 10.9498 11.0177 11.0177 11.1380 11.1380 11.1650 11.1650 12.3189 12.3189 13.0517 13.0517 13.4386 13.4386 k = 0.0000 0.1364-0.0000 ( 3996 PWs) bands (ev): -31.0856 -31.0856 -30.9865 -30.9865 -30.9821 -30.9821 -12.1777 -12.1777 -12.1666 -12.1666 -11.8963 -11.8963 -10.8400 -10.8400 -10.7778 -10.7778 -10.7720 -10.7720 -10.6289 -10.6289 -10.3720 -10.3720 -10.3534 -10.3534 -0.7183 -0.7183 -0.7160 -0.7160 1.3983 1.3983 1.4290 1.4290 1.4337 1.4337 1.4363 1.4363 4.4220 4.4220 9.9935 9.9935 10.5659 10.5659 10.5727 10.5727 10.8343 10.8343 10.9810 10.9810 10.9967 10.9967 11.1350 11.1350 11.1730 11.1730 12.3002 12.3002 13.0581 13.0581 13.4536 13.4536 k = 0.0000 0.1515-0.0000 ( 3996 PWs) bands (ev): -31.0847 -31.0847 -30.9875 -30.9875 -30.9821 -30.9821 -12.1774 -12.1774 -12.1638 -12.1638 -11.8987 -11.8987 -10.8381 -10.8381 -10.7768 -10.7768 -10.7701 -10.7701 -10.6299 -10.6299 -10.3782 -10.3782 -10.3554 -10.3554 -0.7178 -0.7178 -0.7150 -0.7150 1.4225 1.4225 1.4297 1.4297 1.4357 1.4357 1.4372 1.4372 4.4436 4.4436 9.8930 9.8930 10.5411 10.5411 10.5512 10.5512 10.7726 10.7726 10.9722 10.9722 11.0152 11.0152 11.1300 11.1300 11.1824 11.1824 12.2857 12.2857 13.0783 13.0783 13.4724 13.4724 k = 0.0000 0.1667-0.0000 ( 3988 PWs) bands (ev): -31.0836 -31.0836 -30.9885 -30.9885 -30.9821 -30.9821 -12.1771 -12.1771 -12.1607 -12.1607 -11.9014 -11.9014 -10.8361 -10.8361 -10.7753 -10.7753 -10.7680 -10.7680 -10.6311 -10.6311 -10.3850 -10.3850 -10.3575 -10.3575 -0.7173 -0.7173 -0.7139 -0.7139 1.4306 1.4306 1.4373 1.4373 1.4382 1.4382 1.4491 1.4491 4.4670 4.4670 9.7913 9.7913 10.5159 10.5159 10.5269 10.5269 10.7011 10.7011 10.9446 10.9446 11.0517 11.0517 11.1236 11.1236 11.1929 11.1929 12.2780 12.2780 13.1095 13.1095 13.4952 13.4952 k = 0.0000 0.1818-0.0000 ( 3992 PWs) bands (ev): -31.0824 -31.0824 -30.9897 -30.9897 -30.9821 -30.9821 -12.1767 -12.1767 -12.1573 -12.1573 -11.9044 -11.9044 -10.8342 -10.8342 -10.7735 -10.7735 -10.7657 -10.7657 -10.6323 -10.6323 -10.3924 -10.3924 -10.3597 -10.3597 -0.7167 -0.7167 -0.7128 -0.7128 1.4314 1.4314 1.4393 1.4393 1.4396 1.4396 1.4770 1.4770 4.4922 4.4922 9.6892 9.6892 10.4907 10.4907 10.4964 10.4964 10.6246 10.6246 10.9146 10.9146 11.0855 11.0855 11.1209 11.1209 11.2047 11.2047 12.2781 12.2781 13.1494 13.1494 13.5219 13.5219 k = 0.0000 0.1970-0.0000 ( 3996 PWs) bands (ev): -31.0812 -31.0812 -30.9909 -30.9909 -30.9821 -30.9821 -12.1764 -12.1764 -12.1537 -12.1537 -11.9076 -11.9076 -10.8324 -10.8324 -10.7712 -10.7712 -10.7633 -10.7633 -10.6337 -10.6337 -10.4003 -10.4003 -10.3621 -10.3621 -0.7161 -0.7161 -0.7116 -0.7116 1.4323 1.4323 1.4404 1.4404 1.4418 1.4418 1.5066 1.5066 4.5189 4.5189 9.5873 9.5873 10.4494 10.4494 10.4657 10.4657 10.5555 10.5555 10.8833 10.8833 11.0920 11.0920 11.1462 11.1462 11.2178 11.2178 12.2863 12.2863 13.1959 13.1959 13.5526 13.5526 k = 0.0000 0.2121-0.0000 ( 4004 PWs) bands (ev): -31.0798 -31.0798 -30.9923 -30.9923 -30.9821 -30.9821 -12.1760 -12.1760 -12.1499 -12.1499 -11.9110 -11.9110 -10.8308 -10.8308 -10.7683 -10.7683 -10.7607 -10.7607 -10.6352 -10.6352 -10.4086 -10.4086 -10.3645 -10.3645 -0.7155 -0.7155 -0.7104 -0.7104 1.4332 1.4332 1.4416 1.4416 1.4440 1.4440 1.5376 1.5376 4.5471 4.5471 9.4863 9.4863 10.3727 10.3727 10.4411 10.4411 10.5088 10.5088 10.8512 10.8512 11.0815 11.0815 11.1878 11.1878 11.2339 11.2339 12.3020 12.3020 13.2476 13.2476 13.5869 13.5869 k = 0.0000 0.2273-0.0000 ( 4004 PWs) bands (ev): -31.0784 -31.0784 -30.9937 -30.9937 -30.9820 -30.9820 -12.1757 -12.1757 -12.1458 -12.1458 -11.9146 -11.9146 -10.8295 -10.8295 -10.7649 -10.7649 -10.7579 -10.7579 -10.6369 -10.6369 -10.4174 -10.4174 -10.3670 -10.3670 -0.7149 -0.7149 -0.7091 -0.7091 1.4341 1.4341 1.4429 1.4429 1.4464 1.4464 1.5698 1.5698 4.5764 4.5764 9.3869 9.3869 10.2752 10.2752 10.4170 10.4170 10.4779 10.4779 10.8189 10.8189 11.0675 11.0675 11.2245 11.2245 11.2601 11.2601 12.3247 12.3247 13.3033 13.3033 13.6248 13.6248 k = 0.0000 0.2424-0.0000 ( 4012 PWs) bands (ev): -31.0770 -31.0770 -30.9951 -30.9951 -30.9820 -30.9820 -12.1753 -12.1753 -12.1415 -12.1415 -11.9185 -11.9185 -10.8283 -10.8283 -10.7608 -10.7608 -10.7550 -10.7550 -10.6386 -10.6386 -10.4267 -10.4267 -10.3696 -10.3696 -0.7143 -0.7143 -0.7079 -0.7079 1.4350 1.4350 1.4441 1.4441 1.4487 1.4487 1.6030 1.6030 4.6068 4.6068 9.2896 9.2896 10.1685 10.1685 10.3937 10.3937 10.4531 10.4531 10.7868 10.7868 11.0519 11.0519 11.2466 11.2466 11.3048 11.3048 12.3535 12.3535 13.3621 13.3621 13.6659 13.6659 k = 0.0000 0.2576-0.0000 ( 4012 PWs) bands (ev): -31.0754 -31.0754 -30.9967 -30.9967 -30.9820 -30.9820 -12.1750 -12.1750 -12.1371 -12.1371 -11.9225 -11.9225 -10.8275 -10.8275 -10.7561 -10.7561 -10.7519 -10.7519 -10.6405 -10.6405 -10.4363 -10.4363 -10.3722 -10.3722 -0.7137 -0.7137 -0.7066 -0.7066 1.4358 1.4358 1.4454 1.4454 1.4511 1.4511 1.6367 1.6367 4.6379 4.6379 9.1951 9.1951 10.0577 10.0577 10.3712 10.3712 10.4308 10.4308 10.7553 10.7553 11.0352 11.0352 11.2629 11.2629 11.3582 11.3582 12.3876 12.3876 13.4231 13.4231 13.7098 13.7098 k = 0.0000 0.2727-0.0000 ( 4004 PWs) bands (ev): -31.0739 -31.0739 -30.9982 -30.9982 -30.9820 -30.9820 -12.1746 -12.1746 -12.1325 -12.1325 -11.9267 -11.9267 -10.8268 -10.8268 -10.7508 -10.7508 -10.7487 -10.7487 -10.6425 -10.6425 -10.4462 -10.4462 -10.3748 -10.3748 -0.7131 -0.7131 -0.7054 -0.7054 1.4367 1.4367 1.4467 1.4467 1.4534 1.4534 1.6709 1.6709 4.6696 4.6696 9.1040 9.1040 9.9455 9.9455 10.3497 10.3497 10.4102 10.4102 10.7247 10.7247 11.0180 11.0180 11.2780 11.2780 11.4154 11.4154 12.4263 12.4263 13.4857 13.4857 13.7561 13.7561 k = 0.0000 0.2879-0.0000 ( 4004 PWs) bands (ev): -31.0722 -31.0722 -30.9999 -30.9999 -30.9820 -30.9820 -12.1742 -12.1742 -12.1277 -12.1277 -11.9310 -11.9310 -10.8264 -10.8264 -10.7454 -10.7454 -10.7448 -10.7448 -10.6446 -10.6446 -10.4565 -10.4565 -10.3773 -10.3773 -0.7125 -0.7125 -0.7041 -0.7041 1.4375 1.4375 1.4480 1.4480 1.4557 1.4557 1.7051 1.7051 4.7015 4.7015 9.0169 9.0169 9.8335 9.8335 10.3292 10.3292 10.3909 10.3909 10.6951 10.6951 11.0004 11.0004 11.2927 11.2927 11.4751 11.4751 12.4690 12.4690 13.5493 13.5493 13.8045 13.8045 k = 0.0000 0.3030-0.0000 ( 4012 PWs) bands (ev): -31.0706 -31.0706 -31.0015 -31.0015 -30.9820 -30.9820 -12.1739 -12.1739 -12.1228 -12.1228 -11.9355 -11.9355 -10.8262 -10.8262 -10.7420 -10.7420 -10.7383 -10.7383 -10.6469 -10.6469 -10.4671 -10.4671 -10.3799 -10.3799 -0.7119 -0.7119 -0.7029 -0.7029 1.4383 1.4383 1.4493 1.4493 1.4580 1.4580 1.7391 1.7391 4.7334 4.7334 8.9342 8.9342 9.7231 9.7231 10.3099 10.3099 10.3727 10.3727 10.6669 10.6669 10.9829 10.9829 11.3071 11.3071 11.5365 11.5365 12.5150 12.5150 13.6134 13.6134 13.8542 13.8542 k = 0.0000 0.3182-0.0000 ( 4028 PWs) bands (ev): -31.0689 -31.0689 -31.0032 -31.0032 -30.9820 -30.9820 -12.1736 -12.1736 -12.1178 -12.1178 -11.9401 -11.9401 -10.8261 -10.8261 -10.7384 -10.7384 -10.7313 -10.7313 -10.6493 -10.6493 -10.4780 -10.4780 -10.3823 -10.3823 -0.7113 -0.7113 -0.7017 -0.7017 1.4391 1.4391 1.4505 1.4505 1.4602 1.4602 1.7725 1.7725 4.7649 4.7649 8.8567 8.8567 9.6153 9.6153 10.2918 10.2918 10.3557 10.3557 10.6401 10.6401 10.9655 10.9655 11.3213 11.3213 11.5993 11.5993 12.5638 12.5638 13.6773 13.6773 13.9045 13.9045 k = 0.0000 0.3333-0.0000 ( 4028 PWs) bands (ev): -31.0672 -31.0672 -31.0049 -31.0049 -30.9820 -30.9820 -12.1733 -12.1733 -12.1127 -12.1127 -11.9448 -11.9448 -10.8262 -10.8262 -10.7348 -10.7348 -10.7237 -10.7237 -10.6518 -10.6518 -10.4890 -10.4890 -10.3847 -10.3847 -0.7108 -0.7108 -0.7006 -0.7006 1.4398 1.4398 1.4517 1.4517 1.4622 1.4622 1.8049 1.8049 4.7957 4.7957 8.7846 8.7846 9.5111 9.5111 10.2750 10.2750 10.3399 10.3399 10.6150 10.6150 10.9487 10.9487 11.3350 11.3350 11.6628 11.6628 12.6149 12.6149 13.7405 13.7405 13.9478 13.9478 k = 0.0000 0.3485-0.0000 ( 4032 PWs) bands (ev): -31.0655 -31.0655 -31.0066 -31.0066 -30.9820 -30.9820 -12.1730 -12.1730 -12.1077 -12.1077 -11.9495 -11.9495 -10.8263 -10.8263 -10.7311 -10.7311 -10.7157 -10.7157 -10.6544 -10.6544 -10.5002 -10.5002 -10.3869 -10.3869 -0.7103 -0.7103 -0.6995 -0.6995 1.4405 1.4405 1.4528 1.4528 1.4642 1.4642 1.8361 1.8361 4.8254 4.8254 8.7186 8.7186 9.4113 9.4113 10.2595 10.2595 10.3252 10.3252 10.5916 10.5916 10.9327 10.9327 11.3483 11.3483 11.7263 11.7263 12.6677 12.6677 13.8025 13.8025 13.9283 13.9283 k = 0.0000 0.3636-0.0000 ( 4032 PWs) bands (ev): -31.0638 -31.0638 -31.0083 -31.0083 -30.9819 -30.9819 -12.1727 -12.1727 -12.1026 -12.1026 -11.9542 -11.9542 -10.8265 -10.8265 -10.7274 -10.7274 -10.7073 -10.7073 -10.6571 -10.6571 -10.5116 -10.5116 -10.3891 -10.3891 -0.7098 -0.7098 -0.6985 -0.6985 1.4412 1.4412 1.4539 1.4539 1.4661 1.4661 1.8657 1.8657 4.8538 4.8538 8.6589 8.6589 9.3169 9.3169 10.2453 10.2453 10.3119 10.3119 10.5702 10.5702 10.9175 10.9175 11.3609 11.3609 11.7892 11.7892 12.7215 12.7215 13.8625 13.8625 13.8975 13.8975 k = 0.0000 0.3788-0.0000 ( 4032 PWs) bands (ev): -31.0621 -31.0621 -31.0100 -31.0100 -30.9819 -30.9819 -12.1724 -12.1724 -12.0977 -12.0977 -11.9589 -11.9589 -10.8267 -10.8267 -10.7236 -10.7236 -10.6984 -10.6984 -10.6599 -10.6599 -10.5231 -10.5231 -10.3910 -10.3910 -0.7093 -0.7093 -0.6976 -0.6976 1.4418 1.4418 1.4548 1.4548 1.4678 1.4678 1.8934 1.8934 4.8804 4.8804 8.6060 8.6060 9.2287 9.2287 10.2326 10.2326 10.2998 10.2998 10.5507 10.5507 10.9035 10.9035 11.3727 11.3727 11.8507 11.8507 12.7755 12.7755 13.8684 13.8684 13.9200 13.9200 k = 0.0000 0.3939-0.0000 ( 4040 PWs) bands (ev): -31.0605 -31.0605 -31.0116 -31.0116 -30.9819 -30.9819 -12.1722 -12.1722 -12.0928 -12.0928 -11.9635 -11.9635 -10.8270 -10.8270 -10.7199 -10.7199 -10.6892 -10.6892 -10.6629 -10.6629 -10.5347 -10.5347 -10.3928 -10.3928 -0.7089 -0.7089 -0.6968 -0.6968 1.4423 1.4423 1.4557 1.4557 1.4693 1.4693 1.9187 1.9187 4.9050 4.9050 8.5599 8.5599 9.1475 9.1475 10.2213 10.2213 10.2891 10.2891 10.5333 10.5333 10.8908 10.8908 11.3836 11.3836 11.9096 11.9096 12.8289 12.8289 13.8419 13.8419 13.9741 13.9741 k = 0.0000 0.4091-0.0000 ( 4036 PWs) bands (ev): -31.0590 -31.0590 -31.0131 -31.0131 -30.9819 -30.9819 -12.1720 -12.1720 -12.0883 -12.0883 -11.9678 -11.9678 -10.8272 -10.8272 -10.7162 -10.7162 -10.6796 -10.6796 -10.6658 -10.6658 -10.5464 -10.5464 -10.3943 -10.3943 -0.7086 -0.7086 -0.6961 -0.6961 1.4428 1.4428 1.4565 1.4565 1.4707 1.4707 1.9414 1.9414 4.9270 4.9270 8.5209 8.5209 9.0741 9.0741 10.2114 10.2114 10.2797 10.2797 10.5180 10.5180 10.8795 10.8795 11.3934 11.3934 11.9649 11.9649 12.8807 12.8807 13.8183 13.8183 14.0240 14.0240 k = 0.0000 0.4242-0.0000 ( 4028 PWs) bands (ev): -31.0576 -31.0576 -31.0144 -31.0144 -30.9819 -30.9819 -12.1718 -12.1718 -12.0840 -12.0840 -11.9718 -11.9718 -10.8275 -10.8275 -10.7125 -10.7125 -10.6697 -10.6697 -10.6688 -10.6688 -10.5580 -10.5580 -10.3957 -10.3957 -0.7082 -0.7082 -0.6954 -0.6954 1.4432 1.4432 1.4572 1.4572 1.4718 1.4718 1.9612 1.9612 4.9463 4.9463 8.4888 8.4888 9.0095 9.0095 10.2030 10.2030 10.2717 10.2717 10.5050 10.5050 10.8697 10.8697 11.4019 11.4019 12.0152 12.0152 12.9294 12.9294 13.7980 13.7980 14.0688 14.0688 k = 0.0000 0.4394-0.0000 ( 4036 PWs) bands (ev): -31.0564 -31.0564 -31.0157 -31.0157 -30.9819 -30.9819 -12.1716 -12.1716 -12.0802 -12.0802 -11.9754 -11.9754 -10.8277 -10.8277 -10.7090 -10.7090 -10.6717 -10.6717 -10.6595 -10.6595 -10.5696 -10.5696 -10.3968 -10.3968 -0.7080 -0.7080 -0.6949 -0.6949 1.4435 1.4435 1.4578 1.4578 1.4728 1.4728 1.9778 1.9778 4.9625 4.9625 8.4634 8.4634 8.9547 8.9547 10.1962 10.1962 10.2651 10.2651 10.4943 10.4943 10.8616 10.8616 11.4091 11.4091 12.0592 12.0592 12.9735 12.9735 13.7810 13.7810 14.1074 14.1074 k = 0.0000 0.4545-0.0000 ( 4024 PWs) bands (ev): -31.0554 -31.0554 -31.0167 -31.0167 -30.9819 -30.9819 -12.1715 -12.1715 -12.0770 -12.0770 -11.9785 -11.9785 -10.8279 -10.8279 -10.7058 -10.7058 -10.6745 -10.6745 -10.6491 -10.6491 -10.5811 -10.5811 -10.3977 -10.3977 -0.7078 -0.7078 -0.6945 -0.6945 1.4438 1.4438 1.4582 1.4582 1.4736 1.4736 1.9909 1.9909 4.9754 4.9754 8.4444 8.4444 8.9106 8.9106 10.1908 10.1908 10.2600 10.2600 10.4859 10.4859 10.8552 10.8552 11.4148 11.4148 12.0955 12.0955 13.0110 13.0110 13.7676 13.7676 14.1389 14.1389 k = 0.0000 0.4697-0.0000 ( 4032 PWs) bands (ev): -31.0546 -31.0546 -31.0174 -31.0174 -30.9819 -30.9819 -12.1715 -12.1715 -12.0746 -12.0746 -11.9808 -11.9808 -10.8280 -10.8280 -10.7031 -10.7031 -10.6769 -10.6769 -10.6385 -10.6385 -10.5925 -10.5925 -10.3984 -10.3984 -0.7077 -0.7077 -0.6942 -0.6942 1.4440 1.4440 1.4586 1.4586 1.4742 1.4742 2.0005 2.0005 4.9848 4.9848 8.4314 8.4314 8.8782 8.8782 10.1870 10.1870 10.2564 10.2564 10.4799 10.4799 10.8506 10.8506 11.4189 11.4189 12.1225 12.1225 13.0400 13.0400 13.7580 13.7580 14.1622 14.1622 k = 0.0000 0.4848-0.0000 ( 4032 PWs) bands (ev): -31.0542 -31.0542 -31.0179 -31.0179 -30.9819 -30.9819 -12.1714 -12.1714 -12.0731 -12.0731 -11.9823 -11.9823 -10.8281 -10.8281 -10.7011 -10.7011 -10.6787 -10.6787 -10.6280 -10.6280 -10.6034 -10.6034 -10.3988 -10.3988 -0.7076 -0.7076 -0.6940 -0.6940 1.4441 1.4441 1.4588 1.4588 1.4745 1.4745 2.0063 2.0063 4.9905 4.9905 8.4238 8.4238 8.8584 8.8584 10.1847 10.1847 10.2541 10.2541 10.4763 10.4763 10.8478 10.8478 11.4215 11.4215 12.1393 12.1393 13.0583 13.0583 13.7521 13.7521 14.1765 14.1765 k = 0.0000 0.5000-0.0000 ( 4068 PWs) bands (ev): -31.0540 -31.0540 -31.0181 -31.0181 -30.9819 -30.9819 -12.1714 -12.1714 -12.0726 -12.0726 -11.9828 -11.9828 -10.8281 -10.8281 -10.7005 -10.7005 -10.6793 -10.6793 -10.6209 -10.6209 -10.6108 -10.6108 -10.3989 -10.3989 -0.7076 -0.7076 -0.6940 -0.6940 1.4441 1.4441 1.4588 1.4588 1.4746 1.4746 2.0082 2.0082 4.9924 4.9924 8.4213 8.4213 8.8517 8.8517 10.1839 10.1839 10.2534 10.2534 10.4751 10.4751 10.8468 10.8468 11.4223 11.4223 12.1449 12.1449 13.0646 13.0646 13.7501 13.7501 14.1878 14.1879 k = 0.0000 0.5000-0.0000 ( 4068 PWs) bands (ev): -31.0540 -31.0540 -31.0181 -31.0181 -30.9819 -30.9819 -12.1714 -12.1714 -12.0726 -12.0726 -11.9828 -11.9828 -10.8281 -10.8281 -10.7005 -10.7005 -10.6793 -10.6793 -10.6209 -10.6209 -10.6108 -10.6108 -10.3989 -10.3989 -0.7076 -0.7076 -0.6940 -0.6940 1.4441 1.4441 1.4588 1.4588 1.4746 1.4746 2.0082 2.0082 4.9924 4.9924 8.4213 8.4213 8.8517 8.8517 10.1839 10.1839 10.2534 10.2534 10.4751 10.4751 10.8468 10.8468 11.4223 11.4223 12.1449 12.1449 13.0646 13.0646 13.7501 13.7501 14.1879 14.1879 k = 0.0152 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0540 -31.0540 -31.0181 -31.0181 -30.9819 -30.9819 -12.1713 -12.1713 -12.0727 -12.0727 -11.9829 -11.9829 -10.8281 -10.8281 -10.7015 -10.7015 -10.6785 -10.6785 -10.6218 -10.6218 -10.6096 -10.6096 -10.3989 -10.3989 -0.7075 -0.7075 -0.6939 -0.6939 1.4442 1.4442 1.4588 1.4588 1.4746 1.4746 2.0096 2.0096 4.9931 4.9931 8.4223 8.4223 8.8492 8.8492 10.1806 10.1806 10.2499 10.2499 10.4743 10.4743 10.8459 10.8459 11.4263 11.4263 12.1457 12.1457 13.0650 13.0650 13.7420 13.7420 14.1633 14.1633 k = 0.0303 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0538 -31.0538 -31.0181 -31.0181 -30.9821 -30.9821 -12.1711 -12.1711 -12.0729 -12.0729 -11.9833 -11.9833 -10.8281 -10.8281 -10.7043 -10.7043 -10.6764 -10.6764 -10.6237 -10.6237 -10.6068 -10.6068 -10.3990 -10.3990 -0.7074 -0.7074 -0.6939 -0.6939 1.4444 1.4444 1.4587 1.4587 1.4747 1.4747 2.0136 2.0136 4.9952 4.9952 8.4253 8.4253 8.8418 8.8418 10.1705 10.1705 10.2396 10.2396 10.4719 10.4719 10.8430 10.8430 11.4380 11.4380 12.1478 12.1478 13.0661 13.0661 13.7192 13.7192 14.1467 14.1467 k = 0.0455 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0536 -31.0536 -31.0180 -31.0180 -30.9823 -30.9823 -12.1707 -12.1707 -12.0732 -12.0732 -11.9839 -11.9839 -10.8280 -10.8280 -10.7081 -10.7081 -10.6738 -10.6738 -10.6257 -10.6257 -10.6033 -10.6033 -10.3992 -10.3992 -0.7073 -0.7073 -0.6940 -0.6940 1.4447 1.4447 1.4585 1.4585 1.4747 1.4747 2.0204 2.0204 4.9987 4.9987 8.4301 8.4301 8.8296 8.8296 10.1536 10.1536 10.2233 10.2233 10.4679 10.4679 10.8380 10.8380 11.4571 11.4571 12.1515 12.1515 13.0678 13.0678 13.6857 13.6857 14.1346 14.1346 k = 0.0606 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0534 -31.0534 -31.0180 -31.0180 -30.9825 -30.9825 -12.1701 -12.1701 -12.0736 -12.0736 -11.9848 -11.9848 -10.8279 -10.8279 -10.7124 -10.7124 -10.6713 -10.6713 -10.6273 -10.6273 -10.5996 -10.5996 -10.3993 -10.3993 -0.7071 -0.7071 -0.6940 -0.6940 1.4451 1.4451 1.4583 1.4583 1.4748 1.4748 2.0299 2.0299 5.0036 5.0036 8.4367 8.4367 8.8129 8.8129 10.1296 10.1296 10.2023 10.2023 10.4621 10.4621 10.8311 10.8311 11.4832 11.4832 12.1570 12.1570 13.0701 13.0701 13.6453 13.6453 14.1278 14.1278 k = 0.0758 0.5000-0.0000 ( 4030 PWs) bands (ev): -31.0530 -31.0530 -31.0180 -31.0180 -30.9829 -30.9829 -12.1694 -12.1694 -12.0742 -12.0742 -11.9860 -11.9860 -10.8278 -10.8278 -10.7171 -10.7171 -10.6692 -10.6692 -10.6282 -10.6282 -10.5957 -10.5957 -10.3996 -10.3996 -0.7069 -0.7069 -0.6940 -0.6940 1.4456 1.4456 1.4581 1.4581 1.4750 1.4750 2.0419 2.0419 5.0099 5.0099 8.4447 8.4447 8.7919 8.7919 10.0984 10.0984 10.1779 10.1779 10.4545 10.4545 10.8222 10.8222 11.5156 11.5156 12.1643 12.1643 13.0726 13.0726 13.6010 13.6010 14.1273 14.1273 k = 0.0909 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0525 -31.0525 -31.0180 -31.0180 -30.9833 -30.9833 -12.1685 -12.1685 -12.0749 -12.0749 -11.9874 -11.9874 -10.8277 -10.8277 -10.7220 -10.7220 -10.6678 -10.6678 -10.6284 -10.6284 -10.5917 -10.5917 -10.3998 -10.3998 -0.7066 -0.7066 -0.6941 -0.6941 1.4462 1.4462 1.4578 1.4578 1.4752 1.4752 2.0565 2.0565 5.0175 5.0175 8.4539 8.4539 8.7669 8.7669 10.0603 10.0603 10.1513 10.1513 10.4448 10.4448 10.8114 10.8114 11.5537 11.5537 12.1738 12.1738 13.0752 13.0752 13.5547 13.5547 14.1338 14.1338 k = 0.1061 0.5000-0.0000 ( 4030 PWs) bands (ev): -31.0520 -31.0520 -31.0180 -31.0180 -30.9839 -30.9839 -12.1675 -12.1675 -12.0757 -12.0757 -11.9890 -11.9890 -10.8275 -10.8275 -10.7269 -10.7269 -10.6671 -10.6671 -10.6277 -10.6277 -10.5878 -10.5878 -10.4001 -10.4001 -0.7063 -0.7063 -0.6942 -0.6942 1.4469 1.4469 1.4575 1.4575 1.4754 1.4754 2.0735 2.0735 5.0264 5.0264 8.4636 8.4636 8.7385 8.7385 10.0160 10.0160 10.1234 10.1234 10.4331 10.4331 10.7987 10.7987 11.5969 11.5969 12.1856 12.1856 13.0775 13.0775 13.5079 13.5079 14.1476 14.1476 k = 0.1212 0.5000-0.0000 ( 4034 PWs) bands (ev): -31.0514 -31.0514 -31.0180 -31.0180 -30.9845 -30.9845 -12.1663 -12.1663 -12.0766 -12.0766 -11.9909 -11.9909 -10.8273 -10.8273 -10.7319 -10.7319 -10.6671 -10.6671 -10.6261 -10.6261 -10.5839 -10.5839 -10.4003 -10.4003 -0.7060 -0.7060 -0.6942 -0.6942 1.4476 1.4476 1.4571 1.4571 1.4757 1.4757 2.0929 2.0929 5.0366 5.0366 8.4734 8.4734 8.7070 8.7070 9.9669 9.9669 10.0946 10.0946 10.4191 10.4191 10.7843 10.7843 11.6443 11.6443 12.2000 12.2000 13.0794 13.0794 13.4614 13.4614 14.1683 14.1683 k = 0.1364 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0507 -31.0507 -31.0180 -31.0180 -30.9851 -30.9851 -12.1649 -12.1649 -12.0776 -12.0776 -11.9930 -11.9930 -10.8270 -10.8270 -10.7369 -10.7369 -10.6677 -10.6677 -10.6240 -10.6240 -10.5801 -10.5801 -10.4005 -10.4005 -0.7056 -0.7056 -0.6943 -0.6943 1.4483 1.4483 1.4568 1.4568 1.4760 1.4760 2.1145 2.1145 5.0479 5.0479 8.4824 8.4824 8.6732 8.6732 9.9144 9.9144 10.0652 10.0652 10.4030 10.4030 10.7683 10.7683 11.6956 11.6956 12.2171 12.2171 13.0804 13.0804 13.4158 13.4158 14.1770 14.1770 k = 0.1515 0.5000-0.0000 ( 4020 PWs) bands (ev): -31.0500 -31.0500 -31.0180 -31.0180 -30.9859 -30.9859 -12.1634 -12.1634 -12.0787 -12.0787 -11.9953 -11.9953 -10.8266 -10.8266 -10.7418 -10.7418 -10.6688 -10.6688 -10.6213 -10.6213 -10.5764 -10.5764 -10.4007 -10.4007 -0.7051 -0.7051 -0.6944 -0.6944 1.4490 1.4490 1.4566 1.4566 1.4764 1.4764 2.1383 2.1383 5.0604 5.0604 8.4892 8.4892 8.6380 8.6380 9.8602 9.8602 10.0355 10.0355 10.3845 10.3845 10.7512 10.7512 11.7501 11.7501 12.2370 12.2370 13.0804 13.0804 13.3716 13.3716 14.1351 14.1351 k = 0.1667 0.5000-0.0000 ( 4020 PWs) bands (ev): -31.0491 -31.0491 -31.0180 -31.0180 -30.9867 -30.9867 -12.1618 -12.1618 -12.0799 -12.0799 -11.9979 -11.9979 -10.8261 -10.8261 -10.7468 -10.7468 -10.6701 -10.6701 -10.6185 -10.6185 -10.5729 -10.5729 -10.4008 -10.4008 -0.7047 -0.7047 -0.6945 -0.6945 1.4496 1.4496 1.4565 1.4565 1.4768 1.4768 2.1640 2.1640 5.0740 5.0740 8.4917 8.4917 8.6030 8.6030 9.8059 9.8059 10.0058 10.0058 10.3639 10.3639 10.7332 10.7332 11.8074 11.8074 12.2598 12.2598 13.0791 13.0791 13.3291 13.3291 14.0920 14.0920 k = 0.1818 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.0482 -31.0482 -31.0179 -31.0179 -30.9876 -30.9876 -12.1600 -12.1600 -12.0811 -12.0811 -12.0006 -12.0006 -10.8256 -10.8256 -10.7516 -10.7516 -10.6716 -10.6716 -10.6155 -10.6155 -10.5695 -10.5695 -10.4008 -10.4008 -0.7042 -0.7042 -0.6945 -0.6945 1.4500 1.4500 1.4566 1.4566 1.4774 1.4774 2.1915 2.1915 5.0886 5.0886 8.4861 8.4861 8.5713 8.5713 9.7534 9.7534 9.9763 9.9763 10.3411 10.3411 10.7145 10.7145 11.8669 11.8669 12.2853 12.2853 13.0762 13.0762 13.2886 13.2886 14.0500 14.0500 k = 0.1970 0.5000-0.0000 ( 4018 PWs) bands (ev): -31.0473 -31.0473 -31.0179 -31.0179 -30.9885 -30.9885 -12.1581 -12.1581 -12.0823 -12.0823 -12.0035 -12.0035 -10.8250 -10.8250 -10.7563 -10.7563 -10.6731 -10.6731 -10.6125 -10.6125 -10.5664 -10.5664 -10.4007 -10.4007 -0.7037 -0.7037 -0.6946 -0.6946 1.4502 1.4502 1.4569 1.4569 1.4779 1.4779 2.2206 2.2206 5.1042 5.1042 8.4675 8.4675 8.5471 8.5471 9.7045 9.7045 9.9472 9.9472 10.3165 10.3165 10.6956 10.6956 11.9282 11.9282 12.3135 12.3135 13.0717 13.0717 13.2500 13.2500 14.0099 14.0099 k = 0.2121 0.5000-0.0000 ( 4018 PWs) bands (ev): -31.0462 -31.0462 -31.0179 -31.0179 -30.9895 -30.9895 -12.1560 -12.1560 -12.0836 -12.0836 -12.0066 -12.0066 -10.8243 -10.8243 -10.7609 -10.7609 -10.6747 -10.6747 -10.6096 -10.6096 -10.5633 -10.5633 -10.4005 -10.4005 -0.7031 -0.7031 -0.6947 -0.6947 1.4501 1.4501 1.4574 1.4574 1.4785 1.4785 2.2512 2.2512 5.1205 5.1205 8.4361 8.4361 8.5293 8.5293 9.6610 9.6610 9.9187 9.9187 10.2901 10.2901 10.6767 10.6767 11.9911 11.9911 12.3443 12.3443 13.0654 13.0654 13.2137 13.2137 13.9721 13.9721 k = 0.2273 0.5000-0.0000 ( 4018 PWs) bands (ev): -31.0451 -31.0451 -31.0179 -31.0179 -30.9906 -30.9906 -12.1538 -12.1538 -12.0850 -12.0850 -12.0099 -12.0099 -10.8235 -10.8235 -10.7654 -10.7654 -10.6763 -10.6763 -10.6069 -10.6069 -10.5605 -10.5605 -10.4002 -10.4002 -0.7026 -0.7026 -0.6948 -0.6948 1.4498 1.4498 1.4582 1.4582 1.4792 1.4792 2.2830 2.2830 5.1376 5.1376 8.3974 8.3974 8.5117 8.5117 9.6244 9.6244 9.8910 9.8910 10.2625 10.2625 10.6581 10.6581 12.0550 12.0550 12.3775 12.3775 13.0574 13.0574 13.1796 13.1796 13.9368 13.9368 k = 0.2424 0.5000-0.0000 ( 4018 PWs) bands (ev): -31.0440 -31.0440 -31.0179 -31.0179 -30.9918 -30.9918 -12.1515 -12.1515 -12.0863 -12.0863 -12.0133 -12.0133 -10.8226 -10.8226 -10.7697 -10.7697 -10.6779 -10.6779 -10.6044 -10.6044 -10.5578 -10.5578 -10.3998 -10.3998 -0.7021 -0.7021 -0.6949 -0.6949 1.4494 1.4494 1.4590 1.4590 1.4799 1.4799 2.3157 2.3157 5.1552 5.1552 8.3556 8.3556 8.4896 8.4896 9.5960 9.5960 9.8642 9.8642 10.2340 10.2340 10.6399 10.6399 12.1197 12.1197 12.4128 12.4128 13.0477 13.0477 13.1478 13.1478 13.9041 13.9041 k = 0.2576 0.5000-0.0000 ( 4024 PWs) bands (ev): -31.0427 -31.0427 -31.0179 -31.0179 -30.9930 -30.9930 -12.1490 -12.1490 -12.0877 -12.0877 -12.0169 -12.0169 -10.8216 -10.8216 -10.7739 -10.7739 -10.6794 -10.6794 -10.6022 -10.6022 -10.5552 -10.5552 -10.3993 -10.3993 -0.7015 -0.7015 -0.6950 -0.6950 1.4489 1.4489 1.4599 1.4599 1.4807 1.4807 2.3492 2.3492 5.1733 5.1733 8.3125 8.3125 8.4614 8.4614 9.5764 9.5764 9.8385 9.8385 10.2051 10.2051 10.6224 10.6224 12.1847 12.1847 12.4500 12.4500 13.0366 13.0366 13.1182 13.1182 13.8738 13.8738 k = 0.2727 0.5000-0.0000 ( 4024 PWs) bands (ev): -31.0415 -31.0415 -31.0178 -31.0178 -30.9942 -30.9942 -12.1464 -12.1464 -12.0890 -12.0890 -12.0206 -12.0206 -10.8205 -10.8205 -10.7778 -10.7778 -10.6809 -10.6809 -10.6002 -10.6002 -10.5528 -10.5528 -10.3987 -10.3987 -0.7010 -0.7010 -0.6952 -0.6952 1.4484 1.4484 1.4608 1.4608 1.4815 1.4815 2.3831 2.3831 5.1918 5.1918 8.2691 8.2691 8.4267 8.4267 9.5656 9.5656 9.8140 9.8140 10.1763 10.1763 10.6056 10.6056 12.2497 12.2497 12.4888 12.4888 13.0244 13.0244 13.0908 13.0908 13.8453 13.8453 k = 0.2879 0.5000-0.0000 ( 4028 PWs) bands (ev): -31.0401 -31.0401 -31.0178 -31.0178 -30.9955 -30.9955 -12.1437 -12.1437 -12.0903 -12.0903 -12.0244 -12.0244 -10.8194 -10.8194 -10.7816 -10.7816 -10.6823 -10.6823 -10.5986 -10.5986 -10.5505 -10.5505 -10.3979 -10.3979 -0.7005 -0.7005 -0.6953 -0.6953 1.4479 1.4479 1.4616 1.4616 1.4824 1.4824 2.4171 2.4171 5.2104 5.2104 8.2261 8.2261 8.3861 8.3861 9.5629 9.5629 9.7907 9.7907 10.1481 10.1481 10.5897 10.5897 12.3143 12.3143 12.5289 12.5289 13.0115 13.0115 13.0656 13.0656 13.8182 13.8182 k = 0.3030 0.5000-0.0000 ( 4028 PWs) bands (ev): -31.0388 -31.0388 -31.0178 -31.0178 -30.9969 -30.9969 -12.1409 -12.1409 -12.0915 -12.0915 -12.0283 -12.0283 -10.8182 -10.8182 -10.7851 -10.7851 -10.6837 -10.6837 -10.5974 -10.5974 -10.5483 -10.5483 -10.3971 -10.3971 -0.6999 -0.6999 -0.6954 -0.6954 1.4473 1.4473 1.4624 1.4624 1.4833 1.4833 2.4510 2.4510 5.2290 5.2290 8.1838 8.1838 8.3407 8.3407 9.5672 9.5672 9.7687 9.7687 10.1211 10.1211 10.5748 10.5748 12.3781 12.3781 12.5700 12.5700 12.9984 12.9984 13.0425 13.0425 13.7914 13.7914 k = 0.3182 0.5000-0.0000 ( 4028 PWs) bands (ev): -31.0373 -31.0373 -31.0178 -31.0178 -30.9983 -30.9983 -12.1380 -12.1380 -12.0927 -12.0927 -12.0323 -12.0323 -10.8170 -10.8170 -10.7884 -10.7884 -10.6850 -10.6850 -10.5964 -10.5964 -10.5462 -10.5462 -10.3963 -10.3963 -0.6994 -0.6994 -0.6955 -0.6955 1.4468 1.4468 1.4632 1.4632 1.4842 1.4842 2.4844 2.4844 5.2474 5.2474 8.1428 8.1428 8.2920 8.2920 9.5769 9.5769 9.7482 9.7482 10.0959 10.0959 10.5609 10.5609 12.4407 12.4407 12.6115 12.6115 12.9854 12.9854 13.0216 13.0216 13.7642 13.7642 k = 0.3333 0.5000-0.0000 ( 4020 PWs) bands (ev): -31.0358 -31.0358 -31.0178 -31.0178 -30.9998 -30.9998 -12.1351 -12.1351 -12.0938 -12.0938 -12.0363 -12.0363 -10.8157 -10.8157 -10.7915 -10.7915 -10.6861 -10.6861 -10.5957 -10.5957 -10.5441 -10.5441 -10.3954 -10.3954 -0.6989 -0.6989 -0.6956 -0.6956 1.4463 1.4463 1.4639 1.4639 1.4851 1.4851 2.5169 2.5169 5.2654 5.2654 8.1033 8.1033 8.2415 8.2415 9.5904 9.5904 9.7291 9.7291 10.0731 10.0731 10.5481 10.5481 12.5015 12.5015 12.6530 12.6530 12.9730 12.9730 13.0029 13.0029 13.7354 13.7354 k = 0.3485 0.5000-0.0000 ( 4030 PWs) bands (ev): -31.0343 -31.0343 -31.0178 -31.0178 -31.0013 -31.0013 -12.1320 -12.1320 -12.0949 -12.0949 -12.0404 -12.0404 -10.8145 -10.8145 -10.7943 -10.7943 -10.6873 -10.6873 -10.5953 -10.5953 -10.5422 -10.5422 -10.3944 -10.3944 -0.6985 -0.6985 -0.6957 -0.6957 1.4458 1.4458 1.4646 1.4646 1.4860 1.4860 2.5483 2.5483 5.2828 5.2828 8.0657 8.0657 8.1907 8.1907 9.6061 9.6061 9.7116 9.7116 10.0531 10.0531 10.5365 10.5365 12.5602 12.5602 12.6941 12.6941 12.9612 12.9612 12.9866 12.9866 13.7041 13.7041 k = 0.3636 0.5000-0.0000 ( 4030 PWs) bands (ev): -31.0328 -31.0328 -31.0178 -31.0178 -31.0028 -31.0028 -12.1290 -12.1290 -12.0958 -12.0958 -12.0444 -12.0444 -10.8132 -10.8132 -10.7969 -10.7969 -10.6883 -10.6883 -10.5951 -10.5951 -10.5404 -10.5404 -10.3935 -10.3935 -0.6981 -0.6981 -0.6957 -0.6957 1.4453 1.4453 1.4652 1.4652 1.4868 1.4868 2.5781 2.5781 5.2995 5.2995 8.0301 8.0301 8.1411 8.1411 9.6223 9.6223 9.6957 9.6957 10.0366 10.0366 10.5261 10.5261 12.6161 12.6161 12.7342 12.7342 12.9503 12.9503 12.9730 12.9730 13.6698 13.6698 k = 0.3788 0.5000-0.0000 ( 4022 PWs) bands (ev): -31.0312 -31.0312 -31.0177 -31.0177 -31.0044 -31.0044 -12.1259 -12.1259 -12.0966 -12.0966 -12.0485 -12.0485 -10.8121 -10.8121 -10.7992 -10.7992 -10.6893 -10.6893 -10.5951 -10.5951 -10.5388 -10.5388 -10.3926 -10.3926 -0.6977 -0.6977 -0.6958 -0.6958 1.4449 1.4449 1.4657 1.4657 1.4876 1.4876 2.6061 2.6061 5.3151 5.3151 7.9970 7.9970 8.0938 8.0938 9.6377 9.6377 9.6814 9.6814 10.0238 10.0238 10.5169 10.5169 12.6687 12.6687 12.7726 12.7726 12.9400 12.9400 12.9626 12.9626 13.6324 13.6324 k = 0.3939 0.5000-0.0000 ( 4026 PWs) bands (ev): -31.0296 -31.0296 -31.0177 -31.0177 -31.0060 -31.0060 -12.1229 -12.1229 -12.0972 -12.0972 -12.0525 -12.0525 -10.8109 -10.8109 -10.8013 -10.8013 -10.6901 -10.6901 -10.5953 -10.5953 -10.5373 -10.5373 -10.3918 -10.3918 -0.6973 -0.6973 -0.6959 -0.6959 1.4445 1.4445 1.4661 1.4661 1.4884 1.4884 2.6317 2.6317 5.3296 5.3296 7.9665 7.9665 8.0502 8.0502 9.6509 9.6509 9.6690 9.6690 10.0150 10.0150 10.5090 10.5090 12.7173 12.7173 12.8085 12.8085 12.9302 12.9302 12.9557 12.9557 13.5924 13.5924 k = 0.4091 0.5000-0.0000 ( 4020 PWs) bands (ev): -31.0279 -31.0279 -31.0177 -31.0177 -31.0076 -31.0076 -12.1200 -12.1200 -12.0976 -12.0976 -12.0564 -12.0564 -10.8100 -10.8100 -10.8030 -10.8030 -10.6909 -10.6909 -10.5955 -10.5955 -10.5359 -10.5359 -10.3910 -10.3910 -0.6970 -0.6970 -0.6960 -0.6960 1.4441 1.4441 1.4665 1.4665 1.4891 1.4891 2.6548 2.6548 5.3426 5.3426 7.9388 7.9388 8.0111 8.0111 9.6555 9.6555 9.6643 9.6643 10.0099 10.0099 10.5023 10.5023 12.7613 12.7613 12.8411 12.8411 12.9212 12.9212 12.9524 12.9524 13.5510 13.5510 k = 0.4242 0.5000-0.0000 ( 4022 PWs) bands (ev): -31.0263 -31.0263 -31.0177 -31.0177 -31.0093 -31.0093 -12.1173 -12.1173 -12.0978 -12.0978 -12.0601 -12.0601 -10.8091 -10.8091 -10.8045 -10.8045 -10.6915 -10.6915 -10.5958 -10.5958 -10.5348 -10.5348 -10.3903 -10.3903 -0.6967 -0.6967 -0.6960 -0.6960 1.4438 1.4438 1.4669 1.4669 1.4897 1.4897 2.6749 2.6749 5.3540 5.3540 7.9142 7.9142 7.9774 7.9774 9.6473 9.6473 9.6714 9.6714 10.0081 10.0081 10.4969 10.4969 12.8001 12.8001 12.8693 12.8693 12.9134 12.9134 12.9525 12.9525 13.5102 13.5102 k = 0.4394 0.5000-0.0000 ( 4030 PWs) bands (ev): -31.0246 -31.0246 -31.0177 -31.0177 -31.0110 -31.0110 -12.1149 -12.1149 -12.0977 -12.0977 -12.0636 -12.0636 -10.8086 -10.8086 -10.8055 -10.8055 -10.6921 -10.6921 -10.5961 -10.5961 -10.5338 -10.5338 -10.3898 -10.3898 -0.6965 -0.6965 -0.6961 -0.6961 1.4436 1.4436 1.4671 1.4671 1.4902 1.4902 2.6918 2.6918 5.3636 5.3636 7.8928 7.8928 7.9497 7.9497 9.6397 9.6397 9.6770 9.6770 10.0085 10.0085 10.4926 10.4926 12.8328 12.8328 12.8918 12.8918 12.9070 12.9070 12.9559 12.9559 13.4722 13.4722 k = 0.4545 0.5000-0.0000 ( 4034 PWs) bands (ev): -31.0229 -31.0229 -31.0177 -31.0177 -31.0127 -31.0127 -12.1129 -12.1129 -12.0973 -12.0973 -12.0668 -12.0668 -10.8085 -10.8085 -10.8059 -10.8059 -10.6925 -10.6925 -10.5963 -10.5963 -10.5330 -10.5330 -10.3893 -10.3893 -0.6964 -0.6964 -0.6961 -0.6961 1.4434 1.4434 1.4673 1.4673 1.4906 1.4906 2.7052 2.7052 5.3712 5.3712 7.8753 7.8753 7.9284 7.9284 9.6337 9.6337 9.6805 9.6805 10.0103 10.0103 10.4894 10.4894 12.8589 12.8589 12.9011 12.9011 12.9093 12.9093 12.9620 12.9620 13.4392 13.4392 k = 0.4697 0.5000-0.0000 ( 4032 PWs) bands (ev): -31.0212 -31.0212 -31.0177 -31.0177 -31.0143 -31.0143 -12.1116 -12.1116 -12.0967 -12.0967 -12.0693 -12.0693 -10.8087 -10.8087 -10.8060 -10.8060 -10.6929 -10.6929 -10.5965 -10.5965 -10.5325 -10.5325 -10.3890 -10.3890 -0.6962 -0.6962 -0.6961 -0.6961 1.4433 1.4433 1.4675 1.4675 1.4909 1.4909 2.7150 2.7150 5.3768 5.3768 7.8621 7.8621 7.9134 7.9134 9.6294 9.6294 9.6826 9.6826 10.0124 10.0124 10.4872 10.4872 12.8775 12.8775 12.8984 12.8984 12.9194 12.9194 12.9691 12.9691 13.4136 13.4136 k = 0.4848 0.5000-0.0000 ( 4020 PWs) bands (ev): -31.0195 -31.0195 -31.0177 -31.0177 -31.0161 -31.0161 -12.1107 -12.1107 -12.0962 -12.0962 -12.0710 -12.0710 -10.8089 -10.8089 -10.8058 -10.8058 -10.6930 -10.6930 -10.5967 -10.5967 -10.5321 -10.5321 -10.3887 -10.3887 -0.6962 -0.6962 -0.6961 -0.6961 1.4432 1.4432 1.4676 1.4676 1.4911 1.4911 2.7209 2.7209 5.3802 5.3802 7.8539 7.8539 7.9045 7.9045 9.6268 9.6268 9.6836 9.6836 10.0140 10.0140 10.4860 10.4860 12.8874 12.8874 12.8980 12.8980 12.9251 12.9251 12.9746 12.9746 13.3973 13.3973 k = 0.5000 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.0179 -31.0179 -31.0177 -31.0177 -31.0177 -31.0177 -12.1105 -12.1105 -12.0959 -12.0959 -12.0716 -12.0716 -10.8090 -10.8090 -10.8058 -10.8058 -10.6931 -10.6931 -10.5967 -10.5967 -10.5320 -10.5320 -10.3887 -10.3887 -0.6962 -0.6962 -0.6961 -0.6961 1.4432 1.4432 1.4676 1.4676 1.4911 1.4911 2.7229 2.7229 5.3813 5.3813 7.8511 7.8511 7.9016 7.9016 9.6259 9.6259 9.6839 9.6839 10.0146 10.0146 10.4855 10.4855 12.8895 12.8895 12.8991 12.8991 12.9270 12.9270 12.9766 12.9766 13.3917 13.3917 k = 0.5000 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.0179 -31.0179 -31.0177 -31.0177 -31.0177 -31.0177 -12.1105 -12.1105 -12.0959 -12.0959 -12.0716 -12.0716 -10.8090 -10.8090 -10.8058 -10.8058 -10.6931 -10.6931 -10.5967 -10.5967 -10.5320 -10.5320 -10.3887 -10.3887 -0.6962 -0.6962 -0.6961 -0.6961 1.4432 1.4432 1.4676 1.4676 1.4911 1.4911 2.7229 2.7229 5.3813 5.3813 7.8511 7.8511 7.9016 7.9016 9.6259 9.6259 9.6839 9.6839 10.0146 10.0146 10.4855 10.4855 12.8895 12.8895 12.8991 12.8991 12.9270 12.9270 12.9766 12.9766 13.3917 13.3917 k = 0.4891 0.4891-0.0000 ( 4020 PWs) bands (ev): -31.0195 -31.0195 -31.0177 -31.0177 -31.0160 -31.0160 -12.1107 -12.1107 -12.0962 -12.0962 -12.0710 -12.0710 -10.8089 -10.8089 -10.8059 -10.8059 -10.6930 -10.6930 -10.5966 -10.5966 -10.5321 -10.5321 -10.3887 -10.3887 -0.6962 -0.6962 -0.6961 -0.6961 1.4432 1.4432 1.4676 1.4676 1.4911 1.4911 2.7208 2.7208 5.3801 5.3801 7.8540 7.8540 7.9046 7.9046 9.6268 9.6268 9.6836 9.6836 10.0140 10.0140 10.4860 10.4860 12.8874 12.8874 12.8979 12.8979 12.9250 12.9250 12.9746 12.9746 13.3975 13.3975 k = 0.4783 0.4783-0.0000 ( 4036 PWs) bands (ev): -31.0213 -31.0213 -31.0175 -31.0175 -31.0144 -31.0144 -12.1115 -12.1115 -12.0968 -12.0968 -12.0692 -12.0692 -10.8086 -10.8086 -10.8060 -10.8060 -10.6929 -10.6929 -10.5965 -10.5965 -10.5325 -10.5325 -10.3890 -10.3890 -0.6962 -0.6962 -0.6961 -0.6961 1.4433 1.4433 1.4675 1.4675 1.4909 1.4909 2.7147 2.7147 5.3767 5.3767 7.8625 7.8625 7.9137 7.9137 9.6295 9.6295 9.6826 9.6826 10.0123 10.0123 10.4873 10.4873 12.8783 12.8783 12.8972 12.8972 12.9173 12.9173 12.9706 12.9706 13.4146 13.4146 k = 0.4674 0.4674-0.0000 ( 4036 PWs) bands (ev): -31.0232 -31.0232 -31.0173 -31.0173 -31.0128 -31.0128 -12.1128 -12.1128 -12.0977 -12.0977 -12.0665 -12.0665 -10.8081 -10.8081 -10.8063 -10.8063 -10.6926 -10.6926 -10.5962 -10.5962 -10.5331 -10.5331 -10.3893 -10.3893 -0.6964 -0.6964 -0.6961 -0.6961 1.4434 1.4434 1.4673 1.4673 1.4906 1.4906 2.7046 2.7046 5.3709 5.3709 7.8763 7.8763 7.9292 7.9292 9.6339 9.6339 9.6809 9.6809 10.0098 10.0098 10.4895 10.4895 12.8609 12.8609 12.8985 12.8985 12.9007 12.9007 12.9686 12.9686 13.4421 13.4421 k = 0.4565 0.4565-0.0000 ( 4030 PWs) bands (ev): -31.0251 -31.0251 -31.0170 -31.0170 -31.0112 -31.0112 -12.1145 -12.1145 -12.0987 -12.0987 -12.0630 -12.0630 -10.8075 -10.8075 -10.8066 -10.8066 -10.6922 -10.6922 -10.5958 -10.5958 -10.5340 -10.5340 -10.3897 -10.3897 -0.6965 -0.6965 -0.6961 -0.6961 1.4436 1.4436 1.4671 1.4671 1.4901 1.4901 2.6906 2.6906 5.3628 5.3628 7.8952 7.8952 7.9511 7.9511 9.6401 9.6401 9.6783 9.6783 10.0071 10.0071 10.4927 10.4927 12.8364 12.8364 12.8741 12.8741 12.9013 12.9013 12.9704 12.9704 13.4791 13.4791 k = 0.4457 0.4457-0.0000 ( 4022 PWs) bands (ev): -31.0270 -31.0270 -31.0167 -31.0167 -31.0096 -31.0096 -12.1165 -12.1165 -12.0997 -12.0997 -12.0590 -12.0590 -10.8072 -10.8072 -10.8065 -10.8065 -10.6918 -10.6918 -10.5952 -10.5952 -10.5352 -10.5352 -10.3902 -10.3902 -0.6968 -0.6968 -0.6960 -0.6960 1.4438 1.4438 1.4669 1.4669 1.4896 1.4896 2.6727 2.6727 5.3525 5.3525 7.9186 7.9186 7.9797 7.9797 9.6480 9.6480 9.6746 9.6746 10.0049 10.0049 10.4969 10.4969 12.8056 12.8056 12.8394 12.8394 12.9049 12.9049 12.9754 12.9754 13.5244 13.5244 k = 0.4348 0.4348-0.0000 ( 4024 PWs) bands (ev): -31.0289 -31.0289 -31.0162 -31.0162 -31.0081 -31.0081 -12.1186 -12.1186 -12.1007 -12.1007 -12.0546 -12.0546 -10.8076 -10.8076 -10.8055 -10.8055 -10.6914 -10.6914 -10.5943 -10.5943 -10.5367 -10.5367 -10.3907 -10.3907 -0.6971 -0.6971 -0.6960 -0.6960 1.4441 1.4441 1.4665 1.4665 1.4889 1.4889 2.6512 2.6512 5.3401 5.3401 7.9462 7.9462 8.0150 8.0150 9.6575 9.6575 9.6698 9.6698 10.0040 10.0040 10.5021 10.5021 12.7691 12.7691 12.7982 12.7982 12.9094 12.9094 12.9828 12.9828 13.5766 13.5766 k = 0.4239 0.4239-0.0000 ( 4020 PWs) bands (ev): -31.0309 -31.0309 -31.0157 -31.0157 -31.0067 -31.0067 -12.1210 -12.1210 -12.1017 -12.1017 -12.0498 -12.0498 -10.8082 -10.8082 -10.8043 -10.8043 -10.6911 -10.6911 -10.5931 -10.5931 -10.5386 -10.5386 -10.3911 -10.3911 -0.6974 -0.6974 -0.6960 -0.6960 1.4443 1.4443 1.4662 1.4662 1.4881 1.4881 2.6262 2.6262 5.3256 5.3256 7.9779 7.9779 8.0568 8.0568 9.6624 9.6624 9.6701 9.6701 10.0050 10.0050 10.5086 10.5086 12.7276 12.7276 12.7519 12.7519 12.9147 12.9147 12.9921 12.9921 13.6343 13.6343 k = 0.4130 0.4130-0.0000 ( 4024 PWs) bands (ev): -31.0329 -31.0329 -31.0151 -31.0151 -31.0053 -31.0053 -12.1234 -12.1234 -12.1028 -12.1028 -12.0447 -12.0447 -10.8088 -10.8088 -10.8030 -10.8030 -10.6910 -10.6910 -10.5915 -10.5915 -10.5408 -10.5408 -10.3915 -10.3915 -0.6978 -0.6978 -0.6959 -0.6959 1.4446 1.4446 1.4658 1.4658 1.4872 1.4872 2.5980 2.5980 5.3090 5.3090 8.0136 8.0136 8.1049 8.1049 9.6555 9.6555 9.6827 9.6827 10.0086 10.0086 10.5162 10.5162 12.6815 12.6815 12.7016 12.7016 12.9209 12.9209 13.0030 13.0030 13.6958 13.6958 k = 0.4022 0.4022-0.0000 ( 4016 PWs) bands (ev): -31.0350 -31.0350 -31.0145 -31.0145 -31.0039 -31.0039 -12.1258 -12.1258 -12.1040 -12.1040 -12.0394 -12.0394 -10.8095 -10.8095 -10.8015 -10.8015 -10.6910 -10.6910 -10.5895 -10.5895 -10.5435 -10.5435 -10.3917 -10.3917 -0.6982 -0.6982 -0.6959 -0.6959 1.4449 1.4449 1.4653 1.4653 1.4862 1.4862 2.5667 2.5667 5.2905 5.2905 8.0532 8.0532 8.1588 8.1588 9.6474 9.6474 9.6974 9.6974 10.0152 10.0152 10.5250 10.5250 12.6314 12.6314 12.6482 12.6482 12.9278 12.9278 13.0154 13.0154 13.7590 13.7590 k = 0.3913 0.3913-0.0000 ( 4016 PWs) bands (ev): -31.0370 -31.0370 -31.0137 -31.0137 -31.0026 -31.0026 -12.1282 -12.1282 -12.1052 -12.1052 -12.0339 -12.0339 -10.8101 -10.8101 -10.7999 -10.7999 -10.6913 -10.6913 -10.5871 -10.5871 -10.5464 -10.5464 -10.3918 -10.3918 -0.6987 -0.6987 -0.6960 -0.6960 1.4451 1.4451 1.4648 1.4648 1.4851 1.4851 2.5325 2.5325 5.2700 5.2700 8.0967 8.0967 8.2182 8.2182 9.6389 9.6389 9.7138 9.7138 10.0249 10.0249 10.5350 10.5350 12.5777 12.5777 12.5928 12.5928 12.9355 12.9355 13.0290 13.0290 13.8210 13.8210 k = 0.3804 0.3804-0.0000 ( 4032 PWs) bands (ev): -31.0391 -31.0391 -31.0129 -31.0129 -31.0014 -31.0014 -12.1306 -12.1306 -12.1065 -12.1065 -12.0282 -12.0282 -10.8108 -10.8108 -10.7982 -10.7982 -10.6918 -10.6918 -10.5844 -10.5844 -10.5497 -10.5497 -10.3917 -10.3917 -0.6992 -0.6992 -0.6960 -0.6960 1.4453 1.4453 1.4642 1.4642 1.4839 1.4839 2.4958 2.4958 5.2477 5.2477 8.1440 8.1440 8.2828 8.2828 9.6306 9.6306 9.7319 9.7319 10.0379 10.0379 10.5462 10.5462 12.5207 12.5207 12.5358 12.5358 12.9439 12.9439 13.0436 13.0436 13.8783 13.8783 k = 0.3696 0.3696-0.0000 ( 4038 PWs) bands (ev): -31.0412 -31.0412 -31.0121 -31.0121 -31.0002 -31.0002 -12.1330 -12.1330 -12.1080 -12.1080 -12.0224 -12.0224 -10.8115 -10.8115 -10.7965 -10.7965 -10.6927 -10.6927 -10.5814 -10.5814 -10.5530 -10.5530 -10.3914 -10.3914 -0.6998 -0.6998 -0.6961 -0.6961 1.4455 1.4455 1.4636 1.4636 1.4825 1.4825 2.4567 2.4567 5.2236 5.2236 8.1949 8.1949 8.3521 8.3521 9.6232 9.6232 9.7515 9.7515 10.0541 10.0541 10.5585 10.5585 12.4613 12.4613 12.4777 12.4777 12.9529 12.9529 13.0591 13.0591 13.9261 13.9261 k = 0.3587 0.3587-0.0000 ( 4042 PWs) bands (ev): -31.0433 -31.0433 -31.0112 -31.0112 -30.9990 -30.9990 -12.1354 -12.1354 -12.1095 -12.1095 -12.0164 -12.0164 -10.8122 -10.8122 -10.7947 -10.7947 -10.6938 -10.6938 -10.5787 -10.5787 -10.5558 -10.5558 -10.3909 -10.3909 -0.7004 -0.7004 -0.6963 -0.6963 1.4456 1.4456 1.4630 1.4630 1.4811 1.4811 2.4156 2.4156 5.1979 5.1979 8.2495 8.2495 8.4259 8.4259 9.6175 9.6175 9.7728 9.7728 10.0734 10.0734 10.5721 10.5721 12.4002 12.4002 12.4188 12.4188 12.9626 12.9626 13.0753 13.0753 13.9581 13.9581 k = 0.3478 0.3478-0.0000 ( 4036 PWs) bands (ev): -31.0454 -31.0454 -31.0102 -31.0102 -30.9979 -30.9979 -12.1377 -12.1377 -12.1112 -12.1112 -12.0104 -12.0104 -10.8129 -10.8129 -10.7928 -10.7928 -10.6952 -10.6952 -10.5771 -10.5771 -10.5572 -10.5572 -10.3901 -10.3901 -0.7010 -0.7010 -0.6964 -0.6964 1.4456 1.4456 1.4623 1.4623 1.4796 1.4796 2.3726 2.3726 5.1705 5.1705 8.3075 8.3075 8.5038 8.5038 9.6139 9.6139 9.7955 9.7955 10.0956 10.0956 10.5867 10.5867 12.3380 12.3380 12.3591 12.3591 12.9728 12.9728 13.0919 13.0919 13.9678 13.9678 k = 0.3370 0.3370-0.0000 ( 4028 PWs) bands (ev): -31.0475 -31.0475 -31.0092 -31.0092 -30.9968 -30.9968 -12.1400 -12.1400 -12.1130 -12.1130 -12.0042 -12.0042 -10.8135 -10.8135 -10.7910 -10.7910 -10.6969 -10.6969 -10.5780 -10.5780 -10.5559 -10.5559 -10.3891 -10.3891 -0.7017 -0.7017 -0.6967 -0.6967 1.4456 1.4456 1.4616 1.4616 1.4780 1.4780 2.3281 2.3281 5.1415 5.1415 8.3688 8.3688 8.5856 8.5856 9.6131 9.6131 9.8197 9.8197 10.1207 10.1207 10.6024 10.6024 12.2752 12.2752 12.2989 12.2989 12.9835 12.9835 13.1088 13.1088 13.9509 13.9509 k = 0.3261 0.3261-0.0000 ( 4020 PWs) bands (ev): -31.0496 -31.0496 -31.0082 -31.0082 -30.9958 -30.9958 -12.1422 -12.1422 -12.1149 -12.1149 -11.9980 -11.9980 -10.8142 -10.8142 -10.7892 -10.7892 -10.6990 -10.6990 -10.5812 -10.5812 -10.5520 -10.5520 -10.3879 -10.3879 -0.7024 -0.7024 -0.6970 -0.6970 1.4455 1.4455 1.4608 1.4608 1.4763 1.4763 2.2823 2.2823 5.1112 5.1112 8.4332 8.4332 8.6709 8.6709 9.6155 9.6155 9.8454 9.8454 10.1484 10.1484 10.6191 10.6191 12.2122 12.2122 12.2384 12.2384 12.9944 12.9944 13.1257 13.1257 13.9076 13.9076 k = 0.3152 0.3152-0.0000 ( 4022 PWs) bands (ev): -31.0517 -31.0517 -31.0071 -31.0071 -30.9948 -30.9948 -12.1444 -12.1444 -12.1169 -12.1169 -11.9918 -11.9918 -10.8148 -10.8148 -10.7874 -10.7874 -10.7012 -10.7012 -10.5855 -10.5855 -10.5465 -10.5465 -10.3866 -10.3866 -0.7031 -0.7031 -0.6974 -0.6974 1.4452 1.4452 1.4600 1.4600 1.4746 1.4746 2.2354 2.2354 5.0795 5.0795 8.5005 8.5005 8.7595 8.7595 9.6214 9.6214 9.8725 9.8725 10.1787 10.1787 10.6368 10.6368 12.1492 12.1492 12.1780 12.1780 13.0053 13.0053 13.1424 13.1424 13.8428 13.8428 k = 0.3043 0.3043-0.0000 ( 4036 PWs) bands (ev): -31.0538 -31.0538 -31.0059 -31.0059 -30.9939 -30.9939 -12.1465 -12.1465 -12.1190 -12.1190 -11.9857 -11.9857 -10.8155 -10.8155 -10.7857 -10.7857 -10.7038 -10.7038 -10.5904 -10.5904 -10.5399 -10.5399 -10.3850 -10.3850 -0.7039 -0.7039 -0.6978 -0.6978 1.4449 1.4449 1.4591 1.4591 1.4727 1.4727 2.1878 2.1878 5.0466 5.0466 8.5705 8.5705 8.8512 8.8512 9.6311 9.6311 9.9009 9.9009 10.2113 10.2113 10.6554 10.6554 12.0866 12.0866 12.1178 12.1178 13.0161 13.0161 13.1586 13.1586 13.7630 13.7630 k = 0.2935 0.2935-0.0000 ( 4042 PWs) bands (ev): -31.0559 -31.0559 -31.0048 -31.0048 -30.9930 -30.9930 -12.1486 -12.1486 -12.1213 -12.1213 -11.9795 -11.9795 -10.8161 -10.8161 -10.7842 -10.7842 -10.7066 -10.7066 -10.5955 -10.5955 -10.5327 -10.5327 -10.3833 -10.3833 -0.7047 -0.7047 -0.6983 -0.6983 1.4445 1.4445 1.4581 1.4581 1.4708 1.4708 2.1396 2.1396 5.0126 5.0126 8.6430 8.6430 8.9456 8.9456 9.6447 9.6447 9.9306 9.9306 10.2462 10.2462 10.6748 10.6748 12.0246 12.0246 12.0581 12.0581 13.0264 13.0264 13.1742 13.1742 13.6737 13.6737 k = 0.2826 0.2826-0.0000 ( 4040 PWs) bands (ev): -31.0580 -31.0580 -31.0036 -31.0036 -30.9922 -30.9922 -12.1506 -12.1506 -12.1237 -12.1237 -11.9734 -11.9734 -10.8167 -10.8167 -10.7828 -10.7828 -10.7096 -10.7096 -10.6006 -10.6006 -10.5249 -10.5249 -10.3815 -10.3815 -0.7055 -0.7055 -0.6989 -0.6989 1.4440 1.4440 1.4571 1.4571 1.4689 1.4689 2.0911 2.0911 4.9778 4.9778 8.7179 8.7179 9.0427 9.0427 9.6624 9.6624 9.9615 9.9615 10.2832 10.2832 10.6950 10.6950 11.9634 11.9634 11.9991 11.9991 13.0357 13.0357 13.1890 13.1890 13.5794 13.5794 k = 0.2717 0.2717-0.0000 ( 4032 PWs) bands (ev): -31.0600 -31.0600 -31.0024 -31.0024 -30.9913 -30.9913 -12.1525 -12.1525 -12.1261 -12.1261 -11.9674 -11.9674 -10.8174 -10.8174 -10.7815 -10.7815 -10.7129 -10.7129 -10.6054 -10.6054 -10.5166 -10.5166 -10.3796 -10.3796 -0.7063 -0.7063 -0.6996 -0.6996 1.4434 1.4434 1.4561 1.4561 1.4669 1.4669 2.0424 2.0424 4.9422 4.9422 8.7948 8.7948 9.1420 9.1420 9.6841 9.6841 9.9936 9.9936 10.3221 10.3221 10.7158 10.7158 11.9032 11.9032 11.9410 11.9410 13.0435 13.0435 13.2027 13.2027 13.4834 13.4834 k = 0.2609 0.2609-0.0000 ( 4028 PWs) bands (ev): -31.0621 -31.0621 -31.0012 -31.0012 -30.9906 -30.9906 -12.1545 -12.1545 -12.1287 -12.1287 -11.9615 -11.9615 -10.8181 -10.8181 -10.7804 -10.7804 -10.7164 -10.7164 -10.6100 -10.6100 -10.5080 -10.5080 -10.3776 -10.3776 -0.7071 -0.7071 -0.7003 -0.7003 1.4428 1.4428 1.4549 1.4549 1.4648 1.4648 1.9939 1.9939 4.9060 4.9060 8.8735 8.8735 9.2435 9.2435 9.7098 9.7098 10.0268 10.0268 10.3629 10.3629 10.7372 10.7372 11.8440 11.8440 11.8840 11.8840 13.0485 13.0485 13.2150 13.2150 13.3888 13.3888 k = 0.2500 0.2500-0.0000 ( 4032 PWs) bands (ev): -31.0640 -31.0640 -31.0000 -31.0000 -30.9898 -30.9898 -12.1563 -12.1563 -12.1313 -12.1313 -11.9558 -11.9558 -10.8188 -10.8188 -10.7795 -10.7795 -10.7202 -10.7202 -10.6141 -10.6141 -10.4991 -10.4991 -10.3756 -10.3756 -0.7079 -0.7079 -0.7011 -0.7011 1.4421 1.4421 1.4537 1.4537 1.4627 1.4627 1.9458 1.9458 4.8695 4.8695 8.9539 8.9539 9.3467 9.3467 9.7394 9.7394 10.0610 10.0610 10.4052 10.4052 10.7591 10.7591 11.7860 11.7860 11.8282 11.8282 13.0489 13.0489 13.2231 13.2231 13.3015 13.3015 k = 0.2391 0.2391-0.0000 ( 4028 PWs) bands (ev): -31.0660 -31.0660 -30.9988 -30.9988 -30.9892 -30.9892 -12.1581 -12.1581 -12.1340 -12.1340 -11.9502 -11.9502 -10.8196 -10.8196 -10.7787 -10.7787 -10.7241 -10.7241 -10.6178 -10.6178 -10.4899 -10.4899 -10.3735 -10.3735 -0.7088 -0.7088 -0.7020 -0.7020 1.4413 1.4413 1.4525 1.4525 1.4606 1.4606 1.8981 1.8981 4.8328 4.8328 9.0357 9.0357 9.4513 9.4513 9.7728 9.7728 10.0961 10.0961 10.4490 10.4490 10.7814 10.7814 11.7294 11.7294 11.7738 11.7738 13.0400 13.0400 13.1975 13.1975 13.2566 13.2566 k = 0.2283 0.2283-0.0000 ( 4024 PWs) bands (ev): -31.0679 -31.0679 -30.9976 -30.9976 -30.9885 -30.9885 -12.1598 -12.1598 -12.1368 -12.1368 -11.9447 -11.9447 -10.8205 -10.8205 -10.7782 -10.7782 -10.7281 -10.7281 -10.6210 -10.6210 -10.4806 -10.4806 -10.3714 -10.3714 -0.7096 -0.7096 -0.7029 -0.7029 1.4405 1.4405 1.4511 1.4511 1.4584 1.4584 1.8512 1.8512 4.7961 4.7961 9.1186 9.1186 9.5570 9.5570 9.8099 9.8099 10.1320 10.1320 10.4939 10.4939 10.8039 10.8039 11.6742 11.6742 11.7210 11.7210 13.0107 13.0107 13.1425 13.1425 13.2613 13.2613 k = 0.2174 0.2174-0.0000 ( 4024 PWs) bands (ev): -31.0697 -31.0697 -30.9964 -30.9964 -30.9879 -30.9879 -12.1615 -12.1615 -12.1397 -12.1397 -11.9394 -11.9394 -10.8215 -10.8215 -10.7778 -10.7778 -10.7323 -10.7323 -10.6236 -10.6236 -10.4711 -10.4711 -10.3693 -10.3693 -0.7104 -0.7104 -0.7039 -0.7039 1.4396 1.4396 1.4497 1.4497 1.4562 1.4562 1.8053 1.8053 4.7596 4.7596 9.2024 9.2024 9.6630 9.6630 9.8507 9.8507 10.1687 10.1687 10.5396 10.5396 10.8266 10.8266 11.6206 11.6206 11.6697 11.6697 12.9534 12.9534 13.1103 13.1103 13.2718 13.2718 k = 0.2065 0.2065-0.0000 ( 4022 PWs) bands (ev): -31.0715 -31.0715 -30.9952 -30.9952 -30.9873 -30.9873 -12.1631 -12.1631 -12.1425 -12.1425 -11.9343 -11.9343 -10.8225 -10.8225 -10.7776 -10.7776 -10.7365 -10.7365 -10.6258 -10.6258 -10.4616 -10.4616 -10.3672 -10.3672 -0.7113 -0.7113 -0.7049 -0.7049 1.4387 1.4387 1.4483 1.4483 1.4541 1.4541 1.7604 1.7604 4.7235 4.7235 9.2870 9.2870 9.7680 9.7680 9.8958 9.8958 10.2060 10.2060 10.5859 10.5859 10.8493 10.8493 11.5686 11.5686 11.6203 11.6203 12.8816 12.8816 13.0928 13.0928 13.2833 13.2833 k = 0.1957 0.1957-0.0000 ( 4022 PWs) bands (ev): -31.0733 -31.0733 -30.9940 -30.9940 -30.9868 -30.9868 -12.1647 -12.1647 -12.1454 -12.1454 -11.9295 -11.9295 -10.8237 -10.8237 -10.7776 -10.7776 -10.7408 -10.7408 -10.6274 -10.6274 -10.4520 -10.4520 -10.3652 -10.3652 -0.7121 -0.7121 -0.7060 -0.7060 1.4378 1.4378 1.4468 1.4468 1.4519 1.4519 1.7168 1.7168 4.6881 4.6881 9.3720 9.3720 9.8681 9.8681 9.9483 9.9483 10.2439 10.2439 10.6322 10.6322 10.8719 10.8719 11.5183 11.5183 11.5727 11.5727 12.8075 12.8075 13.0790 13.0790 13.2950 13.2950 k = 0.1848 0.1848-0.0000 ( 4010 PWs) bands (ev): -31.0749 -31.0749 -30.9929 -30.9929 -30.9862 -30.9862 -12.1661 -12.1661 -12.1483 -12.1483 -11.9248 -11.9248 -10.8251 -10.8251 -10.7776 -10.7776 -10.7450 -10.7450 -10.6286 -10.6286 -10.4426 -10.4426 -10.3632 -10.3632 -0.7129 -0.7129 -0.7071 -0.7071 1.4369 1.4369 1.4454 1.4454 1.4497 1.4497 1.6746 1.6746 4.6534 4.6534 9.4573 9.4573 9.9511 9.9511 10.0192 10.0192 10.2823 10.2823 10.6783 10.6783 10.8943 10.8943 11.4698 11.4698 11.5271 11.5271 12.7361 12.7361 13.0654 13.0654 13.3067 13.3067 k = 0.1739 0.1739-0.0000 ( 4014 PWs) bands (ev): -31.0765 -31.0765 -30.9918 -30.9918 -30.9857 -30.9857 -12.1675 -12.1675 -12.1511 -12.1511 -11.9204 -11.9204 -10.8266 -10.8266 -10.7778 -10.7778 -10.7490 -10.7490 -10.6294 -10.6294 -10.4332 -10.4332 -10.3613 -10.3613 -0.7136 -0.7136 -0.7083 -0.7083 1.4360 1.4360 1.4439 1.4439 1.4475 1.4475 1.6340 1.6340 4.6197 4.6197 9.5427 9.5427 10.0126 10.0126 10.1117 10.1117 10.3213 10.3213 10.7233 10.7233 10.9162 10.9162 11.4232 11.4232 11.4836 11.4836 12.6694 12.6694 13.0508 13.0508 13.3182 13.3182 k = 0.1630 0.1630-0.0000 ( 4002 PWs) bands (ev): -31.0781 -31.0781 -30.9907 -30.9907 -30.9853 -30.9853 -12.1689 -12.1689 -12.1540 -12.1540 -11.9163 -11.9163 -10.8282 -10.8282 -10.7780 -10.7780 -10.7529 -10.7529 -10.6299 -10.6299 -10.4240 -10.4240 -10.3594 -10.3594 -0.7144 -0.7144 -0.7094 -0.7094 1.4350 1.4350 1.4424 1.4424 1.4453 1.4453 1.5951 1.5951 4.5872 4.5872 9.6280 9.6280 10.0664 10.0664 10.2098 10.2098 10.3617 10.3617 10.7669 10.7669 10.9376 10.9376 11.3786 11.3786 11.4424 11.4424 12.6087 12.6087 13.0355 13.0355 13.3291 13.3291 k = 0.1522 0.1522-0.0000 ( 4010 PWs) bands (ev): -31.0795 -31.0795 -30.9897 -30.9897 -30.9849 -30.9849 -12.1701 -12.1701 -12.1567 -12.1567 -11.9124 -11.9124 -10.8300 -10.8300 -10.7782 -10.7782 -10.7566 -10.7566 -10.6300 -10.6300 -10.4150 -10.4150 -10.3576 -10.3576 -0.7151 -0.7151 -0.7106 -0.7106 1.4340 1.4340 1.4409 1.4409 1.4432 1.4432 1.5581 1.5581 4.5561 4.5561 9.7129 9.7129 10.1187 10.1187 10.3037 10.3037 10.4058 10.4058 10.8083 10.8083 10.9580 10.9580 11.3361 11.3361 11.4034 11.4034 12.5547 12.5547 13.0202 13.0202 13.3394 13.3394 k = 0.1413 0.1413-0.0000 ( 3996 PWs) bands (ev): -31.0809 -31.0809 -30.9888 -30.9888 -30.9845 -30.9845 -12.1713 -12.1713 -12.1594 -12.1594 -11.9087 -11.9087 -10.8319 -10.8319 -10.7785 -10.7785 -10.7600 -10.7600 -10.6299 -10.6299 -10.4063 -10.4063 -10.3559 -10.3559 -0.7158 -0.7158 -0.7117 -0.7117 1.4330 1.4330 1.4394 1.4394 1.4412 1.4412 1.5232 1.5232 4.5264 4.5264 9.7972 9.7972 10.1706 10.1706 10.3826 10.3826 10.4613 10.4613 10.8466 10.8466 10.9774 10.9774 11.2959 11.2959 11.3667 11.3667 12.5081 12.5081 13.0060 13.0060 13.3489 13.3489 k = 0.1304 0.1304-0.0000 ( 3998 PWs) bands (ev): -31.0822 -31.0822 -30.9878 -30.9878 -30.9842 -30.9842 -12.1724 -12.1724 -12.1620 -12.1620 -11.9053 -11.9053 -10.8338 -10.8338 -10.7788 -10.7788 -10.7632 -10.7632 -10.6296 -10.6296 -10.3980 -10.3980 -10.3543 -10.3543 -0.7165 -0.7165 -0.7128 -0.7128 1.4320 1.4320 1.4378 1.4378 1.4391 1.4391 1.4906 1.4906 4.4983 4.4983 9.8808 9.8808 10.2221 10.2221 10.4379 10.4379 10.5350 10.5350 10.8810 10.8810 10.9955 10.9955 11.2582 11.2582 11.3326 11.3326 12.4694 12.4694 12.9943 12.9943 13.3575 13.3575 k = 0.1196 0.1196-0.0000 ( 3994 PWs) bands (ev): -31.0834 -31.0834 -30.9870 -30.9870 -30.9838 -30.9838 -12.1734 -12.1734 -12.1645 -12.1645 -11.9021 -11.9021 -10.8358 -10.8358 -10.7790 -10.7790 -10.7660 -10.7660 -10.6292 -10.6292 -10.3901 -10.3901 -10.3528 -10.3528 -0.7171 -0.7171 -0.7139 -0.7139 1.4309 1.4309 1.4359 1.4359 1.4368 1.4368 1.4612 1.4612 4.4720 4.4720 9.9635 9.9635 10.2732 10.2732 10.4790 10.4790 10.6155 10.6155 10.9104 10.9104 11.0119 11.0119 11.2236 11.2236 11.3009 11.3009 12.4387 12.4387 12.9866 12.9866 13.3652 13.3652 k = 0.1087 0.1087-0.0000 ( 3994 PWs) bands (ev): -31.0845 -31.0845 -30.9862 -30.9862 -30.9835 -30.9835 -12.1744 -12.1744 -12.1668 -12.1668 -11.8993 -11.8993 -10.8379 -10.8379 -10.7793 -10.7793 -10.7686 -10.7686 -10.6287 -10.6287 -10.3827 -10.3827 -10.3514 -10.3514 -0.7176 -0.7176 -0.7149 -0.7149 1.4248 1.4248 1.4311 1.4311 1.4349 1.4349 1.4417 1.4417 4.4475 4.4475 10.0450 10.0450 10.3235 10.3235 10.5144 10.5144 10.6924 10.6924 10.9339 10.9339 11.0263 11.0263 11.1926 11.1926 11.2719 11.2719 12.4158 12.4158 12.9850 12.9850 13.3719 13.3719 k = 0.0978 0.0978-0.0000 ( 3990 PWs) bands (ev): -31.0855 -31.0855 -30.9854 -30.9854 -30.9833 -30.9833 -12.1753 -12.1753 -12.1690 -12.1690 -11.8967 -11.8967 -10.8399 -10.8399 -10.7795 -10.7795 -10.7709 -10.7709 -10.6281 -10.6281 -10.3758 -10.3758 -10.3501 -10.3501 -0.7182 -0.7182 -0.7159 -0.7159 1.4024 1.4024 1.4297 1.4297 1.4332 1.4332 1.4376 1.4376 4.4251 4.4251 10.1251 10.1251 10.3729 10.3729 10.5463 10.5463 10.7613 10.7613 10.9506 10.9506 11.0380 11.0380 11.1664 11.1664 11.2455 11.2455 12.4002 12.4002 12.9916 12.9916 13.3780 13.3780 k = 0.0870 0.0870-0.0000 ( 3988 PWs) bands (ev): -31.0864 -31.0864 -30.9848 -30.9848 -30.9830 -30.9830 -12.1760 -12.1760 -12.1710 -12.1710 -11.8944 -11.8944 -10.8418 -10.8418 -10.7797 -10.7797 -10.7730 -10.7730 -10.6275 -10.6275 -10.3695 -10.3695 -10.3489 -10.3489 -0.7186 -0.7186 -0.7168 -0.7168 1.3796 1.3796 1.4288 1.4288 1.4316 1.4316 1.4361 1.4361 4.4048 4.4048 10.2035 10.2035 10.4210 10.4210 10.5753 10.5753 10.8191 10.8191 10.9600 10.9600 11.0464 11.0464 11.1465 11.1465 11.2219 11.2219 12.3907 12.3907 13.0084 13.0084 13.3833 13.3833 k = 0.0761 0.0761-0.0000 ( 3988 PWs) bands (ev): -31.0872 -31.0872 -30.9842 -30.9842 -30.9828 -30.9828 -12.1767 -12.1767 -12.1728 -12.1728 -11.8923 -11.8923 -10.8436 -10.8436 -10.7798 -10.7798 -10.7747 -10.7747 -10.6269 -10.6269 -10.3638 -10.3638 -10.3479 -10.3479 -0.7191 -0.7191 -0.7176 -0.7176 1.3589 1.3589 1.4280 1.4280 1.4302 1.4302 1.4350 1.4350 4.3866 4.3866 10.2797 10.2797 10.4675 10.4675 10.6016 10.6016 10.8624 10.8624 10.9622 10.9622 11.0519 11.0519 11.1343 11.1343 11.2011 11.2011 12.3858 12.3858 13.0372 13.0372 13.3881 13.3881 k = 0.0652 0.0652-0.0000 ( 3968 PWs) bands (ev): -31.0879 -31.0879 -30.9836 -30.9836 -30.9827 -30.9827 -12.1773 -12.1773 -12.1744 -12.1744 -11.8905 -11.8905 -10.8453 -10.8453 -10.7800 -10.7800 -10.7762 -10.7762 -10.6263 -10.6263 -10.3588 -10.3588 -10.3470 -10.3470 -0.7194 -0.7194 -0.7184 -0.7184 1.3408 1.3408 1.4273 1.4273 1.4289 1.4289 1.4343 1.4343 4.3708 4.3708 10.3535 10.3535 10.5121 10.5121 10.6250 10.6250 10.8873 10.8873 10.9579 10.9579 11.0580 11.0580 11.1290 11.1290 11.1832 11.1832 12.3839 12.3839 13.0790 13.0790 13.3924 13.3924 k = 0.0543 0.0543-0.0000 ( 3966 PWs) bands (ev): -31.0885 -31.0885 -30.9832 -30.9832 -30.9825 -30.9825 -12.1778 -12.1778 -12.1757 -12.1757 -11.8890 -11.8890 -10.8467 -10.8467 -10.7801 -10.7801 -10.7775 -10.7775 -10.6258 -10.6258 -10.3545 -10.3545 -10.3462 -10.3462 -0.7198 -0.7198 -0.7190 -0.7190 1.3253 1.3253 1.4266 1.4266 1.4278 1.4278 1.4336 1.4336 4.3572 4.3572 10.4241 10.4241 10.5545 10.5545 10.6455 10.6455 10.8929 10.8929 10.9467 10.9467 11.0689 11.0689 11.1275 11.1275 11.1684 11.1684 12.3834 12.3834 13.1332 13.1332 13.3963 13.3963 k = 0.0435 0.0435-0.0000 ( 3958 PWs) bands (ev): -31.0890 -31.0890 -30.9828 -30.9828 -30.9824 -30.9824 -12.1782 -12.1782 -12.1769 -12.1769 -11.8878 -11.8878 -10.8480 -10.8480 -10.7801 -10.7801 -10.7785 -10.7785 -10.6253 -10.6253 -10.3509 -10.3509 -10.3456 -10.3456 -0.7200 -0.7200 -0.7195 -0.7195 1.3125 1.3125 1.4261 1.4261 1.4269 1.4269 1.4332 1.4332 4.3461 4.3461 10.4906 10.4906 10.5942 10.5942 10.6631 10.6631 10.8846 10.8846 10.9280 10.9280 11.0839 11.0839 11.1270 11.1270 11.1570 11.1570 12.3834 12.3834 13.1978 13.1978 13.3998 13.3998 k = 0.0326 0.0326-0.0000 ( 3958 PWs) bands (ev): -31.0894 -31.0894 -30.9825 -30.9825 -30.9823 -30.9823 -12.1785 -12.1785 -12.1778 -12.1778 -11.8868 -11.8868 -10.8490 -10.8490 -10.7802 -10.7802 -10.7793 -10.7793 -10.6250 -10.6250 -10.3481 -10.3481 -10.3451 -10.3451 -0.7202 -0.7202 -0.7200 -0.7200 1.3025 1.3025 1.4257 1.4257 1.4261 1.4261 1.4328 1.4328 4.3373 4.3373 10.5513 10.5513 10.6307 10.6307 10.6779 10.6779 10.8690 10.8690 10.9026 10.9026 11.0989 11.0989 11.1257 11.1257 11.1493 11.1493 12.3835 12.3835 13.2679 13.2679 13.4028 13.4028 k = 0.0217 0.0217-0.0000 ( 3947 PWs) bands (ev): -31.0897 -31.0897 -30.9823 -30.9823 -30.9822 -30.9822 -12.1788 -12.1788 -12.1784 -12.1784 -11.8862 -11.8862 -10.8497 -10.8497 -10.7802 -10.7802 -10.7798 -10.7798 -10.6247 -10.6247 -10.3461 -10.3461 -10.3447 -10.3447 -0.7204 -0.7204 -0.7203 -0.7203 1.2953 1.2953 1.4254 1.4254 1.4256 1.4256 1.4325 1.4325 4.3311 4.3311 10.6021 10.6021 10.6637 10.6637 10.6906 10.6906 10.8513 10.8513 10.8728 10.8728 11.1108 11.1108 11.1236 11.1236 11.1450 11.1450 12.3835 12.3835 13.3353 13.3353 13.4050 13.4050 k = 0.0109 0.0109-0.0000 ( 3959 PWs) bands (ev): -31.0899 -31.0899 -30.9822 -30.9822 -30.9822 -30.9822 -12.1789 -12.1789 -12.1788 -12.1788 -11.8857 -11.8857 -10.8501 -10.8501 -10.7803 -10.7803 -10.7802 -10.7802 -10.6245 -10.6245 -10.3448 -10.3448 -10.3445 -10.3445 -0.7205 -0.7205 -0.7205 -0.7205 1.2910 1.2910 1.4252 1.4252 1.4253 1.4253 1.4324 1.4324 4.3273 4.3273 10.6358 10.6358 10.6921 10.6921 10.7012 10.7012 10.8364 10.8364 10.8441 10.8441 11.1183 11.1183 11.1216 11.1216 11.1431 11.1431 12.3834 12.3834 13.3870 13.3870 13.4065 13.4065 k = 0.0000 0.0000 0.0000 ( 3959 PWs) bands (ev): -31.0899 -31.0899 -30.9822 -30.9822 -30.9822 -30.9822 -12.1790 -12.1790 -12.1790 -12.1790 -11.8856 -11.8856 -10.8503 -10.8503 -10.7803 -10.7803 -10.7803 -10.7803 -10.6245 -10.6245 -10.3444 -10.3444 -10.3444 -10.3444 -0.7205 -0.7205 -0.7205 -0.7205 1.2896 1.2896 1.4251 1.4251 1.4251 1.4251 1.4323 1.4323 4.3261 4.3261 10.6468 10.6468 10.7061 10.7061 10.7061 10.7061 10.8302 10.8302 10.8302 10.8302 11.1208 11.1209 11.1209 11.1209 11.1426 11.1426 12.3834 12.3834 13.4070 13.4070 13.4070 13.4070 k = 0.0000 0.0000 0.0000 ( 3959 PWs) bands (ev): -31.0899 -31.0899 -30.9822 -30.9822 -30.9822 -30.9822 -12.1790 -12.1790 -12.1790 -12.1790 -11.8856 -11.8856 -10.8503 -10.8503 -10.7803 -10.7803 -10.7803 -10.7803 -10.6245 -10.6245 -10.3444 -10.3444 -10.3444 -10.3444 -0.7205 -0.7205 -0.7205 -0.7205 1.2896 1.2896 1.4251 1.4251 1.4251 1.4251 1.4323 1.4323 4.3261 4.3261 10.6468 10.6468 10.7061 10.7061 10.7061 10.7061 10.8302 10.8302 10.8302 10.8302 11.1208 11.1209 11.1209 11.1209 11.1426 11.1426 12.3834 12.3834 13.4070 13.4070 13.4070 13.4070 k = 0.0089 0.0089 0.0089 ( 3956 PWs) bands (ev): -31.0899 -31.0899 -30.9822 -30.9822 -30.9822 -30.9822 -12.1789 -12.1789 -12.1788 -12.1788 -11.8857 -11.8857 -10.8501 -10.8501 -10.7803 -10.7803 -10.7801 -10.7801 -10.6245 -10.6245 -10.3449 -10.3449 -10.3445 -10.3445 -0.7205 -0.7205 -0.7204 -0.7204 1.2911 1.2911 1.4252 1.4252 1.4253 1.4253 1.4324 1.4324 4.3273 4.3273 10.6360 10.6360 10.6924 10.6924 10.7000 10.7000 10.8404 10.8404 10.8406 10.8406 11.1182 11.1182 11.1217 11.1217 11.1431 11.1431 12.3834 12.3834 13.3869 13.3869 13.4063 13.4063 k = 0.0179 0.0179 0.0179 ( 3950 PWs) bands (ev): -31.0897 -31.0897 -30.9823 -30.9823 -30.9823 -30.9823 -12.1787 -12.1787 -12.1785 -12.1785 -11.8862 -11.8862 -10.8497 -10.8497 -10.7802 -10.7802 -10.7798 -10.7798 -10.6247 -10.6247 -10.3461 -10.3461 -10.3447 -10.3447 -0.7204 -0.7204 -0.7203 -0.7203 1.2954 1.2954 1.4254 1.4254 1.4256 1.4256 1.4325 1.4325 4.3311 4.3311 10.6060 10.6060 10.6599 10.6599 10.6875 10.6875 10.8626 10.8626 10.8642 10.8642 11.1098 11.1098 11.1246 11.1246 11.1451 11.1451 12.3836 12.3836 13.3351 13.3351 13.4043 13.4043 k = 0.0268 0.0268 0.0268 ( 3962 PWs) bands (ev): -31.0894 -31.0894 -30.9824 -30.9824 -30.9824 -30.9824 -12.1784 -12.1784 -12.1779 -12.1779 -11.8869 -11.8869 -10.8489 -10.8489 -10.7802 -10.7802 -10.7793 -10.7793 -10.6250 -10.6250 -10.3482 -10.3482 -10.3450 -10.3450 -0.7202 -0.7202 -0.7200 -0.7200 1.3027 1.3027 1.4257 1.4257 1.4261 1.4261 1.4328 1.4328 4.3375 4.3375 10.5631 10.5631 10.6180 10.6180 10.6720 10.6720 10.8868 10.8868 10.8901 10.8901 11.0951 11.0951 11.1297 11.1297 11.1491 11.1491 12.3841 12.3841 13.2675 13.2675 13.4014 13.4014 k = 0.0357 0.0357 0.0357 ( 3962 PWs) bands (ev): -31.0890 -31.0890 -30.9826 -30.9826 -30.9826 -30.9826 -12.1780 -12.1780 -12.1771 -12.1771 -11.8878 -11.8878 -10.8479 -10.8479 -10.7801 -10.7801 -10.7785 -10.7785 -10.6253 -10.6253 -10.3512 -10.3512 -10.3454 -10.3454 -0.7200 -0.7200 -0.7195 -0.7195 1.3128 1.3128 1.4262 1.4262 1.4268 1.4268 1.4332 1.4332 4.3463 4.3463 10.5130 10.5130 10.5708 10.5708 10.6532 10.6532 10.9086 10.9086 10.9122 10.9122 11.0742 11.0742 11.1377 11.1377 11.1560 11.1560 12.3852 12.3852 13.1971 13.1971 13.3980 13.3980 k = 0.0446 0.0446 0.0446 ( 3959 PWs) bands (ev): -31.0885 -31.0885 -30.9829 -30.9829 -30.9829 -30.9829 -12.1774 -12.1774 -12.1761 -12.1761 -11.8891 -11.8891 -10.8467 -10.8467 -10.7801 -10.7801 -10.7774 -10.7774 -10.6258 -10.6258 -10.3549 -10.3549 -10.3459 -10.3459 -0.7198 -0.7198 -0.7190 -0.7190 1.3258 1.3258 1.4267 1.4267 1.4278 1.4278 1.4337 1.4337 4.3576 4.3576 10.4582 10.4582 10.5198 10.5198 10.6307 10.6307 10.9257 10.9257 10.9259 10.9259 11.0476 11.0476 11.1494 11.1494 11.1667 11.1667 12.3873 12.3873 13.1319 13.1319 13.3946 13.3946 k = 0.0536 0.0536 0.0536 ( 3962 PWs) bands (ev): -31.0879 -31.0879 -30.9832 -30.9832 -30.9832 -30.9832 -12.1768 -12.1768 -12.1749 -12.1749 -11.8906 -11.8906 -10.8452 -10.8452 -10.7800 -10.7800 -10.7762 -10.7762 -10.6263 -10.6263 -10.3594 -10.3594 -10.3465 -10.3465 -0.7194 -0.7194 -0.7183 -0.7183 1.3415 1.3415 1.4273 1.4273 1.4289 1.4289 1.4343 1.4343 4.3713 4.3713 10.4004 10.4004 10.4658 10.4658 10.6045 10.6045 10.9253 10.9253 10.9372 10.9372 11.0188 11.0188 11.1652 11.1652 11.1821 11.1821 12.3909 12.3909 13.0765 13.0765 13.3917 13.3917 k = 0.0625 0.0625 0.0625 ( 3980 PWs) bands (ev): -31.0872 -31.0872 -30.9835 -30.9835 -30.9835 -30.9835 -12.1760 -12.1760 -12.1734 -12.1734 -11.8924 -11.8924 -10.8436 -10.8436 -10.7798 -10.7798 -10.7747 -10.7747 -10.6268 -10.6268 -10.3647 -10.3647 -10.3472 -10.3472 -0.7191 -0.7191 -0.7176 -0.7176 1.3599 1.3599 1.4280 1.4280 1.4302 1.4302 1.4352 1.4352 4.3874 4.3874 10.3401 10.3401 10.4090 10.4090 10.5746 10.5746 10.9030 10.9030 10.9428 10.9428 10.9944 10.9944 11.1852 11.1852 11.2022 11.2022 12.3966 12.3966 13.0336 13.0336 13.3901 13.3901 k = 0.0714 0.0714 0.0714 ( 3983 PWs) bands (ev): -31.0864 -31.0864 -30.9839 -30.9839 -30.9839 -30.9839 -12.1751 -12.1751 -12.1718 -12.1718 -11.8945 -11.8945 -10.8418 -10.8418 -10.7796 -10.7796 -10.7730 -10.7730 -10.6273 -10.6273 -10.3706 -10.3706 -10.3480 -10.3480 -0.7187 -0.7187 -0.7167 -0.7167 1.3810 1.3810 1.4288 1.4288 1.4317 1.4317 1.4363 1.4363 4.4058 4.4058 10.2779 10.2779 10.3499 10.3499 10.5409 10.5409 10.8581 10.8581 10.9428 10.9428 10.9758 10.9758 11.2090 11.2090 11.2267 11.2267 12.4051 12.4051 13.0041 13.0041 13.3903 13.3903 k = 0.0804 0.0804 0.0804 ( 3977 PWs) bands (ev): -31.0854 -31.0854 -30.9844 -30.9844 -30.9844 -30.9844 -12.1742 -12.1742 -12.1700 -12.1700 -11.8969 -11.8969 -10.8399 -10.8399 -10.7794 -10.7794 -10.7711 -10.7711 -10.6278 -10.6278 -10.3772 -10.3772 -10.3489 -10.3489 -0.7182 -0.7182 -0.7158 -0.7158 1.4041 1.4041 1.4297 1.4297 1.4333 1.4333 1.4381 1.4381 4.4264 4.4264 10.2141 10.2141 10.2887 10.2887 10.5031 10.5031 10.7983 10.7983 10.9379 10.9379 10.9574 10.9574 11.2361 11.2361 11.2548 11.2548 12.4173 12.4173 12.9879 12.9879 13.3927 13.3927 k = 0.0893 0.0893 0.0893 ( 3977 PWs) bands (ev): -31.0844 -31.0844 -30.9849 -30.9849 -30.9849 -30.9849 -12.1732 -12.1732 -12.1680 -12.1680 -11.8995 -11.8995 -10.8380 -10.8380 -10.7790 -10.7790 -10.7689 -10.7689 -10.6283 -10.6283 -10.3844 -10.3844 -10.3499 -10.3499 -0.7177 -0.7177 -0.7148 -0.7148 1.4257 1.4257 1.4310 1.4310 1.4351 1.4351 1.4437 1.4437 4.4491 4.4491 10.1489 10.1489 10.2255 10.2255 10.4605 10.4605 10.7299 10.7299 10.9288 10.9288 10.9360 10.9360 11.2661 11.2661 11.2856 11.2856 12.4338 12.4338 12.9840 12.9840 13.3977 13.3977 k = 0.0982 0.0982 0.0982 ( 3995 PWs) bands (ev): -31.0833 -31.0833 -30.9854 -30.9854 -30.9854 -30.9854 -12.1721 -12.1721 -12.1659 -12.1659 -11.9024 -11.9024 -10.8362 -10.8362 -10.7786 -10.7786 -10.7665 -10.7665 -10.6286 -10.6286 -10.3921 -10.3921 -10.3509 -10.3509 -0.7172 -0.7172 -0.7137 -0.7137 1.4308 1.4308 1.4356 1.4356 1.4369 1.4369 1.4652 1.4652 4.4739 4.4739 10.0825 10.0825 10.1605 10.1605 10.4118 10.4118 10.6572 10.6572 10.9108 10.9108 10.9161 10.9161 11.2983 11.2983 11.3186 11.3186 12.4551 12.4551 12.9912 12.9912 13.4054 13.4054 k = 0.1071 0.1071 0.1071 ( 3989 PWs) bands (ev): -31.0821 -31.0821 -30.9860 -30.9860 -30.9860 -30.9860 -12.1709 -12.1709 -12.1637 -12.1637 -11.9057 -11.9057 -10.8344 -10.8344 -10.7781 -10.7781 -10.7639 -10.7639 -10.6288 -10.6288 -10.4003 -10.4003 -10.3520 -10.3520 -0.7166 -0.7166 -0.7126 -0.7126 1.4318 1.4318 1.4380 1.4380 1.4390 1.4390 1.4956 1.4956 4.5006 4.5006 10.0149 10.0149 10.0938 10.0938 10.3552 10.3552 10.5845 10.5845 10.8821 10.8821 10.9006 10.9006 11.3327 11.3327 11.3535 11.3535 12.4814 12.4814 13.0080 13.0080 13.4162 13.4162 k = 0.1161 0.1161 0.1161 ( 3995 PWs) bands (ev): -31.0808 -31.0808 -30.9867 -30.9867 -30.9867 -30.9867 -12.1697 -12.1697 -12.1613 -12.1613 -11.9092 -11.9092 -10.8328 -10.8328 -10.7775 -10.7775 -10.7610 -10.7610 -10.6288 -10.6288 -10.4088 -10.4088 -10.3531 -10.3531 -0.7160 -0.7160 -0.7114 -0.7114 1.4326 1.4326 1.4397 1.4397 1.4410 1.4410 1.5293 1.5293 4.5291 4.5291 9.9461 9.9461 10.0256 10.0256 10.2887 10.2887 10.5156 10.5156 10.8504 10.8504 10.8826 10.8826 11.3690 11.3690 11.3900 11.3900 12.5128 12.5128 13.0329 13.0329 13.4300 13.4300 k = 0.1250 0.1250 0.1250 ( 3989 PWs) bands (ev): -31.0794 -31.0794 -30.9874 -30.9874 -30.9874 -30.9874 -12.1685 -12.1685 -12.1588 -12.1588 -11.9129 -11.9129 -10.8315 -10.8315 -10.7768 -10.7768 -10.7579 -10.7579 -10.6285 -10.6285 -10.4177 -10.4177 -10.3543 -10.3543 -0.7154 -0.7154 -0.7102 -0.7102 1.4334 1.4334 1.4413 1.4413 1.4432 1.4432 1.5656 1.5656 4.5592 4.5592 9.8763 9.8763 9.9560 9.9560 10.2116 10.2116 10.4530 10.4530 10.8164 10.8164 10.8628 10.8628 11.4071 11.4071 11.4281 11.4281 12.5491 12.5491 13.0644 13.0644 13.4468 13.4468 k = 0.1339 0.1339 0.1339 ( 4007 PWs) bands (ev): -31.0779 -31.0779 -30.9881 -30.9881 -30.9881 -30.9881 -12.1672 -12.1672 -12.1563 -12.1563 -11.9170 -11.9170 -10.8305 -10.8305 -10.7760 -10.7760 -10.7546 -10.7546 -10.6280 -10.6280 -10.4268 -10.4268 -10.3555 -10.3555 -0.7147 -0.7147 -0.7091 -0.7091 1.4342 1.4342 1.4428 1.4428 1.4454 1.4454 1.6043 1.6043 4.5908 4.5908 9.8054 9.8054 9.8851 9.8851 10.1254 10.1254 10.3966 10.3966 10.7806 10.7806 10.8414 10.8414 11.4468 11.4468 11.4677 11.4677 12.5902 12.5902 13.1014 13.1014 13.4662 13.4662 k = 0.1429 0.1429 0.1429 ( 4004 PWs) bands (ev): -31.0764 -31.0764 -30.9888 -30.9888 -30.9888 -30.9888 -12.1659 -12.1659 -12.1537 -12.1537 -11.9213 -11.9213 -10.8298 -10.8298 -10.7752 -10.7752 -10.7511 -10.7511 -10.6270 -10.6270 -10.4360 -10.4360 -10.3567 -10.3567 -0.7141 -0.7141 -0.7078 -0.7078 1.4349 1.4349 1.4443 1.4443 1.4477 1.4477 