Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:32:48 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: ./Sc3TlC.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 32 9 2344 841 135 Max 65 33 10 2349 857 140 Sum 2337 1185 349 84439 30551 4945 bravais-lattice index = 14 lattice parameter (alat) = 8.5264 a.u. unit-cell volume = 619.8745 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.526444 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Sc 11.00 44.95590 Sc( 1.00) C 4.00 12.01070 C( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0036765 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0036765 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0036765 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0036765 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0036765 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0036765 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0036765 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0036765 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0036765 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0036765 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0036765 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0036765 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0036765 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0036765 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0036765 k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0036765 k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0036765 k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0036765 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0036765 k( 79) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0036765 k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0036765 k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0036765 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0036765 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0036765 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0036765 k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0036765 k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0036765 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0036765 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0036765 k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0036765 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0036765 k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036765 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0036765 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036765 k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0036765 k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036765 k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0036765 k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036765 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036765 k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036765 k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0036765 k( 101) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036765 k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0036765 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036765 k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0036765 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036765 k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0036765 k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036765 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036765 k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036765 k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0036765 k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036765 k( 112) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0036765 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036765 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0036765 k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036765 k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0036765 k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036765 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036765 k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036765 k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0036765 k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036765 k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 125) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036765 k( 126) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036765 k( 127) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036765 k( 128) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036765 k( 129) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036765 k( 130) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036765 k( 131) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036765 k( 132) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036765 k( 133) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036765 k( 134) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036765 k( 135) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036765 k( 136) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036765 k( 137) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036765 k( 138) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036765 k( 139) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036765 k( 140) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036765 k( 141) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036765 k( 142) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036765 k( 143) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036765 k( 144) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036765 k( 145) = ( 0.1721312 0.1721311 0.1721311), wk = 0.0036765 k( 146) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036765 k( 147) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036765 k( 148) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036765 k( 149) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036765 k( 150) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036765 k( 151) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036765 k( 152) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036765 k( 153) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036765 k( 154) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036765 k( 155) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036765 k( 156) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036765 k( 157) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036765 k( 158) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036765 k( 159) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036765 k( 160) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036765 k( 161) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036765 k( 162) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036765 k( 163) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036765 k( 164) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036765 k( 165) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036765 k( 166) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036765 k( 167) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036765 k( 168) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036765 k( 169) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036765 k( 170) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036765 k( 171) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036765 k( 172) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036765 k( 173) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036765 k( 174) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036765 k( 175) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036765 k( 176) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036765 k( 177) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036765 k( 178) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0036765 k( 179) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036765 k( 180) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036765 k( 181) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036765 k( 182) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036765 k( 183) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036765 k( 184) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036765 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 187) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036765 k( 188) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036765 k( 189) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036765 k( 190) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036765 k( 191) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036765 k( 192) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036765 k( 193) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036765 k( 194) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036765 k( 195) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036765 k( 196) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036765 k( 197) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036765 k( 198) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036765 k( 199) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036765 k( 200) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036765 k( 201) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036765 k( 202) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036765 k( 203) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036765 k( 204) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036765 k( 205) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036765 k( 206) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036765 k( 207) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036765 k( 208) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036765 k( 209) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036765 k( 210) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036765 k( 211) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036765 k( 212) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036765 k( 213) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036765 k( 214) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036765 k( 215) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036765 k( 216) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036765 k( 217) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036765 k( 218) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036765 k( 219) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036765 k( 220) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036765 k( 221) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036765 k( 222) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036765 k( 223) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036765 k( 224) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036765 k( 225) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036765 k( 226) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036765 k( 227) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036765 k( 228) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036765 k( 229) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036765 k( 230) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036765 k( 231) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036765 k( 232) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036765 k( 233) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036765 k( 234) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036765 k( 235) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0285714 0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0571429 0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.1857143 0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3142857 0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0036765 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.4714286 0.0000000), wk = 0.0036765 k( 35) = ( 0.0000000 0.4857143 0.0000000), wk = 0.0036765 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0036765 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0036765 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0036765 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0036765 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0036765 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0036765 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0036765 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0036765 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0036765 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0036765 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0036765 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0036765 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0036765 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0036765 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0036765 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0036765 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0036765 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0036765 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0036765 k( 57) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0036765 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0036765 k( 61) = ( 0.3428571 0.5000000 0.0000000), wk = 0.0036765 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0036765 k( 63) = ( 0.3714286 0.5000000 0.0000000), wk = 0.0036765 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0036765 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0036765 k( 66) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0036765 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0036765 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0036765 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0036765 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0036765 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0036765 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 74) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0036765 k( 75) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0036765 k( 76) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0036765 k( 77) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0036765 k( 78) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036765 k( 79) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0036765 k( 80) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0036765 k( 81) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0036765 k( 82) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0036765 k( 83) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036765 k( 84) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0036765 k( 85) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0036765 k( 86) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0036765 k( 87) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0036765 k( 88) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036765 k( 89) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0036765 k( 90) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0036765 k( 91) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0036765 k( 92) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0036765 k( 93) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036765 k( 94) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0036765 k( 95) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0036765 k( 96) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0036765 k( 97) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0036765 k( 98) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036765 k( 99) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0036765 k( 100) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0036765 k( 101) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0036765 k( 102) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0036765 k( 103) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036765 k( 104) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0036765 k( 105) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0036765 k( 106) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0036765 k( 107) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0036765 k( 108) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036765 k( 109) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0036765 k( 110) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0036765 k( 111) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0036765 k( 112) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0036765 k( 113) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036765 k( 114) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0036765 k( 115) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0036765 k( 116) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0036765 k( 117) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0036765 k( 118) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036765 k( 119) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0036765 k( 120) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0036765 k( 121) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0036765 k( 122) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 125) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0036765 k( 126) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0036765 k( 127) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0036765 k( 128) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0036765 k( 129) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0036765 k( 130) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0036765 k( 131) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0036765 k( 132) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0036765 k( 133) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0036765 k( 134) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0036765 k( 135) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0036765 k( 136) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0036765 k( 137) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0036765 k( 138) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0036765 k( 139) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0036765 k( 140) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0036765 k( 141) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0036765 k( 142) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0036765 k( 143) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0036765 k( 144) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0036765 k( 145) = ( 0.1721312 0.1721312 0.1721312), wk = 0.0036765 k( 146) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0036765 k( 147) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0036765 k( 148) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0036765 k( 149) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0036765 k( 150) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0036765 k( 151) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0036765 k( 152) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0036765 k( 153) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0036765 k( 154) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0036765 k( 155) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0036765 k( 156) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0036765 k( 157) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0036765 k( 158) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0036765 k( 159) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0036765 k( 160) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0036765 k( 161) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0036765 k( 162) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0036765 k( 163) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0036765 k( 164) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0036765 k( 165) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0036765 k( 166) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0036765 k( 167) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0036765 k( 168) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0036765 k( 169) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0036765 k( 170) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0036765 k( 171) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0036765 k( 172) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0036765 k( 173) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0036765 k( 174) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0036765 k( 175) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0036765 k( 176) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0036765 k( 177) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0036765 k( 178) = ( 0.4426230 0.4426230 0.4426230), wk = 0.0036765 k( 179) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0036765 k( 180) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0036765 k( 181) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0036765 k( 182) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0036765 k( 183) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0036765 k( 184) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0036765 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 187) = ( 0.4900000 0.5000000 0.4900000), wk = 0.0036765 k( 188) = ( 0.4800000 0.5000000 0.4800000), wk = 0.0036765 k( 189) = ( 0.4700000 0.5000000 0.4700000), wk = 0.0036765 k( 190) = ( 0.4600000 0.5000000 0.4600000), wk = 0.0036765 k( 191) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0036765 k( 192) = ( 0.4400000 0.5000000 0.4400000), wk = 0.0036765 k( 193) = ( 0.4300000 0.5000000 0.4300000), wk = 0.0036765 k( 194) = ( 0.4200000 0.5000000 0.4200000), wk = 0.0036765 k( 195) = ( 0.4100000 0.5000000 0.4100000), wk = 0.0036765 k( 196) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0036765 k( 197) = ( 0.3900000 0.5000000 0.3900000), wk = 0.0036765 k( 198) = ( 0.3800000 0.5000000 0.3800000), wk = 0.0036765 k( 199) = ( 0.3700000 0.5000000 0.3700000), wk = 0.0036765 k( 200) = ( 0.3600000 0.5000000 0.3600000), wk = 0.0036765 k( 201) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0036765 k( 202) = ( 0.3400000 0.5000000 0.3400000), wk = 0.0036765 k( 203) = ( 0.3300000 0.5000000 0.3300000), wk = 0.0036765 k( 204) = ( 0.3200000 0.5000000 0.3200000), wk = 0.0036765 k( 205) = ( 0.3100000 0.5000000 0.3100000), wk = 0.0036765 k( 206) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0036765 k( 207) = ( 0.2900000 0.5000000 0.2900000), wk = 0.0036765 k( 208) = ( 0.2800000 0.5000000 0.2800000), wk = 0.0036765 k( 209) = ( 0.2700000 0.5000000 0.2700000), wk = 0.0036765 k( 210) = ( 0.2600000 0.5000000 0.2600000), wk = 0.0036765 k( 211) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0036765 k( 212) = ( 0.2400000 0.5000000 0.2400000), wk = 0.0036765 k( 213) = ( 0.2300000 0.5000000 0.2300000), wk = 0.0036765 k( 214) = ( 0.2200000 0.5000000 0.2200000), wk = 0.0036765 k( 215) = ( 0.2100000 0.5000000 0.2100000), wk = 0.0036765 k( 216) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0036765 k( 217) = ( 0.1900000 0.5000000 0.1900000), wk = 0.0036765 k( 218) = ( 0.1800000 0.5000000 0.1800000), wk = 0.0036765 k( 219) = ( 0.1700000 0.5000000 0.1700000), wk = 0.0036765 k( 220) = ( 0.1600000 0.5000000 0.1600000), wk = 0.0036765 k( 221) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0036765 k( 222) = ( 0.1400000 0.5000000 0.1400000), wk = 0.0036765 k( 223) = ( 0.1300000 0.5000000 0.1300000), wk = 0.0036765 k( 224) = ( 0.1200000 0.5000000 0.1200000), wk = 0.0036765 k( 225) = ( 0.1100000 0.5000000 0.1100000), wk = 0.0036765 k( 226) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0036765 k( 227) = ( 0.0900000 0.5000000 0.0900000), wk = 0.0036765 k( 228) = ( 0.0800000 0.5000000 0.0800000), wk = 0.0036765 k( 229) = ( 0.0700000 0.5000000 0.0700000), wk = 0.0036765 k( 230) = ( 0.0600000 0.5000000 0.0600000), wk = 0.0036765 k( 231) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0036765 k( 232) = ( 0.0400000 0.5000000 0.0400000), wk = 0.0036765 k( 233) = ( 0.0300000 0.5000000 0.0300000), wk = 0.0036765 k( 234) = ( 0.0200000 0.5000000 0.0200000), wk = 0.0036765 k( 235) = ( 0.0100000 0.5000000 0.0100000), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 Dense grid: 84439 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30551 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 214, 60) NL pseudopotentials 0.24 Mb ( 107, 150) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2347) G-vector shells 0.00 Mb ( 500) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 214, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 150, 2, 60) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./Sc3TlC.