Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:52 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: ./Ca3PbO.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 60 34 10 2094 920 148 Max 61 35 11 2098 933 151 Sum 2161 1245 373 75445 33371 5377 bravais-lattice index = 14 lattice parameter (alat) = 9.1595 a.u. unit-cell volume = 768.4499 (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 = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.159502 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 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. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) Ca 10.00 40.07800 Ca( 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= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039370 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039370 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039370 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039370 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039370 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039370 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039370 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039370 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039370 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039370 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039370 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039370 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039370 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039370 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039370 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039370 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039370 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039370 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039370 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039370 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039370 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039370 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039370 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039370 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039370 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039370 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039370 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039370 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039370 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039370 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039370 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039370 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039370 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039370 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039370 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039370 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039370 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039370 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039370 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039370 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039370 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039370 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039370 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039370 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039370 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039370 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039370 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039370 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039370 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039370 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039370 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039370 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039370 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039370 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039370 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039370 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039370 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039370 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039370 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039370 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039370 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039370 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039370 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039370 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039370 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039370 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039370 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039370 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039370 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039370 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039370 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039370 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039370 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039370 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039370 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039370 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039370 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039370 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039370 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039370 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039370 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039370 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039370 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039370 k( 118) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039370 k( 119) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039370 k( 120) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039370 k( 121) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039370 k( 122) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039370 k( 123) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039370 k( 124) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039370 k( 125) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039370 k( 126) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039370 k( 127) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039370 k( 128) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039370 k( 129) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039370 k( 130) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039370 k( 131) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039370 k( 132) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039370 k( 133) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039370 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039370 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039370 k( 136) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039370 k( 137) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039370 k( 138) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039370 k( 139) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039370 k( 140) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039370 k( 141) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039370 k( 142) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039370 k( 143) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039370 k( 144) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039370 k( 145) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039370 k( 146) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039370 k( 147) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039370 k( 148) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039370 k( 149) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039370 k( 150) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039370 k( 151) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039370 k( 152) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039370 k( 153) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039370 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039370 k( 155) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039370 k( 156) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039370 k( 157) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039370 k( 158) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039370 k( 159) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039370 k( 160) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039370 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039370 k( 162) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039370 k( 163) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039370 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039370 k( 165) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039370 k( 166) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039370 k( 167) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039370 k( 168) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039370 k( 169) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039370 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039370 k( 171) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039370 k( 172) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039370 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039370 k( 176) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039370 k( 177) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039370 k( 178) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039370 k( 179) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039370 k( 180) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039370 k( 181) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039370 k( 182) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039370 k( 183) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039370 k( 184) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039370 k( 185) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039370 k( 186) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039370 k( 187) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039370 k( 188) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039370 k( 189) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039370 k( 190) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039370 k( 191) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039370 k( 192) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039370 k( 193) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039370 k( 194) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039370 k( 195) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039370 k( 196) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039370 k( 197) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039370 k( 198) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039370 k( 199) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039370 k( 200) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039370 k( 201) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039370 k( 202) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039370 k( 203) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039370 k( 204) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039370 k( 205) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039370 k( 206) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039370 k( 207) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039370 k( 208) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039370 k( 209) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039370 k( 210) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039370 k( 211) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039370 k( 212) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039370 k( 213) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039370 k( 214) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039370 k( 215) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039370 k( 216) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039370 k( 217) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039370 k( 218) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039370 k( 219) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 222) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039370 k( 223) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039370 k( 224) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039370 k( 225) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039370 k( 226) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039370 k( 227) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039370 k( 228) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039370 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039370 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039370 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039370 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039370 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039370 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039370 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039370 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039370 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039370 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039370 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039370 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039370 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039370 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039370 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039370 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039370 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039370 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039370 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039370 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039370 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039370 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039370 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039370 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039370 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039370 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039370 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039370 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039370 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039370 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039370 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039370 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039370 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039370 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039370 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039370 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039370 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039370 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039370 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039370 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039370 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039370 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039370 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039370 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039370 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039370 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039370 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039370 k( 79) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0039370 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039370 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039370 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039370 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039370 k( 84) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0039370 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039370 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039370 k( 87) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0039370 k( 88) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0039370 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039370 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039370 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039370 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039370 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039370 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039370 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0039370 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039370 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039370 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039370 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039370 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039370 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039370 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039370 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039370 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039370 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0039370 k( 106) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0039370 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039370 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039370 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039370 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039370 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039370 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039370 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039370 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039370 k( 118) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039370 k( 119) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039370 k( 120) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039370 k( 121) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039370 k( 122) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039370 k( 123) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039370 k( 124) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039370 k( 125) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039370 k( 126) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039370 k( 127) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039370 k( 128) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039370 k( 129) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039370 k( 130) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039370 k( 131) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039370 k( 132) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039370 k( 133) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039370 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039370 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039370 k( 136) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039370 k( 137) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039370 k( 138) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039370 k( 139) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039370 k( 140) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039370 k( 141) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039370 k( 142) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039370 k( 143) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039370 k( 144) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039370 k( 145) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039370 k( 146) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039370 k( 147) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039370 k( 148) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039370 k( 149) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039370 k( 150) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039370 k( 151) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039370 k( 152) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039370 k( 153) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039370 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039370 k( 155) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039370 k( 156) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039370 k( 157) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039370 k( 158) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039370 k( 159) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039370 k( 160) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039370 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039370 k( 162) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039370 k( 163) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039370 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039370 k( 165) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039370 k( 166) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039370 k( 167) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039370 k( 168) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039370 k( 169) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039370 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039370 k( 171) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039370 k( 172) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039370 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039370 k( 176) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039370 k( 177) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039370 k( 178) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039370 k( 179) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039370 k( 180) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039370 k( 181) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039370 k( 182) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039370 k( 183) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039370 k( 184) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039370 k( 185) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039370 k( 186) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039370 k( 187) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039370 k( 188) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039370 k( 189) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039370 k( 190) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039370 k( 191) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039370 k( 192) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039370 k( 193) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039370 k( 194) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039370 k( 195) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039370 k( 196) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039370 k( 197) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039370 k( 198) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039370 k( 199) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039370 k( 200) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039370 k( 201) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039370 k( 202) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039370 k( 203) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039370 k( 204) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039370 k( 205) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039370 k( 206) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039370 k( 207) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039370 k( 208) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039370 k( 209) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039370 k( 210) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039370 k( 211) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039370 k( 212) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039370 k( 213) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039370 k( 214) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039370 k( 215) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039370 k( 216) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039370 k( 217) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039370 k( 218) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039370 k( 219) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 222) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039370 k( 223) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039370 k( 224) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039370 k( 225) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039370 k( 226) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039370 k( 227) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039370 k( 228) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 Dense grid: 75445 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 33371 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 230, 60) NL pseudopotentials 0.26 Mb ( 115, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2096) G-vector shells 0.00 Mb ( 429) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 230, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.27 Mb ( 150, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3PbO.