1.6451 1.6451 4.6237 4.6237 9.7334 9.7334 9.8132 9.8132 10.0330 10.0330 10.3452 10.3452 10.7438 10.7438 10.8191 10.8191 11.4883 11.4883 11.5089 11.5089 12.6355 12.6355 13.1427 13.1427 13.4880 13.4880 k = 0.1518 0.1518 0.1518 ( 4013 PWs) bands (ev): -31.0748 -31.0748 -30.9896 -30.9896 -30.9896 -30.9896 -12.1647 -12.1647 -12.1510 -12.1510 -11.9259 -11.9259 -10.8295 -10.8295 -10.7744 -10.7744 -10.7473 -10.7473 -10.6257 -10.6257 -10.4453 -10.4453 -10.3579 -10.3579 -0.7134 -0.7134 -0.7067 -0.7067 1.4357 1.4357 1.4458 1.4458 1.4499 1.4499 1.6881 1.6881 4.6577 4.6577 9.6602 9.6602 9.7403 9.7403 9.9369 9.9369 10.2972 10.2972 10.7066 10.7066 10.7962 10.7962 11.5314 11.5314 11.5515 11.5515 12.6848 12.6848 13.1873 13.1873 13.5118 13.5118 k = 0.1607 0.1607 0.1607 ( 4013 PWs) bands (ev): -31.0731 -31.0731 -30.9905 -30.9905 -30.9905 -30.9905 -12.1634 -12.1634 -12.1484 -12.1484 -11.9308 -11.9308 -10.8296 -10.8296 -10.7737 -10.7737 -10.7433 -10.7433 -10.6240 -10.6240 -10.4545 -10.4545 -10.3591 -10.3591 -0.7128 -0.7128 -0.7055 -0.7055 1.4363 1.4363 1.4473 1.4473 1.4522 1.4522 1.7330 1.7330 4.6927 4.6927 9.5857 9.5857 9.6666 9.6666 9.8395 9.8395 10.2517 10.2517 10.6694 10.6694 10.7731 10.7731 11.5762 11.5762 11.5955 11.5955 12.7375 12.7375 13.2343 13.2343 13.5372 13.5372 k = 0.1696 0.1696 0.1696 ( 4001 PWs) bands (ev): -31.0713 -31.0713 -30.9913 -30.9913 -30.9913 -30.9913 -12.1622 -12.1622 -12.1457 -12.1457 -11.9359 -11.9359 -10.8301 -10.8301 -10.7732 -10.7732 -10.7391 -10.7391 -10.6218 -10.6218 -10.4635 -10.4635 -10.3603 -10.3603 -0.7121 -0.7121 -0.7043 -0.7043 1.4370 1.4370 1.4488 1.4488 1.4545 1.4545 1.7798 1.7798 4.7284 4.7284 9.5101 9.5101 9.5923 9.5923 9.7423 9.7423 10.2081 10.2081 10.6329 10.6329 10.7503 10.7503 11.6224 11.6224 11.6410 11.6410 12.7932 12.7932 13.2828 13.2828 13.5633 13.5633 k = 0.1786 0.1786 0.1786 ( 4013 PWs) bands (ev): -31.0695 -31.0695 -30.9922 -30.9922 -30.9922 -30.9922 -12.1610 -12.1610 -12.1430 -12.1430 -11.9413 -11.9413 -10.8309 -10.8309 -10.7729 -10.7729 -10.7347 -10.7347 -10.6191 -10.6191 -10.4722 -10.4722 -10.3614 -10.3614 -0.7115 -0.7115 -0.7033 -0.7033 1.4376 1.4376 1.4502 1.4502 1.4566 1.4566 1.8283 1.8283 4.7646 4.7646 9.4332 9.4332 9.5174 9.5174 9.6463 9.6463 10.1660 10.1660 10.5974 10.5974 10.7279 10.7279 11.6702 11.6702 11.6879 11.6879 12.8512 12.8512 13.3317 13.3317 13.5896 13.5896 k = 0.1875 0.1875 0.1875 ( 4013 PWs) bands (ev): -31.0677 -31.0677 -30.9931 -30.9931 -30.9931 -30.9931 -12.1599 -12.1599 -12.1404 -12.1404 -11.9470 -11.9470 -10.8322 -10.8322 -10.7730 -10.7730 -10.7301 -10.7301 -10.6161 -10.6161 -10.4804 -10.4804 -10.3625 -10.3625 -0.7109 -0.7109 -0.7022 -0.7022 1.4381 1.4381 1.4516 1.4516 1.4588 1.4588 1.8785 1.8785 4.8010 4.8010 9.3552 9.3552 9.4422 9.4422 9.5524 9.5524 10.1255 10.1255 10.5634 10.5634 10.7064 10.7064 11.7193 11.7193 11.7362 11.7362 12.9109 12.9109 13.3803 13.3803 13.6152 13.6152 k = 0.1964 0.1964 0.1964 ( 4007 PWs) bands (ev): -31.0658 -31.0658 -30.9940 -30.9940 -30.9940 -30.9940 -12.1588 -12.1588 -12.1378 -12.1378 -11.9528 -11.9528 -10.8337 -10.8337 -10.7734 -10.7734 -10.7253 -10.7253 -10.6127 -10.6127 -10.4881 -10.4881 -10.3635 -10.3635 -0.7103 -0.7103 -0.7013 -0.7013 1.4385 1.4385 1.4530 1.4530 1.4609 1.4609 1.9301 1.9301 4.8374 4.8374 9.2764 9.2764 9.3668 9.3668 9.4612 9.4612 10.0865 10.0865 10.5311 10.5311 10.6860 10.6860 11.7698 11.7698 11.7857 11.7857 12.9715 12.9715 13.4275 13.4275 13.6390 13.6390 k = 0.2054 0.2054 0.2054 ( 4007 PWs) bands (ev): -31.0639 -31.0639 -30.9950 -30.9950 -30.9950 -30.9950 -12.1578 -12.1578 -12.1352 -12.1352 -11.9589 -11.9589 -10.8356 -10.8356 -10.7744 -10.7744 -10.7203 -10.7203 -10.6090 -10.6090 -10.4949 -10.4949 -10.3645 -10.3645 -0.7097 -0.7097 -0.7004 -0.7004 1.4389 1.4389 1.4543 1.4543 1.4628 1.4628 1.9832 1.9832 4.8735 4.8735 9.1970 9.1970 9.2914 9.2914 9.3727 9.3727 10.0492 10.0492 10.5010 10.5010 10.6671 10.6671 11.8216 11.8216 11.8364 11.8364 13.0321 13.0321 13.4721 13.4721 13.6601 13.6601 k = 0.2143 0.2143 0.2143 ( 4025 PWs) bands (ev): -31.0619 -31.0619 -30.9959 -30.9959 -30.9959 -30.9959 -12.1568 -12.1568 -12.1328 -12.1328 -11.9652 -11.9652 -10.8377 -10.8377 -10.7758 -10.7758 -10.7152 -10.7152 -10.6053 -10.6053 -10.5008 -10.5008 -10.3654 -10.3654 -0.7092 -0.7092 -0.6996 -0.6996 1.4392 1.4392 1.4555 1.4555 1.4647 1.4647 2.0375 2.0375 4.9091 4.9091 9.1177 9.1177 9.2162 9.2162 9.2869 9.2869 10.0137 10.0137 10.4733 10.4733 10.6497 10.6497 11.8744 11.8744 11.8882 11.8882 13.0914 13.0914 13.5129 13.5129 13.6773 13.6773 k = 0.2232 0.2232 0.2232 ( 4025 PWs) bands (ev): -31.0599 -31.0599 -30.9969 -30.9969 -30.9969 -30.9969 -12.1560 -12.1560 -12.1304 -12.1304 -11.9717 -11.9717 -10.8401 -10.8401 -10.7778 -10.7778 -10.7099 -10.7099 -10.6017 -10.6017 -10.5054 -10.5054 -10.3661 -10.3661 -0.7087 -0.7087 -0.6988 -0.6988 1.4394 1.4394 1.4567 1.4567 1.4664 1.4664 2.0930 2.0930 4.9438 4.9438 9.0390 9.0390 9.1412 9.1412 9.2038 9.2038 9.9803 9.9803 10.4480 10.4480 10.6341 10.6341 11.9283 11.9283 11.9410 11.9410 13.1483 13.1483 13.5488 13.5488 13.6895 13.6895 k = 0.2321 0.2321 0.2321 ( 4025 PWs) bands (ev): -31.0579 -31.0579 -30.9979 -30.9979 -30.9979 -30.9979 -12.1553 -12.1553 -12.1281 -12.1281 -11.9784 -11.9784 -10.8427 -10.8427 -10.7803 -10.7803 -10.7045 -10.7045 -10.5983 -10.5983 -10.5086 -10.5086 -10.3668 -10.3668 -0.7082 -0.7082 -0.6982 -0.6982 1.4395 1.4395 1.4578 1.4578 1.4681 1.4681 2.1495 2.1495 4.9774 4.9774 8.9615 8.9615 9.0668 9.0668 9.1230 9.1230 9.9493 9.9493 10.4256 10.4256 10.6205 10.6205 11.9831 11.9831 11.9947 11.9947 13.2009 13.2009 13.5784 13.5784 13.6959 13.6959 k = 0.2411 0.2411 0.2411 ( 4019 PWs) bands (ev): -31.0559 -31.0559 -30.9989 -30.9989 -30.9989 -30.9989 -12.1546 -12.1546 -12.1259 -12.1259 -11.9851 -11.9851 -10.8454 -10.8454 -10.7834 -10.7834 -10.6990 -10.6990 -10.5956 -10.5956 -10.5101 -10.5101 -10.3674 -10.3674 -0.7077 -0.7077 -0.6977 -0.6977 1.4394 1.4394 1.4589 1.4589 1.4696 1.4696 2.2068 2.2068 5.0096 5.0096 8.8857 8.8857 8.9930 8.9930 9.0443 9.0443 9.9210 9.9210 10.4060 10.4060 10.6089 10.6089 12.0385 12.0385 12.0491 12.0491 13.2477 13.2477 13.6006 13.6006 13.6958 13.6958 k = 0.2500 0.2500 0.2500 ( 4025 PWs) bands (ev): -31.0538 -31.0538 -30.9998 -30.9998 -30.9998 -30.9998 -12.1542 -12.1542 -12.1238 -12.1238 -11.9920 -11.9920 -10.8484 -10.8484 -10.7869 -10.7869 -10.6934 -10.6934 -10.5936 -10.5936 -10.5099 -10.5099 -10.3679 -10.3679 -0.7073 -0.7073 -0.6973 -0.6973 1.4393 1.4393 1.4599 1.4599 1.4709 1.4709 2.2648 2.2648 5.0401 5.0401 8.8121 8.8121 8.9200 8.9200 8.9676 8.9676 9.8955 9.8955 10.3894 10.3894 10.5995 10.5995 12.0946 12.0946 12.1041 12.1041 13.2869 13.2869 13.6144 13.6144 13.6889 13.6889 k = 0.2589 0.2589 0.2589 ( 4019 PWs) bands (ev): -31.0518 -31.0518 -31.0008 -31.0008 -31.0008 -31.0008 -12.1538 -12.1538 -12.1219 -12.1219 -11.9990 -11.9990 -10.8515 -10.8515 -10.7909 -10.7909 -10.6878 -10.6878 -10.5924 -10.5924 -10.5078 -10.5078 -10.3682 -10.3682 -0.7070 -0.7070 -0.6969 -0.6969 1.4391 1.4391 1.4608 1.4608 1.4722 1.4722 2.3235 2.3235 5.0688 5.0688 8.7408 8.7408 8.8480 8.8480 8.8927 8.8927 9.8733 9.8733 10.3758 10.3758 10.5923 10.5923 12.1510 12.1510 12.1596 12.1596 13.3174 13.3174 13.6193 13.6193 13.6752 13.6752 k = 0.2679 0.2679 0.2679 ( 4019 PWs) bands (ev): -31.0498 -31.0498 -31.0018 -31.0018 -31.0018 -31.0018 -12.1535 -12.1535 -12.1201 -12.1201 -12.0061 -12.0061 -10.8547 -10.8547 -10.7952 -10.7952 -10.6821 -10.6821 -10.5919 -10.5919 -10.5040 -10.5040 -10.3684 -10.3684 -0.7067 -0.7067 -0.6967 -0.6967 1.4387 1.4387 1.4617 1.4617 1.4732 1.4732 2.3825 2.3825 5.0954 5.0954 8.6723 8.6723 8.7772 8.7772 8.8196 8.8196 9.8546 9.8546 10.3653 10.3653 10.5874 10.5874 12.2076 12.2076 12.2152 12.2152 13.3387 13.3387 13.6152 13.6152 13.6552 13.6552 k = 0.2768 0.2768 0.2768 ( 4001 PWs) bands (ev): -31.0477 -31.0477 -31.0028 -31.0028 -31.0028 -31.0028 -12.1535 -12.1535 -12.1184 -12.1184 -12.0131 -12.0131 -10.8581 -10.8581 -10.7999 -10.7999 -10.6764 -10.6764 -10.5919 -10.5919 -10.4988 -10.4988 -10.3685 -10.3685 -0.7064 -0.7064 -0.6966 -0.6966 1.4382 1.4382 1.4625 1.4625 1.4741 1.4741 2.4418 2.4418 5.1196 5.1196 8.6064 8.6064 8.7077 8.7077 8.7482 8.7482 9.8397 9.8397 10.3580 10.3580 10.5848 10.5848 12.2642 12.2642 12.2710 12.2710 13.3511 13.3511 13.6028 13.6028 13.6294 13.6294 k = 0.2857 0.2857 0.2857 ( 4010 PWs) bands (ev): -31.0457 -31.0457 -31.0038 -31.0038 -31.0038 -31.0038 -12.1535 -12.1535 -12.1168 -12.1168 -12.0202 -12.0202 -10.8615 -10.8615 -10.8049 -10.8049 -10.6707 -10.6707 -10.5924 -10.5924 -10.4925 -10.4925 -10.3684 -10.3684 -0.7061 -0.7061 -0.6966 -0.6966 1.4375 1.4375 1.4633 1.4633 1.4749 1.4749 2.5012 2.5012 5.1414 5.1414 8.5434 8.5434 8.6396 8.6396 8.6787 8.6787 9.8289 9.8289 10.3539 10.3539 10.5846 10.5846 12.3205 12.3205 12.3265 12.3265 13.3555 13.3555 13.5828 13.5828 13.5987 13.5987 k = 0.2946 0.2946 0.2946 ( 4013 PWs) bands (ev): -31.0438 -31.0438 -31.0047 -31.0047 -31.0047 -31.0047 -12.1538 -12.1538 -12.1154 -12.1154 -12.0272 -12.0272 -10.8651 -10.8651 -10.8100 -10.8100 -10.6651 -10.6651 -10.5930 -10.5930 -10.4853 -10.4853 -10.3682 -10.3682 -0.7060 -0.7060 -0.6967 -0.6967 1.4368 1.4368 1.4640 1.4640 1.4755 1.4755 2.5606 2.5606 5.1606 5.1606 8.4830 8.4830 8.5731 8.5731 8.6110 8.6110 9.8224 9.8224 10.3529 10.3529 10.5866 10.5866 12.3763 12.3763 12.3816 12.3816 13.3530 13.3530 13.5564 13.5564 13.5638 13.5638 k = 0.3036 0.3036 0.3036 ( 4013 PWs) bands (ev): -31.0418 -31.0418 -31.0056 -31.0056 -31.0056 -31.0056 -12.1542 -12.1542 -12.1141 -12.1141 -12.0341 -12.0341 -10.8687 -10.8687 -10.8152 -10.8152 -10.6595 -10.6595 -10.5936 -10.5936 -10.4774 -10.4774 -10.3679 -10.3679 -0.7058 -0.7058 -0.6969 -0.6969 1.4359 1.4359 1.4646 1.4646 1.4759 1.4759 2.6197 2.6197 5.1773 5.1773 8.4253 8.4253 8.5084 8.5084 8.5452 8.5452 9.8203 9.8203 10.3551 10.3551 10.5908 10.5908 12.4313 12.4313 12.4360 12.4360 13.3449 13.3449 13.5247 13.5247 13.5256 13.5256 k = 0.3125 0.3125 0.3125 ( 4014 PWs) bands (ev): -31.0399 -31.0399 -31.0066 -31.0066 -31.0066 -31.0066 -12.1548 -12.1548 -12.1130 -12.1130 -12.0408 -12.0408 -10.8724 -10.8724 -10.8203 -10.8203 -10.6540 -10.6540 -10.5943 -10.5943 -10.4692 -10.4692 -10.3674 -10.3674 -0.7057 -0.7057 -0.6972 -0.6972 1.4349 1.4349 1.4652 1.4652 1.4763 1.4763 2.6784 2.6784 5.1912 5.1912 8.3701 8.3701 8.4456 8.4456 8.4814 8.4814 9.8228 9.8228 10.3605 10.3605 10.5973 10.5973 12.4853 12.4853 12.4894 12.4894 13.3321 13.3321 13.4847 13.4847 13.4888 13.4888 k = 0.3214 0.3214 0.3214 ( 4014 PWs) bands (ev): -31.0381 -31.0381 -31.0075 -31.0075 -31.0075 -31.0075 -12.1556 -12.1556 -12.1119 -12.1119 -12.0474 -12.0474 -10.8762 -10.8762 -10.8255 -10.8255 -10.6486 -10.6486 -10.5948 -10.5948 -10.4606 -10.4606 -10.3667 -10.3667 -0.7056 -0.7056 -0.6975 -0.6975 1.4338 1.4338 1.4658 1.4658 1.4764 1.4764 2.7365 2.7365 5.2026 5.2026 8.3173 8.3173 8.3848 8.3848 8.4197 8.4197 9.8299 9.8299 10.3689 10.3689 10.6058 10.6058 12.5379 12.5379 12.5416 12.5416 13.3154 13.3154 13.4419 13.4419 13.4496 13.4496 k = 0.3304 0.3304 0.3304 ( 4020 PWs) bands (ev): -31.0362 -31.0362 -31.0083 -31.0083 -31.0083 -31.0083 -12.1566 -12.1566 -12.1110 -12.1110 -12.0537 -12.0537 -10.8801 -10.8801 -10.8305 -10.8305 -10.6434 -10.6434 -10.5952 -10.5952 -10.4519 -10.4519 -10.3660 -10.3660 -0.7056 -0.7056 -0.6980 -0.6980 1.4326 1.4326 1.4663 1.4663 1.4765 1.4765 2.7938 2.7938 5.2115 5.2115 8.2668 8.2668 8.3262 8.3262 8.3603 8.3603 9.8415 9.8415 10.3805 10.3805 10.6163 10.6163 12.5889 12.5889 12.5923 12.5923 13.2954 13.2954 13.3977 13.3977 13.4082 13.4082 k = 0.3393 0.3393 0.3393 ( 4026 PWs) bands (ev): -31.0345 -31.0345 -31.0092 -31.0092 -31.0092 -31.0092 -12.1579 -12.1579 -12.1102 -12.1102 -12.0598 -12.0598 -10.8841 -10.8841 -10.8353 -10.8353 -10.6383 -10.6383 -10.5955 -10.5955 -10.4431 -10.4431 -10.3651 -10.3651 -0.7056 -0.7056 -0.6985 -0.6985 1.4313 1.4313 1.4668 1.4668 1.4764 1.4764 2.8501 2.8501 5.2180 5.2180 8.2184 8.2184 8.2698 8.2698 8.3032 8.3032 9.8574 9.8574 10.3952 10.3952 10.6286 10.6286 12.6379 12.6379 12.6410 12.6410 13.2726 13.2726 13.3528 13.3528 13.3652 13.3652 k = 0.3482 0.3482 0.3482 ( 4029 PWs) bands (ev): -31.0328 -31.0328 -31.0100 -31.0100 -31.0100 -31.0100 -12.1593 -12.1593 -12.1095 -12.1095 -12.0655 -12.0655 -10.8880 -10.8880 -10.8398 -10.8398 -10.6335 -10.6335 -10.5956 -10.5956 -10.4344 -10.4344 -10.3641 -10.3641 -0.7056 -0.7056 -0.6990 -0.6990 1.4300 1.4300 1.4672 1.4672 1.4763 1.4763 2.9052 2.9052 5.2222 5.2222 8.1721 8.1721 8.2158 8.2158 8.2485 8.2485 9.8774 9.8774 10.4130 10.4130 10.6427 10.6427 12.6846 12.6846 12.6875 12.6875 13.2473 13.2473 13.3076 13.3076 13.3215 13.3215 k = 0.3571 0.3571 0.3571 ( 4035 PWs) bands (ev): -31.0312 -31.0312 -31.0108 -31.0108 -31.0108 -31.0108 -12.1609 -12.1609 -12.1089 -12.1089 -12.0709 -12.0709 -10.8920 -10.8920 -10.8441 -10.8441 -10.6288 -10.6288 -10.5956 -10.5956 -10.4258 -10.4258 -10.3630 -10.3630 -0.7057 -0.7057 -0.6996 -0.6996 1.4286 1.4286 1.4676 1.4676 1.4760 1.4760 2.9589 2.9589 5.2244 5.2244 8.1278 8.1278 8.1643 8.1643 8.1963 8.1963 9.9009 9.9009 10.4338 10.4338 10.6583 10.6583 12.7286 12.7286 12.7313 12.7313 13.2198 13.2198 13.2626 13.2626 13.2777 13.2777 k = 0.3661 0.3661 0.3661 ( 4023 PWs) bands (ev): -31.0296 -31.0296 -31.0115 -31.0115 -31.0115 -31.0115 -12.1628 -12.1628 -12.1084 -12.1084 -12.0759 -12.0759 -10.8960 -10.8960 -10.8480 -10.8480 -10.6244 -10.6244 -10.5955 -10.5955 -10.4174 -10.4174 -10.3618 -10.3618 -0.7058 -0.7058 -0.7003 -0.7003 1.4272 1.4272 1.4680 1.4680 1.4757 1.4757 3.0110 3.0110 5.2249 5.2249 8.0854 8.0854 8.1155 8.1155 8.1467 8.1467 9.9276 9.9276 10.4575 10.4575 10.6753 10.6753 12.7695 12.7695 12.7720 12.7720 13.1901 13.1901 13.2185 13.2185 13.2348 13.2348 k = 0.3750 0.3750 0.3750 ( 4029 PWs) bands (ev): -31.0281 -31.0281 -31.0123 -31.0123 -31.0123 -31.0123 -12.1648 -12.1648 -12.1080 -12.1080 -12.0805 -12.0805 -10.8999 -10.8999 -10.8517 -10.8517 -10.6202 -10.6202 -10.5953 -10.5953 -10.4093 -10.4093 -10.3606 -10.3606 -0.7059 -0.7059 -0.7009 -0.7009 1.4258 1.4258 1.4683 1.4683 1.4753 1.4753 3.0613 3.0613 5.2237 5.2237 8.0450 8.0450 8.0693 8.0693 8.0998 8.0998 9.9569 9.9569 10.4843 10.4843 10.6934 10.6934 12.8066 12.8066 12.8087 12.8087 13.1585 13.1585 13.1759 13.1759 13.1936 13.1936 k = 0.3839 0.3839 0.3839 ( 4029 PWs) bands (ev): -31.0267 -31.0267 -31.0129 -31.0129 -31.0129 -31.0129 -12.1670 -12.1670 -12.1077 -12.1077 -12.0846 -12.0846 -10.9038 -10.9038 -10.8550 -10.8550 -10.6162 -10.6162 -10.5950 -10.5950 -10.4015 -10.4015 -10.3593 -10.3593 -0.7060 -0.7060 -0.7016 -0.7016 1.4243 1.4243 1.4686 1.4686 1.4749 1.4749 3.1095 3.1095 5.2213 5.2213 8.0067 8.0067 8.0259 8.0259 8.0557 8.0557 9.9879 9.9879 10.5138 10.5138 10.7124 10.7124 12.8393 12.8393 12.8406 12.8406 13.1253 13.1253 13.1358 13.1358 13.1552 13.1552 k = 0.3929 0.3929 0.3929 ( 4023 PWs) bands (ev): -31.0254 -31.0254 -31.0136 -31.0136 -31.0136 -31.0136 -12.1693 -12.1693 -12.1074 -12.1074 -12.0884 -12.0884 -10.9075 -10.9075 -10.8580 -10.8580 -10.6126 -10.6126 -10.5947 -10.5947 -10.3941 -10.3941 -10.3580 -10.3580 -0.7061 -0.7061 -0.7023 -0.7023 1.4229 1.4229 1.4689 1.4689 1.4744 1.4744 3.1554 3.1554 5.2178 5.2178 7.9705 7.9705 7.9854 7.9854 8.0144 8.0144 10.0200 10.0200 10.5459 10.5459 10.7320 10.7320 12.8662 12.8662 12.8662 12.8662 13.0905 13.0905 13.0998 13.0998 13.1213 13.1213 k = 0.4018 0.4018 0.4018 ( 4026 PWs) bands (ev): -31.0241 -31.0241 -31.0142 -31.0142 -31.0142 -31.0142 -12.1716 -12.1716 -12.1072 -12.1072 -12.0917 -12.0917 -10.9111 -10.9111 -10.8607 -10.8607 -10.6092 -10.6092 -10.5943 -10.5943 -10.3871 -10.3871 -10.3567 -10.3567 -0.7063 -0.7063 -0.7030 -0.7030 1.4215 1.4215 1.4691 1.4691 1.4739 1.4739 3.1987 3.1987 5.2135 5.2135 7.9365 7.9365 7.9478 7.9478 7.9760 7.9760 10.0525 10.0525 10.5805 10.5805 10.7520 10.7520 12.8831 12.8831 12.8849 12.8849 13.0546 13.0546 13.0703 13.0703 13.0946 13.0946 k = 0.4107 0.4107 0.4107 ( 4026 PWs) bands (ev): -31.0230 -31.0230 -31.0147 -31.0147 -31.0147 -31.0147 -12.1740 -12.1740 -12.1071 -12.1071 -12.0946 -12.0946 -10.9145 -10.9145 -10.8632 -10.8632 -10.6061 -10.6061 -10.5939 -10.5939 -10.3806 -10.3806 -10.3554 -10.3554 -0.7064 -0.7064 -0.7036 -0.7036 1.4202 1.4202 1.4693 1.4693 1.4734 1.4734 3.2393 3.2393 5.2087 5.2087 7.9049 7.9049 7.9133 7.9133 7.9405 7.9405 10.0845 10.0845 10.6170 10.6170 10.7719 10.7719 12.8888 12.8888 12.8920 12.8920 13.0178 13.0178 13.0512 13.0512 13.0780 13.0780 k = 0.4196 0.4196 0.4196 ( 4026 PWs) bands (ev): -31.0220 -31.0220 -31.0152 -31.0152 -31.0152 -31.0152 -12.1764 -12.1764 -12.1070 -12.1070 -12.0972 -12.0972 -10.9177 -10.9177 -10.8653 -10.8653 -10.6033 -10.6033 -10.5935 -10.5935 -10.3746 -10.3746 -10.3541 -10.3541 -0.7065 -0.7065 -0.7043 -0.7043 1.4189 1.4189 1.4695 1.4695 1.4729 1.4729 3.2769 3.2769 5.2035 5.2035 7.8758 7.8758 7.8818 7.8818 7.9080 7.9080 10.1154 10.1154 10.6550 10.6550 10.7916 10.7916 12.8824 12.8824 12.8855 12.8855 12.9804 12.9804 13.0448 13.0448 13.0726 13.0726 k = 0.4286 0.4286 0.4286 ( 4026 PWs) bands (ev): -31.0210 -31.0210 -31.0156 -31.0156 -31.0156 -31.0156 -12.1787 -12.1787 -12.1069 -12.1069 -12.0994 -12.0994 -10.9206 -10.9206 -10.8672 -10.8672 -10.6008 -10.6008 -10.5931 -10.5931 -10.3691 -10.3691 -10.3529 -10.3529 -0.7067 -0.7067 -0.7048 -0.7048 1.4178 1.4178 1.4697 1.4697 1.4724 1.4724 3.3112 3.3112 5.1983 5.1983 7.8493 7.8493 7.8535 7.8535 7.8787 7.8787 10.1445 10.1445 10.6937 10.6937 10.8106 10.8106 12.8670 12.8670 12.8686 12.8686 12.9431 12.9431 13.0483 13.0483 13.0757 13.0757 k = 0.4375 0.4375 0.4375 ( 4014 PWs) bands (ev): -31.0202 -31.0202 -31.0160 -31.0160 -31.0160 -31.0160 -12.1809 -12.1809 -12.1068 -12.1068 -12.1012 -12.1012 -10.9232 -10.9232 -10.8688 -10.8688 -10.5985 -10.5985 -10.5927 -10.5927 -10.3642 -10.3642 -10.3517 -10.3517 -0.7068 -0.7068 -0.7054 -0.7054 1.4167 1.4167 1.4698 1.4698 1.4720 1.4720 3.3421 3.3421 5.1932 5.1932 7.8256 7.8256 7.8285 7.8285 7.8526 7.8526 10.1714 10.1714 10.7322 10.7322 10.8285 10.8285 12.8468 12.8468 12.8470 12.8470 12.9066 12.9066 13.0568 13.0568 13.0832 13.0832 k = 0.4464 0.4464 0.4464 ( 4002 PWs) bands (ev): -31.0194 -31.0194 -31.0164 -31.0164 -31.0164 -31.0164 -12.1829 -12.1829 -12.1068 -12.1068 -12.1028 -12.1028 -10.9255 -10.9255 -10.8702 -10.8702 -10.5966 -10.5966 -10.5924 -10.5924 -10.3598 -10.3598 -10.3507 -10.3507 -0.7069 -0.7069 -0.7059 -0.7059 1.4158 1.4158 1.4699 1.4699 1.4716 1.4716 3.3694 3.3694 5.1884 5.1884 7.8048 7.8048 7.8066 7.8066 7.8297 7.8297 10.1955 10.1955 10.7695 10.7695 10.8451 10.8451 12.8240 12.8240 12.8258 12.8258 12.8720 12.8720 13.0667 13.0667 13.0916 13.0916 k = 0.4554 0.4554 0.4554 ( 3990 PWs) bands (ev): -31.0188 -31.0188 -31.0167 -31.0167 -31.0167 -31.0167 -12.1846 -12.1846 -12.1068 -12.1068 -12.1040 -12.1040 -10.9275 -10.9275 -10.8714 -10.8714 -10.5950 -10.5950 -10.5920 -10.5920 -10.3561 -10.3561 -10.3498 -10.3498 -0.7070 -0.7070 -0.7063 -0.7063 1.4149 1.4149 1.4700 1.4700 1.4712 1.4712 3.3928 3.3928 5.1840 5.1840 7.7870 7.7870 7.7881 7.7881 7.8102 7.8102 10.2164 10.2164 10.8042 10.8042 10.8598 10.8598 12.8026 12.8026 12.8057 12.8057 12.8401 12.8401 13.0761 13.0761 13.0988 13.0988 k = 0.4643 0.4643 0.4643 ( 4002 PWs) bands (ev): -31.0183 -31.0183 -31.0169 -31.0169 -31.0169 -31.0169 -12.1861 -12.1861 -12.1068 -12.1068 -12.1051 -12.1051 -10.9292 -10.9292 -10.8723 -10.8723 -10.5936 -10.5936 -10.5918 -10.5918 -10.3531 -10.3531 -10.3490 -10.3490 -0.7071 -0.7071 -0.7066 -0.7066 1.4142 1.4142 1.4701 1.4701 1.4709 1.4709 3.4122 3.4122 5.1802 5.1802 7.7723 7.7723 7.7728 7.7728 7.7941 7.7941 10.2339 10.2339 10.8350 10.8350 10.8725 10.8725 12.7838 12.7838 12.7876 12.7876 12.8123 12.8123 13.0843 13.0843 13.1033 13.1033 k = 0.4732 0.4732 0.4732 ( 4011 PWs) bands (ev): -31.0179 -31.0179 -31.0171 -31.0171 -31.0171 -31.0171 -12.1873 -12.1873 -12.1068 -12.1068 -12.1058 -12.1058 -10.9305 -10.9305 -10.8730 -10.8730 -10.5926 -10.5926 -10.5916 -10.5916 -10.3507 -10.3507 -10.3484 -10.3484 -0.7072 -0.7072 -0.7069 -0.7069 1.4137 1.4137 1.4702 1.4702 1.4706 1.4706 3.4275 3.4275 5.1772 5.1772 7.7607 7.7607 7.7610 7.7610 7.7816 7.7816 10.2478 10.2478 10.8608 10.8608 10.8827 10.8827 12.7686 12.7686 12.7722 12.7722 12.7898 12.7898 13.0908 13.0908 13.1042 13.1042 k = 0.4821 0.4821 0.4821 ( 4023 PWs) bands (ev): -31.0176 -31.0176 -31.0173 -31.0173 -31.0173 -31.0173 -12.1882 -12.1882 -12.1068 -12.1068 -12.1064 -12.1064 -10.9314 -10.9314 -10.8736 -10.8736 -10.5919 -10.5919 -10.5914 -10.5914 -10.3490 -10.3490 -10.3480 -10.3480 -0.7073 -0.7073 -0.7071 -0.7071 1.4133 1.4133 1.4702 1.4702 1.4704 1.4704 3.4385 3.4385 5.1749 5.1749 7.7524 7.7524 7.7525 7.7525 7.7726 7.7726 10.2578 10.2578 10.8801 10.8801 10.8902 10.8902 12.7573 12.7573 12.7597 12.7597 12.7740 12.7740 13.0955 13.0955 13.1023 13.1023 k = 0.4911 0.4911 0.4911 ( 4032 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1887 -12.1887 -12.1068 -12.1068 -12.1067 -12.1067 -10.9320 -10.9320 -10.8739 -10.8739 -10.5914 -10.5914 -10.5913 -10.5913 -10.3480 -10.3480 -10.3477 -10.3477 -0.7073 -0.7073 -0.7073 -0.7073 1.4130 1.4130 1.4702 1.4702 1.4703 1.4703 3.4451 3.4451 5.1736 5.1736 7.7473 7.7473 7.7474 7.7474 7.7672 7.7672 10.2639 10.2639 10.8922 10.8922 10.8948 10.8948 12.7505 12.7505 12.7512 12.7512 12.7651 12.7651 13.0983 13.0983 13.1001 13.1001 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1889 -12.1889 -12.1068 -12.1068 -12.1068 -12.1068 -10.9321 -10.9321 -10.8740 -10.8740 -10.5913 -10.5913 -10.5913 -10.5913 -10.3476 -10.3476 -10.3476 -10.3476 -0.7073 -0.7073 -0.7073 -0.7073 1.4129 1.4129 1.4702 1.4702 1.4702 1.4702 3.4473 3.4473 5.1731 5.1731 7.7457 7.7457 7.7457 7.7457 7.7654 7.7654 10.2659 10.2659 10.8963 10.8963 10.8963 10.8963 12.7482 12.7482 12.7482 12.7482 12.7623 12.7623 13.0992 13.0992 13.0992 13.0992 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1889 -12.1889 -12.1068 -12.1068 -12.1068 -12.1068 -10.9321 -10.9321 -10.8740 -10.8740 -10.5913 -10.5913 -10.5913 -10.5913 -10.3476 -10.3476 -10.3476 -10.3476 -0.7073 -0.7073 -0.7073 -0.7073 1.4129 1.4129 1.4702 1.4702 1.4702 1.4702 3.4473 3.4473 5.1731 5.1731 7.7457 7.7457 7.7457 7.7457 7.7654 7.7654 10.2659 10.2659 10.8963 10.8963 10.8963 10.8963 12.7482 12.7482 12.7482 12.7482 12.7623 12.7623 13.0992 13.0992 13.0992 13.0992 k = 0.4891 0.5000 0.4891 ( 4032 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0173 -31.0173 -12.1887 -12.1887 -12.1068 -12.1068 -12.1067 -12.1067 -10.9320 -10.9320 -10.8739 -10.8739 -10.5914 -10.5914 -10.5913 -10.5913 -10.3480 -10.3480 -10.3477 -10.3477 -0.7073 -0.7073 -0.7073 -0.7073 1.4130 1.4130 1.4702 1.4702 1.4703 1.4703 3.4451 3.4451 5.1736 5.1736 7.7466 7.7466 7.7480 7.7480 7.7672 7.7672 10.2639 10.2639 10.8923 10.8923 10.8947 10.8947 12.7504 12.7504 12.7512 12.7512 12.7651 12.7651 13.0983 13.0983 13.1001 13.1001 k = 0.4783 0.5000 0.4783 ( 4030 PWs) bands (ev): -31.0176 -31.0176 -31.0174 -31.0174 -31.0172 -31.0172 -12.1882 -12.1882 -12.1068 -12.1068 -12.1064 -12.1064 -10.9314 -10.9314 -10.8736 -10.8736 -10.5919 -10.5919 -10.5914 -10.5914 -10.3490 -10.3490 -10.3480 -10.3480 -0.7073 -0.7073 -0.7072 -0.7072 1.4133 1.4133 1.4702 1.4702 1.4704 1.4704 3.4386 3.4386 5.1749 5.1749 7.7491 7.7491 7.7549 7.7549 7.7731 7.7731 10.2579 10.2579 10.8804 10.8804 10.8902 10.8902 12.7566 12.7566 12.7603 12.7603 12.7738 12.7738 13.0957 13.0957 13.1022 13.1022 k = 0.4674 0.5000 0.4674 ( 4004 PWs) bands (ev): -31.0178 -31.0178 -31.0174 -31.0174 -31.0170 -31.0170 -12.1873 -12.1873 -12.1067 -12.1067 -12.1059 -12.1059 -10.9305 -10.9305 -10.8730 -10.8730 -10.5925 -10.5925 -10.5916 -10.5916 -10.3506 -10.3506 -10.3485 -10.3485 -0.7072 -0.7072 -0.7069 -0.7069 1.4137 1.4137 1.4702 1.4702 1.4706 1.4706 3.4278 3.4278 5.1771 5.1771 7.7524 7.7524 7.7664 7.7664 7.7838 7.7838 10.2480 10.2480 10.8611 10.8611 10.8828 10.8828 12.7660 12.7660 12.7751 12.7751 12.7887 12.7887 13.0913 13.0913 13.1041 13.1041 k = 0.4565 0.5000 0.4565 ( 3998 PWs) bands (ev): -31.0181 -31.0181 -31.0174 -31.0174 -31.0167 -31.0167 -12.1861 -12.1861 -12.1067 -12.1067 -12.1052 -12.1052 -10.9292 -10.9292 -10.8723 -10.8723 -10.5935 -10.5935 -10.5919 -10.5919 -10.3530 -10.3530 -10.3491 -10.3491 -0.7071 -0.7071 -0.7067 -0.7067 1.4142 1.4142 1.4701 1.4701 1.4708 1.4708 3.4128 3.4128 5.1802 5.1802 7.7560 7.7560 7.7824 7.7824 7.7995 7.7995 10.2344 10.2344 10.8351 10.8351 10.8732 10.8732 12.7782 12.7782 12.7948 12.7948 12.8093 12.8093 13.0850 13.0850 13.1037 13.1037 k = 0.4457 0.5000 0.4457 ( 3998 PWs) bands (ev): -31.0184 -31.0184 -31.0174 -31.0174 -31.0164 -31.0164 -12.1846 -12.1846 -12.1066 -12.1066 -12.1043 -12.1043 -10.9276 -10.9276 -10.8714 -10.8714 -10.5948 -10.5948 -10.5922 -10.5922 -10.3559 -10.3559 -10.3499 -10.3499 -0.7070 -0.7070 -0.7063 -0.7063 1.4149 1.4149 1.4701 1.4701 1.4712 1.4712 3.3938 3.3938 5.1840 5.1840 7.7602 7.7602 7.8028 7.8028 7.8202 7.8202 10.2172 10.2172 10.8033 10.8033 10.8617 10.8617 12.7932 12.7932 12.8188 12.8188 12.8345 12.8345 13.0769 13.0769 13.0998 13.0998 k = 0.4348 0.5000 0.4348 ( 4010 PWs) bands (ev): -31.0189 -31.0189 -31.0174 -31.0174 -31.0159 -31.0159 -12.1829 -12.1829 -12.1066 -12.1066 -12.1031 -12.1031 -10.9256 -10.9256 -10.8703 -10.8703 -10.5963 -10.5963 -10.5926 -10.5926 -10.3595 -10.3595 -10.3509 -10.3509 -0.7068 -0.7068 -0.7059 -0.7059 1.4157 1.4157 1.4700 1.4700 1.4715 1.4715 3.3709 3.3709 5.1884 5.1884 7.7650 7.7650 7.8275 7.8275 7.8454 7.8454 10.1967 10.1967 10.7666 10.7666 10.8488 10.8488 12.8110 12.8110 12.8460 12.8460 12.8631 12.8631 13.0670 13.0670 13.0927 13.0927 k = 0.4239 0.5000 0.4239 ( 4022 PWs) bands (ev): -31.0195 -31.0195 -31.0174 -31.0174 -31.0154 -31.0154 -12.1809 -12.1809 -12.1065 -12.1065 -12.1018 -12.1018 -10.9233 -10.9233 -10.8689 -10.8689 -10.5981 -10.5981 -10.5930 -10.5930 -10.3636 -10.3636 -10.3521 -10.3521 -0.7067 -0.7067 -0.7055 -0.7055 1.4167 1.4167 1.4698 1.4698 1.4720 1.4720 3.3445 3.3445 5.1934 5.1934 7.7705 7.7705 7.8561 7.8561 7.8751 7.8751 10.1733 10.1733 10.7260 10.7260 10.8352 10.8352 12.8314 12.8314 12.8751 12.8751 12.8941 12.8941 13.0557 13.0557 13.0831 13.0831 k = 0.4130 0.5000 0.4130 ( 4026 PWs) bands (ev): -31.0201 -31.0201 -31.0174 -31.0174 -31.0148 -31.0148 -12.1787 -12.1787 -12.1064 -12.1064 -12.1002 -12.1002 -10.9207 -10.9207 -10.8673 -10.8673 -10.6002 -10.6002 -10.5936 -10.5936 -10.3683 -10.3683 -10.3534 -10.3534 -0.7065 -0.7065 -0.7050 -0.7050 1.4177 1.4177 1.4697 1.4697 1.4725 1.4725 3.3147 3.3147 5.1988 5.1988 7.7770 7.7770 7.8886 7.8886 7.9089 7.9089 10.1474 10.1474 10.6824 10.6824 10.8213 10.8213 12.8542 12.8542 12.9044 12.9044 12.9259 12.9259 13.0435 13.0435 13.0720 13.0720 k = 0.4022 0.5000 0.4022 ( 4018 PWs) bands (ev): -31.0207 -31.0207 -31.0174 -31.0174 -31.0142 -31.0142 -12.1763 -12.1763 -12.1062 -12.1062 -12.0983 -12.0983 -10.9177 -10.9177 -10.8655 -10.8655 -10.6025 -10.6025 -10.5942 -10.5942 -10.3735 -10.3735 -10.3549 -10.3549 -0.7063 -0.7063 -0.7044 -0.7044 1.4189 1.4189 1.4695 1.4695 1.4730 1.4730 3.2818 3.2818 5.2045 5.2045 7.7844 7.7844 7.9245 7.9245 7.9468 7.9468 10.1194 10.1194 10.6368 10.6368 10.8075 10.8075 12.8792 12.8792 12.9308 12.9308 12.9572 12.9572 13.0314 13.0314 13.0617 13.0617 k = 0.3913 0.5000 0.3913 ( 4034 PWs) bands (ev): -31.0215 -31.0215 -31.0175 -31.0175 -31.0134 -31.0134 -12.1738 -12.1738 -12.1061 -12.1061 -12.0962 -12.0962 -10.9145 -10.9145 -10.8634 -10.8634 -10.6051 -10.6051 -10.5948 -10.5948 -10.3791 -10.3791 -10.3565 -10.3565 -0.7061 -0.7061 -0.7039 -0.7039 1.4202 1.4202 1.4693 1.4693 1.4735 1.4735 3.2461 3.2461 5.2103 5.2103 7.7928 7.7928 7.9635 7.9635 7.9886 7.9886 10.0899 10.0899 10.5900 10.5900 10.7940 10.7940 12.9058 12.9058 12.9472 12.9472 12.9868 12.9868 13.0195 13.0195 13.0587 13.0587 k = 0.3804 0.5000 0.3804 ( 4030 PWs) bands (ev): -31.0223 -31.0223 -31.0175 -31.0175 -31.0126 -31.0126 -12.1712 -12.1712 -12.1059 -12.1059 -12.0939 -12.0939 -10.9111 -10.9111 -10.8611 -10.8611 -10.6078 -10.6078 -10.5955 -10.5955 -10.3852 -10.3852 -10.3582 -10.3582 -0.7059 -0.7059 -0.7033 -0.7033 1.4215 1.4215 1.4691 1.4691 1.4741 1.4741 3.2078 3.2078 5.2160 5.2160 7.8025 7.8025 8.0050 8.0050 8.0345 8.0345 10.0595 10.0595 10.5429 10.5429 10.7812 10.7812 12.9325 12.9325 12.9473 12.9473 13.0051 13.0051 13.0155 13.0155 13.0712 13.0712 k = 0.3696 0.5000 0.3696 ( 4034 PWs) bands (ev): -31.0232 -31.0232 -31.0175 -31.0175 -31.0118 -31.0118 -12.1686 -12.1686 -12.1056 -12.1056 -12.0913 -12.0913 -10.9074 -10.9074 -10.8585 -10.8585 -10.6108 -10.6108 -10.5963 -10.5963 -10.3917 -10.3917 -10.3601 -10.3601 -0.7057 -0.7057 -0.7026 -0.7026 1.4229 1.4229 1.4689 1.4689 1.4747 1.4747 3.1673 3.1673 5.2215 5.2215 7.8134 7.8134 8.0486 8.0486 8.0842 8.0842 10.0284 10.0284 10.4962 10.4962 10.7692 10.7692 12.9316 12.9316 12.9565 12.9565 12.9932 12.9932 13.0435 13.0435 13.0948 13.0948 k = 0.3587 0.5000 0.3587 ( 4034 PWs) bands (ev): -31.0242 -31.0242 -31.0175 -31.0175 -31.0109 -31.0109 -12.1661 -12.1661 -12.1053 -12.1053 -12.0884 -12.0884 -10.9036 -10.9036 -10.8557 -10.8557 -10.6140 -10.6140 -10.5971 -10.5971 -10.3985 -10.3985 -10.3621 -10.3621 -0.7054 -0.7054 -0.7020 -0.7020 1.4244 1.4244 1.4686 1.4686 1.4753 1.4753 3.1249 3.1249 5.2265 5.2265 7.8257 7.8257 8.0937 8.0937 8.1377 8.1377 9.9972 9.9972 10.4507 10.4507 10.7580 10.7580 12.9112 12.9112 12.9490 12.9490 13.0088 13.0088 13.0705 13.0705 13.1214 13.1214 k = 0.3478 0.5000 0.3478 ( 4034 PWs) bands (ev): -31.0252 -31.0252 -31.0175 -31.0175 -31.0099 -31.0099 -12.1636 -12.1636 -12.1050 -12.1050 -12.0853 -12.0853 -10.8995 -10.8995 -10.8525 -10.8525 -10.6174 -10.6174 -10.5980 -10.5980 -10.4056 -10.4056 -10.3642 -10.3642 -0.7052 -0.7052 -0.7014 -0.7014 1.4259 1.4259 1.4683 1.4683 1.4759 1.4759 3.0807 3.0807 5.2309 5.2309 7.8396 7.8396 8.1399 8.1399 8.1950 8.1950 9.9662 9.9662 10.4070 10.4070 10.7478 10.7478 12.8865 12.8865 12.9247 12.9247 13.0400 13.0400 13.0958 13.0958 13.1473 13.1473 k = 0.3370 0.5000 0.3370 ( 4030 PWs) bands (ev): -31.0262 -31.0262 -31.0175 -31.0175 -31.0089 -31.0089 -12.1613 -12.1613 -12.1046 -12.1046 -12.0819 -12.0819 -10.8954 -10.8954 -10.8491 -10.8491 -10.6209 -10.6209 -10.5990 -10.5990 -10.4129 -10.4129 -10.3663 -10.3663 -0.7049 -0.7049 -0.7007 -0.7007 1.4274 1.4274 1.4680 1.4680 1.4765 1.4765 3.0352 3.0352 5.2346 5.2346 7.8551 7.8551 8.1866 8.1866 8.2557 8.2557 9.9358 9.9358 10.3659 10.3659 10.7387 10.7387 12.8587 12.8587 12.8960 12.8960 13.0749 13.0749 13.1191 13.1191 13.1707 13.1707 k = 0.3261 0.5000 0.3261 ( 4022 PWs) bands (ev): -31.0273 -31.0273 -31.0176 -31.0176 -31.0078 -31.0078 -12.1592 -12.1592 -12.1041 -12.1041 -12.0782 -12.0782 -10.8912 -10.8912 -10.8453 -10.8453 -10.6246 -10.6246 -10.6000 -10.6000 -10.4205 -10.4205 -10.3685 -10.3685 -0.7047 -0.7047 -0.7001 -0.7001 1.4290 1.4290 1.4676 1.4676 1.4770 1.4770 2.9885 2.9885 5.2373 5.2373 7.8725 7.8725 8.2335 8.2335 8.3198 8.3198 9.9061 9.9061 10.3280 10.3280 10.7305 10.7305 12.8281 12.8281 12.8646 12.8646 13.1116 13.1116 13.1403 13.1403 13.1907 13.1907 k = 0.3152 0.5000 0.3152 ( 4018 PWs) bands (ev): -31.0284 -31.0284 -31.0176 -31.0176 -31.0067 -31.0067 -12.1573 -12.1573 -12.1035 -12.1035 -12.0743 -12.0743 -10.8869 -10.8869 -10.8413 -10.8413 -10.6283 -10.6283 -10.6010 -10.6010 -10.4282 -10.4282 -10.3708 -10.3708 -0.7045 -0.7045 -0.6995 -0.6995 1.4306 1.4306 1.4672 1.4672 1.4775 1.4775 2.9409 2.9409 5.2389 5.2389 7.8919 7.8919 8.2800 8.2800 8.3869 8.3869 9.8775 9.8775 10.2939 10.2939 10.7234 10.7234 12.7948 12.7948 12.8311 12.8311 13.1498 13.1498 13.1592 13.1592 13.2070 13.2070 k = 0.3043 0.5000 0.3043 ( 4026 PWs) bands (ev): -31.0296 -31.0296 -31.0176 -31.0176 -31.0056 -31.0056 -12.1557 -12.1557 -12.1028 -12.1028 -12.0702 -12.0702 -10.8826 -10.8826 -10.8369 -10.8369 -10.6321 -10.6321 -10.6021 -10.6021 -10.4360 -10.4360 -10.3731 -10.3731 -0.7042 -0.7042 -0.6989 -0.6989 1.4321 1.4321 1.4668 1.4668 1.4779 1.4779 2.8927 2.8927 5.2392 5.2392 7.9135 7.9135 8.3255 8.3255 8.4569 8.4569 9.8501 9.8501 10.2643 10.2643 10.7174 10.7174 12.7588 12.7588 12.7960 12.7960 13.1750 13.1750 13.1900 13.1900 13.2197 13.2197 k = 0.2935 0.5000 0.2935 ( 4022 PWs) bands (ev): -31.0308 -31.0308 -31.0176 -31.0176 -31.0045 -31.0045 -12.1543 -12.1543 -12.1020 -12.1020 -12.0659 -12.0659 -10.8784 -10.8784 -10.8323 -10.8323 -10.6360 -10.6360 -10.6032 -10.6032 -10.4439 -10.4439 -10.3754 -10.3754 -0.7040 -0.7040 -0.6984 -0.6984 1.4337 1.4337 1.4663 1.4663 1.4783 1.4783 2.8441 2.8441 5.2382 5.2382 7.9372 7.9372 8.3695 8.3695 8.5295 8.5295 9.8242 9.8242 10.2393 10.2393 10.7124 10.7124 12.7200 12.7200 12.7596 12.7596 13.1886 13.1886 13.2269 13.2269 13.2335 13.2335 k = 0.2826 0.5000 0.2826 ( 4026 PWs) bands (ev): -31.0320 -31.0320 -31.0176 -31.0176 -31.0033 -31.0033 -12.1532 -12.1532 -12.1011 -12.1011 -12.0615 -12.0615 -10.8741 -10.8741 -10.8275 -10.8275 -10.6398 -10.6398 -10.6044 -10.6044 -10.4519 -10.4519 -10.3777 -10.3777 -0.7038 -0.7038 -0.6979 -0.6979 1.4352 1.4352 1.4658 1.4658 1.4786 1.4786 2.7954 2.7954 5.2358 5.2358 7.9633 7.9633 8.4113 8.4113 8.6045 8.6045 9.8004 9.8004 10.2195 10.2195 10.7084 10.7084 12.6783 12.6783 12.7223 12.7223 13.1986 13.1986 13.2358 13.2358 13.2747 13.2747 k = 0.2717 0.5000 0.2717 ( 4018 PWs) bands (ev): -31.0333 -31.0333 -31.0177 -31.0177 -31.0021 -31.0021 -12.1524 -12.1524 -12.1000 -12.1000 -12.0569 -12.0569 -10.8700 -10.8700 -10.8224 -10.8224 -10.6435 -10.6435 -10.6057 -10.6057 -10.4598 -10.4598 -10.3800 -10.3800 -0.7036 -0.7036 -0.6975 -0.6975 1.4367 1.4367 1.4652 1.4652 1.4789 1.4789 2.7468 