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.2 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 7.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 9.1 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 11.7 secs Computing kpt #: 6 total cpu time spent up to now is 12.7 secs Computing kpt #: 7 total cpu time spent up to now is 13.7 secs Computing kpt #: 8 total cpu time spent up to now is 14.7 secs Computing kpt #: 9 total cpu time spent up to now is 15.6 secs Computing kpt #: 10 total cpu time spent up to now is 16.5 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.4 secs Computing kpt #: 13 total cpu time spent up to now is 19.4 secs Computing kpt #: 14 total cpu time spent up to now is 20.3 secs Computing kpt #: 15 total cpu time spent up to now is 21.3 secs Computing kpt #: 16 total cpu time spent up to now is 22.2 secs Computing kpt #: 17 total cpu time spent up to now is 23.2 secs Computing kpt #: 18 total cpu time spent up to now is 24.2 secs Computing kpt #: 19 total cpu time spent up to now is 25.4 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.2 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.8 secs Computing kpt #: 23 total cpu time spent up to now is 31.8 secs Computing kpt #: 24 total cpu time spent up to now is 32.9 secs Computing kpt #: 25 total cpu time spent up to now is 33.9 secs Computing kpt #: 26 total cpu time spent up to now is 35.0 secs Computing kpt #: 27 total cpu time spent up to now is 36.5 secs Computing kpt #: 28 total cpu time spent up to now is 38.0 secs Computing kpt #: 29 total cpu time spent up to now is 39.5 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.2 secs Computing kpt #: 31 total cpu time spent up to now is 42.8 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.5 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.2 secs Computing kpt #: 34 total cpu time spent up to now is 47.7 secs Computing kpt #: 35 total cpu time spent up to now is 49.2 secs Computing kpt #: 36 total cpu time spent up to now is 50.7 secs Computing kpt #: 37 total cpu time spent up to now is 52.2 secs Computing kpt #: 38 total cpu time spent up to now is 53.8 secs Computing kpt #: 39 total cpu time spent up to now is 55.0 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.8 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.5 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.3 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.1 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.9 secs Computing kpt #: 45 total cpu time spent up to now is 65.5 secs Computing kpt #: 46 total cpu time spent up to now is 66.5 secs Computing kpt #: 47 total cpu time spent up to now is 67.5 secs Computing kpt #: 48 total cpu time spent up to now is 68.4 secs Computing kpt #: 49 total cpu time spent up to now is 69.3 secs Computing kpt #: 50 total cpu time spent up to now is 70.1 secs Computing kpt #: 51 total cpu time spent up to now is 70.9 secs Computing kpt #: 52 total cpu time spent up to now is 71.6 secs Computing kpt #: 53 total cpu time spent up to now is 72.5 secs Computing kpt #: 54 total cpu time spent up to now is 73.3 secs Computing kpt #: 55 total cpu time spent up to now is 74.1 secs Computing kpt #: 56 total cpu time spent up to now is 74.9 secs Computing kpt #: 57 total cpu time spent up to now is 75.8 secs Computing kpt #: 58 total cpu time spent up to now is 76.7 secs Computing kpt #: 59 total cpu time spent up to now is 77.6 secs Computing kpt #: 60 total cpu time spent up to now is 78.6 secs Computing kpt #: 61 total cpu time spent up to now is 79.6 secs Computing kpt #: 62 total cpu time spent up to now is 80.6 secs Computing kpt #: 63 total cpu time spent up to now is 81.7 secs Computing kpt #: 64 total cpu time spent up to now is 83.0 secs Computing kpt #: 65 total cpu time spent up to now is 84.5 secs Computing kpt #: 66 total cpu time spent up to now is 86.2 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.0 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.5 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.3 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.0 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.5 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.8 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.3 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.0 secs Computing kpt #: 80 total cpu time spent up to now is 110.3 secs Computing kpt #: 81 total cpu time spent up to now is 111.1 secs Computing kpt #: 82 total cpu time spent up to now is 112.0 secs Computing kpt #: 83 total cpu time spent up to now is 112.9 secs Computing kpt #: 84 total cpu time spent up to now is 113.8 secs Computing kpt #: 85 total cpu time spent up to now is 114.8 secs Computing kpt #: 86 total cpu time spent up to now is 116.5 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.2 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.0 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.8 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.5 secs Computing kpt #: 91 total cpu time spent up to now is 125.0 secs Computing kpt #: 92 total cpu time spent up to now is 126.0 secs Computing kpt #: 93 total cpu time spent up to now is 126.9 secs Computing kpt #: 94 total cpu time spent up to now is 127.8 secs Computing kpt #: 95 total cpu time spent up to now is 128.7 secs Computing kpt #: 96 total cpu time spent up to now is 129.4 secs Computing kpt #: 97 total cpu time spent up to now is 130.2 secs Computing kpt #: 98 total cpu time spent up to now is 130.9 secs Computing kpt #: 99 total cpu time spent up to now is 131.5 secs Computing kpt #: 100 total cpu time spent up to now is 132.2 secs Computing kpt #: 101 total cpu time spent up to now is 132.9 secs Computing kpt #: 102 total cpu time spent up to now is 133.6 secs Computing kpt #: 103 total cpu time spent up to now is 134.2 secs Computing kpt #: 104 total cpu time spent up to now is 135.0 secs Computing kpt #: 105 total cpu time spent up to now is 135.7 secs Computing kpt #: 106 total cpu time spent up to now is 136.4 secs Computing kpt #: 107 total cpu time spent up to now is 137.2 secs Computing kpt #: 108 total cpu time spent up to now is 137.9 secs Computing kpt #: 109 total cpu time spent up to now is 138.7 secs Computing kpt #: 110 total cpu time spent up to now is 139.5 secs Computing kpt #: 111 total cpu time spent up to now is 140.4 secs Computing kpt #: 112 total cpu time spent up to now is 141.3 secs Computing kpt #: 113 total cpu time spent up to now is 142.2 secs Computing kpt #: 114 total cpu time spent up to now is 143.2 secs Computing kpt #: 115 total cpu time spent up to now is 144.2 secs Computing kpt #: 116 total cpu time spent up to now is 145.2 secs Computing kpt #: 117 total cpu time spent up to now is 146.2 secs Computing kpt #: 118 total cpu time spent up to now is 147.4 secs Computing kpt #: 119 total cpu time spent up to now is 148.8 secs Computing kpt #: 120 total cpu time spent up to now is 150.4 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.3 secs Computing kpt #: 122 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 154.2 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.9 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 126 total cpu time spent up to now is 160.7 secs Computing kpt #: 127 total cpu time spent up to now is 161.8 secs Computing kpt #: 128 total cpu time spent up to now is 162.8 secs Computing kpt #: 129 total cpu time spent up to now is 163.8 secs Computing kpt #: 130 total cpu time spent up to now is 164.8 secs Computing kpt #: 131 total cpu time spent up to now is 165.8 secs Computing kpt #: 132 total cpu time spent up to now is 166.8 secs Computing kpt #: 133 total cpu time spent up to now is 167.8 secs Computing kpt #: 134 total cpu time spent up to now is 168.8 secs Computing kpt #: 135 total cpu time spent up to now is 169.7 secs Computing kpt #: 136 total cpu time spent up to now is 170.7 secs Computing kpt #: 137 total cpu time spent up to now is 171.7 secs Computing kpt #: 138 total cpu time spent up to now is 172.6 secs Computing kpt #: 139 total cpu time spent up to now is 173.6 secs Computing kpt #: 140 total cpu time spent up to now is 174.7 secs Computing kpt #: 141 total cpu time spent up to now is 175.6 secs Computing kpt #: 142 total cpu time spent up to now is 176.5 secs Computing kpt #: 143 total cpu time spent up to now is 177.5 secs Computing kpt #: 144 total cpu time spent up to now is 178.4 secs Computing kpt #: 145 total cpu time spent up to now is 179.3 secs Computing kpt #: 146 total cpu time spent up to now is 180.3 secs Computing kpt #: 147 total cpu time spent up to now is 181.2 secs Computing kpt #: 148 total cpu time spent up to now is 182.1 secs Computing kpt #: 149 total cpu time spent up to now is 183.0 secs Computing kpt #: 150 total cpu time spent up to now is 183.9 secs Computing kpt #: 151 total cpu time spent up to now is 184.7 secs Computing kpt #: 152 total cpu time spent up to now is 185.5 secs Computing kpt #: 153 total cpu time spent up to now is 186.4 secs Computing kpt #: 154 total cpu time spent up to now is 187.2 secs Computing kpt #: 155 total cpu time spent up to now is 188.0 secs Computing kpt #: 156 total cpu time spent up to now is 188.9 secs Computing kpt #: 157 total cpu time spent up to now is 190.1 secs Computing kpt #: 158 total cpu time spent up to now is 191.2 secs Computing kpt #: 159 total cpu time spent up to now is 192.5 secs Computing kpt #: 160 total cpu time spent up to now is 193.7 secs Computing kpt #: 161 total cpu time spent up to now is 194.9 secs Computing kpt #: 162 total cpu time spent up to now is 196.4 secs Computing kpt #: 163 total cpu time spent up to now is 197.9 secs Computing kpt #: 164 total cpu time spent up to now is 199.5 secs Computing kpt #: 165 total cpu time spent up to now is 200.8 secs Computing kpt #: 166 total cpu time spent up to now is 202.1 secs Computing kpt #: 167 total cpu time spent up to now is 203.5 secs Computing kpt #: 168 total cpu time spent up to now is 205.2 secs Computing kpt #: 169 total cpu time spent up to now is 206.5 secs Computing kpt #: 170 total cpu time spent up to now is 207.9 secs Computing kpt #: 171 total cpu time spent up to now is 209.6 secs Computing kpt #: 172 total cpu time spent up to now is 211.3 secs Computing kpt #: 173 total cpu time spent up to now is 212.6 secs Computing kpt #: 174 total cpu time spent up to now is 214.2 secs Computing kpt #: 175 total cpu time spent up to now is 215.5 secs Computing kpt #: 176 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 217.6 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.5 secs Computing kpt #: 178 total cpu time spent up to now is 220.9 secs Computing kpt #: 179 total cpu time spent up to now is 222.1 secs Computing kpt #: 180 total cpu time spent up to now is 223.3 secs Computing kpt #: 181 total cpu time spent up to now is 224.4 secs Computing kpt #: 182 total cpu time spent up to now is 226.0 secs Computing kpt #: 183 total cpu time spent up to now is 227.1 secs Computing kpt #: 184 total cpu time spent up to now is 228.2 secs Computing kpt #: 185 total cpu time spent up to now is 229.2 secs Computing kpt #: 186 total cpu time spent up to now is 230.3 secs Computing kpt #: 187 total cpu time spent up to now is 231.4 secs Computing kpt #: 188 total cpu time spent up to now is 232.5 secs Computing kpt #: 189 total cpu time spent up to now is 233.7 secs Computing kpt #: 190 total cpu time spent up to now is 234.9 secs Computing kpt #: 191 total cpu time spent up to now is 236.2 secs Computing kpt #: 192 total cpu time spent up to now is 237.6 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.5 secs Computing kpt #: 194 total cpu time spent up to now is 241.0 secs Computing kpt #: 195 total cpu time spent up to now is 242.4 secs Computing kpt #: 196 total cpu time spent up to now is 243.9 secs Computing kpt #: 197 total cpu time spent up to now is 245.5 secs Computing kpt #: 198 total cpu time spent up to now is 246.9 secs Computing kpt #: 199 total cpu time spent up to now is 248.3 secs Computing kpt #: 200 total cpu time spent up to now is 250.2 secs Computing kpt #: 201 total cpu time spent up to now is 251.6 secs Computing kpt #: 202 total cpu time spent up to now is 253.1 secs Computing kpt #: 203 total cpu time spent up to now is 254.5 secs Computing kpt #: 204 total cpu time spent up to now is 255.5 secs Computing kpt #: 205 total cpu time spent up to now is 256.5 secs Computing kpt #: 206 total cpu time spent up to now is 257.4 secs Computing kpt #: 207 total cpu time spent up to now is 258.3 secs Computing kpt #: 208 total cpu time spent up to now is 259.2 secs Computing kpt #: 209 total cpu time spent up to now is 260.0 secs Computing kpt #: 210 total cpu time spent up to now is 260.8 secs Computing kpt #: 211 total cpu time spent up to now is 261.6 secs Computing kpt #: 212 total cpu time spent up to now is 262.4 secs Computing kpt #: 213 total cpu time spent up to now is 263.2 secs Computing kpt #: 214 total cpu time spent up to now is 264.0 secs Computing kpt #: 215 total cpu time spent up to now is 264.8 secs Computing kpt #: 216 total cpu time spent up to now is 265.6 secs Computing kpt #: 217 total cpu time spent up to now is 266.4 secs Computing kpt #: 218 total cpu time spent up to now is 267.2 secs Computing kpt #: 219 total cpu time spent up to now is 268.0 secs Computing kpt #: 220 total cpu time spent up to now is 268.8 secs Computing kpt #: 221 total cpu time spent up to now is 269.6 secs Computing kpt #: 222 total cpu time spent up to now is 270.4 secs Computing kpt #: 223 total cpu time spent up to now is 271.2 secs Computing kpt #: 224 total cpu time spent up to now is 272.2 secs Computing kpt #: 225 total cpu time spent up to now is 273.1 secs Computing kpt #: 226 total cpu time spent up to now is 274.0 secs Computing kpt #: 227 total cpu time spent up to now is 275.1 secs Computing kpt #: 228 total cpu time spent up to now is 276.1 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.9 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.7 secs Computing kpt #: 231 total cpu time spent up to now is 281.1 secs Computing kpt #: 232 total cpu time spent up to now is 282.3 secs Computing kpt #: 233 total cpu time spent up to now is 283.3 secs Computing kpt #: 234 total cpu time spent up to now is 284.4 secs Computing kpt #: 235 total cpu time spent up to now is 285.4 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.1 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.6 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.3 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.0 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.8 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.6 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.2 secs Computing kpt #: 244 total cpu time spent up to now is 299.9 secs Computing kpt #: 245 total cpu time spent up to now is 300.6 secs Computing kpt #: 246 total cpu time spent up to now is 301.3 secs Computing kpt #: 247 total cpu time spent up to now is 302.1 secs Computing kpt #: 248 total cpu time spent up to now is 303.0 secs Computing kpt #: 249 total cpu time spent up to now is 304.1 secs Computing kpt #: 250 total cpu time spent up to now is 305.1 secs Computing kpt #: 251 total cpu time spent up to now is 306.1 secs Computing kpt #: 252 total cpu time spent up to now is 307.2 secs Computing kpt #: 253 total cpu time spent up to now is 308.7 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.6 secs Computing kpt #: 255 total cpu time spent up to now is 312.1 secs Computing kpt #: 256 total cpu time spent up to now is 313.6 secs Computing kpt #: 257 total cpu time spent up to now is 314.7 secs Computing kpt #: 258 total cpu time spent up to now is 316.3 secs Computing kpt #: 259 total cpu time spent up to now is 317.5 secs Computing kpt #: 260 total cpu time spent up to now is 318.6 secs Computing kpt #: 261 total cpu time spent up to now is 319.9 secs Computing kpt #: 262 total cpu time spent up to now is 321.1 secs Computing kpt #: 263 total cpu time spent up to now is 322.2 secs Computing kpt #: 264 total cpu time spent up to now is 323.3 secs Computing kpt #: 265 total cpu time spent up to now is 324.5 secs Computing kpt #: 266 total cpu time spent up to now is 325.7 secs Computing kpt #: 267 total cpu time spent up to now is 326.9 secs Computing kpt #: 268 total cpu time spent up to now is 328.0 secs Computing kpt #: 269 total cpu time spent up to now is 329.8 secs Computing kpt #: 270 total cpu time spent up to now is 330.9 secs Computing kpt #: 271 total cpu time spent up to now is 331.9 secs Computing kpt #: 272 total cpu time spent up to now is 332.7 secs ethr = 2.00E-08, avg # of iterations = 66.3 total cpu time spent up to now is 332.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -37.5495 -37.5495 -37.4659 -37.4659 -37.4659 -37.4659 -16.5817 -16.5817 -16.5817 -16.5817 -16.4169 -16.4169 -16.0841 -16.0841 -16.0841 -16.0841 -16.0487 -16.0487 -16.0036 -16.0036 -15.7912 -15.7912 -15.7912 -15.7912 -0.4274 -0.4274 -0.4274 -0.4274 1.3171 1.3171 1.6940 1.6940 1.6940 1.6940 1.7262 1.7262 4.4241 4.4241 10.3742 10.3742 10.5467 10.5467 10.5467 10.5467 11.5166 11.5166 11.5166 11.5166 11.7240 11.7240 11.7240 11.7240 11.7454 11.7454 13.4078 13.4078 14.3709 14.3709 14.3709 14.3711 k = 0.0000 0.0143-0.0000 ( 3831 PWs) bands (ev): -37.5495 -37.5495 -37.4659 -37.4659 -37.4659 -37.4659 -16.5818 -16.5818 -16.5817 -16.5817 -16.4170 -16.4170 -16.0842 -16.0842 -16.0841 -16.0841 -16.0487 -16.0487 -16.0037 -16.0037 -15.7914 -15.7914 -15.7913 -15.7913 -0.4275 -0.4275 -0.4274 -0.4274 1.3182 1.3182 1.6940 1.6940 1.6941 1.6941 1.7261 1.7261 4.4249 4.4249 10.3713 10.3713 10.5417 10.5417 10.5458 10.5458 11.5170 11.5170 11.5179 11.5179 11.7217 11.7217 11.7239 11.7239 11.7449 11.7449 13.4055 13.4055 14.3613 14.3614 14.3663 14.3663 k = 0.0000 0.0286-0.0000 ( 3839 PWs) bands (ev): -37.5494 -37.5494 -37.4660 -37.4660 -37.4659 -37.4659 -16.5818 -16.5818 -16.5814 -16.5814 -16.4171 -16.4171 -16.0842 -16.0842 -16.0840 -16.0840 -16.0486 -16.0486 -16.0038 -16.0038 -15.7919 -15.7919 -15.7915 -15.7915 -0.4274 -0.4274 -0.4272 -0.4272 1.3217 1.3217 1.6941 1.6941 1.6945 1.6945 1.7262 1.7262 4.4276 4.4276 10.3622 10.3622 10.5278 10.5278 10.5432 10.5432 11.5182 11.5182 11.5220 11.5220 11.7158 11.7158 11.7238 11.7238 11.7438 11.7438 13.3985 13.3985 14.3273 14.3273 14.3422 14.3422 k = 0.0000 0.0429-0.0000 ( 3839 PWs) bands (ev): -37.5492 -37.5492 -37.4662 -37.4662 -37.4659 -37.4659 -16.5817 -16.5817 -16.5809 -16.5809 -16.4172 -16.4172 -16.0842 -16.0842 -16.0838 -16.0838 -16.0485 -16.0485 -16.0040 -16.0040 -15.7928 -15.7928 -15.7918 -15.7918 -0.4273 -0.4273 -0.4269 -0.4269 1.3275 1.3275 1.6944 1.6944 1.6953 1.6953 1.7264 1.7264 4.4322 4.4322 10.3452 10.3452 10.5078 10.5078 10.5391 10.5391 11.5188 11.5188 11.5289 11.5289 11.7060 11.7060 11.7231 11.7231 11.7427 11.7427 13.3867 13.3867 14.2834 14.2834 14.2849 14.2850 k = 0.0000 0.0571-0.0000 ( 3831 PWs) bands (ev): -37.5489 -37.5489 -37.4665 -37.4665 -37.4659 -37.4659 -16.5815 -16.5815 -16.5802 -16.5802 -16.4174 -16.4174 -16.0842 -16.0842 -16.0834 -16.0834 -16.0482 -16.0482 -16.0041 -16.0041 -15.7940 -15.7940 -15.7922 -15.7922 -0.4271 -0.4271 -0.4263 -0.4263 1.3356 1.3356 1.6948 1.6948 1.6964 1.6964 1.7267 1.7267 4.4385 4.4385 10.3176 10.3176 10.4856 10.4856 10.5333 10.5333 11.5172 11.5172 11.5385 11.5385 11.6931 11.6931 11.7208 11.7208 11.7425 11.7425 13.3700 13.3700 14.2074 14.2074 14.2399 14.2399 k = 0.0000 0.0714-0.0000 ( 3831 PWs) bands (ev): -37.5486 -37.5486 -37.4668 -37.4668 -37.4659 -37.4659 -16.5813 -16.5813 -16.5792 -16.5792 -16.4176 -16.4176 -16.0843 -16.0843 -16.0830 -16.0830 -16.0478 -16.0478 -16.0044 -16.0044 -15.7955 -15.7955 -15.7928 -15.7928 -0.4268 -0.4268 -0.4257 -0.4257 1.3459 1.3459 1.6953 1.6953 1.6977 1.6977 1.7270 1.7270 4.4466 4.4466 10.2773 10.2773 10.4650 10.4650 10.5261 10.5261 11.5110 11.5110 11.5508 11.5508 11.6773 11.6773 11.7162 11.7162 11.7439 11.7439 13.3481 13.3481 14.1263 14.1263 14.1996 14.1996 k = 0.0000 0.0857-0.0000 ( 3831 PWs) bands (ev): -37.5482 -37.5482 -37.4672 -37.4672 -37.4658 -37.4658 -16.5810 -16.5810 -16.5781 -16.5781 -16.4179 -16.4179 -16.0843 -16.0843 -16.0825 -16.0825 -16.0474 -16.0474 -16.0047 -16.0047 -15.7974 -15.7974 -15.7934 -15.7934 -0.4265 -0.4265 -0.4249 -0.4249 1.3584 1.3584 1.6959 1.6959 1.6993 1.6993 1.7274 1.7274 4.4564 4.4564 10.2244 10.2244 10.4474 10.4474 10.5175 10.5175 11.4981 11.4981 11.5657 11.5657 11.6593 11.6593 11.7094 11.7094 11.7469 11.7469 13.3209 13.3209 14.0508 14.0508 14.1633 14.1633 k = 0.0000 0.1000-0.0000 ( 3823 PWs) bands (ev): -37.5477 -37.5477 -37.4677 -37.4677 -37.4658 -37.4658 -16.5807 -16.5807 -16.5767 -16.5767 -16.4183 -16.4183 -16.0845 -16.0845 -16.0819 -16.0819 -16.0468 -16.0468 -16.0050 -16.0050 -15.7995 -15.7995 -15.7941 -15.7941 -0.4262 -0.4262 -0.4239 -0.4239 1.3731 1.3731 1.6966 1.6966 1.7012 1.7012 1.7279 1.7279 4.4678 4.4678 10.1611 10.1611 10.4326 10.4326 10.5076 10.5076 11.4768 11.4768 11.5828 11.5828 11.6395 11.6395 11.7008 11.7008 11.7511 11.7511 13.2887 13.2887 13.9858 13.9858 14.1313 14.1313 k = 0.0000 0.1143-0.0000 ( 3823 PWs) bands (ev): -37.5472 -37.5472 -37.4682 -37.4682 -37.4658 -37.4658 -16.5804 -16.5804 -16.5752 -16.5752 -16.4187 -16.4187 -16.0847 -16.0847 -16.0813 -16.0813 -16.0460 -16.0460 -16.0054 -16.0054 -15.8020 -15.8020 -15.7950 -15.7950 -0.4258 -0.4258 -0.4229 -0.4229 1.3898 1.3898 1.6973 1.6973 1.7033 1.7033 1.7284 1.7284 4.4808 4.4808 10.0896 10.0896 10.4195 10.4195 10.4966 10.4966 11.4459 11.4459 11.6018 11.6018 11.6176 11.6176 11.6911 11.6911 11.7565 11.7565 13.2527 13.2527 13.9335 13.9335 14.1039 14.1039 k = 0.0000 0.1286-0.0000 ( 3823 PWs) bands (ev): -37.5466 -37.5466 -37.4688 -37.4688 -37.4658 -37.4658 -16.5801 -16.5801 -16.5735 -16.5735 -16.4192 -16.4192 -16.0850 -16.0850 -16.0805 -16.0805 -16.0451 -16.0451 -16.0059 -16.0059 -15.8049 -15.8049 -15.7959 -15.7959 -0.4253 -0.4253 -0.4217 -0.4217 1.4085 1.4085 1.6982 1.6982 1.7056 1.7056 1.7290 1.7290 4.4953 4.4953 10.0122 10.0122 10.4074 10.4074 10.4845 10.4845 11.4051 11.4051 11.5932 11.5932 11.6212 11.6212 11.6818 11.6818 11.7628 11.7628 13.2149 13.2149 