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.8 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.3 secs Computing kpt #: 11 total cpu time spent up to now is 12.1 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.8 secs Computing kpt #: 14 total cpu time spent up to now is 14.6 secs Computing kpt #: 15 total cpu time spent up to now is 15.4 secs Computing kpt #: 16 total cpu time spent up to now is 16.2 secs Computing kpt #: 17 total cpu time spent up to now is 17.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 18.8 secs Computing kpt #: 20 total cpu time spent up to now is 19.7 secs Computing kpt #: 21 total cpu time spent up to now is 20.6 secs Computing kpt #: 22 total cpu time spent up to now is 21.6 secs Computing kpt #: 23 total cpu time spent up to now is 22.6 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.6 secs Computing kpt #: 26 total cpu time spent up to now is 25.7 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.3 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.2 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 33.1 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.1 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.9 secs Computing kpt #: 33 total cpu time spent up to now is 38.3 secs Computing kpt #: 34 total cpu time spent up to now is 39.8 secs Computing kpt #: 35 total cpu time spent up to now is 41.3 secs Computing kpt #: 36 total cpu time spent up to now is 42.9 secs Computing kpt #: 37 total cpu time spent up to now is 44.5 secs Computing kpt #: 38 total cpu time spent up to now is 46.2 secs Computing kpt #: 39 total cpu time spent up to now is 47.8 secs Computing kpt #: 40 total cpu time spent up to now is 49.2 secs Computing kpt #: 41 total cpu time spent up to now is 51.0 secs Computing kpt #: 42 total cpu time spent up to now is 52.4 secs Computing kpt #: 43 total cpu time spent up to now is 53.7 secs Computing kpt #: 44 total cpu time spent up to now is 55.5 secs Computing kpt #: 45 total cpu time spent up to now is 56.9 secs Computing kpt #: 46 total cpu time spent up to now is 58.6 secs Computing kpt #: 47 total cpu time spent up to now is 60.1 secs Computing kpt #: 48 total cpu time spent up to now is 61.4 secs Computing kpt #: 49 total cpu time spent up to now is 62.7 secs Computing kpt #: 50 total cpu time spent up to now is 63.9 secs Computing kpt #: 51 total cpu time spent up to now is 65.0 secs Computing kpt #: 52 total cpu time spent up to now is 66.1 secs Computing kpt #: 53 total cpu time spent up to now is 67.1 secs Computing kpt #: 54 total cpu time spent up to now is 68.2 secs Computing kpt #: 55 total cpu time spent up to now is 69.2 secs Computing kpt #: 56 total cpu time spent up to now is 70.3 secs Computing kpt #: 57 total cpu time spent up to now is 71.3 secs Computing kpt #: 58 total cpu time spent up to now is 72.3 secs Computing kpt #: 59 total cpu time spent up to now is 73.4 secs Computing kpt #: 60 total cpu time spent up to now is 74.3 secs Computing kpt #: 61 total cpu time spent up to now is 75.2 secs Computing kpt #: 62 total cpu time spent up to now is 76.3 secs Computing kpt #: 63 total cpu time spent up to now is 77.2 secs Computing kpt #: 64 total cpu time spent up to now is 78.2 secs Computing kpt #: 65 total cpu time spent up to now is 79.3 secs Computing kpt #: 66 total cpu time spent up to now is 80.3 secs Computing kpt #: 67 total cpu time spent up to now is 81.5 secs Computing kpt #: 68 total cpu time spent up to now is 82.4 secs Computing kpt #: 69 total cpu time spent up to now is 83.5 secs Computing kpt #: 70 total cpu time spent up to now is 84.6 secs Computing kpt #: 71 total cpu time spent up to now is 85.7 secs Computing kpt #: 72 total cpu time spent up to now is 86.7 secs Computing kpt #: 73 total cpu time spent up to now is 87.8 secs Computing kpt #: 74 total cpu time spent up to now is 88.8 secs Computing kpt #: 75 total cpu time spent up to now is 89.8 secs Computing kpt #: 76 total cpu time spent up to now is 90.7 secs Computing kpt #: 77 total cpu time spent up to now is 91.6 secs Computing kpt #: 78 total cpu time spent up to now is 92.6 secs Computing kpt #: 79 total cpu time spent up to now is 93.6 secs Computing kpt #: 80 total cpu time spent up to now is 94.5 secs Computing kpt #: 81 total cpu time spent up to now is 95.5 secs Computing kpt #: 82 total cpu time spent up to now is 96.5 secs Computing kpt #: 83 total cpu time spent up to now is 97.4 secs Computing kpt #: 84 total cpu time spent up to now is 98.5 secs Computing kpt #: 85 total cpu time spent up to now is 99.5 secs Computing kpt #: 86 total cpu time spent up to now is 100.4 secs Computing kpt #: 87 total cpu time spent up to now is 101.4 secs Computing kpt #: 88 total cpu time spent up to now is 102.4 secs Computing kpt #: 89 total cpu time spent up to now is 103.3 secs Computing kpt #: 90 total cpu time spent up to now is 104.2 secs Computing kpt #: 91 total cpu time spent up to now is 105.1 secs Computing kpt #: 92 total cpu time spent up to now is 106.0 secs Computing kpt #: 93 total cpu time spent up to now is 106.9 secs Computing kpt #: 94 total cpu time spent up to now is 107.8 secs Computing kpt #: 95 total cpu time spent up to now is 108.6 secs Computing kpt #: 96 total cpu time spent up to now is 109.5 secs Computing kpt #: 97 total cpu time spent up to now is 110.3 secs Computing kpt #: 98 total cpu time spent up to now is 111.2 secs Computing kpt #: 99 total cpu time spent up to now is 112.0 secs Computing kpt #: 100 total cpu time spent up to now is 112.8 secs Computing kpt #: 101 total cpu time spent up to now is 113.7 secs Computing kpt #: 102 total cpu time spent up to now is 114.5 secs Computing kpt #: 103 total cpu time spent up to now is 115.3 secs Computing kpt #: 104 total cpu time spent up to now is 116.1 secs Computing kpt #: 105 total cpu time spent up to now is 116.9 secs Computing kpt #: 106 total cpu time spent up to now is 117.8 secs Computing kpt #: 107 total cpu time spent up to now is 118.6 secs Computing kpt #: 108 total cpu time spent up to now is 119.5 secs Computing kpt #: 109 total cpu time spent up to now is 120.4 secs Computing kpt #: 110 total cpu time spent up to now is 121.4 secs Computing kpt #: 111 total cpu time spent up to now is 122.2 secs Computing kpt #: 112 total cpu time spent up to now is 123.1 secs Computing kpt #: 113 total cpu time spent up to now is 124.1 secs Computing kpt #: 114 total cpu time spent up to now is 124.9 secs Computing kpt #: 115 total cpu time spent up to now is 125.8 secs Computing kpt #: 116 total cpu time spent up to now is 126.6 secs Computing kpt #: 117 total cpu time spent up to now is 127.5 secs Computing kpt #: 118 total cpu time spent up to now is 128.5 secs Computing kpt #: 119 total cpu time spent up to now is 129.4 secs Computing kpt #: 120 total cpu time spent up to now is 130.4 secs Computing kpt #: 121 total cpu time spent up to now is 131.3 secs Computing kpt #: 122 total cpu time spent up to now is 132.3 secs Computing kpt #: 123 total cpu time spent up to now is 133.3 secs Computing kpt #: 124 total cpu time spent up to now is 134.2 secs Computing kpt #: 125 total cpu time spent up to now is 135.0 secs Computing kpt #: 126 total cpu time spent up to now is 135.9 secs Computing kpt #: 127 total cpu time spent up to now is 136.8 secs Computing kpt #: 128 total cpu time spent up to now is 137.7 secs Computing kpt #: 129 total cpu time spent up to now is 138.6 secs Computing kpt #: 130 total cpu time spent up to now is 139.5 secs Computing kpt #: 131 total cpu time spent up to now is 140.5 secs Computing kpt #: 132 total cpu time spent up to now is 141.4 secs Computing kpt #: 133 total cpu time spent up to now is 142.4 secs Computing kpt #: 134 total cpu time spent up to now is 143.4 secs Computing kpt #: 135 total cpu time spent up to now is 144.5 secs Computing kpt #: 136 total cpu time spent up to now is 145.6 secs Computing kpt #: 137 total cpu time spent up to now is 146.6 secs Computing kpt #: 138 total cpu time spent up to now is 147.7 secs Computing kpt #: 139 total cpu time spent up to now is 148.9 secs Computing kpt #: 140 total cpu time spent up to now is 150.0 secs Computing kpt #: 141 total cpu time spent up to now is 151.4 secs Computing kpt #: 142 total cpu time spent up to now is 153.0 secs Computing kpt #: 143 total cpu time spent up to now is 154.6 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.5 secs Computing kpt #: 145 total cpu time spent up to now is 158.1 secs Computing kpt #: 146 total cpu time spent up to now is 159.9 secs Computing kpt #: 147 total cpu time spent up to now is 161.7 secs Computing kpt #: 148 total cpu time spent up to now is 163.3 secs Computing kpt #: 149 total cpu time spent up to now is 165.1 secs Computing kpt #: 150 total cpu time spent up to now is 166.2 secs Computing kpt #: 151 total cpu time spent up to now is 167.3 secs Computing kpt #: 152 total cpu time spent up to now is 168.4 secs Computing kpt #: 153 total cpu time spent up to now is 169.4 secs Computing kpt #: 154 total cpu time spent up to now is 170.4 secs Computing kpt #: 155 total cpu time spent up to now is 171.5 secs Computing kpt #: 156 total cpu time spent up to now is 172.5 secs Computing kpt #: 157 total cpu time spent up to now is 173.6 secs Computing kpt #: 158 total cpu time spent up to now is 174.7 secs Computing kpt #: 159 total cpu time spent up to now is 175.8 secs Computing kpt #: 160 total cpu time spent up to now is 177.2 secs Computing kpt #: 161 total cpu time spent up to now is 178.6 secs Computing kpt #: 162 total cpu time spent up to now is 180.1 secs Computing kpt #: 163 total cpu time spent up to now is 181.9 secs Computing kpt #: 164 total cpu time spent up to now is 183.5 secs Computing kpt #: 165 total cpu time spent up to now is 185.3 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.3 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.3 secs Computing kpt #: 168 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 191.4 secs Computing kpt #: 169 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 193.4 secs Computing kpt #: 170 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 195.4 secs Computing kpt #: 171 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 197.7 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.9 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.7 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.4 secs Computing kpt #: 175 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 205.4 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 177 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 209.5 secs Computing kpt #: 178 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 211.6 secs Computing kpt #: 179 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 213.6 secs Computing kpt #: 180 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 181 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 217.7 secs Computing kpt #: 182 total cpu time spent up to now is 219.5 secs Computing kpt #: 183 total cpu time spent up to now is 221.4 secs Computing kpt #: 184 total cpu time spent up to now is 223.0 secs Computing kpt #: 185 total cpu time spent up to now is 224.6 secs Computing kpt #: 186 total cpu time spent up to now is 226.2 secs Computing kpt #: 187 total cpu time spent up to now is 227.5 secs Computing kpt #: 188 total cpu time spent up to now is 228.7 secs Computing kpt #: 189 total cpu time spent up to now is 230.0 secs Computing kpt #: 190 total cpu time spent up to now is 231.0 secs Computing kpt #: 191 total cpu time spent up to now is 232.1 secs Computing kpt #: 192 total cpu time spent up to now is 233.2 secs Computing kpt #: 193 total cpu time spent up to now is 234.3 secs Computing kpt #: 194 total cpu time spent up to now is 235.3 secs Computing kpt #: 195 total cpu time spent up to now is 236.4 secs Computing kpt #: 196 total cpu time spent up to now is 237.4 secs Computing kpt #: 197 total cpu time spent up to now is 238.5 secs Computing kpt #: 198 total cpu time spent up to now is 239.5 secs Computing kpt #: 199 total cpu time spent up to now is 240.6 secs Computing kpt #: 200 total cpu time spent up to now is 241.7 secs Computing kpt #: 201 total cpu time spent up to now is 242.8 secs Computing kpt #: 202 total cpu time spent up to now is 243.9 secs Computing kpt #: 203 total cpu time spent up to now is 245.0 secs Computing kpt #: 204 total cpu time spent up to now is 246.2 secs Computing kpt #: 205 total cpu time spent up to now is 247.5 secs Computing kpt #: 206 total cpu time spent up to now is 248.7 secs Computing kpt #: 207 total cpu time spent up to now is 249.8 secs Computing kpt #: 208 total cpu time spent up to now is 251.2 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.2 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.1 secs Computing kpt #: 211 total cpu time spent up to now is 256.8 secs Computing kpt #: 212 total cpu time spent up to now is 258.2 secs Computing kpt #: 213 total cpu time spent up to now is 259.6 secs Computing kpt #: 214 total cpu time spent up to now is 261.2 secs Computing kpt #: 215 total cpu time spent up to now is 262.9 secs Computing kpt #: 216 total cpu time spent up to now is 264.7 secs Computing kpt #: 217 total cpu time spent up to now is 266.1 secs Computing kpt #: 218 total cpu time spent up to now is 267.9 secs Computing kpt #: 219 total cpu time spent up to now is 269.4 secs Computing kpt #: 220 total cpu time spent up to now is 271.0 secs Computing kpt #: 221 total cpu time spent up to now is 272.1 secs Computing kpt #: 222 total cpu time spent up to now is 273.2 secs Computing kpt #: 223 total cpu time spent up to now is 274.3 secs Computing kpt #: 224 total cpu time spent up to now is 275.5 secs Computing kpt #: 225 total cpu time spent up to now is 276.6 secs Computing kpt #: 226 total cpu time spent up to now is 277.6 secs Computing kpt #: 227 total cpu time spent up to now is 278.7 secs Computing kpt #: 228 total cpu time spent up to now is 279.8 secs Computing kpt #: 229 total cpu time spent up to now is 280.9 secs Computing kpt #: 230 total cpu time spent up to now is 281.9 secs Computing kpt #: 231 total cpu time spent up to now is 283.0 secs Computing kpt #: 232 total cpu time spent up to now is 284.1 secs Computing kpt #: 233 total cpu time spent up to now is 285.1 secs Computing kpt #: 234 total cpu time spent up to now is 286.2 secs Computing kpt #: 235 total cpu time spent up to now is 287.3 secs Computing kpt #: 236 total cpu time spent up to now is 288.4 secs Computing kpt #: 237 total cpu time spent up to now is 289.5 secs Computing kpt #: 238 total cpu time spent up to now is 290.6 secs Computing kpt #: 239 total cpu time spent up to now is 291.9 secs Computing kpt #: 240 total cpu time spent up to now is 293.1 secs Computing kpt #: 241 total cpu time spent up to now is 294.6 secs Computing kpt #: 242 total cpu time spent up to now is 296.1 secs Computing kpt #: 243 total cpu time spent up to now is 297.8 secs Computing kpt #: 244 total cpu time spent up to now is 299.4 secs Computing kpt #: 245 total cpu time spent up to now is 301.0 secs Computing kpt #: 246 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 303.1 secs Computing kpt #: 247 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 305.1 secs Computing kpt #: 248 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 307.1 secs Computing kpt #: 249 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 309.2 secs Computing kpt #: 250 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 311.2 secs Computing kpt #: 251 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 313.3 secs Computing kpt #: 252 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 315.4 secs Computing kpt #: 253 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 317.4 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.2 secs ethr = 2.00E-08, avg # of iterations = 61.8 total cpu time spent up to now is 319.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -31.6161 -31.6161 -31.5349 -31.5349 -31.5349 -31.5349 -12.9766 -12.9766 -12.9766 -12.9766 -12.7841 -12.7841 -12.6238 -12.6238 -12.5510 -12.5510 -12.5510 -12.5510 -12.4634 -12.4634 -12.3325 -12.3325 -12.3325 -12.3325 -8.9605 -8.9605 -7.6146 -7.6146 -7.6146 -7.6146 -5.0688 -5.0688 -5.0661 -5.0661 -5.0661 -5.0661 1.1788 1.1788 5.6986 5.6986 5.7281 5.7281 5.7281 5.7281 9.0469 9.0469 9.9004 9.9004 9.9004 9.9004 10.3766 10.3766 10.3766 10.3766 10.6437 10.6437 10.6437 10.6437 10.6622 10.6622 k = 0.0000 0.0152-0.0000 ( 4148 PWs) bands (ev): -31.6161 -31.6161 -31.5350 -31.5350 -31.5349 -31.5349 -12.9765 -12.9765 -12.9765 -12.9765 -12.7841 -12.7841 -12.6239 -12.6239 -12.5511 -12.5511 -12.5510 -12.5510 -12.4635 -12.4635 -12.3330 -12.3330 -12.3327 -12.3327 -8.9597 -8.9597 -7.6146 -7.6146 -7.6146 -7.6146 -5.0688 -5.0688 -5.0661 -5.0661 -5.0661 -5.0661 1.1796 1.1796 5.6978 5.6978 5.7266 5.7266 5.7278 5.7278 9.0377 9.0377 9.8903 9.8903 9.9020 9.9020 10.3616 10.3616 10.3717 10.3717 10.6476 10.6476 10.6531 10.6531 10.6753 10.6753 k = 0.0000 0.0303-0.0000 ( 4148 PWs) bands (ev): -31.6159 -31.6159 -31.5351 -31.5351 -31.5349 -31.5349 -12.9764 -12.9764 -12.9764 -12.9764 -12.7841 -12.7841 -12.6243 -12.6243 -12.5512 -12.5512 -12.5509 -12.5509 -12.4636 -12.4636 -12.3340 -12.3340 -12.3329 -12.3329 -8.9574 -8.9574 -7.6145 -7.6145 -7.6145 -7.6145 -5.0687 -5.0687 -5.0660 -5.0660 -5.0659 -5.0659 1.1822 1.1822 5.6949 5.6949 5.7227 5.7227 5.7271 5.7271 9.0106 9.0106 9.8606 9.8606 9.9070 9.9070 10.3240 10.3240 10.3625 10.3625 10.6515 10.6515 10.6773 10.6773 10.7151 10.7151 k = 0.0000 0.0455-0.0000 ( 4148 PWs) bands (ev): -31.6157 -31.6157 -31.5353 -31.5353 -31.5349 -31.5349 -12.9762 -12.9762 -12.9761 -12.9761 -12.7840 -12.7840 -12.6250 -12.6250 -12.5514 -12.5514 -12.5507 -12.5507 -12.4638 -12.4638 -12.3357 -12.3357 -12.3333 -12.3333 -8.9535 -8.9535 -7.6145 -7.6145 -7.6144 -7.6144 -5.0687 -5.0687 -5.0660 -5.0660 -5.0658 -5.0658 1.1866 1.1866 5.6890 5.6890 5.7175 5.7175 5.7260 5.7260 8.9663 8.9663 9.8138 9.8138 9.9153 9.9153 10.2753 10.2753 10.3580 10.3580 10.6553 10.6553 10.7104 10.7104 10.7701 10.7702 k = 0.0000 0.0606-0.0000 ( 4148 PWs) bands (ev): -31.6154 -31.6154 -31.5356 -31.5356 -31.5349 -31.5349 -12.9759 -12.9759 -12.9757 -12.9757 -12.7838 -12.7838 -12.6259 -12.6259 -12.5517 -12.5517 -12.5504 -12.5504 -12.4640 -12.4640 -12.3380 -12.3380 -12.3338 -12.3338 -8.9481 -8.9481 -7.6144 -7.6144 -7.6142 -7.6142 -5.0686 -5.0686 -5.0658 -5.0658 -5.0655 -5.0655 1.1926 1.1926 5.6787 5.6787 5.7124 5.7124 5.7244 5.7244 8.9062 8.9062 9.7545 9.7545 9.9268 9.9268 10.2218 10.2218 10.3628 10.3628 10.6600 10.6600 10.7491 10.7491 10.8330 10.8330 k = 0.0000 0.0758-0.0000 ( 4152 PWs) bands (ev): -31.6150 -31.6150 -31.5359 -31.5359 -31.5349 -31.5349 -12.9756 -12.9756 -12.9753 -12.9753 -12.7837 -12.7837 -12.6271 -12.6271 -12.5522 -12.5522 -12.5501 -12.5501 -12.4644 -12.4644 -12.3408 -12.3408 -12.3344 -12.3344 -8.9413 -8.9413 -7.6143 -7.6143 -7.6140 -7.6140 -5.0685 -5.0685 -5.0657 -5.0657 -5.0652 -5.0652 1.2003 1.2003 5.6635 5.6635 5.7081 5.7081 5.7224 5.7224 8.8319 8.8319 9.6880 9.6880 9.9415 9.9415 10.1667 10.1667 10.3768 10.3768 10.6660 10.6660 10.7929 10.7929 10.9002 10.9002 k = 0.0000 0.0909-0.0000 ( 4152 PWs) bands (ev): -31.6146 -31.6146 -31.5364 -31.5364 -31.5349 -31.5349 -12.9752 -12.9752 -12.9748 -12.9748 -12.7835 -12.7835 -12.6285 -12.6285 -12.5527 -12.5527 -12.5497 -12.5497 -12.4648 -12.4648 -12.3443 -12.3443 -12.3352 -12.3352 -8.9331 -8.9331 -7.6142 -7.6142 -7.6138 -7.6138 -5.0683 -5.0683 -5.0655 -5.0655 -5.0648 -5.0648 1.2097 1.2097 5.6438 5.6438 5.7044 5.7044 5.7200 5.7200 8.7454 8.7454 9.6188 9.6188 9.9594 9.9594 10.1114 10.1114 10.3983 10.3983 10.6731 10.6731 10.8418 10.8418 10.9704 10.9704 k = 0.0000 0.1061-0.0000 ( 4160 PWs) bands (ev): -31.6141 -31.6141 -31.5369 -31.5369 -31.5349 -31.5349 -12.9747 -12.9747 -12.9741 -12.9741 -12.7834 -12.7834 -12.6301 -12.6301 -12.5532 -12.5532 -12.5492 -12.5492 -12.4653 -12.4653 -12.3484 -12.3484 -12.3361 -12.3361 -8.9236 -8.9236 -7.6141 -7.6141 -7.6136 -7.6136 -5.0682 -5.0682 -5.0654 -5.0654 -5.0644 -5.0644 1.2206 1.2206 5.6204 5.6204 5.7010 5.7010 5.7172 5.7172 8.6487 8.6487 9.5501 9.5501 9.9802 9.9802 10.0570 10.0570 10.4258 10.4258 10.6814 10.6814 10.8955 10.8955 11.0427 11.0427 k = 0.0000 0.1212-0.0000 ( 4156 PWs) bands (ev): -31.6135 -31.6135 -31.5375 -31.5375 -31.5349 -31.5349 -12.9741 -12.9741 -12.9732 -12.9732 -12.7833 -12.7833 -12.6318 -12.6318 -12.5538 -12.5538 -12.5486 -12.5486 -12.4658 -12.4658 -12.3530 -12.3530 -12.3372 -12.3372 -8.9129 -8.9129 -7.6139 -7.6139 -7.6133 -7.6133 -5.0680 -5.0680 -5.0651 -5.0651 -5.0639 -5.0639 1.2330 1.2330 5.5938 5.5938 5.6976 5.6976 5.7140 5.7140 8.5441 8.5441 9.4833 9.4833 9.9960 9.9960 10.0117 10.0117 10.4579 10.4579 10.6909 10.6909 10.9542 10.9542 11.1168 11.1168 k = 0.0000 0.1364-0.0000 ( 4152 PWs) bands (ev): -31.6128 -31.6128 -31.5381 -31.5381 -31.5349 -31.5349 -12.9735 -12.9735 -12.9723 -12.9723 -12.7833 -12.7833 -12.6337 -12.6337 -12.5545 -12.5545 -12.5479 -12.5479 -12.4664 -12.4664 -12.3580 -12.3580 -12.3384 -12.3384 -8.9011 -8.9011 -7.6138 -7.6138 -7.6129 -7.6129 -5.0678 -5.0678 -5.0649 -5.0649 -5.0633 -5.0633 1.2468 1.2468 5.5645 5.5645 5.6941 5.6941 5.7105 5.7105 8.4334 8.4334 9.4194 9.4194 9.9491 9.9491 10.0334 10.0334 10.4939 10.4939 10.7015 10.7015 11.0173 11.0173 11.1921 11.1921 k = 0.0000 0.1515-0.0000 ( 4160 PWs) bands (ev): -31.6120 -31.6120 -31.5388 -31.5388 -31.5349 -31.5349 -12.9729 -12.9729 -12.9713 -12.9713 -12.7834 -12.7834 -12.6357 -12.6357 -12.5553 -12.5553 -12.5471 -12.5471 -12.4671 -12.4671 -12.3634 -12.3634 -12.3396 -12.3396 -8.8883 -8.8883 -7.6136 -7.6136 -7.6126 -7.6126 -5.0676 -5.0676 -5.0646 -5.0646 -5.0627 -5.0627 1.2619 1.2619 5.5328 5.5328 5.6904 5.6904 5.7068 5.7068 8.3185 8.3185 9.3586 9.3586 9.8984 9.8984 10.0633 10.0633 10.5331 10.5331 10.7133 10.7133 11.0844 11.0844 11.2686 11.2686 k = 0.0000 0.1667-0.0000 ( 4164 PWs) bands (ev): -31.6112 -31.6112 -31.5396 -31.5396 -31.5349 -31.5349 -12.9722 -12.9722 -12.9702 -12.9702 -12.7835 -12.7835 -12.6377 -12.6377 -12.5562 -12.5562 -12.5463 -12.5463 -12.4679 -12.4679 -12.3691 -12.3691 -12.3410 -12.3410 -8.8746 -8.8746 -7.6134 -7.6134 -7.6122 -7.6122 -5.0674 -5.0674 -5.0643 -5.0643 -5.0621 -5.0621 1.2783 1.2783 5.4993 5.4993 5.6866 5.6866 5.7027 5.7027 8.2010 8.2010 9.3009 9.3009 9.8491 9.8491 10.0964 10.0964 10.5754 10.5754 10.7261 10.7261 11.1549 11.1549 11.3460 11.3460 k = 0.0000 0.1818-0.0000 ( 4164 PWs) bands (ev): -31.6103 -31.6103 -31.5405 -31.5405 -31.5349 -31.5349 -12.9714 -12.9714 -12.9689 -12.9689 -12.7838 -12.7838 -12.6398 -12.6398 -12.5572 -12.5572 -12.5454 -12.5454 -12.4687 -12.4687 -12.3751 -12.3751 -12.3425 -12.3425 -8.8602 -8.8602 -7.6132 -7.6132 -7.6118 -7.6118 -5.0672 -5.0672 -5.0640 -5.0640 -5.0614 -5.0614 1.2958 1.2958 5.4643 5.4643 5.6826 5.6826 5.6985 5.6985 8.0824 8.0824 9.2463 9.2463 9.8014 9.8014 10.1322 10.1322 10.6204 10.6204 10.7398 10.7398 11.2285 11.2285 11.4242 11.4242 k = 0.0000 0.1970-0.0000 ( 4156 PWs) bands (ev): -31.6094 -31.6094 -31.5414 -31.5414 -31.5349 -31.5349 -12.9705 -12.9705 -12.9676 -12.9676 -12.7843 -12.7843 -12.6417 -12.6417 -12.5582 -12.5582 -12.5443 -12.5443 -12.4696 -12.4696 -12.3813 -12.3813 -12.3440 -12.3440 -8.8451 -8.8451 -7.6130 -7.6130 -7.6114 -7.6114 -5.0669 -5.0669 -5.0637 -5.0637 -5.0607 -5.0607 1.3143 1.3143 5.4282 5.4282 5.6785 5.6785 5.6941 5.6941 7.9637 7.9637 9.1945 9.1945 9.7556 9.7556 10.1707 10.1707 10.6681 10.6681 10.7545 10.7545 11.3049 11.3049 11.5031 11.5031 k = 0.0000 0.2121-0.0000 ( 4160 PWs) bands (ev): -31.6084 -31.6084 -31.5424 -31.5424 -31.5349 -31.5349 -12.9697 -12.9697 -12.9662 -12.9662 -12.7850 -12.7850 -12.6435 -12.6435 -12.5593 -12.5593 -12.5432 -12.5432 -12.4706 -12.4706 -12.3877 -12.3877 -12.3456 -12.3456 -8.8297 -8.8297 -7.6128 -7.6128 -7.6109 -7.6109 -5.0667 -5.0667 -5.0633 -5.0633 -5.0600 -5.0600 1.3337 1.3337 5.3915 5.3915 5.6743 5.6743 5.6895 5.6895 7.8459 7.8459 9.1456 9.1456 9.7117 9.7117 10.2117 10.2117 10.7184 10.7184 10.7700 10.7700 11.3835 11.3835 11.5825 11.5825 k = 0.0000 0.2273-0.0000 ( 4160 PWs) bands (ev): -31.6073 -31.6073 -31.5434 -31.5434 -31.5349 -31.5349 -12.9688 -12.9688 -12.9647 -12.9647 -12.7860 -12.7860 -12.6452 -12.6452 -12.5605 -12.5605 -12.5420 -12.5420 -12.4717 -12.4717 -12.3941 -12.3941 -12.3473 -12.3473 -8.8138 -8.8138 -7.6126 -7.6126 -7.6105 -7.6105 -5.0665 -5.0665 -5.0630 -5.0630 -5.0592 -5.0592 1.3538 1.3538 5.3544 5.3544 5.6701 5.6701 5.6849 5.6849 7.7298 7.7298 9.0993 9.0993 9.6696 9.6696 10.2550 10.2550 10.7712 10.7712 10.7862 10.7862 11.4640 11.4640 11.6625 11.6625 k = 0.0000 0.2424-0.0000 ( 4140 PWs) bands (ev): -31.6062 -31.6062 -31.5445 -31.5445 -31.5349 -31.5349 -12.9679 -12.9679 -12.9630 -12.9630 -12.7871 -12.7871 -12.6465 -12.6465 -12.5618 -12.5618 -12.5406 -12.5406 -12.4728 -12.4728 -12.4005 -12.4005 -12.3489 -12.3489 -8.7978 -8.7978 -7.6124 -7.6124 -7.6100 -7.6100 -5.0662 -5.0662 -5.0626 -5.0626 -5.0585 -5.0585 1.3744 1.3744 5.3174 5.3174 5.6658 5.6658 5.6802 5.6802 7.6162 7.6162 9.0557 9.0557 9.6297 9.6297 10.3004 10.3004 10.8031 10.8031 10.8265 10.8265 11.5463 11.5463 11.7429 11.7429 k = 0.0000 0.2576-0.0000 ( 4140 PWs) bands (ev): -31.6050 -31.6050 -31.5456 -31.5456 -31.5348 -31.5348 -12.9670 -12.9670 -12.9613 -12.9613 -12.7886 -12.7886 -12.6476 -12.6476 -12.5632 -12.5632 -12.5392 -12.5392 -12.4740 -12.4740 -12.4069 -12.4069 -12.3506 -12.3506 -8.7818 -8.7818 -7.6121 -7.6121 -7.6096 -7.6096 -5.0660 -5.0660 -5.0622 -5.0622 -5.0577 -5.0577 1.3954 1.3954 5.2808 5.2808 5.6615 5.6615 5.6755 5.6755 7.5057 7.5057 9.0146 9.0146 9.5917 9.5917 10.3477 10.3477 10.8205 10.8205 10.8841 10.8841 11.6300 11.6300 11.8234 11.8234 k = 0.0000 0.2727-0.0000 ( 4156 PWs) bands (ev): -31.6038 -31.6038 -31.5468 -31.5468 -31.5348 -31.5348 -12.9661 -12.9661 -12.9596 -12.9596 -12.7905 -12.7905 -12.6484 -12.6484 -12.5647 -12.5647 -12.5378 -12.5378 -12.4753 -12.4753 -12.4133 -12.4133 -12.3523 -12.3523 -8.7658 -8.7658 -7.6119 -7.6119 -7.6091 -7.6091 -5.0658 -5.0658 -5.0619 -5.0619 -5.0569 -5.0569 1.4167 1.4167 5.2450 5.2450 5.6572 5.6572 5.6708 5.6708 7.3988 7.3988 8.9760 8.9760 9.5559 9.5559 10.3965 10.3965 10.8382 10.8382 10.9442 10.9442 11.7147 11.7147 11.9042 11.9042 k = 0.0000 0.2879-0.0000 ( 4152 PWs) bands (ev): -31.6026 -31.6026 -31.5480 -31.5480 -31.5348 -31.5348 -12.9653 -12.9653 -12.9577 -12.9577 -12.7926 -12.7926 -12.6488 -12.6488 -12.5664 -12.5664 -12.5363 -12.5363 -12.4767 -12.4767 -12.4194 -12.4194 -12.3540 -12.3540 -8.7501 -8.7501 -7.6117 -7.6117 -7.6087 -7.6087 -5.0655 -5.0655 -5.0615 -5.0615 -5.0562 -5.0562 1.4379 1.4379 5.2102 5.2102 5.6530 5.6530 5.6662 5.6662 7.2960 7.2960 8.9399 8.9399 9.5222 9.5222 10.4467 10.4467 10.8563 10.8563 11.0065 11.0065 11.8003 11.8003 11.9851 11.9851 k = 0.0000 0.3030-0.0000 ( 4152 PWs) bands (ev): -31.6013 -31.6013 -31.5492 -31.5492 -31.5348 -31.5348 -12.9644 -12.9644 -12.9558 -12.9558 -12.7950 -12.7950 -12.6488 -12.6488 -12.5682 -12.5682 -12.5346 -12.5346 -12.4781 -12.4781 -12.4254 -12.4254 -12.3556 -12.3556 -8.7348 -8.7348 -7.6115 -7.6115 -7.6082 -7.6082 -5.0653 -5.0653 -5.0611 -5.0611 -5.0555 -5.0555 1.4590 1.4590 5.1768 5.1768 5.6490 5.6490 5.6617 5.6617 7.1979 7.1979 8.9063 8.9063 9.4906 9.4906 10.4978 10.4978 10.8744 10.8744 11.0710 11.0710 11.8867 11.8867 12.0660 12.0660 k = 0.0000 0.3182-0.0000 ( 4152 PWs) bands (ev): -31.6000 -31.6000 -31.5504 -31.5504 -31.5348 -31.5348 -12.9636 -12.9636 -12.9539 -12.9539 -12.7976 -12.7976 -12.6484 -12.6484 -12.5701 -12.5701 -12.5330 -12.5330 -12.4797 -12.4797 -12.4311 -12.4311 -12.3572 -12.3572 -8.7200 -8.7200 -7.6113 -7.6113 -7.6078 -7.6078 -5.0651 -5.0651 -5.0608 -5.0608 -5.0548 -5.0548 1.4797 1.4797 5.1451 5.1451 5.6451 5.6451 5.6574 5.6574 7.1048 7.1048 8.8751 8.8751 9.4613 9.4613 10.5495 10.5495 10.8924 10.8924 11.1378 11.1378 11.9736 11.9736 12.1468 12.1468 k = 0.0000 0.3333-0.0000 ( 4152 PWs) bands (ev): -31.5988 -31.5988 -31.5517 -31.5517 -31.5348 -31.5348 -12.9628 -12.9628 -12.9519 -12.9519 -12.8005 -12.8005 -12.6476 -12.6476 -12.5722 -12.5722 -12.5312 -12.5312 -12.4813 -12.4813 -12.4365 -12.4365 -12.3588 -12.3588 -8.7059 -8.7059 -7.6111 -7.6111 -7.6074 -7.6074 -5.0649 -5.0649 -5.0604 -5.0604 -5.0541 -5.0541 1.4998 1.4998 5.1152 5.1152 5.6413 5.6413 5.6533 5.6533 7.0172 7.0172 8.8464 8.8464 9.4342 9.4342 10.6013 10.6013 10.9102 10.9102 11.2065 11.2065 12.0608 12.0608 12.2275 12.2275 k = 0.0000 0.3485-0.0000 ( 4160 PWs) bands (ev): -31.5975 -31.5975 -31.5529 -31.5529 -31.5348 -31.5348 -12.9621 -12.9621 -12.9499 -12.9499 -12.8035 -12.8035 -12.6464 -12.6464 -12.5744 -12.5744 -12.5294 -12.5294 -12.4830 -12.4830 -12.4416 -12.4416 -12.3602 -12.3602 -8.6925 -8.6925 -7.6109 -7.6109 -7.6070 -7.6070 -5.0647 -5.0647 -5.0601 -5.0601 -5.0534 -5.0534 1.5191 1.5191 5.0874 5.0874 5.6378 5.6378 5.6494 5.6494 6.9356 6.9356 8.8202 8.8202 9.4094 9.4094 10.6526 10.6526 10.9275 10.9275 11.2773 11.2773 12.1481 12.1481 12.3078 12.3078 k = 0.0000 0.3636-0.0000 ( 4168 PWs) bands (ev): -31.5962 -31.5962 -31.5542 -31.5542 -31.5348 -31.5348 -12.9614 -12.9614 -12.9480 -12.9480 -12.8067 -12.8067 -12.6448 -12.6448 -12.5768 -12.5768 -12.5276 -12.5276 -12.4847 -12.4847 -12.4463 -12.4463 -12.3616 -12.3616 -8.6801 -8.6801 -7.6107 -7.6107 -7.6067 -7.6067 -5.0646 -5.0646 -5.0598 -5.0598 -5.0528 -5.0528 1.5373 1.5373 5.0619 5.0619 5.6345 5.6345 5.6458 5.6458 6.8602 6.8602 8.7965 8.7965 9.3869 9.3869 10.7029 10.7029 10.9442 10.9442 11.3500 11.3500 12.2353 12.2353 12.3878 12.3878 k = 0.0000 0.3788-0.0000 ( 4164 PWs) bands (ev): -31.5950 -31.5950 -31.5554 -31.5554 -31.5348 -31.5348 -12.9608 -12.9608 -12.9460 -12.9460 -12.8097 -12.8097 -12.6430 -12.6430 -12.5792 -12.5792 -12.5256 -12.5256 -12.4865 -12.4865 -12.4506 -12.4506 -12.3628 -12.3628 -8.6686 -8.6686 -7.6106 -7.6106 -7.6064 -7.6064 -5.0644 -5.0644 -5.0595 -5.0595 -5.0523 -5.0523 1.5543 1.5543 5.0388 5.0388 5.6315 5.6315 5.6425 5.6425 6.7915 6.7915 8.7752 8.7752 9.3667 9.3667 10.7514 10.7514 10.9600 10.9600 11.4244 11.4244 12.3220 12.3220 12.4674 12.4674 k = 0.0000 0.3939-0.0000 ( 4164 PWs) bands (ev): -31.5938 -31.5938 -31.5566 -31.5566 -31.5348 -31.5348 -12.9602 -12.9602 -12.9442 -12.9442 -12.8128 -12.8128 -12.6409 -12.6409 -12.5818 -12.5818 -12.5237 -12.5237 -12.4882 -12.4882 -12.4544 -12.4544 -12.3640 -12.3640 -8.6582 -8.6582 -7.6104 -7.6104 -7.6061 -7.6061 -5.0643 -5.0643 -5.0593 -5.0593 -5.0518 -5.0518 1.5699 1.5699 5.0182 5.0182 5.6288 5.6288 5.6395 5.6395 6.7298 6.7298 8.7564 8.7564 9.3488 9.3488 10.7973 10.7973 10.9746 10.9746 11.5005 11.5005 12.4072 12.4072 12.5463 12.5463 k = 0.0000 0.4091-0.0000 ( 4164 PWs) bands (ev): -31.5926 -31.5926 -31.5577 -31.5577 -31.5348 -31.5348 -12.9596 -12.9596 -12.9424 -12.9424 -12.8157 -12.8157 -12.6385 -12.6385 -12.5844 -12.5844 -12.5218 -12.5218 -12.4900 -12.4900 -12.4578 -12.4578 -12.3650 -12.3650 -8.6490 -8.6490 -7.6103 -7.6103 -7.6058 -7.6058 -5.0641 -5.0641 -5.0590 -5.0590 -5.0513 -5.0513 1.5838 1.5838 5.0003 5.0003 5.6264 5.6264 5.6368 5.6368 6.6755 6.6755 8.7401 8.7401 9.3333 9.3333 10.8399 10.8399 10.9879 10.9879 11.5780 11.5780 12.4810 12.4810 12.5579 12.5579 k = 0.0000 0.4242-0.0000 ( 4160 PWs) bands (ev): -31.5916 -31.5916 -31.5587 -31.5587 -31.5348 -31.5348 -12.9591 -12.9591 -12.9408 -12.9408 -12.8184 -12.8184 -12.6362 -12.6362 -12.5870 -12.5870 -12.5198 -12.5198 -12.4918 -12.4918 -12.4607 -12.4607 -12.3659 -12.3659 -8.6411 -8.6411 -7.6102 -7.6102 -7.6056 -7.6056 -5.0640 -5.0640 -5.0588 -5.0588 -5.0510 -5.0510 1.5960 1.5960 4.9850 4.9850 5.6243 5.6243 5.6345 5.6345 6.6290 6.6290 8.7263 8.7263 9.3201 9.3201 10.8782 10.8782 10.9995 10.9995 11.6570 11.6570 12.4572 12.4572 12.5946 12.5946 k = 0.0000 0.4394-0.0000 ( 4160 PWs) bands (ev): -31.5907 -31.5907 -31.5596 -31.5596 -31.5348 -31.5348 -12.9588 -12.9588 -12.9394 -12.9394 -12.8207 -12.8207 -12.6338 -12.6338 -12.5895 -12.5895 -12.5181 -12.5181 -12.4935 -12.4935 -12.4630 -12.4630 -12.3666 -12.3666 -8.6346 -8.6346 -7.6101 -7.6101 -7.6054 -7.6054 -5.0639 -5.0639 -5.0587 -5.0587 -5.0507 -5.0507 1.6061 1.6061 4.9725 4.9725 5.6226 5.6226 5.6326 5.6326 6.5905 6.5905 8.7150 8.7150 9.3093 9.3093 10.9112 10.9112 11.0094 11.0094 11.7370 11.7370 12.3852 12.3852 12.6760 12.6762 k = 0.0000 0.4545-0.0000 ( 4160 PWs) bands (ev): -31.5900 -31.5900 -31.5603 -31.5603 -31.5347 -31.5347 -12.9585 -12.9585 -12.9383 -12.9383 -12.8225 -12.8225 -12.6317 -12.6317 -12.5918 -12.5918 -12.5164 -12.5164 -12.4950 -12.4950 -12.4649 -12.4649 -12.3671 -12.3671 -8.6294 -8.6294 -7.6100 -7.6100 -7.6052 -7.6052 -5.0639 -5.0639 -5.0585 -5.0585 -5.0504 -5.0504 1.6142 1.6142 4.9628 4.9628 5.6212 5.6212 5.6312 5.6312 6.5602 6.5602 8.7062 8.7062 9.3009 9.3009 10.9381 10.9381 11.0173 11.0173 11.8181 11.8181 12.3076 12.3076 12.6697 12.6699 k = 0.0000 0.4697-0.0000 ( 4156 PWs) bands (ev): -31.5894 -31.5894 -31.5609 -31.5609 -31.5347 -31.5347 -12.9583 -12.9583 -12.9374 -12.9374 -12.8239 -12.8239 -12.6299 -12.6299 -12.5937 -12.5937 -12.5151 -12.5151 -12.4963 -12.4963 -12.4661 -12.4661 -12.3675 -12.3675 -8.6257 -8.6257 -7.6100 -7.6100 -7.6051 -7.6051 -5.0638 -5.0638 -5.0584 -5.0584 -5.0502 -5.0502 1.6200 1.6200 4.9558 4.9558 5.6203 5.6203 5.6301 5.6301 6.5385 6.5385 8.6999 8.6999 9.2949 9.2949 10.9581 10.9581 11.0231 11.0231 11.8998 11.8998 12.2276 12.2276 12.6600 12.6601 k = 0.0000 0.4848-0.0000 ( 4140 PWs) bands (ev): -31.5890 -31.5890 -31.5612 -31.5612 -31.5347 -31.5347 -12.9582 -12.9582 -12.9369 -12.9369 -12.8247 -12.8247 -12.6286 -12.6286 -12.5949 -12.5949 -12.5142 -12.5142 -12.4972 -12.4972 -12.4668 -12.4668 -12.3677 -12.3677 -8.6235 -8.6235 -7.6099 -7.6099 -7.6051 -7.6051 -5.0638 -5.0638 -5.0584 -5.0584 -5.0501 -5.0501 1.6235 1.6235 4.9516 4.9516 5.6197 5.6197 5.6294 5.6294 6.5253 6.5253 8.6962 8.6962 9.2913 9.2913 10.9703 10.9703 11.0266 11.0266 11.9820 11.9820 12.1464 12.1464 12.6541 12.6541 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.5889 -31.5889 -31.5613 -31.5613 -31.5347 -31.5347 -12.9581 -12.9581 -12.9367 -12.9367 -12.8249 -12.8249 -12.6282 -12.6282 -12.5954 -12.5954 -12.5139 -12.5139 -12.4975 -12.4975 -12.4671 -12.4671 -12.3678 -12.3678 -8.6227 -8.6227 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0584 -5.0584 -5.0501 -5.0501 1.6247 1.6247 4.9502 4.9502 5.6195 5.6195 5.6292 5.6292 6.5210 6.5210 8.6949 8.6949 9.2901 9.2901 10.9745 10.9745 11.0277 11.0277 12.0617 12.0617 12.0670 12.0670 12.6522 12.6522 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.5889 -31.5889 -31.5613 -31.5613 -31.5347 -31.5347 -12.9581 -12.9581 -12.9367 -12.9367 -12.8249 -12.8249 -12.6282 -12.6282 -12.5954 -12.5954 -12.5139 -12.5139 -12.4975 -12.4975 -12.4671 -12.4671 -12.3678 -12.3678 -8.6227 -8.6227 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0584 -5.0584 -5.0501 -5.0501 1.6247 1.6247 4.9502 4.9502 5.6195 5.6195 5.6292 5.6292 6.5210 6.5210 8.6949 8.6949 9.2901 9.2901 10.9745 10.9745 11.0277 11.0277 12.0617 12.0617 12.0670 12.0670 12.6522 12.6522 k = 0.0152 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.5889 -31.5889 -31.5613 -31.5613 -31.5348 -31.5348 -12.9589 -12.9589 -12.9363 -12.9363 -12.8251 -12.8251 -12.6290 -12.6290 -12.5944 -12.5944 -12.5145 -12.5145 -12.4970 -12.4970 -12.4669 -12.4669 -12.3678 -12.3678 -8.6221 -8.6221 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0584 -5.0584 -5.0501 -5.0501 1.6253 1.6253 4.9496 4.9496 5.6175 5.6175 5.6277 5.6277 6.5235 6.5235 8.6926 8.6926 9.2872 9.2872 10.9769 10.9769 11.0292 11.0292 12.0651 12.0651 12.0675 12.0675 12.6455 12.6455 k = 0.0303 0.5000-0.0000 ( 4158 PWs) bands (ev): -31.5888 -31.5888 -31.5613 -31.5613 -31.5349 -31.5349 -12.9611 -12.9611 -12.9352 -12.9352 -12.8258 -12.8258 -12.6309 -12.6309 -12.5918 -12.5918 -12.5162 -12.5162 -12.4959 -12.4959 -12.4663 -12.4663 -12.3680 -12.3680 -8.6201 -8.6201 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0583 -5.0583 -5.0501 -5.0501 1.6270 1.6270 4.9476 4.9476 5.6097 5.6097 5.6249 5.6249 6.5310 6.5310 8.6856 8.6856 9.2787 9.2787 10.9840 10.9840 11.0333 11.0333 12.0670 12.0670 12.0770 12.0770 12.6269 12.6269 k = 0.0455 0.5000-0.0000 ( 4158 PWs) bands (ev): -31.5886 -31.5886 -31.5613 -31.5613 -31.5350 -31.5350 -12.9643 -12.9643 -12.9337 -12.9337 -12.8267 -12.8267 -12.6336 -12.6336 -12.5880 -12.5880 -12.5185 -12.5185 -12.4944 -12.4944 -12.4652 -12.4652 -12.3682 -12.3682 -8.6169 -8.6169 -7.6098 -7.6098 -7.6051 -7.6051 -5.0637 -5.0637 -5.0583 -5.0583 -5.0500 -5.0500 1.6299 1.6299 4.9444 4.9444 5.5949 5.5949 5.6225 5.6225 6.5433 6.5433 8.6737 8.6737 9.2652 9.2652 10.9956 10.9956 11.0403 11.0403 12.0674 12.0674 12.0953 12.0953 12.5993 12.5993 k = 0.0606 0.5000-0.0000 ( 4162 PWs) bands (ev): -31.5884 -31.5884 -31.5613 -31.5613 -31.5352 -31.5352 -12.9685 -12.9685 -12.9321 -12.9321 -12.8280 -12.8280 -12.6365 -12.6365 -12.5835 -12.5835 -12.5211 -12.5211 -12.4928 -12.4928 -12.4637 -12.4637 -12.3685 -12.3685 -8.6124 -8.6124 -7.6098 -7.6098 -7.6051 -7.6051 -5.0637 -5.0637 -5.0583 -5.0583 -5.0500 -5.0500 1.6338 1.6338 4.9399 4.9399 5.5739 5.5739 5.6201 5.6201 6.5599 6.5599 8.6569 8.6569 9.2477 9.2477 11.0112 11.0112 11.0503 11.0503 12.0677 12.0677 12.1205 12.1205 12.5658 12.5658 k = 0.0758 0.5000-0.0000 ( 4174 PWs) bands (ev): -31.5882 -31.5882 -31.5613 -31.5613 -31.5355 -31.5355 -12.9734 -12.9734 -12.9305 -12.9305 -12.8297 -12.8297 -12.6395 -12.6395 -12.5787 -12.5787 -12.5238 -12.5238 -12.4914 -12.4914 -12.4618 -12.4618 -12.3688 -12.3688 -8.6067 -8.6067 -7.6097 -7.6097 -7.6051 -7.6051 -5.0636 -5.0636 -5.0582 -5.0582 -5.0499 -5.0499 1.6389 1.6389 4.9342 4.9342 5.5477 5.5477 5.6173 5.6173 6.5804 6.5804 8.6349 8.6349 9.2273 9.2273 11.0306 11.0306 11.0630 11.0630 12.0680 12.0680 12.1517 12.1517 12.5287 12.5287 k = 0.0909 0.5000-0.0000 ( 4176 PWs) bands (ev): -31.5878 -31.5878 -31.5613 -31.5613 -31.5358 -31.5358 -12.9789 -12.9789 -12.9288 -12.9288 -12.8316 -12.8316 -12.6423 -12.6423 -12.5737 -12.5737 -12.5266 -12.5266 -12.4902 -12.4902 -12.4595 -12.4595 -12.3691 -12.3691 -8.5999 -8.5999 -7.6096 -7.6096 -7.6051 -7.6051 -5.0636 -5.0636 -5.0581 -5.0581 -5.0499 -5.0499 1.6450 1.6450 4.9273 4.9273 5.5170 5.5170 5.6141 5.6141 6.6042 6.6042 8.6076 8.6076 9.2052 9.2052 11.0531 11.0531 11.0784 11.0784 12.0681 12.0681 12.1885 12.1885 12.4898 12.4898 k = 0.1061 0.5000-0.0000 ( 4170 PWs) bands (ev): -31.5874 -31.5874 -31.5613 -31.5613 -31.5362 -31.5362 -12.9849 -12.9849 -12.9272 -12.9272 -12.8338 -12.8338 -12.6448 -12.6448 -12.5689 -12.5689 -12.5292 -12.5292 -12.4892 -12.4892 -12.4568 -12.4568 -12.3694 -12.3694 -8.5920 -8.5920 -7.6095 -7.6095 -7.6051 -7.6051 -5.0635 -5.0635 -5.0580 -5.0580 -5.0498 -5.0498 1.6522 1.6522 4.9192 4.9192 5.4825 5.4825 5.6105 5.6105 6.6310 6.6310 8.5751 8.5751 9.1825 9.1825 11.0785 11.0785 11.0966 11.0966 12.0679 12.0679 12.2300 12.2300 12.4500 12.4500 k = 0.1212 0.5000-0.0000 ( 4172 PWs) bands (ev): -31.5869 -31.5869 -31.5613 -31.5613 -31.5366 -31.5366 -12.9915 -12.9915 -12.9257 -12.9257 -12.8361 -12.8361 -12.6470 -12.6470 -12.5642 -12.5642 -12.5316 -12.5316 -12.4885 -12.4885 -12.4539 -12.4539 -12.3697 -12.3697 -8.5830 -8.5830 -7.6094 -7.6094 -7.6052 -7.6052 -5.0635 -5.0635 -5.0579 -5.0579 -5.0497 -5.0497 1.6604 1.6604 4.9101 4.9101 5.4447 5.4447 5.6064 5.6064 6.6603 6.6603 8.5376 8.5376 9.1601 9.1601 11.1061 11.1061 11.1174 11.1174 12.0670 12.0670 12.2754 12.2754 12.4103 12.4103 k = 0.1364 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5864 -31.5864 -31.5613 -31.5613 -31.5371 -31.5371 -12.9985 -12.9985 -12.9243 -12.9243 -12.8387 -12.8387 -12.6488 -12.6488 -12.5601 -12.5601 -12.5336 -12.5336 -12.4879 -12.4879 -12.4509 -12.4509 -12.3701 -12.3701 -8.5731 -8.5731 -7.6092 -7.6092 -7.6052 -7.6052 -5.0635 -5.0635 -5.0577 -5.0577 -5.0496 -5.0496 1.6694 1.6694 4.8999 4.8999 5.4043 5.4043 5.6019 5.6019 6.6916 6.6916 8.4955 8.4955 9.1387 9.1387 11.1355 11.1355 11.1412 11.1412 12.0654 12.0654 12.3238 12.3238 12.3714 12.3714 k = 0.1515 0.5000-0.0000 ( 4184 PWs) bands (ev): -31.5858 -31.5858 -31.5613 -31.5613 -31.5377 -31.5377 -13.0059 -13.0059 -12.9230 -12.9230 -12.8414 -12.8414 -12.6503 -12.6503 -12.5567 -12.5567 -12.5349 -12.5349 -12.4875 -12.4875 -12.4477 -12.4477 -12.3705 -12.3705 -8.5624 -8.5624 -7.6091 -7.6091 -7.6052 -7.6052 -5.0635 -5.0635 -5.0575 -5.0575 -5.0495 -5.0495 1.6794 1.6794 4.8887 4.8887 5.3617 5.3617 5.5970 5.5970 6.7247 6.7247 8.4494 8.4494 9.1187 9.1187 11.1641 11.1641 11.1700 11.1700 12.0627 12.0627 12.3318 12.3318 12.3760 12.3760 k = 0.1667 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5852 -31.5852 -31.5613 -31.5613 -31.5383 -31.5383 -13.0136 -13.0136 -12.9217 -12.9217 -12.8441 -12.8441 -12.6515 -12.6515 -12.5545 -12.5545 -12.5351 -12.5351 -12.4873 -12.4873 -12.4445 -12.4445 -12.3707 -12.3707 -8.5509 -8.5509 -7.6089 -7.6089 -7.6053 -7.6053 -5.0635 -5.0635 -5.0573 -5.0573 -5.0494 -5.0494 1.6901 1.6901 4.8766 4.8766 5.3175 5.3175 5.5918 5.5918 6.7591 6.7591 8.4001 8.4001 9.1003 9.1003 11.1924 11.1924 11.2033 11.2033 12.0585 12.0585 12.2949 12.2949 12.4278 12.4278 k = 0.1818 0.5000-0.0000 ( 4184 PWs) bands (ev): -31.5845 -31.5845 -31.5613 -31.5613 -31.5389 -31.5389 -13.0216 -13.0216 -12.9205 -12.9205 -12.8470 -12.8470 -12.6523 -12.6523 -12.5537 -12.5537 -12.5341 -12.5341 -12.4871 -12.4871 -12.4412 -12.4412 -12.3709 -12.3709 -8.5387 -8.5387 -7.6087 -7.6087 -7.6053 -7.6053 -5.0636 -5.0636 -5.0570 -5.0570 -5.0492 -5.0492 1.7016 1.7016 4.8638 4.8638 5.2721 5.2721 5.5864 5.5864 6.7947 6.7947 8.3484 8.3484 9.0836 9.0836 11.2223 11.2223 11.2387 11.2387 12.0525 12.0525 12.2590 12.2590 12.4218 12.4218 k = 0.1970 0.5000-0.0000 ( 4184 PWs) bands (ev): -31.5838 -31.5838 -31.5612 -31.5612 -31.5396 -31.5396 -13.0298 -13.0298 -12.9193 -12.9193 -12.8498 -12.8498 -12.6528 -12.6528 -12.5541 -12.5541 -12.5321 -12.5321 -12.4871 -12.4871 -12.4380 -12.4380 -12.3710 -12.3710 -8.5261 -8.5261 -7.6085 -7.6085 -7.6053 -7.6053 -5.0636 -5.0636 -5.0568 -5.0568 -5.0490 -5.0490 1.7137 1.7137 4.8502 4.8502 5.2259 5.2259 5.5808 5.5808 6.8310 6.8310 8.2952 8.2952 9.0684 9.0684 11.2541 11.2541 11.2757 11.2757 12.0439 12.0439 