Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:49 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: ./Ca3SnO.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 59 35 10 2077 947 150 Max 60 36 11 2082 958 153 Sum 2145 1281 373 74893 34265 5449 bravais-lattice index = 14 lattice parameter (alat) = 9.1349 a.u. unit-cell volume = 762.2834 (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 = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.134935 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 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 1243 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) Sn 14.00 118.71000 Sn( 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: 74893 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 34265 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 262, 60) NL pseudopotentials 0.30 Mb ( 131, 150) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2079) G-vector shells 0.00 Mb ( 445) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 262, 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 : ./Ca3SnO.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 4.6 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 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.1 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.6 secs Computing kpt #: 13 total cpu time spent up to now is 14.5 secs Computing kpt #: 14 total cpu time spent up to now is 15.4 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.8 secs Computing kpt #: 20 total cpu time spent up to now is 20.8 secs Computing kpt #: 21 total cpu time spent up to now is 21.7 secs Computing kpt #: 22 total cpu time spent up to now is 22.7 secs Computing kpt #: 23 total cpu time spent up to now is 23.7 secs Computing kpt #: 24 total cpu time spent up to now is 24.8 secs Computing kpt #: 25 total cpu time spent up to now is 25.9 secs Computing kpt #: 26 total cpu time spent up to now is 27.1 secs Computing kpt #: 27 total cpu time spent up to now is 28.3 secs Computing kpt #: 28 total cpu time spent up to now is 30.0 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.1 secs Computing kpt #: 30 total cpu time spent up to now is 34.0 secs Computing kpt #: 31 total cpu time spent up to now is 36.0 secs Computing kpt #: 32 total cpu time spent up to now is 37.7 secs Computing kpt #: 33 total cpu time spent up to now is 39.1 secs Computing kpt #: 34 total cpu time spent up to now is 40.5 secs Computing kpt #: 35 total cpu time spent up to now is 42.0 secs Computing kpt #: 36 total cpu time spent up to now is 43.3 secs Computing kpt #: 37 total cpu time spent up to now is 44.7 secs Computing kpt #: 38 total cpu time spent up to now is 46.4 secs Computing kpt #: 39 total cpu time spent up to now is 48.0 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 51.2 secs Computing kpt #: 42 total cpu time spent up to now is 52.5 secs Computing kpt #: 43 total cpu time spent up to now is 53.9 secs Computing kpt #: 44 total cpu time spent up to now is 55.1 secs Computing kpt #: 45 total cpu time spent up to now is 56.3 secs Computing kpt #: 46 total cpu time spent up to now is 57.5 secs Computing kpt #: 47 total cpu time spent up to now is 58.7 secs Computing kpt #: 48 total cpu time spent up to now is 59.9 secs Computing kpt #: 49 total cpu time spent up to now is 61.0 secs Computing kpt #: 50 total cpu time spent up to now is 62.2 secs Computing kpt #: 51 total cpu time spent up to now is 63.3 secs Computing kpt #: 52 total cpu time spent up to now is 64.3 secs Computing kpt #: 53 total cpu time spent up to now is 65.4 secs Computing kpt #: 54 total cpu time spent up to now is 66.5 secs Computing kpt #: 55 total cpu time spent up to now is 67.6 secs Computing kpt #: 56 total cpu time spent up to now is 68.6 secs Computing kpt #: 57 total cpu time spent up to now is 69.7 secs Computing kpt #: 58 total cpu time spent up to now is 70.8 secs Computing kpt #: 59 total cpu time spent up to now is 72.0 secs Computing kpt #: 60 total cpu time spent up to now is 73.1 secs Computing kpt #: 61 total cpu time spent up to now is 74.2 secs Computing kpt #: 62 total cpu time spent up to now is 75.3 secs Computing kpt #: 63 total cpu time spent up to now is 76.4 secs Computing kpt #: 64 total cpu time spent up to now is 77.5 secs Computing kpt #: 65 total cpu time spent up to now is 78.6 secs Computing kpt #: 66 total cpu time spent up to now is 79.6 secs Computing kpt #: 67 total cpu time spent up to now is 80.6 secs Computing kpt #: 68 total cpu time spent up to now is 81.8 secs Computing kpt #: 69 total cpu time spent up to now is 82.9 secs Computing kpt #: 70 total cpu time spent up to now is 83.9 secs Computing kpt #: 71 total cpu time spent up to now is 85.0 secs Computing kpt #: 72 total cpu time spent up to now is 86.1 secs Computing kpt #: 73 total cpu time spent up to now is 87.1 secs Computing kpt #: 74 total cpu time spent up to now is 88.1 secs Computing kpt #: 75 total cpu time spent up to now is 89.2 secs Computing kpt #: 76 total cpu time spent up to now is 90.3 secs Computing kpt #: 77 total cpu time spent up to now is 91.4 secs Computing kpt #: 78 total cpu time spent up to now is 92.4 secs Computing kpt #: 79 total cpu time spent up to now is 93.4 secs Computing kpt #: 80 total cpu time spent up to now is 94.6 secs Computing kpt #: 81 total cpu time spent up to now is 95.6 secs Computing kpt #: 82 total cpu time spent up to now is 96.7 secs Computing kpt #: 83 total cpu time spent up to now is 97.9 secs Computing kpt #: 84 total cpu time spent up to now is 99.1 secs Computing kpt #: 85 total cpu time spent up to now is 100.2 secs Computing kpt #: 86 total cpu time spent up