13.8943 13.8943 14.0809 14.0809 k = 0.0000 0.1429-0.0000 ( 3827 PWs) bands (ev): -37.5459 -37.5459 -37.4695 -37.4695 -37.4658 -37.4658 -16.5797 -16.5797 -16.5716 -16.5716 -16.4198 -16.4198 -16.0854 -16.0854 -16.0797 -16.0797 -16.0439 -16.0439 -16.0064 -16.0064 -15.8080 -15.8080 -15.7970 -15.7970 -0.4249 -0.4249 -0.4205 -0.4205 1.4290 1.4290 1.6991 1.6991 1.7082 1.7082 1.7296 1.7296 4.5111 4.5111 9.9305 9.9305 10.3957 10.3957 10.4716 10.4716 11.3542 11.3542 11.5658 11.5658 11.6348 11.6348 11.6790 11.6790 11.7700 11.7700 13.1776 13.1776 13.8674 13.8674 14.0625 14.0625 k = 0.0000 0.1571-0.0000 ( 3827 PWs) bands (ev): -37.5451 -37.5451 -37.4703 -37.4703 -37.4658 -37.4658 -16.5793 -16.5793 -16.5695 -16.5695 -16.4205 -16.4205 -16.0858 -16.0858 -16.0787 -16.0787 -16.0426 -16.0426 -16.0069 -16.0069 -15.8114 -15.8114 -15.7981 -15.7981 -0.4243 -0.4243 -0.4191 -0.4191 1.4513 1.4513 1.7001 1.7001 1.7109 1.7109 1.7302 1.7302 4.5282 4.5282 9.8460 9.8460 10.3842 10.3842 10.4580 10.4580 11.2934 11.2934 11.5354 11.5354 11.6321 11.6321 11.6929 11.6929 11.7785 11.7785 13.1435 13.1435 13.8511 13.8511 14.0483 14.0483 k = 0.0000 0.1714-0.0000 ( 3819 PWs) bands (ev): -37.5443 -37.5443 -37.4711 -37.4711 -37.4658 -37.4658 -16.5788 -16.5788 -16.5672 -16.5672 -16.4212 -16.4212 -16.0864 -16.0864 -16.0777 -16.0777 -16.0410 -16.0410 -16.0076 -16.0076 -15.8150 -15.8150 -15.7993 -15.7993 -0.4238 -0.4238 -0.4177 -0.4177 1.4753 1.4753 1.7011 1.7011 1.7139 1.7139 1.7310 1.7310 4.5465 4.5465 9.7600 9.7600 10.3728 10.3728 10.4438 10.4438 11.2231 11.2231 11.5024 11.5024 11.6191 11.6191 11.7174 11.7174 11.7885 11.7885 13.1144 13.1144 13.8436 13.8436 14.0384 14.0384 k = 0.0000 0.1857-0.0000 ( 3823 PWs) bands (ev): -37.5434 -37.5434 -37.4719 -37.4719 -37.4658 -37.4658 -16.5784 -16.5784 -16.5649 -16.5649 -16.4221 -16.4221 -16.0871 -16.0871 -16.0766 -16.0766 -16.0392 -16.0392 -16.0082 -16.0082 -15.8189 -15.8189 -15.8006 -15.8006 -0.4232 -0.4232 -0.4162 -0.4162 1.5008 1.5008 1.7022 1.7022 1.7169 1.7169 1.7317 1.7317 4.5657 4.5657 9.6733 9.6733 10.3614 10.3614 10.4292 10.4292 11.1436 11.1436 11.4673 11.4673 11.6024 11.6024 11.7445 11.7445 11.8014 11.8014 13.0913 13.0913 13.8432 13.8432 14.0324 14.0324 k = 0.0000 0.2000-0.0000 ( 3823 PWs) bands (ev): -37.5425 -37.5425 -37.4729 -37.4729 -37.4658 -37.4658 -16.5779 -16.5779 -16.5623 -16.5623 -16.4230 -16.4230 -16.0879 -16.0879 -16.0754 -16.0754 -16.0371 -16.0371 -16.0090 -16.0090 -15.8231 -15.8231 -15.8019 -15.8019 -0.4226 -0.4226 -0.4146 -0.4146 1.5276 1.5276 1.7034 1.7034 1.7201 1.7201 1.7325 1.7325 4.5858 4.5858 9.5869 9.5869 10.3499 10.3499 10.4144 10.4144 11.0561 11.0561 11.4307 11.4307 11.5838 11.5838 11.7697 11.7697 11.8198 11.8198 13.0749 13.0749 13.8486 13.8486 14.0300 14.0300 k = 0.0000 0.2143-0.0000 ( 3823 PWs) bands (ev): -37.5415 -37.5415 -37.4738 -37.4738 -37.4658 -37.4658 -16.5774 -16.5774 -16.5595 -16.5595 -16.4240 -16.4240 -16.0887 -16.0887 -16.0742 -16.0742 -16.0348 -16.0348 -16.0098 -16.0098 -15.8276 -15.8276 -15.8033 -15.8033 -0.4220 -0.4220 -0.4130 -0.4130 1.5556 1.5556 1.7046 1.7046 1.7235 1.7235 1.7333 1.7333 4.6067 4.6067 9.5015 9.5015 10.3384 10.3384 10.3993 10.3993 10.9615 10.9615 11.3933 11.3933 11.5641 11.5641 11.7893 11.7893 11.8466 11.8466 13.0650 13.0650 13.8585 13.8585 14.0310 14.0310 k = 0.0000 0.2286-0.0000 ( 3811 PWs) bands (ev): -37.5405 -37.5405 -37.4749 -37.4749 -37.4658 -37.4658 -16.5769 -16.5769 -16.5567 -16.5567 -16.4252 -16.4252 -16.0896 -16.0896 -16.0728 -16.0728 -16.0322 -16.0322 -16.0106 -16.0106 -15.8322 -15.8322 -15.8047 -15.8047 -0.4214 -0.4214 -0.4114 -0.4114 1.5847 1.5847 1.7058 1.7058 1.7269 1.7269 1.7342 1.7342 4.6280 4.6280 9.4180 9.4180 10.3268 10.3268 10.3843 10.3843 10.8612 10.8612 11.3557 11.3557 11.5437 11.5437 11.8040 11.8040 11.8809 11.8809 13.0612 13.0612 13.8720 13.8720 14.0350 14.0350 k = 0.0000 0.2429-0.0000 ( 3811 PWs) bands (ev): -37.5394 -37.5394 -37.4759 -37.4759 -37.4658 -37.4658 -16.5764 -16.5764 -16.5536 -16.5536 -16.4265 -16.4265 -16.0906 -16.0906 -16.0715 -16.0715 -16.0294 -16.0294 -16.0115 -16.0115 -15.8371 -15.8371 -15.8061 -15.8061 -0.4208 -0.4208 -0.4097 -0.4097 1.6145 1.6145 1.7070 1.7070 1.7305 1.7305 1.7350 1.7350 4.6497 4.6497 9.3372 9.3372 10.3150 10.3150 10.3694 10.3694 10.7566 10.7566 11.3182 11.3182 11.5226 11.5226 11.8163 11.8163 11.9198 11.9198 13.0627 13.0627 13.8884 13.8884 14.0417 14.0417 k = 0.0000 0.2571-0.0000 ( 3811 PWs) bands (ev): -37.5383 -37.5383 -37.4771 -37.4771 -37.4658 -37.4658 -16.5759 -16.5759 -16.5505 -16.5505 -16.4278 -16.4278 -16.0917 -16.0917 -16.0700 -16.0700 -16.0264 -16.0264 -16.0125 -16.0125 -15.8422 -15.8422 -15.8075 -15.8075 -0.4201 -0.4201 -0.4081 -0.4081 1.6448 1.6448 1.7082 1.7082 1.7341 1.7341 1.7359 1.7359 4.6716 4.6716 9.2595 9.2595 10.3027 10.3027 10.3546 10.3546 10.6496 10.6496 11.2812 11.2812 11.5014 11.5014 11.8277 11.8277 11.9617 11.9617 13.0687 13.0687 13.9069 13.9069 14.0507 14.0508 k = 0.0000 0.2714-0.0000 ( 3831 PWs) bands (ev): -37.5371 -37.5371 -37.4782 -37.4782 -37.4657 -37.4657 -16.5754 -16.5754 -16.5473 -16.5473 -16.4294 -16.4294 -16.0928 -16.0928 -16.0685 -16.0685 -16.0231 -16.0231 -16.0136 -16.0136 -15.8476 -15.8476 -15.8090 -15.8090 -0.4196 -0.4196 -0.4065 -0.4065 1.6752 1.6752 1.7093 1.7093 1.7366 1.7366 1.7381 1.7381 4.6933 4.6933 9.1855 9.1855 10.2890 10.2890 10.3402 10.3402 10.5421 10.5421 11.2450 11.2450 11.4800 11.4800 11.8384 11.8384 12.0057 12.0057 13.0786 13.0786 13.9270 13.9270 14.0615 14.0615 k = 0.0000 0.2857-0.0000 ( 3823 PWs) bands (ev): -37.5359 -37.5359 -37.4794 -37.4794 -37.4657 -37.4657 -16.5749 -16.5749 -16.5440 -16.5440 -16.4310 -16.4310 -16.0939 -16.0939 -16.0669 -16.0669 -16.0196 -16.0196 -16.0146 -16.0146 -15.8530 -15.8530 -15.8104 -15.8104 -0.4189 -0.4189 -0.4048 -0.4048 1.7048 1.7048 1.7105 1.7105 1.7375 1.7375 1.7429 1.7429 4.7148 4.7148 9.1161 9.1161 10.2713 10.2713 10.3263 10.3263 10.4382 10.4382 11.2102 11.2102 11.4590 11.4590 11.8489 11.8489 12.0513 12.0513 13.0916 13.0916 13.9484 13.9484 14.0728 14.0737 k = 0.0000 0.3000-0.0000 ( 3831 PWs) bands (ev): -37.5347 -37.5347 -37.4806 -37.4806 -37.4657 -37.4657 -16.5744 -16.5744 -16.5406 -16.5406 -16.4328 -16.4328 -16.0951 -16.0951 -16.0652 -16.0652 -16.0159 -16.0159 -16.0158 -16.0158 -15.8586 -15.8586 -15.8119 -15.8119 -0.4184 -0.4184 -0.4033 -0.4033 1.7117 1.7117 1.7299 1.7299 1.7383 1.7383 1.7520 1.7520 4.7358 4.7358 9.0516 9.0516 10.2379 10.2379 10.3128 10.3128 10.3505 10.3505 11.1765 11.1765 11.4383 11.4383 11.8593 11.8593 12.0982 12.0982 13.1071 13.1071 13.9704 13.9704 14.0709 14.0711 k = 0.0000 0.3143-0.0000 ( 3820 PWs) bands (ev): -37.5335 -37.5335 -37.4818 -37.4818 -37.4657 -37.4657 -16.5739 -16.5739 -16.5371 -16.5371 -16.4346 -16.4346 -16.0962 -16.0962 -16.0634 -16.0634 -16.0170 -16.0170 -16.0119 -16.0119 -15.8643 -15.8643 -15.8132 -15.8132 -0.4178 -0.4178 -0.4017 -0.4017 1.7128 1.7128 1.7392 1.7392 1.7416 1.7416 1.7742 1.7742 4.7561 4.7561 8.9926 8.9926 10.1663 10.1663 10.3000 10.3000 10.3025 10.3025 11.1445 11.1445 11.4183 11.4183 11.8693 11.8693 12.1459 12.1459 13.1244 13.1244 13.9927 13.9927 14.0527 14.0527 k = 0.0000 0.3286-0.0000 ( 3824 PWs) bands (ev): -37.5322 -37.5322 -37.4831 -37.4831 -37.4657 -37.4657 -16.5734 -16.5734 -16.5336 -16.5336 -16.4366 -16.4366 -16.0972 -16.0972 -16.0617 -16.0617 -16.0183 -16.0183 -16.0077 -16.0077 -15.8702 -15.8702 -15.8146 -15.8146 -0.4172 -0.4172 -0.4002 -0.4002 1.7139 1.7139 1.7399 1.7399 1.7466 1.7466 1.8023 1.8023 4.7755 4.7755 8.9395 8.9395 10.0699 10.0699 10.2818 10.2818 10.2878 10.2878 11.1141 11.1141 11.3990 11.3990 11.8790 11.8790 12.1941 12.1941 13.1431 13.1431 14.0150 14.0150 14.0333 14.0333 k = 0.0000 0.3429-0.0000 ( 3816 PWs) bands (ev): -37.5309 -37.5309 -37.4843 -37.4843 -37.4657 -37.4657 -16.5730 -16.5730 -16.5301 -16.5301 -16.4386 -16.4386 -16.0983 -16.0983 -16.0599 -16.0599 -16.0196 -16.0196 -16.0033 -16.0033 -15.8762 -15.8762 -15.8158 -15.8158 -0.4167 -0.4167 -0.3987 -0.3987 1.7149 1.7149 1.7407 1.7407 1.7502 1.7502 1.8307 1.8307 4.7939 4.7939 8.8926 8.8926 9.9686 9.9686 10.2693 10.2693 10.2764 10.2764 11.0856 11.0856 11.3807 11.3807 11.8884 11.8884 12.2423 12.2423 13.1625 13.1625 14.0144 14.0144 14.0369 14.0369 k = 0.0000 0.3571-0.0000 ( 3816 PWs) bands (ev): -37.5297 -37.5297 -37.4856 -37.4856 -37.4657 -37.4657 -16.5726 -16.5726 -16.5266 -16.5266 -16.4407 -16.4407 -16.0993 -16.0993 -16.0580 -16.0580 -16.0210 -16.0210 -15.9988 -15.9988 -15.8822 -15.8822 -15.8170 -15.8170 -0.4162 -0.4162 -0.3974 -0.3974 1.7158 1.7158 1.7414 1.7414 1.7532 1.7532 1.8583 1.8583 4.8110 4.8110 8.8523 8.8523 9.8682 9.8682 10.2598 10.2598 10.2657 10.2657 11.0591 11.0591 11.3634 11.3634 11.8974 11.8974 12.2900 12.2900 13.1822 13.1822 13.9965 13.9965 14.0581 14.0581 k = 0.0000 0.3714-0.0000 ( 3820 PWs) bands (ev): -37.5285 -37.5285 -37.4868 -37.4868 -37.4657 -37.4657 -16.5722 -16.5722 -16.5231 -16.5231 -16.4429 -16.4429 -16.1002 -16.1002 -16.0562 -16.0562 -16.0224 -16.0224 -15.9940 -15.9940 -15.8883 -15.8883 -15.8182 -15.8182 -0.4157 -0.4157 -0.3962 -0.3962 1.7167 1.7167 1.7421 1.7421 1.7559 1.7559 1.8845 1.8845 4.8267 4.8267 8.8186 8.8186 9.7710 9.7710 10.2520 10.2520 10.2560 10.2560 11.0347 11.0347 11.3474 11.3474 11.9059 11.9059 12.3366 12.3366 13.2016 13.2016 13.9796 13.9796 14.0783 14.0783 k = 0.0000 0.3857-0.0000 ( 3816 PWs) bands (ev): -37.5273 -37.5273 -37.4880 -37.4880 -37.4657 -37.4657 -16.5718 -16.5718 -16.5197 -16.5197 -16.4452 -16.4452 -16.1011 -16.1011 -16.0543 -16.0543 -16.0239 -16.0239 -15.9891 -15.9891 -15.8946 -15.8946 -15.8193 -15.8193 -0.4152 -0.4152 -0.3951 -0.3951 1.7176 1.7176 1.7427 1.7427 1.7584 1.7584 1.9090 1.9090 4.8410 4.8410 8.7917 8.7917 9.6784 9.6784 10.2454 10.2454 10.2471 10.2471 11.0126 11.0126 11.3328 11.3328 11.9137 11.9137 12.3816 12.3816 13.2205 13.2205 13.9641 13.9641 14.0972 14.0972 k = 0.0000 0.4000-0.0000 ( 3812 PWs) bands (ev): -37.5261 -37.5261 -37.4891 -37.4891 -37.4657 -37.4657 -16.5714 -16.5714 -16.5163 -16.5163 -16.4475 -16.4475 -16.1018 -16.1018 -16.0523 -16.0523 -16.0254 -16.0254 -15.9840 -15.9840 -15.9008 -15.9008 -15.8202 -15.8202 -0.4148 -0.4148 -0.3940 -0.3940 1.7183 1.7183 1.7433 1.7433 1.7606 1.7606 1.9314 1.9314 4.8537 4.8537 8.7715 8.7715 9.5913 9.5913 10.2392 10.2392 10.2397 10.2397 10.9929 10.9929 11.3197 11.3197 11.9208 11.9208 12.4243 12.4243 13.2383 13.2383 13.9499 13.9499 14.1146 14.1147 k = 0.0000 0.4143-0.0000 ( 3828 PWs) bands (ev): -37.5251 -37.5251 -37.4902 -37.4902 -37.4657 -37.4657 -16.5712 -16.5712 -16.5133 -16.5133 -16.4497 -16.4497 -16.1026 -16.1026 -16.0505 -16.0505 -16.0270 -16.0270 -15.9788 -15.9788 -15.9070 -15.9070 -15.8211 -15.8211 -0.4145 -0.4145 -0.3932 -0.3932 1.7189 1.7189 1.7437 1.7437 1.7624 1.7624 1.9514 1.9514 4.8648 4.8648 8.7575 8.7575 9.5107 9.5107 10.2322 10.2322 10.2349 10.2349 10.9755 10.9755 11.3080 11.3080 11.9272 11.9272 12.4638 12.4638 13.2545 13.2545 13.9374 13.9374 14.1303 14.1303 k = 0.0000 0.4286-0.0000 ( 3836 PWs) bands (ev): -37.5241 -37.5241 -37.4912 -37.4912 -37.4657 -37.4657 -16.5710 -16.5710 -16.5104 -16.5104 -16.4519 -16.4519 -16.1032 -16.1032 -16.0486 -16.0486 -16.0286 -16.0286 -15.9734 -15.9734 -15.9133 -15.9133 -15.8218 -15.8218 -0.4142 -0.4142 -0.3925 -0.3925 1.7195 1.7195 1.7441 1.7441 1.7640 1.7640 1.9688 1.9688 4.8741 4.8741 8.7493 8.7493 9.4380 9.4380 10.2262 10.2262 10.2308 10.2308 10.9606 10.9606 11.2979 11.2979 11.9327 11.9327 12.4993 12.4993 13.2691 13.2691 13.9266 13.9266 14.1439 14.1439 k = 0.0000 0.4429-0.0000 ( 3828 PWs) bands (ev): -37.5232 -37.5232 -37.4920 -37.4920 -37.4657 -37.4657 -16.5708 -16.5708 -16.5077 -16.5077 -16.4538 -16.4538 -16.1037 -16.1037 -16.0467 -16.0467 -16.0302 -16.0302 -15.9678 -15.9678 -15.9195 -15.9195 -15.8224 -15.8224 -0.4140 -0.4140 -0.3918 -0.3918 1.7199 1.7199 1.7445 1.7445 1.7654 1.7654 1.9834 1.9834 4.8818 4.8818 8.7460 8.7460 9.3747 9.3747 10.2214 10.2214 10.2276 10.2276 10.9483 10.9483 11.2897 11.2897 11.9374 11.9374 12.5300 12.5300 13.2815 13.2815 13.9176 13.9176 14.1554 14.1554 k = 0.0000 0.4571-0.0000 ( 3828 PWs) bands (ev): -37.5225 -37.5225 -37.4927 -37.4927 -37.4657 -37.4657 -16.5706 -16.5706 -16.5055 -16.5055 -16.4555 -16.4555 -16.1041 -16.1041 -16.0450 -16.0450 -16.0318 -16.0318 -15.9622 -15.9622 -15.9257 -15.9257 -15.8228 -15.8228 -0.4138 -0.4138 -0.3913 -0.3913 1.7203 1.7203 1.7447 1.7447 1.7664 1.7664 1.9950 1.9950 4.8877 4.8877 8.7462 8.7462 9.3221 9.3221 10.2176 10.2176 10.2251 10.2251 10.9387 10.9387 11.2831 11.2831 11.9410 11.9410 12.5551 12.5551 13.2915 13.2915 13.9105 13.9105 14.1645 14.1645 k = 0.0000 0.4714-0.0000 ( 3816 PWs) bands (ev): -37.5220 -37.5220 -37.4933 -37.4933 -37.4657 -37.4657 -16.5705 -16.5705 -16.5038 -16.5038 -16.4568 -16.4568 -16.1044 -16.1044 -16.0434 -16.0434 -16.0332 -16.0332 -15.9564 -15.9564 -15.9317 -15.9317 -15.8231 -15.8231 -0.4136 -0.4136 -0.3909 -0.3909 1.7206 1.7206 1.7450 1.7450 1.7672 1.7672 2.0035 2.0035 4.8920 4.8920 8.7484 8.7484 9.2824 9.2824 10.2149 10.2149 10.2233 10.2233 10.9318 10.9318 11.2785 11.2785 11.9438 11.9438 12.5737 12.5737 13.2989 13.2989 13.9053 13.9053 14.1711 14.1711 k = 0.0000 0.4857-0.0000 ( 3804 PWs) bands (ev): -37.5216 -37.5216 -37.4936 -37.4936 -37.4657 -37.4657 -16.5704 -16.5704 -16.5027 -16.5027 -16.4575 -16.4575 -16.1046 -16.1046 -16.0421 -16.0421 -16.0344 -16.0344 -15.9508 -15.9508 -15.9376 -15.9376 -15.8233 -15.8233 -0.4135 -0.4135 -0.3906 -0.3906 1.7208 1.7208 1.7451 1.7451 1.7677 1.7677 2.0086 2.0086 4.8945 4.8945 8.7507 8.7507 9.2575 9.2575 10.2133 10.2133 10.2223 10.2223 10.9277 10.9277 11.2757 11.2757 11.9455 11.9455 12.5851 12.5851 13.3034 13.3034 13.9022 13.9022 14.1751 14.1751 k = 0.0000 0.5000-0.0000 ( 3804 PWs) bands (ev): -37.5215 -37.5215 -37.4937 -37.4937 -37.4657 -37.4657 -16.5704 -16.5704 -16.5023 -16.5023 -16.4578 -16.4578 -16.1046 -16.1046 -16.0416 -16.0416 -16.0349 -16.0349 -15.9468 -15.9468 -15.9416 -15.9416 -15.8233 -15.8233 -0.4135 -0.4135 -0.3905 -0.3905 1.7208 1.7208 1.7452 1.7452 1.7679 1.7679 2.0103 2.0103 4.8954 4.8954 8.7517 8.7517 9.2490 9.2490 10.2127 10.2127 10.2220 10.2220 10.9263 10.9263 11.2747 11.2747 11.9461 11.9461 12.5889 12.5889 13.3049 13.3049 13.9012 13.9012 14.1765 14.1765 k = 0.0000 0.5000-0.0000 ( 3804 PWs) bands (ev): -37.5215 -37.5215 -37.4937 -37.4937 -37.4657 -37.4657 -16.5704 -16.5704 -16.5023 -16.5023 -16.4578 -16.4578 -16.1046 -16.1046 -16.0416 -16.0416 -16.0349 -16.0349 -15.9468 -15.9468 -15.9416 -15.9416 -15.8233 -15.8233 -0.4135 -0.4135 -0.3905 -0.3905 1.7208 1.7208 1.7452 1.7452 1.7679 1.7679 2.0103 2.0103 4.8954 4.8954 8.7517 8.7517 9.2490 9.2490 10.2127 10.2127 10.2220 10.2220 10.9263 10.9263 11.2747 11.2747 11.9461 11.9461 12.5889 12.5889 13.3049 13.3049 13.9012 13.9012 14.1765 14.1765 k = 0.0143 0.5000-0.0000 ( 3804 PWs) bands (ev): -37.5215 -37.5215 -37.4937 -37.4937 -37.4657 -37.4657 -16.5704 -16.5704 -16.5024 -16.5024 -16.4579 -16.4579 -16.1046 -16.1046 -16.0426 -16.0426 -16.0339 -16.0339 -15.9483 -15.9483 -15.9401 -15.9401 -15.8233 -15.8233 -0.4134 -0.4134 -0.3905 -0.3905 1.7209 1.7209 1.7450 1.7450 1.7678 1.7678 2.0117 2.0117 4.8963 4.8963 8.7517 8.7517 9.2461 9.2461 10.2106 10.2106 10.2199 10.2199 10.9258 10.9258 11.2742 11.2742 11.9487 11.9487 12.5895 12.5895 13.3051 13.3051 13.8955 13.8955 14.1801 14.1801 k = 0.0286 0.5000-0.0000 ( 3818 PWs) bands (ev): -37.5214 -37.5214 -37.4937 -37.4937 -37.4658 -37.4658 -16.5702 -16.5702 -16.5027 -16.5027 -16.4580 -16.4580 -16.1046 -16.1046 -16.0447 -16.0447 -16.0317 -16.0317 -15.9511 -15.9511 -15.9374 -15.9374 -15.8233 -15.8233 -0.4134 -0.4134 -0.3906 -0.3906 1.7211 1.7211 1.7445 1.7445 1.7677 1.7677 2.0156 2.0156 4.8991 4.8991 8.7517 8.7517 9.2377 9.2377 10.2040 10.2040 10.2137 10.2137 10.9245 10.9245 11.2728 11.2728 11.9563 11.9563 12.5910 12.5910 13.3059 13.3059 13.8796 13.8796 14.1896 14.1896 k = 0.0429 0.5000-0.0000 ( 3820 PWs) bands (ev): -37.5213 -37.5213 -37.4937 -37.4937 -37.4659 -37.4659 -16.5700 -16.5700 -16.5031 -16.5031 -16.4583 -16.4583 -16.1045 -16.1045 -16.0471 -16.0471 -16.0293 -16.0293 -15.9541 -15.9541 -15.9346 -15.9346 -15.8232 -15.8232 -0.4132 -0.4132 -0.3906 -0.3906 1.7215 1.7215 1.7437 1.7437 1.7677 1.7677 2.0221 2.0221 4.9038 4.9038 8.7516 8.7516 9.2238 9.2238 10.1926 10.1926 10.2044 10.2044 10.9222 10.9222 11.2704 11.2704 11.9691 11.9691 12.5937 12.5937 13.3070 13.3070 13.8559 13.8559 14.2028 14.2028 k = 0.0571 0.5000-0.0000 ( 3816 PWs) bands (ev): -37.5211 -37.5211 -37.4937 -37.4937 -37.4661 -37.4661 -16.5696 -16.5696 -16.5037 -16.5037 -16.4586 -16.4586 -16.1044 -16.1044 -16.0497 -16.0497 -16.0267 -16.0267 -15.9570 -15.9570 -15.9317 -15.9317 -15.8229 -15.8229 -0.4130 -0.4130 -0.3906 -0.3906 1.7221 1.7221 1.7427 1.7427 1.7676 1.7676 2.0310 2.0310 4.9104 4.9104 8.7511 8.7511 9.2046 9.2046 10.1766 10.1766 10.1924 10.1924 10.9188 10.9188 11.2669 11.2669 11.9867 11.9867 12.5977 12.5977 13.3086 13.3086 13.8269 13.8269 14.2178 14.2178 k = 0.0714 0.5000-0.0000 ( 3816 PWs) bands (ev): -37.5208 -37.5208 -37.4937 -37.4937 -37.4663 -37.4663 -16.5692 -16.5692 -16.5045 -16.5045 -16.4590 -16.4590 -16.1042 -16.1042 -16.0522 -16.0522 -16.0242 -16.0242 -15.9598 -15.9598 -15.9290 -15.9290 -15.8227 -15.8227 -0.4126 -0.4126 -0.3907 -0.3907 1.7228 1.7228 1.7414 1.7414 1.7677 1.7677 2.0423 2.0423 4.9188 4.9188 8.7500 8.7500 9.1804 9.1804 10.1564 10.1564 10.1779 10.1779 10.9141 10.9141 11.2623 11.2623 12.0090 12.0090 12.6031 12.6031 13.3103 13.3103 13.7945 13.7945 14.2342 14.2343 k = 0.0857 0.5000-0.0000 ( 3826 PWs) bands (ev): -37.5205 -37.5205 -37.4937 -37.4937 -37.4666 -37.4666 -16.5687 -16.5687 -16.5054 -16.5054 -16.4595 -16.4595 -16.1041 -16.1041 -16.0547 -16.0547 -16.0219 -16.0219 -15.9624 -15.9624 -15.9264 -15.9264 -15.8223 -15.8223 -0.4123 -0.4123 -0.3908 -0.3908 1.7236 1.7236 1.7398 1.7398 1.7677 1.7677 2.0558 2.0558 4.9291 4.9291 8.7476 8.7476 9.1514 9.1514 10.1329 10.1329 10.1611 10.1611 10.9079 10.9079 11.2565 11.2565 12.0355 12.0355 12.6100 12.6100 13.3121 13.3121 13.7600 13.7600 14.2524 14.2532 k = 0.1000 0.5000-0.0000 ( 3830 PWs) bands (ev): -37.5202 -37.5202 -37.4937 -37.4937 -37.4670 -37.4670 -16.5682 -16.5682 -16.5064 -16.5064 -16.4601 -16.4601 -16.1039 -16.1039 -16.0571 -16.0571 -16.0197 -16.0197 -15.9648 -15.9648 -15.9240 -15.9240 -15.8218 -15.8218 -0.4119 -0.4119 -0.3909 -0.3909 1.7246 1.7246 1.7381 1.7381 1.7680 1.7680 2.0715 2.0715 4.9411 4.9411 8.7438 8.7438 9.1182 9.1182 10.1070 10.1070 10.1422 10.1422 10.9001 10.9001 11.2495 11.2495 12.0659 12.0659 12.6188 12.6188 13.3138 13.3138 13.7243 13.7243 14.2728 14.2872 k = 0.1143 0.5000-0.0000 ( 3822 PWs) bands (ev): -37.5197 -37.5197 -37.4937 -37.4937 -37.4674 -37.4674 -16.5674 -16.5674 -16.5075 -16.5075 -16.4607 -16.4607 -16.1036 -16.1036 -16.0594 -16.0594 -16.0178 -16.0178 -15.9668 -15.9668 -15.9218 -15.9218 -15.8212 -15.8212 -0.4114 -0.4114 -0.3910 -0.3910 1.7257 1.7257 1.7364 1.7364 1.7684 1.7684 2.0892 2.0892 4.9550 4.9550 8.7379 8.7379 9.0810 9.0810 10.0799 10.0799 10.1215 10.1215 10.8906 10.8906 11.2417 11.2417 12.1000 12.1000 12.6294 12.6294 13.3153 13.3153 13.6881 13.6881 14.2757 14.2757 k = 0.1286 0.5000-0.0000 ( 3818 PWs) bands (ev): -37.5193 -37.5193 -37.4937 -37.4937 -37.4679 -37.4679 -16.5667 -16.5667 -16.5088 -16.5088 -16.4615 -16.4615 -16.1034 -16.1034 -16.0616 -16.0616 -16.0162 -16.0162 -15.9684 -15.9684 -15.9199 -15.9199 -15.8204 -15.8204 -0.4108 -0.4108 -0.3910 -0.3910 1.7267 1.7267 1.7346 1.7346 1.7689 1.7689 2.1088 2.1088 4.9706 4.9706 8.7291 8.7291 9.0403 9.0403 10.0526 10.0526 10.0994 10.0994 10.8790 10.8790 11.2328 11.2328 12.1371 12.1371 12.6421 12.6421 13.3163 13.3163 13.6517 13.6517 14.2509 14.2509 k = 0.1429 0.5000-0.0000 ( 3820 PWs) bands (ev): -37.5187 -37.5187 -37.4937 -37.4937 -37.4684 -37.4684 -16.5658 -16.5658 -16.5101 -16.5101 -16.4624 -16.4624 -16.1031 -16.1031 -16.0637 -16.0637 -16.0150 -16.0150 -15.9696 -15.9696 -15.9182 -15.9182 -15.8196 -15.8196 -0.4102 -0.4102 -0.3911 -0.3911 1.7276 1.7276 1.7331 1.7331 1.7695 1.7695 2.1301 2.1301 4.9879 4.9879 8.7169 8.7169 8.9965 8.9965 10.0261 10.0261 10.0760 10.0760 10.8652 10.8652 11.2232 11.2232 12.1771 12.1771 12.6568 12.6568 13.3167 13.3167 13.6156 13.6156 14.2256 14.2256 k = 0.1571 0.5000-0.0000 ( 3816 PWs) bands (ev): -37.5182 -37.5182 -37.4937 -37.4937 -37.4690 -37.4690 -16.5649 -16.5649 -16.5115 -16.5115 -16.4634 -16.4634 -16.1027 -16.1027 -16.0657 -16.0657 -16.0143 -16.0143 -15.9703 -15.9703 -15.9168 -15.9168 -15.8186 -15.8186 -0.4096 -0.4096 -0.3912 -0.3912 1.7278 1.7278 1.7323 1.7323 1.7703 1.7703 2.1531 2.1531 5.0068 5.0068 8.7005 8.7005 8.9500 8.9500 10.0016 10.0016 10.0517 10.0517 10.8492 10.8492 11.2132 11.2132 12.2195 12.2195 12.6737 12.6737 13.3163 13.3163 13.5800 13.5800 14.2006 14.2006 k = 0.1714 0.5000-0.0000 ( 3812 PWs) bands (ev): -37.5175 -37.5175 -37.4936 -37.4936 -37.4696 -37.4696 -16.5638 -16.5638 -16.5130 -16.5130 -16.4645 -16.4645 -16.1023 -16.1023 -16.0675 -16.0675 -16.0140 -16.0140 -15.9704 -15.9704 -15.9157 -15.9157 -15.8175 -15.8175 -0.4089 -0.4089 -0.3914 -0.3914 1.7269 1.7269 1.7327 1.7327 1.7712 1.7712 2.1775 2.1775 5.0273 5.0273 8.6794 8.6794 8.9014 8.9014 9.9801 9.9801 10.0267 10.0267 10.8308 10.8308 11.2028 11.2028 12.2639 12.2639 12.6927 12.6927 13.3149 13.3149 13.5451 13.5451 14.1763 14.1763 k = 0.1857 0.5000-0.0000 ( 3816 PWs) bands (ev): -37.5169 -37.5169 -37.4936 -37.4936 -37.4702 -37.4702 -16.5627 -16.5627 -16.5146 -16.5146 -16.4657 -16.4657 -16.1020 -16.1020 -16.0692 -16.0692 -16.0143 -16.0143 -15.9700 -15.9700 -15.9149 -15.9149 -15.8163 -15.8163 -0.4083 -0.4083 -0.3915 -0.3915 1.7253 1.7253 1.7338 1.7338 1.7722 1.7722 2.2032 2.2032 5.0494 5.0494 8.6530 8.6530 8.8509 8.8509 9.9624 9.9624 10.0015 10.0015 10.8101 10.8101 11.1926 11.1926 12.3101 12.3101 12.7136 12.7136 13.3125 13.3125 13.5111 13.5111 14.1533 14.1533 k = 0.2000 0.5000-0.0000 ( 3822 PWs) bands (ev): -37.5162 -37.5162 -37.4936 -37.4936 -37.4709 -37.4709 -16.5616 -16.5616 -16.5161 -16.5161 -16.4670 -16.4670 -16.1016 -16.1016 -16.0708 -16.0708 -16.0149 -16.0149 -15.9691 -15.9691 -15.9144 -15.9144 -15.8150 -15.8150 -0.4076 -0.4076 -0.3916 -0.3916 1.7235 1.7235 1.7351 1.7351 1.7734 1.7734 2.2301 2.2301 5.0729 5.0729 8.6211 8.6211 8.7989 8.7989 9.9492 9.9492 9.9760 9.9760 10.7873 10.7873 11.1825 11.1825 12.3577 12.3577 12.7363 12.7363 13.3089 13.3089 13.4781 13.4781 14.1321 14.1321 k = 0.2143 0.5000-0.0000 ( 3810 PWs) bands (ev): -37.5154 -37.5154 -37.4936 -37.4936 -37.4717 -37.4717 -16.5603 -16.5603 -16.5177 -16.5177 -16.4684 -16.4684 -16.1012 -16.1012 -16.0722 -16.0722 -16.0159 -16.0159 -15.9679 -15.9679 -15.9141 -15.9141 -15.8135 -15.8135 -0.4068 -0.4068 -0.3917 -0.3917 1.7218 1.7218 1.7366 1.7366 1.7747 1.7747 2.2580 2.2580 5.0977 5.0977 8.5839 8.5839 8.7456 8.7456 9.9410 9.9410 9.9508 9.9508 10.7626 10.7626 11.1730 11.1730 12.4065 12.4065 12.7608 12.7608 13.3042 13.3042 13.4463 13.4463 14.1129 14.1129 k = 0.2286 0.5000-0.0000 ( 3802 PWs) bands (ev): -37.5146 -37.5146 -37.4936 -37.4936 -37.4725 -37.4725 -16.5590 -16.5590 -16.5192 -16.5192 -16.4700 -16.4700 -16.1008 -16.1008 -16.0734 -16.0734 -16.0172 -16.0172 -15.9663 -15.9663 -15.9141 -15.9141 -15.8119 -15.8119 -0.4060 -0.4060 -0.3918 -0.3918 1.7201 1.7201 1.7381 1.7381 1.7760 1.7760 2.2868 2.2868 5.1238 5.1238 8.5417 8.5417 8.6913 8.6913 9.9257 9.9257 9.9381 9.9381 10.7363 10.7363 11.1640 11.1640 12.4560 12.4560 12.7867 12.7867 13.2983 13.2983 13.4158 13.4158 14.0960 14.0960 k = 0.2429 0.5000-0.0000 ( 3806 PWs) bands (ev): -37.5137 -37.5137 -37.4936 -37.4936 -37.4733 -37.4733 -16.5577 -16.5577 -16.5208 -16.5208 -16.4716 -16.4716 -16.1005 -16.1005 -16.0744 -16.0744 -16.0187 -16.0187 -15.9645 -15.9645 -15.9143 -15.9143 -15.8103 -15.8103 -0.4053 -0.4053 -0.3920 -0.3920 1.7183 1.7183 1.7395 1.7395 1.7775 1.7775 2.3162 2.3162 5.1509 5.1509 8.4952 8.4952 8.6360 8.6360 9.9012 