12.2246 12.2246 12.3707 12.3707 k = 0.2121 0.5000-0.0000 ( 4192 PWs) bands (ev): -31.5830 -31.5830 -31.5612 -31.5612 -31.5404 -31.5404 -13.0381 -13.0381 -12.9183 -12.9183 -12.8526 -12.8526 -12.6531 -12.6531 -12.5552 -12.5552 -12.5295 -12.5295 -12.4872 -12.4872 -12.4349 -12.4349 -12.3711 -12.3711 -8.5129 -8.5129 -7.6084 -7.6084 -7.6054 -7.6054 -5.0637 -5.0637 -5.0565 -5.0565 -5.0489 -5.0489 1.7264 1.7264 4.8359 4.8359 5.1793 5.1793 5.5749 5.5749 6.8678 6.8678 8.2413 8.2413 9.0546 9.0546 11.2876 11.2876 11.3143 11.3143 12.0321 12.0321 12.1918 12.1918 12.3212 12.3212 k = 0.2273 0.5000-0.0000 ( 4196 PWs) bands (ev): -31.5821 -31.5821 -31.5612 -31.5612 -31.5412 -31.5412 -13.0465 -13.0465 -12.9173 -12.9173 -12.8554 -12.8554 -12.6530 -12.6530 -12.5567 -12.5567 -12.5268 -12.5268 -12.4875 -12.4875 -12.4319 -12.4319 -12.3710 -12.3710 -8.4995 -8.4995 -7.6082 -7.6082 -7.6054 -7.6054 -5.0638 -5.0638 -5.0562 -5.0562 -5.0487 -5.0487 1.7396 1.7396 4.8212 4.8212 5.1328 5.1328 5.5690 5.5690 6.9047 6.9047 8.1877 8.1877 9.0422 9.0422 11.3228 11.3228 11.3542 11.3542 12.0163 12.0163 12.1607 12.1607 12.2746 12.2746 k = 0.2424 0.5000-0.0000 ( 4200 PWs) bands (ev): -31.5813 -31.5813 -31.5612 -31.5612 -31.5420 -31.5420 -13.0549 -13.0549 -12.9165 -12.9165 -12.8580 -12.8580 -12.6528 -12.6528 -12.5582 -12.5582 -12.5242 -12.5242 -12.4878 -12.4878 -12.4289 -12.4289 -12.3709 -12.3709 -8.4859 -8.4859 -7.6080 -7.6080 -7.6055 -7.6055 -5.0639 -5.0639 -5.0559 -5.0559 -5.0484 -5.0484 1.7531 1.7531 4.8061 4.8061 5.0866 5.0866 5.5631 5.5631 6.9415 6.9415 8.1350 8.1350 9.0309 9.0309 11.3595 11.3595 11.3952 11.3952 11.9953 11.9953 12.1312 12.1312 12.2320 12.2320 k = 0.2576 0.5000-0.0000 ( 4194 PWs) bands (ev): -31.5803 -31.5803 -31.5612 -31.5612 -31.5429 -31.5429 -13.0633 -13.0633 -12.9157 -12.9157 -12.8605 -12.8605 -12.6524 -12.6524 -12.5597 -12.5597 -12.5217 -12.5217 -12.4883 -12.4883 -12.4260 -12.4260 -12.3706 -12.3706 -8.4722 -8.4722 -7.6078 -7.6078 -7.6055 -7.6055 -5.0641 -5.0641 -5.0556 -5.0556 -5.0482 -5.0482 1.7668 1.7668 4.7907 4.7907 5.0412 5.0412 5.5571 5.5571 6.9777 6.9777 8.0841 8.0841 9.0207 9.0207 11.3975 11.3975 11.4374 11.4374 11.9684 11.9684 12.1035 12.1035 12.1943 12.1943 k = 0.2727 0.5000-0.0000 ( 4194 PWs) bands (ev): -31.5793 -31.5793 -31.5612 -31.5612 -31.5438 -31.5438 -13.0714 -13.0714 -12.9150 -12.9150 -12.8629 -12.8629 -12.6518 -12.6518 -12.5612 -12.5612 -12.5194 -12.5194 -12.4889 -12.4889 -12.4233 -12.4233 -12.3702 -12.3702 -8.4586 -8.4586 -7.6076 -7.6076 -7.6056 -7.6056 -5.0642 -5.0642 -5.0553 -5.0553 -5.0480 -5.0480 1.7807 1.7807 4.7751 4.7751 4.9968 4.9968 5.5512 5.5512 7.0128 7.0128 8.0356 8.0356 9.0114 9.0114 11.4365 11.4365 11.4805 11.4805 11.9351 11.9351 12.0775 12.0775 12.1618 12.1618 k = 0.2879 0.5000-0.0000 ( 4190 PWs) bands (ev): -31.5783 -31.5783 -31.5612 -31.5612 -31.5448 -31.5448 -13.0794 -13.0794 -12.9144 -12.9144 -12.8651 -12.8651 -12.6511 -12.6511 -12.5625 -12.5625 -12.5174 -12.5174 -12.4896 -12.4896 -12.4207 -12.4207 -12.3697 -12.3697 -8.4452 -8.4452 -7.6074 -7.6074 -7.6056 -7.6056 -5.0644 -5.0644 -5.0551 -5.0551 -5.0477 -5.0477 1.7946 1.7946 4.7596 4.7596 4.9537 4.9537 5.5454 5.5454 7.0466 7.0466 7.9901 7.9901 9.0030 9.0030 11.4763 11.4763 11.5242 11.5242 11.8962 11.8962 12.0532 12.0532 12.1344 12.1344 k = 0.3030 0.5000-0.0000 ( 4186 PWs) bands (ev): -31.5773 -31.5773 -31.5611 -31.5611 -31.5458 -31.5458 -13.0871 -13.0871 -12.9139 -12.9139 -12.8672 -12.8672 -12.6503 -12.6503 -12.5638 -12.5638 -12.5156 -12.5156 -12.4904 -12.4904 -12.4182 -12.4182 -12.3691 -12.3691 -8.4320 -8.4320 -7.6072 -7.6072 -7.6057 -7.6057 -5.0645 -5.0645 -5.0548 -5.0548 -5.0474 -5.0474 1.8083 1.8083 4.7442 4.7442 4.9123 4.9123 5.5398 5.5398 7.0784 7.0784 7.9484 7.9484 8.9954 8.9954 11.5166 11.5166 11.5684 11.5684 11.8529 11.8529 12.0306 12.0306 12.1110 12.1110 k = 0.3182 0.5000-0.0000 ( 4174 PWs) bands (ev): -31.5762 -31.5762 -31.5611 -31.5611 -31.5469 -31.5469 -13.0945 -13.0945 -12.9135 -12.9135 -12.8690 -12.8690 -12.6493 -12.6493 -12.5649 -12.5649 -12.5140 -12.5140 -12.4913 -12.4913 -12.4158 -12.4158 -12.3684 -12.3684 -8.4193 -8.4193 -7.6070 -7.6070 -7.6057 -7.6057 -5.0646 -5.0646 -5.0546 -5.0546 -5.0472 -5.0472 1.8218 1.8218 4.7291 4.7291 4.8728 4.8728 5.5343 5.5343 7.1077 7.1077 7.9108 7.9108 8.9886 8.9886 11.5572 11.5572 11.6127 11.6127 11.8067 11.8067 12.0098 12.0098 12.0907 12.0907 k = 0.3333 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5751 -31.5751 -31.5611 -31.5611 -31.5479 -31.5479 -13.1015 -13.1015 -12.9132 -12.9132 -12.8707 -12.8707 -12.6484 -12.6484 -12.5658 -12.5658 -12.5126 -12.5126 -12.4923 -12.4923 -12.4137 -12.4137 -12.3678 -12.3678 -8.4071 -8.4071 -7.6069 -7.6069 -7.6057 -7.6057 -5.0648 -5.0648 -5.0543 -5.0543 -5.0469 -5.0469 1.8349 1.8349 4.7144 4.7144 4.8355 4.8355 5.5291 5.5291 7.1340 7.1340 7.8780 7.8780 8.9825 8.9825 11.5976 11.5976 11.6568 11.6568 11.7591 11.7591 11.9907 11.9907 12.0726 12.0726 k = 0.3485 0.5000-0.0000 ( 4178 PWs) bands (ev): -31.5739 -31.5739 -31.5611 -31.5611 -31.5490 -31.5490 -13.1081 -13.1081 -12.9130 -12.9130 -12.8721 -12.8721 -12.6475 -12.6475 -12.5667 -12.5667 -12.5115 -12.5115 -12.4934 -12.4934 -12.4116 -12.4116 -12.3670 -12.3670 -8.3956 -8.3956 -7.6067 -7.6067 -7.6058 -7.6058 -5.0649 -5.0649 -5.0541 -5.0541 -5.0466 -5.0466 1.8474 1.8474 4.7003 4.7003 4.8006 4.8006 5.5243 5.5243 7.1570 7.1570 7.8502 7.8502 8.9771 8.9771 11.6377 11.6377 11.6992 11.6992 11.7124 11.7124 11.9734 11.9734 12.0562 12.0562 k = 0.3636 0.5000-0.0000 ( 4184 PWs) bands (ev): -31.5727 -31.5727 -31.5611 -31.5611 -31.5502 -31.5502 -13.1142 -13.1142 -12.9130 -12.9130 -12.8734 -12.8734 -12.6466 -12.6466 -12.5674 -12.5674 -12.5105 -12.5105 -12.4946 -12.4946 -12.4098 -12.4098 -12.3663 -12.3663 -8.3848 -8.3848 -7.6065 -7.6065 -7.6058 -7.6058 -5.0651 -5.0651 -5.0540 -5.0540 -5.0463 -5.0463 1.8593 1.8593 4.6870 4.6870 4.7683 4.7683 5.5197 5.5197 7.1762 7.1762 7.8275 7.8275 8.9723 8.9723 11.6629 11.6629 11.6778 11.6778 11.7433 11.7433 11.9579 11.9579 12.0412 12.0412 k = 0.3788 0.5000-0.0000 ( 4184 PWs) bands (ev): -31.5715 -31.5715 -31.5611 -31.5611 -31.5514 -31.5514 -13.1197 -13.1197 -12.9130 -12.9130 -12.8745 -12.8745 -12.6457 -12.6457 -12.5680 -12.5680 -12.5097 -12.5097 -12.4957 -12.4957 -12.4081 -12.4081 -12.3656 -12.3656 -8.3749 -8.3749 -7.6064 -7.6064 -7.6058 -7.6058 -5.0652 -5.0652 -5.0538 -5.0538 -5.0461 -5.0461 1.8703 1.8703 4.6745 4.6745 4.7389 4.7389 5.5156 5.5156 7.1916 7.1916 7.8101 7.8101 8.9682 8.9682 11.6186 11.6186 11.7150 11.7150 11.7840 11.7840 11.9441 11.9441 12.0277 12.0277 k = 0.3939 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5703 -31.5703 -31.5611 -31.5611 -31.5526 -31.5526 -13.1247 -13.1247 -12.9131 -12.9131 -12.8753 -12.8753 -12.6448 -12.6448 -12.5684 -12.5684 -12.5090 -12.5090 -12.4968 -12.4968 -12.4066 -12.4066 -12.3649 -12.3649 -8.3659 -8.3659 -7.6063 -7.6063 -7.6058 -7.6058 -5.0653 -5.0653 -5.0537 -5.0537 -5.0458 -5.0458 1.8805 1.8805 4.6631 4.6631 4.7125 4.7125 5.5118 5.5118 7.2032 7.2032 7.7975 7.7975 8.9647 8.9647 11.5765 11.5765 11.7510 11.7510 11.8227 11.8227 11.9320 11.9320 12.0154 12.0154 k = 0.4091 0.5000-0.0000 ( 4188 PWs) bands (ev): -31.5691 -31.5691 -31.5611 -31.5611 -31.5538 -31.5538 -13.1291 -13.1291 -12.9132 -12.9132 -12.8761 -12.8761 -12.6440 -12.6440 -12.5687 -12.5687 -12.5085 -12.5085 -12.4979 -12.4979 -12.4053 -12.4053 -12.3644 -12.3644 -8.3579 -8.3579 -7.6062 -7.6062 -7.6059 -7.6059 -5.0654 -5.0654 -5.0535 -5.0535 -5.0456 -5.0456 1.8895 1.8895 4.6529 4.6529 4.6894 4.6894 5.5085 5.5085 7.2114 7.2114 7.7891 7.7891 8.9617 8.9617 11.5381 11.5381 11.7843 11.7843 11.8584 11.8584 11.9218 11.9218 12.0046 12.0046 k = 0.4242 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5678 -31.5678 -31.5611 -31.5611 -31.5550 -31.5550 -13.1329 -13.1329 -12.9133 -12.9133 -12.8766 -12.8766 -12.6434 -12.6434 -12.5690 -12.5690 -12.5080 -12.5080 -12.4989 -12.4989 -12.4041 -12.4041 -12.3638 -12.3638 -8.3511 -8.3511 -7.6061 -7.6061 -7.6058 -7.6058 -5.0655 -5.0655 -5.0534 -5.0534 -5.0454 -5.0454 1.8974 1.8974 4.6439 4.6439 4.6696 4.6696 5.5056 5.5056 7.2167 7.2167 7.7842 7.7842 8.9593 8.9593 11.5041 11.5041 11.8145 11.8145 11.8900 11.8900 11.9138 11.9138 11.9953 11.9953 k = 0.4394 0.5000-0.0000 ( 4184 PWs) bands (ev): -31.5665 -31.5665 -31.5611 -31.5611 -31.5563 -31.5563 -13.1360 -13.1360 -12.9135 -12.9135 -12.8771 -12.8771 -12.6428 -12.6428 -12.5691 -12.5691 -12.5077 -12.5077 -12.4997 -12.4997 -12.4032 -12.4032 -12.3633 -12.3633 -8.3454 -8.3454 -7.6061 -7.6061 -7.6058 -7.6058 -5.0656 -5.0656 -5.0534 -5.0534 -5.0453 -5.0453 1.9040 1.9040 4.6363 4.6363 4.6533 4.6533 5.5032 5.5032 7.2198 7.2198 7.7818 7.7818 8.9574 8.9574 11.4752 11.4752 11.8406 11.8406 11.9039 11.9039 11.9207 11.9207 11.9876 11.9876 k = 0.4545 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5653 -31.5653 -31.5611 -31.5611 -31.5575 -31.5575 -13.1385 -13.1385 -12.9136 -12.9136 -12.8774 -12.8774 -12.6423 -12.6423 -12.5692 -12.5692 -12.5075 -12.5075 -12.5004 -12.5004 -12.4025 -12.4025 -12.3630 -12.3630 -8.3409 -8.3409 -7.6061 -7.6061 -7.6058 -7.6058 -5.0656 -5.0656 -5.0533 -5.0533 -5.0452 -5.0452 1.9092 1.9092 4.6301 4.6301 4.6408 4.6408 5.5014 5.5014 7.2214 7.2214 7.7810 7.7810 8.9560 8.9560 11.4522 11.4522 11.8619 11.8619 11.8998 11.8998 11.9422 11.9422 11.9816 11.9816 k = 0.4697 0.5000-0.0000 ( 4180 PWs) bands (ev): -31.5640 -31.5640 -31.5610 -31.5610 -31.5588 -31.5588 -13.1402 -13.1402 -12.9137 -12.9137 -12.8776 -12.8776 -12.6420 -12.6420 -12.5693 -12.5693 -12.5073 -12.5073 -12.5009 -12.5009 -12.4020 -12.4020 -12.3627 -12.3627 -8.3376 -8.3376 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0533 -5.0533 -5.0451 -5.0451 1.9130 1.9130 4.6251 4.6251 4.6323 4.6323 5.5000 5.5000 7.2221 7.2221 7.7810 7.7810 8.9550 8.9550 11.4353 11.4353 11.8770 11.8770 11.8969 11.8969 11.9584 11.9584 11.9777 11.9777 k = 0.4848 0.5000-0.0000 ( 4196 PWs) bands (ev): -31.5627 -31.5627 -31.5611 -31.5611 -31.5601 -31.5601 -13.1413 -13.1413 -12.9138 -12.9138 -12.8778 -12.8778 -12.6418 -12.6418 -12.5694 -12.5694 -12.5073 -12.5073 -12.5012 -12.5012 -12.4017 -12.4017 -12.3626 -12.3626 -8.3357 -8.3357 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0532 -5.0532 -5.0450 -5.0450 1.9152 1.9152 4.6216 4.6216 4.6276 4.6276 5.4992 5.4992 7.2223 7.2223 7.7813 7.7813 8.9544 8.9544 11.4251 11.4251 11.8848 11.8848 11.8968 11.8968 11.9670 11.9670 11.9766 11.9766 k = 0.5000 0.5000-0.0000 ( 4196 PWs) bands (ev): -31.5617 -31.5617 -31.5611 -31.5611 -31.5611 -31.5611 -13.1416 -13.1416 -12.9138 -12.9138 -12.8778 -12.8778 -12.6417 -12.6417 -12.5694 -12.5694 -12.5072 -12.5072 -12.5013 -12.5013 -12.4016 -12.4016 -12.3625 -12.3625 -8.3350 -8.3350 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0532 -5.0532 -5.0450 -5.0450 1.9160 1.9160 4.6202 4.6202 4.6262 4.6262 5.4990 5.4990 7.2223 7.2223 7.7815 7.7815 8.9542 8.9542 11.4216 11.4216 11.8864 11.8864 11.8977 11.8977 11.9688 11.9688 11.9774 11.9774 k = 0.5000 0.5000-0.0000 ( 4196 PWs) bands (ev): -31.5617 -31.5617 -31.5611 -31.5611 -31.5611 -31.5611 -13.1416 -13.1416 -12.9138 -12.9138 -12.8778 -12.8778 -12.6417 -12.6417 -12.5694 -12.5694 -12.5072 -12.5072 -12.5013 -12.5013 -12.4016 -12.4016 -12.3625 -12.3625 -8.3350 -8.3350 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0532 -5.0532 -5.0450 -5.0450 1.9160 1.9160 4.6202 4.6202 4.6262 4.6262 5.4990 5.4990 7.2223 7.2223 7.7815 7.7815 8.9542 8.9542 11.4216 11.4216 11.8864 11.8864 11.8977 11.8977 11.9688 11.9688 11.9774 11.9774 k = 0.4891 0.4891-0.0000 ( 4196 PWs) bands (ev): -31.5628 -31.5628 -31.5610 -31.5610 -31.5601 -31.5601 -13.1413 -13.1413 -12.9138 -12.9138 -12.8778 -12.8778 -12.6418 -12.6418 -12.5694 -12.5694 -12.5073 -12.5073 -12.5012 -12.5012 -12.4017 -12.4017 -12.3626 -12.3626 -8.3357 -8.3357 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0532 -5.0532 -5.0450 -5.0450 1.9152 1.9152 4.6217 4.6217 4.6276 4.6276 5.4992 5.4992 7.2223 7.2223 7.7813 7.7813 8.9544 8.9544 11.4251 11.4251 11.8850 11.8850 11.8964 11.8964 11.9670 11.9670 11.9766 11.9766 k = 0.4783 0.4783-0.0000 ( 4176 PWs) bands (ev): -31.5641 -31.5641 -31.5609 -31.5609 -31.5588 -31.5588 -13.1402 -13.1402 -12.9137 -12.9137 -12.8776 -12.8776 -12.6420 -12.6420 -12.5693 -12.5693 -12.5073 -12.5073 -12.5009 -12.5009 -12.4020 -12.4020 -12.3627 -12.3627 -8.3377 -8.3377 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0533 -5.0533 -5.0451 -5.0451 1.9129 1.9129 4.6258 4.6258 4.6319 4.6319 5.5001 5.5001 7.2222 7.2222 7.7809 7.7809 8.9550 8.9550 11.4355 11.4355 11.8800 11.8800 11.8935 11.8935 11.9588 11.9588 11.9772 11.9772 k = 0.4674 0.4674-0.0000 ( 4178 PWs) bands (ev): -31.5655 -31.5655 -31.5608 -31.5608 -31.5576 -31.5576 -13.1384 -13.1384 -12.9136 -12.9136 -12.8773 -12.8773 -12.6423 -12.6423 -12.5692 -12.5692 -12.5075 -12.5075 -12.5003 -12.5003 -12.4025 -12.4025 -12.3629 -12.3629 -8.3411 -8.3411 -7.6061 -7.6061 -7.6058 -7.6058 -5.0656 -5.0656 -5.0533 -5.0533 -5.0452 -5.0452 1.9089 1.9089 4.6324 4.6324 4.6393 4.6393 5.5015 5.5015 7.2220 7.2220 7.7805 7.7805 8.9561 8.9561 11.4519 11.4519 11.8702 11.8702 11.8902 11.8902 11.9438 11.9438 11.9803 11.9803 k = 0.4565 0.4565-0.0000 ( 4182 PWs) bands (ev): -31.5669 -31.5669 -31.5606 -31.5606 -31.5564 -31.5564 -13.1358 -13.1358 -12.9135 -12.9135 -12.8770 -12.8770 -12.6428 -12.6428 -12.5692 -12.5692 -12.5078 -12.5078 -12.4995 -12.4995 -12.4034 -12.4034 -12.3633 -12.3633 -8.3457 -8.3457 -7.6061 -7.6061 -7.6058 -7.6058 -5.0656 -5.0656 -5.0534 -5.0534 -5.0453 -5.0453 1.9034 1.9034 4.6412 4.6412 4.6500 4.6500 5.5034 5.5034 7.2218 7.2218 7.7803 7.7803 8.9576 8.9576 11.4729 11.4729 11.8555 11.8555 11.8867 11.8867 11.9247 11.9247 11.9851 11.9851 k = 0.4457 0.4457-0.0000 ( 4184 PWs) bands (ev): -31.5683 -31.5683 -31.5603 -31.5603 -31.5553 -31.5553 -13.1327 -13.1327 -12.9134 -12.9134 -12.8765 -12.8765 -12.6435 -12.6435 -12.5690 -12.5690 -12.5083 -12.5083 -12.4984 -12.4984 -12.4045 -12.4045 -12.3636 -12.3636 -8.3517 -8.3517 -7.6061 -7.6061 -7.6059 -7.6059 -5.0655 -5.0655 -5.0534 -5.0534 -5.0455 -5.0455 1.8964 1.8964 4.6521 4.6521 4.6639 4.6639 5.5058 5.5058 7.2214 7.2214 7.7807 7.7807 8.9596 8.9596 11.4960 11.4960 11.8366 11.8366 11.8822 11.8822 11.9047 11.9047 11.9912 11.9912 k = 0.4348 0.4348-0.0000 ( 4188 PWs) bands (ev): -31.5698 -31.5698 -31.5600 -31.5600 -31.5542 -31.5542 -13.1288 -13.1288 -12.9133 -12.9133 -12.8758 -12.8758 -12.6442 -12.6442 -12.5688 -12.5688 -12.5089 -12.5089 -12.4970 -12.4970 -12.4059 -12.4059 -12.3639 -12.3639 -8.3590 -8.3590 -7.6062 -7.6062 -7.6059 -7.6059 -5.0654 -5.0654 -5.0535 -5.0535 -5.0457 -5.0457 1.8878 1.8878 4.6651 4.6651 4.6809 4.6809 5.5088 5.5088 7.2210 7.2210 7.7821 7.7821 8.9623 8.9623 11.5176 11.5176 11.8140 11.8140 11.8745 11.8745 11.8897 11.8897 11.9984 11.9984 k = 0.4239 0.4239-0.0000 ( 4192 PWs) bands (ev): -31.5713 -31.5713 -31.5596 -31.5596 -31.5531 -31.5531 -13.1244 -13.1244 -12.9133 -12.9133 -12.8749 -12.8749 -12.6451 -12.6451 -12.5686 -12.5686 -12.5097 -12.5097 -12.4954 -12.4954 -12.4076 -12.4076 -12.3642 -12.3642 -8.3675 -8.3675 -7.6063 -7.6063 -7.6059 -7.6059 -5.0653 -5.0653 -5.0537 -5.0537 -5.0459 -5.0459 1.8778 1.8778 4.6803 4.6803 4.7009 4.7009 5.5123 5.5123 7.2206 7.2206 7.7849 7.7849 8.9656 8.9656 11.5320 11.5320 11.7880 11.7880 11.8652 11.8652 11.8833 11.8833 12.0063 12.0063 k = 0.4130 0.4130-0.0000 ( 4192 PWs) bands (ev): -31.5728 -31.5728 -31.5592 -31.5592 -31.5521 -31.5521 -13.1194 -13.1194 -12.9133 -12.9133 -12.8738 -12.8738 -12.6461 -12.6461 -12.5683 -12.5683 -12.5106 -12.5106 -12.4936 -12.4936 -12.4096 -12.4096 -12.3644 -12.3644 -8.3772 -8.3772 -7.6065 -7.6065 -7.6059 -7.6059 -5.0652 -5.0652 -5.0538 -5.0538 -5.0462 -5.0462 1.8663 1.8663 4.6975 4.6975 4.7237 4.7237 5.5163 5.5163 7.2203 7.2203 7.7897 7.7897 8.9696 8.9696 11.5333 11.5333 11.7590 11.7590 11.8628 11.8628 11.8822 11.8822 12.0147 12.0148 k = 0.4022 0.4022-0.0000 ( 4198 PWs) bands (ev): -31.5743 -31.5743 -31.5587 -31.5587 -31.5511 -31.5511 -13.1138 -13.1138 -12.9135 -12.9135 -12.8723 -12.8723 -12.6472 -12.6472 -12.5679 -12.5679 -12.5116 -12.5116 -12.4915 -12.4915 -12.4120 -12.4120 -12.3644 -12.3644 -8.3882 -8.3882 -7.6066 -7.6066 -7.6059 -7.6059 -5.0652 -5.0652 -5.0540 -5.0540 -5.0465 -5.0465 1.8534 1.8534 4.7169 4.7169 4.7490 4.7490 5.5207 5.5207 7.2204 7.2204 7.7967 7.7967 8.9745 8.9745 11.5183 11.5183 11.7272 11.7272 11.8642 11.8642 11.8917 11.8917 12.0233 12.0233 k = 0.3913 0.3913-0.0000 ( 4204 PWs) bands (ev): -31.5759 -31.5759 -31.5581 -31.5581 -31.5501 -31.5501 -13.1078 -13.1078 -12.9139 -12.9139 -12.8706 -12.8706 -12.6484 -12.6484 -12.5675 -12.5675 -12.5128 -12.5128 -12.4893 -12.4893 -12.4146 -12.4146 -12.3643 -12.3643 -8.4002 -8.4002 -7.6068 -7.6068 -7.6059 -7.6059 -5.0651 -5.0651 -5.0541 -5.0541 -5.0469 -5.0469 1.8391 1.8391 4.7382 4.7382 4.7768 4.7768 5.5255 5.5255 7.2210 7.2210 7.8063 7.8063 8.9803 8.9803 11.4888 11.4888 11.6930 11.6930 11.8626 11.8626 11.9153 11.9153 12.0318 12.0318 k = 0.3804 0.3804-0.0000 ( 4204 PWs) bands (ev): -31.5775 -31.5775 -31.5576 -31.5576 -31.5492 -31.5492 -13.1014 -13.1014 -12.9144 -12.9144 -12.8684 -12.8684 -12.6496 -12.6496 -12.5670 -12.5670 -12.5140 -12.5140 -12.4869 -12.4869 -12.4175 -12.4175 -12.3640 -12.3640 -8.4134 -8.4134 -7.6070 -7.6070 -7.6059 -7.6059 -5.0650 -5.0650 -5.0543 -5.0543 -5.0473 -5.0473 1.8235 1.8235 4.7614 4.7614 4.8068 4.8068 5.5308 5.5308 7.2225 7.2225 7.8188 7.8188 8.9870 8.9870 11.4485 11.4485 11.6568 11.6568 11.8592 11.8592 11.9453 11.9453 12.0396 12.0396 k = 0.3696 0.3696-0.0000 ( 4192 PWs) bands (ev): -31.5790 -31.5790 -31.5569 -31.5569 -31.5483 -31.5483 -13.0946 -13.0946 -12.9151 -12.9151 -12.8659 -12.8659 -12.6509 -12.6509 -12.5663 -12.5663 -12.5154 -12.5154 -12.4843 -12.4843 -12.4206 -12.4206 -12.3636 -12.3636 -8.4276 -8.4276 -7.6072 -7.6072 -7.6059 -7.6059 -5.0649 -5.0649 -5.0545 -5.0545 -5.0477 -5.0477 1.8066 1.8066 4.7865 4.7865 4.8388 4.8388 5.5365 5.5365 7.2253 7.2253 7.8343 7.8343 8.9949 8.9949 11.4012 11.4012 11.6188 11.6188 11.8552 11.8552 11.9743 11.9743 12.0463 12.0463 k = 0.3587 0.3587-0.0000 ( 4194 PWs) bands (ev): -31.5806 -31.5806 -31.5563 -31.5563 -31.5474 -31.5474 -13.0876 -13.0876 -12.9160 -12.9160 -12.8630 -12.8630 -12.6523 -12.6523 -12.5657 -12.5657 -12.5169 -12.5169 -12.4816 -12.4816 -12.4238 -12.4238 -12.3630 -12.3630 -8.4428 -8.4428 -7.6074 -7.6074 -7.6059 -7.6059 -5.0648 -5.0648 -5.0548 -5.0548 -5.0481 -5.0481 1.7885 1.7885 4.8133 4.8133 4.8727 4.8727 5.5425 5.5425 7.2299 7.2299 7.8529 7.8529 9.0039 9.0039 11.3491 11.3491 11.5795 11.5795 11.8506 11.8506 11.9966 11.9966 12.0513 12.0513 k = 0.3478 0.3478-0.0000 ( 4184 PWs) bands (ev): -31.5822 -31.5822 -31.5555 -31.5555 -31.5466 -31.5466 -13.0803 -13.0803 -12.9170 -12.9170 -12.8597 -12.8597 -12.6537 -12.6537 -12.5649 -12.5649 -12.5184 -12.5184 -12.4787 -12.4787 -12.4272 -12.4272 -12.3623 -12.3623 -8.4589 -8.4589 -7.6076 -7.6076 -7.6060 -7.6060 -5.0648 -5.0648 -5.0550 -5.0550 -5.0486 -5.0486 1.7692 1.7692 4.8417 4.8417 4.9080 4.9080 5.5488 5.5488 7.2367 7.2367 7.8748 7.8748 9.0141 9.0141 11.2940 11.2940 11.5390 11.5390 11.8453 11.8453 12.0079 12.0079 12.0542 12.0542 k = 0.3370 0.3370-0.0000 ( 4184 PWs) bands (ev): -31.5838 -31.5838 -31.5548 -31.5548 -31.5458 -31.5458 -13.0730 -13.0730 -12.9183 -12.9183 -12.8560 -12.8560 -12.6551 -12.6551 -12.5641 -12.5641 -12.5201 -12.5201 -12.4757 -12.4757 -12.4306 -12.4306 -12.3614 -12.3614 -8.4759 -8.4759 -7.6079 -7.6079 -7.6061 -7.6061 -5.0647 -5.0647 -5.0553 -5.0553 -5.0491 -5.0491 1.7489 1.7489 4.8716 4.8716 4.9447 4.9447 5.5554 5.5554 7.2461 7.2461 7.8999 7.8999 9.0257 9.0257 11.2370 11.2370 11.4977 11.4977 11.8392 11.8392 12.0057 12.0057 12.0545 12.0545 k = 0.3261 0.3261-0.0000 ( 4172 PWs) bands (ev): -31.5854 -31.5854 -31.5540 -31.5540 -31.5450 -31.5450 -13.0656 -13.0656 -12.9196 -12.9196 -12.8520 -12.8520 -12.6565 -12.6565 -12.5632 -12.5632 -12.5218 -12.5218 -12.4726 -12.4726 -12.4339 -12.4339 -12.3605 -12.3605 -8.4936 -8.4936 -7.6081 -7.6081 -7.6062 -7.6062 -5.0647 -5.0647 -5.0556 -5.0556 -5.0496 -5.0496 1.7277 1.7277 4.9029 4.9029 4.9824 4.9824 5.5623 5.5623 7.2588 7.2588 7.9283 7.9283 9.0387 9.0387 11.1787 11.1787 11.4558 11.4558 11.8320 11.8320 11.9897 11.9897 12.0515 12.0515 k = 0.3152 0.3152-0.0000 ( 4176 PWs) bands (ev): -31.5870 -31.5870 -31.5532 -31.5532 -31.5443 -31.5443 -13.0583 -13.0583 -12.9212 -12.9212 -12.8476 -12.8476 -12.6579 -12.6579 -12.5624 -12.5624 -12.5236 -12.5236 -12.4695 -12.4695 -12.4371 -12.4371 -12.3595 -12.3595 -8.5121 -8.5121 -7.6084 -7.6084 -7.6063 -7.6063 -5.0647 -5.0647 -5.0559 -5.0559 -5.0501 -5.0501 1.7055 1.7055 4.9354 4.9354 5.0209 5.0209 5.5694 5.5694 7.2750 7.2750 7.9598 7.9598 9.0532 9.0532 11.1197 11.1197 11.4136 11.4136 11.8234 11.8234 11.9607 11.9607 12.0448 12.0448 k = 0.3043 0.3043-0.0000 ( 4176 PWs) bands (ev): -31.5886 -31.5886 -31.5524 -31.5524 -31.5436 -31.5436 -13.0511 -13.0511 -12.9229 -12.9229 -12.8430 -12.8430 -12.6592 -12.6592 -12.5615 -12.5615 -12.5255 -12.5255 -12.4664 -12.4664 -12.4399 -12.4399 -12.3584 -12.3584 -8.5313 -8.5313 -7.6087 -7.6087 -7.6064 -7.6064 -5.0648 -5.0648 -5.0563 -5.0563 -5.0507 -5.0507 1.6825 1.6825 4.9691 4.9691 5.0598 5.0598 5.5767 5.5767 7.2952 7.2952 7.9946 7.9946 9.0692 9.0692 11.0604 11.0604 11.3712 11.3712 11.8129 11.8129 11.9211 11.9211 12.0339 12.0339 k = 0.2935 0.2935-0.0000 ( 4168 PWs) bands (ev): -31.5902 -31.5902 -31.5515 -31.5515 -31.5429 -31.5429 -13.0441 -13.0441 -12.9248 -12.9248 -12.8380 -12.8380 -12.6604 -12.6604 -12.5606 -12.5606 -12.5274 -12.5274 -12.4634 -12.4634 -12.4423 -12.4423 -12.3572 -12.3572 -8.5510 -8.5510 -7.6089 -7.6089 -7.6066 -7.6066 -5.0648 -5.0648 -5.0566 -5.0566 -5.0513 -5.0513 1.6588 1.6588 5.0038 5.0038 5.0990 5.0990 5.5841 5.5841 7.3199 7.3199 8.0325 8.0325 9.0869 9.0869 11.0012 11.0012 11.3289 11.3289 11.8001 11.8001 11.8732 11.8732 12.0185 12.0185 k = 0.2826 0.2826-0.0000 ( 4180 PWs) bands (ev): -31.5918 -31.5918 -31.5507 -31.5507 -31.5423 -31.5423 -13.0374 -13.0374 -12.9268 -12.9268 -12.8329 -12.8329 -12.6615 -12.6615 -12.5597 -12.5597 -12.5293 -12.5293 -12.4610 -12.4610 -12.4438 -12.4438 -12.3560 -12.3560 -8.5712 -8.5712 -7.6092 -7.6092 -7.6068 -7.6068 -5.0649 -5.0649 -5.0570 -5.0570 -5.0519 -5.0519 1.6346 1.6346 5.0393 5.0393 5.1382 5.1382 5.5916 5.5916 7.3492 7.3492 8.0735 8.0735 9.1063 9.1063 10.9423 10.9423 11.2868 11.2868 11.7843 11.7843 11.8191 11.8191 11.9984 11.9984 k = 0.2717 0.2717-0.0000 ( 4182 PWs) bands (ev): -31.5933 -31.5933 -31.5498 -31.5498 -31.5417 -31.5417 -13.0309 -13.0309 -12.9289 -12.9289 -12.8277 -12.8277 -12.6623 -12.6623 -12.5588 -12.5588 -12.5312 -12.5312 -12.4596 -12.4596 -12.4439 -12.4439 -12.3547 -12.3547 -8.5918 -8.5918 -7.6095 -7.6095 -7.6071 -7.6071 -5.0650 -5.0650 -5.0574 -5.0574 -5.0525 -5.0525 1.6098 1.6098 5.0754 5.0754 5.1771 5.1771 5.5992 5.5992 7.3835 7.3835 8.1176 8.1176 9.1275 9.1275 10.8839 10.8839 11.2452 11.2452 11.7597 11.7597 11.7661 11.7661 11.9735 11.9735 k = 0.2609 0.2609-0.0000 ( 4180 PWs) bands (ev): -31.5948 -31.5948 -31.5489 -31.5489 -31.5411 -31.5411 -13.0249 -13.0249 -12.9311 -12.9311 -12.8223 -12.8223 -12.6629 -12.6629 -12.5580 -12.5580 -12.5332 -12.5332 -12.4595 -12.4595 -12.4422 -12.4422 -12.3534 -12.3534 -8.6127 -8.6127 -7.6098 -7.6098 -7.6073 -7.6073 -5.0651 -5.0651 -5.0579 -5.0579 -5.0532 -5.0532 1.5847 1.5847 5.1121 5.1121 5.2156 5.2156 5.6068 5.6068 7.4230 7.4230 8.1647 8.1647 9.1505 9.1505 10.8264 10.8264 11.2041 11.2041 11.6990 11.6990 11.7423 11.7423 11.9440 11.9440 k = 0.2500 0.2500-0.0000 ( 4174 PWs) bands (ev): -31.5963 -31.5963 -31.5480 -31.5480 -31.5406 -31.5406 -13.0192 -13.0192 -12.9333 -12.9333 -12.8170 -12.8170 -12.6633 -12.6633 -12.5572 -12.5572 -12.5350 -12.5350 -12.4603 -12.4603 -12.4391 -12.4391 -12.3521 -12.3521 -8.6338 -8.6338 -7.6101 -7.6101 -7.6076 -7.6076 -5.0652 -5.0652 -5.0583 -5.0583 -5.0539 -5.0539 1.5594 1.5594 5.1492 5.1492 5.2533 5.2533 5.6143 5.6143 7.4677 7.4677 8.2150 8.2150 9.1755 9.1755 10.7697 10.7697 11.1637 11.1637 11.6360 11.6360 11.7143 11.7143 11.9100 11.9100 k = 0.2391 0.2391-0.0000 ( 4174 PWs) bands (ev): -31.5978 -31.5978 -31.5472 -31.5472 -31.5401 -31.5401 -13.0139 -13.0139 -12.9357 -12.9357 -12.8119 -12.8119 -12.6633 -12.6633 -12.5565 -12.5565 -12.5368 -12.5368 -12.4615 -12.4615 -12.4351 -12.4351 -12.3507 -12.3507 -8.6551 -8.6551 -7.6104 -7.6104 -7.6079 -7.6079 -5.0653 -5.0653 -5.0588 -5.0588 -5.0545 -5.0545 1.5340 1.5340 5.1864 5.1864 5.2901 5.2901 5.6219 5.6219 7.5176 7.5176 8.2683 8.2683 9.2025 9.2025 10.7142 10.7142 11.1242 11.1242 11.5723 11.5723 11.6809 11.6809 11.8719 11.8719 k = 0.2283 0.2283-0.0000 ( 4172 PWs) bands (ev): -31.5992 -31.5992 -31.5463 -31.5463 -31.5396 -31.5396 -13.0091 -13.0091 -12.9381 -12.9381 -12.8071 -12.8071 -12.6629 -12.6629 -12.5559 -12.5559 -12.5385 -12.5385 -12.4628 -12.4628 -12.4306 -12.4306 -12.3494 -12.3494 -8.6763 -8.6763 -7.6107 -7.6107 -7.6082 -7.6082 -5.0655 -5.0655 -5.0592 -5.0592 -5.0552 -5.0552 1.5085 1.5085 5.2237 5.2237 5.3259 5.3259 5.6293 5.6293 7.5728 7.5728 8.3248 8.3248 9.2314 9.2314 10.6599 10.6599 11.0857 11.0857 11.5085 11.5085 11.6414 11.6414 11.8303 11.8303 k = 0.2174 0.2174-0.0000 ( 4170 PWs) bands (ev): -31.6007 -31.6007 -31.5454 -31.5454 -31.5391 -31.5391 -13.0047 -13.0047 -12.9405 -12.9405 -12.8027 -12.8027 -12.6621 -12.6621 -12.5553 -12.5553 -12.5401 -12.5401 -12.4639 -12.4639 -12.4257 -12.4257 -12.3481 -12.3481 -8.6976 -8.6976 -7.6110 -7.6110 -7.6086 -7.6086 -5.0657 -5.0657 -5.0597 -5.0597 -5.0559 -5.0559 1.4832 1.4832 5.2607 5.2607 5.3605 5.3605 5.6367 5.6367 7.6331 7.6331 8.3844 8.3844 9.2625 9.2625 10.6071 10.6071 11.0483 11.0483 11.4453 11.4453 11.5958 11.5958 11.7855 11.7855 k = 0.2065 0.2065-0.0000 ( 4154 PWs) bands (ev): -31.6020 -31.6020 -31.5445 -31.5445 -31.5387 -31.5387 -13.0007 -13.0007 -12.9430 -12.9430 -12.7986 -12.7986 -12.6608 -12.6608 -12.5548 -12.5548 -12.5415 -12.5415 -12.4649 -12.4649 -12.4204 -12.4204 -12.3467 -12.3467 -8.7186 -8.7186 -7.6113 -7.6113 -7.6089 -7.6089 -5.0659 -5.0659 -5.0602 -5.0602 -5.0567 -5.0567 1.4582 1.4582 5.2975 5.2975 5.3938 5.3938 5.6439 5.6439 7.6984 7.6984 8.4472 8.4472 9.2956 9.2956 10.5557 10.5557 11.0121 11.0121 11.3832 11.3832 11.5438 11.5438 11.7379 11.7379 k = 0.1957 0.1957-0.0000 ( 4150 PWs) bands (ev): -31.6033 -31.6033 -31.5437 -31.5437 -31.5383 -31.5383 -12.9971 -12.9971 -12.9455 -12.9455 -12.7951 -12.7951 -12.6591 -12.6591 -12.5543 -12.5543 -12.5428 -12.5428 -12.4657 -12.4657 -12.4149 -12.4149 -12.3455 -12.3455 -8.7394 -8.7394 -7.6116 -7.6116 -7.6093 -7.6093 -5.0660 -5.0660 -5.0607 -5.0607 -5.0574 -5.0574 1.4336 1.4336 5.3337 5.3337 5.4257 5.4257 5.6509 5.6509 7.7683 7.7683 8.5133 8.5133 9.3308 9.3308 10.5061 10.5061 10.9772 10.9772 11.3224 11.3224 11.4858 11.4858 11.6876 11.6876 k = 0.1848 0.1848-0.0000 ( 4150 PWs) bands (ev): -31.6046 -31.6046 -31.5428 -31.5428 -31.5379 -31.5379 -12.9939 -12.9939 -12.9481 -12.9481 -12.7921 -12.7921 -12.6571 -12.6571 -12.5540 -12.5540 -12.5439 -12.5439 -12.4663 -12.4663 -12.4091 -12.4091 -12.3442 -12.3442 -8.7598 -8.7598 -7.6119 -7.6119 -7.6097 -7.6097 -5.0662 -5.0662 -5.0612 -5.0612 -5.0581 -5.0581 1.4095 1.4095 5.3692 5.3692 5.4562 5.4562 5.6577 5.6577 7.8424 7.8424 8.5827 8.5827 9.3682 9.3682 10.4582 10.4582 10.9437 10.9437 11.2634 11.2634 11.4224 11.4224 11.6345 11.6345 k = 0.1739 0.1739-0.0000 ( 4160 PWs) bands (ev): -31.6058 -31.6058 -31.5420 -31.5420 -31.5376 -31.5376 -12.9912 -12.9912 -12.9507 -12.9507 -12.7896 -12.7896 -12.6547 -12.6547 -12.5538 -12.5538 -12.5450 -12.5450 -12.4667 -12.4667 -12.4031 -12.4031 -12.3430 -12.3430 -8.7798 -8.7798 -7.6122 -7.6122 -7.6101 -7.6101 -5.0664 -5.0664 -5.0617 -5.0617 -5.0588 -5.0588 1.3860 1.3860 5.4039 5.4039 5.4852 5.4852 5.6643 5.6643 7.9204 7.9204 8.6555 8.6555 9.4076 9.4076 10.4122 10.4122 10.9117 10.9117 11.2061 11.2061 11.3544 11.3544 11.5788 11.5788 k = 0.1630 0.1630-0.0000 ( 4160 PWs) bands (ev): -31.6070 -31.6070 -31.5413 -31.5413 -31.5372 -31.5372 -12.9887 -12.9887 -12.9532 -12.9532 -12.7876 -12.7876 -12.6521 -12.6521 -12.5536 -12.5536 -12.5459 -12.5459 -12.4669 -12.4669 -12.3970 -12.3970 -12.3419 -12.3419 -8.7991 -8.7991 -7.6124 -7.6124 -7.6106 -7.6106 -5.0666 -5.0666 -5.0622 -5.0622 -5.0595 -5.0595 1.3633 1.3633 5.4375 5.4375 5.5127 5.5127 5.6706 5.6706 8.0018 8.0018 8.7319 8.7319 9.4491 9.4491 10.3683 10.3683 10.8812 10.8812 11.1507 11.1507 11.2829 11.2829 11.5205 11.5205 k = 0.1522 0.1522-0.0000 ( 4168 PWs) bands (ev): -31.6081 -31.6081 -31.5405 -31.5405 -31.5369 -31.5369 -12.9866 -12.9866 -12.9557 -12.9557 -12.7862 -12.7862 -12.6492 -12.6492 -12.5534 -12.5534 -12.5467 -12.5467 -12.4670 -12.4670 -12.3908 -12.3908 -12.3408 -12.3408 -8.8178 -8.8178 -7.6127 -7.6127 -7.6110 -7.6110 -5.0669 -5.0669 -5.0626 -5.0626 -5.0603 -5.0603 1.3415 1.3415 5.4698 5.4698 5.5386 5.5386 5.6766 5.6766 8.0861 8.0861 8.8118 8.8118 9.4927 9.4927 10.3267 10.3267 10.8524 10.8524 11.0966 11.0967 11.2092 11.2092 11.4595 11.4595 k = 0.1413 0.1413-0.0000 ( 4164 PWs) bands (ev): -31.6092 -31.6092 -31.5398 -31.5398 -31.5367 -31.5367 -12.9848 -12.9848 -12.9582 -12.9582 -12.7850 -12.7850 -12.6463 -12.6463 -12.5533 -12.5533 -12.5474 -12.5474 -12.4670 -12.4670 -12.3845 -12.3845 -12.3397 -12.3397 -8.8358 -8.8358 -7.6129 -7.6129 -7.6114 -7.6114 -5.0671 -5.0671 -5.0631 -5.0631 -5.0609 -5.0609 1.3206 1.3206 5.5007 5.5007 5.5629 5.5629 5.6824 5.6824 8.1725 8.1725 8.8954 8.8954 9.5382 9.5382 10.2874 10.2874 10.8252 10.8252 11.0431 11.0431 11.1355 11.1355 11.3962 11.3962 k = 0.1304 0.1304-0.0000 ( 4168 PWs) bands (ev): -31.6101 -31.6101 -31.5391 -31.5391 -31.5364 -31.5364 -12.9832 -12.9832 -12.9606 -12.9606 -12.7843 -12.7843 -12.6433 -12.6433 -12.5531 -12.5531 -12.5480 -12.5480 -12.4668 -12.4668 -12.3783 -12.3783 -12.3387 -12.3387 -8.8528 -8.8528 -7.6131 -7.6131 -7.6118 -7.6118 -5.0673 -5.0673 -5.0635 -5.0635 -5.0616 -5.0616 1.3009 1.3009 5.5300 5.5300 5.5857 5.5857 5.6878 5.6878 8.2604 8.2604 8.9825 8.9825 9.5856 9.5856 10.2507 10.2507 10.7998 10.7998 10.9875 10.9875 11.0650 11.0650 11.3309 11.3309 k = 0.1196 0.1196-0.0000 ( 4172 PWs) bands (ev): -31.6111 -31.6111 -31.5385 -31.5385 -31.5362 -31.5362 -12.9819 -12.9819 -12.9629 -12.9629 -12.7838 -12.7838 -12.6405 -12.6405 -12.5530 -12.5530 -12.5486 -12.5486 -12.4666 -12.4666 -12.3722 -12.3722 -12.3377 -12.3377 -8.8689 -8.8689 -7.6134 -7.6134 -7.6122 -7.6122 -5.0675 -5.0675 -5.0639 -5.0639 -5.0623 -5.0623 1.2824 1.2824 5.5575 5.5575 5.6068 5.6068 5.6929 5.6929 8.3490 8.3490 9.0731 9.0731 9.6346 9.6346 10.2168 10.2168 10.7762 10.7762 10.9255 10.9255 11.0032 11.0032 11.2639 11.2639 k = 0.1087 0.1087-0.0000 ( 4168 PWs) bands (ev): -31.6119 -31.6119 -31.5379 -31.5379 -31.5360 -31.5360 -12.9808 -12.9808 -12.9650 -12.9650 -12.7835 -12.7835 -12.6377 -12.6377 -12.5528 -12.5528 -12.5490 -12.5490 -12.4662 -12.4662 -12.3662 -12.3662 -12.3369 -12.3369 -8.8840 -8.8840 -7.6136 -7.6136 -7.6125 -7.6125 -5.0677 -5.0677 -5.0643 -5.0643 -5.0629 -5.0629 1.2651 1.2651 5.5829 5.5829 5.6263 5.6263 5.6977 5.6977 8.4377 8.4377 9.1669 9.1669 9.6849 9.6849 10.1861 10.1861 10.7545 10.7545 10.8558 10.8558 10.9522 10.9522 11.1957 11.1957 k = 0.0978 0.0978-0.0000 ( 4168 PWs) bands (ev): -31.6127 -31.6127 -31.5374 -31.5374 -31.5358 -31.5358 -12.9798 -12.9798 -12.9671 -12.9671 -12.7834 -12.7834 -12.6352 -12.6352 -12.5526 -12.5526 -12.5495 -12.5495 -12.4659 -12.4659 -12.3605 -12.3605 -12.3361 -12.3361 -8.8979 -8.8979 -7.6138 -7.6138 -7.6129 -7.6129 -5.0678 -5.0678 -5.0646 -5.0646 -5.0634 -5.0634 1.2493 1.2493 5.6063 5.6063 5.6441 5.6441 5.7023 5.7023 8.5254 8.5254 9.2633 9.2633 9.7359 9.7359 10.1593 10.1593 10.7343 10.7343 10.7824 10.7824 10.9094 10.9094 11.1269 11.1269 k = 0.0870 0.0870-0.0000 ( 4164 PWs) bands (ev): -31.6134 -31.6134 -31.5369 -31.5369 -31.5356 -31.5356 -12.9790 -12.9790 -12.9690 -12.9690 -12.7834 -12.7834 -12.6328 -12.6328 -12.5524 -12.5524 -12.5498 -12.5498 -12.4655 -12.4655 -12.3552 -12.3552 -12.3353 -12.3353 -8.9106 -8.9106 -7.6139 -7.6139 -7.6132 -7.6132 -5.0680 -5.0680 -5.0649 -5.0649 -5.0640 -5.0640 1.2348 1.2348 5.6272 5.6272 5.6604 5.6604 5.7065 5.7065 8.6113 8.6113 9.3615 9.3615 9.7866 9.7866 10.1376 10.1376 10.7047 10.7047 10.7202 10.7202 10.8718 10.8718 11.0580 11.0580 k = 0.0761 0.0761-0.0000 ( 4154 PWs) bands (ev): -31.6140 -31.6140 -31.5364 -31.5364 -31.5354 -31.5354 -12.9784 -12.9784 -12.9707 -12.9707 -12.7834 -12.7834 -12.6307 -12.6307 -12.5521 -12.5521 -12.5501 -12.5501 -12.4651 -12.4651 -12.3502 -12.3502 -12.3347 -12.3347 -8.9220 -8.9220 -7.6141 -7.6141 -7.6135 -7.6135 -5.0682 -5.0682 -5.0652 -5.0652 -5.0644 -5.0644 1.2220 1.2220 5.6455 5.6455 5.6751 5.6751 5.7104 5.7104 8.6943 8.6943 9.4601 9.4601 9.8345 9.8345 10.1234 10.1234 10.6356 10.6356 10.7022 10.7022 10.8378 10.8378 10.9900 10.9900 k = 0.0652 0.0652-0.0000 ( 4173 PWs) bands (ev): -31.6146 -31.6146 -31.5360 -31.5360 -31.5353 -31.5353 -12.9779 -12.9779 -12.9722 -12.9722 -12.7836 -12.7836 -12.6289 -12.6289 -12.5519 -12.5519 -12.5504 -12.5504 -12.4647 -12.4647 -12.3458 -12.3458 -12.3342 -12.3342 -8.9320 -8.9320 -7.6142 -7.6142 -7.6138 -7.6138 -5.0683 -5.0683 -5.0654 -5.0654 -5.0649 -5.0649 1.2107 1.2107 5.6610 5.6610 5.6883 5.6883 5.7141 5.7141 8.7732 8.7732 9.5570 9.5570 9.8755 9.8755 10.1213 10.1213 10.5692 10.5692 10.6881 10.6881 10.8061 10.8061 10.9237 10.9237 k = 0.0543 0.0543-0.0000 ( 4163 PWs) bands (ev): -31.6150 -31.6150 -31.5357 -31.5357 -31.5352 -31.5352 -12.9775 -12.9775 -12.9735 -12.9735 -12.7837 -12.7837 -12.6273 -12.6273 -12.5517 -12.5517 -12.5506 -12.5506 -12.4643 -12.4643 -12.3419 -12.3419 -12.3337 -12.3337 -8.9406 -8.9406 -7.6143 -7.6143 -7.6140 -7.6140 -5.0685 -5.0685 -5.0656 -5.0656 -5.0652 -5.0652 1.2010 1.2010 5.6736 5.6736 5.6998 5.6998 5.7176 5.7176 8.8464 8.8464 9.6492 9.6492 9.9032 9.9032 10.1381 10.1381 10.5097 10.5097 10.6764 10.6764 10.7755 10.7755 10.8608 10.8608 k = 0.0435 0.0435-0.0000 ( 4155 PWs) bands (ev): -31.6154 -31.6154 -31.5354 -31.5354 -31.5351 -31.5351 -12.9771 -12.9771 -12.9746 -12.9746 -12.7839 -12.7839 -12.6260 -12.6260 -12.5515 -12.5515 -12.5508 -12.5508 -12.4640 -12.4640 -12.3386 -12.3386 -12.3333 -12.3333 -8.9477 -8.9477 -7.6144 -7.6144 -7.6142 -7.6142 -5.0686 -5.0686 -5.0658 -5.0658 -5.0655 -5.0655 1.1930 1.1930 5.6834 5.6834 5.7096 5.7096 5.7209 5.7209 8.9119 8.9119 9.7328 9.7328 9.9146 9.9146 10.1770 10.1770 10.4596 10.4596 10.6667 10.6667 10.7441 10.7441 10.8030 10.8030 k = 0.0326 0.0326-0.0000 ( 4151 PWs) bands (ev): -31.6157 -31.6157 -31.5352 -31.5352 -31.5350 -31.5350 -12.9769 -12.9769 -12.9754 -12.9754 -12.7840 -12.7840 -12.6250 -12.6250 -12.5513 -12.5513 -12.5509 -12.5509 -12.4638 -12.4638 -12.3361 -12.3361 -12.3330 -12.3330 -8.9533 -8.9533 -7.6145 -7.6145 -7.6144 -7.6144 -5.0687 -5.0687 -5.0659 -5.0659 -5.0658 -5.0658 1.1868 1.1868 5.6904 5.6904 5.7175 5.7175 5.7237 5.7237 8.9675 8.9675 9.8034 9.8034 9.9140 9.9140 10.2333 10.2333 10.4210 10.4210 10.6590 10.6590 10.7107 10.7107 10.7526 10.7526 k = 0.0217 0.0217-0.0000 ( 4151 PWs) bands (ev): -31.6159 -31.6159 -31.5351 -31.5351 -31.5350 -31.5350 -12.9767 -12.9767 -12.9761 -12.9761 -12.7841 -12.7841 -12.6243 -12.6243 -12.5512 -12.5512 -12.5510 -12.5510 -12.4636 -12.4636 -12.3342 -12.3342 -12.3328 -12.3328 -8.9573 -8.9573 -7.6145 -7.6145 -7.6145 -7.6145 -5.0687 -5.0687 -5.0660 -5.0660 -5.0659 -5.0659 1.1823 1.1823 5.6951 5.6951 5.7233 5.7233 5.7260 5.7260 9.0103 9.0103 9.8565 9.8565 9.9083 9.9083 10.2968 10.2968 10.3949 10.3949 10.6532 10.6532 10.6778 10.6778 10.7094 10.7094 k = 0.0109 0.0109-0.0000 ( 4151 PWs) bands (ev): -31.6161 -31.6161 -31.5350 -31.5350 -31.5350 -31.5350 -12.9766 -12.9766 -12.9765 -12.9765 -12.7841 -12.7841 -12.6239 -12.6239 -12.5511 -12.5511 -12.5510 -12.5510 -12.4635 -12.4635 -12.3330 -12.3330 -12.3327 -12.3327 -8.9597 -8.9597 -7.6146 -7.6146 -7.6146 -7.6146 -5.0688 -5.0688 -5.0661 -5.0661 -5.0661 -5.0661 1.1796 1.1796 5.6977 5.6977 5.7269 5.7269 5.7275 5.7275 9.0375 9.0375 9.8893 9.8893 9.9026 9.9026 10.3525 10.3525 10.3809 10.3809 10.6481 10.6481 10.6530 10.6530 10.6750 10.6750 k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -31.6161 -31.6161 -31.5349 -31.5349 -31.5349 -31.5349 -12.9766 -12.9766 -12.9766 -12.9766 -12.7841 -12.7841 -12.6238 -12.6238 -12.5510 -12.5510 -12.5510 -12.5510 -12.4634 -12.4634 -12.3325 -12.3325 -12.3325 -12.3325 -8.9605 -8.9605 -7.6146 -7.6146 -7.6146 -7.6146 -5.0688 -5.0688 -5.0661 -5.0661 -5.0661 -5.0661 1.1788 1.1788 5.6986 5.6986 5.7281 5.7281 5.7281 5.7281 9.0469 9.0469 9.9004 9.9004 9.9004 9.9004 10.3766 10.3766 10.3766 10.3766 10.6437 10.6437 10.6437 10.6437 10.6622 10.6622 k = 0.0000 0.0000 0.0000 ( 4139 PWs) bands (ev): -31.6161 -31.6161 -31.5349 -31.5349 -31.5349 -31.5349 -12.9766 -12.9766 -12.9766 -12.9766 -12.7841 -12.7841 -12.6238 -12.6238 -12.5510 -12.5510 -12.5510 -12.5510 -12.4634 -12.4634 -12.3325 -12.3325 -12.3325 -12.3325 -8.9605 -8.9605 -7.6146 -7.6146 -7.6146 -7.6146 -5.0688 -5.0688 -5.0661 -5.0661 -5.0661 -5.0661 1.1788 1.1788 5.6986 5.6986 5.7281 5.7281 5.7281 5.7281 9.0469 9.0469 9.9004 9.9004 9.9004 9.9004 10.3766 10.3766 10.3766 10.3766 10.6437 10.6437 10.6437 10.6437 10.6622 10.6622 k = 0.0088 0.0088 0.0088 ( 4148 PWs) bands (ev): -31.6161 -31.6161 -31.5350 -31.5350 -31.5350 -31.5350 -12.9766 -12.9766 -12.9765 -12.9765 -12.7841 -12.7841 -12.6239 -12.6239 -12.5511 -12.5511 -12.5510 -12.5510 -12.4635 -12.4635 -12.3330 -12.3330 -12.3326 -12.3326 -8.9597 -8.9597 -7.6146 -7.6146 -7.6146 -7.6146 -5.0688 -5.0688 -5.0661 -5.0661 -5.0661 -5.0661 1.1796 1.1796 5.6978 5.6978 5.7271 5.7271 5.7274 5.7274 9.0377 9.0377 9.8896 9.8896 9.9025 9.9025 10.3516 10.3516 10.3824 10.3824 10.6499 10.6499 10.6509 10.6509 10.6746 10.6746 k = 0.0175 0.0175 0.0175 ( 4148 PWs) bands (ev): -31.6159 -31.6159 -31.5350 -31.5350 -31.5350 -31.5350 -12.9768 -12.9768 -12.9760 -12.9760 -12.7841 -12.7841 -12.6243 -12.6243 -12.5511 -12.5511 -12.5510 -12.5510 -12.4636 -12.4636 -12.3342 -12.3342 -12.3327 -12.3327 -8.9573 -8.9573 -7.6145 -7.6145 -7.6145 -7.6145 -5.0687 -5.0687 -5.0660 -5.0660 -5.0660 -5.0660 1.1823 1.1823 5.6953 5.6953 5.7242 5.7242 5.7252 5.7252 9.0114 9.0114 9.8595 9.8595 9.9047 9.9047 10.2973 10.2973 10.3975 10.3975 10.6590 10.6590 10.6726 10.6726 10.7060 10.7060 k = 0.0263 0.0263 0.0263 ( 4145 PWs) bands (ev): -31.6157 -31.6157 -31.5351 -31.5351 -31.5351 -31.5351 -12.9770 -12.9770 -12.9754 -12.9754 -12.7840 -12.7840 -12.6250 -12.6250 -12.5512 -12.5512 -12.5510 -12.5510 -12.4637 -12.4637 -12.3360 -12.3360 -12.3329 -12.3329 -8.9534 -8.9534 -7.6145 -7.6145 -7.6144 -7.6144 -5.0687 -5.0687 -5.0659 -5.0659 -5.0658 -5.0658 1.1866 1.1866 5.6911 5.6911 5.7193 5.7193 5.7218 5.7218 8.9702 8.9702 9.8153 9.8153 9.8938 9.8938 10.2474 10.2474 10.4172 10.4172 10.6715 10.6715 10.7082 10.7082 10.7393 10.7393 k = 0.0351 0.0351 0.0351 ( 4148 PWs) bands (ev): -31.6154 -31.6154 -31.5353 -31.5353 -31.5353 -31.5353 -12.9773 -12.9773 -12.9744 -12.9744 -12.7838 -12.7838 -12.6260 -12.6260 -12.5513 -12.5513 -12.5509 -12.5509 -12.4640 -12.4640 -12.3386 -12.3386 -12.3331 -12.3331 -8.9480 -8.9480 -7.6144 -7.6144 -7.6142 -7.6142 -5.0686 -5.0686 -5.0658 -5.0658 -5.0656 -5.0656 1.1927 1.1927 5.6851 5.6851 5.7125 5.7125 5.7170 5.7170 8.9175 8.9175 9.7619 9.7619 9.8536 9.8536 10.2268 10.2268 10.4379 10.4379 10.6888 10.6888 10.7564 10.7564 10.7694 10.7694 k = 0.0439 0.0439 0.0439 ( 4166 PWs) bands (ev): -31.6151 -31.6151 -31.5354 -31.5354 -31.5354 -31.5354 -12.9778 -12.9778 -12.9733 -12.9733 -12.7837 -12.7837 -12.6273 -12.6273 -12.5514 -12.5514 -12.5509 -12.5509 -12.4643 -12.4643 -12.3419 -12.3419 -12.3335 -12.3335 -8.9410 -8.9410 -7.6143 -7.6143 -7.6140 -7.6140 -5.0685 -5.0685 -5.0656 -5.0656 -5.0653 -5.0653 1.2005 1.2005 5.6773 5.6773 5.7039 5.7039 5.7109 5.7109 8.8560 8.8560 9.7028 9.7028 9.7827 9.7827 10.2394 10.2394 10.4582 10.4582 10.7114 10.7114 10.7973 10.7973 10.8147 10.8147 k = 0.0526 0.0526 0.0526 ( 4172 PWs) bands (ev): -31.6146 -31.6146 -31.5357 -31.5357 -31.5357 -31.5357 -12.9784 -12.9784 -12.9719 -12.9719 -12.7836 -12.7836 -12.6288 -12.6288 -12.5515 -12.5515 -12.5508 -12.5508 -12.4647 -12.4647 -12.3458 -12.3458 -12.3338 -12.3338 -8.9325 -8.9325 -7.6142 -7.6142 -7.6138 -7.6138 -5.0683 -5.0683 -5.0654 -5.0654 -5.0649 -5.0649 1.2100 1.2100 5.6677 5.6677 5.6934 5.6934 5.7037 5.7037 8.7882 8.7882 9.6407 9.6407 9.6932 9.6932 10.2732 10.2732 10.4781 10.4781 10.7397 10.7397 10.8253 10.8253 10.8807 10.8807 k = 0.0614 0.0614 0.0614 ( 4166 PWs) bands (ev): -31.6141 -31.6141 -31.5359 -31.5359 -31.5359 -31.5359 -12.9791 -12.9791 -12.9702 -12.9702 -12.7835 -12.7835 -12.6307 -12.6307 -12.5516 -12.5516 -12.5506 -12.5506 -12.4650 -12.4650 -12.3503 -12.3503 -12.3342 -12.3342 -8.9227 -8.9227 -7.6141 -7.6141 -7.6135 -7.6135 -5.0682 -5.0682 -5.0651 -5.0651 -5.0646 -5.0646 1.2210 1.2210 5.6562 5.6562 5.6811 5.6811 5.6952 5.6952 8.7158 8.7158 9.5771 9.5771 9.5957 9.5957 10.3172 10.3172 10.4983 10.4983 10.7738 10.7738 10.8550 10.8550 10.9521 10.9521 k = 0.0702 0.0702 0.0702 ( 4166 PWs) bands (ev): -31.6134 -31.6134 -31.5362 -31.5362 -31.5362 -31.5362 -12.9801 -12.9801 -12.9683 -12.9683 -12.7834 -12.7834 -12.6328 -12.6328 -12.5518 -12.5518 -12.5503 -12.5503 -12.4653 -12.4653 -12.3552 -12.3552 -12.3346 -12.3346 -8.9114 -8.9114 -7.6140 -7.6140 -7.6132 -7.6132 -5.0681 -5.0681 -5.0648 -5.0648 -5.0641 -5.0641 1.2337 1.2337 5.6429 5.6429 5.6671 5.6671 5.6855 5.6855 8.6403 8.6403 9.4961 9.4961 9.5130 9.5130 10.3648 10.3648 10.5192 10.5192 10.8129 10.8129 10.8886 10.8886 11.0271 11.0271 k = 0.0789 0.0789 0.0789 ( 4160 PWs) bands (ev): -31.6128 -31.6128 -31.5365 -31.5365 -31.5365 -31.5365 -12.9812 -12.9812 -12.9661 -12.9661 -12.7834 -12.7834 -12.6351 -12.6351 -12.5519 -12.5519 -12.5500 -12.5500 -12.4656 -12.4656 -12.3606 -12.3606 -12.3351 -12.3351 -8.8988 -8.8988 -7.6138 -7.6138 -7.6129 -7.6129 -5.0679 -5.0679 -5.0645 -5.0645 -5.0636 -5.0636 1.2478 1.2478 5.6277 5.6277 5.6513 5.6513 5.6744 5.6744 8.5627 8.5627 9.3973 9.3973 9.4492 9.4492 10.4128 10.4128 10.5411 10.5411 10.8553 10.8553 10.9281 10.9281 11.1045 11.1045 k = 0.0877 0.0877 0.0877 ( 4163 PWs) bands (ev): -31.6120 -31.6120 -31.5369 -31.5369 -31.5369 -31.5369 -12.9827 -12.9827 -12.9639 -12.9639 -12.7835 -12.7835 -12.6377 -12.6377 -12.5521 -12.5521 -12.5497 -12.5497 -12.4659 -12.4659 -12.3663 -12.3663 -12.3356 -12.3356 -8.8849 -8.8849 -7.6136 -7.6136 -7.6126 -7.6126 -5.0677 -5.0677 -5.0641 -5.0641 -5.0631 -5.0631 1.2634 1.2634 5.6109 5.6109 5.6340 5.6340 5.6620 5.6620 8.4840 8.4840 9.3011 9.3011 9.3861 9.3861 10.4594 10.4594 10.5643 10.5643 10.8985 10.8985 10.9763 10.9763 11.1832 11.1832 k = 0.0965 0.0965 0.0965 ( 4163 PWs) bands (ev): -31.6112 -31.6112 -31.5373 -31.5373 -31.5373 -31.5373 -12.9844 -12.9844 -12.9614 -12.9614 -12.7838 -12.7838 -12.6405 -12.6405 -12.5522 -12.5522 -12.5492 -12.5492 -12.4661 -12.4661 -12.3722 -12.3722 -12.3362 -12.3362 -8.8698 -8.8698 -7.6134 -7.6134 -7.6122 -7.6122 -5.0676 -5.0676 -5.0637 -5.0637 -5.0625 -5.0625 1.2804 1.2804 5.5924 5.5924 5.6151 5.6151 5.6482 5.6482 8.4048 8.4048 9.2084 9.2084 9.3241 9.3241 10.5041 10.5041 10.5890 10.5890 10.9409 10.9409 11.0339 11.0339 11.2625 11.2625 k = 0.1053 0.1053 0.1053 ( 4163 PWs) bands (ev): -31.6103 -31.6103 -31.5377 -31.5377 -31.5377 -31.5377 -12.9865 -12.9865 -12.9588 -12.9588 -12.7844 -12.7844 -12.6434 -12.6434 -12.5524 -12.5524 -12.5487 -12.5487 -12.4663 -12.4663 -12.3782 -12.3782 -12.3368 -12.3368 -8.8536 -8.8536 -7.6133 -7.6133 -7.6118 -7.6118 -5.0674 -5.0674 -5.0633 -5.0633 -5.0619 -5.0619 1.2987 1.2987 5.5724 5.5724 5.5947 5.5947 5.6328 5.6328 8.3259 8.3259 9.1197 9.1197 9.2636 9.2636 10.5470 10.5470 10.6153 10.6153 10.9830 10.9830 11.0997 11.0997 11.3418 11.3418 k = 0.1140 0.1140 0.1140 ( 4163 PWs) bands (ev): -31.6093 -31.6093 -31.5382 -31.5382 -31.5382 -31.5382 -12.9890 -12.9890 -12.9561 -12.9561 -12.7852 -12.7852 -12.6463 -12.6463 -12.5527 -12.5527 -12.5481 -12.5481 -12.4663 -12.4663 -12.3843 -12.3843 -12.3374 -12.3374 -8.8363 -8.8363 -7.6131 -7.6131 -7.6114 -7.6114 -5.0673 -5.0673 -5.0628 -5.0628 -5.0612 -5.0612 1.3182 1.3182 5.5510 5.5510 5.5730 5.5730 5.6158 5.6158 8.2478 8.2478 9.0353 9.0353 9.2048 9.2048 10.5885 10.5885 10.6432 10.6432 11.0257 11.0257 11.1713 11.1713 11.4205 11.4205 k = 0.1228 0.1228 0.1228 ( 4166 PWs) bands (ev): -31.6083 -31.6083 -31.5386 -31.5386 -31.5386 -31.5386 -12.9919 -12.9919 -12.9533 -12.9533 -12.7864 -12.7864 -12.6491 -12.6491 -12.5531 -12.5531 -12.5474 -12.5474 -12.4662 -12.4662 -12.3904 -12.3904 -12.3381 -12.3381 -8.8181 -8.8181 -7.6128 -7.6128 -7.6109 -7.6109 -5.0671 -5.0671 -5.0623 -5.0623 -5.0606 -5.0606 1.3388 1.3388 5.5282 5.5282 5.5499 5.5499 5.5970 5.5970 8.1712 8.1712 8.9554 8.9554 9.1477 9.1477 10.6291 10.6291 10.6727 10.6727 11.0700 11.0700 11.2469 11.2469 11.4981 11.4981 k = 0.1316 0.1316 0.1316 ( 4172 PWs) bands (ev): -31.6072 -31.6072 -31.5392 -31.5392 -31.5392 -31.5392 -12.9953 -12.9953 -12.9504 -12.9504 -12.7881 -12.7881 -12.6518 -12.6518 -12.5535 -12.5535 -12.5465 -12.5465 -12.4660 -12.4660 -12.3964 -12.3964 -12.3387 -12.3387 -8.7989 -8.7989 -7.6126 -7.6126 -7.6105 -7.6105 -5.0670 -5.0670 -5.0618 -5.0618 -5.0599 -5.0599 1.3605 1.3605 5.5042 5.5042 5.5256 5.5256 5.5766 5.5766 8.0967 8.0967 8.8799 8.8799 9.0926 9.0926 10.6691 10.6691 10.7038 10.7038 11.1162 11.1162 11.3249 11.3249 11.5741 11.5741 k = 0.1404 0.1404 0.1404 ( 4169 PWs) bands (ev): -31.6060 -31.6060 -31.5397 -31.5397 -31.5397 -31.5397 -12.9993 -12.9993 -12.9475 -12.9475 -12.7903 -12.7903 -12.6541 -12.6541 -12.5541 -12.5541 -12.5455 -12.5455 -12.4655 -12.4655 -12.4021 -12.4021 -12.3393 -12.3393 -8.7788 -8.7788 -7.6124 -7.6124 -7.6101 -7.6101 -5.0668 -5.0668 -5.0613 -5.0613 -5.0592 -5.0592 1.3830 1.3830 5.4790 5.4790 5.5002 5.5002 5.5542 5.5542 8.0247 8.0247 8.8090 8.8090 9.0395 9.0395 10.7090 10.7090 10.7364 10.7364 11.1644 11.1644 11.4041 11.4041 11.6481 11.6481 k = 0.1491 0.1491 0.1491 ( 4169 PWs) bands (ev): -31.6049 -31.6049 -31.5403 -31.5403 -31.5403 -31.5403 -13.0038 -13.0038 -12.9446 -12.9446 -12.7930 -12.7930 -12.6560 -12.6560 -12.5549 -12.5549 -12.5444 -12.5444 -12.4649 -12.4649 -12.4076 -12.4076 -12.3400 -12.3400 -8.7580 -8.7580 -7.6122 -7.6122 -7.6097 -7.6097 -5.0667 -5.0667 -5.0608 -5.0608 -5.0585 -5.0585 1.4064 1.4064 5.4528 5.4528 5.4738 5.4738 5.5301 5.5301 7.9558 7.9558 8.7424 8.7424 8.9886 8.9886 10.7489 10.7489 10.7704 10.7704 11.2148 11.2148 11.4834 11.4834 11.7196 11.7196 k = 0.1579 0.1579 0.1579 ( 4163 PWs) bands (ev): -31.6036 -31.6036 -31.5408 -31.5408 -31.5408 -31.5408 -13.0089 -13.0089 -12.9416 -12.9416 -12.7964 -12.7964 -12.6573 -12.6573 -12.5559 -12.5559 -12.5430 -12.5430 -12.4640 -12.4640 -12.4127 -12.4127 -12.3406 -12.3406 -8.7365 -8.7365 -7.6120 -7.6120 -7.6092 -7.6092 -5.0666 -5.0666 -5.0602 -5.0602 -5.0578 -5.0578 1.4304 1.4304 5.4256 5.4256 5.4465 5.4465 5.5040 5.5040 7.8903 7.8903 8.6801 8.6801 8.9399 8.9399 10.7892 10.7892 10.8058 10.8058 11.2674 11.2674 11.5619 11.5619 11.7881 11.7881 k = 0.1667 0.1667 0.1667 ( 4163 PWs) bands (ev): -31.6023 -31.6023 -31.5415 -31.5415 -31.5415 -31.5415 -13.0148 -13.0148 -12.9388 -12.9388 -12.8004 -12.8004 -12.6581 -12.6581 -12.5572 -12.5572 -12.5415 -12.5415 -12.4629 -12.4629 -12.4175 -12.4175 -12.3412 -12.3412 -8.7144 -8.7144 -7.6118 -7.6118 -7.6088 -7.6088 -5.0665 -5.0665 -5.0597 -5.0597 -5.0571 -5.0571 1.4550 1.4550 5.3976 5.3976 5.4183 5.4183 5.4762 5.4762 7.8287 7.8287 8.6220 8.6220 8.8935 8.8935 10.8299 10.8299 10.8425 10.8425 11.3220 11.3220 11.6387 11.6387 11.8530 11.8530 k = 0.1754 0.1754 0.1754 ( 4163 PWs) bands (ev): -31.6010 -31.6010 -31.5421 -31.5421 -31.5421 -31.5421 -13.0213 -13.0213 -12.9360 -12.9360 -12.8049 -12.8049 -12.6582 -12.6582 -12.5587 -12.5587 -12.5398 -12.5398 -12.4614 -12.4614 -12.4219 -12.4219 -12.3418 -12.3418 -8.6918 -8.6918 -7.6115 -7.6115 -7.6084 -7.6084 -5.0664 -5.0664 -5.0592 -5.0592 -5.0564 -5.0564 1.4800 1.4800 5.3689 5.3689 5.3894 5.3894 5.4465 5.4465 7.7712 7.7712 8.5679 8.5679 8.8494 8.8494 10.8710 10.8710 10.8802 10.8802 11.3785 11.3785 11.7129 11.7129 11.9138 11.9138 k = 0.1842 0.1842 0.1842 ( 4169 PWs) bands (ev): -31.5996 -31.5996 -31.5427 -31.5427 -31.5427 -31.5427 -13.0286 -13.0286 -12.9332 -12.9332 -12.8100 -12.8100 -12.6577 -12.6577 -12.5605 -12.5605 -12.5379 -12.5379 -12.4597 -12.4597 -12.4259 -12.4259 -12.3424 -12.3424 -8.6688 -8.6688 -7.6113 -7.6113 -7.6081 -7.6081 -5.0664 -5.0664 -5.0587 -5.0587 -5.0557 -5.0557 1.5053 1.5053 5.3395 5.3395 5.3599 5.3599 5.4151 5.4151 7.7181 7.7181 8.5178 8.5178 8.8076 8.8076 10.9126 10.9126 10.9190 10.9190 11.4367 11.4367 11.7837 11.7837 11.9698 11.9698 k = 0.1930 0.1930 0.1930 ( 4169 PWs) bands (ev): -31.5982 -31.5982 -31.5434 -31.5434 -31.5434 -31.5434 -13.0367 -13.0367 -12.9307 -12.9307 -12.8154 -12.8154 -12.6566 -12.6566 -12.5627 -12.5627 -12.5358 -12.5358 -12.4577 -12.4577 -12.4294 -12.4294 -12.3430 -12.3430 -8.6453 -8.6453 -7.6111 -7.6111 -7.6077 -7.6077 -5.0663 -5.0663 -5.0581 -5.0581 -5.0551 -5.0551 1.5308 1.5308 5.3096 5.3096 5.3298 5.3298 5.3821 5.3821 7.6695 7.6695 8.4714 8.4714 8.7682 8.7682 10.9545 10.9545 10.9585 10.9585 11.4963 11.4963 11.8503 11.8503 12.0206 12.0206 k = 0.2018 0.2018 0.2018 ( 4178 PWs) bands (ev): -31.5968 -31.5968 -31.5441 -31.5441 -31.5441 -31.5441 -13.0456 -13.0456 -12.9282 -12.9282 -12.8212 -12.8212 -12.6550 -12.6550 -12.5651 -12.5651 -12.5335 -12.5335 -12.4554 -12.4554 -12.4324 -12.4324 -12.3434 -12.3434 -8.6216 -8.6216 -7.6109 -7.6109 -7.6074 -7.6074 -5.0663 -5.0663 -5.0576 -5.0576 -5.0544 -5.0544 1.5564 1.5564 5.2793 5.2793 5.2993 5.2993 5.3477 5.3477 7.6256 7.6256 8.4288 8.4288 8.7312 8.7312 10.9966 10.9966 10.9987 10.9987 11.5568 11.5568 11.9117 11.9117 12.0654 12.0654 k = 0.2105 0.2105 0.2105 ( 4190 PWs) bands (ev): -31.5953 -31.5953 -31.5448 -31.5448 -31.5448 -31.5448 -13.0553 -13.0553 -12.9260 -12.9260 -12.8270 -12.8270 -12.6528 -12.6528 -12.5679 -12.5679 -12.5310 -12.5310 -12.4528 -12.4528 -12.4351 -12.4351 -12.3439 -12.3439 -8.5977 -8.5977 -7.6107 -7.6107 -7.6071 -7.6071 -5.0663 -5.0663 -5.0572 -5.0572 -5.0538 -5.0538 1.5818 1.5818 5.2487 5.2487 5.2685 5.2685 5.3120 5.3120 7.5863 7.5863 8.3899 8.3899 8.6965 8.6965 11.0387 11.0387 11.0391 11.0391 11.6174 11.6174 11.9672 11.9672 12.1038 12.1038 k = 0.2193 0.2193 0.2193 ( 4187 PWs) bands (ev): -31.5938 -31.5938 -31.5454 -31.5454 -31.5454 -31.5454 -13.0657 -13.0657 -12.9239 -12.9239 -12.8330 -12.8330 -12.6502 -12.6502 -12.5709 -12.5709 -12.5282 -12.5282 -12.4499 -12.4499 -12.4373 -12.4373 -12.3443 -12.3443 -8.5736 -8.5736 -7.6106 -7.6106 -7.6068 -7.6068 -5.0663 -5.0663 -5.0567 -5.0567 -5.0533 -5.0533 1.6070 1.6070 5.2179 5.2179 5.2374 5.2374 5.2754 5.2754 7.5517 7.5517 8.3545 8.3545 8.6643 8.6643 11.0798 11.0798 11.0808 11.0808 11.6772 11.6772 12.0158 12.0158 12.1353 12.1353 k = 0.2281 0.2281 0.2281 ( 4187 PWs) bands (ev): -31.5923 -31.5923 -31.5462 -31.5462 -31.5461 -31.5461 -13.0768 -13.0768 -12.9220 -12.9220 -12.8389 -12.8389 -12.6473 -12.6473 -12.5741 -12.5741 -12.5252 -12.5252 -12.4466 -12.4466 -12.4391 -12.4391 -12.3446 -12.3446 -8.5495 -8.5495 -7.6104 -7.6104 -7.6066 -7.6066 -5.0664 -5.0664 -5.0563 -5.0563 -5.0527 -5.0527 1.6318 1.6318 5.1869 5.1869 5.2062 5.2062 5.2379 5.2379 7.5217 7.5217 8.3227 8.3227 8.6344 8.6344 11.1201 11.1201 11.1224 11.1224 11.7345 11.7345 12.0570 12.0570 12.1595 12.1595 k = 0.2368 0.2368 0.2368 ( 4182 PWs) bands (ev): -31.5908 -31.5908 -31.5469 -31.5469 -31.5469 -31.5469 -13.0886 -13.0886 -12.9203 -12.9203 -12.8447 -12.8447 -12.6440 -12.6440 -12.5776 -12.5776 -12.5220 -12.5220 -12.4432 -12.4432 -12.4405 -12.4405 -12.3448 -12.3448 -8.5254 -8.5254 -7.6102 -7.6102 -7.6064 -7.6064 -5.0665 -5.0665 -5.0558 -5.0558 -5.0522 -5.0522 1.6560 1.6560 5.1559 5.1559 5.1750 5.1750 5.2000 5.2000 7.4960 7.4960 8.2943 8.2943 8.6069 8.6069 11.1599 11.1599 11.1632 11.1632 11.7867 11.7867 12.0905 12.0905 12.1765 12.1765 k = 0.2456 0.2456 0.2456 ( 4194 PWs) bands (ev): -31.5893 -31.5893 -31.5476 -31.5476 -31.5476 -31.5476 -13.1010 -13.1010 -12.9188 -12.9188 -12.8504 -12.8504 -12.6406 -12.6406 -12.5813 -12.5813 -12.5186 -12.5186 -12.4419 -12.4419 -12.4392 -12.4392 -12.3451 -12.3451 -8.5014 -8.5014 -7.6101 -7.6101 -7.6062 -7.6062 -5.0666 -5.0666 -5.0554 -5.0554 -5.0518 -5.0518 1.6797 1.6797 5.1249 5.1249 5.1438 5.1438 5.1617 5.1617 7.4746 7.4746 8.2693 8.2693 8.5818 8.5818 11.1986 11.1986 11.2028 11.2028 11.8298 11.8298 12.1162 12.1162 12.1866 12.1866 k = 0.2544 0.2544 0.2544 ( 4194 PWs) bands (ev): -31.5878 -31.5878 -31.5483 -31.5483 -31.5483 -31.5483 -13.1139 -13.1139 -12.9175 -12.9175 -12.8559 -12.8559 -12.6369 -12.6369 -12.5851 -12.5851 -12.5150 -12.5150 -12.4427 -12.4427 -12.4352 -12.4352 -12.3452 -12.3452 -8.4775 -8.4775 -7.6100 -7.6100 -7.6061 -7.6061 -5.0668 -5.0668 -5.0551 -5.0551 -5.0513 -5.0513 1.7026 1.7026 5.0941 5.0941 5.1128 5.1128 5.1236 5.1236 7.4573 7.4573 8.2477 8.2477 8.5590 8.5590 11.2356 11.2356 11.2407 11.2407 11.8590 11.8590 12.1342 12.1342 12.1904 12.1904 k = 0.2632 0.2632 0.2632 ( 4194 PWs) bands (ev): -31.5862 -31.5862 -31.5490 -31.5490 -31.5490 -31.5490 -13.1272 -13.1272 -12.9165 -12.9165 -12.8612 -12.8612 -12.6332 -12.6332 -12.5890 -12.5890 -12.5112 -12.5112 -12.4433 -12.4433 -12.4309 -12.4309 -12.3453 -12.3453 -8.4538 -8.4538 -7.6099 -7.6099 -7.6060 -7.6060 -5.0669 -5.0669 -5.0547 -5.0547 -5.0509 -5.0509 1.7246 1.7246 5.0635 5.0635 5.0820 5.0820 5.0857 5.0857 7.4438 7.4438 8.2294 8.2294 8.5384 8.5384 11.2704 11.2704 11.2762 11.2762 11.8705 11.8705 12.1446 12.1446 12.1888 12.1888 k = 0.2719 0.2719 0.2719 ( 4188 PWs) bands (ev): -31.5847 -31.5847 -31.5497 -31.5497 -31.5497 -31.5497 -13.1408 -13.1408 -12.9156 -12.9156 -12.8662 -12.8662 -12.6293 -12.6293 -12.5929 -12.5929 -12.5072 -12.5072 -12.4436 -12.4436 -12.4264 -12.4264 -12.3454 -12.3454 -8.4304 -8.4304 -7.6098 -7.6098 -7.6059 -7.6059 -5.0672 -5.0672 -5.0544 -5.0544 -5.0506 -5.0506 1.7456 1.7456 5.0331 5.0331 5.0485 5.0485 5.0516 5.0516 7.4339 7.4339 8.2144 8.2144 8.5202 8.5202 11.3023 11.3023 11.3086 11.3086 11.8643 11.8643 12.1482 12.1482 12.1832 12.1832 k = 0.2807 0.2807 0.2807 ( 4194 PWs) bands (ev): -31.5832 -31.5832 -31.5504 -31.5504 -31.5504 -31.5504 -13.1547 -13.1547 -12.9150 -12.9150 -12.8710 -12.8710 -12.6255 -12.6255 -12.5969 -12.5969 -12.5031 -12.5031 -12.4437 -12.4437 -12.4218 -12.4218 -12.3453 -12.3453 -8.4073 -8.4073 -7.6097 -7.6097 -7.6059 -7.6059 -5.0674 -5.0674 -5.0540 -5.0540 -5.0503 -5.0503 1.7655 1.7655 5.0029 5.0029 5.0123 5.0123 5.0215 5.0215 7.4272 7.4272 8.2027 8.2027 8.5040 8.5040 11.3302 11.3302 11.3370 11.3370 11.8439 11.8439 12.1471 12.1471 12.1751 12.1751 k = 0.2895 0.2895 0.2895 ( 4194 PWs) bands (ev): -31.5818 -31.5818 -31.5511 -31.5511 -31.5511 -31.5511 -13.1687 -13.1687 -12.9145 -12.9145 -12.8756 -12.8756 -12.6217 -12.6217 -12.6009 -12.6009 -12.4990 -12.4990 -12.4437 -12.4437 -12.4169 -12.4169 -12.3452 -12.3452 -8.3847 -8.3847 -7.6096 -7.6096 -7.6060 -7.6060 -5.0677 -5.0677 -5.0537 -5.0537 -5.0501 -5.0501 1.7843 1.7843 4.9722 4.9722 4.9780 4.9780 4.9919 4.9919 7.4236 7.4236 8.1941 8.1941 8.4901 8.4901 11.3533 11.3533 11.3604 11.3604 11.8136 11.8136 12.1434 12.1434 12.1661 12.1661 k = 0.2982 0.2982 0.2982 ( 4194 PWs) bands (ev): -31.5803 -31.5803 -31.5518 -31.5518 -31.5518 -31.5518 -13.1828 -13.1828 -12.9143 -12.9143 -12.8799 -12.8799 -12.6179 -12.6179 -12.6049 -12.6049 -12.4947 -12.4947 -12.4435 -12.4435 -12.4120 -12.4120 -12.3450 -12.3450 -8.3625 -8.3625 -7.6096 -7.6096 -7.6060 -7.6060 -5.0680 -5.0680 -5.0535 -5.0535 -5.0499 -5.0499 1.8019 1.8019 4.9398 4.9398 4.9473 4.9473 4.9629 4.9629 7.4227 7.4227 8.1888 8.1888 8.4782 8.4782 11.3706 11.3706 11.3778 11.3778 11.7768 11.7768 12.1394 12.1394 12.1578 12.1578 k = 0.3070 0.3070 0.3070 ( 4191 PWs) bands (ev): -31.5788 -31.5788 -31.5524 -31.5524 -31.5524 -31.5524 -13.1969 -13.1969 -12.9143 -12.9143 -12.8840 -12.8840 -12.6144 -12.6144 -12.6087 -12.6087 -12.4903 -12.4903 -12.4432 -12.4432 -12.4070 -12.4070 -12.3447 -12.3447 -8.3408 -8.3408 -7.6095 -7.6095 -7.6061 -7.6061 -5.0684 -5.0684 -5.0532 -5.0532 -5.0497 -5.0497 1.8182 1.8182 4.9072 4.9072 4.9187 4.9187 4.9346 4.9346 7.4242 7.4242 8.1866 8.1866 8.4683 8.4683 11.3813 11.3813 11.3884 11.3884 11.7356 11.7356 12.1368 12.1368 12.1520 12.1520 k = 0.3158 0.3158 0.3158 ( 4191 PWs) bands (ev): -31.5774 -31.5774 -31.5531 -31.5531 -31.5531 -31.5531 -13.2109 -13.2109 -12.9144 -12.9144 -12.8879 -12.8879 -12.6136 -12.6136 -12.6097 -12.6097 -12.4859 -12.4859 -12.4427 -12.4427 -12.4019 -12.4019 -12.3443 -12.3443 -8.3197 -8.3197 -7.6095 -7.6095 -7.6062 -7.6062 -5.0687 -5.0687 -5.0530 -5.0530 -5.0496 -5.0496 1.8333 1.8333 4.8758 4.8758 4.8911 4.8911 4.9070 4.9070 7.4278 7.4278 8.1874 8.1874 8.4603 8.4603 11.3846 11.3846 11.3915 11.3915 11.6913 11.6913 12.1372 12.1372 12.1497 12.1497 k = 0.3246 0.3246 0.3246 ( 4197 PWs) bands (ev): -31.5760 -31.5760 -31.5538 -31.5538 -31.5538 -31.5538 -13.2247 -13.2247 -12.9147 -12.9147 -12.8915 -12.8915 -12.6170 -12.6170 -12.6067 -12.6067 -12.4815 -12.4815 -12.4422 -12.4422 -12.3968 -12.3968 -12.3439 -12.3439 -8.2992 -8.2992 -7.6095 -7.6095 -7.6064 -7.6064 -5.0692 -5.0692 -5.0527 -5.0527 -5.0495 -5.0495 1.8470 1.8470 4.8458 4.8458 4.8645 4.8645 4.8801 4.8801 7.4333 7.4333 8.1912 8.1912 8.4541 8.4541 11.3804 11.3804 11.3868 11.3868 11.6451 11.6451 12.1415 12.1415 12.1517 12.1517 k = 0.3333 0.3333 0.3333 ( 4197 PWs) bands (ev): -31.5747 -31.5747 -31.5544 -31.5544 -31.5544 -31.5544 -13.2382 -13.2382 -12.9151 -12.9151 -12.8949 -12.8949 -12.6207 -12.6207 -12.6034 -12.6034 -12.4772 -12.4772 -12.4416 -12.4416 -12.3917 -12.3917 -12.3434 -12.3434 -8.2793 -8.2793 -7.6095 -7.6095 -7.6065 -7.6065 -5.0696 -5.0696 -5.0525 -5.0525 -5.0495 -5.0495 1.8594 1.8594 4.8175 4.8175 4.8388 4.8388 4.8541 4.8541 7.4404 7.4404 8.1979 8.1979 8.4496 8.4496 11.3689 11.3689 11.3747 11.3747 11.5975 11.5975 12.1501 12.1501 12.1584 12.1584 k = 0.3421 0.3421 0.3421 ( 4194 PWs) bands (ev): -31.5734 -31.5734 -31.5550 -31.5550 -31.5550 -31.5550 -13.2514 -13.2514 -12.9156 -12.9156 -12.8982 -12.8982 -12.6243 -12.6243 -12.6001 -12.6001 -12.4729 -12.4729 -12.4409 -12.4409 -12.3866 -12.3866 -12.3428 -12.3428 -8.2602 -8.2602 -7.6095 -7.6095 -7.6067 -7.6067 -5.0700 -5.0700 -5.0523 -5.0523 -5.0494 -5.0494 1.8705 1.8705 4.7909 4.7909 4.8141 4.8141 4.8291 4.8291 7.4488 7.4488 8.2074 8.2074 8.4468 8.4468 11.3507 11.3507 11.3559 11.3559 11.5490 11.5490 12.1628 12.1628 12.1694 12.1694 k = 0.3509 0.3509 0.3509 ( 4176 PWs) bands (ev): -31.5721 -31.5721 -31.5556 -31.5556 -31.5556 -31.5556 -13.2642 -13.2642 -12.9162 -12.9162 -12.9012 -12.9012 -12.6278 -12.6278 -12.5970 -12.5970 -12.4687 -12.4687 -12.4401 -12.4401 -12.3814 -12.3814 -12.3422 -12.3422 -8.2419 -8.2419 -7.6095 -7.6095 -7.6070 -7.6070 -5.0705 -5.0705 -5.0522 -5.0522 -5.0495 -5.0495 1.8803 1.8803 4.7660 4.7660 4.7904 4.7904 4.8050 4.8050 7.4582 7.4582 8.2194 8.2194 8.4454 8.4454 11.3269 11.3269 11.3314 11.3314 11.5000 11.5000 12.1790 12.1790 12.1841 12.1841 k = 0.3596 0.3596 0.3596 ( 4173 PWs) bands (ev): -31.5709 -31.5709 -31.5561 -31.5561 -31.5561 -31.5561 -13.2766 -13.2766 -12.9169 -12.9169 -12.9041 -12.9041 -12.6311 -12.6311 -12.5941 -12.5941 -12.4646 -12.4646 -12.4393 -12.4393 -12.3765 -12.3765 -12.3415 -12.3415 -8.2244 -8.2244 -7.6095 -7.6095 -7.6072 -7.6072 -5.0709 -5.0709 -5.0520 -5.0520 -5.0495 -5.0495 1.8889 1.8889 4.7429 4.7429 4.7678 4.7678 4.7820 4.7820 7.4684 7.4684 8.2339 8.2339 8.4454 8.4454 11.2986 11.2986 11.3026 11.3026 11.4508 11.4508 12.1979 12.1979 12.2017 12.2017 k = 0.3684 0.3684 0.3684 ( 4179 PWs) bands (ev): -31.5698 -31.5698 -31.5567 -31.5567 -31.5567 -31.5567 -13.2885 -13.2885 -12.9177 -12.9177 -12.9068 -12.9068 -12.6343 -12.6343 -12.5914 -12.5914 -12.4607 -12.4607 -12.4385 -12.4385 -12.3717 -12.3717 -12.3408 -12.3408 -8.2077 -8.2077 -7.6095 -7.6095 -7.6074 -7.6074 -5.0714 -5.0714 -5.0519 -5.0519 -5.0496 -5.0496 1.8964 1.8964 4.7215 4.7215 4.7463 4.7463 4.7601 4.7601 7.4791 7.4791 8.2505 8.2505 8.4466 8.4466 11.2670 11.2670 11.2706 11.2706 11.4016 11.4016 12.2186 12.2186 12.2212 12.2212 k = 0.3772 0.3772 0.3772 ( 4185 PWs) bands (ev): -31.5687 -31.5687 -31.5572 -31.5572 -31.5572 -31.5572 -13.2998 -13.2998 -12.9185 -12.9185 -12.9093 -12.9093 -12.6374 -12.6374 -12.5888 -12.5888 -12.4570 -12.4570 -12.4377 -12.4377 -12.3671 -12.3671 -12.3400 -12.3400 -8.1919 -8.1919 -7.6096 -7.6096 -7.6077 -7.6077 -5.0719 -5.0719 -5.0517 -5.0517 -5.0497 -5.0497 1.9027 1.9027 4.7019 4.7019 4.7260 4.7260 4.7393 4.7393 7.4902 7.4902 8.2690 8.2690 8.4489 8.4489 11.2331 11.2331 11.2365 11.2365 11.3529 11.3529 12.2403 12.2403 12.2417 12.2417 k = 0.3860 0.3860 0.3860 ( 4179 PWs) bands (ev): -31.5676 -31.5676 -31.5576 -31.5576 -31.5576 -31.5576 -13.3105 -13.3105 -12.9193 -12.9193 -12.9116 -12.9116 -12.6402 -12.6402 -12.5864 -12.5864 -12.4535 -12.4535 -12.4369 -12.4369 -12.3626 -12.3626 -12.3391 -12.3391 -8.1771 -8.1771 -7.6096 -7.6096 -7.6079 -7.6079 -5.0724 -5.0724 -5.0516 -5.0516 -5.0498 -5.0498 1.9081 1.9081 4.6839 4.6839 4.7070 4.7070 4.7198 4.7198 7.5014 7.5014 8.2891 8.2891 8.4522 8.4522 11.1980 11.1980 11.2014 11.2014 11.3049 11.3049 12.2623 12.2623 12.2628 12.2628 k = 0.3947 0.3947 0.3947 ( 4167 PWs) bands (ev): -31.5667 -31.5667 -31.5581 -31.5581 -31.5581 -31.5581 -13.3205 -13.3205 -12.9202 -12.9202 -12.9138 -12.9138 -12.6429 -12.6429 -12.5841 -12.5841 -12.4501 -12.4501 -12.4361 -12.4361 -12.3583 -12.3583 -12.3383 -12.3383 -8.1632 -8.1632 -7.6097 -7.6097 -7.6082 -7.6082 -5.0728 -5.0728 -5.0515 -5.0515 -5.0499 -5.0499 1.9126 1.9126 4.6675 4.6675 4.6893 4.6893 4.7015 4.7015 7.5125 7.5125 8.3105 8.3105 8.4562 8.4562 11.1625 11.1625 11.1660 11.1660 11.2580 11.2580 12.2837 12.2837 12.2841 12.2841 k = 0.4035 0.4035 0.4035 ( 4173 PWs) bands (ev): -31.5658 -31.5658 -31.5585 -31.5585 -31.5585 -31.5585 -13.3300 -13.3300 -12.9210 -12.9210 -12.9158 -12.9158 -12.6454 -12.6454 -12.5821 -12.5821 -12.4470 -12.4470 -12.4353 -12.4353 -12.3542 -12.3542 -12.3374 -12.3374 -8.1503 -8.1503 -7.6097 -7.6097 -7.6084 -7.6084 -5.0733 -5.0733 -5.0514 -5.0514 -5.0500 -5.0500 1.9162 1.9162 4.6527 4.6527 4.6730 4.6730 4.6845 4.6845 7.5233 7.5233 8.3327 8.3327 8.4607 8.4607 11.1273 11.1273 11.1312 11.1312 11.2126 11.2126 12.3038 12.3038 12.3050 12.3050 k = 0.4123 0.4123 0.4123 ( 4179 PWs) bands (ev): -31.5649 -31.5649 -31.5589 -31.5589 -31.5589 -31.5589 -13.3387 -13.3387 -12.9219 -12.9219 -12.9176 -12.9176 -12.6477 -12.6477 -12.5803 -12.5803 -12.4442 -12.4442 -12.4346 -12.4346 -12.3505 -12.3505 -12.3365 -12.3365 -8.1384 -8.1384 -7.6098 -7.6098 -7.6087 -7.6087 -5.0737 -5.0737 -5.0513 -5.0513 -5.0501 -5.0501 1.9191 1.9191 4.6392 4.6392 4.6582 4.6582 4.6689 4.6689 7.5338 7.5338 8.3553 8.3553 8.4657 8.4657 11.0933 11.0933 11.0976 11.0976 11.1691 11.1691 12.3228 12.3228 12.3248 12.3248 k = 0.4211 0.4211 0.4211 ( 4182 PWs) bands (ev): -31.5642 -31.5642 -31.5593 -31.5593 -31.5593 -31.5593 -13.3467 -13.3467 -12.9227 -12.9227 -12.9193 -12.9193 -12.6498 -12.6498 -12.5786 -12.5786 -12.4417 -12.4417 -12.4339 -12.4339 -12.3470 -12.3470 -12.3357 -12.3357 -8.1275 -8.1275 -7.6098 -7.6098 -7.6089 -7.6089 -5.0741 -5.0741 -5.0512 -5.0512 -5.0502 -5.0502 1.9214 1.9214 4.6270 4.6270 4.6450 4.6450 4.6546 4.6546 7.5438 7.5438 8.3779 8.3779 8.4710 8.4710 11.0608 11.0608 11.0655 11.0655 11.1280 11.1280 12.3405 12.3405 12.3431 12.3431 k = 0.4298 0.4298 0.4298 ( 4182 PWs) bands (ev): -31.5635 -31.5635 -31.5596 -31.5596 -31.5596 -31.5596 -13.3538 -13.3538 -12.9234 -12.9234 -12.9208 -12.9208 -12.6517 -12.6517 -12.5771 -12.5771 -12.4393 -12.4393 -12.4333 -12.4333 -12.3438 -12.3438 -12.3349 -12.3349 -8.1178 -8.1178 -7.6099 -7.6099 -7.6091 -7.6091 -5.0745 -5.0745 -5.0512 -5.0512 -5.0504 -5.0504 1.9232 1.9232 4.6161 4.6161 4.6333 4.6333 4.6417 4.6417 7.5530 7.5530 8.4000 8.4000 8.4762 8.4762 11.0304 11.0304 11.0355 11.0355 11.0898 11.0898 12.3565 12.3565 12.3598 12.3598 k = 0.4386 0.4386 0.4386 ( 4188 PWs) bands (ev): -31.5629 -31.5629 -31.5599 -31.5599 -31.5599 -31.5599 -13.3602 -13.3602 -12.9241 -12.9241 -12.9221 -12.9221 -12.6534 -12.6534 -12.5758 -12.5758 -12.4373 -12.4373 -12.4327 -12.4327 -12.3409 -12.3409 -12.3342 -12.3342 -8.1091 -8.1091 -7.6099 -7.6099 -7.6094 -7.6094 -5.0748 -5.0748 -5.0511 -5.0511 -5.0505 -5.0505 1.9245 1.9245 4.6063 4.6063 4.6232 4.6232 4.6303 4.6303 7.5615 7.5615 8.4211 8.4211 8.4814 8.4814 11.0026 11.0026 11.0078 11.0078 11.0549 11.0549 12.3708 12.3708 12.3746 12.3746 k = 0.4474 0.4474 0.4474 ( 4206 PWs) bands (ev): -31.5623 -31.5623 -31.5601 -31.5601 -31.5601 -31.5601 -13.3659 -13.3659 -12.9247 -12.9247 -12.9233 -12.9233 -12.6549 -12.6549 -12.5747 -12.5747 -12.4356 -12.4356 -12.4322 -12.4322 -12.3385 -12.3385 -12.3335 -12.3335 -8.1016 -8.1016 -7.6099 -7.6099 -7.6095 -7.6095 -5.0751 -5.0751 -5.0510 -5.0510 -5.0506 -5.0506 1.9254 1.9254 4.5977 4.5977 4.6147 4.6147 4.6203 4.6203 7.5690 7.5690 8.4406 8.4406 8.4863 8.4863 10.9777 10.9777 10.9827 10.9827 11.0239 11.0239 12.3832 12.3836 12.3874 12.3878 k = 0.4561 0.4561 0.4561 ( 4206 PWs) bands (ev): -31.5619 -31.5619 -31.5603 -31.5603 -31.5603 -31.5603 -13.3706 -13.3706 -12.9253 -12.9253 -12.9242 -12.9242 -12.6562 -12.6562 -12.5737 -12.5737 -12.4341 -12.4341 -12.4317 -12.4317 -12.3363 -12.3363 -12.3328 -12.3328 -8.0952 -8.0952 -7.6100 -7.6100 -7.6097 -7.6097 -5.0754 -5.0754 -5.0510 -5.0510 -5.0507 -5.0507 1.9261 1.9261 4.5903 4.5903 4.6077 4.6077 4.6119 4.6119 7.5756 7.5756 8.4582 8.4582 8.4907 8.4907 10.9561 10.9561 10.9606 10.9606 10.9972 10.9972 12.3938 12.3941 12.3983 12.3984 k = 0.4649 0.4649 0.4649 ( 4230 PWs) bands (ev): -31.5615 -31.5615 -31.5605 -31.5605 -31.5605 -31.5605 -13.3746 -13.3746 -12.9257 -12.9257 -12.9251 -12.9251 -12.6572 -12.6572 -12.5730 -12.5730 -12.4329 -12.4329 -12.4314 -12.4314 -12.3346 -12.3346 -12.3324 -12.3324 -8.0899 -8.0899 -7.6100 -7.6100 -7.6098 -7.6098 -5.0756 -5.0756 -5.0510 -5.0510 -5.0508 -5.0508 1.9265 1.9265 4.5841 4.5841 4.6021 4.6021 4.6049 4.6049 7.5811 7.5811 8.4733 8.4733 8.4946 8.4946 10.9381 10.9381 10.9415 10.9415 10.9753 10.9753 12.4024 12.4030 12.4075 12.4091 k = 0.4737 0.4737 0.4737 ( 4224 PWs) bands (ev): -31.5612 -31.5612 -31.5607 -31.5607 -31.5607 -31.5607 -13.3777 -13.3777 -12.9261 -12.9261 -12.9257 -12.9257 -12.6580 -12.6580 -12.5723 -12.5723 -12.4319 -12.4319 -12.4311 -12.4311 -12.3332 -12.3332 -12.3319 -12.3319 -8.0858 -8.0858 -7.6100 -7.6100 -7.6099 -7.6099 -5.0758 -5.0758 -5.0509 -5.0509 -5.0508 -5.0508 1.9268 1.9268 4.5793 4.5793 4.5978 4.5978 4.5995 4.5995 7.5854 7.5854 8.4855 8.4855 8.4977 8.4977 10.9238 10.9238 10.9261 10.9261 10.9584 10.9584 12.4093 12.4107 12.4141 12.4187 k = 0.4825 0.4825 0.4825 ( 4224 PWs) bands (ev): -31.5610 -31.5610 -31.5608 -31.5608 -31.5608 -31.5608 -13.3799 -13.3799 -12.9263 -12.9263 -12.9262 -12.9262 -12.6586 -12.6586 -12.5719 -12.5719 -12.4313 -12.4313 -12.4309 -12.4309 -12.3322 -12.3322 -12.3316 -12.3316 -8.0829 -8.0829 -7.6101 -7.6101 -7.6100 -7.6100 -5.0759 -5.0759 -5.0509 -5.0509 -5.0509 -5.0509 1.9270 1.9270 4.5758 4.5758 4.5949 4.5949 4.5956 4.5956 7.5886 7.5886 8.4945 8.4945 8.5000 8.5000 10.9134 10.9134 10.9146 10.9146 10.9463 10.9463 12.4139 12.4148 12.4176 12.4251 k = 0.4912 0.4912 0.4912 ( 4224 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3812 -13.3812 -12.9265 -12.9265 -12.9264 -12.9264 -12.6590 -12.6590 -12.5716 -12.5716 -12.4308 -12.4308 -12.4308 -12.4308 -12.3316 -12.3316 -12.3314 -12.3314 -8.0811 -8.0811 -7.6101 -7.6101 -7.6101 -7.6101 -5.0760 -5.0760 -5.0509 -5.0509 -5.0509 -5.0509 1.9271 1.9271 4.5737 4.5737 4.5931 4.5931 4.5933 4.5933 7.5905 7.5905 8.5001 8.5001 8.5014 8.5014 10.9072 10.9072 10.9075 10.9075 10.9392 10.9392 12.4169 12.4170 12.4182 12.4187 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -13.3816 -13.3816 -12.9265 -12.9265 -12.9265 -12.9265 -12.6591 -12.6591 -12.5715 -12.5715 -12.4307 -12.4307 -12.4307 -12.4307 -12.3314 -12.3314 -12.3314 -12.3314 -8.0805 -8.0805 -7.6101 -7.6101 -7.6101 -7.6101 -5.0760 -5.0760 -5.0509 -5.0509 -5.0509 -5.0509 1.9271 1.9271 4.5730 4.5730 4.5925 4.5925 4.5925 4.5925 7.5911 7.5911 8.5019 8.5019 8.5019 8.5019 10.9051 10.9051 10.9051 10.9051 10.9368 