to now is 101.3 secs Computing kpt #: 87 total cpu time spent up to now is 102.3 secs Computing kpt #: 88 total cpu time spent up to now is 103.4 secs Computing kpt #: 89 total cpu time spent up to now is 104.4 secs Computing kpt #: 90 total cpu time spent up to now is 105.4 secs Computing kpt #: 91 total cpu time spent up to now is 106.4 secs Computing kpt #: 92 total cpu time spent up to now is 107.3 secs Computing kpt #: 93 total cpu time spent up to now is 108.3 secs Computing kpt #: 94 total cpu time spent up to now is 109.2 secs Computing kpt #: 95 total cpu time spent up to now is 110.2 secs Computing kpt #: 96 total cpu time spent up to now is 111.1 secs Computing kpt #: 97 total cpu time spent up to now is 112.1 secs Computing kpt #: 98 total cpu time spent up to now is 113.0 secs Computing kpt #: 99 total cpu time spent up to now is 114.0 secs Computing kpt #: 100 total cpu time spent up to now is 114.9 secs Computing kpt #: 101 total cpu time spent up to now is 115.9 secs Computing kpt #: 102 total cpu time spent up to now is 116.8 secs Computing kpt #: 103 total cpu time spent up to now is 117.7 secs Computing kpt #: 104 total cpu time spent up to now is 118.7 secs Computing kpt #: 105 total cpu time spent up to now is 119.6 secs Computing kpt #: 106 total cpu time spent up to now is 120.5 secs Computing kpt #: 107 total cpu time spent up to now is 121.4 secs Computing kpt #: 108 total cpu time spent up to now is 122.3 secs Computing kpt #: 109 total cpu time spent up to now is 123.1 secs Computing kpt #: 110 total cpu time spent up to now is 124.0 secs Computing kpt #: 111 total cpu time spent up to now is 124.9 secs Computing kpt #: 112 total cpu time spent up to now is 125.8 secs Computing kpt #: 113 total cpu time spent up to now is 126.7 secs Computing kpt #: 114 total cpu time spent up to now is 127.6 secs Computing kpt #: 115 total cpu time spent up to now is 128.5 secs Computing kpt #: 116 total cpu time spent up to now is 129.4 secs Computing kpt #: 117 total cpu time spent up to now is 130.3 secs Computing kpt #: 118 total cpu time spent up to now is 131.2 secs Computing kpt #: 119 total cpu time spent up to now is 132.1 secs Computing kpt #: 120 total cpu time spent up to now is 133.0 secs Computing kpt #: 121 total cpu time spent up to now is 133.9 secs Computing kpt #: 122 total cpu time spent up to now is 134.8 secs Computing kpt #: 123 total cpu time spent up to now is 135.7 secs Computing kpt #: 124 total cpu time spent up to now is 136.6 secs Computing kpt #: 125 total cpu time spent up to now is 137.5 secs Computing kpt #: 126 total cpu time spent up to now is 138.4 secs Computing kpt #: 127 total cpu time spent up to now is 139.3 secs Computing kpt #: 128 total cpu time spent up to now is 140.3 secs Computing kpt #: 129 total cpu time spent up to now is 141.2 secs Computing kpt #: 130 total cpu time spent up to now is 142.2 secs Computing kpt #: 131 total cpu time spent up to now is 143.1 secs Computing kpt #: 132 total cpu time spent up to now is 144.1 secs Computing kpt #: 133 total cpu time spent up to now is 145.0 secs Computing kpt #: 134 total cpu time spent up to now is 146.0 secs Computing kpt #: 135 total cpu time spent up to now is 147.0 secs Computing kpt #: 136 total cpu time spent up to now is 148.0 secs Computing kpt #: 137 total cpu time spent up to now is 149.0 secs Computing kpt #: 138 total cpu time spent up to now is 150.0 secs Computing kpt #: 139 total cpu time spent up to now is 151.1 secs Computing kpt #: 140 total cpu time spent up to now is 152.2 secs Computing kpt #: 141 total cpu time spent up to now is 153.3 secs Computing kpt #: 142 total cpu time spent up to now is 154.4 secs Computing kpt #: 143 total cpu time spent up to now is 155.6 secs Computing kpt #: 144 total cpu time spent up to now is 156.8 secs Computing kpt #: 145 total cpu time spent up to now is 158.4 secs Computing kpt #: 146 total cpu time spent up to now is 159.4 secs Computing kpt #: 147 total cpu time spent up to now is 160.5 secs Computing kpt #: 148 total cpu time spent up to now is 161.7 secs Computing kpt #: 149 total cpu time spent up to now is 162.7 secs Computing kpt #: 150 total cpu time spent up to now is 163.8 secs Computing kpt #: 151 total cpu time spent up to now is 164.8 secs Computing kpt #: 152 total cpu time spent up to now is 165.9 secs Computing kpt #: 153 total cpu time spent up to now is 166.9 secs Computing kpt #: 154 total cpu time spent up to now is 168.1 secs Computing kpt #: 155 total cpu time spent up to now is 169.2 secs Computing kpt #: 156 total cpu time spent up to now is 170.3 secs Computing kpt #: 157 total cpu time spent up to now is 171.5 secs Computing kpt #: 158 total cpu time spent up to now is 172.6 secs Computing kpt #: 159 total cpu time spent up to now is 173.9 secs Computing kpt #: 160 total cpu time spent up to now is 175.3 secs Computing kpt #: 161 total cpu time spent up to now is 176.9 secs Computing kpt #: 162 total cpu time spent up to now is 178.6 secs Computing kpt #: 163 total cpu time spent up to now is 180.3 secs Computing kpt #: 164 total cpu time spent up to now is 182.0 secs Computing kpt #: 165 total cpu time spent up to now is 183.3 secs Computing kpt #: 166 total cpu time spent up to now is 185.