9.9012 9.9400 9.9400 10.7089 10.7089 11.1556 11.1556 12.5059 12.5059 12.8139 12.8139 13.2914 13.2914 13.3866 13.3866 14.0814 14.0814 k = 0.2571 0.5000-0.0000 ( 3806 PWs) bands (ev): -37.5128 -37.5128 -37.4936 -37.4936 -37.4742 -37.4742 -16.5563 -16.5563 -16.5223 -16.5223 -16.4733 -16.4733 -16.1003 -16.1003 -16.0752 -16.0752 -16.0203 -16.0203 -15.9626 -15.9626 -15.9148 -15.9148 -15.8087 -15.8087 -0.4046 -0.4046 -0.3921 -0.3921 1.7167 1.7167 1.7409 1.7409 1.7790 1.7790 2.3461 2.3461 5.1791 5.1791 8.4453 8.4453 8.5798 8.5798 9.8772 9.8772 9.9466 9.9466 10.6808 10.6808 11.1479 11.1479 12.5561 12.5561 12.8421 12.8421 13.2836 13.2836 13.3589 13.3589 14.0692 14.0692 k = 0.2714 0.5000-0.0000 ( 3794 PWs) bands (ev): -37.5119 -37.5119 -37.4936 -37.4936 -37.4751 -37.4751 -16.5549 -16.5549 -16.5237 -16.5237 -16.4751 -16.4751 -16.1001 -16.1001 -16.0757 -16.0757 -16.0219 -16.0219 -15.9606 -15.9606 -15.9154 -15.9154 -15.8070 -15.8070 -0.4038 -0.4038 -0.3922 -0.3922 1.7152 1.7152 1.7423 1.7423 1.7806 1.7806 2.3763 2.3763 5.2080 5.2080 8.3928 8.3928 8.5230 8.5230 9.8541 9.8541 9.9573 9.9573 10.6527 10.6527 11.1409 11.1409 12.6061 12.6061 12.8710 12.8710 13.2750 13.2750 13.3328 13.3328 14.0592 14.0592 k = 0.2857 0.5000-0.0000 ( 3802 PWs) bands (ev): -37.5109 -37.5109 -37.4936 -37.4936 -37.4761 -37.4761 -16.5535 -16.5535 -16.5251 -16.5251 -16.4770 -16.4770 -16.1001 -16.1001 -16.0760 -16.0760 -16.0237 -16.0237 -15.9586 -15.9586 -15.9163 -15.9163 -15.8053 -15.8053 -0.4031 -0.4031 -0.3923 -0.3923 1.7137 1.7137 1.7436 1.7436 1.7822 1.7822 2.4065 2.4065 5.2375 5.2375 8.3387 8.3387 8.4658 8.4658 9.8317 9.8317 9.9713 9.9713 10.6249 10.6249 11.1344 11.1344 12.6558 12.6558 12.9004 12.9004 13.2657 13.2657 13.3083 13.3083 14.0513 14.0513 k = 0.3000 0.5000-0.0000 ( 3794 PWs) bands (ev): -37.5099 -37.5099 -37.4935 -37.4935 -37.4771 -37.4771 -16.5520 -16.5520 -16.5263 -16.5263 -16.4790 -16.4790 -16.1001 -16.1001 -16.0760 -16.0760 -16.0254 -16.0254 -15.9565 -15.9565 -15.9172 -15.9172 -15.8036 -15.8036 -0.4024 -0.4024 -0.3924 -0.3924 1.7123 1.7123 1.7448 1.7448 1.7839 1.7839 2.4365 2.4365 5.2675 5.2675 8.2839 8.2839 8.4087 8.4087 9.8104 9.8104 9.9880 9.9880 10.5980 10.5980 11.1286 11.1286 12.7047 12.7047 12.9300 12.9300 13.2560 13.2560 13.2857 13.2857 14.0454 14.0454 k = 0.3143 0.5000-0.0000 ( 3794 PWs) bands (ev): -37.5089 -37.5089 -37.4935 -37.4935 -37.4781 -37.4781 -16.5507 -16.5507 -16.5274 -16.5274 -16.4810 -16.4810 -16.1002 -16.1002 -16.0758 -16.0758 -16.0271 -16.0271 -15.9545 -15.9545 -15.9183 -15.9183 -15.8019 -15.8019 -0.4017 -0.4017 -0.3925 -0.3925 1.7110 1.7110 1.7460 1.7460 1.7856 1.7856 2.4661 2.4661 5.2977 5.2977 8.2291 8.2291 8.3521 8.3521 9.7902 9.7902 10.0065 10.0065 10.5726 10.5726 11.1235 11.1235 12.7526 12.7526 12.9596 12.9596 13.2454 13.2454 13.2655 13.2655 14.0411 14.0411 k = 0.3286 0.5000-0.0000 ( 3800 PWs) bands (ev): -37.5078 -37.5078 -37.4935 -37.4935 -37.4792 -37.4792 -16.5494 -16.5494 -16.5283 -16.5283 -16.4832 -16.4832 -16.1005 -16.1005 -16.0754 -16.0754 -16.0289 -16.0289 -15.9526 -15.9526 -15.9195 -15.9195 -15.8003 -15.8003 -0.4011 -0.4011 -0.3926 -0.3926 1.7098 1.7098 1.7470 1.7470 1.7872 1.7872 2.4949 2.4949 5.3277 5.3277 8.1750 8.1750 8.2966 8.2966 9.7712 9.7712 10.0258 10.0258 10.5492 10.5492 11.1188 11.1188 12.7992 12.7992 12.9887 12.9887 13.2331 13.2331 13.2490 13.2490 14.0383 14.0383 k = 0.3429 0.5000-0.0000 ( 3800 PWs) bands (ev): -37.5067 -37.5067 -37.4935 -37.4935 -37.4803 -37.4803 -16.5482 -16.5482 -16.5289 -16.5289 -16.4853 -16.4853 -16.1008 -16.1008 -16.0747 -16.0747 -16.0305 -16.0305 -15.9507 -15.9507 -15.9208 -15.9208 -15.7987 -15.7987 -0.4005 -0.4005 -0.3927 -0.3927 1.7087 1.7087 1.7480 1.7480 1.7888 1.7888 2.5228 2.5228 5.3574 5.3574 8.1223 8.1223 8.2427 8.2427 9.7535 9.7535 10.0452 10.0452 10.5283 10.5283 11.1148 11.1148 12.8442 12.8442 13.0172 13.0172 13.2185 13.2185 13.2370 13.2370 14.0366 14.0366 k = 0.3571 0.5000-0.0000 ( 3798 PWs) bands (ev): -37.5056 -37.5056 -37.4935 -37.4935 -37.4814 -37.4814 -16.5473 -16.5473 -16.5292 -16.5292 -16.4874 -16.4874 -16.1011 -16.1011 -16.0739 -16.0739 -16.0321 -16.0321 -15.9489 -15.9489 -15.9221 -15.9221 -15.7972 -15.7972 -0.4000 -0.4000 -0.3928 -0.3928 1.7077 1.7077 1.7489 1.7489 1.7903 1.7903 2.5495 2.5495 5.3864 5.3864 8.0716 8.0716 8.1910 8.1910 9.7371 9.7371 10.0637 10.0637 10.5104 10.5104 11.1113 11.1113 12.8872 12.8872 13.0447 13.0447 13.2032 13.2032 13.2281 13.2281 14.0359 14.0359 k = 0.3714 0.5000-0.0000 ( 3800 PWs) bands (ev): -37.5045 -37.5045 -37.4935 -37.4935 -37.4825 -37.4825 -16.5465 -16.5465 -16.5292 -16.5292 -16.4896 -16.4896 -16.1015 -16.1015 -16.0730 -16.0730 -16.0337 -16.0337 -15.9472 -15.9472 -15.9233 -15.9233 -15.7959 -15.7959 -0.3995 -0.3995 -0.3928 -0.3928 1.7067 1.7067 1.7497 1.7497 1.7918 1.7918 2.5747 2.5747 5.4143 5.4143 8.0236 8.0236 8.1422 8.1422 9.7221 9.7221 10.0807 10.0807 10.4958 10.4958 11.1082 11.1082 12.9278 12.9278 13.0709 13.0709 13.1887 13.1887 13.2209 13.2209 14.0357 14.0357 k = 0.3857 0.5000-0.0000 ( 3800 PWs) bands (ev): -37.5033 -37.5033 -37.4935 -37.4935 -37.4837 -37.4837 -16.5460 -16.5460 -16.5289 -16.5289 -16.4918 -16.4918 -16.1019 -16.1019 -16.0720 -16.0720 -16.0352 -16.0352 -15.9456 -15.9456 -15.9246 -15.9246 -15.7946 -15.7946 -0.3990 -0.3990 -0.3928 -0.3928 1.7059 1.7059 1.7504 1.7504 1.7932 1.7932 2.5980 2.5980 5.4408 5.4408 7.9788 7.9788 8.0966 8.0966 9.7085 9.7085 10.0953 10.0953 10.4847 10.4847 11.1057 11.1057 12.9657 12.9657 13.0954 13.0954 13.1755 13.1755 13.2151 13.2151 14.0358 14.0358 k = 0.4000 0.5000-0.0000 ( 3796 PWs) bands (ev): -37.5021 -37.5021 -37.4935 -37.4935 -37.4848 -37.4848 -16.5456 -16.5456 -16.5282 -16.5282 -16.4939 -16.4939 -16.1023 -16.1023 -16.0710 -16.0710 -16.0366 -16.0366 -15.9442 -15.9442 -15.9259 -15.9259 -15.7934 -15.7934 -0.3987 -0.3987 -0.3928 -0.3928 1.7052 1.7052 1.7510 1.7510 1.7945 1.7945 2.6194 2.6194 5.4655 5.4655 7.9378 7.9378 8.0550 8.0550 9.6965 9.6965 10.1073 10.1073 10.4771 10.4771 11.1036 11.1036 13.0004 13.0004 13.1179 13.1179 13.1640 13.1640 13.2105 13.2105 14.0359 14.0359 k = 0.4143 0.5000-0.0000 ( 3804 PWs) bands (ev): -37.5009 -37.5009 -37.4935 -37.4935 -37.4860 -37.4860 -16.5455 -16.5455 -16.5273 -16.5273 -16.4961 -16.4961 -16.1027 -16.1027 -16.0699 -16.0699 -16.0380 -16.0380 -15.9428 -15.9428 -15.9271 -15.9271 -15.7925 -15.7925 -0.3984 -0.3984 -0.3929 -0.3929 1.7045 1.7045 1.7515 1.7515 1.7956 1.7956 2.6385 2.6385 5.4880 5.4880 7.9011 7.9011 8.0177 8.0177 9.6859 9.6859 10.1165 10.1165 10.4728 10.4728 11.1019 11.1019 13.0315 13.0315 13.1374 13.1374 13.1545 13.1545 13.2070 13.2070 14.0355 14.0355 k = 0.4286 0.5000-0.0000 ( 3812 PWs) bands (ev): -37.4997 -37.4997 -37.4935 -37.4935 -37.4873 -37.4873 -16.5455 -16.5455 -16.5262 -16.5262 -16.4982 -16.4982 -16.1030 -16.1030 -16.0689 -16.0689 -16.0392 -16.0392 -15.9416 -15.9416 -15.9283 -15.9283 -15.7916 -15.7916 -0.3981 -0.3981 -0.3929 -0.3929 1.7039 1.7039 1.7519 1.7519 1.7965 1.7965 2.6551 2.6551 5.5079 5.5079 7.8690 7.8690 7.9852 7.9852 9.6769 9.6769 10.1230 10.1230 10.4710 10.4710 11.1006 11.1006 13.0587 13.0587 13.1433 13.1433 13.1577 13.1577 13.2047 13.2047 14.0340 14.0340 k = 0.4429 0.5000-0.0000 ( 3824 PWs) bands (ev): -37.4985 -37.4985 -37.4935 -37.4935 -37.4885 -37.4885 -16.5456 -16.5456 -16.5250 -16.5250 -16.5001 -16.5001 -16.1033 -16.1033 -16.0680 -16.0680 -16.0403 -16.0403 -15.9405 -15.9405 -15.9293 -15.9293 -15.7909 -15.7909 -0.3980 -0.3980 -0.3929 -0.3929 1.7035 1.7035 1.7522 1.7522 1.7973 1.7973 2.6689 2.6689 5.5248 5.5248 7.8422 7.8422 7.9580 7.9580 9.6695 9.6695 10.1274 10.1274 10.4711 10.4711 11.0996 11.0996 13.0816 13.0816 13.1372 13.1372 13.1714 13.1714 13.2035 13.2035 14.0303 14.0305 k = 0.4571 0.5000-0.0000 ( 3824 PWs) bands (ev): -37.4972 -37.4972 -37.4934 -37.4934 -37.4897 -37.4897 -16.5457 -16.5457 -16.5237 -16.5237 -16.5018 -16.5018 -16.1036 -16.1036 -16.0671 -16.0671 -16.0412 -16.0412 -15.9395 -15.9395 -15.9303 -15.9303 -15.7903 -15.7903 -0.3978 -0.3978 -0.3929 -0.3929 1.7031 1.7031 1.7525 1.7525 1.7980 1.7980 2.6799 2.6799 5.5383 5.5383 7.8209 7.8209 7.9365 7.9365 9.6637 9.6637 10.1300 10.1300 10.4723 10.4723 11.0989 11.0989 13.0996 13.0996 13.1321 13.1321 13.1823 13.1823 13.2035 13.2035 14.0236 14.0243 k = 0.4714 0.5000-0.0000 ( 3820 PWs) bands (ev): -37.4960 -37.4960 -37.4934 -37.4934 -37.4910 -37.4910 -16.5458 -16.5458 -16.5227 -16.5227 -16.5032 -16.5032 -16.1037 -16.1037 -16.0665 -16.0665 -16.0419 -16.0419 -15.9387 -15.9387 -15.9310 -15.9310 -15.7899 -15.7899 -0.3977 -0.3977 -0.3928 -0.3928 1.7028 1.7028 1.7527 1.7527 1.7985 1.7985 2.6879 2.6879 5.5482 5.5482 7.8054 7.8054 7.9209 7.9209 9.6596 9.6596 10.1316 10.1316 10.4739 10.4739 11.0985 11.0985 13.1122 13.1122 13.1290 13.1290 13.1893 13.1893 13.2047 13.2047 14.0168 14.0173 k = 0.4857 0.5000-0.0000 ( 3836 PWs) bands (ev): -37.4947 -37.4947 -37.4934 -37.4934 -37.4922 -37.4922 -16.5459 -16.5459 -16.5220 -16.5220 -16.5042 -16.5042 -16.1039 -16.1039 -16.0661 -16.0661 -16.0424 -16.0424 -15.9382 -15.9382 -15.9316 -15.9316 -15.7897 -15.7897 -0.3977 -0.3977 -0.3929 -0.3929 1.7026 1.7026 1.7528 1.7528 1.7987 1.7987 2.6926 2.6926 5.5542 5.5542 7.7960 7.7960 7.9114 7.9114 9.6571 9.6571 10.1323 10.1323 10.4750 10.4750 11.0982 11.0982 13.1184 13.1184 13.1284 13.1284 13.1925 13.1925 13.2064 13.2064 14.0067 14.0076 k = 0.5000 0.5000-0.0000 ( 3836 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5459 -16.5459 -16.5217 -16.5217 -16.5045 -16.5045 -16.1039 -16.1039 -16.0660 -16.0660 -16.0425 -16.0425 -15.9380 -15.9380 -15.9318 -15.9318 -15.7896 -15.7896 -0.3977 -0.3977 -0.3929 -0.3929 1.7026 1.7026 1.7529 1.7529 1.7988 1.7988 2.6942 2.6942 5.5563 5.5563 7.7928 7.7928 7.9082 7.9082 9.6563 9.6563 10.1325 10.1325 10.4754 10.4754 11.0981 11.0981 13.1197 13.1197 13.1291 13.1291 13.1934 13.1934 13.2072 13.2072 14.0040 14.0101 k = 0.5000 0.5000-0.0000 ( 3836 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5459 -16.5459 -16.5217 -16.5217 -16.5045 -16.5045 -16.1039 -16.1039 -16.0660 -16.0660 -16.0425 -16.0425 -15.9380 -15.9380 -15.9318 -15.9318 -15.7896 -15.7896 -0.3977 -0.3977 -0.3929 -0.3929 1.7026 1.7026 1.7529 1.7529 1.7988 1.7988 2.6942 2.6942 5.5563 5.5563 7.7928 7.7928 7.9082 7.9082 9.6563 9.6563 10.1325 10.1325 10.4754 10.4754 11.0981 11.0981 13.1197 13.1197 13.1291 13.1291 13.1934 13.1934 13.2072 13.2072 14.0039 14.0041 k = 0.4900 0.4900-0.0000 ( 3836 PWs) bands (ev): -37.4947 -37.4947 -37.4934 -37.4934 -37.4922 -37.4922 -16.5459 -16.5459 -16.5220 -16.5220 -16.5042 -16.5042 -16.1039 -16.1039 -16.0661 -16.0661 -16.0424 -16.0424 -15.9382 -15.9382 -15.9316 -15.9316 -15.7897 -15.7897 -0.3977 -0.3977 -0.3929 -0.3929 1.7026 1.7026 1.7528 1.7528 1.7987 1.7987 2.6927 2.6927 5.5543 5.5543 7.7959 7.7959 7.9113 7.9113 9.6571 9.6571 10.1323 10.1323 10.4750 10.4750 11.0982 11.0982 13.1185 13.1185 13.1284 13.1284 13.1925 13.1925 13.2065 13.2065 14.0067 14.0069 k = 0.4800 0.4800-0.0000 ( 3818 PWs) bands (ev): -37.4960 -37.4960 -37.4933 -37.4933 -37.4910 -37.4910 -16.5458 -16.5458 -16.5227 -16.5227 -16.5032 -16.5032 -16.1037 -16.1037 -16.0665 -16.0665 -16.0419 -16.0419 -15.9387 -15.9387 -15.9311 -15.9311 -15.7899 -15.7899 -0.3977 -0.3977 -0.3928 -0.3928 1.7028 1.7028 1.7527 1.7527 1.7985 1.7985 2.6880 2.6880 5.5484 5.5484 7.8050 7.8050 7.9209 7.9209 9.6596 9.6596 10.1317 10.1317 10.4739 10.4739 11.0985 11.0985 13.1130 13.1130 13.1283 13.1283 13.1881 13.1881 13.2059 13.2059 14.0153 14.0160 k = 0.4700 0.4700-0.0000 ( 3818 PWs) bands (ev): -37.4973 -37.4973 -37.4932 -37.4932 -37.4899 -37.4899 -16.5457 -16.5457 -16.5237 -16.5237 -16.5018 -16.5018 -16.1036 -16.1036 -16.0671 -16.0671 -16.0413 -16.0413 -15.9394 -15.9394 -15.9303 -15.9303 -15.7903 -15.7903 -0.3978 -0.3978 -0.3928 -0.3928 1.7031 1.7031 1.7525 1.7525 1.7980 1.7980 2.6801 2.6801 5.5387 5.5387 7.8193 7.8193 7.9371 7.9371 9.6636 9.6636 10.1304 10.1304 10.4722 10.4722 11.0989 11.0989 13.1019 13.1019 13.1302 13.1302 13.1785 13.1785 13.2074 13.2074 14.0289 14.0294 k = 0.4600 0.4600-0.0000 ( 3826 PWs) bands (ev): -37.4986 -37.4986 -37.4930 -37.4930 -37.4887 -37.4887 -16.5455 -16.5455 -16.5251 -16.5251 -16.5001 -16.5001 -16.1033 -16.1033 -16.0679 -16.0679 -16.0404 -16.0404 -15.9403 -15.9403 -15.9294 -15.9294 -15.7909 -15.7909 -0.3980 -0.3980 -0.3929 -0.3929 1.7034 1.7034 1.7523 1.7523 1.7973 1.7973 2.6692 2.6692 5.5254 5.5254 7.8381 7.8381 7.9607 7.9607 9.6692 9.6692 10.1283 10.1283 10.4704 10.4704 11.0995 11.0995 13.0857 13.0857 13.1336 13.1336 13.1638 13.1638 13.2108 13.2108 14.0477 14.0836 k = 0.4500 0.4500-0.0000 ( 3828 PWs) bands (ev): -37.5000 -37.5000 -37.4928 -37.4928 -37.4876 -37.4876 -16.5454 -16.5454 -16.5266 -16.5266 -16.4980 -16.4980 -16.1031 -16.1031 -16.0689 -16.0689 -16.0395 -16.0395 -15.9414 -15.9414 -15.9284 -15.9284 -15.7915 -15.7915 -0.3982 -0.3982 -0.3930 -0.3930 1.7038 1.7038 1.7519 1.7519 1.7965 1.7965 2.6552 2.6552 5.5088 5.5088 7.8606 7.8606 7.9920 7.9920 9.6764 9.6764 10.1252 10.1252 10.4693 10.4693 11.1004 11.1004 13.0653 13.0653 13.1378 13.1378 13.1452 13.1452 13.2158 13.2158 14.0709 14.0772 k = 0.4400 0.4400-0.0000 ( 3814 PWs) bands (ev): -37.5014 -37.5014 -37.4925 -37.4925 -37.4865 -37.4865 -16.5452 -16.5452 -16.5282 -16.5282 -16.4957 -16.4957 -16.1027 -16.1027 -16.0698 -16.0698 -16.0383 -16.0383 -15.9425 -15.9425 -15.9273 -15.9273 -15.7923 -15.7923 -0.3984 -0.3984 -0.3930 -0.3930 1.7044 1.7044 1.7515 1.7515 1.7955 1.7955 2.6383 2.6383 5.4893 5.4893 7.8861 7.8861 8.0314 8.0314 9.6853 9.6853 10.1209 10.1209 10.4693 10.4693 11.1017 11.1017 13.0410 13.0410 13.1213 13.1213 13.1447 13.1447 13.2221 13.2221 14.1187 14.1198 k = 0.4300 0.4300-0.0000 ( 3812 PWs) bands (ev): -37.5028 -37.5028 -37.4921 -37.4921 -37.4855 -37.4855 -16.5450 -16.5450 -16.5298 -16.5298 -16.4933 -16.4933 -16.1022 -16.1022 -16.0709 -16.0709 -16.0372 -16.0372 -15.9437 -15.9437 -15.9261 -15.9261 -15.7931 -15.7931 -0.3986 -0.3986 -0.3930 -0.3930 1.7049 1.7049 1.7510 1.7510 1.7943 1.7943 2.6187 2.6187 5.4672 5.4672 7.9141 7.9141 8.0787 8.0787 9.6957 9.6957 10.1149 10.1149 10.4710 10.4710 11.1033 11.1033 13.0131 13.0131 13.0949 13.0949 13.1516 13.1516 13.2296 13.2296 14.1370 14.1371 k = 0.4200 0.4200-0.0000 ( 3812 PWs) bands (ev): -37.5042 -37.5042 -37.4917 -37.4917 -37.4845 -37.4845 -16.5449 -16.5449 -16.5314 -16.5314 -16.4908 -16.4908 -16.1017 -16.1017 -16.0720 -16.0720 -16.0361 -16.0361 -15.9451 -15.9451 -15.9248 -15.9248 -15.7941 -15.7941 -0.3990 -0.3990 -0.3931 -0.3931 1.7055 1.7055 1.7504 1.7504 1.7930 1.7930 2.5962 2.5962 5.4427 5.4427 7.9446 7.9446 8.1335 8.1335 9.7075 9.7075 10.1073 10.1073 10.4751 10.4751 11.1053 11.1053 12.9822 12.9822 13.0653 13.0653 13.1597 13.1597 13.2383 13.2383 14.1569 14.1570 k = 0.4100 0.4100-0.0000 ( 3806 PWs) bands (ev): -37.5057 -37.5057 -37.4913 -37.4913 -37.4835 -37.4835 -16.5447 -16.5447 -16.5331 -16.5331 -16.4881 -16.4881 -16.1012 -16.1012 -16.0731 -16.0731 -16.0349 -16.0349 -15.9465 -15.9465 -15.9235 -15.9235 -15.7951 -15.7951 -0.3994 -0.3994 -0.3932 -0.3932 1.7062 1.7062 1.7498 1.7498 1.7914 1.7914 2.5713 2.5713 5.4164 5.4164 7.9777 7.9777 8.1951 8.1951 9.7209 9.7209 10.0980 10.0980 10.4819 10.4819 11.1078 11.1078 12.9486 12.9486 13.0328 13.0328 13.1688 13.1688 13.2480 13.2480 14.1794 14.1794 k = 0.4000 0.4000-0.0000 ( 3802 PWs) bands (ev): -37.5071 -37.5071 -37.4908 -37.4908 -37.4825 -37.4825 -16.5447 -16.5447 -16.5347 -16.5347 -16.4853 -16.4853 -16.1006 -16.1006 -16.0741 -16.0741 -16.0338 -16.0338 -15.9481 -15.9481 -15.9219 -15.9219 -15.7961 -15.7961 -0.3998 -0.3998 -0.3933 -0.3933 1.7069 1.7069 1.7491 1.7491 1.7898 1.7898 2.5438 2.5438 5.3884 5.3884 8.0135 8.0135 8.2630 8.2630 9.7357 9.7357 10.0872 10.0872 10.4917 10.4917 11.1108 11.1108 12.9126 12.9126 12.9978 12.9978 13.1790 13.1790 13.2588 13.2588 14.2043 14.2043 k = 0.3900 0.3900-0.0000 ( 3808 PWs) bands (ev): -37.5086 -37.5086 -37.4903 -37.4903 -37.4816 -37.4816 -16.5447 -16.5447 -16.5363 -16.5363 -16.4824 -16.4824 -16.0999 -16.0999 -16.0751 -16.0751 -16.0328 -16.0328 -15.9498 -15.9498 -15.9203 -15.9203 -15.7971 -15.7971 -0.4003 -0.4003 -0.3935 -0.3935 1.7076 1.7076 1.7483 1.7483 1.7879 1.7879 2.5141 2.5141 5.3591 5.3591 8.0520 8.0520 8.3364 8.3364 9.7519 9.7519 10.0753 10.0753 10.5046 10.5046 11.1143 11.1143 12.8746 12.8746 12.9606 12.9606 13.1902 13.1902 13.2705 13.2705 14.2317 14.2317 k = 0.3800 0.3800-0.0000 ( 3810 PWs) bands (ev): -37.5101 -37.5101 -37.4897 -37.4897 -37.4807 -37.4807 -16.5449 -16.5449 -16.5377 -16.5377 -16.4795 -16.4795 -16.0992 -16.0992 -16.0761 -16.0761 -16.0319 -16.0319 -15.9517 -15.9517 -15.9185 -15.9185 -15.7981 -15.7981 -0.4009 -0.4009 -0.3937 -0.3937 1.7083 1.7083 1.7474 1.7474 1.7859 1.7859 2.4824 2.4824 5.3287 5.3287 8.0933 8.0933 8.4149 8.4149 9.7694 9.7694 10.0627 10.0627 10.5207 10.5207 11.1184 11.1184 12.8350 12.8350 12.9215 12.9215 13.2023 13.2023 13.2833 13.2833 14.2614 14.2614 k = 0.3700 0.3700-0.0000 ( 3810 PWs) bands (ev): -37.5116 -37.5116 -37.4891 -37.4891 -37.4799 -37.4799 -16.5452 -16.5452 -16.5391 -16.5391 -16.4765 -16.4765 -16.0984 -16.0984 -16.0770 -16.0770 -16.0310 -16.0310 -15.9537 -15.9537 -15.9166 -15.9166 -15.7991 -15.7991 -0.4015 -0.4015 -0.3939 -0.3939 1.7090 1.7090 1.7464 1.7464 1.7837 1.7837 2.4486 2.4486 5.2975 5.2975 8.1375 8.1375 8.4979 8.4979 9.7882 9.7882 10.0500 10.0500 10.5399 10.5399 11.1233 11.1233 12.7940 12.7940 12.8808 12.8808 13.2153 13.2153 13.2969 13.2969 14.2933 14.2933 k = 0.3600 0.3600-0.0000 ( 3798 PWs) bands (ev): -37.5131 -37.5131 -37.4885 -37.4885 -37.4790 -37.4790 -16.5458 -16.5458 -16.5403 -16.5403 -16.4734 -16.4734 -16.0976 -16.0976 -16.0778 -16.0778 -16.0302 -16.0302 -15.9560 -15.9560 -15.9144 -15.9144 -15.7999 -15.7999 -0.4021 -0.4021 -0.3941 -0.3941 1.7097 1.7097 1.7455 1.7455 1.7815 1.7815 2.4132 2.4132 5.2656 5.2656 8.1846 8.1846 8.5849 8.5849 9.8083 9.8083 10.0377 10.0377 10.5620 10.5620 11.1289 11.1289 12.7519 12.7519 12.8387 12.8387 13.2292 13.2292 13.3114 13.3114 14.3267 14.3271 k = 0.3500 0.3500-0.0000 ( 3798 PWs) bands (ev): -37.5146 -37.5146 -37.4878 -37.4878 -37.4782 -37.4782 -16.5466 -16.5466 -16.5413 -16.5413 -16.4703 -16.4703 -16.0967 -16.0967 -16.0785 -16.0785 -16.0295 -16.0295 -15.9584 -15.9584 -15.9120 -15.9120 -15.8007 -15.8007 -0.4028 -0.4028 -0.3945 -0.3945 1.7103 1.7103 1.7444 1.7444 1.7790 1.7790 2.3762 2.3762 5.2331 5.2331 8.2345 8.2345 8.6756 8.6756 9.8294 9.8294 10.0264 10.0264 10.5869 10.5869 11.1352 11.1352 12.7090 12.7090 12.7954 12.7954 13.2439 13.2439 13.3267 13.3267 14.3234 14.3501 k = 0.3400 0.3400-0.0000 ( 3806 PWs) bands (ev): -37.5161 -37.5161 -37.4871 -37.4871 -37.4775 -37.4775 -16.5477 -16.5477 -16.5421 -16.5421 -16.4672 -16.4672 -16.0959 -16.0959 -16.0792 -16.0792 -16.0289 -16.0289 -15.9610 -15.9610 -15.9095 -15.9095 -15.8015 -15.8015 -0.4035 -0.4035 -0.3949 -0.3949 1.7108 1.7108 1.7432 1.7432 1.7765 1.7765 2.3379 2.3379 5.2002 5.2002 8.2871 8.2871 8.7694 8.7694 9.8514 9.8514 10.0166 10.0166 10.6142 10.6142 11.1423 11.1423 12.6654 12.6654 12.7512 12.7512 13.2593 13.2593 13.3427 13.3427 14.3080 14.3112 k = 0.3300 0.3300-0.0000 ( 3804 PWs) bands (ev): -37.5176 -37.5176 -37.4863 -37.4863 -37.4767 -37.4767 -16.5490 -16.5490 -16.5428 -16.5428 -16.4641 -16.4641 -16.0949 -16.0949 -16.0798 -16.0798 -16.0284 -16.0284 -15.9638 -15.9638 -15.9067 -15.9067 -15.8021 -15.8021 -0.4043 -0.4043 -0.3953 -0.3953 1.7112 1.7112 1.7420 1.7420 1.7738 1.7738 2.2983 2.2983 5.1671 5.1671 8.3424 8.3424 8.8660 8.8660 9.8742 9.8742 10.0089 10.0089 10.6440 10.6440 11.1503 11.1503 12.6215 12.6215 12.7063 12.7063 13.2754 13.2754 13.3595 13.3595 14.2845 14.2846 k = 0.3200 0.3200-0.0000 ( 3804 PWs) bands (ev): -37.5191 -37.5191 -37.4855 -37.4855 -37.4760 -37.4760 -16.5504 -16.5504 -16.5435 -16.5435 -16.4610 -16.4610 -16.0940 -16.0940 -16.0803 -16.0803 -16.0280 -16.0280 -15.9667 -15.9667 -15.9037 -15.9037 -15.8025 -15.8025 -0.4051 -0.4051 -0.3959 -0.3959 1.7116 1.7116 1.7407 1.7407 1.7710 1.7710 2.2579 2.2579 5.1338 5.1338 8.4003 8.4003 8.9650 8.9650 9.8975 9.8975 10.0041 10.0041 10.6759 10.6759 11.1592 11.1592 12.5774 12.5774 12.6608 12.6608 13.2921 13.2921 13.3768 13.3768 14.2494 14.2494 k = 0.3100 0.3100-0.0000 ( 3808 PWs) bands (ev): -37.5206 -37.5206 -37.4848 -37.4848 -37.4753 -37.4753 -16.5520 -16.5520 -16.5442 -16.5442 -16.4580 -16.4580 -16.0930 -16.0930 -16.0808 -16.0808 -16.0277 -16.0277 -15.9697 -15.9697 -15.9005 -15.9005 -15.8029 -15.8029 -0.4060 -0.4060 -0.3965 -0.3965 1.7118 1.7118 1.7393 1.7393 1.7682 1.7682 2.2167 2.2167 5.1004 5.1004 8.4607 8.4607 9.0658 9.0658 9.9207 9.9207 10.0030 10.0030 10.7099 10.7099 11.1691 11.1691 12.5332 12.5332 12.6150 12.6150 13.3092 13.3092 13.3949 13.3949 14.2043 14.2043 k = 0.3000 0.3000-0.0000 ( 3804 PWs) bands (ev): -37.5221 -37.5221 -37.4839 -37.4839 -37.4747 -37.4747 -16.5535 -16.5535 -16.5449 -16.5449 -16.4550 -16.4550 -16.0920 -16.0920 -16.0811 -16.0811 -16.0275 -16.0275 -15.9729 -15.9729 -15.8971 -15.8971 -15.8031 -15.8031 -0.4068 -0.4068 -0.3971 -0.3971 1.7119 1.7119 1.7379 1.7379 1.7653 1.7653 2.1749 2.1749 5.0670 5.0670 8.5235 8.5235 9.1680 9.1680 9.9430 9.9430 10.0070 10.0070 10.7458 10.7458 11.1801 11.1801 12.4892 12.4892 12.5690 12.5690 13.3266 13.3266 13.4135 13.4135 14.1518 14.1518 k = 0.2900 0.2900-0.0000 ( 3814 PWs) bands (ev): -37.5236 -37.5236 -37.4831 -37.4831 -37.4741 -37.4741 -16.5550 -16.5550 -16.5457 -16.5457 -16.4521 -16.4521 -16.0911 -16.0911 -16.0814 -16.0814 -16.0274 -16.0274 -15.9761 -15.9761 -15.8935 -15.8935 -15.8033 -15.8033 -0.4077 -0.4077 -0.3979 -0.3979 1.7118 1.7118 1.7364 1.7364 1.7622 1.7622 2.1329 2.1329 5.0336 5.0336 8.5886 8.5886 9.2707 9.2707 9.9630 9.9630 10.0177 10.0177 10.7834 10.7834 11.1921 11.1921 12.4455 12.4455 12.5229 12.5229 13.3442 13.3442 13.4328 13.4328 14.0943 14.0943 k = 0.2800 0.2800-0.0000 ( 3818 PWs) bands (ev): -37.5251 -37.5251 -37.4823 -37.4823 -37.4735 -37.4735 -16.5565 -16.5565 -16.5467 -16.5467 -16.4493 -16.4493 -16.0901 -16.0901 -16.0816 -16.0816 -16.0275 -16.0275 -15.9794 -15.9794 -15.8897 -15.8897 -15.8033 -15.8033 -0.4087 -0.4087 -0.3987 -0.3987 1.7115 1.7115 1.7348 1.7348 1.7592 1.7592 2.0907 2.0907 5.0004 5.0004 8.6559 8.6559 9.3734 9.3734 9.9805 9.9805 10.0359 10.0359 10.8225 10.8225 11.2052 11.2052 12.4021 12.4021 12.4769 12.4769 13.3616 13.3616 13.4526 13.4526 14.0338 14.0338 k = 0.2700 0.2700-0.0000 ( 3806 PWs) bands (ev): -37.5265 -37.5265 -37.4814 -37.4814 -37.4729 -37.4729 -16.5580 -16.5580 -16.5476 -16.5476 -16.4466 -16.4466 -16.0892 -16.0892 -16.0817 -16.0817 -16.0275 -16.0275 -15.9826 -15.9826 -15.8857 -15.8857 -15.8031 -15.8031 -0.4096 -0.4096 -0.3995 -0.3995 1.7109 1.7109 1.7332 1.7332 1.7562 1.7562 2.0487 2.0487 4.9675 4.9675 8.7253 8.7253 9.4747 9.4747 9.9982 9.9982 10.0602 10.0602 10.8631 10.8631 11.2196 11.2196 12.3593 12.3593 12.4312 12.4312 13.3788 13.3788 13.4732 13.4732 13.9720 13.9720 k = 0.2600 0.2600-0.0000 ( 3804 PWs) bands (ev): -37.5280 -37.5280 -37.4805 -37.4805 -37.4723 -37.4723 -16.5595 -16.5595 -16.5488 -16.5488 -16.4440 -16.4440 -16.0883 -16.0883 -16.0817 -16.0817 -16.0278 -16.0278 -15.9858 -15.9858 -15.8815 -15.8815 -15.8029 -15.8029 -0.4105 -0.4105 -0.4005 -0.4005 1.7100 1.7100 1.7314 1.7314 1.7531 1.7531 2.0070 2.0070 4.9347 4.9347 8.7965 8.7965 9.5729 9.5729 10.0188 10.0188 10.0890 10.0890 10.9047 10.9047 11.2353 11.2353 12.3170 12.3170 12.3858 12.3858 13.3954 13.3954 13.4944 13.4944 13.9102 13.9102 k = 0.2500 0.2500-0.0000 ( 3800 PWs) bands (ev): -37.5294 -37.5294 -37.4797 -37.4797 -37.4718 -37.4718 -16.5609 -16.5609 -16.5500 -16.5500 -16.4415 -16.4415 -16.0875 -16.0875 -16.0817 -16.0817 -16.0281 -16.0281 -15.9889 -15.9889 -15.8772 -15.8772 -15.8026 -15.8026 -0.4114 -0.4114 -0.4015 -0.4015 1.7087 1.7087 1.7295 1.7295 1.7501 1.7501 1.9660 1.9660 4.9024 4.9024 8.8695 8.8695 9.6654 9.6654 10.0446 10.0446 10.1222 10.1222 10.9474 10.9474 11.2522 