10.9368 12.4177 12.4177 12.4178 12.4250 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -13.3816 -13.3816 -12.9265 -12.9265 -12.9265 -12.9265 -12.6591 -12.6591 -12.5715 -12.5715 -12.4307 -12.4307 -12.4307 -12.4307 -12.3314 -12.3314 -12.3314 -12.3314 -8.0805 -8.0805 -7.6101 -7.6101 -7.6101 -7.6101 -5.0760 -5.0760 -5.0509 -5.0509 -5.0509 -5.0509 1.9271 1.9271 4.5730 4.5730 4.5925 4.5925 4.5925 4.5925 7.5911 7.5911 8.5019 8.5019 8.5019 8.5019 10.9051 10.9051 10.9051 10.9051 10.9368 10.9368 12.4177 12.4177 12.4252 12.4264 k = 0.4891 0.5000 0.4891 ( 4224 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3812 -13.3812 -12.9265 -12.9265 -12.9264 -12.9264 -12.6590 -12.6590 -12.5716 -12.5716 -12.4308 -12.4308 -12.4308 -12.4308 -12.3316 -12.3316 -12.3314 -12.3314 -8.0811 -8.0811 -7.6101 -7.6101 -7.6101 -7.6101 -5.0760 -5.0760 -5.0509 -5.0509 -5.0509 -5.0509 1.9271 1.9271 4.5737 4.5737 4.5929 4.5929 4.5935 4.5935 7.5905 7.5905 8.4998 8.4998 8.5016 8.5016 10.9071 10.9071 10.9077 10.9077 10.9392 10.9392 12.4168 12.4178 12.4189 12.4211 k = 0.4783 0.5000 0.4783 ( 4224 PWs) bands (ev): -31.5610 -31.5610 -31.5608 -31.5608 -31.5607 -31.5607 -13.3798 -13.3798 -12.9264 -12.9264 -12.9262 -12.9262 -12.6586 -12.6586 -12.5719 -12.5719 -12.4312 -12.4312 -12.4309 -12.4309 -12.3322 -12.3322 -12.3316 -12.3316 -8.0829 -8.0829 -7.6101 -7.6101 -7.6100 -7.6100 -5.0759 -5.0759 -5.0509 -5.0509 -5.0509 -5.0509 1.9270 1.9270 4.5757 4.5757 4.5942 4.5942 4.5966 4.5966 7.5885 7.5885 8.4936 8.4936 8.5007 8.5007 10.9129 10.9129 10.9154 10.9154 10.9467 10.9467 12.4139 12.4148 12.4177 12.4185 k = 0.4674 0.5000 0.4674 ( 4228 PWs) bands (ev): -31.5611 -31.5611 -31.5608 -31.5608 -31.5606 -31.5606 -13.3776 -13.3776 -12.9261 -12.9261 -12.9257 -12.9257 -12.6580 -12.6580 -12.5724 -12.5724 -12.4319 -12.4319 -12.4312 -12.4312 -12.3332 -12.3332 -12.3320 -12.3320 -8.0859 -8.0859 -7.6100 -7.6100 -7.6099 -7.6099 -5.0758 -5.0758 -5.0509 -5.0509 -5.0508 -5.0508 1.9268 1.9268 4.5786 4.5786 4.5967 4.5967 4.6017 4.6017 7.5853 7.5853 8.4835 8.4835 8.4994 8.4994 10.9223 10.9223 10.9280 10.9280 10.9593 10.9593 12.4092 12.4113 12.4142 12.4179 k = 0.4565 0.5000 0.4565 ( 4216 PWs) bands (ev): -31.5613 -31.5613 -31.5608 -31.5608 -31.5604 -31.5604 -13.3744 -13.3744 -12.9258 -12.9258 -12.9250 -12.9250 -12.6572 -12.6572 -12.5730 -12.5730 -12.4328 -12.4328 -12.4315 -12.4315 -12.3345 -12.3345 -12.3325 -12.3325 -8.0901 -8.0901 -7.6100 -7.6100 -7.6098 -7.6098 -5.0756 -5.0756 -5.0510 -5.0510 -5.0507 -5.0507 1.9266 1.9266 4.5818 4.5818 4.6010 4.6010 4.6090 4.6090 7.5808 7.5808 8.4696 8.4696 8.4977 8.4977 10.9349 10.9349 10.9450 10.9450 10.9775 10.9775 12.4023 12.4050 12.4078 12.4095 k = 0.4457 0.5000 0.4457 ( 4204 PWs) bands (ev): -31.5616 -31.5616 -31.5608 -31.5608 -31.5601 -31.5601 -13.3704 -13.3704 -12.9253 -12.9253 -12.9241 -12.9241 -12.6561 -12.6561 -12.5738 -12.5738 -12.4340 -12.4340 -12.4319 -12.4319 -12.3362 -12.3362 -12.3331 -12.3331 -8.0955 -8.0955 -7.6100 -7.6100 -7.6097 -7.6097 -5.0753 -5.0753 -5.0510 -5.0510 -5.0506 -5.0506 1.9262 1.9262 4.5848 4.5848 4.6077 4.6077 4.6184 4.6184 7.5750 7.5750 8.4523 8.4523 8.4958 8.4958 10.9505 10.9505 10.9659 10.9659 11.0010 11.0010 12.3934 12.3934 12.3994 12.3996 k = 0.4348 0.5000 0.4348 ( 4204 PWs) bands (ev): -31.5620 -31.5620 -31.5608 -31.5608 -31.5598 -31.5598 -13.3655 -13.3655 -12.9249 -12.9249 -12.9230 -12.9230 -12.6548 -12.6548 -12.5748 -12.5748 -12.4355 -12.4355 -12.4325 -12.4325 -12.3383 -12.3383 -12.3338 -12.3338 -8.1020 -8.1020 -7.6099 -7.6099 -7.6096 -7.6096 -5.0751 -5.0751 -5.0511 -5.0511 -5.0505 -5.0505 1.9256 1.9256 4.5874 4.5874 4.6166 4.6166 4.6300 4.6300 7.5680 7.5680 8.4321 8.4321 8.4940 8.4940 10.9690 10.9690 10.9904 10.9904 11.0296 11.0296 12.3826 12.3830 12.3890 12.3895 k = 0.4239 0.5000 0.4239 ( 4200 PWs) bands (ev): -31.5624 -31.5624 -31.5608 -31.5608 -31.5594 -31.5594 -13.3598 -13.3598 -12.9243 -12.9243 -12.9218 -12.9218 -12.6533 -12.6533 -12.5759 -12.5759 -12.4372 -12.4372 -12.4331 -12.4331 -12.3407 -12.3407 -12.3347 -12.3347 -8.1096 -8.1096 -7.6099 -7.6099 -7.6094 -7.6094 -5.0748 -5.0748 -5.0511 -5.0511 -5.0504 -5.0504 1.9248 1.9248 4.5899 4.5899 4.6276 4.6276 4.6438 4.6438 7.5598 7.5598 8.4093 8.4093 8.4926 8.4926 10.9904 10.9904 11.0182 11.0182 11.0627 11.0627 12.3701 12.3701 12.3765 12.3766 k = 0.4130 0.5000 0.4130 ( 4184 PWs) bands (ev): -31.5629 -31.5629 -31.5608 -31.5608 -31.5589 -31.5589 -13.3533 -13.3533 -12.9236 -12.9236 -12.9204 -12.9204 -12.6515 -12.6515 -12.5772 -12.5772 -12.4391 -12.4391 -12.4338 -12.4338 -12.3434 -12.3434 -12.3357 -12.3357 -8.1183 -8.1183 -7.6098 -7.6098 -7.6092 -7.6092 -5.0744 -5.0744 -5.0512 -5.0512 -5.0503 -5.0503 1.9237 1.9237 4.5925 4.5925 4.6405 4.6405 4.6597 4.6597 7.5504 7.5504 8.3843 8.3843 8.4917 8.4917 11.0145 11.0145 11.0488 11.0488 11.0996 11.0996 12.3561 12.3561 12.3618 12.3618 k = 0.4022 0.5000 0.4022 ( 4180 PWs) bands (ev): -31.5634 -31.5634 -31.5609 -31.5609 -31.5584 -31.5584 -13.3459 -13.3459 -12.9229 -12.9229 -12.9189 -12.9189 -12.6496 -12.6496 -12.5788 -12.5788 -12.4414 -12.4414 -12.4346 -12.4346 -12.3463 -12.3463 -12.3368 -12.3368 -8.1280 -8.1280 -7.6097 -7.6097 -7.6090 -7.6090 -5.0740 -5.0740 -5.0513 -5.0513 -5.0501 -5.0501 1.9222 1.9222 4.5954 4.5954 4.6551 4.6551 4.6778 4.6778 7.5399 7.5399 8.3579 8.3579 8.4917 8.4917 11.0415 11.0415 11.0818 11.0818 11.1396 11.1396 12.3405 12.3405 12.3446 12.3446 k = 0.3913 0.5000 0.3913 ( 4184 PWs) bands (ev): -31.5640 -31.5640 -31.5609 -31.5609 -31.5579 -31.5579 -13.3379 -13.3379 -12.9221 -12.9221 -12.9172 -12.9172 -12.6474 -12.6474 -12.5805 -12.5805 -12.4439 -12.4439 -12.4356 -12.4356 -12.3495 -12.3495 -12.3380 -12.3380 -8.1388 -8.1388 -7.6096 -7.6096 -7.6088 -7.6088 -5.0736 -5.0736 -5.0514 -5.0514 -5.0500 -5.0500 1.9203 1.9203 4.5987 4.5987 4.6712 4.6712 4.6977 4.6977 7.5283 7.5283 8.3303 8.3303 8.4926 8.4926 11.0713 11.0713 11.1168 11.1168 11.1822 11.1822 12.3231 12.3231 12.3256 12.3256 k = 0.3804 0.5000 0.3804 ( 4186 PWs) bands (ev): -31.5646 -31.5646 -31.5609 -31.5609 -31.5573 -31.5573 -13.3291 -13.3291 -12.9213 -12.9213 -12.9154 -12.9154 -12.6451 -12.6451 -12.5824 -12.5824 -12.4466 -12.4466 -12.4366 -12.4366 -12.3529 -12.3529 -12.3394 -12.3394 -8.1505 -8.1505 -7.6096 -7.6096 -7.6085 -7.6085 -5.0732 -5.0732 -5.0515 -5.0515 -5.0498 -5.0498 1.9180 1.9180 4.6025 4.6025 4.6889 4.6889 4.7196 4.7196 7.5155 7.5155 8.3023 8.3023 8.4947 8.4947 11.1038 11.1038 11.1531 11.1531 11.2268 11.2268 12.3015 12.3015 12.3070 12.3070 k = 0.3696 0.5000 0.3696 ( 4182 PWs) bands (ev): -31.5653 -31.5653 -31.5609 -31.5609 -31.5567 -31.5567 -13.3195 -13.3195 -12.9204 -12.9204 -12.9134 -12.9134 -12.6425 -12.6425 -12.5845 -12.5845 -12.4495 -12.4495 -12.4377 -12.4377 -12.3565 -12.3565 -12.3408 -12.3408 -8.1632 -8.1632 -7.6095 -7.6095 -7.6083 -7.6083 -5.0727 -5.0727 -5.0516 -5.0516 -5.0497 -5.0497 1.9152 1.9152 4.6068 4.6068 4.7081 4.7081 4.7433 4.7433 7.5016 7.5016 8.2743 8.2743 8.4983 8.4983 11.1389 11.1389 11.1902 11.1902 11.2728 11.2728 12.2765 12.2765 12.2886 12.2886 k = 0.3587 0.5000 0.3587 ( 4172 PWs) bands (ev): -31.5660 -31.5660 -31.5609 -31.5609 -31.5560 -31.5560 -13.3093 -13.3093 -12.9194 -12.9194 -12.9113 -12.9113 -12.6397 -12.6397 -12.5868 -12.5868 -12.4526 -12.4526 -12.4390 -12.4390 -12.3601 -12.3601 -12.3423 -12.3423 -8.1767 -8.1767 -7.6094 -7.6094 -7.6080 -7.6080 -5.0722 -5.0722 -5.0517 -5.0517 -5.0495 -5.0495 1.9117 1.9117 4.6118 4.6118 4.7288 4.7288 4.7687 4.7687 7.4864 7.4864 8.2469 8.2469 8.5033 8.5033 11.1767 11.1767 11.2274 11.2274 11.3198 11.3198 12.2485 12.2485 12.2697 12.2697 k = 0.3478 0.5000 0.3478 ( 4176 PWs) bands (ev): -31.5668 -31.5668 -31.5609 -31.5609 -31.5553 -31.5553 -13.2985 -13.2985 -12.9185 -12.9185 -12.9091 -12.9091 -12.6367 -12.6367 -12.5893 -12.5893 -12.4560 -12.4560 -12.4403 -12.4403 -12.3639 -12.3639 -12.3439 -12.3439 -8.1910 -8.1910 -7.6093 -7.6093 -7.6078 -7.6078 -5.0717 -5.0717 -5.0518 -5.0518 -5.0494 -5.0494 1.9076 1.9076 4.6174 4.6174 4.7508 4.7508 4.7957 4.7957 7.4699 7.4699 8.2207 8.2207 8.5099 8.5099 11.2168 11.2168 11.2642 11.2642 11.3674 11.3674 12.2177 12.2177 12.2507 12.2507 k = 0.3370 0.5000 0.3370 ( 4176 PWs) bands (ev): -31.5676 -31.5676 -31.5609 -31.5609 -31.5546 -31.5546 -13.2871 -13.2871 -12.9176 -12.9176 -12.9068 -12.9068 -12.6336 -12.6336 -12.5920 -12.5920 -12.4594 -12.4594 -12.4417 -12.4417 -12.3678 -12.3678 -12.3456 -12.3456 -8.2060 -8.2060 -7.6092 -7.6092 -7.6076 -7.6076 -5.0712 -5.0712 -5.0520 -5.0520 -5.0492 -5.0492 1.9028 1.9028 4.6239 4.6239 4.7741 4.7741 4.8241 4.8241 7.4519 7.4519 8.1964 8.1964 8.5183 8.5183 11.2593 11.2593 11.2997 11.2997 11.4152 11.4152 12.1841 12.1841 12.2317 12.2317 k = 0.3261 0.5000 0.3261 ( 4170 PWs) bands (ev): -31.5684 -31.5684 -31.5609 -31.5609 -31.5538 -31.5538 -13.2751 -13.2751 -12.9166 -12.9166 -12.9044 -12.9044 -12.6302 -12.6302 -12.5948 -12.5948 -12.4630 -12.4630 -12.4432 -12.4432 -12.3717 -12.3717 -12.3472 -12.3472 -8.2217 -8.2217 -7.6091 -7.6091 -7.6073 -7.6073 -5.0707 -5.0707 -5.0521 -5.0521 -5.0491 -5.0491 1.8973 1.8973 4.6311 4.6311 4.7987 4.7987 4.8538 4.8538 7.4324 7.4324 8.1743 8.1743 8.5284 8.5284 11.3038 11.3038 11.3334 11.3334 11.4630 11.4630 12.1479 12.1479 12.2132 12.2132 k = 0.3152 0.5000 0.3152 ( 4182 PWs) bands (ev): -31.5693 -31.5693 -31.5610 -31.5610 -31.5530 -31.5530 -13.2627 -13.2627 -12.9157 -12.9157 -12.9019 -12.9019 -12.6268 -12.6268 -12.5979 -12.5979 -12.4668 -12.4668 -12.4448 -12.4448 -12.3758 -12.3758 -12.3490 -12.3490 -8.2380 -8.2380 -7.6090 -7.6090 -7.6071 -7.6071 -5.0702 -5.0702 -5.0523 -5.0523 -5.0490 -5.0490 1.8910 1.8910 4.6391 4.6391 4.8245 4.8245 4.8848 4.8848 7.4110 7.4110 8.1552 8.1552 8.5402 8.5402 11.3495 11.3495 11.3653 11.3653 11.5106 11.5106 12.1092 12.1092 12.1952 12.1952 k = 0.3043 0.5000 0.3043 ( 4188 PWs) bands (ev): -31.5702 -31.5702 -31.5610 -31.5610 -31.5522 -31.5522 -13.2498 -13.2498 -12.9149 -12.9149 -12.8993 -12.8993 -12.6232 -12.6232 -12.6011 -12.6011 -12.4707 -12.4707 -12.4465 -12.4465 -12.3798 -12.3798 -12.3508 -12.3508 -8.2549 -8.2549 -7.6089 -7.6089 -7.6069 -7.6069 -5.0697 -5.0697 -5.0525 -5.0525 -5.0489 -5.0489 1.8840 1.8840 4.6480 4.6480 4.8514 4.8514 4.9168 4.9168 7.3878 7.3878 8.1395 8.1395 8.5538 8.5538 11.3872 11.3872 11.4036 11.4036 11.5578 11.5578 12.0681 12.0681 12.1782 12.1783 k = 0.2935 0.5000 0.2935 ( 4192 PWs) bands (ev): -31.5711 -31.5711 -31.5610 -31.5610 -31.5513 -31.5513 -13.2366 -13.2366 -12.9140 -12.9140 -12.8967 -12.8967 -12.6194 -12.6194 -12.6044 -12.6044 -12.4746 -12.4746 -12.4483 -12.4483 -12.3838 -12.3838 -12.3526 -12.3526 -8.2722 -8.2722 -7.6089 -7.6089 -7.6067 -7.6067 -5.0692 -5.0692 -5.0527 -5.0527 -5.0488 -5.0488 1.8761 1.8761 4.6577 4.6577 4.8795 4.8795 4.9497 4.9497 7.3625 7.3625 8.1277 8.1277 8.5692 8.5692 11.4114 11.4114 11.4530 11.4530 11.6045 11.6045 12.0248 12.0248 12.1625 12.1625 k = 0.2826 0.5000 0.2826 ( 4190 PWs) bands (ev): -31.5720 -31.5720 -31.5610 -31.5610 -31.5505 -31.5505 -13.2230 -13.2230 -12.9133 -12.9133 -12.8939 -12.8939 -12.6155 -12.6155 -12.6078 -12.6078 -12.4785 -12.4785 -12.4501 -12.4501 -12.3878 -12.3878 -12.3543 -12.3543 -8.2900 -8.2900 -7.6088 -7.6088 -7.6065 -7.6065 -5.0687 -5.0687 -5.0529 -5.0529 -5.0487 -5.0487 1.8675 1.8675 4.6682 4.6682 4.9085 4.9085 4.9834 4.9834 7.3351 7.3351 8.1200 8.1200 8.5864 8.5864 11.4295 11.4295 11.5054 11.5054 11.6506 11.6506 11.9796 11.9796 12.1484 12.1484 k = 0.2717 0.5000 0.2717 ( 4198 PWs) bands (ev): -31.5730 -31.5730 -31.5610 -31.5610 -31.5496 -31.5496 -13.2091 -13.2091 -12.9126 -12.9126 -12.8911 -12.8911 -12.6122 -12.6122 -12.6108 -12.6108 -12.4824 -12.4824 -12.4520 -12.4520 -12.3918 -12.3918 -12.3561 -12.3561 -8.3080 -8.3080 -7.6087 -7.6087 -7.6064 -7.6064 -5.0682 -5.0682 -5.0532 -5.0532 -5.0486 -5.0486 1.8582 1.8582 4.6796 4.6796 4.9384 4.9384 5.0178 5.0178 7.3055 7.3055 8.1167 8.1167 8.6054 8.6054 11.4419 11.4419 11.5596 11.5596 11.6960 11.6960 11.9327 11.9327 12.1358 12.1358 k = 0.2609 0.5000 0.2609 ( 4194 PWs) bands (ev): -31.5740 -31.5740 -31.5610 -31.5610 -31.5487 -31.5487 -13.1950 -13.1950 -12.9121 -12.9121 -12.8881 -12.8881 -12.6151 -12.6151 -12.6073 -12.6073 -12.4863 -12.4863 -12.4540 -12.4540 -12.3957 -12.3957 -12.3578 -12.3578 -8.3262 -8.3262 -7.6086 -7.6086 -7.6062 -7.6062 -5.0677 -5.0677 -5.0534 -5.0534 -5.0486 -5.0486 1.8482 1.8482 4.6916 4.6916 4.9692 4.9692 5.0526 5.0526 7.2740 7.2740 8.1180 8.1180 8.6260 8.6260 11.4485 11.4485 11.6154 11.6154 11.7408 11.7408 11.8844 11.8844 12.1251 12.1251 k = 0.2500 0.5000 0.2500 ( 4210 PWs) bands (ev): -31.5749 -31.5749 -31.5611 -31.5611 -31.5478 -31.5478 -13.1808 -13.1808 -12.9117 -12.9117 -12.8852 -12.8852 -12.6188 -12.6188 -12.6032 -12.6032 -12.4903 -12.4903 -12.4562 -12.4562 -12.3997 -12.3997 -12.3595 -12.3595 -8.3446 -8.3446 -7.6086 -7.6086 -7.6061 -7.6061 -5.0673 -5.0673 -5.0537 -5.0537 -5.0486 -5.0486 1.8375 1.8375 4.7044 4.7044 5.0008 5.0008 5.0878 5.0878 7.2404 7.2404 8.1238 8.1238 8.6484 8.6484 11.4493 11.4493 11.6725 11.6725 11.7849 11.7849 11.8349 11.8349 12.1161 12.1161 k = 0.2391 0.5000 0.2391 ( 4194 PWs) bands (ev): -31.5759 -31.5759 -31.5611 -31.5611 -31.5469 -31.5469 -13.1663 -13.1663 -12.9113 -12.9113 -12.8821 -12.8821 -12.6224 -12.6224 -12.5989 -12.5989 -12.4941 -12.4941 -12.4583 -12.4583 -12.4036 -12.4036 -12.3610 -12.3610 -8.3631 -8.3631 -7.6085 -7.6085 -7.6059 -7.6059 -5.0668 -5.0668 -5.0539 -5.0539 -5.0486 -5.0486 1.8262 1.8262 4.7178 4.7178 5.0330 5.0330 5.1231 5.1231 7.2052 7.2052 8.1341 8.1341 8.6724 8.6724 11.4444 11.4444 11.7301 11.7301 11.7851 11.7851 11.8286 11.8286 12.1088 12.1088 k = 0.2283 0.5000 0.2283 ( 4190 PWs) bands (ev): -31.5768 -31.5768 -31.5611 -31.5611 -31.5460 -31.5460 -13.1520 -13.1520 -12.9112 -12.9112 -12.8789 -12.8789 -12.6259 -12.6259 -12.5946 -12.5946 -12.4980 -12.4980 -12.4604 -12.4604 -12.4075 -12.4075 -12.3625 -12.3625 -8.3815 -8.3815 -7.6085 -7.6085 -7.6058 -7.6058 -5.0664 -5.0664 -5.0542 -5.0542 -5.0486 -5.0486 1.8144 1.8144 4.7317 4.7317 5.0659 5.0659 5.1585 5.1585 7.1684 7.1684 8.1486 8.1486 8.6979 8.6979 11.4344 11.4344 11.7315 11.7315 11.7920 11.7920 11.8715 11.8715 12.1029 12.1029 k = 0.2174 0.5000 0.2174 ( 4194 PWs) bands (ev): -31.5778 -31.5778 -31.5611 -31.5611 -31.5452 -31.5452 -13.1377 -13.1377 -12.9112 -12.9112 -12.8758 -12.8758 -12.6294 -12.6294 -12.5904 -12.5904 -12.5019 -12.5019 -12.4626 -12.4626 -12.4114 -12.4114 -12.3639 -12.3639 -8.3999 -8.3999 -7.6085 -7.6085 -7.6058 -7.6058 -5.0660 -5.0660 -5.0545 -5.0545 -5.0487 -5.0487 1.8022 1.8022 4.7461 4.7461 5.0993 5.0993 5.1936 5.1936 7.1303 7.1303 8.1672 8.1672 8.7250 8.7250 11.4197 11.4197 11.6806 11.6806 11.8517 11.8517 11.9139 11.9139 12.0982 12.0982 k = 0.2065 0.5000 0.2065 ( 4194 PWs) bands (ev): -31.5787 -31.5787 -31.5611 -31.5611 -31.5443 -31.5443 -13.1235 -13.1235 -12.9114 -12.9114 -12.8725 -12.8725 -12.6327 -12.6327 -12.5861 -12.5861 -12.5058 -12.5058 -12.4648 -12.4648 -12.4152 -12.4152 -12.3652 -12.3652 -8.4180 -8.4180 -7.6085 -7.6085 -7.6057 -7.6057 -5.0656 -5.0656 -5.0548 -5.0548 -5.0487 -5.0487 1.7897 1.7897 4.7607 4.7607 5.1330 5.1330 5.2285 5.2285 7.0912 7.0912 8.1895 8.1895 8.7536 8.7536 11.4010 11.4010 11.6289 11.6289 11.9127 11.9127 11.9559 11.9559 12.0946 12.0946 k = 0.1957 0.5000 0.1957 ( 4190 PWs) bands (ev): -31.5796 -31.5796 -31.5612 -31.5612 -31.5434 -31.5434 -13.1095 -13.1095 -12.9118 -12.9118 -12.8692 -12.8692 -12.6358 -12.6358 -12.5818 -12.5818 -12.5097 -12.5097 -12.4670 -12.4670 -12.4190 -12.4190 -12.3663 -12.3663 -8.4359 -8.4359 -7.6085 -7.6085 -7.6056 -7.6056 -5.0653 -5.0653 -5.0552 -5.0552 -5.0488 -5.0488 1.7769 1.7769 4.7756 4.7756 5.1671 5.1671 5.2629 5.2629 7.0513 7.0513 8.2152 8.2152 8.7836 8.7836 11.3791 11.3791 11.5771 11.5771 11.9736 11.9736 11.9982 11.9982 12.0918 12.0918 k = 0.1848 0.5000 0.1848 ( 4184 PWs) bands (ev): -31.5805 -31.5805 -31.5612 -31.5612 -31.5426 -31.5426 -13.0958 -13.0958 -12.9124 -12.9124 -12.8659 -12.8659 -12.6387 -12.6387 -12.5776 -12.5776 -12.5137 -12.5137 -12.4691 -12.4691 -12.4227 -12.4227 -12.3672 -12.3672 -8.4534 -8.4534 -7.6085 -7.6085 -7.6055 -7.6055 -5.0649 -5.0649 -5.0555 -5.0555 -5.0489 -5.0489 1.7641 1.7641 4.7906 4.7906 5.2015 5.2015 5.2966 5.2966 7.0110 7.0110 8.2438 8.2438 8.8149 8.8149 11.3546 11.3546 11.5257 11.5257 12.0295 12.0295 12.0451 12.0451 12.0901 12.0901 k = 0.1739 0.5000 0.1739 ( 4196 PWs) bands (ev): -31.5814 -31.5814 -31.5612 -31.5612 -31.5418 -31.5418 -13.0825 -13.0825 -12.9132 -12.9132 -12.8625 -12.8625 -12.6413 -12.6413 -12.5736 -12.5736 -12.5177 -12.5177 -12.4712 -12.4712 -12.4265 -12.4265 -12.3681 -12.3681 -8.4705 -8.4705 -7.6086 -7.6086 -7.6055 -7.6055 -5.0646 -5.0646 -5.0558 -5.0558 -5.0490 -5.0490 1.7512 1.7512 4.8055 4.8055 5.2358 5.2358 5.3294 5.3294 6.9703 6.9703 8.2751 8.2751 8.8474 8.8474 11.3283 11.3283 11.4749 11.4749 12.0689 12.0689 12.0926 12.0926 12.1050 12.1050 k = 0.1630 0.5000 0.1630 ( 4196 PWs) bands (ev): -31.5822 -31.5822 -31.5612 -31.5612 -31.5410 -31.5410 -13.0695 -13.0695 -12.9141 -12.9141 -12.8592 -12.8592 -12.6435 -12.6435 -12.5696 -12.5696 -12.5217 -12.5217 -12.4733 -12.4733 -12.4302 -12.4302 -12.3687 -12.3687 -8.4870 -8.4870 -7.6087 -7.6087 -7.6054 -7.6054 -5.0644 -5.0644 -5.0561 -5.0561 -5.0491 -5.0491 1.7384 1.7384 4.8203 4.8203 5.2702 5.2702 5.3613 5.3613 6.9297 6.9297 8.3084 8.3084 8.8810 8.8810 11.3007 11.3007 11.4249 11.4249 12.0798 12.0798 12.1215 12.1215 12.1675 12.1675 k = 0.1522 0.5000 0.1522 ( 4182 PWs) bands (ev): -31.5830 -31.5830 -31.5612 -31.5612 -31.5403 -31.5403 -13.0570 -13.0570 -12.9152 -12.9152 -12.8558 -12.8558 -12.6452 -12.6452 -12.5658 -12.5658 -12.5256 -12.5256 -12.4752 -12.4752 -12.4338 -12.4338 -12.3692 -12.3692 -8.5029 -8.5029 -7.6087 -7.6087 -7.6054 -7.6054 -5.0642 -5.0642 -5.0564 -5.0564 -5.0492 -5.0492 1.7259 1.7259 4.8348 4.8348 5.3044 5.3044 5.3921 5.3921 6.8893 6.8893 8.3434 8.3434 8.9156 8.9156 11.2726 11.2726 11.3760 11.3760 12.0795 12.0795 12.1608 12.1608 12.2312 12.2312 k = 0.1413 0.5000 0.1413 ( 4186 PWs) bands (ev): -31.5838 -31.5838 -31.5612 -31.5612 -31.5396 -31.5396 -13.0451 -13.0451 -12.9164 -12.9164 -12.8524 -12.8524 -12.6466 -12.6466 -12.5625 -12.5625 -12.5294 -12.5294 -12.4771 -12.4771 -12.4374 -12.4374 -12.3696 -12.3696 -8.5181 -8.5181 -7.6088 -7.6088 -7.6053 -7.6053 -5.0640 -5.0640 -5.0567 -5.0567 -5.0493 -5.0493 1.7137 1.7137 4.8489 4.8489 5.3382 5.3382 5.4215 5.4215 6.8494 6.8494 8.3794 8.3794 8.9509 8.9509 11.2444 11.2444 11.3285 11.3285 12.0783 12.0783 12.2011 12.2011 12.2952 12.2952 k = 0.1304 0.5000 0.1304 ( 4190 PWs) bands (ev): -31.5845 -31.5845 -31.5612 -31.5612 -31.5389 -31.5389 -13.0337 -13.0337 -12.9178 -12.9178 -12.8491 -12.8491 -12.6475 -12.6475 -12.5597 -12.5597 -12.5328 -12.5328 -12.4789 -12.4789 -12.4410 -12.4410 -12.3699 -12.3699 -8.5325 -8.5325 -7.6089 -7.6089 -7.6053 -7.6053 -5.0638 -5.0638 -5.0570 -5.0570 -5.0494 -5.0494 1.7019 1.7019 4.8624 4.8624 5.3715 5.3715 5.4494 5.4494 6.8103 6.8103 8.4159 8.4159 8.9868 8.9868 11.2166 11.2166 11.2827 11.2827 12.0768 12.0768 12.2416 12.2416 12.3591 12.3591 k = 0.1196 0.5000 0.1196 ( 4182 PWs) bands (ev): -31.5852 -31.5852 -31.5613 -31.5613 -31.5383 -31.5383 -13.0230 -13.0230 -12.9193 -12.9193 -12.8458 -12.8458 -12.6479 -12.6479 -12.5581 -12.5581 -12.5353 -12.5353 -12.4806 -12.4806 -12.4444 -12.4444 -12.3699 -12.3699 -8.5461 -8.5461 -7.6090 -7.6090 -7.6053 -7.6053 -5.0637 -5.0637 -5.0572 -5.0572 -5.0495 -5.0495 1.6906 1.6906 4.8753 4.8753 5.4041 5.4041 5.4758 5.4758 6.7721 6.7721 8.4523 8.4523 9.0229 9.0229 11.1897 11.1897 11.2389 11.2389 12.0754 12.0754 12.2822 12.2822 12.4136 12.4137 k = 0.1087 0.5000 0.1087 ( 4186 PWs) bands (ev): -31.5858 -31.5858 -31.5613 -31.5613 -31.5377 -31.5377 -13.0130 -13.0130 -12.9209 -12.9209 -12.8427 -12.8427 -12.6478 -12.6478 -12.5583 -12.5583 -12.5363 -12.5363 -12.4823 -12.4823 -12.4478 -12.4478 -12.3699 -12.3699 -8.5588 -8.5588 -7.6092 -7.6092 -7.6052 -7.6052 -5.0636 -5.0636 -5.0575 -5.0575 -5.0496 -5.0496 1.6800 1.6800 4.8875 4.8875 5.4357 5.4357 5.5004 5.5004 6.7353 6.7353 8.4881 8.4881 9.0590 9.0590 11.1639 11.1639 11.1973 11.1973 12.0740 12.0740 12.3225 12.3225 12.3730 12.3730 k = 0.0978 0.5000 0.0978 ( 4188 PWs) bands (ev): -31.5864 -31.5864 -31.5613 -31.5613 -31.5372 -31.5372 -13.0038 -13.0038 -12.9227 -12.9227 -12.8397 -12.8397 -12.6472 -12.6472 -12.5605 -12.5605 -12.5355 -12.5355 -12.4840 -12.4840 -12.4510 -12.4510 -12.3697 -12.3697 -8.5705 -8.5705 -7.6093 -7.6093 -7.6052 -7.6052 -5.0636 -5.0636 -5.0577 -5.0577 -5.0497 -5.0497 1.6701 1.6701 4.8988 4.8988 5.4661 5.4661 5.5231 5.5231 6.7001 6.7001 8.5226 8.5226 9.0945 9.0945 11.1397 11.1397 11.1584 11.1584 12.0727 12.0727 12.3220 12.3220 12.3657 12.3657 k = 0.0870 0.5000 0.0870 ( 4180 PWs) bands (ev): -31.5869 -31.5869 -31.5613 -31.5613 -31.5367 -31.5367 -12.9953 -12.9953 -12.9244 -12.9244 -12.8368 -12.8368 -12.6460 -12.6460 -12.5641 -12.5641 -12.5334 -12.5334 -12.4856 -12.4856 -12.4540 -12.4540 -12.3695 -12.3695 -8.5811 -8.5811 -7.6094 -7.6094 -7.6052 -7.6052 -5.0636 -5.0636 -5.0579 -5.0579 -5.0497 -5.0497 1.6610 1.6610 4.9091 4.9091 5.4949 5.4949 5.5438 5.5438 6.6668 6.6668 8.5553 8.5553 9.1291 9.1291 11.1173 11.1173 11.1224 11.1224 12.0716 12.0716 12.2755 12.2755 12.4061 12.4061 k = 0.0761 0.5000 0.0761 ( 4168 PWs) bands (ev): -31.5874 -31.5874 -31.5613 -31.5613 -31.5362 -31.5362 -12.9875 -12.9875 -12.9262 -12.9262 -12.8342 -12.8342 -12.6442 -12.6442 -12.5686 -12.5686 -12.5306 -12.5306 -12.4872 -12.4872 -12.4569 -12.4569 -12.3693 -12.3693 -8.5906 -8.5906 -7.6095 -7.6095 -7.6051 -7.6051 -5.0636 -5.0636 -5.0580 -5.0580 -5.0498 -5.0498 1.6528 1.6528 4.9185 4.9185 5.5219 5.5219 5.5625 5.5625 6.6359 6.6359 8.5857 8.5857 9.1620 9.1620 11.0893 11.0893 11.0974 11.0974 12.0706 12.0706 12.2310 12.2310 12.4470 12.4470 k = 0.0652 0.5000 0.0652 ( 4168 PWs) bands (ev): -31.5878 -31.5878 -31.5613 -31.5613 -31.5358 -31.5358 -12.9805 -12.9805 -12.9281 -12.9281 -12.8319 -12.8319 -12.6420 -12.6420 -12.5734 -12.5734 -12.5276 -12.5276 -12.4888 -12.4888 -12.4595 -12.4595 -12.3690 -12.3690 -8.5990 -8.5990 -7.6096 -7.6096 -7.6051 -7.6051 -5.0636 -5.0636 -5.0581 -5.0581 -5.0499 -5.0499 1.6455 1.6455 4.9267 4.9267 5.5465 5.5465 5.5789 5.5789 6.6077 6.6077 8.6131 8.6131 9.1926 9.1926 11.0601 11.0601 11.0793 11.0793 12.0696 12.0696 12.1899 12.1899 12.4874 12.4874 k = 0.0543 0.5000 0.0543 ( 4170 PWs) bands (ev): -31.5881 -31.5881 -31.5613 -31.5613 -31.5355 -31.5355 -12.9744 -12.9744 -12.9300 -12.9300 -12.8299 -12.8299 -12.6395 -12.6395 -12.5784 -12.5784 -12.5245 -12.5245 -12.4906 -12.4906 -12.4618 -12.4618 -12.3687 -12.3687 -8.6062 -8.6062 -7.6097 -7.6097 -7.6051 -7.6051 -5.0636 -5.0636 -5.0582 -5.0582 -5.0499 -5.0499 1.6393 1.6393 4.9338 