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.3 secs Computing kpt #: 168 total cpu time spent up to now is 189.2 secs Computing kpt #: 169 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 191.3 secs Computing kpt #: 170 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 193.5 secs Computing kpt #: 171 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 195.7 secs Computing kpt #: 172 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 197.8 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.8 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.6 secs Computing kpt #: 175 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 176 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 205.8 secs Computing kpt #: 177 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 208.0 secs Computing kpt #: 178 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 210.1 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.2 secs Computing kpt #: 181 total cpu time spent up to now is 216.0 secs Computing kpt #: 182 total cpu time spent up to now is 218.0 secs Computing kpt #: 183 total cpu time spent up to now is 219.4 secs Computing kpt #: 184 total cpu time spent up to now is 221.3 secs Computing kpt #: 185 total cpu time spent up to now is 222.9 secs Computing kpt #: 186 total cpu time spent up to now is 224.5 secs Computing kpt #: 187 total cpu time spent up to now is 226.0 secs Computing kpt #: 188 total cpu time spent up to now is 227.3 secs Computing kpt #: 189 total cpu time spent up to now is 228.7 secs Computing kpt #: 190 total cpu time spent up to now is 229.9 secs Computing kpt #: 191 total cpu time spent up to now is 231.0 secs Computing kpt #: 192 total cpu time spent up to now is 232.1 secs Computing kpt #: 193 total cpu time spent up to now is 233.2 secs Computing kpt #: 194 total cpu time spent up to now is 234.3 secs Computing kpt #: 195 total cpu time spent up to now is 235.5 secs Computing kpt #: 196 total cpu time spent up to now is 236.6 secs Computing kpt #: 197 total cpu time spent up to now is 237.7 secs Computing kpt #: 198 total cpu time spent up to now is 238.8 secs Computing kpt #: 199 total cpu time spent up to now is 239.8 secs Computing kpt #: 200 total cpu time spent up to now is 241.0 secs Computing kpt #: 201 total cpu time spent up to now is 242.1 secs Computing kpt #: 202 total cpu time spent up to now is 243.2 secs Computing kpt #: 203 total cpu time spent up to now is 244.3 secs Computing kpt #: 204 total cpu time spent up to now is 245.3 secs Computing kpt #: 205 total cpu time spent up to now is 246.4 secs Computing kpt #: 206 total cpu time spent up to now is 248.8 secs Computing kpt #: 207 total cpu time spent up to now is 249.9 secs Computing kpt #: 208 total cpu time spent up to now is 251.0 secs Computing kpt #: 209 total cpu time spent up to now is 252.3 secs Computing kpt #: 210 total cpu time spent up to now is 253.5 secs Computing kpt #: 211 total cpu time spent up to now is 254.8 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.8 secs Computing kpt #: 213 total cpu time spent up to now is 258.3 secs Computing kpt #: 214 total cpu time spent up to now is 260.0 secs Computing kpt #: 215 total cpu time spent up to now is 261.5 secs Computing kpt #: 216 total cpu time spent up to now is 263.1 secs Computing kpt #: 217 total cpu time spent up to now is 264.6 secs Computing kpt #: 218 total cpu time spent up to now is 266.1 secs Computing kpt #: 219 total cpu time spent up to now is 267.5 secs Computing kpt #: 220 total cpu time spent up to now is 268.8 secs Computing kpt #: 221 total cpu time spent up to now is 269.8 secs Computing kpt #: 222 total cpu time spent up to now is 270.9 secs Computing kpt #: 223 total cpu time spent up to now is 272.0 secs Computing kpt #: 224 total cpu time spent up to now is 273.1 secs Computing kpt #: 225 total cpu time spent up to now is 274.3 secs Computing kpt #: 226 total cpu time spent up to now is 275.6 secs Computing kpt #: 227 total cpu time spent up to now is 276.8 secs Computing kpt #: 228 total cpu time spent up to now is 278.0 secs Computing kpt #: 229 total cpu time spent up to now is 279.2 secs Computing kpt #: 230 total cpu time spent up to now is 280.3 secs Computing kpt #: 231 total cpu time spent up to now is 281.5 secs Computing kpt #: 232 total cpu time spent up to now is 282.7 secs Computing kpt #: 233 total cpu time spent up to now is 283.9 secs Computing kpt #: 234 total cpu time spent up to now is 285.1 secs Computing kpt #: 235 total cpu time spent up to now is 286.3 secs Computing kpt #: 236 total cpu time spent up to now is 287.4 secs Computing kpt #: 237 total cpu time spent up to now is 288.7 secs Computing kpt #: 238 total cpu time spent up to now is 290.2 secs Computing kpt #: 239 total cpu time spent up to now is 291.8 secs Computing kpt #: 240 total cpu time spent up to now is 293.2 secs Computing kpt #: 241 total cpu time spent up to now is 294.8 secs Computing kpt #: 242 total cpu time spent up to now is 296.3 secs Computing kpt #: 243 total cpu time spent up to now is 298.1 secs Computing kpt #: 244 total cpu time spent up to now is 300.0 secs Computing kpt #: 245 total cpu time spent up to now is 301.7 secs Computing kpt #: 246 total cpu time spent up to now is 303.1 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.1 secs Computing kpt #: 248 total cpu time spent up to now is 307.1 secs Computing kpt #: 249 c_bands: 2 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 311.4 secs Computing kpt #: 251 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 313.6 secs Computing kpt #: 252 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 315.7 secs Computing kpt #: 253 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 317.8 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.8 secs ethr = 2.00E-08, avg # of iterations = 54.6 total cpu time spent up to now is 319.