11.2522 12.2754 12.2754 12.3408 12.3408 13.4109 13.4109 13.5163 13.5163 13.8500 13.8500 k = 0.2400 0.2400-0.0000 ( 3802 PWs) bands (ev): -37.5308 -37.5308 -37.4788 -37.4788 -37.4713 -37.4713 -16.5624 -16.5624 -16.5513 -16.5513 -16.4391 -16.4391 -16.0868 -16.0868 -16.0815 -16.0815 -16.0286 -16.0286 -15.9918 -15.9918 -15.8727 -15.8727 -15.8022 -15.8022 -0.4124 -0.4124 -0.4026 -0.4026 1.7066 1.7066 1.7274 1.7274 1.7471 1.7471 1.9261 1.9261 4.8704 4.8704 8.9440 8.9440 9.7490 9.7490 10.0763 10.0763 10.1616 10.1616 10.9908 10.9908 11.2703 11.2703 12.2346 12.2346 12.2965 12.2965 13.4247 13.4247 13.5389 13.5389 13.7925 13.7925 k = 0.2300 0.2300-0.0000 ( 3806 PWs) bands (ev): -37.5321 -37.5321 -37.4780 -37.4780 -37.4708 -37.4708 -16.5638 -16.5638 -16.5526 -16.5526 -16.4369 -16.4369 -16.0862 -16.0862 -16.0813 -16.0813 -16.0292 -16.0292 -15.9946 -15.9946 -15.8682 -15.8682 -15.8018 -15.8018 -0.4134 -0.4134 -0.4038 -0.4038 1.7036 1.7036 1.7250 1.7250 1.7442 1.7442 1.8876 1.8876 4.8390 4.8390 9.0200 9.0200 9.8208 9.8208 10.1122 10.1122 10.2117 10.2117 11.0347 11.0347 11.2897 11.2897 12.1945 12.1945 12.2528 12.2528 13.4359 13.4359 13.5620 13.5620 13.7397 13.7397 k = 0.2200 0.2200-0.0000 ( 3804 PWs) bands (ev): -37.5335 -37.5335 -37.4771 -37.4771 -37.4704 -37.4704 -16.5652 -16.5652 -16.5541 -16.5541 -16.4348 -16.4348 -16.0857 -16.0857 -16.0811 -16.0811 -16.0300 -16.0300 -15.9971 -15.9971 -15.8635 -15.8635 -15.8013 -15.8013 -0.4144 -0.4144 -0.4051 -0.4051 1.6990 1.6990 1.7226 1.7226 1.7415 1.7415 1.8514 1.8514 4.8081 4.8081 9.0972 9.0972 9.8798 9.8798 10.1480 10.1480 10.2767 10.2767 11.0789 11.0789 11.3104 11.3104 12.1552 12.1552 12.2101 12.2101 13.4431 13.4431 13.5852 13.5852 13.6943 13.6943 k = 0.2100 0.2100-0.0000 ( 3816 PWs) bands (ev): -37.5347 -37.5347 -37.4763 -37.4763 -37.4700 -37.4700 -16.5665 -16.5665 -16.5557 -16.5557 -16.4328 -16.4328 -16.0853 -16.0853 -16.0808 -16.0808 -16.0309 -16.0309 -15.9993 -15.9993 -15.8587 -15.8587 -15.8008 -15.8008 -0.4153 -0.4153 -0.4064 -0.4064 1.6916 1.6916 1.7201 1.7201 1.7389 1.7389 1.8185 1.8185 4.7778 4.7778 9.1755 9.1755 9.9282 9.9282 10.1814 10.1814 10.3564 10.3564 11.1231 11.1231 11.3321 11.3321 12.1166 12.1166 12.1684 12.1684 13.4436 13.4436 13.6060 13.6060 13.6620 13.6620 k = 0.2000 0.2000-0.0000 ( 3816 PWs) bands (ev): -37.5360 -37.5360 -37.4754 -37.4754 -37.4696 -37.4696 -16.5678 -16.5678 -16.5573 -16.5573 -16.4310 -16.4310 -16.0850 -16.0850 -16.0804 -16.0804 -16.0321 -16.0321 -16.0012 -16.0012 -15.8539 -15.8539 -15.8002 -15.8002 -0.4163 -0.4163 -0.4077 -0.4077 1.6799 1.6799 1.7177 1.7177 1.7365 1.7365 1.7908 1.7908 4.7484 4.7484 9.2547 9.2547 9.9694 9.9694 10.2121 10.2121 10.4467 10.4467 11.1671 11.1671 11.3549 11.3549 12.0788 12.0788 12.1281 12.1281 13.4349 13.4349 13.6132 13.6132 13.6571 13.6571 k = 0.1900 0.1900-0.0000 ( 3816 PWs) bands (ev): -37.5372 -37.5372 -37.4746 -37.4746 -37.4692 -37.4692 -16.5691 -16.5691 -16.5589 -16.5589 -16.4294 -16.4294 -16.0847 -16.0847 -16.0801 -16.0801 -16.0333 -16.0333 -16.0027 -16.0027 -15.8491 -15.8491 -15.7996 -15.7996 -0.4172 -0.4172 -0.4091 -0.4091 1.6624 1.6624 1.7154 1.7154 1.7340 1.7340 1.7698 1.7698 4.7197 4.7197 9.3344 9.3344 10.0065 10.0065 10.2407 10.2407 10.5434 10.5434 11.2107 11.2107 11.3785 11.3785 12.0418 12.0418 12.0893 12.0893 13.4166 13.4166 13.6103 13.6103 13.6773 13.6773 k = 0.1800 0.1800-0.0000 ( 3816 PWs) bands (ev): -37.5384 -37.5384 -37.4738 -37.4738 -37.4688 -37.4688 -16.5703 -16.5703 -16.5606 -16.5606 -16.4278 -16.4278 -16.0845 -16.0845 -16.0799 -16.0799 -16.0347 -16.0347 -16.0039 -16.0039 -15.8443 -15.8443 -15.7989 -15.7989 -0.4181 -0.4181 -0.4105 -0.4105 1.6395 1.6395 1.7134 1.7134 1.7315 1.7315 1.7554 1.7554 4.6920 4.6920 9.4146 9.4146 10.0414 10.0414 10.2677 10.2677 10.6429 10.6429 11.2536 11.2536 11.4028 11.4028 12.0053 12.0053 12.0523 12.0523 13.3920 13.3920 13.6133 13.6133 13.7043 13.7043 k = 0.1700 0.1700-0.0000 ( 3820 PWs) bands (ev): -37.5395 -37.5395 -37.4730 -37.4730 -37.4685 -37.4685 -16.5715 -16.5715 -16.5623 -16.5623 -16.4264 -16.4264 -16.0844 -16.0844 -16.0797 -16.0797 -16.0361 -16.0361 -16.0048 -16.0048 -15.8396 -15.8396 -15.7983 -15.7983 -0.4190 -0.4190 -0.4119 -0.4119 1.6129 1.6129 1.7115 1.7115 1.7286 1.7286 1.7464 1.7464 4.6652 4.6652 9.4948 9.4948 10.0753 10.0753 10.2934 10.2934 10.7429 10.7429 11.2955 11.2955 11.4274 11.4274 11.9693 11.9693 12.0172 12.0172 13.3655 13.3655 13.6229 13.6229 13.7337 13.7337 k = 0.1600 0.1600-0.0000 ( 3826 PWs) bands (ev): -37.5406 -37.5406 -37.4723 -37.4723 -37.4682 -37.4682 -16.5726 -16.5726 -16.5640 -16.5640 -16.4251 -16.4251 -16.0843 -16.0843 -16.0797 -16.0797 -16.0376 -16.0376 -16.0054 -16.0054 -15.8349 -15.8349 -15.7976 -15.7976 -0.4199 -0.4199 -0.4133 -0.4133 1.5845 1.5845 1.7097 1.7097 1.7253 1.7253 1.7407 1.7407 4.6395 4.6395 9.5749 9.5749 10.1088 10.1088 10.3177 10.3177 10.8416 10.8416 11.3360 11.3360 11.4521 11.4521 11.9339 11.9339 11.9843 11.9843 13.3403 13.3403 13.6375 13.6375 13.7649 13.7649 k = 0.1500 0.1500-0.0000 ( 3818 PWs) bands (ev): -37.5416 -37.5416 -37.4716 -37.4716 -37.4679 -37.4679 -16.5737 -16.5737 -16.5657 -16.5657 -16.4240 -16.4240 -16.0842 -16.0842 -16.0797 -16.0797 -16.0390 -16.0390 -16.0058 -16.0058 -15.8303 -15.8303 -15.7970 -15.7970 -0.4207 -0.4207 -0.4147 -0.4147 1.5558 1.5558 1.7080 1.7080 1.7219 1.7219 1.7373 1.7373 4.6149 4.6149 9.6545 9.6545 10.1422 10.1422 10.3409 10.3409 10.9378 10.9378 11.3750 11.3750 11.4764 11.4764 11.8992 11.8992 11.9535 11.9535 13.3186 13.3186 13.6564 13.6564 13.7976 13.7976 k = 0.1400 0.1400-0.0000 ( 3829 PWs) bands (ev): -37.5426 -37.5426 -37.4709 -37.4709 -37.4676 -37.4676 -16.5747 -16.5747 -16.5675 -16.5675 -16.4229 -16.4229 -16.0842 -16.0842 -16.0798 -16.0798 -16.0405 -16.0405 -16.0060 -16.0060 -15.8259 -15.8259 -15.7964 -15.7964 -0.4216 -0.4216 -0.4161 -0.4161 1.5277 1.5277 1.7063 1.7063 1.7184 1.7184 1.7349 1.7349 4.5915 4.5915 9.7331 9.7331 10.1754 10.1754 10.3628 10.3628 11.0300 11.0300 11.4119 11.4119 11.5002 11.5002 11.8655 11.8655 11.9248 11.9248 13.3014 13.3014 13.6793 13.6793 13.8320 13.8320 k = 0.1300 0.1300-0.0000 ( 3827 PWs) bands (ev): -37.5435 -37.5435 -37.4702 -37.4702 -37.4674 -37.4674 -16.5756 -16.5756 -16.5692 -16.5692 -16.4220 -16.4220 -16.0841 -16.0841 -16.0799 -16.0799 -16.0418 -16.0418 -16.0060 -16.0060 -15.8216 -15.8216 -15.7957 -15.7957 -0.4223 -0.4223 -0.4174 -0.4174 1.5005 1.5005 1.7048 1.7048 1.7152 1.7152 1.7332 1.7332 4.5694 4.5694 9.8104 9.8104 10.2087 10.2087 10.3836 10.3836 11.1171 11.1171 11.4461 11.4461 11.5233 11.5233 11.8330 11.8330 11.8983 11.8983 13.2896 13.2896 13.7065 13.7065 13.8680 13.8680 k = 0.1200 0.1200-0.0000 ( 3829 PWs) bands (ev): -37.5444 -37.5444 -37.4696 -37.4696 -37.4672 -37.4672 -16.5765 -16.5765 -16.5708 -16.5708 -16.4212 -16.4212 -16.0841 -16.0841 -16.0802 -16.0802 -16.0430 -16.0430 -16.0060 -16.0060 -15.8175 -15.8175 -15.7951 -15.7951 -0.4230 -0.4230 -0.4188 -0.4188 1.4748 1.4748 1.7033 1.7033 1.7121 1.7121 1.7319 1.7319 4.5487 4.5487 9.8859 9.8859 10.2417 10.2417 10.4033 10.4033 11.1980 11.1980 11.4766 11.4766 11.5460 11.5460 11.8022 11.8022 11.8737 11.8737 13.2833 13.2833 13.7384 13.7384 13.9058 13.9058 k = 0.1100 0.1100-0.0000 ( 3827 PWs) bands (ev): -37.5452 -37.5452 -37.4690 -37.4690 -37.4669 -37.4669 -16.5773 -16.5773 -16.5724 -16.5724 -16.4204 -16.4204 -16.0841 -16.0841 -16.0806 -16.0806 -16.0440 -16.0440 -16.0058 -16.0058 -15.8137 -15.8137 -15.7945 -15.7945 -0.4237 -0.4237 -0.4200 -0.4200 1.4506 1.4506 1.7019 1.7019 1.7093 1.7093 1.7308 1.7308 4.5294 4.5294 9.9591 9.9591 10.2744 10.2744 10.4219 10.4219 11.2718 11.2718 11.5023 11.5023 11.5685 11.5685 11.7736 11.7736 11.8513 11.8513 13.2827 13.2827 13.7755 13.7755 13.9456 13.9456 k = 0.1000 0.1000-0.0000 ( 3827 PWs) bands (ev): -37.5459 -37.5459 -37.4685 -37.4685 -37.4668 -37.4668 -16.5781 -16.5781 -16.5739 -16.5739 -16.4198 -16.4198 -16.0841 -16.0841 -16.0810 -16.0810 -16.0450 -16.0450 -16.0056 -16.0056 -15.8100 -15.8100 -15.7940 -15.7940 -0.4243 -0.4243 -0.4212 -0.4212 1.4281 1.4281 1.7006 1.7006 1.7067 1.7067 1.7299 1.7299 4.5116 4.5116 10.0291 10.0291 10.3067 10.3067 10.4395 10.4395 11.3376 11.3376 11.5223 11.5223 11.5912 11.5912 11.7477 11.7477 11.8308 11.8308 13.2873 13.2873 13.8184 13.8184 13.9875 13.9875 k = 0.0900 0.0900-0.0000 ( 3827 PWs) bands (ev): -37.5466 -37.5466 -37.4680 -37.4680 -37.4666 -37.4666 -16.5788 -16.5788 -16.5753 -16.5753 -16.4192 -16.4192 -16.0841 -16.0841 -16.0814 -16.0814 -16.0458 -16.0458 -16.0053 -16.0053 -15.8066 -15.8066 -15.7935 -15.7935 -0.4249 -0.4249 -0.4223 -0.4223 1.4075 1.4075 1.6994 1.6994 1.7043 1.7043 1.7292 1.7292 4.4953 4.4953 10.0950 10.0950 10.3383 10.3383 10.4561 10.4561 11.3943 11.3943 11.5362 11.5362 11.6136 11.6136 11.7259 11.7259 11.8123 11.8123 13.2966 13.2966 13.8673 13.8673 14.0316 14.0316 k = 0.0800 0.0800-0.0000 ( 3823 PWs) bands (ev): -37.5472 -37.5472 -37.4676 -37.4676 -37.4664 -37.4664 -16.5794 -16.5794 -16.5766 -16.5766 -16.4187 -16.4187 -16.0841 -16.0841 -16.0819 -16.0819 -16.0465 -16.0465 -16.0051 -16.0051 -15.8035 -15.8035 -15.7930 -15.7930 -0.4255 -0.4255 -0.4233 -0.4233 1.3889 1.3889 1.6983 1.6983 1.7022 1.7022 1.7285 1.7285 4.4806 4.4806 10.1560 10.1560 10.3694 10.3694 10.4718 10.4718 11.4409 11.4409 11.5445 11.5445 11.6346 11.6346 11.7096 11.7096 11.7958 11.7958 13.3095 13.3095 13.9225 13.9225 14.0779 14.0779 k = 0.0700 0.0700-0.0000 ( 3827 PWs) bands (ev): -37.5478 -37.5478 -37.4672 -37.4672 -37.4663 -37.4663 -16.5800 -16.5800 -16.5777 -16.5777 -16.4182 -16.4182 -16.0841 -16.0841 -16.0823 -16.0823 -16.0471 -16.0471 -16.0048 -16.0048 -15.8007 -15.8007 -15.7926 -15.7926 -0.4259 -0.4259 -0.4243 -0.4243 1.3723 1.3723 1.6973 1.6973 1.7003 1.7003 1.7279 1.7279 4.4675 4.4675 10.2106 10.2106 10.3999 10.3999 10.4866 10.4866 11.4763 11.4763 11.5478 11.5478 11.6528 11.6528 11.7009 11.7009 11.7814 11.7814 13.3250 13.3250 13.9836 13.9836 14.1262 14.1262 k = 0.0600 0.0600-0.0000 ( 3831 PWs) bands (ev): -37.5482 -37.5482 -37.4668 -37.4668 -37.4662 -37.4662 -16.5805 -16.5805 -16.5788 -16.5788 -16.4179 -16.4179 -16.0841 -16.0841 -16.0828 -16.0828 -16.0475 -16.0475 -16.0046 -16.0046 -15.7982 -15.7982 -15.7923 -15.7923 -0.4264 -0.4264 -0.4251 -0.4251 1.3578 1.3578 1.6964 1.6964 1.6986 1.6986 1.7274 1.7274 4.4560 4.4560 10.2577 10.2577 10.4300 10.4300 10.5004 10.5004 11.5000 11.5000 11.5465 11.5465 11.6677 11.6677 11.7010 11.7010 11.7690 11.7690 13.3419 13.3419 14.0496 14.0496 14.1761 14.1761 k = 0.0500 0.0500-0.0000 ( 3831 PWs) bands (ev): -37.5486 -37.5486 -37.4665 -37.4665 -37.4661 -37.4661 -16.5809 -16.5809 -16.5797 -16.5797 -16.4176 -16.4176 -16.0841 -16.0841 -16.0832 -16.0832 -16.0479 -16.0479 -16.0043 -16.0043 -15.7961 -15.7961 -15.7920 -15.7920 -0.4267 -0.4267 -0.4258 -0.4258 1.3454 1.3454 1.6957 1.6957 1.6972 1.6972 1.7270 1.7270 4.4463 4.4463 10.2964 10.2964 10.4593 10.4593 10.5131 10.5131 11.5130 11.5130 11.5417 11.5417 11.6811 11.6811 11.7072 11.7072 11.7588 11.7588 13.3589 13.3589 14.1191 14.1191 14.2266 14.2266 k = 0.0400 0.0400-0.0000 ( 3827 PWs) bands (ev): -37.5490 -37.5490 -37.4663 -37.4663 -37.4660 -37.4660 -16.5812 -16.5812 -16.5804 -16.5804 -16.4174 -16.4174 -16.0841 -16.0841 -16.0835 -16.0835 -16.0482 -16.0482 -16.0041 -16.0041 -15.7944 -15.7944 -15.7917 -15.7917 -0.4270 -0.4270 -0.4264 -0.4264 1.3352 1.3352 1.6951 1.6951 1.6960 1.6960 1.7267 1.7267 4.4383 4.4383 10.3264 10.3264 10.4869 10.4869 10.5243 10.5243 11.5184 11.5184 11.5349 11.5349 11.6942 11.6942 11.7149 11.7149 11.7511 11.7511 13.3748 13.3748 14.1897 14.1897 14.2756 14.2756 k = 0.0300 0.0300-0.0000 ( 3831 PWs) bands (ev): -37.5492 -37.5492 -37.4661 -37.4661 -37.4659 -37.4659 -16.5815 -16.5815 -16.5811 -16.5811 -16.4172 -16.4172 -16.0841 -16.0841 -16.0838 -16.0838 -16.0485 -16.0485 -16.0039 -16.0039 -15.7930 -15.7930 -15.7915 -15.7915 -0.4272 -0.4272 -0.4269 -0.4269 1.3273 1.3273 1.6946 1.6946 1.6951 1.6951 1.7264 1.7264 4.4321 4.4321 10.3482 10.3482 10.5112 10.5112 10.5336 10.5336 11.5192 11.5192 11.5278 11.5278 11.7062 11.7062 11.7207 11.7207 11.7463 11.7463 13.3884 13.3884 14.2581 14.2581 14.3186 14.3186 k = 0.0200 0.0200-0.0000 ( 3831 PWs) bands (ev): -37.5494 -37.5494 -37.4660 -37.4660 -37.4659 -37.4659 -16.5817 -16.5817 -16.5815 -16.5815 -16.4171 -16.4171 -16.0842 -16.0842 -16.0840 -16.0840 -16.0486 -16.0486 -16.0038 -16.0038 -15.7920 -15.7920 -15.7914 -15.7914 -0.4274 -0.4274 -0.4273 -0.4273 1.3216 1.3216 1.6942 1.6942 1.6945 1.6945 1.7263 1.7263 4.4276 4.4276 10.3629 10.3629 10.5302 10.5302 10.5407 10.5407 11.5182 11.5182 11.5218 11.5218 11.7157 11.7157 11.7234 11.7234 11.7446 11.7446 13.3989 13.3989 14.3197 14.3197 14.3498 14.3498 k = 0.0100 0.0100-0.0000 ( 3823 PWs) bands (ev): -37.5495 -37.5495 -37.4659 -37.4659 -37.4659 -37.4659 -16.5818 -16.5818 -16.5817 -16.5817 -16.4170 -16.4170 -16.0841 -16.0841 -16.0841 -16.0841 -16.0487 -16.0487 -16.0037 -16.0037 -15.7914 -15.7914 -15.7913 -15.7913 -0.4274 -0.4274 -0.4274 -0.4274 1.3182 1.3182 1.6940 1.6940 1.6941 1.6941 1.7262 1.7262 4.4249 4.4249 10.3714 10.3714 10.5424 10.5424 10.5451 10.5451 11.5170 11.5170 11.5178 11.5178 11.7218 11.7218 11.7239 11.7239 11.7450 11.7450 13.4056 13.4056 14.3614 14.3615 14.3662 14.3663 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -37.5495 -37.5495 -37.4659 -37.4659 -37.4659 -37.4659 -16.5817 -16.5817 -16.5817 -16.5817 -16.4169 -16.4169 -16.0841 -16.0841 -16.0841 -16.0841 -16.0487 -16.0487 -16.0036 -16.0036 -15.7912 -15.7912 -15.7912 -15.7912 -0.4274 -0.4274 -0.4274 -0.4274 1.3171 1.3171 1.6940 1.6940 1.6940 1.6940 1.7262 1.7262 4.4241 4.4241 10.3742 10.3742 10.5467 10.5467 10.5467 10.5467 11.5166 11.5166 11.5166 11.5166 11.7240 11.7240 11.7240 11.7240 11.7454 11.7454 13.4078 13.4078 14.3709 14.3709 14.3709 14.3709 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -37.5495 -37.5495 -37.4659 -37.4659 -37.4659 -37.4659 -16.5817 -16.5817 -16.5817 -16.5817 -16.4169 -16.4169 -16.0841 -16.0841 -16.0841 -16.0841 -16.0487 -16.0487 -16.0036 -16.0036 -15.7912 -15.7912 -15.7912 -15.7912 -0.4274 -0.4274 -0.4274 -0.4274 1.3171 1.3171 1.6940 1.6940 1.6940 1.6940 1.7262 1.7262 4.4241 4.4241 10.3742 10.3742 10.5467 10.5467 10.5467 10.5467 11.5166 11.5166 11.5166 11.5166 11.7240 11.7240 11.7240 11.7240 11.7454 11.7454 13.4078 13.4078 14.3709 14.3709 14.3709 14.3709 k = 0.0082 0.0082 0.0082 ( 3821 PWs) bands (ev): -37.5495 -37.5495 -37.4659 -37.4659 -37.4659 -37.4659 -16.5818 -16.5818 -16.5817 -16.5817 -16.4170 -16.4170 -16.0841 -16.0841 -16.0841 -16.0841 -16.0487 -16.0487 -16.0037 -16.0037 -15.7914 -15.7914 -15.7912 -15.7912 -0.4274 -0.4274 -0.4274 -0.4274 1.3182 1.3182 1.6941 1.6941 1.6941 1.6941 1.7262 1.7262 4.4249 4.4249 10.3714 10.3714 10.5427 10.5427 10.5448 10.5448 11.5170 11.5170 11.5179 11.5179 11.7217 11.7217 11.7240 11.7240 11.7450 11.7450 13.4055 13.4055 14.3629 14.3630 14.3643 14.3643 k = 0.0164 0.0164 0.0164 ( 3833 PWs) bands (ev): -37.5494 -37.5494 -37.4659 -37.4659 -37.4659 -37.4659 -16.5817 -16.5817 -16.5815 -16.5815 -16.4171 -16.4171 -16.0842 -16.0842 -16.0840 -16.0840 -16.0486 -16.0486 -16.0038 -16.0038 -15.7921 -15.7921 -15.7913 -15.7913 -0.4274 -0.4274 -0.4273 -0.4273 1.3216 1.3216 1.6943 1.6943 1.6944 1.6944 1.7263 1.7263 4.4276 4.4276 10.3630 10.3630 10.5311 10.5311 10.5395 10.5395 11.5182 11.5182 11.5218 11.5218 11.7146 11.7146 11.7245 11.7245 11.7446 11.7446 13.3989 13.3989 14.3197 14.3197 14.3451 14.3451 k = 0.0246 0.0246 0.0246 ( 3839 PWs) bands (ev): -37.5492 -37.5492 -37.4660 -37.4660 -37.4660 -37.4660 -16.5814 -16.5814 -16.5811 -16.5811 -16.4172 -16.4172 -16.0842 -16.0842 -16.0838 -16.0838 -16.0485 -16.0485 -16.0040 -16.0040 -15.7931 -15.7931 -15.7914 -15.7914 -0.4272 -0.4272 -0.4269 -0.4269 1.3274 1.3274 1.6946 1.6946 1.6950 1.6950 1.7264 1.7264 4.4321 4.4321 10.3489 10.3489 10.5121 10.5121 10.5313 10.5313 11.5192 11.5192 11.5278 11.5278 11.7021 11.7021 11.7256 11.7256 11.7454 11.7454 13.3887 13.3887 14.2551 14.2551 14.3152 14.3152 k = 0.0328 0.0328 0.0328 ( 3833 PWs) bands (ev): -37.5490 -37.5490 -37.4662 -37.4662 -37.4662 -37.4662 -16.5811 -16.5811 -16.5806 -16.5806 -16.4174 -16.4174 -16.0842 -16.0842 -16.0835 -16.0835 -16.0482 -16.0482 -16.0041 -16.0041 -15.7945 -15.7945 -15.7916 -15.7916 -0.4270 -0.4270 -0.4264 -0.4264 1.3354 1.3354 1.6952 1.6952 1.6959 1.6959 1.7267 1.7267 4.4384 4.4384 10.3287 10.3287 10.4863 10.4863 10.5210 10.5210 11.5185 11.5185 11.5349 11.5349 11.6841 11.6841 11.7278 11.7278 11.7481 11.7481 13.3756 13.3756 14.1842 14.1842 14.2779 14.2779 k = 0.0410 0.0410 0.0410 ( 3833 PWs) bands (ev): -37.5486 -37.5486 -37.4663 -37.4663 -37.4663 -37.4663 -16.5807 -16.5807 -16.5799 -16.5799 -16.4176 -16.4176 -16.0842 -16.0842 -16.0831 -16.0831 -16.0480 -16.0480 -16.0043 -16.0043 -15.7964 -15.7964 -15.7918 -15.7918 -0.4267 -0.4267 -0.4259 -0.4259 1.3456 1.3456 1.6959 1.6959 1.6970 1.6970 1.7270 1.7270 4.4465 4.4465 10.3025 10.3025 10.4543 10.4543 10.5093 10.5093 11.5137 11.5137 11.5420 11.5420 11.6615 11.6615 11.7317 11.7317 11.7534 11.7534 13.3609 13.3609 14.1121 14.1121 14.2366 14.2366 k = 0.0492 0.0492 0.0492 ( 3827 PWs) bands (ev): -37.5482 -37.5482 -37.4665 -37.4665 -37.4665 -37.4665 -16.5802 -16.5802 -16.5790 -16.5790 -16.4179 -16.4179 -16.0842 -16.0842 -16.0826 -16.0826 -16.0476 -16.0476 -16.0045 -16.0045 -15.7986 -15.7986 -15.7920 -15.7920 -0.4263 -0.4263 -0.4251 -0.4251 1.3581 1.3581 1.6968 1.6968 1.6983 1.6983 1.7275 1.7275 4.4564 4.4564 10.2704 10.2704 10.4169 10.4169 10.4966 10.4966 11.5021 11.5021 11.5476 11.5476 11.6357 11.6357 11.7380 11.7380 11.7617 11.7617 13.3456 13.3456 14.0419 14.0419 14.1938 14.1938 k = 0.0574 0.0574 0.0574 ( 3827 PWs) bands (ev): -37.5477 -37.5477 -37.4667 -37.4667 -37.4667 -37.4667 -16.5796 -16.5796 -16.5781 -16.5781 -16.4183 -16.4183 -16.0843 -16.0843 -16.0820 -16.0820 -16.0472 -16.0472 -16.0048 -16.0048 -15.8011 -15.8011 -15.7922 -15.7922 -0.4258 -0.4258 -0.4243 -0.4243 1.3728 1.3728 1.6978 1.6978 1.6999 1.6999 1.7280 1.7280 4.4680 4.4680 10.2329 10.2329 10.3746 10.3746 10.4833 10.4833 11.4804 11.4804 11.5506 11.5506 11.6087 11.6087 11.7474 11.7474 11.7737 11.7737 13.3308 13.3308 13.9759 13.9759 14.1516 14.1516 k = 0.0656 0.0656 0.0656 ( 3830 PWs) bands (ev): -37.5472 -37.5472 -37.4670 -37.4670 -37.4670 -37.4670 -16.5790 -16.5790 -16.5770 -16.5770 -16.4187 -16.4187 -16.0845 -16.0845 -16.0813 -16.0813 -16.0467 -16.0467 -16.0050 -16.0050 -15.8040 -15.8040 -15.7925 -15.7925 -0.4253 -0.4253 -0.4234 -0.4234 1.3896 1.3896 1.6990 1.6990 1.7016 1.7016 1.7286 1.7286 4.4813 4.4813 10.1906 10.1906 10.3282 10.3282 10.4693 10.4693 11.4464 11.4464 11.5498 11.5498 11.5820 11.5820 11.7604 11.7604 11.7892 11.7892 13.3174 13.3174 13.9155 13.9155 14.1113 14.1113 k = 0.0738 0.0738 0.0738 ( 3830 PWs) bands (ev): -37.5466 -37.5466 -37.4673 -37.4673 -37.4673 -37.4673 -16.5783 -16.5783 -16.5758 -16.5758 -16.4192 -16.4192 -16.0848 -16.0848 -16.0806 -16.0806 -16.0461 -16.0461 -16.0052 -16.0052 -15.8072 -15.8072 -15.7929 -15.7929 -0.4248 -0.4248 -0.4224 -0.4224 1.4085 1.4085 1.7003 1.7003 1.7035 1.7035 1.7293 1.7293 4.4963 4.4963 10.1441 10.1441 10.2783 10.2783 10.4545 10.4545 11.4001 11.4001 11.5450 11.5450 11.5560 11.5560 11.7772 11.7772 11.8081 11.8081 13.3061 13.3061 13.8620 13.8620 14.0737 14.0737 k = 0.0820 0.0820 0.0820 ( 3830 PWs) bands (ev): -37.5459 -37.5459 -37.4676 -37.4676 -37.4676 -37.4676 -16.5776 -16.5776 -16.5745 -16.5745 -16.4198 -16.4198 -16.0851 -16.0851 -16.0797 -16.0797 -16.0455 -16.0455 -16.0054 -16.0054 -15.8107 -15.8107 -15.7932 -15.7932 -0.4242 -0.4242 -0.4213 -0.4213 1.4294 1.4294 1.7018 1.7018 1.7057 1.7057 1.7302 1.7302 4.5129 4.5129 10.0942 10.0942 10.2253 10.2253 10.4388 10.4388 11.3430 11.3430 11.5295 11.5295 11.5360 11.5360 11.7975 11.7975 11.8299 11.8299 13.2975 13.2975 13.8158 13.8158 14.0393 14.0393 k = 0.0902 0.0902 0.0902 ( 3824 PWs) bands (ev): -37.5452 -37.5452 -37.4680 -37.4680 -37.4680 -37.4680 -16.5768 -16.5768 -16.5730 -16.5730 -16.4204 -16.4204 -16.0856 -16.0856 -16.0787 -16.0787 -16.0448 -16.0448 -16.0055 -16.0055 -15.8145 -15.8145 -15.7936 -15.7936 -0.4235 -0.4235 -0.4201 -0.4201 1.4522 1.4522 1.7034 1.7034 1.7080 1.7080 1.7313 1.7313 4.5312 4.5312 10.0415 10.0415 10.1698 10.1698 10.4219 10.4219 11.2771 11.2771 11.5015 11.5015 11.5232 11.5232 11.8207 11.8207 11.8542 11.8542 13.2919 13.2919 13.7773 13.7773 14.0086 14.0086 k = 0.0984 0.0984 0.0984 ( 3827 PWs) bands (ev): -37.5444 -37.5444 -37.4684 -37.4684 -37.4684 -37.4684 -16.5760 -16.5760 -16.5716 -16.5716 -16.4212 -16.4212 -16.0861 -16.0861 -16.0776 -16.0776 -16.0441 -16.0441 -16.0055 -16.0055 -15.8184 -15.8184 -15.7940 -15.7940 -0.4228 -0.4228 -0.4189 -0.4189 1.4768 1.4768 1.7051 1.7051 1.7104 1.7104 1.7326 1.7326 4.5510 4.5510 9.9864 9.9864 10.1121 10.1121 10.4035 10.4035 11.2043 11.2043 11.4713 11.4713 11.5068 11.5068 11.8463 11.8463 11.8804 11.8804 13.2896 13.2896 13.7464 13.7464 13.9816 13.9816 k = 0.1066 0.1066 0.1066 ( 3827 PWs) bands (ev): -37.5435 -37.5435 -37.4688 -37.4688 -37.4688 -37.4688 -16.5751 -16.5751 -16.5700 -16.5700 -16.4221 -16.4221 -16.0869 -16.0869 -16.0763 -16.0763 -16.0434 -16.0434 -16.0054 -16.0054 -15.8225 -15.8225 -15.7944 -15.7944 -0.4221 -0.4221 -0.4176 -0.4176 1.5030 1.5030 1.7069 1.7069 1.7130 1.7130 1.7343 1.7343 4.5724 4.5724 9.9296 9.9296 10.0528 10.0528 10.3832 10.3832 11.1261 11.1261 11.4387 11.4387 11.4874 11.4874 11.8741 11.8741 11.9085 11.9085 13.2906 13.2906 13.7228 13.7228 13.9585 13.9585 k = 0.1148 0.1148 0.1148 ( 3821 PWs) bands (ev): -37.5426 -37.5426 -37.4693 -37.4693 -37.4693 -37.4693 -16.5742 -16.5742 -16.5684 -16.5684 -16.4230 -16.4230 -16.0877 -16.0877 -16.0750 -16.0750 -16.0427 -16.0427 -16.0052 -16.0052 -15.8267 -15.8267 -15.7948 -15.7948 -0.4213 -0.4213 -0.4162 -0.4162 1.5306 1.5306 1.7088 1.7088 1.7158 1.7158 1.7366 1.7366 4.5952 4.5952 9.8714 9.8714 9.9920 9.9920 10.3605 10.3605 11.0443 11.0443 11.4038 11.4038 11.4653 11.4653 11.9036 11.9036 11.9380 11.9380 13.2949 13.2949 13.7061 13.7061 13.9393 13.9393 k = 0.1230 0.1230 0.1230 ( 3821 PWs) bands (ev): -37.5416 -37.5416 -37.4698 -37.4698 -37.4698 -37.4698 -16.5734 -16.5734 -16.5668 -16.5668 -16.4241 -16.4241 -16.0887 -16.0887 -16.0735 -16.0735 -16.0421 -16.0421 -16.0048 -16.0048 -15.8311 -15.8311 -15.7952 -15.7952 -0.4206 -0.4206 -0.4148 -0.4148 1.5592 1.5592 1.7107 1.7107 1.7185 1.7185 1.7399 1.7399 4.6195 4.6195 9.8120 9.8120 9.9301 9.9301 10.3346 10.3346 10.9606 10.9606 11.3668 11.3668 11.4408 11.4408 11.9347 11.9347 11.9688 11.9688 13.3024 13.3024 13.6956 13.6956 13.9236 13.9236 k = 0.1311 0.1311 0.1311 ( 3821 PWs) bands (ev): -37.5406 -37.5406 -37.4703 -37.4703 -37.4703 -37.4703 -16.5725 -16.5725 -16.5651 -16.5651 -16.4253 -16.4253 -16.0899 -16.0899 -16.0719 -16.0719 -16.0415 -16.0415 -16.0042 -16.0042 -15.8354 -15.8354 -15.7956 -15.7956 -0.4197 -0.4197 -0.4134 -0.4134 1.5882 1.5882 1.7126 1.7126 1.7215 1.7215 1.7445 1.7445 4.6451 4.6451 9.7520 9.7520 9.8674 9.8674 10.3046 10.3046 10.8767 10.8767 11.3281 11.3281 11.4143 11.4143 11.9670 11.9670 12.0007 12.0007 13.3130 13.3130 13.6907 13.6907 13.9115 13.9115 k = 0.1393 0.1393 0.1393 ( 3821 PWs) bands (ev): -37.5395 -37.5395 -37.4708 -37.4708 -37.4708 -37.4708 -16.5716 -16.5716 -16.5635 -16.5635 -16.4267 -16.4267 -16.0912 -16.0912 -16.0701 -16.0701 -16.0412 -16.0412 -16.0033 -16.0033 -15.8398 -15.8398 -15.7960 -15.7960 -0.4189 -0.4189 -0.4120 -0.4120 1.6168 1.6168 1.7144 1.7144 1.7244 1.7244 1.7517 1.7517 4.6721 4.6721 9.6914 9.6914 9.8041 9.8041 10.2692 10.2692 10.7951 10.7951 11.2879 11.2879 11.3860 11.3860 12.0006 12.0006 12.0338 12.0338 13.3262 13.3262 13.6905 13.6905 13.9024 13.9024 k = 0.1475 0.1475 0.1475 ( 3821 PWs) bands (ev): -37.5383 -37.5383 -37.4714 -37.4714 -37.4714 -37.4714 -16.5707 -16.5707 -16.5618 -16.5618 -16.4282 -16.4282 -16.0927 -16.0927 -16.0682 -16.0682 -16.0409 -16.0409 -16.0023 -16.0023 -15.8441 -15.8441 -15.7964 -15.7964 -0.4181 -0.4181 -0.4106 -0.4106 1.6431 1.6431 1.7160 1.7160 1.7274 1.7274 1.7629 1.7629 4.7002 4.7002 9.6306 9.6306 9.7403 9.7403 10.2268 10.2268 10.7180 10.7180 11.2466 11.2466 11.3564 11.3564 12.0353 12.0353 12.0678 12.0678 13.3420 13.3420 13.6946 13.6946 13.8962 13.8962 k = 0.1557 0.1557 0.1557 ( 3833 PWs) bands (ev): -37.5372 -37.5372 -37.4719 -37.4719 -37.4719 -37.4719 -16.5699 -16.5699 -16.5602 -16.5602 -16.4299 -16.4299 -16.0943 -16.0943 -16.0662 -16.0662 -16.0410 -16.0410 -16.0010 -16.0010 -15.8483 -15.8483 -15.7968 -15.7968 -0.4172 -0.4172 -0.4093 -0.4093 1.6653 1.6653 1.7174 1.7174 1.7305 1.7305 1.7800 1.7800 4.7295 4.7295 9.5697 9.5697 9.6763 9.6763 10.1758 10.1758 10.6477 10.6477 11.2047 11.2047 11.3257 11.3257 12.0711 12.0711 12.1027 12.1027 13.3597 13.3597 13.7020 13.7020 13.8924 13.8924 k = 0.1639 0.1639 0.1639 ( 3809 PWs) bands (ev): -37.5359 -37.5359 -37.4725 -37.4725 -37.4725 -37.4725 -16.5690 -16.5690 -16.5585 -16.5585 -16.4317 -16.4317 -16.0960 -16.0960 -16.0639 -16.0639 -16.0411 -16.0411 -15.9995 -15.9995 -15.8522 -15.8522 -15.7971 -15.7971 -0.4164 -0.4164 -0.4078 -0.4078 1.6821 1.6821 1.7185 1.7185 1.7336 1.7336 1.8044 1.8044 4.7599 4.7599 9.5089 9.5089 9.6124 9.6124 10.1154 10.1154 10.5859 10.5859 11.1627 11.1627 11.2944 11.2944 12.1079 12.1079 12.1386 12.1386 13.3793 13.3793 13.7121 13.7121 13.8907 13.8907 k = 0.1721 0.1721 0.1721 ( 3809 PWs) bands (ev): -37.5347 -37.5347 -37.4731 -37.4731 -37.4731 -37.4731 -16.5683 -16.5683 -16.5570 -16.5570 -16.4337 -16.4337 -16.0978 -16.0978 -16.0615 -16.0615 -16.0416 -16.0416 -15.9978 -15.9978 -15.8559 -15.8559 -15.7975 -15.7975 -0.4155 -0.4155 -0.4065 -0.4065 1.6939 1.6939 1.7194 1.7194 1.7367 1.7367 1.8354 1.8354 4.7912 4.7912 9.4484 9.4484 9.5485 9.5485 10.0455 10.0455 10.5332 10.5332 11.1207 11.1207 11.2626 11.2626 12.1455 12.1455 12.1753 12.1753 13.4001 13.4001 13.7243 13.7243 13.8904 13.8904 k = 0.1803 0.1803 0.1803 ( 3821 PWs) bands (ev): -37.5334 -37.5334 -37.4738 -37.4738 -37.4738 -37.4738 -16.5676 -16.5676 -16.5555 -16.5555 -16.4360 -16.4360 -16.0998 -16.0998 -16.0591 -16.0591 -16.0423 -16.0423 -15.9959 -15.9959 -15.8593 -15.8593 -15.7978 -15.7978 -0.4147 -0.4147 -0.4052 -0.4052 1.7020 1.7020 1.7201 1.7201 1.7396 1.7396 1.8715 1.8715 4.8234 4.8234 9.3882 9.3882 9.4849 9.4849 9.9672 9.9672 10.4888 10.4888 11.0790 11.0790 11.2305 11.2305 12.1840 12.1840 12.2127 12.2127 13.4218 13.4218 13.7377 13.7377 13.8912 13.8912 k = 0.1885 0.1885 0.1885 ( 3809 PWs) bands (ev): -37.5321 -37.5321 -37.4744 -37.4744 -37.4744 -37.4744 -16.5669 -16.5669 -16.5541 -16.5541 -16.4383 -16.4383 -16.1019 -16.1019 -16.0564 -16.0564 -16.0431 -16.0431 -15.9939 -15.9939 -15.8623 -15.8623 -15.7981 -15.7981 -0.4139 -0.4139 -0.4039 -0.4039 1.7080 1.7080 1.7206 1.7206 1.7427 1.7427 1.9111 1.9111 4.8563 4.8563 9.3285 9.3285 9.4216 9.4216 9.8828 9.8828 10.4514 10.4514 11.0382 11.0382 11.1986 11.1986 12.2232 12.2232 12.2509 12.2509 13.4440 13.4440 13.7519 13.7519 13.8925 13.8925 k = 0.1967 0.1967 0.1967 ( 3809 PWs) bands (ev): -37.5307 -37.5307 -37.4751 -37.4751 -37.4751 -37.4751 -16.5663 -16.5663 -16.5528 -16.5528 -16.4409 -16.4409 -16.1041 -16.1041 -16.0536 -16.0536 -16.0442 -16.0442 -15.9919 -15.9919 -15.8649 -15.8649 -15.7983 -15.7983 -0.4131 -0.4131 -0.4028 -0.4028 1.7124 1.7124 1.7213 1.7213 1.7456 1.7456 1.9533 1.9533 4.8900 4.8900 9.2695 9.2695 9.3589 9.3589 9.7939 9.7939 10.4194 10.4194 10.9985 10.9985 11.1671 11.1671 12.2632 12.2632 12.2897 12.2897 13.4662 13.4662 13.7662 13.7662 13.8937 13.8937 k = 0.2049 0.2049 0.2049 ( 3806 PWs) bands (ev): -37.5293 -37.5293 -37.4757 -37.4757 -37.4757 -37.4757 -16.5657 -16.5657 -16.5516 -16.5516 -16.4437 -16.4437 -16.1065 -16.1065 -16.0507 -16.0507 -16.0455 -16.0455 -15.9898 -15.9898 -15.8670 -15.8670 -15.7985 -15.7985 -0.4123 -0.4123 -0.4017 -0.4017 1.7154 1.7154 1.7224 1.7224 1.7484 1.7484 1.9974 1.9974 4.9241 4.9241 9.2111 9.2111 9.2969 9.2969 9.7024 9.7024 10.3915 10.3915 10.9602 10.9602 11.1361 11.1361 12.3038 12.3038 12.3292 12.3292 13.4878 13.4878 13.7799 13.7799 13.8943 13.8943 k = 0.2131 0.2131 0.2131 ( 3818 PWs) bands (ev): -37.5279 -37.5279 -37.4764 -37.4764 -37.4764 -37.4764 -16.5653 -16.5653 -16.5505 -16.5505 -16.4468 -16.4468 -16.1089 -16.1089 -16.0476 -16.0476 -16.0470 -16.0470 -15.9877 -15.9877 -15.8686 -15.8686 -15.7987 -15.7987 -0.4115 -0.4115 -0.4007 -0.4007 1.7169 1.7169 1.7242 1.7242 1.7512 1.7512 2.0430 2.0430 4.9588 4.9588 9.1534 9.1534 9.2355 9.2355 9.6096 9.6096 10.3665 10.3665 10.9235 10.9235 11.1059 11.1059 12.3450 12.3450 12.3691 12.3691 13.5086 13.5086 13.7923 13.7923 13.8938 13.8938 k = 0.2213 0.2213 0.2213 ( 3812 PWs) bands (ev): -37.5265 -37.5265 -37.4771 -37.4771 -37.4771 -37.4771 -16.5648 -16.5648 -16.5495 -16.5495 -16.4500 -16.4500 -16.1114 -16.1114 -16.0486 -16.0486 -16.0444 -16.0444 -15.9856 -15.9856 -15.8696 -15.8696 -15.7987 -15.7987 -0.4108 -0.4108 -0.3998 -0.3998 1.7174 1.7174 1.7266 1.7266 1.7538 1.7538 2.0898 2.0898 4.9937 4.9937 9.0965 9.0965 9.1749 9.1749 9.5168 9.5168 10.3440 10.3440 10.8888 10.8888 11.0768 11.0768 12.3866 12.3866 12.4095 12.4095 13.5281 13.5281 13.8030 13.8030 13.8916 13.8916 k = 0.2295 0.2295 0.2295 ( 3818 PWs) bands (ev): -37.5251 -37.5251 -37.4778 -37.4778 -37.4778 -37.4778 -16.5645 -16.5645 -16.5486 -16.5486 -16.4535 -16.4535 -16.1140 -16.1140 -16.0504 -16.0504 -16.0411 -16.0411 -15.9836 -15.9836 -15.8701 -15.8701 -15.7988 -15.7988 -0.4101 -0.4101 -0.3990 -0.3990 1.7172 1.7172 1.7293 1.7293 1.7564 1.7564 2.1376 2.1376 5.0288 5.0288 9.0405 9.0405 9.1153 9.1153 9.4247 9.4247 10.3233 10.3233 10.8561 10.8561 11.0488 11.0488 12.4286 12.4286 12.4503 12.4503 13.5459 13.5459 13.8113 13.8113 13.8873 13.8873 k = 0.2377 0.2377 0.2377 ( 3815 PWs) bands (ev): -37.5236 -37.5236 -37.4785 -37.4785 -37.4785 -37.4785 -16.5642 -16.5642 -16.5478 -16.5478 -16.4571 -16.4571 -16.1166 -16.1166 -16.0523 -16.0523 -16.0377 -16.0377 -15.9817 -15.9817 -15.8699 -15.8699 -15.7988 -15.7988 -0.4095 -0.4095 -0.3982 -0.3982 1.7167 1.7167 1.7319 1.7319 1.7588 1.7588 2.1863 2.1863 5.0639 5.0639 8.9854 8.9854 9.0567 9.0567 9.3340 9.3340 10.3040 10.3040 10.8258 10.8258 11.0222 11.0222 12.4710 12.4710 12.4913 12.4913 13.5619 13.5619 13.8169 13.8169 13.8807 13.8807 k = 0.2459 0.2459 0.2459 ( 3824 PWs) bands (ev): -37.5222 -37.5222 -37.4792 -37.4792 -37.4792 -37.4792 -16.5640 -16.5640 -16.5472 -16.5472 -16.4610 -16.4610 -16.1194 -16.1194 -16.0543 -16.0543 -16.0342 -16.0342 -15.9799 -15.9799 -15.8692 -15.8692 -15.7987 -15.7987 -0.4089 -0.4089 -0.3976 -0.3976 1.7160 1.7160 1.7344 1.7344 1.7610 1.7610 2.2355 2.2355 5.0989 5.0989 8.9313 8.9313 8.9990 8.9990 9.2451 9.2451 10.2857 10.2857 10.7979 10.7979 10.9971 10.9971 12.5134 12.5134 12.5325 12.5325 13.5756 13.5756 13.8193 13.8193 13.8715 13.8715 k = 0.2541 0.2541 0.2541 ( 3824 PWs) bands (ev): -37.5207 -37.5207 -37.4799 -37.4799 -37.4799 -37.4799 -16.5639 -16.5639 -16.5467 -16.5467 -16.4650 -16.4650 -16.1222 -16.1222 -16.0563 -16.0563 -16.0306 -16.0306 -15.9782 -15.9782 -15.8680 -15.8680 -15.7986 -15.7986 -0.4083 -0.4083 -0.3971 -0.3971 1.7150 1.7150 1.7370 1.7370 1.7631 1.7631 2.2853 2.2853 5.1336 5.1336 8.8781 8.8781 8.9426 8.9426 9.1585 9.1585 10.2687 10.2687 10.7726 10.7726 10.9735 10.9735 12.5560 12.5560 12.5739 12.5739 13.5870 13.5870 13.8184 13.8184 13.8598 13.8598 k = 0.2623 0.2623 0.2623 ( 3815 PWs) bands (ev): -37.5193 -37.5193 -37.4806 -37.4806 -37.4806 -37.4806 -16.5638 -16.5638 -16.5463 -16.5463 -16.4692 -16.4692 -16.1251 -16.1251 -16.0583 -16.0583 -16.0269 -16.0269 -15.9766 -15.9766 -15.8662 -15.8662 -15.7984 -15.7984 -0.4078 -0.4078 -0.3966 -0.3966 1.7140 1.7140 1.7394 1.7394 1.7652 1.7652 2.3354 2.3354 5.1680 5.1680 8.8260 8.8260 8.8874 8.8874 9.0747 9.0747 10.2526 10.2526 10.7501 10.7501 10.9517 10.9517 12.5985 12.5985 12.6152 12.6152 13.5960 13.5960 13.8139 13.8140 13.8455 13.8455 k = 0.2705 0.2705 0.2705 ( 3809 PWs) bands (ev): -37.5178 -37.5178 -37.4813 -37.4813 -37.4813 -37.4813 -16.5639 -16.5639 -16.5460 -16.5460 -16.4736 -16.4736 -16.1281 -16.1281 -16.0603 -16.0603 -16.0231 -16.0231 -15.9751 -15.9751 -15.8639 -15.8639 -15.7981 -15.7981 -0.4073 -0.4073 -0.3963 -0.3963 1.7128 1.7128 1.7418 1.7418 1.7670 1.7670 2.3857 2.3857 5.2018 5.2018 8.7749 8.7749 8.8335 8.8335 8.9938 8.9938 10.2374 10.2374 10.7303 10.7303 10.9316 10.9316 12.6409 12.6409 12.6563 12.6563 13.6025 13.6025 13.8061 13.8061 13.8288 13.8288 k = 0.2787 0.2787 0.2787 ( 3803 PWs) bands (ev): -37.5164 -37.5164 -37.4820 -37.4820 -37.4820 -37.4820 -16.5640 -16.5640 -16.5459 -16.5459 -16.4781 -16.4781 -16.1311 -16.1311 -16.0623 -16.0623 -16.0193 -16.0193 -15.9737 -15.9737 -15.8611 -15.8611 -15.7977 -15.7977 -0.4068 -0.4068 -0.3960 -0.3960 1.7115 1.7115 1.7441 1.7441 1.7687 1.7687 2.4360 2.4360 5.2348 5.2348 8.7248 8.7248 8.7808 8.7808 8.9162 8.9162 10.2231 10.2231 10.7133 10.7133 10.9133 10.9133 12.6829 12.6829 12.6971 12.6971 13.6065 13.6065 13.7949 13.7949 13.8099 13.8099 k = 0.2869 0.2869 0.2869 ( 3809 PWs) bands (ev): -37.5150 -37.5150 -37.4827 -37.4827 -37.4827 -37.4827 -16.5642 -16.5642 -16.5459 -16.5459 -16.4828 -16.4828 -16.1342 -16.1342 -16.0642 -16.0642 -16.0155 -16.0155 -15.9724 -15.9724 -15.8581 -15.8581 -15.7974 -15.7974 -0.4065 -0.4065 -0.3959 -0.3959 1.7100 1.7100 1.7463 1.7463 1.7702 1.7702 2.4861 2.4861 5.2670 5.2670 8.6756 8.6756 8.7296 8.7296 8.8422 8.8422 10.2096 10.2096 10.6991 10.6991 10.8969 10.8969 12.7245 12.7245 12.7375 12.7375 13.6079 13.6079 13.7808 13.7808 13.7890 13.7890 k = 0.2951 0.2951 0.2951 ( 3809 PWs) bands (ev): -37.5136 -37.5136 -37.4834 -37.4834 -37.4834 -37.4834 -16.5645 -16.5645 -16.5459 -16.5459 -16.4875 -16.4875 -16.1373 -16.1373 -16.0660 -16.0660 -16.0117 -16.0117 -15.9712 -15.9712 -15.8547 -15.8547 -15.7969 -15.7969 -0.4061 -0.4061 -0.3959 -0.3959 1.7085 1.7085 1.7484 1.7484 1.7715 1.7715 2.5361 2.5361 5.2981 5.2981 8.6275 8.6275 8.6798 8.6798 8.7719 8.7719 10.1970 10.1970 10.6877 10.6877 10.8823 10.8823 12.7654 12.7654 12.7774 12.7774 13.6070 13.6070 13.7638 13.7638 13.7664 13.7664 k = 0.3033 0.3033 0.3033 ( 3815 PWs) bands (ev): -37.5122 -37.5122 -37.4841 -37.4841 -37.4841 -37.4841 -16.5648 -16.5648 -16.5461 -16.5461 -16.4924 -16.4924 -16.1405 -16.1405 -16.0678 -16.0678 -16.0079 -16.0079 -15.9700 -15.9700 -15.8510 -15.8510 -15.7964 -15.7964 -0.4059 -0.4059 -0.3959 -0.3959 1.7068 1.7068 1.7505 1.7505 1.7727 1.7727 2.5856 2.5856 5.3280 5.3280 8.5803 8.5803 8.6314 8.6314 8.7056 8.7056 10.1853 10.1853 10.6792 10.6792 10.8697 10.8697 12.8056 12.8056 12.8165 12.8165 13.6038 13.6038 13.7422 13.7422 13.7445 13.7445 k = 0.3115 0.3115 0.3115 ( 3803 PWs) bands (ev): -37.5108 -37.5108 -37.4847 -37.4847 -37.4847 -37.4847 -16.5652 -16.5652 -16.5464 -16.5464 -16.4973 -16.4973 -16.1436 -16.1436 -16.0694 -16.0694 -16.0041 -16.0041 -15.9688 -15.9688 -15.8471 -15.8471 -15.7958 -15.7958 -0.4056 -0.4056 -0.3961 -0.3961 1.7051 1.7051 1.7525 1.7525 1.7737 1.7737 2.6346 2.6346 5.3566 5.3566 8.5341 8.5341 8.5847 8.5847 8.6436 8.6436 10.1747 10.1747 10.6734 10.6734 10.8589 10.8589 12.8449 12.8449 12.8548 12.8548 13.5984 13.5984 13.7168 13.7168 13.7231 13.7231 k = 0.3197 0.3197 0.3197 ( 3788 PWs) bands (ev): -37.5095 -37.5095 -37.4854 -37.4854 -37.4854 -37.4854 -16.5657 -16.5657 -16.5467 -16.5467 -16.5022 -16.5022 -16.1467 -16.1467 -16.0708 -16.0708 -16.0003 -16.0003 -15.9677 -15.9677 -15.8429 -15.8429 -15.7951 -15.7951 -0.4053 -0.4053 -0.3962 -0.3962 1.7033 1.7033 1.7544 1.7544 1.7747 1.7747 2.6830 2.6830 5.3837 5.3837 8.4889 8.4889 8.5396 8.5396 8.5858 8.5858 10.1650 10.1650 10.6702 10.6702 10.8501 10.8501 12.8831 12.8831 12.8922 12.8922 13.5908 13.5908 13.6903 13.6903 13.7000 13.7000 k = 0.3279 0.3279 0.3279 ( 3794 PWs) bands (ev): -37.5082 -37.5082 -37.4860 -37.4860 -37.4860 -37.4860 -16.5663 -16.5663 -16.5471 -16.5471 -16.5071 -16.5071 -16.1499 -16.1499 -16.0722 -16.0722 -15.9966 -15.9966 -15.9667 -15.9667 -15.8388 -15.8388 -15.7944 -15.7944 -0.4052 -0.4052 -0.3966 -0.3966 1.7015 1.7015 1.7562 1.7562 1.7754 1.7754 2.7305 2.7305 5.4092 5.4092 8.4447 8.4447 8.4961 8.4961 8.5322 8.5322 10.1564 10.1564 10.6696 10.6696 10.8429 10.8429 12.9201 12.9201 12.9283 12.9283 13.5811 13.5811 13.6630 13.6630 13.6755 13.6755 k = 0.3361 0.3361 0.3361 ( 3788 PWs) bands (ev): -37.5069 -37.5069 -37.4866 -37.4866 -37.4866 -37.4866 -16.5669 -16.5669 -16.5476 -16.5476 -16.5119 -16.5119 -16.1530 -16.1530 -16.0735 -16.0735 -15.9930 -15.9930 -15.9656 -15.9656 -15.8345 -15.8345 -15.7936 -15.7936 -0.4050 -0.4050 -0.3970 -0.3970 1.6996 1.6996 1.7579 1.7579 1.7760 1.7760 2.7771 2.7771 5.4331 5.4331 8.4019 8.4019 8.4543 8.4543 8.4828 8.4828 10.1488 10.1488 10.6714 10.6714 10.8375 10.8375 12.9558 12.9558 12.9632 12.9632 13.5694 13.5694 13.6350 13.6350 13.6500 13.6500 k = 0.3443 0.3443 0.3443 ( 3806 PWs) bands (ev): -37.5057 -37.5057 -37.4872 -37.4872 -37.4872 -37.4872 -16.5678 -16.5678 -16.5482 -16.5482 -16.5166 -16.5166 -16.1561 -16.1561 -16.0746 -16.0746 -15.9895 -15.9895 -15.9647 -15.9647 -15.8302 -15.8302 -15.7928 -15.7928 -0.4050 -0.4050 -0.3974 -0.3974 1.6976 1.6976 1.7595 1.7595 1.7764 1.7764 2.8226 2.8226 5.4551 5.4551 8.3605 8.3605 8.4141 8.4141 8.4371 8.4371 10.1422 10.1422 10.6755 10.6755 10.8338 10.8338 12.9898 12.9898 12.9967 12.9967 13.5558 13.5558 13.6066 13.6066 13.6238 13.6238 k = 0.3525 0.3525 0.3525 ( 3803 PWs) bands (ev): -37.5045 -37.5045 -37.4878 -37.4878 -37.4878 -37.4878 -16.5686 -16.5686 -16.5489 -16.5489 -16.5212 -16.5212 -16.1590 -16.1590 -16.0756 -16.0756 -15.9861 -15.9861 -15.9637 -15.9637 -15.8259 -15.8259 -15.7919 -15.7919 -0.4050 -0.4050 -0.3979 -0.3979 1.6957 1.6957 1.7611 1.7611 1.7767 1.7767 2.8668 2.8668 5.4753 5.4753 8.3212 8.3212 8.3758 8.3758 8.3951 8.3951 10.1367 10.1367 10.6819 10.6819 10.8316 10.8316 13.0223 13.0223 13.0286 13.0286 13.5402 13.5403 13.5780 13.5780 13.5972 13.5972 k = 0.3607 0.3607 0.3607 ( 3803 PWs) bands (ev): -37.5034 -37.5034 -37.4883 -37.4883 -37.4883 -37.4883 -16.5696 -16.5696 -16.5495 -16.5495 -16.5256 -16.5256 -16.1619 -16.1619 -16.0765 -16.0765 -15.9829 -15.9829 -15.9628 -15.9628 -15.8217 -15.8217 -15.7910 -15.7910 -0.4050 -0.4050 -0.3984 -0.3984 1.6937 1.6937 1.7626 1.7626 1.7770 1.7770 2.9097 2.9097 5.4937 5.4937 8.2843 8.2843 8.3394 8.3394 8.3561 8.3561 10.1322 10.1322 10.6902 10.6902 10.8308 10.8308 13.0531 13.0531 13.0589 13.0589 13.5228 13.5228 13.5492 13.5492 13.5706 13.5706 k = 0.3689 0.3689 0.3689 ( 3803 PWs) bands (ev): -37.5023 -37.5023 -37.4889 -37.4889 -37.4889 -37.4889 -16.5707 -16.5707 -16.5502 -16.5502 -16.5298 -16.5298 -16.1647 -16.1647 -16.0773 -16.0773 -15.9797 -15.9797 -15.9619 -15.9619 -15.8175 -15.8175 -15.7901 -15.7901 -0.4050 -0.4050 -0.3990 -0.3990 1.6918 1.6918 1.7640 1.7640 1.7771 1.7771 2.9510 2.9510 5.5102 5.5102 8.2500 8.2500 8.3048 8.3048 8.3201 8.3201 10.1287 10.1287 10.7004 10.7004 10.8315 10.8315 13.0820 13.0820 13.0875 13.0875 13.5034 13.5035 13.5205 13.5205 13.5443 13.5443 k = 0.3770 0.3770 0.3770 ( 3809 PWs) bands (ev): -37.5013 -37.5013 -37.4894 -37.4894 -37.4894 -37.4894 -16.5719 -16.5719 -16.5509 -16.5509 -16.5337 -16.5337 -16.1674 -16.1674 -16.0780 -16.0780 -15.9767 -15.9767 -15.9611 -15.9611 -15.8134 -15.8134 -15.7892 -15.7892 -0.4050 -0.4050 -0.3996 -0.3996 1.6898 1.6898 1.7653 1.7653 1.7772 1.7772 2.9907 2.9907 5.5249 5.5249 8.2184 8.2184 8.2721 8.2721 8.2866 8.2866 10.1261 10.1261 10.7122 10.7122 10.8333 10.8333 13.1089 13.1089 13.1142 13.1142 13.4823 13.4823 13.4920 13.4920 13.5186 13.5186 k = 0.3852 0.3852 0.3852 ( 3803 PWs) bands (ev): -37.5003 -37.5003 -37.4898 -37.4898 -37.4898 -37.4898 -16.5732 -16.5732 -16.5516 -16.5516 -16.5374 -16.5374 -16.1699 -16.1699 -16.0786 -16.0786 -15.9739 -15.9739 -15.9603 -15.9603 -15.8095 -15.8095 -15.7882 -15.7882 -0.4051 -0.4051 -0.4002 -0.4002 1.6879 1.6879 1.7666 1.7666 1.7772 1.7772 3.0287 3.0287 5.5377 5.5377 8.1898 8.1898 8.2414 8.2414 8.2555 8.2555 10.1245 10.1245 10.7255 10.7255 10.8362 10.8362 13.1338 13.1338 13.1390 13.1390 13.4596 13.4596 13.4640 13.4640 13.4937 13.4937 k = 0.3934 0.3934 0.3934 ( 3809 PWs) bands (ev): -37.4993 -37.4993 -37.4903 -37.4903 -37.4903 -37.4903 -16.5747 -16.5747 -16.5523 -16.5523 -16.5407 -16.5407 -16.1723 -16.1723 -16.0791 -16.0791 -15.9712 -15.9712 -15.9595 -15.9595 -15.8057 -15.8057 -15.7873 -15.7873 -0.4051 -0.4051 -0.4009 -0.4009 1.6861 1.6861 1.7677 1.7677 1.7770 1.7770 3.0647 3.0647 5.5488 5.5488 8.1640 8.1640 8.2126 8.2126 8.2267 8.2267 10.1235 10.1235 10.7399 10.7399 10.8400 10.8400 13.1567 13.1567 13.1619 13.1619 13.4360 13.4360 13.4367 13.4367 13.4695 13.4695 k = 0.4016 0.4016 0.4016 ( 3818 PWs) bands (ev): -37.4985 -37.4985 -37.4907 -37.4907 -37.4907 -37.4907 -16.5762 -16.5762 -16.5530 -16.5530 -16.5438 -16.5438 -16.1746 -16.1746 -16.0796 -16.0796 -15.9688 -15.9688 -15.9588 -15.9588 -15.8022 -15.8022 -15.7864 -15.7864 -0.4052 -0.4052 -0.4015 -0.4015 1.6843 1.6843 1.7687 1.7687 1.7769 1.7769 3.0986 3.0986 5.5582 5.5582 8.1410 8.1410 8.1858 8.1858 8.2001 8.2001 10.1233 10.1233 10.7553 10.7553 10.8445 10.8445 13.1775 13.1775 13.1827 13.1827 13.4102 13.4102 13.4120 13.4120 13.4458 13.4458 k = 0.4098 0.4098 0.4098 ( 3816 PWs) bands (ev): -37.4976 -37.4976 -37.4911 -37.4911 -37.4911 -37.4911 -16.5779 -16.5779 -16.5536 -16.5536 -16.5464 -16.5464 -16.1767 -16.1767 -16.0800 -16.0800 -15.9664 -15.9664 -15.9581 -15.9581 -15.7988 -15.7988 -15.7854 -15.7854 -0.4053 -0.4053 -0.4022 -0.4022 1.6826 1.6826 1.7697 1.7697 1.7767 1.7767 3.1304 3.1304 5.5661 5.5661 8.1207 8.1207 8.1610 8.1610 8.1758 8.1758 10.1237 10.1237 10.7713 10.7713 10.8496 10.8496 13.1962 13.1962 13.2016 13.2016 13.3848 13.3848 13.3881 13.3881 13.4227 13.4227 k = 0.4180 0.4180 0.4180 ( 3810 PWs) bands (ev): -37.4969 -37.4969 -37.4915 -37.4915 -37.4915 -37.4915 -16.5796 -16.5796 -16.5543 -16.5543 -16.5487 -16.5487 -16.1787 -16.1787 -16.0803 -16.0803 -15.9643 -15.9643 -15.9574 -15.9574 -15.7956 -15.7956 -15.7845 -15.7845 -0.4054 -0.4054 -0.4027 -0.4027 1.6811 1.6811 1.7706 1.7706 1.7765 1.7765 3.1599 3.1599 5.5727 5.5727 8.1030 8.1030 8.1384 8.1384 8.1536 8.1536 10.1245 10.1245 10.7877 10.7877 10.8551 10.8551 13.2128 13.2128 13.2184 13.2184 13.3607 13.3607 13.3650 13.3650 13.4001 13.4002 k = 0.4262 0.4262 0.4262 ( 3816 PWs) bands (ev): -37.4962 -37.4962 -37.4918 -37.4918 -37.4918 -37.4918 -16.5814 -16.5814 -16.5549 -16.5549 -16.5507 -16.5507 -16.1805 -16.1805 -16.0806 -16.0806 -15.9624 -15.9624 -15.9568 -15.9568 -15.7927 -15.7927 -15.7837 -15.7837 -0.4056 -0.4056 -0.4033 -0.4033 1.6796 1.6796 1.7714 1.7714 1.7762 1.7762 3.1871 3.1871 5.5779 5.5779 8.0875 8.0875 8.1177 8.1177 8.1334 8.1334 10.1258 10.1258 10.8040 10.8040 10.8608 10.8608 13.2272 13.2272 13.2330 13.2330 13.3383 13.3383 13.3430 13.3430 13.3784 13.3795 k = 0.4344 0.4344 0.4344 ( 3822 PWs) bands (ev): -37.4956 -37.4956 -37.4921 -37.4921 -37.4921 -37.4921 -16.5831 -16.5831 -16.5555 -16.5555 -16.5523 -16.5523 -16.1821 -16.1821 -16.0808 -16.0808 -15.9607 -15.9607 -15.9563 -15.9563 -15.7901 -15.7901 -15.7829 -15.7829 -0.4057 -0.4057 -0.4039 -0.4039 1.6782 1.6782 1.7721 1.7721 1.7760 1.7760 3.2116 3.2116 5.5821 5.5821 8.0743 8.0743 8.0992 8.0992 8.1155 8.1155 10.1273 10.1273 10.8200 10.8200 10.8665 10.8665 13.2394 13.2394 13.2453 13.2453 13.3179 13.3179 13.3227 13.3228 13.3577 13.3582 k = 0.4426 0.4426 0.4426 ( 3819 PWs) bands (ev): -37.4950 -37.4950 -37.4924 -37.4924 -37.4924 -37.4924 -16.5847 -16.5847 -16.5560 -16.5560 -16.5537 -16.5537 -16.1835 -16.1835 -16.0810 -16.0810 -15.9591 -15.9591 -15.9558 -15.9558 -15.7877 -15.7877 -15.7822 -15.7822 -0.4058 -0.4058 -0.4043 -0.4043 1.6770 1.6770 1.7728 1.7728 1.7758 1.7758 3.2336 3.2336 5.5854 5.5854 8.0631 8.0631 8.0828 8.0828 8.0997 8.0997 10.1289 10.1289 10.8353 10.8353 10.8721 10.8721 13.2489 13.2489 13.2548 13.2548 13.3003 13.3003 13.3051 13.3051 13.3385 13.3386 k = 0.4508 0.4508 0.4508 ( 3837 PWs) bands (ev): -37.4946 -37.4946 -37.4926 -37.4926 -37.4926 -37.4926 -16.5863 -16.5863 -16.5564 -16.5564 -16.5549 -16.5549 -16.1848 -16.1848 -16.0812 -16.0812 -15.9578 -15.9578 -15.9554 -15.9554 -15.7856 -15.7856 -15.7816 -15.7816 -0.4059 -0.4059 -0.4048 -0.4048 1.6759 1.6759 1.7733 1.7733 1.7755 1.7755 3.2528 3.2528 5.5878 5.5878 8.0537 8.0537 8.0685 8.0685 8.0860 8.0860 10.1306 10.1306 10.8494 10.8494 10.8773 10.8773 13.2541 13.2541 13.2593 13.2593 13.2872 13.2872 13.2921 13.2921 13.3211 13.3212 k = 0.4590 0.4590 0.4590 ( 3843 PWs) bands (ev): -37.4942 -37.4942 -37.4928 -37.4928 -37.4928 -37.4928 -16.5877 -16.5877 -16.5568 -16.5568 -16.5559 -16.5559 -16.1859 -16.1859 -16.0813 -16.0813 -15.9567 -15.9567 -15.9550 -15.9550 -15.7838 -15.7838 -15.7811 -15.7811 -0.4060 -0.4060 -0.4052 -0.4052 1.6750 1.6750 1.7737 1.7737 1.7753 1.7753 3.2691 3.2691 5.5896 5.5896 8.0460 8.0460 8.0565 8.0565 8.0745 8.0745 10.1322 10.1322 10.8622 10.8622 10.8821 10.8821 13.2520 13.2520 13.2557 13.2557 13.2822 13.2822 13.2874 13.2874 13.3062 13.3062 k = 0.4672 0.4672 0.4672 ( 3846 PWs) bands (ev): -37.4938 -37.4938 -37.4929 -37.4929 -37.4929 -37.4929 -16.5889 -16.5889 -16.5572 -16.5572 -16.5566 -16.5566 -16.1868 -16.1868 -16.0814 -16.0814 -15.9558 -15.9558 -15.9547 -15.9547 -15.7824 -15.7824 -15.7806 -15.7806 -0.4060 -0.4060 -0.4056 -0.4056 1.6742 1.6742 1.7741 1.7741 1.7751 1.7751 3.2827 3.2827 5.5909 5.5909 8.0398 8.0398 8.0466 8.0466 8.0652 8.0652 10.1337 10.1337 10.8732 10.8732 10.8861 10.8861 13.2444 13.2444 13.2468 13.2468 13.2837 13.2837 13.2865 13.2865 13.2957 13.2957 k = 0.4754 0.4754 0.4754 ( 3840 PWs) bands (ev): -37.4936 -37.4936 -37.4931 -37.4931 -37.4931 -37.4931 -16.5898 -16.5898 -16.5574 -16.5574 -16.5571 -16.5571 -16.1874 -16.1874 -16.0815 -16.0815 -15.9551 -15.9551 -15.9545 -15.9545 -15.7812 -15.7812 -15.7802 -15.7802 -0.4061 -0.4061 -0.4058 -0.4058 1.6736 1.6736 1.7744 1.7744 1.7750 1.7750 3.2933 3.2933 5.5918 5.5918 8.0351 8.0351 8.0389 8.0389 8.0581 8.0581 10.1349 10.1349 10.8820 10.8820 10.8895 10.8895 13.2363 13.2363 13.2378 13.2378 13.2803 13.2803 13.2867 13.2867 13.2937 13.2937 k = 0.4836 0.4836 0.4836 ( 3840 PWs) bands (ev): -37.4934 -37.4934 -37.4932 -37.4932 -37.4932 -37.4932 -16.5905 -16.5905 -16.5576 -16.5576 -16.5575 -16.5575 -16.1879 -16.1879 -16.0816 -16.0816 -15.9546 -15.9546 -15.9543 -15.9543 -15.7804 -15.7804 -15.7800 -15.7800 -0.4061 -0.4061 -0.4060 -0.4060 1.6731 1.6731 1.7746 1.7746 1.7749 1.7749 3.3009 3.3009 5.5924 5.5924 8.0317 8.0317 8.0334 8.0334 8.0530 8.0530 10.1358 10.1358 10.8886 10.8886 10.8919 10.8919 13.2300 13.2300 13.2306 13.2306 13.2735 13.2735 13.2893 13.2893 13.2933 13.2933 k = 0.4918 0.4918 0.4918 ( 3840 PWs) bands (ev): -37.4933 -37.4933 -37.4932 -37.4932 -37.4932 -37.4932 -16.5909 -16.5909 -16.5577 -16.5577 -16.5577 -16.5577 -16.1882 -16.1882 -16.0816 -16.0816 -15.9543 -15.9543 -15.9542 -15.9542 -15.7799 -15.7799 -15.7798 -15.7798 -0.4061 -0.4061 -0.4061 -0.4061 1.6729 1.6729 1.7748 1.7748 1.7748 1.7748 3.3055 3.3055 5.5927 5.5927 8.0297 8.0297 8.0301 8.0301 8.0500 8.0500 10.1364 10.1364 10.8926 10.8926 10.8934 10.8934 13.2260 13.2260 13.2262 13.2262 13.2691 13.2691 13.2909 13.2910 13.2921 13.2921 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5910 -16.5910 -16.5578 -16.5578 -16.5578 -16.5578 -16.1883 -16.1883 -16.0816 -16.0816 -15.9542 -15.9542 -15.9542 -15.9542 -15.7797 -15.7797 -15.7797 -15.7797 -0.4062 -0.4062 -0.4062 -0.4062 1.6728 1.6728 1.7748 1.7748 1.7748 1.7748 3.3070 3.3070 5.5928 5.5928 8.0290 8.0290 8.0290 8.0290 8.0490 8.0490 10.1366 10.1366 10.8939 10.8939 10.8939 10.8939 13.2247 13.2247 13.2247 13.2247 13.2677 13.2677 13.2915 13.2915 13.2915 13.2915 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5910 -16.5910 -16.5578 -16.5578 -16.5578 -16.5578 -16.1883 -16.1883 -16.0816 -16.0816 -15.9542 -15.9542 -15.9542 -15.9542 -15.7797 -15.7797 -15.7797 -15.7797 -0.4062 -0.4062 -0.4062 -0.4062 1.6728 1.6728 1.7748 1.7748 1.7748 1.7748 