2.7468 5.2319 5.2319 7.9918 7.9918 8.4503 8.4503 8.6816 8.6816 9.7790 9.7790 10.2048 10.2048 10.7055 10.7055 12.6336 12.6336 12.6844 12.6844 13.2043 13.2043 13.2426 13.2426 13.3189 13.3189 k = 0.2609 0.5000 0.2609 ( 4026 PWs) bands (ev): -31.0345 -31.0345 -31.0177 -31.0177 -31.0009 -31.0009 -12.1520 -12.1520 -12.0989 -12.0989 -12.0523 -12.0523 -10.8659 -10.8659 -10.8171 -10.8171 -10.6471 -10.6471 -10.6070 -10.6070 -10.4678 -10.4678 -10.3823 -10.3823 -0.7035 -0.7035 -0.6971 -0.6971 1.4382 1.4382 1.4646 1.4646 1.4790 1.4790 2.6984 2.6984 5.2265 5.2265 8.0227 8.0227 8.4859 8.4859 8.7605 8.7605 9.7607 9.7607 10.1952 10.1952 10.7035 10.7035 12.5859 12.5859 12.6462 12.6462 13.2055 13.2055 13.2496 13.2496 13.3646 13.3646 k = 0.2500 0.5000 0.2500 ( 4016 PWs) bands (ev): -31.0357 -31.0357 -31.0177 -31.0177 -30.9997 -30.9997 -12.1518 -12.1518 -12.0976 -12.0976 -12.0475 -12.0475 -10.8619 -10.8619 -10.8117 -10.8117 -10.6506 -10.6506 -10.6083 -10.6083 -10.4757 -10.4757 -10.3844 -10.3844 -0.7034 -0.7034 -0.6967 -0.6967 1.4396 1.4396 1.4640 1.4640 1.4791 1.4791 2.6505 2.6505 5.2197 5.2197 8.0560 8.0560 8.5175 8.5175 8.8410 8.8410 9.7461 9.7461 10.1906 10.1906 10.7026 10.7026 12.5354 12.5354 12.6081 12.6081 13.2029 13.2029 13.2571 13.2571 13.4117 13.4117 k = 0.2391 0.5000 0.2391 ( 4018 PWs) bands (ev): -31.0370 -31.0370 -31.0177 -31.0177 -30.9985 -30.9985 -12.1518 -12.1518 -12.0963 -12.0963 -12.0428 -12.0428 -10.8581 -10.8581 -10.8062 -10.8062 -10.6538 -10.6538 -10.6097 -10.6097 -10.4835 -10.4835 -10.3865 -10.3865 -0.7033 -0.7033 -0.6964 -0.6964 1.4409 1.4409 1.4633 1.4633 1.4792 1.4792 2.6033 2.6033 5.2115 5.2115 8.0916 8.0916 8.5444 8.5444 8.9227 8.9227 9.7360 9.7360 10.1906 10.1906 10.7026 10.7026 12.4820 12.4820 12.5704 12.5704 13.1975 13.1975 13.2648 13.2648 13.4602 13.4602 k = 0.2283 0.5000 0.2283 ( 4022 PWs) bands (ev): -31.0382 -31.0382 -31.0177 -31.0177 -30.9973 -30.9973 -12.1521 -12.1521 -12.0949 -12.0949 -12.0382 -12.0382 -10.8544 -10.8544 -10.8006 -10.8006 -10.6567 -10.6567 -10.6111 -10.6111 -10.4913 -10.4913 -10.3885 -10.3885 -0.7032 -0.7032 -0.6961 -0.6961 1.4423 1.4423 1.4626 1.4626 1.4791 1.4791 2.5569 2.5569 5.2021 5.2021 8.1294 8.1294 8.5662 8.5662 9.0053 9.0053 9.7308 9.7308 10.1950 10.1950 10.7036 10.7036 12.4261 12.4261 12.5332 12.5332 13.1904 13.1904 13.2726 13.2726 13.5100 13.5100 k = 0.2174 0.5000 0.2174 ( 4014 PWs) bands (ev): -31.0395 -31.0395 -31.0178 -31.0178 -30.9961 -30.9961 -12.1526 -12.1526 -12.0935 -12.0935 -12.0335 -12.0335 -10.8508 -10.8508 -10.7951 -10.7951 -10.6593 -10.6593 -10.6126 -10.6126 -10.4989 -10.4989 -10.3904 -10.3904 -0.7032 -0.7032 -0.6958 -0.6958 1.4435 1.4435 1.4618 1.4618 1.4790 1.4790 2.5115 2.5115 5.1914 5.1914 8.1691 8.1691 8.5827 8.5827 9.0885 9.0885 9.7311 9.7311 10.2032 10.2032 10.7055 10.7055 12.3680 12.3680 12.4970 12.4970 13.1822 13.1822 13.2806 13.2806 13.5612 13.5612 k = 0.2065 0.5000 0.2065 ( 4018 PWs) bands (ev): -31.0407 -31.0407 -31.0178 -31.0178 -30.9949 -30.9949 -12.1534 -12.1534 -12.0920 -12.0920 -12.0290 -12.0290 -10.8475 -10.8475 -10.7896 -10.7896 -10.6615 -10.6615 -10.6142 -10.6142 -10.5065 -10.5065 -10.3921 -10.3921 -0.7033 -0.7033 -0.6956 -0.6956 1.4447 1.4447 1.4610 1.4610 1.4788 1.4788 2.4673 2.4673 5.1798 5.1798 8.2106 8.2106 8.5938 8.5938 9.1718 9.1718 9.7371 9.7371 10.2148 10.2148 10.7084 10.7084 12.3080 12.3080 12.4619 12.4619 13.1734 13.1734 13.2888 13.2888 13.6135 13.6135 k = 0.1957 0.5000 0.1957 ( 4018 PWs) bands (ev): -31.0419 -31.0419 -31.0178 -31.0178 -30.9937 -30.9937 -12.1542 -12.1542 -12.0904 -12.0904 -12.0246 -12.0246 -10.8444 -10.8444 -10.7841 -10.7841 -10.6634 -10.6634 -10.6158 -10.6158 -10.5139 -10.5139 -10.3937 -10.3937 -0.7033 -0.7033 -0.6954 -0.6954 1.4458 1.4458 1.4602 1.4602 1.4786 1.4786 2.4244 2.4244 5.1673 5.1673 8.2535 8.2535 8.5998 8.5998 9.2550 9.2550 9.7486 9.7486 10.2293 10.2293 10.7121 10.7121 12.2465 12.2465 12.4282 12.4282 13.1643 13.1643 13.2976 13.2976 13.6670 13.6670 k = 0.1848 0.5000 0.1848 ( 4026 PWs) bands (ev): -31.0430 -31.0430 -31.0178 -31.0178 -30.9926 -30.9926 -12.1552 -12.1552 -12.0889 -12.0889 -12.0203 -12.0203 -10.8415 -10.8415 -10.7787 -10.7787 -10.6648 -10.6648 -10.6174 -10.6174 -10.5212 -10.5212 -10.3951 -10.3951 -0.7035 -0.7035 -0.6952 -0.6952 1.4468 1.4468 1.4594 1.4594 1.4783 1.4783 2.3829 2.3829 5.1542 5.1542 8.2975 8.2975 8.6011 8.6011 9.3377 9.3377 9.7655 9.7655 10.2462 10.2462 10.7168 10.7168 12.1840 12.1840 12.3961 12.3961 13.1553 13.1553 13.3072 13.3072 13.7214 13.7214 k = 0.1739 0.5000 0.1739 ( 4022 PWs) bands (ev): -31.0442 -31.0442 -31.0179 -31.0179 -30.9915 -30.9915 -12.1564 -12.1564 -12.0874 -12.0874 -12.0162 -12.0162 -10.8389 -10.8389 -10.7734 -10.7734 -10.6657 -10.6657 -10.6191 -10.6191 -10.5283 -10.5283 -10.3963 -10.3963 -0.7036 -0.7036 -0.6951 -0.6951 1.4477 1.4477 1.4586 1.4586 1.4780 1.4780 2.3431 2.3431 5.1406 5.1406 8.3420 8.3420 8.5983 8.5983 9.4193 9.4193 9.7874 9.7874 10.2650 10.2650 10.7224 10.7224 12.1209 12.1209 12.3657 12.3657 13.1465 13.1465 13.3180 13.3180 13.7767 13.7767 k = 0.1630 0.5000 0.1630 ( 4022 PWs) bands (ev): -31.0453 -31.0453 -31.0179 -31.0179 -30.9905 -30.9905 -12.1576 -12.1576 -12.0859 -12.0859 -12.0123 -12.0123 -10.8366 -10.8366 -10.7682 -10.7682 -10.6662 -10.6662 -10.6209 -10.6209 -10.5353 -10.5353 -10.3974 -10.3974 -0.7039 -0.7039 -0.6949 -0.6949 1.4485 1.4485 1.4578 1.4578 1.4777 1.4777 2.3050 2.3050 5.1267 5.1267 8.3864 8.3864 8.5925 8.5925 9.4994 9.4994 9.8135 9.8135 10.2850 10.2850 10.7288 10.7288 12.0576 12.0576 12.3371 12.3371 13.1379 13.1379 13.3303 13.3303 13.8325 13.8325 k = 0.1522 0.5000 0.1522 ( 4018 PWs) bands (ev): -31.0463 -31.0463 -31.0179 -31.0179 -30.9894 -30.9894 -12.1589 -12.1589 -12.0844 -12.0844 -12.0086 -12.0086 -10.8346 -10.8346 -10.7630 -10.7630 -10.6664 -10.6664 -10.6227 -10.6227 -10.5421 -10.5421 -10.3982 -10.3982 -0.7041 -0.7041 -0.6948 -0.6948 1.4491 1.4491 1.4572 1.4572 1.4774 1.4774 2.2688 2.2688 5.1127 5.1127 8.4296 8.4296 8.5851 8.5851 9.5776 9.5776 9.8432 9.8432 10.3058 10.3058 10.7361 10.7361 11.9947 11.9947 12.3105 12.3105 13.1296 13.1296 13.3445 13.3445 13.8887 13.8887 k = 0.1413 0.5000 0.1413 ( 4022 PWs) bands (ev): -31.0473 -31.0473 -31.0179 -31.0179 -30.9885 -30.9885 -12.1602 -12.1602 -12.0829 -12.0829 -12.0051 -12.0051 -10.8329 -10.8329 -10.7579 -10.7579 -10.6662 -10.6662 -10.6244 -10.6244 -10.5487 -10.5487 -10.3989 -10.3989 -0.7044 -0.7044 -0.6947 -0.6947 1.4494 1.4494 1.4566 1.4566 1.4770 1.4770 2.2346 2.2346 5.0988 5.0988 8.4692 8.4692 8.5788 8.5788 9.6534 9.6534 9.8759 9.8759 10.3268 10.3268 10.7442 10.7442 11.9325 11.9325 12.2860 12.2860 13.1217 13.1217 13.3610 13.3610 13.9448 13.9448 k = 0.1304 0.5000 0.1304 ( 4022 PWs) bands (ev): -31.0482 -31.0482 -31.0179 -31.0179 -30.9876 -30.9876 -12.1615 -12.1615 -12.0815 -12.0815 -12.0019 -12.0019 -10.8315 -10.8315 -10.7528 -10.7528 -10.6658 -10.6658 -10.6262 -10.6262 -10.5552 -10.5552 -10.3994 -10.3994 -0.7047 -0.7047 -0.6946 -0.6946 1.4495 1.4495 1.4564 1.4564 1.4767 1.4767 2.2024 2.2024 5.0851 5.0851 8.4988 8.4988 8.5801 8.5801 9.7262 9.7262 9.9109 9.9109 10.3476 10.3476 10.7532 10.7532 11.8714 11.8714 12.2635 12.2635 13.1142 13.1142 13.3801 13.3801 14.0006 14.0006 k = 0.1196 0.5000 0.1196 ( 4020 PWs) bands (ev): -31.0491 -31.0491 -31.0180 -31.0180 -30.9867 -30.9867 -12.1628 -12.1628 -12.0802 -12.0802 -11.9988 -11.9988 -10.8304 -10.8304 -10.7477 -10.7477 -10.6653 -10.6653 -10.6278 -10.6278 -10.5615 -10.5615 -10.3998 -10.3998 -0.7050 -0.7050 -0.6945 -0.6945 1.4493 1.4493 1.4563 1.4563 1.4764 1.4764 2.1724 2.1724 5.0719 5.0719 8.5086 8.5086 8.5991 8.5991 9.7953 9.7953 9.9475 9.9475 10.3675 10.3675 10.7628 10.7628 11.8120 11.8120 12.2432 12.2432 13.1070 13.1070 13.4023 13.4023 14.0556 14.0556 k = 0.1087 0.5000 0.1087 ( 4028 PWs) bands (ev): -31.0499 -31.0499 -31.0180 -31.0180 -30.9859 -30.9859 -12.1641 -12.1641 -12.0790 -12.0790 -11.9961 -11.9961 -10.8295 -10.8295 -10.7427 -10.7427 -10.6648 -10.6648 -10.6293 -10.6293 -10.5675 -10.5675 -10.4000 -10.4000 -0.7054 -0.7054 -0.6944 -0.6944 1.4488 1.4488 1.4564 1.4564 1.4761 1.4761 2.1447 2.1447 5.0594 5.0594 8.5032 8.5032 8.6312 8.6312 9.8602 9.8602 9.9852 9.9852 10.3863 10.3863 10.7729 10.7729 11.7547 11.7547 12.2250 12.2250 13.1003 13.1003 13.4277 13.4277 14.1091 14.1091 k = 0.0978 0.5000 0.0978 ( 4022 PWs) bands (ev): -31.0507 -31.0507 -31.0180 -31.0180 -30.9852 -30.9852 -12.1653 -12.1653 -12.0778 -12.0778 -11.9936 -11.9936 -10.8289 -10.8289 -10.7376 -10.7376 -10.6646 -10.6646 -10.6304 -10.6304 -10.5734 -10.5734 -10.4000 -10.4000 -0.7057 -0.7057 -0.6943 -0.6943 1.4483 1.4483 1.4567 1.4567 1.4758 1.4758 2.1193 2.1193 5.0475 5.0475 8.4923 8.4923 8.6668 8.6668 9.9203 9.9203 10.0236 10.0236 10.4036 10.4036 10.7835 10.7835 11.6999 11.6999 12.2088 12.2088 13.0940 13.0940 13.4567 13.4567 14.1603 14.1603 k = 0.0870 0.5000 0.0870 ( 4026 PWs) bands (ev): -31.0514 -31.0514 -31.0180 -31.0180 -30.9845 -30.9845 -12.1665 -12.1665 -12.0768 -12.0768 -11.9913 -11.9913 -10.8285 -10.8285 -10.7325 -10.7325 -10.6647 -10.6647 -10.6311 -10.6311 -10.5790 -10.5790 -10.4000 -10.4000 -0.7060 -0.7060 -0.6942 -0.6942 1.4476 1.4476 1.4571 1.4571 1.4756 1.4756 2.0964 2.0964 5.0366 5.0366 8.4801 8.4801 8.7017 8.7017 9.9747 9.9747 10.0619 10.0619 10.4191 10.4191 10.7941 10.7941 11.6483 11.6483 12.1947 12.1947 13.0883 13.0883 13.4891 13.4891 14.2057 14.2057 k = 0.0761 0.5000 0.0761 ( 4026 PWs) bands (ev): -31.0520 -31.0520 -31.0180 -31.0180 -30.9839 -30.9839 -12.1676 -12.1676 -12.0758 -12.0758 -11.9893 -11.9893 -10.8282 -10.8282 -10.7274 -10.7274 -10.6654 -10.6654 -10.6313 -10.6313 -10.5843 -10.5843 -10.3999 -10.3999 -0.7064 -0.7064 -0.6942 -0.6942 1.4469 1.4469 1.4574 1.4574 1.4753 1.4753 2.0760 2.0760 5.0267 5.0267 8.4678 8.4678 8.7343 8.7343 10.0231 10.0231 10.0995 10.0995 10.4328 10.4328 10.8045 10.8045 11.6003 11.6003 12.1825 12.1825 13.0830 13.0830 13.5249 13.5249 14.1976 14.1976 k = 0.0652 0.5000 0.0652 ( 4022 PWs) bands (ev): -31.0525 -31.0525 -31.0180 -31.0180 -30.9834 -30.9834 -12.1685 -12.1685 -12.0750 -12.0750 -11.9876 -11.9876 -10.8281 -10.8281 -10.7224 -10.7224 -10.6667 -10.6667 -10.6308 -10.6308 -10.5894 -10.5894 -10.3997 -10.3997 -0.7066 -0.7066 -0.6941 -0.6941 1.4462 1.4462 1.4577 1.4577 1.4751 1.4751 2.0582 2.0582 5.0178 5.0178 8.4564 8.4564 8.7639 8.7639 10.0652 10.0652 10.1355 10.1355 10.4444 10.4444 10.8145 10.8145 11.5566 11.5566 12.1722 12.1722 13.0783 13.0783 13.5636 13.5636 14.1789 14.1789 k = 0.0543 0.5000 0.0543 ( 4026 PWs) bands (ev): -31.0530 -31.0530 -31.0180 -31.0180 -30.9829 -30.9829 -12.1694 -12.1694 -12.0743 -12.0743 -11.9861 -11.9861 -10.8280 -10.8280 -10.7175 -10.7175 -10.6686 -10.6686 -10.6297 -10.6297 -10.5942 -10.5942 -10.3995 -10.3995 -0.7069 -0.7069 -0.6940 -0.6940 1.4456 1.4456 1.4581 1.4581 1.4750 1.4750 2.0430 2.0430 5.0102 5.0102 8.4461 8.4461 8.7898 8.7898 10.1009 10.1009 10.1687 10.1687 10.4541 10.4541 10.8236 10.8236 11.5178 11.5178 12.1636 12.1636 13.0742 13.0742 13.6044 13.6044 14.1639 14.1639 k = 0.0435 0.5000 0.0435 ( 4022 PWs) bands (ev): -31.0533 -31.0533 -31.0180 -31.0180 -30.9826 -30.9826 -12.1701 -12.1701 -12.0737 -12.0737 -11.9849 -11.9849 -10.8280 -10.8280 -10.7127 -10.7127 -10.6709 -10.6709 -10.6281 -10.6281 -10.5988 -10.5988 -10.3993 -10.3993 -0.7071 -0.7071 -0.6940 -0.6940 1.4451 1.4451 1.4583 1.4583 1.4748 1.4748 2.0306 2.0306 5.0039 5.0039 8.4375 8.4375 8.8116 8.8116 10.1303 10.1303 10.1977 10.1977 10.4618 10.4618 10.8316 10.8316 11.4848 11.4848 12.1568 12.1568 13.0708 13.0708 13.6457 13.6457 14.1538 14.1538 k = 0.0326 0.5000 0.0326 ( 4024 PWs) bands (ev): -31.0536 -31.0536 -31.0180 -31.0180 -30.9823 -30.9823 -12.1706 -12.1706 -12.0732 -12.0732 -11.9840 -11.9840 -10.8280 -10.8280 -10.7083 -10.7083 -10.6736 -10.6736 -10.6261 -10.6261 -10.6029 -10.6029 -10.3992 -10.3992 -0.7073 -0.7073 -0.6940 -0.6940 1.4447 1.4447 1.4585 1.4585 1.4747 1.4747 2.0208 2.0208 4.9989 4.9989 8.4305 8.4305 8.8290 8.8290 10.1535 10.1535 10.2214 10.2214 10.4677 10.4677 10.8381 10.8381 11.4581 11.4581 12.1516 12.1516 13.0681 13.0681 13.6849 13.6849 14.1496 14.1496 k = 0.0217 0.5000 0.0217 ( 4036 PWs) bands (ev): -31.0538 -31.0538 -31.0181 -31.0181 -30.9821 -30.9821 -12.1711 -12.1711 -12.0729 -12.0729 -11.9833 -11.9833 -10.8281 -10.8281 -10.7044 -10.7044 -10.6763 -10.6763 -10.6239 -10.6239 -10.6066 -10.6066 -10.3990 -10.3990 -0.7074 -0.7074 -0.6940 -0.6940 1.4444 1.4444 1.4587 1.4587 1.4747 1.4747 2.0138 2.0138 4.9953 4.9953 8.4254 8.4254 8.8415 8.8415 10.1703 10.1703 10.2390 10.2390 10.4719 10.4719 10.8429 10.8429 11.4384 11.4384 12.1479 12.1479 13.0662 13.0662 13.7185 13.7185 14.1526 14.1526 k = 0.0109 0.5000 0.0109 ( 4036 PWs) bands (ev): -31.0540 -31.0540 -31.0181 -31.0181 -30.9819 -30.9819 -12.1713 -12.1713 -12.0727 -12.0727 -11.9829 -11.9829 -10.8281 -10.8281 -10.7015 -10.7015 -10.6785 -10.6785 -10.6218 -10.6218 -10.6096 -10.6096 -10.3989 -10.3989 -0.7075 -0.7075 -0.6939 -0.6939 1.4442 1.4442 1.4588 1.4588 1.4746 1.4746 2.0096 2.0096 4.9931 4.9931 8.4223 8.4223 8.8491 8.8491 10.1805 10.1805 10.2498 10.2498 10.4743 10.4743 10.8459 10.8459 11.4264 11.4264 12.1457 12.1457 13.0650 13.0650 13.7418 13.7418 14.1641 14.1641 k = 0.0000 0.5000-0.0000 ( 4068 PWs) bands (ev): -31.0540 -31.0540 -31.0181 -31.0181 -30.9819 -30.9819 -12.1714 -12.1714 -12.0726 -12.0726 -11.9828 -11.9828 -10.8281 -10.8281 -10.7005 -10.7005 -10.6793 -10.6793 -10.6209 -10.6209 -10.6108 -10.6108 -10.3989 -10.3989 -0.7076 -0.7076 -0.6940 -0.6940 1.4441 1.4441 1.4588 1.4588 1.4746 1.4746 2.0082 2.0082 4.9924 4.9924 8.4213 8.4213 8.8517 8.8517 10.1839 10.1839 10.2534 10.2534 10.4751 10.4751 10.8468 10.8468 11.4223 11.4223 12.1449 12.1449 13.0646 13.0646 13.7501 13.7501 14.1876 14.1879 k = 0.5000 0.5000-0.0000 ( 4012 PWs) bands (ev): -31.0179 -31.0179 -31.0177 -31.0177 -31.0177 -31.0177 -12.1105 -12.1105 -12.0959 -12.0959 -12.0716 -12.0716 -10.8090 -10.8090 -10.8058 -10.8058 -10.6931 -10.6931 -10.5967 -10.5967 -10.5320 -10.5320 -10.3887 -10.3887 -0.6962 -0.6962 -0.6961 -0.6961 1.4432 1.4432 1.4676 1.4676 1.4911 1.4911 2.7229 2.7229 5.3813 5.3813 7.8511 7.8511 7.9016 7.9016 9.6259 9.6259 9.6839 9.6839 10.0146 10.0146 10.4855 10.4855 12.8895 12.8895 12.8991 12.8991 12.9270 12.9270 12.9766 12.9766 13.3917 13.3917 k = 0.5000 0.5000 0.0152 ( 4020 PWs) bands (ev): -31.0179 -31.0179 -31.0177 -31.0177 -31.0177 -31.0177 -12.1107 -12.1107 -12.0959 -12.0959 -12.0717 -12.0717 -10.8096 -10.8096 -10.8061 -10.8061 -10.6926 -10.6926 -10.5969 -10.5969 -10.5313 -10.5313 -10.3886 -10.3886 -0.6962 -0.6962 -0.6961 -0.6961 1.4431 1.4431 1.4676 1.4676 1.4911 1.4911 2.7242 2.7242 5.3808 5.3808 7.8510 7.8510 7.9013 7.9013 9.6212 9.6212 9.6845 9.6845 10.0156 10.0156 10.4863 10.4863 12.8873 12.8873 12.8984 12.8984 12.9308 12.9308 12.9789 12.9789 13.3916 13.3916 k = 0.5000 0.5000 0.0303 ( 4036 PWs) bands (ev): -31.0179 -31.0179 -31.0177 -31.0177 -31.0177 -31.0177 -12.1112 -12.1112 -12.0960 -12.0960 -12.0720 -12.0720 -10.8113 -10.8113 -10.8068 -10.8068 -10.6910 -10.6910 -10.5974 -10.5974 -10.5292 -10.5292 -10.3883 -10.3883 -0.6963 -0.6963 -0.6962 -0.6962 1.4429 1.4429 1.4676 1.4676 1.4909 1.4909 2.7281 2.7281 5.3793 5.3793 7.8508 7.8508 7.9007 7.9007 9.6072 9.6072 9.6865 9.6865 10.0186 10.0186 10.4885 10.4885 12.8827 12.8827 12.8968 12.8968 12.9405 12.9405 12.9854 12.9854 13.3911 13.3911 k = 0.5000 0.5000 0.0455 ( 4036 PWs) bands (ev): -31.0179 -31.0179 -31.0177 -31.0177 -31.0177 -31.0177 -12.1121 -12.1121 -12.0962 -12.0962 -12.0724 -12.0724 -10.8140 -10.8140 -10.8080 -10.8080 -10.6885 -10.6885 -10.5982 -10.5982 -10.5258 -10.5258 -10.3879 -10.3879 -0.6964 -0.6964 -0.6963 -0.6963 1.4426 1.4426 1.4676 1.4676 1.4906 1.4906 2.7347 2.7347 5.3768 5.3768 7.8504 7.8504 7.8996 7.8996 9.5841 9.5841 9.6899 9.6899 10.0236 10.0236 10.4922 10.4922 12.8780 12.8780 12.8949 12.8949 12.9535 12.9535 12.9952 12.9952 13.3899 13.3899 k = 0.5000 0.5000 0.0606 ( 4020 PWs) bands (ev): -31.0178 -31.0178 -31.0177 -31.0177 -31.0177 -31.0177 -12.1134 -12.1134 -12.0963 -12.0963 -12.0729 -12.0729 -10.8175 -10.8175 -10.8097 -10.8097 -10.6852 -10.6852 -10.5991 -10.5991 -10.5212 -10.5212 -10.3874 -10.3874 -0.6966 -0.6966 -0.6965 -0.6965 1.4423 1.4423 1.4677 1.4677 1.4902 1.4902 2.7438 2.7438 5.3734 5.3734 7.8498 7.8498 7.8981 7.8981 9.5521 9.5521 9.6947 9.6947 10.0307 10.0307 10.4974 10.4974 12.8744 12.8744 12.8934 12.8934 12.9685 12.9685 13.0074 13.0074 13.3877 13.3877 k = 0.5000 0.5000 0.0758 ( 4016 PWs) bands (ev): -31.0178 -31.0178 -31.0177 -31.0177 -31.0177 -31.0177 -12.1150 -12.1150 -12.0965 -12.0965 -12.0736 -12.0736 -10.8218 -10.8218 -10.8118 -10.8118 -10.6812 -10.6812 -10.6000 -10.6000 -10.5158 -10.5158 -10.3866 -10.3866 -0.6968 -0.6968 -0.6967 -0.6967 1.4418 1.4418 1.4677 1.4677 1.4897 1.4897 2.7555 2.7555 5.3690 5.3690 7.8490 7.8490 7.8961 7.8961 9.5118 9.5118 9.7009 9.7009 10.0401 10.0401 10.5040 10.5040 12.8723 12.8723 12.8929 12.8929 12.9849 12.9849 13.0212 13.0212 13.3837 13.3837 k = 0.5000 0.5000 0.0909 ( 4016 PWs) bands (ev): -31.0178 -31.0178 -31.0177 -31.0177 -31.0177 -31.0177 -12.1170 -12.1170 -12.0968 -12.0968 -12.0744 -12.0744 -10.8266 -10.8266 -10.8142 -10.8142 -10.6768 -10.6768 -10.6009 -10.6009 -10.5095 -10.5095 -10.3857 -10.3857 -0.6970 -0.6970 -0.6970 -0.6970 1.4412 1.4412 1.4677 1.4677 1.4890 1.4890 2.7696 2.7696 5.3638 5.3638 7.8479 7.8479 7.8936 7.8936 9.4637 9.4637 9.7088 9.7088 10.0516 10.0516 10.5119 10.5119 12.8716 12.8716 12.8936 12.8936 13.0020 13.0020 13.0360 13.0360 13.3774 13.3774 k = 0.5000 0.5000 0.1061 ( 4024 PWs) bands (ev): -31.0178 -31.0178 -31.0177 -31.0177 -31.0177 -31.0177 -12.1192 -12.1192 -12.0971 -12.0971 -12.0754 -12.0754 -10.8319 -10.8319 -10.8169 -10.8169 -10.6721 -10.6721 -10.6016 -10.6016 -10.5026 -10.5026 -10.3847 -10.3847 -0.6974 -0.6974 -0.6973 -0.6973 1.4404 1.4404 1.4678 1.4678 1.4883 1.4883 2.7862 2.7862 5.3578 5.3578 7.8465 7.8465 7.8907 7.8907 9.4085 9.4085 9.7183 9.7183 10.0656 10.0656 10.5211 10.5211 12.8726 12.8726 12.8956 12.8956 13.0196 13.0196 13.0511 13.0511 13.3683 13.3683 k = 0.5000 0.5000 0.1212 ( 4032 PWs) bands (ev): -31.0178 -31.0178 -31.0177 -31.0177 -31.0176 -31.0176 -12.1217 -12.1217 -12.0974 -12.0974 -12.0765 -12.0765 -10.8374 -10.8374 -10.8199 -10.8199 -10.6671 -10.6671 -10.6022 -10.6022 -10.4952 -10.4952 -10.3835 -10.3835 -0.6977 -0.6977 -0.6976 -0.6976 1.4396 1.4396 1.4679 1.4679 1.4875 1.4875 2.8051 2.8051 5.3510 5.3510 7.8448 7.8448 7.8873 7.8873 9.3467 9.3467 9.7296 9.7296 10.0819 10.0819 10.5315 10.5315 12.8751 12.8751 12.8991 12.8991 13.0371 13.0371 13.0661 13.0661 13.3558 13.3558 k = 0.5000 0.5000 0.1364 ( 4040 PWs) bands (ev): -31.0178 -31.0178 -31.0176 -31.0176 -31.0176 -31.0176 -12.1245 -12.1245 -12.0978 -12.0978 -12.0777 -12.0777 -10.8432 -10.8432 -10.8230 -10.8230 -10.6620 -10.6620 -10.6026 -10.6026 -10.4874 -10.4874 -10.3822 -10.3822 -0.6981 -0.6981 -0.6980 -0.6980 1.4387 1.4387 1.4679 1.4679 1.4867 1.4867 2.8262 2.8262 5.3435 5.3435 7.8428 7.8428 7.8833 7.8833 9.2792 9.2792 9.7426 9.7426 10.1008 10.1008 10.5430 10.5430 12.8791 12.8791 12.9040 12.9040 13.0540 13.0540 13.0802 13.0802 13.3397 13.3397 k = 0.5000 0.5000 0.1515 ( 4040 PWs) bands (ev): -31.0178 -31.0178 -31.0176 -31.0176 -31.0176 -31.0176 -12.1275 -12.1275 -12.0982 -12.0982 -12.0790 -12.0790 -10.8490 -10.8490 -10.8263 -10.8263 -10.6568 -10.6568 -10.6029 -10.6029 -10.4792 -10.4792 -10.3808 -10.3808 -0.6985 -0.6985 -0.6984 -0.6984 1.4376 1.4376 1.4680 1.4680 1.4858 1.4858 2.8495 2.8495 5.3354 5.3354 7.8403 7.8403 7.8789 7.8789 9.2067 9.2067 9.7576 9.7576 10.1222 10.1222 10.5556 10.5556 12.8845 12.8845 12.9102 12.9102 13.0698 13.0698 13.0930 13.0930 13.3199 13.3199 k = 0.5000 0.5000 0.1667 ( 4052 PWs) bands (ev): -31.0177 -31.0177 -31.0176 -31.0176 -31.0176 -31.0176 -12.1308 -12.1308 -12.0986 -12.0986 -12.0805 -12.0805 -10.8550 -10.8550 -10.8297 -10.8297 -10.6517 -10.6517 -10.6029 -10.6029 -10.4709 -10.4709 -10.3792 -10.3792 -0.6990 -0.6990 -0.6989 -0.6989 1.4365 1.4365 1.4681 1.4681 1.4848 1.4848 2.8748 2.8748 5.3268 5.3268 7.8374 7.8374 7.8740 7.8740 9.1299 9.1299 9.7745 9.7745 10.1462 10.1462 10.5692 10.5692 12.8912 12.8912 12.9178 12.9178 13.0842 13.0842 13.1039 13.1039 13.2965 13.2965 k = 0.5000 0.5000 0.1818 ( 4044 PWs) bands (ev): -31.0177 -31.0177 -31.0176 -31.0176 -31.0176 -31.0176 -12.1341 -12.1341 -12.0991 -12.0991 -12.0819 -12.0819 -10.8608 -10.8608 -10.8330 -10.8330 -10.6467 -10.6467 -10.6028 -10.6028 -10.4624 -10.4624 -10.3776 -10.3776 -0.6994 -0.6994 -0.6993 -0.6993 1.4353 1.4353 1.4682 1.4682 1.4838 1.4838 2.9019 2.9019 5.3177 5.3177 7.8340 7.8340 7.8687 7.8687 9.0496 9.0496 9.7934 9.7934 10.1728 10.1728 10.5836 10.5836 12.8990 12.8990 12.9265 12.9265 13.0964 13.0964 13.1124 13.1124 13.2698 13.2698 k = 0.5000 0.5000 0.1970 ( 4028 PWs) bands (ev): -31.0177 -31.0177 -31.0176 -31.0176 -31.0176 -31.0176 -12.1376 -12.1376 -12.0995 -12.0995 -12.0835 -12.0835 -10.8667 -10.8667 -10.8364 -10.8364 -10.6417 -10.6417 -10.6026 -10.6026 -10.4538 -10.4538 -10.3758 -10.3758 -0.6999 -0.6999 -0.6998 -0.6998 1.4341 1.4341 1.4683 1.4683 1.4829 1.4829 2.9308 2.9308 5.3083 5.3083 7.8303 7.8303 7.8629 7.8629 8.9665 8.9665 9.8143 9.8143 10.2020 10.2020 10.5988 10.5988 12.9078 12.9078 12.9363 12.9363 13.1061 13.1061 13.1180 13.1180 13.2402 13.2402 k = 0.5000 0.5000 0.2121 ( 4024 PWs) bands (ev): -31.0177 -31.0177 -31.0176 -31.0176 -31.0176 -31.0176 -12.1412 -12.1412 -12.1000 -12.1000 -12.0851 -12.0851 -10.8724 -10.8724 -10.8397 -10.8397 -10.6369 -10.6369 -10.6022 -10.6022 -10.4453 -10.4453 -10.3740 -10.3740 -0.7004 -0.7004 -0.7003 -0.7003 1.4328 1.4328 1.4684 1.4684 1.4818 1.4818 2.9612 2.9612 5.2987 5.2987 7.8261 7.8261 7.8567 7.8567 8.8814 8.8814 9.8370 9.8370 10.2338 10.2338 10.6147 10.6147 12.9175 12.9175 12.9470 12.9470 13.1127 13.1127 13.1203 13.1203 13.2083 13.2083 k = 0.5000 0.5000 0.2273 ( 4032 PWs) bands (ev): -31.0177 -31.0177 -31.0176 -31.0176 -31.0176 -31.0176 -12.1449 -12.1449 -12.1005 -12.1005 -12.0868 -12.0868 -10.8780 -10.8780 -10.8430 -10.8430 -10.6323 -10.6323 -10.6017 -10.6017 -10.4368 -10.4368 -10.3721 -10.3721 -0.7010 -0.7010 -0.7009 -0.7009 1.4314 1.4314 1.4685 1.4685 1.4808 1.4808 2.9929 2.9929 5.2889 5.2889 7.8215 7.8215 7.8502 7.8502 8.7950 8.7950 9.8615 9.8615 10.2680 10.2680 10.6312 10.6312 12.9277 12.9277 12.9585 12.9585 13.1158 13.1158 13.1188 13.1188 13.1747 13.1747 k = 0.5000 0.5000 0.2424 ( 4032 PWs) bands (ev): -31.0176 -31.0176 -31.0175 -31.0175 -31.0175 -31.0175 -12.1487 -12.1487 -12.1011 -12.1011 -12.0884 -12.0884 -10.8834 -10.8834 -10.8462 -10.8462 -10.6279 -10.6279 -10.6011 -10.6011 -10.4285 -10.4285 -10.3702 -10.3702 -0.7015 -0.7015 -0.7014 -0.7014 1.4299 1.4299 1.4686 1.4686 1.4798 1.4798 3.0257 3.0257 5.2790 5.2790 7.8165 7.8165 7.8434 7.8434 8.7080 8.7080 9.8877 9.8877 10.3046 10.3046 10.6482 10.6482 12.9383 12.9383 12.9707 12.9707 13.1134 13.1134 13.1147 13.1147 13.1406 13.1406 k = 0.5000 0.5000 0.2576 ( 4032 PWs) bands (ev): -31.0176 -31.0176 -31.0175 -31.0175 -31.0175 -31.0175 -12.1524 -12.1524 -12.1016 -12.1016 -12.0901 -12.0901 -10.8886 -10.8886 -10.8492 -10.8492 -10.6237 -10.6237 -10.6004 -10.6004 -10.4203 -10.4203 -10.3682 -10.3682 -0.7020 -0.7020 -0.7019 -0.7019 1.4285 1.4285 1.4688 1.4688 1.4789 1.4789 3.0594 3.0594 5.2691 5.2691 7.8112 7.8112 7.8364 7.8364 8.6211 8.6211 9.9153 9.9153 10.3433 10.3433 10.6657 10.6657 12.9490 12.9490 12.9833 12.9833 13.1011 13.1011 13.1038 13.1038 13.1147 13.1147 k = 0.5000 0.5000 0.2727 ( 4032 PWs) bands (ev): -31.0176 -31.0176 -31.0175 -31.0175 -31.0175 -31.0175 -12.1561 -12.1561 -12.1021 -12.1021 -12.0918 -12.0918 -10.8936 -10.8936 -10.8521 -10.8521 -10.6198 -10.6198 -10.5996 -10.5996 -10.4124 -10.4124 -10.3662 -10.3662 -0.7025 -0.7025 -0.7025 -0.7025 1.4270 1.4270 1.4689 1.4689 1.4779 1.4779 3.0937 3.0937 5.2593 5.2593 7.8057 7.8057 7.8292 7.8292 8.5349 8.5349 9.9442 9.9442 10.3840 10.3840 10.6835 10.6835 12.9593 12.9593 12.9962 12.9962 13.0680 13.0680 13.0901 13.0901 13.1045 13.1045 k = 0.5000 0.5000 0.2879 ( 4024 PWs) bands (ev): -31.0176 -31.0176 -31.0175 -31.0175 -31.0175 -31.0175 -12.1597 -12.1597 -12.1026 -12.1026 -12.0934 -12.0934 -10.8983 -10.8983 -10.8549 -10.8549 -10.6161 -10.6161 -10.5988 -10.5988 -10.4048 -10.4048 -10.3643 -10.3643 -0.7031 -0.7031 -0.7030 -0.7030 1.4256 1.4256 1.4690 1.4690 1.4770 1.4770 3.1283 3.1283 5.2497 5.2497 7.8000 7.8000 7.8220 7.8220 8.4501 8.4501 9.9740 9.9740 10.4265 10.4265 10.7016 10.7016 12.9682 12.9682 13.0093 13.0093 13.0345 13.0345 13.0724 13.0724 13.0926 13.0926 k = 0.5000 0.5000 0.3030 ( 4024 PWs) bands (ev): -31.0175 -31.0175 -31.0175 -31.0175 -31.0175 -31.0175 -12.1632 -12.1632 -12.1031 -12.1031 -12.0950 -12.0950 -10.9028 -10.9028 -10.8575 -10.8575 -10.6126 -10.6126 -10.5980 -10.5980 -10.3975 -10.3975 -10.3623 -10.3623 -0.7036 -0.7036 -0.7035 -0.7035 1.4241 1.4241 1.4691 1.4691 1.4761 1.4761 3.1629 3.1629 5.2403 5.2403 7.7942 7.7942 7.8148 7.8148 8.3674 8.3674 10.0044 10.0044 10.4702 10.4702 10.7200 10.7200 12.9718 12.9718 13.0054 13.0054 13.0222 13.0222 13.0511 13.0511 13.0784 13.0784 k = 0.5000 0.5000 0.3182 ( 4024 PWs) bands (ev): -31.0175 -31.0175 -31.0175 -31.0175 -31.0175 -31.0175 -12.1666 -12.1666 -12.1036 -12.1036 -12.0966 -12.0966 -10.9070 -10.9070 -10.8599 -10.8599 -10.6094 -10.6094 -10.5972 -10.5972 -10.3906 -10.3906 -10.3605 -10.3605 -0.7041 -0.7041 -0.7040 -0.7040 1.4227 1.4227 1.4693 1.4693 1.4753 1.4753 3.1971 3.1971 5.2314 5.2314 7.7884 7.7884 7.8077 7.8077 8.2874 8.2874 10.0351 10.0351 10.5150 10.5150 10.7385 10.7385 12.9566 12.9566 12.9924 12.9924 13.0248 13.0248 13.0365 13.0365 13.0641 13.0641 k = 0.5000 0.5000 0.3333 ( 4024 PWs) bands (ev): -31.0175 -31.0175 -31.0175 -31.0175 -31.0175 -31.0175 -12.1699 -12.1699 -12.1041 -12.1041 -12.0981 -12.0981 -10.9109 -10.9109 -10.8621 -10.8621 -10.6065 -10.6065 -10.5964 -10.5964 -10.3841 -10.3841 -10.3586 -10.3586 -0.7045 -0.7045 -0.7045 -0.7045 1.4213 1.4213 1.4694 1.4694 1.4745 1.4745 3.2307 3.2307 5.2228 5.2228 7.7827 7.7827 7.8008 7.8008 8.2108 8.2108 10.0655 10.0655 10.5603 10.5603 10.7570 10.7570 12.9290 12.9290 12.9855 12.9855 12.9980 12.9980 13.0482 13.0482 13.0541 13.0541 k = 0.5000 0.5000 0.3485 ( 4016 PWs) bands (ev): -31.0175 -31.0175 -31.0174 -31.0174 -31.0174 -31.0174 -12.1729 -12.1729 -12.1045 -12.1045 -12.0995 -12.0995 -10.9145 -10.9145 -10.8642 -10.8642 -10.6038 -10.6038 -10.5956 -10.5956 -10.3780 -10.3780 -10.3569 -10.3569 -0.7050 -0.7050 -0.7049 -0.7049 1.4200 1.4200 1.4695 1.4695 1.4738 1.4738 3.2632 3.2632 5.2148 5.2148 7.7771 7.7771 7.7941 7.7941 8.1383 8.1383 10.0953 10.0953 10.6056 10.6056 10.7754 10.7754 12.9007 12.9007 12.9683 12.9683 12.9699 12.9699 13.0522 13.0522 13.0600 13.0600 k = 0.5000 0.5000 0.3636 ( 4024 PWs) bands (ev): -31.0175 -31.0175 -31.0174 -31.0174 -31.0174 -31.0174 -12.1758 -12.1758 -12.1049 -12.1049 -12.1008 -12.1008 -10.9178 -10.9178 -10.8660 -10.8660 -10.6014 -10.6014 -10.5949 -10.5949 -10.3724 -10.3724 -10.3553 -10.3553 -0.7054 -0.7054 -0.7054 -0.7054 1.4188 1.4188 1.4696 1.4696 1.4732 1.4732 3.2943 3.2943 5.2073 5.2073 7.7718 7.7718 7.7878 7.7878 8.0703 8.0703 10.1240 10.1240 10.6503 10.6503 10.7936 10.7936 12.8739 12.8739 12.9373 12.9373 12.9463 12.9463 13.0562 13.0562 13.0710 13.0710 k = 0.5000 0.5000 0.3788 ( 4020 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1784 -12.1784 -12.1053 -12.1053 -12.1020 -12.1020 -10.9208 -10.9208 -10.8677 -10.8677 -10.5993 -10.5993 -10.5942 -10.5942 -10.3674 -10.3674 -10.3538 -10.3538 -0.7058 -0.7058 -0.7058 -0.7058 1.4176 1.4176 1.4698 1.4698 1.4726 1.4726 3.3235 3.3235 5.2004 5.2004 7.7667 7.7667 7.7819 7.7819 8.0076 8.0076 10.1511 10.1511 10.6938 10.6938 10.8113 10.8113 12.8492 12.8492 12.9058 12.9058 12.9185 12.9185 13.0627 13.0627 13.0811 13.0811 k = 0.5000 0.5000 0.3939 ( 4020 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1808 -12.1808 -12.1056 -12.1056 -12.1031 -12.1031 -10.9234 -10.9234 -10.8692 -10.8692 -10.5974 -10.5974 -10.5936 -10.5936 -10.3628 -10.3628 -10.3524 -10.3524 -0.7061 -0.7061 -0.7061 -0.7061 1.4166 1.4166 1.4699 1.4699 1.4720 1.4720 3.3505 3.3505 5.1942 5.1942 7.7621 7.7621 7.7765 7.7765 7.9507 7.9507 10.1762 10.1762 10.7352 10.7352 10.8283 10.8283 12.8270 12.8270 12.8748 12.8748 12.8892 12.8892 13.0700 13.0700 13.0899 13.0899 k = 0.5000 0.5000 0.4091 ( 4004 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1829 -12.1829 -12.1059 -12.1059 -12.1040 -12.1040 -10.9257 -10.9257 -10.8704 -10.8704 -10.5958 -10.5958 -10.5930 -10.5930 -10.3589 -10.3589 -10.3512 -10.3512 -0.7064 -0.7064 -0.7064 -0.7064 1.4157 1.4157 1.4700 1.4700 1.4716 1.4716 3.3748 3.3748 5.1887 5.1887 7.7580 7.7580 7.7716 7.7716 7.9002 7.9002 10.1989 10.1989 10.7737 10.7737 10.8443 10.8443 12.8074 12.8074 12.8452 12.8452 12.8600 12.8600 13.0770 13.0770 13.0969 13.0969 k = 0.5000 0.5000 0.4242 ( 4000 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1847 -12.1847 -12.1062 -12.1062 -12.1049 -12.1049 -10.9276 -10.9276 -10.8715 -10.8715 -10.5944 -10.5944 -10.5925 -10.5925 -10.3555 -10.3555 -10.3501 -10.3501 -0.7067 -0.7067 -0.7067 -0.7067 1.4149 1.4149 1.4701 1.4701 1.4712 1.4712 3.3961 3.3961 5.1840 5.1840 7.7543 7.7543 7.7672 7.7672 7.8567 7.8567 10.2187 10.2187 10.8085 10.8085 10.8588 10.8588 12.7905 12.7905 12.8180 12.8180 12.8325 12.8325 13.0835 13.0835 13.1017 13.1017 k = 0.5000 0.5000 0.4394 ( 4000 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1862 -12.1862 -12.1064 -12.1064 -12.1056 -12.1056 -10.9293 -10.9293 -10.8724 -10.8724 -10.5933 -10.5933 -10.5920 -10.5920 -10.3527 -10.3527 -10.3492 -10.3492 -0.7069 -0.7069 -0.7069 -0.7069 1.4142 1.4142 1.4701 1.4701 1.4708 1.4708 3.4141 3.4141 5.1801 5.1801 7.7513 7.7513 7.7632 7.7632 7.8207 7.8207 10.2353 10.2353 10.8386 10.8386 10.8716 10.8716 12.7764 12.7764 12.7943 12.7943 12.8081 12.8081 13.0890 13.0890 13.1038 13.1038 k = 0.5000 0.5000 0.4545 ( 4008 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1873 -12.1873 -12.1066 -12.1066 -12.1061 -12.1061 -10.9305 -10.9305 -10.8731 -10.8731 -10.5924 -10.5924 -10.5917 -10.5917 -10.3505 -10.3505 -10.3485 -10.3485 -0.7071 -0.7071 -0.7071 -0.7071 1.4136 1.4136 1.4702 1.4702 1.4706 1.4706 3.4284 3.4284 5.1771 5.1771 7.7488 7.7488 7.7592 7.7592 7.7931 7.7931 10.2485 10.2485 10.8631 10.8631 10.8820 10.8820 12.7649 12.7649 12.7747 12.7747 12.7881 12.7881 13.0934 13.0934 13.1033 13.1033 k = 0.5000 0.5000 0.4697 ( 4024 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1882 -12.1882 -12.1067 -12.1067 -12.1065 -12.1065 -10.9314 -10.9314 -10.8736 -10.8736 -10.5918 -10.5918 -10.5915 -10.5915 -10.3489 -10.3489 -10.3480 -10.3480 -0.7072 -0.7072 -0.7072 -0.7072 1.4132 1.4132 1.4702 1.4702 1.4704 1.4704 3.4389 3.4389 5.1749 5.1749 7.7471 7.7471 7.7542 7.7542 7.7752 7.7752 10.2581 10.2581 10.8813 10.8813 10.8898 10.8898 12.7561 12.7561 12.7602 12.7602 12.7735 12.7735 13.0966 13.0966 13.1015 13.1015 k = 0.5000 0.5000 0.4848 ( 4032 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1887 -12.1887 -12.1068 -12.1068 -12.1067 -12.1067 -10.9320 -10.9320 -10.8739 -10.8739 -10.5914 -10.5914 -10.5913 -10.5913 -10.3480 -10.3480 -10.3477 -10.3477 -0.7073 -0.7073 -0.7073 -0.7073 1.4130 1.4130 1.4702 1.4702 1.4703 1.4703 3.4452 3.4452 5.1735 5.1735 7.7460 7.7460 7.7484 7.7484 7.7673 7.7673 10.2639 10.2639 10.8925 10.8925 10.8947 10.8947 12.7503 12.7503 12.7512 12.7512 12.7650 12.7650 13.0986 13.0986 13.0999 13.0999 k = 0.5000 0.5000 0.5000 ( 4032 PWs) bands (ev): -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -31.0174 -12.1889 -12.1889 -12.1068 -12.1068 -12.1068 -12.1068 -10.9321 -10.9321 -10.8740 -10.8740 -10.5913 -10.5913 -10.5913 -10.5913 -10.3476 -10.3476 -10.3476 -10.3476 -0.7073 -0.7073 -0.7073 -0.7073 1.4129 1.4129 1.4702 1.4702 1.4702 1.4702 3.4473 3.4473 5.1731 5.1731 7.7457 7.7457 7.7457 7.7457 7.7654 7.7654 10.2659 10.2659 10.8963 10.8963 10.8963 10.8963 12.7482 12.7482 12.7482 12.7482 12.7623 12.7623 13.0992 13.0992 13.0992 13.0992 Writing output data file Y3TlC.save init_run : 0.34s CPU 0.69s WALL ( 1 calls) electrons : 130.96s CPU 133.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 130.95s CPU 133.57s WALL ( 1 calls) v_of_rho : 0.01s 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 : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 253 calls) cegterg : 116.51s CPU 118.13s WALL ( 318 calls) Called by sum_band: Called by *egterg: h_psi : 65.17s CPU 66.36s WALL ( 5852 calls) s_psi : 4.64s CPU 4.58s WALL ( 5852 calls) g_psi : 0.17s CPU 0.17s WALL ( 5281 calls) cdiaghg : 45.56s CPU 46.17s WALL ( 5534 calls) cegterg:over : 4.95s CPU 4.93s WALL ( 5281 calls) cegterg:upda : 4.17s CPU 4.09s WALL ( 5281 calls) cegterg:last : 2.25s CPU 2.28s WALL ( 824 calls) cdiaghg:chol : 2.41s CPU 2.59s WALL ( 5534 calls) cdiaghg:inve : 2.00s CPU 1.76s WALL ( 5534 calls) cdiaghg:para : 3.14s CPU 2.84s WALL ( 11068 calls) Called by h_psi: h_psi:vloc : 55.15s CPU 56.32s WALL ( 5852 calls) h_psi:vnl : 9.90s CPU 9.90s WALL ( 5852 calls) add_vuspsi : 5.38s CPU 5.33s WALL ( 5852 calls) General routines calbec : 4.50s CPU 4.56s WALL ( 5852 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.62s CPU 52.58s WALL ( 668564 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.17s WALL ( 506 calls) Parallel routines fft_scatter : 19.23s CPU 19.61s WALL ( 668587 calls) PWSCF : 2m25.56s CPU 2m41.66s WALL This run was terminated on: 17:31:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=