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -31.9359 -31.9359 -31.8521 -31.8521 -31.8521 -31.8521 -13.2998 -13.2998 -13.2998 -13.2998 -13.1007 -13.1007 -12.9489 -12.9489 -12.8681 -12.8681 -12.8681 -12.8681 -12.7782 -12.7782 -12.6490 -12.6490 -12.6490 -12.6490 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3296 -9.3296 1.8640 1.8640 5.3552 5.3552 5.3743 5.3743 5.3743 5.3743 9.2354 9.2354 9.4095 9.4095 9.4095 9.4095 9.6379 9.6379 9.6379 9.6379 10.2388 10.2388 10.2388 10.2388 10.2426 10.2426 k = 0.0000 0.0152-0.0000 ( 4337 PWs) bands (ev): -31.9359 -31.9359 -31.8522 -31.8522 -31.8521 -31.8521 -13.2998 -13.2998 -13.2998 -13.2998 -13.1007 -13.1007 -12.9491 -12.9491 -12.8681 -12.8681 -12.8680 -12.8680 -12.7782 -12.7782 -12.6494 -12.6494 -12.6491 -12.6491 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3287 -9.3287 1.8651 1.8651 5.3544 5.3544 5.3729 5.3729 5.3741 5.3741 9.2084 9.2084 9.4005 9.4005 9.4112 9.4112 9.6306 9.6306 9.6613 9.6613 10.2405 10.2405 10.2459 10.2459 10.2505 10.2505 k = 0.0000 0.0303-0.0000 ( 4321 PWs) bands (ev): -31.9358 -31.9358 -31.8523 -31.8523 -31.8521 -31.8521 -13.2996 -13.2996 -13.2995 -13.2995 -13.1006 -13.1006 -12.9495 -12.9495 -12.8682 -12.8682 -12.8679 -12.8679 -12.7783 -12.7783 -12.6504 -12.6504 -12.6493 -12.6493 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3263 -9.3263 1.8681 1.8681 5.3512 5.3512 5.3693 5.3693 5.3734 5.3734 9.1379 9.1379 9.3795 9.3795 9.4163 9.4163 9.6100 9.6100 9.7161 9.7161 10.2431 10.2431 10.2667 10.2667 10.2758 10.2758 k = 0.0000 0.0455-0.0000 ( 4305 PWs) bands (ev): -31.9355 -31.9355 -31.8525 -31.8525 -31.8521 -31.8521 -13.2994 -13.2994 -13.2992 -13.2992 -13.1004 -13.1004 -12.9502 -12.9502 -12.8685 -12.8685 -12.8676 -12.8676 -12.7785 -12.7785 -12.6521 -12.6521 -12.6497 -12.6497 -11.6270 -11.6270 -11.6270 -11.6270 -10.5953 -10.5953 -10.5911 -10.5911 -10.5911 -10.5911 -9.3223 -9.3223 1.8732 1.8732 5.3444 5.3444 5.3649 5.3649 5.3722 5.3722 9.0416 9.0416 9.3514 9.3514 9.4248 9.4248 9.5789 9.5789 9.7820 9.7820 10.2470 10.2470 10.2995 10.2995 10.3148 10.3148 k = 0.0000 0.0606-0.0000 ( 4289 PWs) bands (ev): -31.9352 -31.9352 -31.8528 -31.8528 -31.8521 -31.8521 -13.2990 -13.2990 -13.2988 -13.2988 -13.1002 -13.1002 -12.9512 -12.9512 -12.8688 -12.8688 -12.8673 -12.8673 -12.7787 -12.7787 -12.6545 -12.6545 -12.6503 -12.6503 -11.6269 -11.6269 -11.6268 -11.6268 -10.5953 -10.5953 -10.5911 -10.5911 -10.5910 -10.5910 -9.3167 -9.3167 1.8802 1.8802 5.3326 5.3326 5.3612 5.3612 5.3706 5.3706 8.9309 8.9309 9.3176 9.3176 9.4366 9.4366 9.5404 9.5404 9.8499 9.8499 10.2524 10.2524 10.3423 10.3423 10.3644 10.3644 k = 0.0000 0.0758-0.0000 ( 4288 PWs) bands (ev): -31.9349 -31.9349 -31.8531 -31.8531 -31.8521 -31.8521 -13.2986 -13.2986 -13.2983 -13.2983 -13.1000 -13.1000 -12.9525 -12.9525 -12.8693 -12.8693 -12.8670 -12.8670 -12.7791 -12.7791 -12.6575 -12.6575 -12.6510 -12.6510 -11.6268 -11.6268 -11.6267 -11.6267 -10.5952 -10.5952 -10.5910 -10.5910 -10.5909 -10.5909 -9.3096 -9.3096 1.8893 1.8893 5.3162 5.3162 5.3581 5.3581 5.3685 5.3685 8.8115 8.8115 9.2793 9.2793 9.4517 9.4517 9.4973 9.4973 9.9163 9.9163 10.2592 10.2592 10.3931 10.3931 10.4217 10.4217 k = 0.0000 0.0909-0.0000 ( 4284 PWs) bands (ev): -31.9344 -31.9344 -31.8536 -31.8536 -31.8521 -31.8521 -13.2982 -13.2982 -13.2977 -13.2977 -13.0998 -13.0998 -12.9540 -12.9540 -12.8698 -12.8698 -12.8666 -12.8666 -12.7796 -12.7796 -12.6611 -12.6611 -12.6518 -12.6518 -11.6267 -11.6267 -11.6265 -11.6265 -10.5951 -10.5951 -10.5909 -10.5909 -10.5908 -10.5908 -9.3011 -9.3011 1.9002 1.9002 5.2958 5.2958 5.3550 5.3550 5.3660 5.3660 8.6866 8.6866 9.2379 9.2379 9.4512 9.4512 9.4703 9.4703 9.9805 9.9805 10.2676 10.2676 10.4505 10.4505 10.4850 10.4850 k = 0.0000 0.1061-0.0000 ( 4284 PWs) bands (ev): -31.9338 -31.9338 -31.8541 -31.8541 -31.8521 -31.8521 -13.2977 -13.2977 -13.2971 -13.2971 -13.0996 -13.0996 -12.9558 -12.9558 -12.8705 -12.8705 -12.8661 -12.8661 -12.7801 -12.7801 -12.6653 -12.6653 -12.6528 -12.6528 -11.6265 -11.6265 -11.6263 -11.6263 -10.5949 -10.5949 -10.5908 -10.5908 -10.5906 -10.5906 -9.2912 -9.2912 1.9130 1.9130 5.2721 5.2721 5.3519 5.3519 5.3631 5.3631 8.5582 8.5582 9.1944 9.1944 9.4040 9.4040 9.4918 9.4918 10.0423 10.0423 10.2773 10.2773 10.5131 10.5131 10.5527 10.5527 k = 0.0000 0.1212-0.0000 ( 4272 PWs) bands (ev): -31.9332 -31.9332 -31.8547 -31.8547 -31.8521 -31.8521 -13.2971 -13.2971 -13.2963 -13.2963 -13.0994 -13.0994 -12.9577 -12.9577 -12.8712 -12.8712 -12.8656 -12.8656 -12.7808 -12.7808 -12.6700 -12.6700 -12.6539 -12.6539 -11.6263 -11.6263 -11.6260 -11.6260 -10.5948 -10.5948 -10.5906 -10.5906 -10.5904 -10.5904 -9.2800 -9.2800 1.9275 1.9275 5.2455 5.2455 5.3485 5.3485 5.3599 5.3599 8.4276 8.4276 9.1499 9.1499 9.3563 9.3563 9.5165 9.5165 10.1025 10.1025 10.2885 10.2885 10.5800 10.5800 10.6240 10.6240 k = 0.0000 0.1364-0.0000 ( 4272 PWs) bands (ev): -31.9325 -31.9325 -31.8554 -31.8554 -31.8521 -31.8521 -13.2965 -13.2965 -13.2954 -13.2954 -13.0993 -13.0993 -12.9598 -12.9598 -12.8721 -12.8721 -12.8649 -12.8649 -12.7815 -12.7815 -12.6751 -12.6751 -12.6551 -12.6551 -11.6261 -11.6261 -11.6257 -11.6257 -10.5946 -10.5946 -10.5905 -10.5905 -10.5902 -10.5902 -9.2678 -9.2678 1.9438 1.9438 5.2163 5.2163 5.3449 5.3449 5.3563 5.3563 8.2961 8.2961 9.1050 9.1050 9.3087 9.3087 9.5444 9.5444 10.1614 10.1614 10.3011 10.3011 10.6505 10.6505 10.6980 10.6980 k = 0.0000 0.1515-0.0000 ( 4276 PWs) bands (ev): -31.9317 -31.9317 -31.8561 -31.8561 -31.8521 -31.8521 -13.2958 -13.2958 -13.2944 -13.2944 -13.0993 -13.0993 -12.9621 -12.9621 -12.8731 -12.8731 -12.8642 -12.8642 -12.7823 -12.7823 -12.6806 -12.6806 -12.6565 -12.6565 -11.6259 -11.6259 -11.6254 -11.6254 -10.5945 -10.5945 -10.5903 -10.5903 -10.5900 -10.5900 -9.2545 -9.2545 1.9616 1.9616 5.1849 5.1849 5.3411 5.3411 5.3524 5.3524 8.1644 8.1644 9.0603 9.0603 9.2618 9.2618 9.5752 9.5752 10.2197 10.2197 10.3149 10.3149 10.7241 10.7241 10.7744 10.7744 k = 0.0000 0.1667-0.0000 ( 4284 PWs) bands (ev): -31.9309 -31.9309 -31.8569 -31.8569 -31.8520 -31.8520 -13.2950 -13.2950 -13.2933 -13.2933 -13.0994 -13.0994 -12.9643 -12.9643 -12.8741 -12.8741 -12.8634 -12.8634 -12.7832 -12.7832 -12.6865 -12.6865 -12.6580 -12.6580 -11.6256 -11.6256 -11.6251 -11.6251 -10.5943 -10.5943 -10.5901 -10.5901 -10.5897 -10.5897 -9.2403 -9.2403 1.9809 1.9809 5.1519 5.1519 5.3370 5.3370 5.3483 5.3483 8.0333 8.0333 9.0161 9.0161 9.2159 9.2159 9.6089 9.6089 10.2780 10.2780 10.3301 10.3301 10.8002 10.8002 10.8527 10.8527 k = 0.0000 0.1818-0.0000 ( 4280 PWs) bands (ev): -31.9300 -31.9300 -31.8578 -31.8578 -31.8520 -31.8520 -13.2943 -13.2943 -13.2921 -13.2921 -13.0995 -13.0995 -12.9666 -12.9666 -12.8753 -12.8753 -12.8626 -12.8626 -12.7841 -12.7841 -12.6925 -12.6925 -12.6595 -12.6595 -11.6254 -11.6254 -11.6248 -11.6248 -10.5941 -10.5941 -10.5899 -10.5899 -10.5895 -10.5895 -9.2253 -9.2253 2.0016 2.0016 5.1174 5.1174 5.3328 5.3328 5.3439 5.3439 7.9033 7.9033 8.9729 8.9729 9.1712 9.1712 9.6454 9.6454 10.3366 10.3366 10.3464 10.3464 10.8787 10.8787 10.9327 10.9327 k = 0.0000 0.1970-0.0000 ( 4272 PWs) bands (ev): -31.9290 -31.9290 -31.8588 -31.8588 -31.8520 -31.8520 -13.2935 -13.2935 -13.2908 -13.2908 -13.0999 -13.0999 -12.9688 -12.9688 -12.8765 -12.8765 -12.8616 -12.8616 -12.7851 -12.7851 -12.6988 -12.6988 -12.6611 -12.6611 -11.6251 -11.6251 -11.6244 -11.6244 -10.5939 -10.5939 -10.5897 -10.5897 -10.5892 -10.5892 -9.2097 -9.2097 2.0236 2.0236 5.0821 5.0821 5.3283 5.3283 5.3394 5.3394 7.7751 7.7751 8.9308 8.9308 9.1280 9.1280 9.6845 9.6845 10.3639 10.3639 10.3961 10.3961 10.9591 10.9591 11.0140 11.0140 k = 0.0000 0.2121-0.0000 ( 4260 PWs) bands (ev): -31.9280 -31.9280 -31.8598 -31.8598 -31.8520 -31.8520 -13.2926 -13.2926 -13.2894 -13.2894 -13.1005 -13.1005 -12.9708 -12.9708 -12.8778 -12.8778 -12.8605 -12.8605 -12.7862 -12.7862 -12.7052 -12.7052 -12.6627 -12.6627 -11.6248 -11.6248 -11.6240 -11.6240 -10.5937 -10.5937 -10.5895 -10.5895 -10.5889 -10.5889 -9.1936 -9.1936 2.0466 2.0466 5.0463 5.0463 5.3238 5.3238 5.3347 5.3347 7.6490 7.6490 8.8901 8.8901 9.0864 9.0864 9.7261 9.7261 10.3827 10.3827 10.4566 10.4566 11.0411 11.0411 11.0965 11.0965 k = 0.0000 0.2273-0.0000 ( 4268 PWs) bands (ev): -31.9269 -31.9269 -31.8608 -31.8608 -31.8520 -31.8520 -13.2918 -13.2918 -13.2879 -13.2879 -13.1015 -13.1015 -12.9727 -12.9727 -12.8793 -12.8793 -12.8594 -12.8594 -12.7874 -12.7874 -12.7118 -12.7118 -12.6645 -12.6645 -11.6245 -11.6245 -11.6236 -11.6236 -10.5935 -10.5935 -10.5893 -10.5893 -10.5887 -10.5887 -9.1772 -9.1772 2.0705 2.0705 5.0103 5.0103 5.3192 5.3192 5.3299 5.3299 7.5256 7.5256 8.8509 8.8509 9.0464 9.0464 9.7700 9.7700 10.4022 10.4022 10.5184 10.5184 11.1244 11.1244 11.1799 11.1799 k = 0.0000 0.2424-0.0000 ( 4260 PWs) bands (ev): -31.9257 -31.9257 -31.8619 -31.8619 -31.8520 -31.8520 -13.2909 -13.2909 -13.2864 -13.2864 -13.1026 -13.1026 -12.9742 -12.9742 -12.8809 -12.8809 -12.8582 -12.8582 -12.7887 -12.7887 -12.7182 -12.7182 -12.6662 -12.6662 -11.6243 -11.6243 -11.6232 -11.6232 -10.5933 -10.5933 -10.5890 -10.5890 -10.5884 -10.5884 -9.1606 -9.1606 2.0951 2.0951 4.9746 4.9746 5.3145 5.3145 5.3251 5.3251 7.4052 7.4052 8.8134 8.8134 9.0083 9.0083 9.8159 9.8159 10.4226 10.4226 10.5817 10.5817 11.2091 11.2091 11.2642 11.2642 k = 0.0000 0.2576-0.0000 ( 4264 PWs) bands (ev): -31.9245 -31.9245 -31.8631 -31.8631 -31.8520 -31.8520 -13.2901 -13.2901 -13.2848 -13.2848 -13.1041 -13.1041 -12.9755 -12.9755 -12.8826 -12.8826 -12.8570 -12.8570 -12.7900 -12.7900 -12.7247 -12.7247 -12.6680 -12.6680 -11.6240 -11.6240 -11.6229 -11.6229 -10.5931 -10.5931 -10.5888 -10.5888 -10.5881 -10.5881 -9.1439 -9.1439 2.1203 2.1203 4.9396 4.9396 5.3098 5.3098 5.3203 5.3203 7.2883 7.2883 8.7776 8.7776 8.9721 8.9721 9.8637 9.8637 10.4436 10.4436 10.6465 10.6465 11.2946 11.2946 11.3491 11.3492 k = 0.0000 0.2727-0.0000 ( 4264 PWs) bands (ev): -31.9233 -31.9233 -31.8643 -31.8643 -31.8520 -31.8520 -13.2892 -13.2892 -13.2831 -13.2831 -13.1060 -13.1060 -12.9763 -12.9763 -12.8844 -12.8844 -12.8556 -12.8556 -12.7914 -12.7914 -12.7310 -12.7310 -12.6698 -12.6698 -11.6237 -11.6237 -11.6225 -11.6225 -10.5930 -10.5930 -10.5886 -10.5886 -10.5878 -10.5878 -9.1274 -9.1274 2.1458 2.1458 4.9055 4.9055 5.3052 5.3052 5.3155 5.3155 7.1752 7.1752 8.7437 8.7437 8.9378 8.9378 9.9130 9.9130 10.4653 10.4653 10.7131 10.7131 11.3811 11.3811 11.4346 11.4346 k = 0.0000 0.2879-0.0000 ( 4264 PWs) bands (ev): -31.9220 -31.9220 -31.8655 -31.8655 -31.8520 -31.8520 -13.2883 -13.2883 -13.2814 -13.2814 -13.1082 -13.1082 -12.9768 -12.9768 -12.8864 -12.8864 -12.8541 -12.8541 -12.7929 -12.7929 -12.7372 -12.7372 -12.6716 -12.6716 -11.6234 -11.6234 -11.6221 -11.6221 -10.5928 -10.5928 -10.5883 -10.5883 -10.5875 -10.5875 -9.1111 -9.1111 2.1714 2.1714 4.8728 4.8728 5.3006 5.3006 5.3108 5.3108 7.0664 7.0664 8.7118 8.7118 8.9055 8.9055 9.9635 9.9635 10.4874 10.4874 10.7814 10.7814 11.4681 11.4681 11.5205 11.5205 k = 0.0000 0.3030-0.0000 ( 4264 PWs) bands (ev): -31.9207 -31.9207 -31.8668 -31.8668 -31.8520 -31.8520 -13.2875 -13.2875 -13.2796 -13.2796 -13.1107 -13.1107 -12.9768 -12.9768 -12.8885 -12.8885 -12.8526 -12.8526 -12.7945 -12.7945 -12.7432 -12.7432 -12.6733 -12.6733 -11.6231 -11.6231 -11.6217 -11.6217 -10.5926 -10.5926 -10.5881 -10.5881 -10.5873 -10.5873 -9.0952 -9.0952 2.1968 2.1968 4.8416 4.8416 5.2962 5.2962 5.3062 5.3062 6.9621 6.9621 8.6818 8.6818 8.8753 8.8753 10.0149 10.0149 10.5097 10.5097 10.8514 10.8514 11.5556 11.5556 11.6067 11.6067 k = 0.0000 0.3182-0.0000 ( 4272 PWs) bands (ev): -31.9194 -31.9194 -31.8681 -31.8681 -31.8519 -31.8519 -13.2867 -13.2867 -13.2777 -13.2777 -13.1135 -13.1135 -12.9763 -12.9763 -12.8907 -12.8907 -12.8510 -12.8510 -12.7961 -12.7961 -12.7489 -12.7489 -12.6750 -12.6750 -11.6229 -11.6229 -11.6214 -11.6214 -10.5924 -10.5924 -10.5878 -10.5878 -10.5870 -10.5870 -9.0799 -9.0799 2.2218 2.2218 4.8124 4.8124 5.2919 5.2919 5.3017 5.3017 6.8629 6.8629 8.6538 8.6538 8.8472 8.8472 10.0667 10.0667 10.5321 10.5321 10.9231 10.9231 11.6434 11.6434 11.6929 11.6929 k = 0.0000 0.3333-0.0000 ( 4284 PWs) bands (ev): -31.9180 -31.9180 -31.8694 -31.8694 -31.8519 -31.8519 -13.2860 -13.2860 -13.2759 -13.2759 -13.1165 -13.1165 -12.9755 -12.9755 -12.8931 -12.8931 -12.8494 -12.8494 -12.7977 -12.7977 -12.7543 -12.7543 -12.6766 -12.6766 -11.6226 -11.6226 -11.6210 -11.6210 -10.5923 -10.5923 -10.5876 -10.5876 -10.5867 -10.5867 -9.0652 -9.0652 2.2462 2.2462 4.7852 4.7852 5.2878 5.2878 5.2975 5.2975 6.7692 6.7692 8.6280 8.6280 8.8212 8.8212 10.1185 10.1185 10.5543 10.5543 10.9965 10.9965 11.7314 11.7314 11.7792 11.7792 k = 0.0000 0.3485-0.0000 ( 4272 PWs) bands (ev): -31.9167 -31.9167 -31.8707 -31.8707 -31.8519 -31.8519 -13.2852 -13.2852 -13.2740 -13.2740 -13.1197 -13.1197 -12.9741 -12.9741 -12.8957 -12.8957 -12.8477 -12.8477 -12.7994 -12.7994 -12.7593 -12.7593 -12.6782 -12.6782 -11.6224 -11.6224 -11.6207 -11.6207 -10.5921 -10.5921 -10.5874 -10.5874 -10.5865 -10.5865 -9.0514 -9.0514 2.2696 2.2696 4.7604 4.7604 5.2839 5.2839 5.2935 5.2935 6.6814 6.6814 8.6043 8.6043 8.7974 8.7974 10.1697 10.1697 10.5761 10.5761 11.0716 11.0716 11.8195 11.8195 11.8653 11.8653 k = 0.0000 0.3636-0.0000 ( 4264 PWs) bands (ev): -31.9154 -31.9154 -31.8720 -31.8720 -31.8519 -31.8519 -13.2845 -13.2845 -13.2721 -13.2721 -13.1229 -13.1229 -12.9724 -12.9724 -12.8983 -12.8983 -12.8459 -12.8459 -12.8011 -12.8011 -12.7640 -12.7640 -12.6796 -12.6796 -11.6222 -11.6222 -11.6204 -11.6204 -10.5920 -10.5920 -10.5872 -10.5872 -10.5863 -10.5863 -9.0385 -9.0385 2.2918 2.2918 4.7380 4.7380 5.2803 5.2803 5.2898 5.2898 6.5999 6.5999 8.5828 8.5828 8.7758 8.7758 10.2197 10.2197 10.5973 10.5973 11.1482 11.1482 11.9075 11.9075 11.9512 11.9512 k = 0.0000 0.3788-0.0000 ( 4272 PWs) bands (ev): -31.9141 -31.9141 -31.8732 -31.8732 -31.8519 -31.8519 -13.2838 -13.2838 -13.2703 -13.2703 -13.1262 -13.1262 -12.9704 -12.9704 -12.9011 -12.9011 -12.8441 -12.8441 -12.8029 -12.8029 -12.7682 -12.7682 -12.6810 -12.6810 -11.6220 -11.6220 -11.6201 -11.6201 -10.5919 -10.5919 -10.5870 -10.5870 -10.5861 -10.5861 -9.0266 -9.0266 2.3125 2.3125 4.7181 4.7181 5.2770 5.2770 5.2864 5.2864 6.5251 6.5251 8.5634 8.5634 8.7564 8.7564 10.2677 10.2677 10.6173 10.6173 11.2261 11.2261 11.9951 11.9951 12.0366 12.0366 k = 0.0000 0.3939-0.0000 ( 4268 PWs) bands (ev): -31.9129 -31.9129 -31.8744 -31.8744 -31.8519 -31.8519 -13.2833 -13.2833 -13.2686 -13.2686 -13.1293 -13.1293 -12.9681 -12.9681 -12.9040 -12.9040 -12.8424 -12.8424 -12.8047 -12.8047 -12.7719 -12.7719 -12.6821 -12.6821 -11.6218 -11.6218 -11.6199 -11.6199 -10.5917 -10.5917 -10.5868 -10.5868 -10.5859 -10.5859 -9.0158 -9.0158 2.3316 2.3316 4.7007 4.7007 5.2741 5.2741 5.2833 5.2833 6.4577 6.4577 8.5463 8.5463 8.7392 8.7392 10.3132 10.3132 10.6362 10.6362 11.3051 11.3051 12.0822 12.0822 12.1214 12.1214 k = 0.0000 0.4091-0.0000 ( 4268 PWs) bands (ev): -31.9117 -31.9117 -31.8756 -31.8756 -31.8519 -31.8519 -13.2827 -13.2827 -13.2670 -13.2670 -13.1323 -13.1323 -12.9657 -12.9657 -12.9069 -12.9069 -12.8405 -12.8405 -12.8064 -12.8064 -12.7753 -12.7753 -12.6832 -12.6832 -11.6216 -11.6216 -11.6196 -11.6196 -10.5916 -10.5916 -10.5867 -10.5867 -10.5857 -10.5857 -9.0063 -9.0063 2.3486 2.3486 4.6859 4.6859 5.2714 5.2714 5.2806 5.2806 6.3980 6.3980 8.5314 8.5314 8.7243 8.7243 10.3551 10.3551 10.6535 10.6535 11.3849 11.3849 12.1686 12.1686 12.2052 12.2052 k = 0.0000 0.4242-0.0000 ( 4260 PWs) bands (ev): -31.9107 -31.9107 -31.8766 -31.8766 -31.8519 -31.8519 -13.2823 -13.2823 -13.2655 -13.2655 -13.1350 -13.1350 -12.9632 -12.9632 -12.9097 -12.9097 -12.8388 -12.8388 -12.8080 -12.8080 -12.7781 -12.7781 -12.6841 -12.6841 -11.6215 -11.6215 -11.6194 -11.6194 -10.5916 -10.5916 -10.5866 -10.5866 -10.5856 -10.5856 -8.9981 -8.9981 2.3635 2.3635 4.6736 4.6736 5.2691 5.2691 5.2782 5.2782 6.3465 6.3465 8.5188 8.5188 8.7117 8.7117 10.3927 10.3927 10.6688 10.6688 11.4650 11.4650 12.2137 12.2138 12.2538 12.2538 k = 0.0000 0.4394-0.0000 ( 4264 PWs) bands (ev): -31.9097 -31.9097 -31.8775 -31.8775 -31.8519 -31.8519 -13.2819 -13.2819 -13.2642 -13.2642 -13.1374 -13.1374 -12.9607 -12.9607 -12.9125 -12.9125 -12.8373 -12.8373 -12.8096 -12.8096 -12.7804 -12.7804 -12.6849 -12.6849 -11.6213 -11.6213 -11.6193 -11.6193 -10.5915 -10.5915 -10.5865 -10.5865 -10.5854 -10.5854 -8.9913 -8.9913 2.3759 2.3759 4.6637 4.6637 5.2673 5.2673 5.2763 5.2763 6.3037 6.3037 8.5084 8.5084 8.7013 8.7013 10.4250 10.4250 10.6820 10.6820 11.5445 11.5445 12.1934 12.1934 12.3001 12.3001 k = 0.0000 0.4545-0.0000 ( 4264 PWs) bands (ev): -31.9090 -31.9090 -31.8783 -31.8783 -31.8519 -31.8519 -13.2817 -13.2817 -13.2631 -13.2631 -13.1393 -13.1393 -12.9584 -12.9584 -12.9149 -12.9149 -12.8359 -12.8359 -12.8110 -12.8110 -12.7822 -12.7822 -12.6855 -12.6855 -11.6213 -11.6213 -11.6191 -11.6191 -10.5914 -10.5914 -10.5864 -10.5864 -10.5854 -10.5854 -8.9860 -8.9860 2.3858 2.3858 4.6562 4.6562 5.2658 5.2658 5.2747 5.2747 6.2699 6.2699 8.5004 8.5004 8.6933 8.6933 10.4512 10.4512 10.6925 10.6925 11.6219 11.6219 12.1772 12.1772 12.2251 12.2251 k = 0.0000 0.4697-0.0000 ( 4264 PWs) bands (ev): -31.9084 -31.9084 -31.8789 -31.8789 -31.8519 -31.8519 -13.2814 -13.2814 -13.2624 -13.2624 -13.1408 -13.1408 -12.9565 -12.9565 -12.9169 -12.9169 -12.8347 -12.8347 -12.8121 -12.8121 -12.7835 -12.7835 -12.6860 -12.6860 -11.6212 -11.6212 -11.6191 -11.6191 -10.5914 -10.5914 -10.5863 -10.5863 -10.5853 -10.5853 -8.9821 -8.9821 2.3929 2.3929 4.6508 4.6508 5.2647 5.2647 5.2736 5.2736 6.2455 6.2455 8.4946 8.4946 8.6875 