3.3070 3.3070 5.5928 5.5928 8.0290 8.0290 8.0290 8.0290 8.0490 8.0490 10.1366 10.1366 10.8939 10.8939 10.8939 10.8939 13.2247 13.2247 13.2247 13.2247 13.2677 13.2677 13.2915 13.2915 13.2915 13.2916 k = 0.4900 0.5000 0.4900 ( 3840 PWs) bands (ev): -37.4933 -37.4933 -37.4932 -37.4932 -37.4932 -37.4932 -16.5909 -16.5909 -16.5577 -16.5577 -16.5577 -16.5577 -16.1882 -16.1882 -16.0816 -16.0816 -15.9543 -15.9543 -15.9542 -15.9542 -15.7799 -15.7799 -15.7798 -15.7798 -0.4061 -0.4061 -0.4061 -0.4061 1.6729 1.6729 1.7748 1.7748 1.7748 1.7748 3.3055 3.3055 5.5927 5.5927 8.0292 8.0292 8.0305 8.0305 8.0501 8.0501 10.1364 10.1364 10.8924 10.8924 10.8936 10.8936 13.2260 13.2260 13.2262 13.2262 13.2691 13.2691 13.2910 13.2910 13.2921 13.2921 k = 0.4800 0.5000 0.4800 ( 3840 PWs) bands (ev): -37.4933 -37.4933 -37.4932 -37.4932 -37.4931 -37.4931 -16.5905 -16.5905 -16.5576 -16.5576 -16.5575 -16.5575 -16.1879 -16.1879 -16.0816 -16.0816 -15.9546 -15.9546 -15.9543 -15.9543 -15.7804 -15.7804 -15.7799 -15.7799 -0.4061 -0.4061 -0.4060 -0.4060 1.6731 1.6731 1.7746 1.7746 1.7749 1.7749 3.3010 3.3010 5.5924 5.5924 8.0296 8.0296 8.0350 8.0350 8.0534 8.0534 10.1358 10.1358 10.8880 10.8880 10.8925 10.8925 13.2299 13.2299 13.2306 13.2306 13.2734 13.2734 13.2894 13.2894 13.2932 13.2932 k = 0.4700 0.5000 0.4700 ( 3840 PWs) bands (ev): -37.4935 -37.4935 -37.4932 -37.4932 -37.4930 -37.4930 -16.5898 -16.5898 -16.5575 -16.5575 -16.5571 -16.5571 -16.1874 -16.1874 -16.0815 -16.0815 -15.9551 -15.9551 -15.9545 -15.9545 -15.7813 -15.7813 -15.7801 -15.7801 -0.4061 -0.4061 -0.4058 -0.4058 1.6736 1.6736 1.7744 1.7744 1.7750 1.7750 3.2934 3.2934 5.5918 5.5918 8.0297 8.0297 8.0423 8.0423 8.0598 8.0598 10.1349 10.1349 10.8808 10.8808 10.8909 10.8909 13.2362 13.2362 13.2378 13.2378 13.2804 13.2804 13.2868 13.2869 13.2933 13.2933 k = 0.4600 0.5000 0.4600 ( 3848 PWs) bands (ev): -37.4937 -37.4937 -37.4932 -37.4932 -37.4928 -37.4928 -16.5889 -16.5889 -16.5572 -16.5572 -16.5565 -16.5565 -16.1868 -16.1868 -16.0814 -16.0814 -15.9558 -15.9558 -15.9547 -15.9547 -15.7825 -15.7825 -15.7805 -15.7805 -0.4060 -0.4060 -0.4056 -0.4056 1.6741 1.6741 1.7741 1.7741 1.7751 1.7751 3.2830 3.2830 5.5910 5.5910 8.0292 8.0292 8.0521 8.0521 8.0697 8.0697 10.1336 10.1336 10.8709 10.8709 10.8887 10.8887 13.2446 13.2446 13.2472 13.2472 13.2829 13.2829 13.2899 13.2899 13.2917 13.2917 k = 0.4500 0.5000 0.4500 ( 3840 PWs) bands (ev): -37.4939 -37.4939 -37.4932 -37.4932 -37.4926 -37.4926 -16.5877 -16.5877 -16.5569 -16.5569 -16.5558 -16.5558 -16.1859 -16.1859 -16.0813 -16.0813 -15.9567 -15.9567 -15.9550 -15.9550 -15.7840 -15.7840 -15.7809 -15.7809 -0.4059 -0.4059 -0.4053 -0.4053 1.6749 1.6749 1.7737 1.7737 1.7753 1.7753 3.2696 3.2696 5.5898 5.5898 8.0282 8.0282 8.0644 8.0644 8.0833 8.0833 10.1321 10.1321 10.8587 10.8587 10.8861 10.8861 13.2545 13.2545 13.2574 13.2574 13.2793 13.2793 13.2887 13.2887 13.3019 13.3019 k = 0.4400 0.5000 0.4400 ( 3828 PWs) bands (ev): -37.4942 -37.4942 -37.4932 -37.4932 -37.4923 -37.4923 -16.5863 -16.5863 -16.5565 -16.5565 -16.5549 -16.5549 -16.1848 -16.1848 -16.0812 -16.0812 -15.9578 -15.9578 -15.9554 -15.9554 -15.7859 -15.7859 -15.7813 -15.7813 -0.4058 -0.4058 -0.4049 -0.4049 1.6759 1.6759 1.7733 1.7733 1.7756 1.7756 3.2535 3.2535 5.5883 5.5883 8.0270 8.0270 8.0787 8.0787 8.1007 8.1007 10.1303 10.1303 10.8444 10.8444 10.8833 10.8833 13.2624 13.2624 13.2645 13.2645 13.2788 13.2788 13.2885 13.2885 13.3155 13.3155 k = 0.4300 0.5000 0.4300 ( 3820 PWs) bands (ev): -37.4946 -37.4946 -37.4932 -37.4932 -37.4919 -37.4919 -16.5847 -16.5847 -16.5561 -16.5561 -16.5538 -16.5538 -16.1836 -16.1836 -16.0810 -16.0810 -15.9591 -15.9591 -15.9558 -15.9558 -15.7880 -15.7880 -15.7819 -15.7819 -0.4057 -0.4057 -0.4044 -0.4044 1.6770 1.6770 1.7727 1.7727 1.7759 1.7759 3.2348 3.2348 5.5861 5.5861 8.0257 8.0257 8.0950 8.0950 8.1217 8.1217 10.1283 10.1283 10.8283 10.8283 10.8805 10.8805 13.2576 13.2576 13.2686 13.2686 13.2839 13.2839 13.2987 13.2987 13.3308 13.3309 k = 0.4200 0.5000 0.4200 ( 3812 PWs) bands (ev): -37.4950 -37.4950 -37.4933 -37.4933 -37.4915 -37.4915 -16.5829 -16.5829 -16.5556 -16.5556 -16.5525 -16.5525 -16.1821 -16.1821 -16.0808 -16.0808 -15.9605 -15.9605 -15.9563 -15.9563 -15.7904 -15.7904 -15.7825 -15.7825 -0.4055 -0.4055 -0.4040 -0.4040 1.6782 1.6782 1.7721 1.7721 1.7762 1.7762 3.2135 3.2135 5.5834 5.5834 8.0247 8.0247 8.1131 8.1131 8.1463 8.1463 10.1262 10.1262 10.8109 10.8109 10.8778 10.8778 13.2490 13.2490 13.2635 13.2635 13.2955 13.2955 13.3147 13.3147 13.3477 13.3477 k = 0.4100 0.5000 0.4100 ( 3812 PWs) bands (ev): -37.4954 -37.4954 -37.4933 -37.4933 -37.4911 -37.4911 -16.5811 -16.5811 -16.5550 -16.5550 -16.5510 -16.5510 -16.1805 -16.1805 -16.0806 -16.0806 -15.9622 -15.9622 -15.9568 -15.9568 -15.7931 -15.7931 -15.7832 -15.7832 -0.4054 -0.4054 -0.4035 -0.4035 1.6795 1.6795 1.7714 1.7714 1.7765 1.7765 3.1898 3.1898 5.5798 5.5798 8.0241 8.0241 8.1330 8.1330 8.1741 8.1741 10.1240 10.1240 10.7925 10.7925 10.8754 10.8754 13.2383 13.2383 13.2553 13.2553 13.3093 13.3093 13.3324 13.3324 13.3656 13.3656 k = 0.4000 0.5000 0.4000 ( 3812 PWs) bands (ev): -37.4959 -37.4959 -37.4933 -37.4933 -37.4906 -37.4906 -16.5792 -16.5792 -16.5544 -16.5544 -16.5492 -16.5492 -16.1787 -16.1787 -16.0804 -16.0804 -15.9640 -15.9640 -15.9575 -15.9575 -15.7961 -15.7961 -15.7841 -15.7841 -0.4052 -0.4052 -0.4029 -0.4029 1.6809 1.6809 1.7706 1.7706 1.7768 1.7768 3.1639 3.1639 5.5754 5.5754 8.0242 8.0242 8.1545 8.1545 8.2053 8.2053 10.1217 10.1217 10.7735 10.7735 10.8735 10.8735 13.2262 13.2262 13.2454 13.2454 13.3241 13.3241 13.3509 13.3509 13.3840 13.3840 k = 0.3900 0.5000 0.3900 ( 3818 PWs) bands (ev): -37.4965 -37.4965 -37.4933 -37.4933 -37.4901 -37.4901 -16.5773 -16.5773 -16.5537 -16.5537 -16.5472 -16.5472 -16.1768 -16.1768 -16.0801 -16.0801 -15.9661 -15.9661 -15.9582 -15.9582 -15.7993 -15.7993 -15.7850 -15.7850 -0.4051 -0.4051 -0.4024 -0.4024 1.6825 1.6825 1.7697 1.7697 1.7771 1.7771 3.1359 3.1359 5.5700 5.5700 8.0253 8.0253 8.1775 8.1775 8.2396 8.2396 10.1194 10.1194 10.7542 10.7542 10.8723 10.8723 13.2127 13.2127 13.2339 13.2339 13.3398 13.3398 13.3693 13.3693 13.4023 13.4023 k = 0.3800 0.5000 0.3800 ( 3822 PWs) bands (ev): -37.4971 -37.4971 -37.4933 -37.4933 -37.4895 -37.4895 -16.5753 -16.5753 -16.5529 -16.5529 -16.5450 -16.5450 -16.1747 -16.1747 -16.0797 -16.0797 -15.9683 -15.9683 -15.9589 -15.9589 -15.8027 -15.8027 -15.7859 -15.7859 -0.4049 -0.4049 -0.4018 -0.4018 1.6841 1.6841 1.7688 1.7688 1.7773 1.7773 3.1059 3.1059 5.5634 5.5634 8.0277 8.0277 8.2019 8.2019 8.2769 8.2769 10.1169 10.1169 10.7351 10.7351 10.8718 10.8718 13.1978 13.1978 13.2208 13.2208 13.3564 13.3564 13.3874 13.3874 13.4199 13.4199 k = 0.3700 0.5000 0.3700 ( 3820 PWs) bands (ev): -37.4977 -37.4977 -37.4933 -37.4933 -37.4889 -37.4889 -16.5735 -16.5735 -16.5521 -16.5521 -16.5424 -16.5424 -16.1724 -16.1724 -16.0793 -16.0793 -15.9706 -15.9706 -15.9598 -15.9598 -15.8063 -15.8063 -15.7869 -15.7869 -0.4047 -0.4047 -0.4012 -0.4012 1.6858 1.6858 1.7678 1.7678 1.7776 1.7776 3.0743 3.0743 5.5556 5.5556 8.0316 8.0316 8.2275 8.2275 8.3172 8.3172 10.1144 10.1144 10.7167 10.7167 10.8723 10.8723 13.1816 13.1816 13.2063 13.2063 13.3741 13.3741 13.4047 13.4047 13.4363 13.4363 k = 0.3600 0.5000 0.3600 ( 3816 PWs) bands (ev): -37.4984 -37.4984 -37.4933 -37.4933 -37.4882 -37.4882 -16.5717 -16.5717 -16.5512 -16.5512 -16.5396 -16.5396 -16.1700 -16.1700 -16.0789 -16.0789 -15.9730 -15.9730 -15.9606 -15.9606 -15.8100 -15.8100 -15.7880 -15.7880 -0.4046 -0.4046 -0.4006 -0.4006 1.6876 1.6876 1.7667 1.7667 1.7779 1.7779 3.0410 3.0410 5.5464 5.5464 8.0373 8.0373 8.2543 8.2543 8.3604 8.3604 10.1117 10.1117 10.6993 10.6993 10.8738 10.8738 13.1640 13.1640 13.1904 13.1904 13.3927 13.3927 13.4210 13.4210 13.4511 13.4511 k = 0.3500 0.5000 0.3500 ( 3816 PWs) bands (ev): -37.4991 -37.4991 -37.4933 -37.4933 -37.4876 -37.4876 -16.5700 -16.5700 -16.5502 -16.5502 -16.5366 -16.5366 -16.1674 -16.1674 -16.0783 -16.0783 -15.9756 -15.9756 -15.9616 -15.9616 -15.8140 -15.8140 -15.7892 -15.7892 -0.4044 -0.4044 -0.3999 -0.3999 1.6895 1.6895 1.7656 1.7656 1.7781 1.7781 3.0063 3.0063 5.5358 5.5358 8.0451 8.0451 8.2818 8.2818 8.4063 8.4063 10.1087 10.1087 10.6832 10.6832 10.8764 10.8764 13.1450 13.1450 13.1731 13.1731 13.4124 13.4124 13.4360 13.4360 13.4638 13.4638 k = 0.3400 0.5000 0.3400 ( 3812 PWs) bands (ev): -37.4998 -37.4998 -37.4933 -37.4933 -37.4868 -37.4868 -16.5685 -16.5685 -16.5491 -16.5491 -16.5334 -16.5334 -16.1647 -16.1647 -16.0777 -16.0777 -15.9783 -15.9783 -15.9626 -15.9626 -15.8180 -15.8180 -15.7904 -15.7904 -0.4043 -0.4043 -0.3993 -0.3993 1.6914 1.6914 1.7644 1.7644 1.7783 1.7783 2.9704 2.9704 5.5236 5.5236 8.0552 8.0552 8.3101 8.3101 8.4548 8.4548 10.1055 10.1055 10.6690 10.6690 10.8802 10.8802 13.1246 13.1246 13.1544 13.1544 13.4329 13.4329 13.4497 13.4497 13.4744 13.4744 k = 0.3300 0.5000 0.3300 ( 3818 PWs) bands (ev): -37.5006 -37.5006 -37.4933 -37.4933 -37.4861 -37.4861 -16.5671 -16.5671 -16.5479 -16.5479 -16.5299 -16.5299 -16.1619 -16.1619 -16.0771 -16.0771 -15.9810 -15.9810 -15.9636 -15.9636 -15.8221 -15.8221 -15.7916 -15.7916 -0.4041 -0.4041 -0.3987 -0.3987 1.6933 1.6933 1.7631 1.7631 1.7784 1.7784 2.9334 2.9334 5.5098 5.5098 8.0678 8.0678 8.3389 8.3389 8.5058 8.5058 10.1018 10.1018 10.6568 10.6568 10.8852 10.8852 13.1026 13.1026 13.1345 13.1345 13.4537 13.4537 13.4618 13.4618 13.4833 13.4833 k = 0.3200 0.5000 0.3200 ( 3814 PWs) bands (ev): -37.5014 -37.5014 -37.4934 -37.4934 -37.4853 -37.4853 -16.5658 -16.5658 -16.5467 -16.5467 -16.5263 -16.5263 -16.1590 -16.1590 -16.0764 -16.0764 -15.9838 -15.9838 -15.9647 -15.9647 -15.8263 -15.8263 -15.7929 -15.7929 -0.4040 -0.4040 -0.3981 -0.3981 1.6952 1.6952 1.7619 1.7619 1.7785 1.7785 2.8956 2.8956 5.4945 5.4945 8.0831 8.0831 8.3681 8.3681 8.5592 8.5592 10.0976 10.0976 10.6469 10.6469 10.8915 10.8915 13.0789 13.0789 13.1134 13.1134 13.4718 13.4718 13.4728 13.4728 13.4931 13.4931 k = 0.3100 0.5000 0.3100 ( 3818 PWs) bands (ev): -37.5022 -37.5022 -37.4934 -37.4934 -37.4845 -37.4845 -16.5647 -16.5647 -16.5454 -16.5454 -16.5226 -16.5226 -16.1560 -16.1560 -16.0756 -16.0756 -15.9867 -15.9867 -15.9659 -15.9659 -15.8306 -15.8306 -15.7943 -15.7943 -0.4039 -0.4039 -0.3976 -0.3976 1.6971 1.6971 1.7605 1.7605 1.7785 1.7785 2.8570 2.8570 5.4775 5.4775 8.1012 8.1012 8.3972 8.3972 8.6148 8.6148 10.0927 10.0927 10.6397 10.6397 10.8990 10.8990 13.0535 13.0535 13.0912 13.0912 13.4787 13.4787 13.4845 13.4845 13.5104 13.5104 k = 0.3000 0.5000 0.3000 ( 3814 PWs) bands (ev): -37.5030 -37.5030 -37.4934 -37.4934 -37.4837 -37.4837 -16.5638 -16.5638 -16.5440 -16.5440 -16.5188 -16.5188 -16.1529 -16.1529 -16.0747 -16.0747 -15.9895 -15.9895 -15.9671 -15.9671 -15.8348 -15.8348 -15.7956 -15.7956 -0.4038 -0.4038 -0.3971 -0.3971 1.6991 1.6991 1.7592 1.7592 1.7784 1.7784 2.8179 2.8179 5.4590 5.4590 8.1222 8.1222 8.4264 8.4264 8.6725 8.6725 10.0874 10.0874 10.6353 10.6353 10.9078 10.9078 13.0262 13.0262 13.0682 13.0682 13.4804 13.4804 13.4924 13.4924 13.5339 13.5339 k = 0.2900 0.5000 0.2900 ( 3824 PWs) bands (ev): -37.5039 -37.5039 -37.4934 -37.4934 -37.4829 -37.4829 -16.5629 -16.5629 -16.5426 -16.5426 -16.5149 -16.5149 -16.1498 -16.1498 -16.0738 -16.0738 -15.9922 -15.9922 -15.9684 -15.9684 -15.8392 -15.8392 -15.7971 -15.7971 -0.4039 -0.4039 -0.3966 -0.3966 1.7010 1.7010 1.7577 1.7577 1.7782 1.7782 2.7783 2.7783 5.4390 5.4390 8.1462 8.1462 8.4554 8.4554 8.7321 8.7321 10.0815 10.0815 10.6336 10.6336 10.9178 10.9178 12.9969 12.9969 13.0443 13.0443 13.4782 13.4782 13.4991 13.4991 13.5599 13.5599 k = 0.2800 0.5000 0.2800 ( 3820 PWs) bands (ev): -37.5048 -37.5048 -37.4934 -37.4934 -37.4820 -37.4820 -16.5622 -16.5622 -16.5410 -16.5410 -16.5110 -16.5110 -16.1466 -16.1466 -16.0729 -16.0729 -15.9949 -15.9949 -15.9697 -15.9697 -15.8435 -15.8435 -15.7985 -15.7985 -0.4038 -0.4038 -0.3961 -0.3961 1.7029 1.7029 1.7563 1.7563 1.7780 1.7780 2.7386 2.7386 5.4177 5.4177 8.1732 8.1732 8.4840 8.4840 8.7936 8.7936 10.0753 10.0753 10.6349 10.6349 10.9291 10.9291 12.9655 12.9655 13.0198 13.0198 13.4735 13.4735 13.5048 13.5048 13.5875 13.5875 k = 0.2700 0.5000 0.2700 ( 3832 PWs) bands (ev): -37.5056 -37.5056 -37.4934 -37.4934 -37.4812 -37.4812 -16.5617 -16.5617 -16.5395 -16.5395 -16.5072 -16.5072 -16.1435 -16.1435 -16.0720 -16.0720 -15.9974 -15.9974 -15.9710 -15.9710 -15.8478 -15.8478 -15.8000 -15.8000 -0.4039 -0.4039 -0.3956 -0.3956 1.7048 1.7048 1.7548 1.7548 1.7777 1.7777 2.6987 2.6987 5.3950 5.3950 8.2032 8.2032 8.5119 8.5119 8.8566 8.8566 10.0689 10.0689 10.6388 10.6388 10.9415 10.9415 12.9320 12.9320 12.9949 12.9949 13.4669 13.4669 13.5096 13.5096 13.6163 13.6163 k = 0.2600 0.5000 0.2600 ( 3828 PWs) bands (ev): -37.5065 -37.5065 -37.4934 -37.4934 -37.4803 -37.4803 -16.5612 -16.5612 -16.5378 -16.5378 -16.5034 -16.5034 -16.1403 -16.1403 -16.0710 -16.0710 -15.9997 -15.9997 -15.9724 -15.9724 -15.8521 -15.8521 -15.8014 -15.8014 -0.4040 -0.4040 -0.3952 -0.3952 1.7066 1.7066 1.7533 1.7533 1.7773 1.7773 2.6589 2.6589 5.3713 5.3713 8.2360 8.2360 8.5391 8.5391 8.9210 8.9210 10.0624 10.0624 10.6453 10.6453 10.9551 10.9551 12.8963 12.8963 12.9697 12.9697 13.4589 13.4589 13.5136 13.5136 13.6463 13.6463 k = 0.2500 0.5000 0.2500 ( 3832 PWs) bands (ev): -37.5074 -37.5074 -37.4935 -37.4935 -37.4795 -37.4795 -16.5609 -16.5609 -16.5361 -16.5361 -16.4997 -16.4997 -16.1371 -16.1371 -16.0701 -16.0701 -16.0019 -16.0019 -15.9739 -15.9739 -15.8564 -15.8564 -15.8029 -15.8029 -0.4041 -0.4041 -0.3948 -0.3948 1.7084 1.7084 1.7518 1.7518 1.7768 1.7768 2.6194 2.6194 5.3467 5.3467 8.2715 8.2715 8.5655 8.5655 8.9867 8.9867 10.0563 10.0563 10.6541 10.6541 10.9698 10.9698 12.8585 12.8585 12.9443 12.9443 13.4499 13.4499 13.5170 13.5170 13.6774 13.6774 k = 0.2400 0.5000 0.2400 ( 3812 PWs) bands (ev): -37.5083 -37.5083 -37.4935 -37.4935 -37.4786 -37.4786 -16.5607 -16.5607 -16.5344 -16.5344 -16.4960 -16.4960 -16.1339 -16.1339 -16.0693 -16.0693 -16.0036 -16.0036 -15.9752 -15.9752 -15.8605 -15.8605 -15.8043 -15.8043 -0.4042 -0.4042 -0.3943 -0.3943 1.7103 1.7103 1.7503 1.7503 1.7763 1.7763 2.5802 2.5802 5.3212 5.3212 8.3096 8.3096 8.5909 8.5909 9.0534 9.0534 10.0508 10.0508 10.6650 10.6650 10.9855 10.9855 12.8187 12.8187 12.9191 12.9191 13.4402 13.4402 13.5201 13.5201 13.7095 13.7095 k = 0.2300 0.5000 0.2300 ( 3812 PWs) bands (ev): -37.5092 -37.5092 -37.4935 -37.4935 -37.4777 -37.4777 -16.5606 -16.5606 -16.5326 -16.5326 -16.4925 -16.4925 -16.1308 -16.1308 -16.0685 -16.0685 -16.0051 -16.0051 -15.9767 -15.9767 -15.8647 -15.8647 -15.8057 -15.8057 -0.4044 -0.4044 -0.3940 -0.3940 1.7120 1.7120 1.7488 1.7488 1.7757 1.7757 2.5415 2.5415 5.2952 5.2952 8.3498 8.3498 8.6151 8.6151 9.1208 9.1208 10.0460 10.0460 10.6777 10.6777 11.0020 11.0020 12.7768 12.7768 12.8940 12.8940 13.4303 13.4303 13.5229 13.5229 13.7426 13.7426 k = 0.2200 0.5000 0.2200 ( 3806 PWs) bands (ev): -37.5101 -37.5101 -37.4935 -37.4935 -37.4769 -37.4769 -16.5606 -16.5606 -16.5308 -16.5308 -16.4891 -16.4891 -16.1278 -16.1278 -16.0679 -16.0679 -16.0062 -16.0062 -15.9781 -15.9781 -15.8688 -15.8688 -15.8071 -15.8071 -0.4047 -0.4047 -0.3936 -0.3936 1.7137 1.7137 1.7473 1.7473 1.7751 1.7751 2.5033 2.5033 5.2688 5.2688 8.3921 8.3921 8.6381 8.6381 9.1889 9.1889 10.0423 10.0423 10.6918 10.6918 11.0192 11.0192 12.7333 12.7333 12.8693 12.8693 13.4203 13.4203 13.5257 13.5257 13.7765 13.7765 k = 0.2100 0.5000 0.2100 ( 3806 PWs) bands (ev): -37.5109 -37.5109 -37.4935 -37.4935 -37.4760 -37.4760 -16.5607 -16.5607 -16.5289 -16.5289 -16.4859 -16.4859 -16.1249 -16.1249 -16.0674 -16.0674 -16.0069 -16.0069 -15.9796 -15.9796 -15.8728 -15.8728 -15.8085 -15.8085 -0.4050 -0.4050 -0.3933 -0.3933 1.7153 1.7153 1.7458 1.7458 1.7744 1.7744 2.4659 2.4659 5.2422 5.2422 8.4360 8.4360 8.6599 8.6599 9.2572 9.2572 10.0400 10.0400 10.7071 10.7071 11.0371 11.0371 12.6881 12.6881 12.8450 12.8450 13.4104 13.4104 13.5289 13.5289 13.8113 13.8113 k = 0.2000 0.5000 0.2000 ( 3798 PWs) bands (ev): -37.5118 -37.5118 -37.4935 -37.4935 -37.4752 -37.4752 -16.5609 -16.5609 -16.5271 -16.5271 -16.4828 -16.4828 -16.1221 -16.1221 -16.0670 -16.0670 -16.0072 -16.0072 -15.9810 -15.9810 -15.8767 -15.8767 -15.8099 -15.8099 -0.4053 -0.4053 -0.3930 -0.3930 1.7169 1.7169 1.7443 1.7443 1.7737 1.7737 2.4293 2.4293 5.2156 5.2156 8.4810 8.4810 8.6807 8.6807 9.3257 9.3257 10.0392 10.0392 10.7232 10.7232 11.0555 11.0555 12.6416 12.6416 12.8215 12.8215 13.4008 13.4008 13.5327 13.5327 13.8468 13.8468 k = 0.1900 0.5000 0.1900 ( 3802 PWs) bands (ev): -37.5126 -37.5126 -37.4936 -37.4936 -37.4744 -37.4744 -16.5612 -16.5612 -16.5253 -16.5253 -16.4800 -16.4800 -16.1194 -16.1194 -16.0668 -16.0668 -16.0072 -16.0072 -15.9822 -15.9822 -15.8806 -15.8806 -15.8112 -15.8112 -0.4057 -0.4057 -0.3928 -0.3928 1.7185 1.7185 1.7428 1.7428 1.7730 1.7730 2.3936 2.3936 5.1891 5.1891 8.5263 8.5263 8.7008 8.7008 9.3938 9.3938 10.0400 10.0400 10.7398 10.7398 11.0740 11.0740 12.5941 12.5941 12.7986 12.7986 13.3915 13.3915 13.5373 13.5373 13.8829 13.8829 k = 0.1800 0.5000 0.1800 ( 3806 PWs) bands (ev): -37.5134 -37.5134 -37.4936 -37.4936 -37.4736 -37.4736 -16.5616 -16.5616 -16.5234 -16.5234 -16.4773 -16.4773 -16.1169 -16.1169 -16.0667 -16.0667 -16.0069 -16.0069 -15.9834 -15.9834 -15.8844 -15.8844 -15.8125 -15.8125 -0.4062 -0.4062 -0.3925 -0.3925 1.7200 1.7200 1.7413 1.7413 1.7722 1.7722 2.3589 2.3589 5.1630 5.1630 8.5711 8.5711 8.7208 8.7208 9.4615 9.4615 10.0426 10.0426 10.7567 10.7567 11.0927 11.0927 12.5458 12.5458 12.7767 12.7767 13.3827 13.3827 13.5431 13.5431 13.9195 13.9195 k = 0.1700 0.5000 0.1700 ( 3810 PWs) bands (ev): -37.5142 -37.5142 -37.4936 -37.4936 -37.4728 -37.4728 -16.5621 -16.5621 -16.5216 -16.5216 -16.4748 -16.4748 -16.1146 -16.1146 -16.0667 -16.0667 -16.0066 -16.0066 -15.9842 -15.9842 -15.8882 -15.8882 -15.8137 -15.8137 -0.4067 -0.4067 -0.3923 -0.3923 1.7215 1.7215 1.7398 1.7398 1.7715 1.7715 2.3253 2.3253 5.1374 5.1374 8.6136 8.6136 8.7421 8.7421 9.5284 9.5284 10.0471 10.0471 10.7736 10.7736 11.1112 11.1112 12.4971 12.4971 12.7558 12.7558 13.3743 13.3743 13.5503 13.5503 13.9565 13.9565 k = 0.1600 0.5000 0.1600 ( 3810 PWs) bands (ev): -37.5150 -37.5150 -37.4936 -37.4936 -37.4721 -37.4721 -16.5626 -16.5626 -16.5198 -16.5198 -16.4725 -16.4725 -16.1125 -16.1125 -16.0666 -16.0666 -16.0063 -16.0063 -15.9846 -15.9846 -15.8919 -15.8919 -15.8148 -15.8148 -0.4072 -0.4072 -0.3921 -0.3921 1.7230 1.7230 1.7384 1.7384 1.7708 1.7708 2.2930 2.2930 5.1125 5.1125 8.6513 8.6513 8.7668 8.7668 9.5942 9.5942 10.0534 10.0534 10.7903 10.7903 11.1294 11.1294 12.4484 12.4484 12.7360 12.7360 13.3664 13.3664 13.5592 13.5592 13.9937 13.9937 k = 0.1500 0.5000 0.1500 ( 3808 PWs) bands (ev): -37.5157 -37.5157 -37.4936 -37.4936 -37.4714 -37.4714 -16.5632 -16.5632 -16.5181 -16.5181 -16.4705 -16.4705 -16.1106 -16.1106 -16.0664 -16.0664 -16.0063 -16.0063 -15.9845 -15.9845 -15.8954 -15.8954 -15.8159 -15.8159 -0.4077 -0.4077 -0.3919 -0.3919 1.7244 1.7244 1.7370 1.7370 1.7701 1.7701 2.2620 2.2620 5.0884 5.0884 8.6816 8.6816 8.7974 8.7974 9.6585 9.6585 10.0615 10.0615 10.8066 10.8066 11.1471 11.1471 12.3999 12.3999 12.7173 12.7173 13.3590 13.3590 13.5700 13.5700 14.0309 14.0309 k = 0.1400 0.5000 0.1400 ( 3804 PWs) bands (ev): -37.5164 -37.5164 -37.4936 -37.4936 -37.4707 -37.4707 -16.5638 -16.5638 -16.5163 -16.5163 -16.4685 -16.4685 -16.1090 -16.1090 -16.0660 -16.0660 -16.0067 -16.0067 -15.9837 -15.9837 -15.8990 -15.8990 -15.8169 -15.8169 -0.4082 -0.4082 -0.3917 -0.3917 1.7257 1.7257 1.7358 1.7358 1.7696 1.7696 2.2324 2.2324 5.0653 5.0653 8.7035 8.7035 8.8343 8.8343 9.7211 9.7211 10.0711 10.0711 10.8222 10.8222 11.1640 11.1640 12.3520 12.3520 12.6999 12.6999 13.3521 13.3521 13.5830 13.5830 14.0680 14.0680 k = 0.1300 0.5000 0.1300 ( 3816 PWs) bands (ev): -37.5171 -37.5171 -37.4936 -37.4936 -37.4700 -37.4700 -16.5644 -16.5644 -16.5147 -16.5147 -16.4669 -16.4669 -16.1076 -16.1076 -16.0655 -16.0655 -16.0076 -16.0076 -15.9824 -15.9824 -15.9025 -15.9025 -15.8179 -15.8179 -0.4088 -0.4088 -0.3916 -0.3916 1.7268 1.7268 1.7347 1.7347 1.7690 1.7690 2.2042 2.2042 5.0433 5.0433 8.7187 8.7187 8.8757 8.8757 9.7815 9.7815 10.0822 10.0822 10.8370 10.8370 11.1800 11.1800 12.3051 12.3051 12.6837 12.6837 13.3457 13.3457 13.5983 13.5983 14.1046 14.1046 k = 0.1200 0.5000 0.1200 ( 3808 PWs) bands (ev): -37.5177 -37.5177 -37.4936 -37.4936 -37.4694 -37.4694 -16.5651 -16.5651 -16.5130 -16.5130 -16.4654 -16.4654 -16.1065 -16.1065 -16.0646 -16.0646 -16.0088 -16.0088 -15.9805 -15.9805 -15.9059 -15.9059 -15.8188 -15.8188 -0.4094 -0.4094 -0.3914 -0.3914 1.7276 1.7276 1.7341 1.7341 1.7686 1.7686 2.1777 2.1777 5.0225 5.0225 8.7293 8.7293 8.9193 8.9193 9.8395 9.8395 10.0946 10.0946 10.8509 10.8509 11.1950 11.1950 12.2595 12.2595 12.6689 12.6689 13.3397 13.3397 13.6161 13.6161 14.1405 14.1405 k = 0.1100 0.5000 0.1100 ( 3816 PWs) bands (ev): -37.5183 -37.5183 -37.4937 -37.4937 -37.4688 -37.4688 -16.5658 -16.5658 -16.5115 -16.5115 -16.4640 -16.4640 -16.1057 -16.1057 -16.0635 -16.0635 -16.0105 -16.0105 -15.9782 -15.9782 -15.9092 -15.9092 -15.8196 -15.8196 -0.4099 -0.4099 -0.3913 -0.3913 1.7276 1.7276 1.7342 1.7342 1.7682 1.7682 2.1527 2.1527 5.0030 5.0030 8.7367 8.7367 8.9632 8.9632 9.8946 9.8946 10.1078 10.1078 10.8637 10.8637 11.2086 11.2086 12.2156 12.2156 12.6554 12.6554 13.3342 13.3342 13.6364 13.6364 14.1753 14.1753 k = 0.1000 0.5000 0.1000 ( 3828 PWs) bands (ev): -37.5188 -37.5188 -37.4937 -37.4937 -37.4683 -37.4683 -16.5665 -16.5665 -16.5101 -16.5101 -16.4628 -16.4628 -16.1051 -16.1051 -16.0622 -16.0622 -16.0124 -16.0124 -15.9756 -15.9756 -15.9125 -15.9125 -15.8203 -15.8203 -0.4105 -0.4105 -0.3912 -0.3912 1.7271 1.7271 1.7349 1.7349 1.7678 1.7678 2.1294 2.1294 4.9849 4.9849 8.7420 8.7420 9.0061 9.0061 9.9465 9.9465 10.1217 10.1217 10.8753 10.8753 11.2210 11.2210 12.1737 12.1737 12.6432 12.6432 13.3292 13.3292 13.6592 13.6592 14.2086 14.2086 k = 0.0900 0.5000 0.0900 ( 3820 PWs) bands (ev): -37.5193 -37.5193 -37.4937 -37.4937 -37.4678 -37.4678 -16.5671 -16.5671 -16.5087 -16.5087 -16.4618 -16.4618 -16.1047 -16.1047 -16.0605 -16.0605 -16.0145 -16.0145 -15.9727 -15.9727 -15.9158 -15.9158 -15.8209 -15.8209 -0.4110 -0.4110 -0.3911 -0.3911 1.7263 1.7263 1.7361 1.7361 1.7676 1.7676 2.1079 2.1079 4.9684 4.9684 8.7458 8.7458 9.0474 9.0474 9.9948 9.9948 10.1359 10.1359 10.8857 10.8857 11.2320 11.2320 12.1342 12.1342 12.6324 12.6324 13.3247 13.3247 13.6843 13.6843 14.2402 14.2402 k = 0.0800 0.5000 0.0800 ( 3810 PWs) bands (ev): -37.5198 -37.5198 -37.4937 -37.4937 -37.4674 -37.4674 -16.5677 -16.5677 -16.5074 -16.5074 -16.4608 -16.4608 -16.1044 -16.1044 -16.0587 -16.0587 -16.0167 -16.0167 -15.9697 -15.9697 -15.9189 -15.9189 -15.8215 -15.8215 -0.4114 -0.4114 -0.3909 -0.3909 1.7254 1.7254 1.7375 1.7375 1.7675 1.7675 2.0884 2.0884 4.9534 4.9534 8.7483 8.7483 9.0862 9.0862 10.0393 10.0393 10.1501 10.1501 10.8948 10.8948 11.2416 11.2416 12.0977 12.0977 12.6229 12.6229 13.3206 13.3206 13.7115 13.7115 14.2695 14.2695 k = 0.0700 0.5000 0.0700 ( 3802 PWs) bands (ev): -37.5202 -37.5202 -37.4937 -37.4937 -37.4670 -37.4670 -16.5683 -16.5683 -16.5063 -16.5063 -16.4601 -16.4601 -16.1043 -16.1043 -16.0566 -16.0566 -16.0191 -16.0191 -15.9666 -15.9666 -15.9221 -15.9221 -15.8219 -15.8219 -0.4119 -0.4119 -0.3908 -0.3908 1.7245 1.7245 1.7390 1.7390 1.7675 1.7675 2.0708 2.0708 4.9400 4.9400 8.7500 8.7500 9.1219 9.1219 10.0793 10.0793 10.1638 10.1638 10.9028 10.9028 11.2500 11.2500 12.0641 12.0641 12.6146 12.6146 13.3170 13.3170 13.7404 13.7404 14.2608 14.2619 k = 0.0600 0.5000 0.0600 ( 3816 PWs) bands (ev): -37.5205 -37.5205 -37.4937 -37.4937 -37.4666 -37.4666 -16.5688 -16.5688 -16.5053 -16.5053 -16.4595 -16.4595 -16.1043 -16.1043 -16.0543 -16.0543 -16.0216 -16.0216 -15.9635 -15.9635 -15.9253 -15.9253 -15.8224 -15.8224 -0.4123 -0.4123 -0.3908 -0.3908 1.7235 1.7235 1.7404 1.7404 1.7674 