4.9338 5.5684 5.5684 5.5930 5.5930 6.5827 6.5827 8.6372 8.6372 9.2203 9.2203 11.0347 11.0347 11.0638 11.0638 12.0687 12.0687 12.1532 12.1532 12.5268 12.5268 k = 0.0435 0.5000 0.0435 ( 4154 PWs) bands (ev): -31.5884 -31.5884 -31.5613 -31.5613 -31.5352 -31.5352 -12.9690 -12.9690 -12.9318 -12.9318 -12.8281 -12.8281 -12.6366 -12.6366 -12.5833 -12.5833 -12.5215 -12.5215 -12.4924 -12.4924 -12.4636 -12.4636 -12.3684 -12.3684 -8.6121 -8.6121 -7.6098 -7.6098 -7.6051 -7.6051 -5.0637 -5.0637 -5.0583 -5.0583 -5.0500 -5.0500 1.6341 1.6341 4.9397 4.9397 5.5869 5.5869 5.6050 5.6050 6.5613 6.5613 8.6575 8.6575 9.2443 9.2443 11.0134 11.0134 11.0509 11.0509 12.0681 12.0681 12.1216 12.1216 12.5643 12.5643 k = 0.0326 0.5000 0.0326 ( 4154 PWs) bands (ev): -31.5886 -31.5886 -31.5613 -31.5613 -31.5350 -31.5350 -12.9646 -12.9646 -12.9336 -12.9336 -12.8268 -12.8268 -12.6337 -12.6337 -12.5878 -12.5878 -12.5187 -12.5187 -12.4942 -12.4942 -12.4652 -12.4652 -12.3682 -12.3682 -8.6167 -8.6167 -7.6098 -7.6098 -7.6051 -7.6051 -5.0637 -5.0637 -5.0583 -5.0583 -5.0500 -5.0500 1.6300 1.6300 4.9443 4.9443 5.6016 5.6016 5.6147 5.6147 6.5440 6.5440 8.6736 8.6736 9.2638 9.2638 10.9965 10.9965 11.0408 11.0408 12.0675 12.0675 12.0962 12.0962 12.5983 12.5983 k = 0.0217 0.5000 0.0217 ( 4158 PWs) bands (ev): -31.5888 -31.5888 -31.5613 -31.5613 -31.5349 -31.5349 -12.9612 -12.9612 -12.9352 -12.9352 -12.8258 -12.8258 -12.6310 -12.6310 -12.5917 -12.5917 -12.5162 -12.5162 -12.4958 -12.4958 -12.4663 -12.4663 -12.3680 -12.3680 -8.6200 -8.6200 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0583 -5.0583 -5.0501 -5.0501 1.6271 1.6271 4.9476 4.9476 5.6118 5.6118 5.6223 5.6223 6.5314 6.5314 8.6854 8.6854 9.2782 9.2782 10.9843 10.9843 11.0335 11.0335 12.0670 12.0670 12.0774 12.0774 12.6263 12.6263 k = 0.0109 0.5000 0.0109 ( 4140 PWs) bands (ev): -31.5889 -31.5889 -31.5613 -31.5613 -31.5348 -31.5348 -12.9589 -12.9589 -12.9363 -12.9363 -12.8251 -12.8251 -12.6290 -12.6290 -12.5944 -12.5944 -12.5145 -12.5145 -12.4970 -12.4970 -12.4669 -12.4669 -12.3678 -12.3678 -8.6220 -8.6220 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0584 -5.0584 -5.0501 -5.0501 1.6253 1.6253 4.9496 4.9496 5.6176 5.6176 5.6274 5.6274 6.5236 6.5236 8.6925 8.6925 9.2871 9.2871 10.9770 10.9770 11.0292 11.0292 12.0652 12.0652 12.0675 12.0675 12.6454 12.6454 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -31.5889 -31.5889 -31.5613 -31.5613 -31.5347 -31.5347 -12.9581 -12.9581 -12.9367 -12.9367 -12.8249 -12.8249 -12.6282 -12.6282 -12.5954 -12.5954 -12.5139 -12.5139 -12.4975 -12.4975 -12.4671 -12.4671 -12.3678 -12.3678 -8.6227 -8.6227 -7.6099 -7.6099 -7.6050 -7.6050 -5.0638 -5.0638 -5.0584 -5.0584 -5.0501 -5.0501 1.6247 1.6247 4.9502 4.9502 5.6195 5.6195 5.6292 5.6292 6.5210 6.5210 8.6949 8.6949 9.2901 9.2901 10.9745 10.9745 11.0277 11.0277 12.0617 12.0617 12.0670 12.0670 12.6522 12.6522 k = 0.5000 0.5000-0.0000 ( 4196 PWs) bands (ev): -31.5617 -31.5617 -31.5611 -31.5611 -31.5611 -31.5611 -13.1416 -13.1416 -12.9138 -12.9138 -12.8778 -12.8778 -12.6417 -12.6417 -12.5694 -12.5694 -12.5072 -12.5072 -12.5013 -12.5013 -12.4016 -12.4016 -12.3625 -12.3625 -8.3350 -8.3350 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0532 -5.0532 -5.0450 -5.0450 1.9160 1.9160 4.6202 4.6202 4.6262 4.6262 5.4990 5.4990 7.2223 7.2223 7.7815 7.7815 8.9542 8.9542 11.4216 11.4216 11.8864 11.8864 11.8977 11.8977 11.9688 11.9688 11.9774 11.9774 k = 0.5000 0.5000 0.0152 ( 4196 PWs) bands (ev): -31.5617 -31.5617 -31.5611 -31.5611 -31.5610 -31.5610 -13.1424 -13.1424 -12.9139 -12.9139 -12.8779 -12.8779 -12.6414 -12.6414 -12.5699 -12.5699 -12.5067 -12.5067 -12.5011 -12.5011 -12.4015 -12.4015 -12.3625 -12.3625 -8.3345 -8.3345 -7.6061 -7.6061 -7.6058 -7.6058 -5.0657 -5.0657 -5.0532 -5.0532 -5.0450 -5.0450 1.9160 1.9160 4.6202 4.6202 4.6261 4.6261 5.4966 5.4966 7.2232 7.2232 7.7826 7.7826 8.9526 8.9526 11.4203 11.4203 11.8823 11.8823 11.8931 11.8931 11.9730 11.9730 11.9810 11.9810 k = 0.5000 0.5000 0.0303 ( 4180 PWs) bands (ev): -31.5617 -31.5617 -31.5610 -31.5610 -31.5610 -31.5610 -13.1445 -13.1445 -12.9139 -12.9139 -12.8782 -12.8782 -12.6405 -12.6405 -12.5714 -12.5714 -12.5052 -12.5052 -12.5004 -12.5004 -12.4011 -12.4011 -12.3623 -12.3623 -8.3327 -8.3327 -7.6061 -7.6061 -7.6058 -7.6058 -5.0658 -5.0658 -5.0532 -5.0532 -5.0451 -5.0451 1.9161 1.9161 4.6201 4.6201 4.6259 4.6259 5.4897 5.4897 7.2256 7.2256 7.7862 7.7862 8.9478 8.9478 11.4162 11.4162 11.8714 11.8714 11.8815 11.8815 11.9836 11.9836 11.9904 11.9904 k = 0.5000 0.5000 0.0455 ( 4184 PWs) bands (ev): -31.5617 -31.5617 -31.5610 -31.5610 -31.5610 -31.5610 -13.1481 -13.1481 -12.9140 -12.9140 -12.8786 -12.8786 -12.6391 -12.6391 -12.5739 -12.5739 -12.5028 -12.5028 -12.4992 -12.4992 -12.4005 -12.4005 -12.3620 -12.3620 -8.3299 -8.3299 -7.6061 -7.6061 -7.6058 -7.6058 -5.0659 -5.0659 -5.0532 -5.0532 -5.0451 -5.0451 1.9162 1.9162 4.6199 4.6199 4.6254 4.6254 5.4781 5.4781 7.2296 7.2296 7.7920 7.7920 8.9398 8.9398 11.4095 11.4095 11.8559 11.8559 11.8658 11.8658 11.9974 11.9974 12.0031 12.0031 k = 0.5000 0.5000 0.0606 ( 4184 PWs) bands (ev): -31.5617 -31.5617 -31.5610 -31.5610 -31.5610 -31.5610 -13.1530 -13.1530 -12.9142 -12.9142 -12.8793 -12.8793 -12.6371 -12.6371 -12.5770 -12.5770 -12.4998 -12.4998 -12.4977 -12.4977 -12.3996 -12.3996 -12.3617 -12.3617 -8.3260 -8.3260 -7.6062 -7.6062 -7.6059 -7.6059 -5.0661 -5.0661 -5.0531 -5.0531 -5.0452 -5.0452 1.9164 1.9164 4.6196 4.6196 4.6247 4.6247 5.4622 5.4622 7.2352 7.2352 7.8002 7.8002 8.9289 8.9289 11.4002 11.4002 11.8374 11.8374 11.8478 11.8478 12.0127 12.0127 12.0177 12.0177 k = 0.5000 0.5000 0.0758 ( 4176 PWs) bands (ev): -31.5617 -31.5617 -31.5610 -31.5610 -31.5610 -31.5610 -13.1591 -13.1591 -12.9144 -12.9144 -12.8802 -12.8802 -12.6347 -12.6347 -12.5806 -12.5806 -12.4962 -12.4962 -12.4957 -12.4957 -12.3985 -12.3985 -12.3612 -12.3612 -8.3211 -8.3211 -7.6063 -7.6063 -7.6060 -7.6060 -5.0662 -5.0662 -5.0531 -5.0531 -5.0454 -5.0454 1.9166 1.9166 4.6192 4.6192 4.6239 4.6239 5.4421 5.4421 7.2423 7.2423 7.8107 7.8107 8.9152 8.9152 11.3884 11.3884 11.8166 11.8166 11.8280 11.8280 12.0289 12.0289 12.0333 12.0333 k = 0.5000 0.5000 0.0909 ( 4196 PWs) bands (ev): -31.5617 -31.5617 -31.5610 -31.5610 -31.5610 -31.5610 -13.1663 -13.1663 -12.9147 -12.9147 -12.8813 -12.8813 -12.6320 -12.6320 -12.5847 -12.5847 -12.4935 -12.4935 -12.4925 -12.4925 -12.3972 -12.3972 -12.3607 -12.3607 -8.3151 -8.3151 -7.6064 -7.6064 -7.6061 -7.6061 -5.0665 -5.0665 -5.0530 -5.0530 -5.0455 -5.0455 1.9168 1.9168 4.6187 4.6187 4.6229 4.6229 5.4180 5.4180 7.2510 7.2510 7.8235 7.8235 8.8989 8.8989 11.3743 11.3743 11.7937 11.7937 11.8065 11.8065 12.0456 12.0456 12.0495 12.0495 k = 0.5000 0.5000 0.1061 ( 4196 PWs) bands (ev): -31.5616 -31.5616 -31.5610 -31.5610 -31.5610 -31.5610 -13.1745 -13.1745 -12.9150 -12.9150 -12.8826 -12.8826 -12.6289 -12.6289 -12.5889 -12.5889 -12.4909 -12.4909 -12.4885 -12.4885 -12.3956 -12.3956 -12.3600 -12.3600 -8.3082 -8.3082 -7.6065 -7.6065 -7.6062 -7.6062 -5.0667 -5.0667 -5.0530 -5.0530 -5.0457 -5.0457 1.9171 1.9171 4.6181 4.6181 4.6217 4.6217 5.3903 5.3903 7.2611 7.2611 7.8385 7.8385 8.8803 8.8803 11.3580 11.3580 11.7689 11.7689 11.7835 11.7835 12.0628 12.0628 12.0663 12.0663 k = 0.5000 0.5000 0.1212 ( 4180 PWs) bands (ev): -31.5616 -31.5616 -31.5610 -31.5610 -31.5610 -31.5610 -13.1835 -13.1835 -12.9153 -12.9153 -12.8841 -12.8841 -12.6255 -12.6255 -12.5932 -12.5932 -12.4879 -12.4879 -12.4843 -12.4843 -12.3938 -12.3938 -12.3592 -12.3592 -8.3003 -8.3003 -7.6066 -7.6066 -7.6063 -7.6063 -5.0670 -5.0670 -5.0529 -5.0529 -5.0459 -5.0459 1.9174 1.9174 4.6174 4.6174 4.6204 4.6204 5.3593 5.3593 7.2726 7.2726 7.8558 7.8558 8.8597 8.8597 11.3398 11.3398 11.7422 11.7422 11.7588 11.7588 12.0803 12.0803 12.0835 12.0835 k = 0.5000 0.5000 0.1364 ( 4188 PWs) bands (ev): -31.5616 -31.5616 -31.5610 -31.5610 -31.5610 -31.5610 -13.1933 -13.1933 -12.9157 -12.9157 -12.8858 -12.8858 -12.6220 -12.6220 -12.5976 -12.5976 -12.4848 -12.4848 -12.4802 -12.4802 -12.3917 -12.3917 -12.3584 -12.3584 -8.2917 -8.2917 -7.6067 -7.6067 -7.6065 -7.6065 -5.0673 -5.0673 -5.0528 -5.0528 -5.0462 -5.0462 1.9178 1.9178 4.6167 4.6167 4.6189 4.6189 5.3253 5.3253 7.2854 7.2854 7.8751 7.8751 8.8374 8.8374 11.3199 11.3199 11.7135 11.7135 11.7323 11.7323 12.0981 12.0981 12.1010 12.1010 k = 0.5000 0.5000 0.1515 ( 4188 PWs) bands (ev): -31.5615 -31.5615 -31.5610 -31.5610 -31.5610 -31.5610 -13.2036 -13.2036 -12.9162 -12.9162 -12.8876 -12.8876 -12.6184 -12.6184 -12.6020 -12.6020 -12.4815 -12.4815 -12.4761 -12.4761 -12.3894 -12.3894 -12.3574 -12.3574 -8.2823 -8.2823 -7.6069 -7.6069 -7.6067 -7.6067 -5.0677 -5.0677 -5.0528 -5.0528 -5.0464 -5.0464 1.9182 1.9182 4.6158 4.6158 4.6172 4.6172 5.2888 5.2888 7.2994 7.2994 7.8965 7.8965 8.8138 8.8138 11.2986 11.2986 11.6826 11.6826 11.7039 11.7039 12.1161 12.1161 12.1187 12.1187 k = 0.5000 0.5000 0.1667 ( 4204 PWs) bands (ev): -31.5615 -31.5615 -31.5610 -31.5610 -31.5610 -31.5610 -13.2144 -13.2144 -12.9167 -12.9167 -12.8896 -12.8896 -12.6148 -12.6148 -12.6064 -12.6064 -12.4780 -12.4780 -12.4722 -12.4722 -12.3870 -12.3870 -12.3564 -12.3564 -8.2722 -8.2722 -7.6071 -7.6071 -7.6068 -7.6068 -5.0681 -5.0681 -5.0527 -5.0527 -5.0467 -5.0467 1.9186 1.9186 4.6149 4.6149 4.6154 4.6154 5.2501 5.2501 7.3146 7.3146 7.9200 7.9200 8.7892 8.7892 11.2760 11.2760 11.6497 11.6497 11.6735 11.6735 12.1343 12.1343 12.1367 12.1367 k = 0.5000 0.5000 0.1818 ( 4188 PWs) bands (ev): -31.5615 -31.5615 -31.5610 -31.5610 -31.5610 -31.5610 -13.2254 -13.2254 -12.9171 -12.9171 -12.8917 -12.8917 -12.6112 -12.6112 -12.6107 -12.6107 -12.4745 -12.4745 -12.4683 -12.4683 -12.3842 -12.3842 -12.3552 -12.3552 -8.2615 -8.2615 -7.6072 -7.6072 -7.6070 -7.6070 -5.0685 -5.0685 -5.0526 -5.0526 -5.0469 -5.0469 1.9190 1.9190 4.6135 4.6135 4.6139 4.6139 5.2097 5.2097 7.3307 7.3307 7.9453 7.9453 8.7639 8.7639 11.2526 11.2526 11.6148 11.6148 11.6411 11.6411 12.1528 12.1528 12.1550 12.1550 k = 0.5000 0.5000 0.1970 ( 4188 PWs) bands (ev): -31.5614 -31.5614 -31.5610 -31.5610 -31.5610 -31.5610 -13.2367 -13.2367 -12.9177 -12.9177 -12.8939 -12.8939 -12.6149 -12.6149 -12.6076 -12.6076 -12.4709 -12.4709 -12.4646 -12.4646 -12.3812 -12.3812 -12.3539 -12.3539 -8.2503 -8.2503 -7.6074 -7.6074 -7.6072 -7.6072 -5.0689 -5.0689 -5.0525 -5.0525 -5.0472 -5.0472 1.9195 1.9195 4.6115 4.6115 4.6128 4.6128 5.1679 5.1679 7.3477 7.3477 7.9724 7.9724 8.7384 8.7384 11.2286 11.2286 11.5779 11.5779 11.6067 11.6067 12.1713 12.1713 12.1733 12.1733 k = 0.5000 0.5000 0.2121 ( 4180 PWs) bands (ev): -31.5614 -31.5614 -31.5610 -31.5610 -31.5610 -31.5610 -13.2481 -13.2481 -12.9182 -12.9182 -12.8962 -12.8962 -12.6190 -12.6190 -12.6041 -12.6041 -12.4673 -12.4673 -12.4610 -12.4610 -12.3781 -12.3781 -12.3526 -12.3526 -8.2388 -8.2388 -7.6076 -7.6076 -7.6074 -7.6074 -5.0694 -5.0694 -5.0524 -5.0524 -5.0475 -5.0475 1.9200 1.9200 4.6095 4.6095 4.6116 4.6116 5.1252 5.1252 7.3654 7.3654 8.0012 8.0012 8.7130 8.7130 11.2042 11.2042 11.5391 11.5391 11.5703 11.5703 12.1898 12.1898 12.1918 12.1918 k = 0.5000 0.5000 0.2273 ( 4180 PWs) bands (ev): -31.5613 -31.5613 -31.5609 -31.5609 -31.5609 -31.5609 -13.2594 -13.2594 -12.9188 -12.9188 -12.8986 -12.8986 -12.6229 -12.6229 -12.6008 -12.6008 -12.4639 -12.4639 -12.4576 -12.4576 -12.3748 -12.3748 -12.3512 -12.3512 -8.2269 -8.2269 -7.6078 -7.6078 -7.6076 -7.6076 -5.0699 -5.0699 -5.0522 -5.0522 -5.0478 -5.0478 1.9205 1.9205 4.6073 4.6073 4.6104 4.6104 5.0819 5.0819 7.3836 7.3836 8.0315 8.0315 8.6881 8.6881 11.1798 11.1798 11.4985 11.4985 11.5320 11.5320 12.2082 12.2082 12.2102 12.2102 k = 0.5000 0.5000 0.2424 ( 4160 PWs) bands (ev): -31.5613 -31.5613 -31.5609 -31.5609 -31.5609 -31.5609 -13.2706 -13.2706 -12.9193 -12.9193 -12.9009 -12.9009 -12.6266 -12.6266 -12.5975 -12.5975 -12.4604 -12.4604 -12.4544 -12.4544 -12.3714 -12.3714 -12.3497 -12.3497 -8.2149 -8.2149 -7.6080 -7.6080 -7.6078 -7.6078 -5.0704 -5.0704 -5.0521 -5.0521 -5.0481 -5.0481 1.9210 1.9210 4.6051 4.6051 4.6091 4.6091 5.0386 5.0386 7.4022 7.4022 8.0631 8.0631 8.6639 8.6639 11.1555 11.1555 11.4564 11.4564 11.4919 11.4919 12.2266 12.2266 12.2285 12.2285 k = 0.5000 0.5000 0.2576 ( 4160 PWs) bands (ev): -31.5612 -31.5612 -31.5609 -31.5609 -31.5609 -31.5609 -13.2817 -13.2817 -12.9199 -12.9199 -12.9033 -12.9033 -12.6302 -12.6302 -12.5945 -12.5945 -12.4572 -12.4572 -12.4515 -12.4515 -12.3679 -12.3679 -12.3482 -12.3482 -8.2027 -8.2027 -7.6081 -7.6081 -7.6080 -7.6080 -5.0708 -5.0708 -5.0520 -5.0520 -5.0483 -5.0483 1.9216 1.9216 4.6028 4.6028 4.6078 4.6078 4.9955 4.9955 7.4208 7.4208 8.0958 8.0958 8.6408 8.6408 11.1315 11.1315 11.4130 11.4130 11.4502 11.4502 12.2446 12.2446 12.2467 12.2467 k = 0.5000 0.5000 0.2727 ( 4168 PWs) bands (ev): -31.5612 -31.5612 -31.5609 -31.5609 -31.5609 -31.5609 -13.2924 -13.2924 -12.9205 -12.9205 -12.9056 -12.9056 -12.6336 -12.6336 -12.5917 -12.5917 -12.4541 -12.4541 -12.4487 -12.4487 -12.3644 -12.3644 -12.3466 -12.3466 -8.1907 -8.1907 -7.6083 -7.6083 -7.6082 -7.6082 -5.0713 -5.0713 -5.0519 -5.0519 -5.0486 -5.0486 1.9221 1.9221 4.6006 4.6006 4.6065 4.6065 4.9530 4.9530 7.4393 7.4393 8.1295 8.1295 8.6190 8.6190 11.1081 11.1081 11.3687 11.3687 11.4072 11.4072 12.2624 12.2624 12.2645 12.2645 k = 0.5000 0.5000 0.2879 ( 4180 PWs) bands (ev): -31.5612 -31.5612 -31.5609 -31.5609 -31.5609 -31.5609 -13.3029 -13.3029 -12.9212 -12.9212 -12.9080 -12.9080 -12.6369 -12.6369 -12.5891 -12.5891 -12.4511 -12.4511 -12.4463 -12.4463 -12.3610 -12.3610 -12.3451 -12.3451 -8.1788 -8.1788 -7.6085 -7.6085 -7.6084 -7.6084 -5.0718 -5.0718 -5.0518 -5.0518 -5.0489 -5.0489 1.9226 1.9226 4.5983 4.5983 4.6051 4.6051 4.9116 4.9116 7.4575 7.4575 8.1639 8.1639 8.5989 8.5989 11.0855 11.0855 11.3238 11.3238 11.3631 11.3631 12.2797 12.2797 12.2820 12.2820 k = 0.5000 0.5000 0.3030 ( 4184 PWs) bands (ev): -31.5611 -31.5611 -31.5609 -31.5609 -31.5609 -31.5609 -13.3129 -13.3129 -12.9218 -12.9218 -12.9102 -12.9102 -12.6399 -12.6399 -12.5866 -12.5866 -12.4484 -12.4484 -12.4440 -12.4440 -12.3575 -12.3575 -12.3436 -12.3436 -8.1671 -8.1671 -7.6087 -7.6087 -7.6086 -7.6086 -5.0723 -5.0723 -5.0517 -5.0517 -5.0491 -5.0491 1.9231 1.9231 4.5961 4.5961 4.6037 4.6037 4.8715 4.8715 7.4751 7.4751 8.1986 8.1986 8.5806 8.5806 11.0637 11.0637 11.2787 11.2787 11.3185 11.3185 12.2964 12.2964 12.2989 12.2990 k = 0.5000 0.5000 0.3182 ( 4188 PWs) bands (ev): -31.5611 -31.5611 -31.5609 -31.5609 -31.5609 -31.5609 -13.3223 -13.3223 -12.9224 -12.9224 -12.9124 -12.9124 -12.6427 -12.6427 -12.5843 -12.5843 -12.4458 -12.4458 -12.4419 -12.4419 -12.3541 -12.3541 -12.3421 -12.3421 -8.1558 -8.1558 -7.6089 -7.6089 -7.6088 -7.6088 -5.0728 -5.0728 -5.0516 -5.0516 -5.0494 -5.0494 1.9237 1.9237 4.5939 4.5939 4.6023 4.6023 4.8330 4.8330 7.4920 7.4920 8.2334 8.2334 8.5642 8.5642 11.0430 11.0430 11.2340 11.2340 11.2737 11.2737 12.3125 12.3125 12.3153 12.3153 k = 0.5000 0.5000 0.3333 ( 4180 PWs) bands (ev): -31.5610 -31.5610 -31.5609 -31.5609 -31.5609 -31.5609 -13.3313 -13.3313 -12.9229 -12.9229 -12.9145 -12.9145 -12.6452 -12.6452 -12.5822 -12.5822 -12.4434 -12.4434 -12.4400 -12.4400 -12.3508 -12.3508 -12.3406 -12.3406 -8.1449 -8.1449 -7.6091 -7.6091 -7.6090 -7.6090 -5.0732 -5.0732 -5.0515 -5.0515 -5.0496 -5.0496 1.9242 1.9242 4.5917 4.5917 4.6010 4.6010 4.7965 4.7965 7.5078 7.5078 8.2678 8.2678 8.5500 8.5500 11.0235 11.0235 11.1901 11.1901 11.2292 11.2292 12.3278 12.3278 12.3309 12.3310 k = 0.5000 0.5000 0.3485 ( 4184 PWs) bands (ev): -31.5610 -31.5610 -31.5609 -31.5609 -31.5609 -31.5609 -13.3396 -13.3396 -12.9235 -12.9235 -12.9164 -12.9164 -12.6476 -12.6476 -12.5803 -12.5803 -12.4412 -12.4412 -12.4383 -12.4383 -12.3477 -12.3477 -12.3391 -12.3391 -8.1346 -8.1346 -7.6092 -7.6092 -7.6092 -7.6092 -5.0737 -5.0737 -5.0514 -5.0514 -5.0498 -5.0498 1.9246 1.9246 4.5897 4.5897 4.5997 4.5997 4.7623 4.7623 7.5225 7.5225 8.3016 8.3016 8.5380 8.5380 11.0053 11.0053 11.1474 11.1474 11.1856 11.1856 12.3423 12.3423 12.3457 12.3457 k = 0.5000 0.5000 0.3636 ( 4184 PWs) bands (ev): -31.5610 -31.5610 -31.5609 -31.5609 -31.5609 -31.5609 -13.3473 -13.3473 -12.9240 -12.9240 -12.9182 -12.9182 -12.6498 -12.6498 -12.5786 -12.5786 -12.4392 -12.4392 -12.4368 -12.4368 -12.3448 -12.3448 -12.3378 -12.3378 -8.1250 -8.1250 -7.6094 -7.6094 -7.6093 -7.6093 -5.0741 -5.0741 -5.0513 -5.0513 -5.0500 -5.0500 1.9251 1.9251 4.5877 4.5877 4.5985 4.5985 4.7306 4.7306 7.5359 7.5359 8.3343 8.3343 8.5280 8.5280 10.9884 10.9884 11.1066 11.1066 11.1435 11.1435 12.3558 12.3558 12.3595 12.3595 k = 0.5000 0.5000 0.3788 ( 4192 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3543 -13.3543 -12.9245 -12.9245 -12.9199 -12.9199 -12.6517 -12.6517 -12.5771 -12.5771 -12.4374 -12.4374 -12.4355 -12.4355 -12.3421 -12.3421 -12.3365 -12.3365 -8.1162 -8.1162 -7.6095 -7.6095 -7.6095 -7.6095 -5.0745 -5.0745 -5.0512 -5.0512 -5.0502 -5.0502 1.9255 1.9255 4.5858 4.5858 4.5973 4.5973 4.7016 4.7016 7.5479 7.5479 8.3654 8.3654 8.5200 8.5200 10.9730 10.9730 11.0682 11.0682 11.1035 11.1035 12.3682 12.3682 12.3722 12.3722 k = 0.5000 0.5000 0.3939 ( 4192 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3605 -13.3605 -12.9249 -12.9249 -12.9214 -12.9214 -12.6534 -12.6534 -12.5758 -12.5758 -12.4358 -12.4358 -12.4343 -12.4343 -12.3397 -12.3397 -12.3354 -12.3354 -8.1081 -8.1081 -7.6096 -7.6096 -7.6096 -7.6096 -5.0748 -5.0748 -5.0512 -5.0512 -5.0504 -5.0504 1.9258 1.9258 4.5841 4.5841 4.5963 4.5963 4.6757 4.6757 7.5583 7.5583 8.3945 8.3945 8.5139 8.5139 10.9591 10.9591 11.0327 11.0327 11.0664 11.0664 12.3794 12.3795 12.3837 12.3837 k = 0.5000 0.5000 0.4091 ( 4200 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3660 -13.3660 -12.9253 -12.9253 -12.9227 -12.9227 -12.6549 -12.6549 -12.5746 -12.5746 -12.4345 -12.4345 -12.4333 -12.4333 -12.3375 -12.3375 -12.3343 -12.3343 -8.1010 -8.1010 -7.6098 -7.6098 -7.6097 -7.6097 -5.0751 -5.0751 -5.0511 -5.0511 -5.0505 -5.0505 1.9262 1.9262 4.5824 4.5824 4.5953 4.5953 4.6529 4.6529 7.5673 7.5673 8.4210 8.4210 8.5094 8.5094 10.9467 10.9467 11.0006 11.0006 11.0327 11.0327 12.3893 12.3896 12.3939 12.3948 k = 0.5000 0.5000 0.4242 ( 4208 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3707 -13.3707 -12.9257 -12.9257 -12.9239 -12.9239 -12.6562 -12.6562 -12.5737 -12.5737 -12.4333 -12.4333 -12.4325 -12.4325 -12.3357 -12.3357 -12.3335 -12.3335 -8.0949 -8.0949 -7.6098 -7.6098 -7.6098 -7.6098 -5.0754 -5.0754 -5.0510 -5.0510 -5.0506 -5.0506 1.9265 1.9265 4.5807 4.5807 4.5945 4.5945 4.6335 4.6335 7.5748 7.5748 8.4445 8.4445 8.5063 8.5063 10.9358 10.9358 10.9725 10.9725 11.0032 11.0032 12.3978 12.3981 12.4025 12.4028 k = 0.5000 0.5000 0.4394 ( 4224 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3747 -13.3747 -12.9260 -12.9260 -12.9248 -12.9248 -12.6573 -12.6573 -12.5729 -12.5729 -12.4324 -12.4324 -12.4319 -12.4319 -12.3342 -12.3342 -12.3327 -12.3327 -8.0898 -8.0898 -7.6099 -7.6099 -7.6099 -7.6099 -5.0756 -5.0756 -5.0510 -5.0510 -5.0507 -5.0507 1.9267 1.9267 4.5790 4.5790 4.5938 4.5938 4.6178 4.6178 7.5808 7.5808 8.4645 8.4645 8.5043 8.5043 10.9261 10.9261 10.9488 10.9488 10.9787 10.9787 12.4052 12.4063 12.4097 12.4163 k = 0.5000 0.5000 0.4545 ( 4224 PWs) bands (ev): -31.5609 -31.5609 -31.5608 -31.5608 -31.5608 -31.5608 -13.3777 -13.3777 -12.9262 -12.9262 -12.9256 -12.9256 -12.6581 -12.6581 -12.5723 -12.5723 -12.4317 -12.4317 -12.4314 -12.4314 -12.3329 -12.3329 -12.3321 -12.3321 -8.0857 -8.0857 -7.6100 -7.6100 -7.6100 -7.6100 -5.0758 -5.0758 -5.0510 -5.0510 -5.0508 -5.0508 1.9269 1.9269 4.5772 4.5772 4.5932 4.5932 4.6060 4.6060 7.5853 7.5853 8.4806 8.4806 8.5030 8.5030 10.9180 10.9180 10.9300 10.9300 10.9597 10.9597 12.4106 12.4131 12.4153 12.4212 k = 0.5000 0.5000 0.4697 ( 4224 PWs) bands (ev): -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -13.3799 -13.3799 -12.9264 -12.9264 -12.9261 -12.9261 -12.6586 -12.6586 -12.5719 -12.5719 -12.4311 -12.4311 -12.4310 -12.4310 -12.3321 -12.3321 -12.3317 -12.3317 -8.0828 -8.0828 -7.6100 -7.6100 -7.6100 -7.6100 -5.0759 -5.0759 -5.0509 -5.0509 -5.0509 -5.0509 1.9270 1.9270 4.5753 4.5753 4.5928 4.5928 4.5981 4.5981 7.5886 7.5886 8.4923 8.4923 8.5023 8.5023 10.9113 10.9113 10.9162 10.9162 10.9466 10.9466 12.4146 12.4153 12.4180 12.4208 k = 0.5000 0.5000 0.4848 ( 4224 PWs) bands (ev): -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -13.3812 -13.3812 -12.9265 -12.9265 -12.9264 -12.9264 -12.6590 -12.6590 -12.5716 -12.5716 -12.4308 -12.4308 -12.4308 -12.4308 -12.3315 -12.3315 -12.3314 -12.3314 -8.0811 -8.0811 -7.6101 -7.6101 -7.6101 -7.6101 -5.0760 -5.0760 -5.0509 -5.0509 -5.0509 -5.0509 1.9271 1.9271 4.5736 4.5736 4.5926 4.5926 4.5938 4.5938 7.5905 7.5905 8.4995 8.4995 8.5020 8.5020 10.9067 10.9067 10.9079 10.9079 10.9392 10.9392 12.4171 12.4175 12.4186 12.4246 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -31.5608 -13.3816 -13.3816 -12.9265 -12.9265 -12.9265 -12.9265 -12.6591 -12.6591 -12.5715 -12.5715 -12.4307 -12.4307 -12.4307 -12.4307 -12.3314 -12.3314 -12.3314 -12.3314 -8.0805 -8.0805 -7.6101 -7.6101 -7.6101 -7.6101 -5.0760 -5.0760 -5.0509 -5.0509 -5.0509 -5.0509 1.9271 1.9271 4.5730 4.5730 4.5925 4.5925 4.5925 4.5925 7.5911 7.5911 8.5019 8.5019 8.5019 8.5019 10.9051 10.9051 10.9051 10.9051 10.9368 10.9368 12.4177 12.4177 12.4178 12.4239 Writing output data file Ca3PbO.save init_run : 0.31s CPU 0.58s WALL ( 1 calls) electrons : 310.92s CPU 316.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 310.91s CPU 316.25s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 254 calls) cegterg : 299.68s CPU 303.57s WALL ( 881 calls) Called by sum_band: Called by *egterg: h_psi : 128.55s CPU 130.09s WALL ( 16835 calls) s_psi : 9.26s CPU 9.11s WALL ( 16835 calls) g_psi : 0.37s CPU 0.37s WALL ( 15700 calls) cdiaghg : 138.81s CPU 141.18s WALL ( 15954 calls) cegterg:over : 10.90s CPU 11.02s WALL ( 15700 calls) cegterg:upda : 11.39s CPU 11.62s WALL ( 15700 calls) cegterg:last : 4.30s CPU 4.26s WALL ( 1729 calls) cdiaghg:chol : 7.91s CPU 7.93s WALL ( 15954 calls) cdiaghg:inve : 5.44s CPU 5.44s WALL ( 15954 calls) cdiaghg:para : 8.60s CPU 8.91s WALL ( 31908 calls) Called by h_psi: h_psi:vloc : 107.95s CPU 109.48s WALL ( 16835 calls) h_psi:vnl : 20.19s CPU 20.22s WALL ( 16835 calls) add_vuspsi : 10.76s CPU 10.76s WALL ( 16835 calls) General routines calbec : 9.40s CPU 9.41s WALL ( 16835 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.61s CPU 102.13s WALL ( 1261808 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.20s WALL ( 508 calls) Parallel routines fft_scatter : 39.44s CPU 39.48s WALL ( 1261831 calls) PWSCF : 5m25.44s CPU 5m47.55s WALL This run was terminated on: 16:39:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=