1.7674 2.0552 2.0552 4.9283 4.9283 8.7510 8.7510 9.1539 9.1539 10.1148 10.1148 10.1766 10.1766 10.9094 10.9094 11.2569 11.2569 12.0340 12.0340 12.6076 12.6076 13.3138 13.3138 13.7703 13.7703 14.2446 14.2450 k = 0.0500 0.5000 0.0500 ( 3812 PWs) bands (ev): -37.5208 -37.5208 -37.4937 -37.4937 -37.4663 -37.4663 -16.5693 -16.5693 -16.5044 -16.5044 -16.4590 -16.4590 -16.1043 -16.1043 -16.0520 -16.0520 -16.0241 -16.0241 -15.9604 -15.9604 -15.9284 -15.9284 -15.8227 -15.8227 -0.4126 -0.4126 -0.3907 -0.3907 1.7228 1.7228 1.7417 1.7417 1.7675 1.7675 2.0418 2.0418 4.9183 4.9183 8.7515 8.7515 9.1820 9.1820 10.1453 10.1453 10.1884 10.1884 10.9148 10.9148 11.2626 11.2626 12.0079 12.0079 12.6017 12.6017 13.3111 13.3111 13.8007 13.8007 14.2294 14.2294 k = 0.0400 0.5000 0.0400 ( 3816 PWs) bands (ev): -37.5211 -37.5211 -37.4937 -37.4937 -37.4661 -37.4661 -16.5697 -16.5697 -16.5037 -16.5037 -16.4586 -16.4586 -16.1044 -16.1044 -16.0495 -16.0495 -16.0267 -16.0267 -15.9572 -15.9572 -15.9315 -15.9315 -15.8230 -15.8230 -0.4130 -0.4130 -0.3907 -0.3907 1.7221 1.7221 1.7428 1.7428 1.7675 1.7675 2.0307 2.0307 4.9101 4.9101 8.7518 8.7518 9.2056 9.2056 10.1705 10.1705 10.1988 10.1988 10.9191 10.9191 11.2671 11.2671 11.9861 11.9861 12.5970 12.5970 13.3089 13.3089 13.8302 13.8302 14.2152 14.2152 k = 0.0300 0.5000 0.0300 ( 3824 PWs) bands (ev): -37.5213 -37.5213 -37.4937 -37.4937 -37.4659 -37.4659 -16.5700 -16.5700 -16.5031 -16.5031 -16.4583 -16.4583 -16.1045 -16.1045 -16.0471 -16.0471 -16.0293 -16.0293 -15.9541 -15.9541 -15.9345 -15.9345 -15.8232 -15.8232 -0.4132 -0.4132 -0.3906 -0.3906 1.7215 1.7215 1.7438 1.7438 1.7676 1.7676 2.0218 2.0218 4.9036 4.9036 8.7518 8.7518 9.2243 9.2243 10.1900 10.1900 10.2075 10.2075 10.9223 10.9223 11.2704 11.2704 11.9687 11.9687 12.5934 12.5934 13.3071 13.3071 13.8574 13.8574 14.2016 14.2016 k = 0.0200 0.5000 0.0200 ( 3816 PWs) bands (ev): -37.5214 -37.5214 -37.4937 -37.4937 -37.4658 -37.4658 -16.5702 -16.5702 -16.5027 -16.5027 -16.4580 -16.4580 -16.1046 -16.1046 -16.0447 -16.0447 -16.0318 -16.0318 -15.9511 -15.9511 -15.9374 -15.9374 -15.8233 -15.8233 -0.4134 -0.4134 -0.3906 -0.3906 1.7211 1.7211 1.7445 1.7445 1.7677 1.7677 2.0155 2.0155 4.8990 4.8990 8.7518 8.7518 9.2379 9.2379 10.2034 10.2034 10.2146 10.2146 10.9245 10.9245 11.2728 11.2728 11.9561 11.9561 12.5909 12.5909 13.3059 13.3059 13.8802 13.8802 14.1892 14.1892 k = 0.0100 0.5000 0.0100 ( 3804 PWs) bands (ev): -37.5215 -37.5215 -37.4937 -37.4937 -37.4657 -37.4657 -16.5704 -16.5704 -16.5024 -16.5024 -16.4579 -16.4579 -16.1046 -16.1046 -16.0426 -16.0426 -16.0339 -16.0339 -15.9483 -15.9483 -15.9401 -15.9401 -15.8233 -15.8233 -0.4134 -0.4134 -0.3905 -0.3905 1.7209 1.7209 1.7450 1.7450 1.7678 1.7678 2.0116 2.0116 4.8963 4.8963 8.7517 8.7517 9.2462 9.2462 10.2106 10.2106 10.2200 10.2200 10.9259 10.9259 11.2743 11.2743 11.9486 11.9486 12.5895 12.5895 13.3051 13.3051 13.8956 13.8956 14.1800 14.1800 k = 0.0000 0.5000-0.0000 ( 3804 PWs) bands (ev): -37.5215 -37.5215 -37.4937 -37.4937 -37.4657 -37.4657 -16.5704 -16.5704 -16.5023 -16.5023 -16.4578 -16.4578 -16.1046 -16.1046 -16.0416 -16.0416 -16.0349 -16.0349 -15.9468 -15.9468 -15.9416 -15.9416 -15.8233 -15.8233 -0.4135 -0.4135 -0.3905 -0.3905 1.7208 1.7208 1.7452 1.7452 1.7679 1.7679 2.0103 2.0103 4.8954 4.8954 8.7517 8.7517 9.2490 9.2490 10.2127 10.2127 10.2220 10.2220 10.9263 10.9263 11.2747 11.2747 11.9461 11.9461 12.5889 12.5889 13.3049 13.3049 13.9012 13.9012 14.1765 14.1765 k = 0.5000 0.5000-0.0000 ( 3836 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5459 -16.5459 -16.5217 -16.5217 -16.5045 -16.5045 -16.1039 -16.1039 -16.0660 -16.0660 -16.0425 -16.0425 -15.9380 -15.9380 -15.9318 -15.9318 -15.7896 -15.7896 -0.3977 -0.3977 -0.3929 -0.3929 1.7026 1.7026 1.7529 1.7529 1.7988 1.7988 2.6942 2.6942 5.5563 5.5563 7.7928 7.7928 7.9082 7.9082 9.6563 9.6563 10.1325 10.1325 10.4754 10.4754 11.0981 11.0981 13.1197 13.1197 13.1291 13.1291 13.1934 13.1934 13.2072 13.2072 14.0039 14.0046 k = 0.5000 0.5000 0.0143 ( 3836 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5459 -16.5459 -16.5218 -16.5218 -16.5046 -16.5046 -16.1043 -16.1043 -16.0661 -16.0661 -16.0421 -16.0421 -15.9398 -15.9398 -15.9296 -15.9296 -15.7896 -15.7896 -0.3977 -0.3977 -0.3929 -0.3929 1.7026 1.7026 1.7529 1.7529 1.7987 1.7987 2.6952 2.6952 5.5563 5.5563 7.7934 7.7934 7.9086 7.9086 9.6528 9.6528 10.1321 10.1321 10.4755 10.4755 11.0975 11.0975 13.1195 13.1195 13.1284 13.1284 13.1956 13.1956 13.2089 13.2089 14.0023 14.0027 k = 0.5000 0.5000 0.0286 ( 3824 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5460 -16.5460 -16.5222 -16.5222 -16.5050 -16.5050 -16.1056 -16.1056 -16.0662 -16.0662 -16.0408 -16.0408 -15.9429 -15.9429 -15.9255 -15.9255 -15.7895 -15.7895 -0.3976 -0.3976 -0.3930 -0.3930 1.7025 1.7025 1.7531 1.7531 1.7985 1.7985 2.6983 2.6983 5.5565 5.5565 7.7952 7.7952 7.9098 7.9098 9.6425 9.6425 10.1312 10.1312 10.4761 10.4761 11.0960 11.0960 13.1191 13.1191 13.1267 13.1267 13.2019 13.2019 13.2138 13.2138 13.9982 14.0001 k = 0.5000 0.5000 0.0429 ( 3816 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5461 -16.5461 -16.5228 -16.5228 -16.5057 -16.5057 -16.1076 -16.1076 -16.0666 -16.0666 -16.0387 -16.0387 -15.9459 -15.9459 -15.9208 -15.9208 -15.7894 -15.7894 -0.3977 -0.3977 -0.3931 -0.3931 1.7024 1.7024 1.7533 1.7533 1.7982 1.7982 2.7032 2.7032 5.5567 5.5567 7.7982 7.7982 7.9118 7.9118 9.6256 9.6256 10.1296 10.1296 10.4769 10.4769 11.0935 11.0935 13.1187 13.1187 13.1248 13.1248 13.2113 13.2113 13.2214 13.2214 13.9890 14.0056 k = 0.5000 0.5000 0.0571 ( 3824 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5462 -16.5462 -16.5237 -16.5237 -16.5066 -16.5066 -16.1102 -16.1102 -16.0671 -16.0671 -16.0360 -16.0360 -15.9487 -15.9487 -15.9158 -15.9158 -15.7893 -15.7893 -0.3978 -0.3978 -0.3933 -0.3933 1.7023 1.7023 1.7536 1.7536 1.7976 1.7976 2.7102 2.7102 5.5571 5.5571 7.8022 7.8022 7.9146 7.9146 9.6019 9.6019 10.1274 10.1274 10.4781 10.4781 11.0898 11.0898 13.1186 13.1186 13.1230 13.1230 13.2233 13.2233 13.2315 13.2315 13.9886 14.0089 k = 0.5000 0.5000 0.0714 ( 3812 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5464 -16.5464 -16.5248 -16.5248 -16.5078 -16.5078 -16.1132 -16.1132 -16.0676 -16.0676 -16.0328 -16.0328 -15.9511 -15.9511 -15.9104 -15.9104 -15.7891 -15.7891 -0.3979 -0.3979 -0.3935 -0.3935 1.7021 1.7021 1.7539 1.7539 1.7970 1.7970 2.7191 2.7191 5.5576 5.5576 7.8074 7.8074 7.9181 7.9181 9.5720 9.5720 10.1248 10.1248 10.4798 10.4798 11.0851 11.0851 13.1191 13.1191 13.1221 13.1221 13.2371 13.2371 13.2434 13.2434 13.9671 13.9912 k = 0.5000 0.5000 0.0857 ( 3820 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5467 -16.5467 -16.5262 -16.5262 -16.5092 -16.5092 -16.1166 -16.1166 -16.0683 -16.0683 -16.0294 -16.0294 -15.9533 -15.9533 -15.9049 -15.9049 -15.7890 -15.7890 -0.3981 -0.3981 -0.3938 -0.3938 1.7018 1.7018 1.7543 1.7543 1.7962 1.7962 2.7299 2.7299 5.5581 5.5581 7.8136 7.8136 7.9221 7.9221 9.5359 9.5359 10.1217 10.1217 10.4820 10.4820 11.0795 11.0795 13.1203 13.1203 13.1219 13.1219 13.2524 13.2524 13.2569 13.2569 13.9618 13.9626 k = 0.5000 0.5000 0.1000 ( 3828 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5470 -16.5470 -16.5278 -16.5278 -16.5109 -16.5109 -16.1202 -16.1202 -16.0691 -16.0691 -16.0257 -16.0257 -15.9551 -15.9551 -15.8991 -15.8991 -15.7888 -15.7888 -0.3984 -0.3984 -0.3941 -0.3941 1.7015 1.7015 1.7548 1.7548 1.7954 1.7954 2.7426 2.7426 5.5588 5.5588 7.8207 7.8207 7.9268 7.9268 9.4942 9.4942 10.1184 10.1184 10.4849 10.4849 11.0729 11.0729 13.1224 13.1224 13.1228 13.1228 13.2687 13.2687 13.2714 13.2714 13.9306 13.9306 k = 0.5000 0.5000 0.1143 ( 3828 PWs) bands (ev): -37.4935 -37.4935 -37.4934 -37.4934 -37.4934 -37.4934 -16.5473 -16.5473 -16.5296 -16.5296 -16.5127 -16.5127 -16.1240 -16.1240 -16.0699 -16.0699 -16.0218 -16.0218 -15.9567 -15.9567 -15.8932 -15.8932 -15.7885 -15.7885 -0.3986 -0.3986 -0.3945 -0.3945 1.7011 1.7011 1.7553 1.7553 1.7944 1.7944 2.7570 2.7570 5.5595 5.5595 7.8287 7.8287 7.9321 7.9321 9.4473 9.4473 10.1149 10.1149 10.4887 10.4887 11.0655 11.0655 13.1247 13.1247 13.1254 13.1254 13.2857 13.2857 13.2866 13.2866 13.8970 13.8970 k = 0.5000 0.5000 0.1286 ( 3820 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5476 -16.5476 -16.5317 -16.5317 -16.5146 -16.5146 -16.1278 -16.1278 -16.0708 -16.0708 -16.0178 -16.0178 -15.9579 -15.9579 -15.8871 -15.8871 -15.7882 -15.7882 -0.3988 -0.3988 -0.3949 -0.3949 1.7006 1.7006 1.7560 1.7560 1.7934 1.7934 2.7732 2.7732 5.5604 5.5604 7.8374 7.8374 7.9378 7.9378 9.3957 9.3957 10.1115 10.1115 10.4935 10.4935 11.0573 11.0573 13.1277 13.1277 13.1293 13.1293 13.3022 13.3022 13.3031 13.3031 13.8623 13.8623 k = 0.5000 0.5000 0.1429 ( 3820 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5480 -16.5480 -16.5339 -16.5339 -16.5167 -16.5167 -16.1317 -16.1317 -16.0716 -16.0716 -16.0138 -16.0138 -15.9590 -15.9590 -15.8810 -15.8810 -15.7879 -15.7879 -0.3990 -0.3990 -0.3953 -0.3953 1.7000 1.7000 1.7566 1.7566 1.7923 1.7923 2.7911 2.7911 5.5614 5.5614 7.8469 7.8469 7.9438 7.9438 9.3397 9.3397 10.1081 10.1081 10.4992 10.4992 11.0482 11.0482 13.1316 13.1316 13.1341 13.1341 13.3176 13.3176 13.3205 13.3205 13.8271 13.8271 k = 0.5000 0.5000 0.1571 ( 3828 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5484 -16.5484 -16.5363 -16.5363 -16.5189 -16.5189 -16.1356 -16.1356 -16.0725 -16.0725 -16.0098 -16.0098 -15.9598 -15.9598 -15.8748 -15.8748 -15.7876 -15.7876 -0.3994 -0.3994 -0.3958 -0.3958 1.6993 1.6993 1.7574 1.7574 1.7912 1.7912 2.8106 2.8106 5.5624 5.5624 7.8569 7.8569 7.9502 7.9502 9.2799 9.2799 10.1049 10.1049 10.5062 10.5062 11.0386 11.0386 13.1364 13.1364 13.1396 13.1396 13.3326 13.3326 13.3374 13.3374 13.7916 13.7916 k = 0.5000 0.5000 0.1714 ( 3828 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5489 -16.5489 -16.5389 -16.5389 -16.5213 -16.5213 -16.1394 -16.1394 -16.0733 -16.0733 -16.0057 -16.0057 -15.9603 -15.9603 -15.8686 -15.8686 -15.7873 -15.7873 -0.3997 -0.3997 -0.3963 -0.3963 1.6985 1.6985 1.7581 1.7581 1.7900 1.7900 2.8315 2.8315 5.5636 5.5636 7.8673 7.8673 7.9567 7.9567 9.2169 9.2169 10.1022 10.1022 10.5145 10.5145 11.0285 11.0285 13.1421 13.1421 13.1460 13.1460 13.3468 13.3468 13.3537 13.3537 13.7563 13.7563 k = 0.5000 0.5000 0.1857 ( 3820 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5493 -16.5493 -16.5417 -16.5417 -16.5236 -16.5236 -16.1432 -16.1432 -16.0742 -16.0742 -16.0018 -16.0018 -15.9607 -15.9607 -15.8623 -15.8623 -15.7869 -15.7869 -0.4000 -0.4000 -0.3968 -0.3968 1.6976 1.6976 1.7590 1.7590 1.7889 1.7889 2.8539 2.8539 5.5649 5.5649 7.8781 7.8781 7.9634 7.9634 9.1510 9.1510 10.0999 10.0999 10.5242 10.5242 11.0178 11.0178 13.1485 13.1485 13.1530 13.1530 13.3598 13.3598 13.3688 13.3688 13.7215 13.7215 k = 0.5000 0.5000 0.2000 ( 3804 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5498 -16.5498 -16.5445 -16.5445 -16.5259 -16.5259 -16.1469 -16.1469 -16.0749 -16.0749 -15.9979 -15.9979 -15.9609 -15.9609 -15.8561 -15.8561 -15.7865 -15.7865 -0.4003 -0.4003 -0.3973 -0.3973 1.6966 1.6966 1.7599 1.7599 1.7878 1.7878 2.8775 2.8775 5.5663 5.5663 7.8893 7.8893 7.9701 7.9701 9.0829 9.0829 10.0982 10.0982 10.5355 10.5355 11.0068 11.0068 13.1556 13.1556 13.1607 13.1607 13.3712 13.3712 13.3824 13.3824 13.6873 13.6873 k = 0.5000 0.5000 0.2143 ( 3796 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -37.4934 -16.5502 -16.5502 -16.5475 -16.5475 -16.5283 -16.5283 -16.1504 -16.1504 -16.0756 -16.0756 -15.9941 -15.9941 -15.9609 -15.9609 -15.8500 -15.8500 -15.7860 -15.7860 -0.4006 -0.4006 -0.3978 -0.3978 1.6955 1.6955 1.7609 1.7609 1.7866 1.7866 2.9023 2.9023 5.5677 5.5677 7.9004 7.9004 7.9768 7.9768 9.0132 9.0132 10.0971 10.0971 10.5483 10.5483 10.9956 10.9956 13.1632 13.1632 13.1688 13.1688 13.3807 13.3807 13.3942 13.3942 13.6539 13.6539 k = 0.5000 0.5000 0.2286 ( 3800 PWs) bands (ev): -37.4934 -37.4934 -37.4934 -37.4934 -37.4933 -37.4933 -16.5508 -16.5508 -16.5506 -16.5506 -16.5307 -16.5307 -16.1539 -16.1539 -16.0764 -16.0764 -15.9904 -15.9904 -15.9608 -15.9608 -15.8441 -15.8441 -15.7856 -15.7856 -0.4010 -0.4010 -0.3984 -0.3984 1.6942 1.6942 1.7618 1.7618 1.7855 1.7855 2.9279 2.9279 5.5692 5.5692 7.9115 7.9115 7.9832 7.9832 8.9422 8.9422 10.0966 10.0966 10.5626 10.5626 10.9843 10.9843 13.1712 13.1712 13.1774 13.1774 13.3879 13.3879 13.4038 13.4038 13.6215 13.6215 k = 0.5000 0.5000 0.2429 ( 3792 PWs) bands (ev): -37.4934 -37.4934 -37.4933 -37.4933 -37.4933 -37.4933 -16.5538 -16.5538 -16.5513 -16.5513 -16.5331 -16.5331 -16.1573 -16.1573 -16.0770 -16.0770 -15.9869 -15.9869 -15.9606 -15.9606 -15.8382 -15.8382 -15.7852 -15.7852 -0.4013 -0.4013 -0.3990 -0.3990 1.6929 1.6929 1.7628 1.7628 1.7844 1.7844 2.9544 2.9544 5.5708 5.5708 7.9225 7.9225 7.9896 7.9896 8.8706 8.8706 10.0969 10.0969 10.5785 10.5785 10.9731 10.9731 13.1796 13.1796 13.1863 13.1863 13.3927 13.3927 13.4108 13.4108 13.5902 13.5905 k = 0.5000 0.5000 0.2571 ( 3792 PWs) bands (ev): -37.4934 -37.4934 -37.4933 -37.4933 -37.4933 -37.4933 -16.5569 -16.5569 -16.5518 -16.5518 -16.5354 -16.5354 -16.1605 -16.1605 -16.0776 -16.0776 -15.9835 -15.9835 -15.9603 -15.9603 -15.8325 -15.8325 -15.7847 -15.7847 -0.4017 -0.4017 -0.3996 -0.3996 1.6915 1.6915 1.7638 1.7638 1.7834 1.7834 2.9815 2.9815 5.5724 5.5724 7.9333 7.9333 7.9956 7.9956 8.7989 8.7989 10.0978 10.0978 10.5959 10.5959 10.9622 10.9622 13.1882 13.1882 13.1954 13.1954 13.3948 13.3948 13.4151 13.4151 13.5601 13.5601 k = 0.5000 0.5000 0.2714 ( 3800 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5601 -16.5601 -16.5524 -16.5524 -16.5377 -16.5377 -16.1636 -16.1636 -16.0781 -16.0781 -15.9803 -15.9803 -15.9600 -15.9600 -15.8270 -15.8270 -15.7843 -15.7843 -0.4021 -0.4021 -0.4002 -0.4002 1.6900 1.6900 1.7648 1.7648 1.7824 1.7824 3.0089 3.0089 5.5740 5.5740 7.9437 7.9437 8.0013 8.0013 8.7277 8.7277 10.0993 10.0993 10.6147 10.6147 10.9517 10.9517 13.1970 13.1970 13.2047 13.2047 13.3941 13.3941 13.4163 13.4164 13.5314 13.5314 k = 0.5000 0.5000 0.2857 ( 3800 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5633 -16.5633 -16.5529 -16.5529 -16.5398 -16.5398 -16.1665 -16.1665 -16.0786 -16.0786 -15.9772 -15.9772 -15.9595 -15.9595 -15.8217 -15.8217 -15.7838 -15.7838 -0.4025 -0.4025 -0.4008 -0.4008 1.6885 1.6885 1.7658 1.7658 1.7815 1.7815 3.0366 3.0366 5.5757 5.5757 7.9537 7.9537 8.0066 8.0066 8.6574 8.6574 10.1015 10.1015 10.6348 10.6348 10.9418 10.9418 13.2059 13.2059 13.2140 13.2140 13.3906 13.3906 13.4144 13.4144 13.5034 13.5040 k = 0.5000 0.5000 0.3000 ( 3800 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5664 -16.5664 -16.5534 -16.5534 -16.5419 -16.5419 -16.1692 -16.1692 -16.0791 -16.0791 -15.9743 -15.9743 -15.9590 -15.9590 -15.8166 -15.8166 -15.7834 -15.7834 -0.4029 -0.4029 -0.4014 -0.4014 1.6869 1.6869 1.7667 1.7667 1.7806 1.7806 3.0642 3.0642 5.5774 5.5774 7.9633 7.9633 8.0117 8.0117 8.5886 8.5886 10.1041 10.1041 10.6561 10.6561 10.9326 10.9326 13.2147 13.2147 13.2232 13.2232 13.3843 13.3843 13.4090 13.4090 13.4733 13.4733 k = 0.5000 0.5000 0.3143 ( 3796 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5693 -16.5693 -16.5539 -16.5539 -16.5440 -16.5440 -16.1718 -16.1718 -16.0795 -16.0795 -15.9716 -15.9716 -15.9585 -15.9585 -15.8118 -15.8118 -15.7829 -15.7829 -0.4032 -0.4032 -0.4020 -0.4020 1.6854 1.6854 1.7677 1.7677 1.7798 1.7798 3.0916 3.0916 5.5791 5.5791 7.9723 7.9723 8.0163 8.0163 8.5219 8.5219 10.1071 10.1071 10.6783 10.6783 10.9243 10.9243 13.2234 13.2234 13.2323 13.2323 13.3755 13.3755 13.3997 13.3997 13.4457 13.4457 k = 0.5000 0.5000 0.3286 ( 3804 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5722 -16.5722 -16.5544 -16.5544 -16.5459 -16.5459 -16.1742 -16.1742 -16.0798 -16.0798 -15.9690 -15.9690 -15.9581 -15.9581 -15.8073 -15.8073 -15.7825 -15.7825 -0.4036 -0.4036 -0.4025 -0.4025 1.6838 1.6838 1.7686 1.7686 1.7790 1.7790 3.1185 3.1185 5.5808 5.5808 7.9807 7.9807 8.0204 8.0204 8.4576 8.4576 10.1104 10.1104 10.7012 10.7012 10.9169 10.9169 13.2318 13.2318 13.2411 13.2411 13.3644 13.3644 13.3860 13.3860 13.4216 13.4216 k = 0.5000 0.5000 0.3429 ( 3804 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5750 -16.5750 -16.5549 -16.5549 -16.5477 -16.5477 -16.1764 -16.1764 -16.0801 -16.0801 -15.9667 -15.9667 -15.9575 -15.9575 -15.8031 -15.8031 -15.7821 -15.7821 -0.4040 -0.4040 -0.4030 -0.4030 1.6824 1.6824 1.7695 1.7695 1.7784 1.7784 3.1445 3.1445 5.5825 5.5825 7.9885 7.9885 8.0242 8.0242 8.3963 8.3963 10.1138 10.1138 10.7245 10.7245 10.9106 10.9106 13.2398 13.2398 13.2496 13.2496 13.3514 13.3514 13.3682 13.3682 13.4013 13.4013 k = 0.5000 0.5000 0.3571 ( 3796 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5776 -16.5776 -16.5553 -16.5553 -16.5493 -16.5493 -16.1784 -16.1784 -16.0804 -16.0804 -15.9645 -15.9645 -15.9570 -15.9570 -15.7991 -15.7991 -15.7817 -15.7817 -0.4042 -0.4042 -0.4035 -0.4035 1.6809 1.6809 1.7704 1.7704 1.7777 1.7777 3.1695 3.1695 5.5841 5.5841 7.9956 7.9956 8.0275 8.0275 8.3386 8.3386 10.1173 10.1173 10.7478 10.7478 10.9054 10.9054 13.2474 13.2474 13.2576 13.2576 13.3369 13.3369 13.3481 13.3481 13.3834 13.3834 k = 0.5000 0.5000 0.3714 ( 3796 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5800 -16.5800 -16.5558 -16.5558 -16.5508 -16.5508 -16.1803 -16.1803 -16.0806 -16.0806 -15.9625 -15.9625 -15.9565 -15.9565 -15.7955 -15.7955 -15.7814 -15.7814 -0.4046 -0.4046 -0.4040 -0.4040 1.6795 1.6795 1.7712 1.7712 1.7772 1.7772 3.1932 3.1932 5.5856 5.5856 8.0021 8.0021 8.0305 8.0305 8.2847 8.2847 10.1207 10.1207 10.7708 10.7708 10.9013 10.9013 13.2544 13.2544 13.2652 13.2652 13.3213 13.3213 13.3279 13.3279 13.3664 13.3664 k = 0.5000 0.5000 0.3857 ( 3812 PWs) bands (ev): -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -37.4933 -16.5822 -16.5822 -16.5562 -16.5562 -16.5523 -16.5523 -16.1820 -16.1820 -16.0809 -16.0809 -15.9608 -15.9608 -15.9561 -15.9561 -15.7923 -15.7923 -15.7811 -15.7811 -0.4049 -0.4049 -0.4044 -0.4044 1.6782 1.6782 1.7719 1.7719 1.7767 1.7767 3.2153 3.2153 5.5869 5.5869 8.0078 8.0078 8.0329 8.0329 8.2351 8.2351 10.1239 10.1239 10.7930 10.7930 10.8982 10.8982 13.2605 13.2605 13.2721 13.2721 13.3053 13.3053 13.3091 13.3091 13.3496 13.3496 k = 0.5000 0.5000 0.4000 ( 3828 PWs) bands (ev): -37.4933 -37.4933 -37.4932 -37.4932 -37.4932 -37.4932 -16.5842 -16.5842 -16.5565 -16.5565 -16.5536 -16.5536 -16.1835 -16.1835 -16.0811 -16.0811 -15.9593 -15.9593 -15.9557 -15.9557 -15.7894 -15.7894 -15.7808 -15.7808 -0.4052 -0.4052 -0.4049 -0.4049 1.6770 1.6770 1.7725 1.7725 1.7762 1.7762 3.2355 3.2355 5.5882 5.5882 8.0128 8.0128 8.0350 8.0350 8.1903 8.1903 10.1268 10.1268 10.8141 10.8141 10.8960 10.8960 13.2648 13.2648 13.2782 13.2782 13.2895 13.2895 13.2929 13.2929 13.3333 13.3333 k = 0.5000 0.5000 0.4143 ( 3828 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5860 -16.5860 -16.5569 -16.5569 -16.5546 -16.5546 -16.1847 -16.1847 -16.0812 -16.0812 -15.9579 -15.9579 -15.9553 -15.9553 -15.7869 -15.7869 -15.7805 -15.7805 -0.4054 -0.4054 -0.4052 -0.4052 1.6759 1.6759 1.7731 1.7731 1.7758 1.7758 3.2537 3.2537 5.5894 5.5894 8.0171 8.0171 8.0366 8.0366 8.1509 8.1509 10.1294 10.1294 10.8335 10.8335 10.8946 10.8946 13.2642 13.2642 13.2743 13.2743 13.2830 13.2830 13.2837 13.2837 13.3179 13.3179 k = 0.5000 0.5000 0.4286 ( 3836 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5875 -16.5875 -16.5571 -16.5571 -16.5556 -16.5556 -16.1858 -16.1858 -16.0813 -16.0813 -15.9568 -15.9568 -15.9550 -15.9550 -15.7847 -15.7847 -15.7803 -15.7803 -0.4057 -0.4057 -0.4055 -0.4055 1.6749 1.6749 1.7736 1.7736 1.7755 1.7755 3.2695 3.2695 5.5904 5.5904 8.0208 8.0208 8.0378 8.0378 8.1170 8.1170 10.1316 10.1316 10.8509 10.8509 10.8939 10.8939 13.2555 13.2555 13.2604 13.2604 13.2823 13.2823 13.2881 13.2881 13.3039 13.3039 k = 0.5000 0.5000 0.4429 ( 3852 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5888 -16.5888 -16.5574 -16.5574 -16.5564 -16.5564 -16.1868 -16.1868 -16.0815 -16.0815 -15.9559 -15.9559 -15.9547 -15.9547 -15.7830 -15.7830 -15.7801 -15.7801 -0.4059 -0.4059 -0.4057 -0.4057 1.6742 1.6742 1.7740 1.7740 1.7752 1.7752 3.2827 3.2827 5.5912 5.5912 8.0237 8.0237 8.0383 8.0383 8.0891 8.0891 10.1334 10.1334 10.8658 10.8658 10.8936 10.8936 13.2452 13.2452 13.2482 13.2482 13.2841 13.2841 13.2913 13.2913 13.2922 13.2922 k = 0.5000 0.5000 0.4571 ( 3840 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5898 -16.5898 -16.5575 -16.5575 -16.5570 -16.5570 -16.1874 -16.1874 -16.0815 -16.0815 -15.9551 -15.9551 -15.9545 -15.9545 -15.7815 -15.7815 -15.7800 -15.7800 -0.4060 -0.4060 -0.4059 -0.4059 1.6736 1.6736 1.7744 1.7744 1.7751 1.7751 3.2932 3.2932 5.5919 5.5919 8.0260 8.0260 8.0378 8.0378 8.0682 8.0682 10.1348 10.1348 10.8779 10.8779 10.8936 10.8936 13.2366 13.2366 13.2382 13.2382 13.2804 13.2804 13.2885 13.2886 13.2930 13.2930 k = 0.5000 0.5000 0.4714 ( 3840 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5905 -16.5905 -16.5577 -16.5577 -16.5574 -16.5574 -16.1879 -16.1879 -16.0816 -16.0816 -15.9546 -15.9546 -15.9543 -15.9543 -15.7805 -15.7805 -15.7798 -15.7798 -0.4061 -0.4061 -0.4060 -0.4060 1.6731 1.6731 1.7746 1.7746 1.7749 1.7749 3.3009 3.3009 5.5924 5.5924 8.0277 8.0277 8.0352 8.0352 8.0553 8.0553 10.1358 10.1358 10.8867 10.8867 10.8937 10.8937 13.2300 13.2300 13.2308 13.2308 13.2735 13.2735 13.2900 13.2900 13.2928 13.2928 k = 0.5000 0.5000 0.4857 ( 3840 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5909 -16.5909 -16.5577 -16.5577 -16.5577 -16.5577 -16.1882 -16.1882 -16.0816 -16.0816 -15.9543 -15.9543 -15.9542 -15.9542 -15.7799 -15.7799 -15.7798 -15.7798 -0.4061 -0.4061 -0.4061 -0.4061 1.6729 1.6729 1.7748 1.7748 1.7748 1.7748 3.3055 3.3055 5.5927 5.5927 8.0287 8.0287 8.0310 8.0310 8.0502 8.0502 10.1364 10.1364 10.8921 10.8921 10.8939 10.8939 13.2260 13.2260 13.2262 13.2262 13.2691 13.2691 13.2911 13.2911 13.2919 13.2919 k = 0.5000 0.5000 0.5000 ( 3840 PWs) bands (ev): -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -37.4932 -16.5910 -16.5910 -16.5578 -16.5578 -16.5578 -16.5578 -16.1883 -16.1883 -16.0816 -16.0816 -15.9542 -15.9542 -15.9542 -15.9542 -15.7797 -15.7797 -15.7797 -15.7797 -0.4062 -0.4062 -0.4062 -0.4062 1.6728 1.6728 1.7748 1.7748 1.7748 1.7748 3.3070 3.3070 5.5928 5.5928 8.0290 8.0290 8.0290 8.0290 8.0490 8.0490 10.1366 10.1366 10.8939 10.8939 10.8939 10.8939 13.2247 13.2247 13.2247 13.2247 13.2677 13.2677 13.2915 13.2915 13.2915 13.2916 Writing output data file Sc3TlC.save init_run : 0.36s CPU 0.77s WALL ( 1 calls) electrons : 323.98s CPU 329.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 323.97s CPU 329.16s 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 : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 272 calls) cegterg : 310.25s CPU 314.46s WALL ( 1008 calls) Called by sum_band: Called by *egterg: h_psi : 133.03s CPU 135.52s WALL ( 19317 calls) s_psi : 9.28s CPU 9.56s WALL ( 19317 calls) g_psi : 0.35s CPU 0.36s WALL ( 18037 calls) cdiaghg : 147.53s CPU 149.55s WALL ( 18309 calls) cegterg:over : 10.40s CPU 10.34s WALL ( 18037 calls) cegterg:upda : 11.09s CPU 10.96s WALL ( 18037 calls) cegterg:last : 4.27s CPU 4.17s WALL ( 1876 calls) cdiaghg:chol : 8.30s CPU 8.25s WALL ( 18309 calls) cdiaghg:inve : 5.68s CPU 5.64s WALL ( 18309 calls) cdiaghg:para : 9.19s CPU 9.11s WALL ( 36618 calls) Called by h_psi: h_psi:vloc : 112.51s CPU 114.47s WALL ( 19317 calls) h_psi:vnl : 20.20s CPU 20.69s WALL ( 19317 calls) add_vuspsi : 10.94s CPU 11.19s WALL ( 19317 calls) General routines calbec : 9.21s CPU 9.45s WALL ( 19317 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 104.03s CPU 105.79s WALL ( 1342740 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 544 calls) Parallel routines fft_scatter : 37.12s CPU 38.17s WALL ( 1342763 calls) PWSCF : 5m38.80s CPU 5m54.64s WALL This run was terminated on: 17:38:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=