8.6875 10.4705 10.4705 10.7002 10.7002 11.6935 11.6935 12.1538 12.1538 12.1654 12.1654 k = 0.0000 0.4848-0.0000 ( 4276 PWs) bands (ev): -31.9080 -31.9080 -31.8792 -31.8792 -31.8519 -31.8519 -13.2814 -13.2814 -13.2619 -13.2619 -13.1417 -13.1417 -12.9553 -12.9553 -12.9183 -12.9183 -12.8340 -12.8340 -12.8129 -12.8129 -12.7842 -12.7842 -12.6862 -12.6862 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9798 -8.9798 2.3973 2.3973 4.6477 4.6477 5.2641 5.2641 5.2730 5.2730 6.2308 6.2308 8.4911 8.4911 8.6840 8.6840 10.4824 10.4824 10.7049 10.7049 11.7508 11.7508 12.0966 12.0966 12.1581 12.1581 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.9079 -31.9079 -31.8793 -31.8793 -31.8519 -31.8519 -13.2814 -13.2814 -13.2618 -13.2618 -13.1420 -13.1420 -12.9549 -12.9549 -12.9188 -12.9188 -12.8339 -12.8339 -12.8131 -12.8131 -12.7845 -12.7845 -12.6863 -12.6863 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9790 -8.9790 2.3987 2.3987 4.6467 4.6467 5.2639 5.2639 5.2727 5.2727 6.2258 6.2258 8.4899 8.4899 8.6828 8.6828 10.4864 10.4864 10.7065 10.7065 11.7748 11.7748 12.0726 12.0726 12.1557 12.1557 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.9079 -31.9079 -31.8793 -31.8793 -31.8519 -31.8519 -13.2814 -13.2814 -13.2618 -13.2618 -13.1420 -13.1420 -12.9549 -12.9549 -12.9188 -12.9188 -12.8339 -12.8339 -12.8131 -12.8131 -12.7845 -12.7845 -12.6863 -12.6863 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9790 -8.9790 2.3987 2.3987 4.6467 4.6467 5.2639 5.2639 5.2727 5.2727 6.2258 6.2258 8.4899 8.4899 8.6828 8.6828 10.4864 10.4864 10.7065 10.7065 11.7748 11.7748 12.0726 12.0726 12.1557 12.1557 k = 0.0152 0.5000-0.0000 ( 4282 PWs) bands (ev): -31.9079 -31.9079 -31.8793 -31.8793 -31.8519 -31.8519 -13.2823 -13.2823 -13.2612 -13.2612 -13.1422 -13.1422 -12.9555 -12.9555 -12.9179 -12.9179 -12.8344 -12.8344 -12.8127 -12.8127 -12.7843 -12.7843 -12.6863 -12.6863 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9784 -8.9784 2.3995 2.3995 4.6460 4.6460 5.2619 5.2619 5.2712 5.2712 6.2284 6.2284 8.4874 8.4874 8.6802 8.6802 10.4892 10.4892 10.7079 10.7079 11.7749 11.7749 12.0760 12.0760 12.1511 12.1511 k = 0.0303 0.5000-0.0000 ( 4270 PWs) bands (ev): -31.9078 -31.9078 -31.8793 -31.8793 -31.8520 -31.8520 -13.2850 -13.2850 -13.2596 -13.2596 -13.1428 -13.1428 -12.9572 -12.9572 -12.9153 -12.9153 -12.8358 -12.8358 -12.8118 -12.8118 -12.7836 -12.7836 -12.6865 -12.6865 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9764 -8.9764 2.4017 2.4017 4.6439 4.6439 5.2541 5.2541 5.2686 5.2686 6.2359 6.2359 8.4796 8.4796 8.6727 8.6727 10.4975 10.4975 10.7119 10.7119 11.7750 11.7750 12.0861 12.0861 12.1379 12.1379 k = 0.0455 0.5000-0.0000 ( 4276 PWs) bands (ev): -31.9076 -31.9076 -31.8793 -31.8793 -31.8521 -31.8521 -13.2889 -13.2889 -13.2577 -13.2577 -13.1438 -13.1438 -12.9596 -12.9596 -12.9115 -12.9115 -12.8379 -12.8379 -12.8105 -12.8105 -12.7824 -12.7824 -12.6867 -12.6867 -11.6211 -11.6211 -11.6190 -11.6190 -10.5913 -10.5913 -10.5863 -10.5863 -10.5852 -10.5852 -8.9730 -8.9730 2.4055 2.4055 4.6405 4.6405 5.2394 5.2394 5.2664 5.2664 6.2482 6.2482 8.4658 8.4658 8.6615 8.6615 10.5109 10.5109 10.7186 10.7186 11.7752 11.7752 12.1027 12.1027 12.1173 12.1173 k = 0.0606 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9074 -31.9074 -31.8793 -31.8793 -31.8524 -31.8524 -13.2938 -13.2938 -13.2556 -13.2556 -13.1451 -13.1451 -12.9623 -12.9623 -12.9070 -12.9070 -12.8404 -12.8404 -12.8092 -12.8092 -12.7808 -12.7808 -12.6870 -12.6870 -11.6210 -11.6210 -11.6190 -11.6190 -10.5913 -10.5913 -10.5863 -10.5863 -10.5852 -10.5852 -8.9684 -8.9684 2.4108 2.4108 4.6358 4.6358 5.2187 5.2187 5.2641 5.2641 6.2648 6.2648 8.4450 8.4450 8.6483 8.6483 10.5293 10.5293 10.7279 10.7279 11.7753 11.7753 12.0910 12.0910 12.1252 12.1252 k = 0.0758 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9071 -31.9071 -31.8793 -31.8793 -31.8526 -31.8526 -13.2993 -13.2993 -13.2536 -13.2536 -13.1468 -13.1468 -12.9650 -12.9650 -12.9021 -12.9021 -12.8431 -12.8431 -12.8081 -12.8081 -12.7787 -12.7787 -12.6873 -12.6873 -11.6210 -11.6210 -11.6191 -11.6191 -10.5913 -10.5913 -10.5863 -10.5863 -10.5852 -10.5852 -8.9626 -8.9626 2.4175 2.4175 4.6297 4.6297 5.1927 5.1927 5.2614 5.2614 6.2855 6.2855 8.4164 8.4164 8.6347 8.6347 10.5519 10.5519 10.7399 10.7399 11.7754 11.7754 12.0608 12.0608 12.1532 12.1532 k = 0.0909 0.5000-0.0000 ( 4270 PWs) bands (ev): -31.9067 -31.9067 -31.8793 -31.8793 -31.8530 -31.8530 -13.3055 -13.3055 -13.2516 -13.2516 -13.1487 -13.1487 -12.9676 -12.9676 -12.8969 -12.8969 -12.8459 -12.8459 -12.8070 -12.8070 -12.7762 -12.7762 -12.6876 -12.6876 -11.6209 -11.6209 -11.6191 -11.6191 -10.5912 -10.5912 -10.5863 -10.5863 -10.5852 -10.5852 -8.9555 -8.9555 2.4257 2.4257 4.6224 4.6224 5.1622 5.1622 5.2582 5.2582 6.3097 6.3097 8.3799 8.3799 8.6219 8.6219 10.5784 10.5784 10.7545 10.7545 11.7752 11.7752 12.0280 12.0280 12.1859 12.1859 k = 0.1061 0.5000-0.0000 ( 4266 PWs) bands (ev): -31.9063 -31.9063 -31.8793 -31.8793 -31.8534 -31.8534 -13.3123 -13.3123 -13.2497 -13.2497 -13.1510 -13.1510 -12.9698 -12.9698 -12.8918 -12.8918 -12.8486 -12.8486 -12.8062 -12.8062 -12.7734 -12.7734 -12.6879 -12.6879 -11.6209 -11.6209 -11.6191 -11.6191 -10.5912 -10.5912 -10.5863 -10.5863 -10.5852 -10.5852 -8.9473 -8.9473 2.4352 2.4352 4.6138 4.6138 5.1279 5.1279 5.2546 5.2546 6.3371 6.3371 8.3360 8.3360 8.6106 8.6106 10.6082 10.6082 10.7716 10.7716 11.7746 11.7746 11.9938 11.9938 12.2225 12.2225 k = 0.1212 0.5000-0.0000 ( 4270 PWs) bands (ev): -31.9058 -31.9058 -31.8793 -31.8793 -31.8538 -31.8538 -13.3196 -13.3196 -13.2479 -13.2479 -13.1534 -13.1534 -12.9717 -12.9717 -12.8869 -12.8869 -12.8511 -12.8511 -12.8057 -12.8057 -12.7704 -12.7704 -12.6883 -12.6883 -11.6208 -11.6208 -11.6192 -11.6192 -10.5911 -10.5911 -10.5863 -10.5863 -10.5851 -10.5851 -8.9381 -8.9381 2.4461 2.4461 4.6039 4.6039 5.0902 5.0902 5.2506 5.2506 6.3672 6.3672 8.2858 8.2858 8.6006 8.6006 10.6409 10.6409 10.7910 10.7910 11.7733 11.7733 11.9589 11.9589 12.2513 12.2513 k = 0.1364 0.5000-0.0000 ( 4270 PWs) bands (ev): -31.9053 -31.9053 -31.8793 -31.8793 -31.8543 -31.8543 -13.3273 -13.3273 -13.2462 -13.2462 -13.1560 -13.1560 -12.9733 -12.9733 -12.8823 -12.8823 -12.8533 -12.8533 -12.8053 -12.8053 -12.7672 -12.7672 -12.6887 -12.6887 -11.6207 -11.6207 -11.6192 -11.6192 -10.5911 -10.5911 -10.5863 -10.5863 -10.5851 -10.5851 -8.9279 -8.9279 2.4583 2.4583 4.5930 4.5930 5.0498 5.0498 5.2462 5.2462 6.3997 6.3997 8.2305 8.2305 8.5916 8.5916 10.6762 10.6762 10.8126 10.8126 11.7712 11.7712 11.9240 11.9240 12.1904 12.1904 k = 0.1515 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9047 -31.9047 -31.8793 -31.8793 -31.8549 -31.8549 -13.3354 -13.3354 -13.2447 -13.2447 -13.1588 -13.1588 -12.9745 -12.9745 -12.8785 -12.8785 -12.8549 -12.8549 -12.8050 -12.8050 -12.7639 -12.7639 -12.6891 -12.6891 -11.6207 -11.6207 -11.6192 -11.6192 -10.5910 -10.5910 -10.5863 -10.5863 -10.5851 -10.5851 -8.9168 -8.9168 2.4718 2.4718 4.5809 4.5809 5.0072 5.0072 5.2414 5.2414 6.4342 6.4342 8.1713 8.1713 8.5835 8.5835 10.7137 10.7137 10.8365 10.8365 11.7677 11.7677 11.8895 11.8895 12.1293 12.1293 k = 0.1667 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9040 -31.9040 -31.8793 -31.8793 -31.8555 -31.8555 -13.3438 -13.3438 -13.2432 -13.2432 -13.1617 -13.1617 -12.9754 -12.9754 -12.8757 -12.8757 -12.8555 -12.8555 -12.8050 -12.8050 -12.7605 -12.7605 -12.6894 -12.6894 -11.6206 -11.6206 -11.6192 -11.6192 -10.5910 -10.5910 -10.5863 -10.5863 -10.5850 -10.5850 -8.9050 -8.9050 2.4864 2.4864 4.5677 4.5677 4.9628 4.9628 5.2364 5.2364 6.4706 6.4706 8.1095 8.1095 8.5760 8.5760 10.7533 10.7533 10.8624 10.8624 11.7623 11.7623 11.8559 11.8559 12.0690 12.0690 k = 0.1818 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9033 -31.9033 -31.8793 -31.8793 -31.8562 -31.8562 -13.3525 -13.3525 -13.2417 -13.2417 -13.1645 -13.1645 -12.9759 -12.9759 -12.8743 -12.8743 -12.8547 -12.8547 -12.8050 -12.8050 -12.7572 -12.7572 -12.6897 -12.6897 -11.6206 -11.6206 -11.6192 -11.6192 -10.5910 -10.5910 -10.5862 -10.5862 -10.5850 -10.5850 -8.8924 -8.8924 2.5021 2.5021 4.5536 4.5536 4.9172 4.9172 5.2310 5.2310 6.5085 6.5085 8.0460 8.0460 8.5688 8.5688 10.7947 10.7947 10.8902 10.8902 11.7540 11.7540 11.8232 11.8232 12.0102 12.0102 k = 0.1970 0.5000-0.0000 ( 4270 PWs) bands (ev): -31.9025 -31.9025 -31.8792 -31.8792 -31.8569 -31.8569 -13.3614 -13.3614 -13.2404 -13.2404 -13.1674 -13.1674 -12.9762 -12.9762 -12.8744 -12.8744 -12.8528 -12.8528 -12.8052 -12.8052 -12.7538 -12.7538 -12.6899 -12.6899 -11.6205 -11.6205 -11.6192 -11.6192 -10.5910 -10.5910 -10.5862 -10.5862 -10.5850 -10.5850 -8.8793 -8.8793 2.5188 2.5188 4.5385 4.5385 4.8708 4.8708 5.2255 5.2255 6.5477 6.5477 7.9815 7.9815 8.5619 8.5619 10.8378 10.8378 10.9198 10.9198 11.7412 11.7412 11.7918 11.7918 11.9548 11.9548 k = 0.2121 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9017 -31.9017 -31.8792 -31.8792 -31.8577 -31.8577 -13.3704 -13.3704 -13.2392 -13.2392 -13.1703 -13.1703 -12.9762 -12.9762 -12.8753 -12.8753 -12.8501 -12.8501 -12.8055 -12.8055 -12.7505 -12.7505 -12.6900 -12.6900 -11.6205 -11.6205 -11.6192 -11.6192 -10.5910 -10.5910 -10.5862 -10.5862 -10.5849 -10.5849 -8.8658 -8.8658 2.5364 2.5364 4.5227 4.5227 4.8239 4.8239 5.2198 5.2198 6.5880 6.5880 7.9170 7.9170 8.5552 8.5552 10.8824 10.8824 10.9510 10.9510 11.7212 11.7212 11.7617 11.7617 11.9052 11.9052 k = 0.2273 0.5000-0.0000 ( 4274 PWs) bands (ev): -31.9008 -31.9008 -31.8792 -31.8792 -31.8585 -31.8585 -13.3795 -13.3795 -13.2380 -13.2380 -13.1731 -13.1731 -12.9759 -12.9759 -12.8767 -12.8767 -12.8471 -12.8471 -12.8059 -12.8059 -12.7473 -12.7473 -12.6900 -12.6900 -11.6205 -11.6205 -11.6191 -11.6191 -10.5910 -10.5910 -10.5861 -10.5861 -10.5849 -10.5849 -8.8520 -8.8520 2.5548 2.5548 4.5061 4.5061 4.7770 4.7770 5.2140 5.2140 6.6292 6.6292 7.8529 7.8529 8.5486 8.5486 10.9285 10.9285 10.9837 10.9837 11.6911 11.6911 11.7328 11.7328 11.8648 11.8648 k = 0.2424 0.5000-0.0000 ( 4270 PWs) bands (ev): -31.8999 -31.8999 -31.8792 -31.8792 -31.8594 -31.8594 -13.3884 -13.3884 -13.2369 -13.2369 -13.1759 -13.1759 -12.9755 -12.9755 -12.8783 -12.8783 -12.8441 -12.8441 -12.8065 -12.8065 -12.7442 -12.7442 -12.6899 -12.6899 -11.6206 -11.6206 -11.6190 -11.6190 -10.5910 -10.5910 -10.5860 -10.5860 -10.5848 -10.5848 -8.8379 -8.8379 2.5738 2.5738 4.4889 4.4889 4.7305 4.7305 5.2081 5.2081 6.6709 6.6709 7.7900 7.7900 8.5422 8.5422 10.9760 10.9760 11.0176 11.0176 11.6494 11.6494 11.7054 11.7054 11.8348 11.8348 k = 0.2576 0.5000-0.0000 ( 4276 PWs) bands (ev): -31.8990 -31.8990 -31.8792 -31.8792 -31.8603 -31.8603 -13.3974 -13.3974 -13.2360 -13.2360 -13.1785 -13.1785 -12.9749 -12.9749 -12.8799 -12.8799 -12.8413 -12.8413 -12.8072 -12.8072 -12.7413 -12.7413 -12.6897 -12.6897 -11.6206 -11.6206 -11.6189 -11.6189 -10.5910 -10.5910 -10.5860 -10.5860 -10.5847 -10.5847 -8.8238 -8.8238 2.5934 2.5934 4.4712 4.4712 4.6847 4.6847 5.2022 5.2022 6.7130 6.7130 7.7286 7.7286 8.5359 8.5359 11.0246 11.0246 11.0526 11.0526 11.5982 11.5982 11.6798 11.6798 11.8132 11.8132 k = 0.2727 0.5000-0.0000 ( 4276 PWs) bands (ev): -31.8980 -31.8980 -31.8792 -31.8792 -31.8613 -31.8613 -13.4061 -13.4061 -13.2351 -13.2351 -13.1810 -13.1810 -12.9741 -12.9741 -12.8814 -12.8814 -12.8387 -12.8387 -12.8081 -12.8081 -12.7384 -12.7384 -12.6894 -12.6894 -11.6207 -11.6207 -11.6188 -11.6188 -10.5911 -10.5911 -10.5859 -10.5859 -10.5847 -10.5847 -8.8097 -8.8097 2.6134 2.6134 4.4531 4.4531 4.6399 4.6399 5.1964 5.1964 6.7551 6.7551 7.6693 7.6693 8.5298 8.5298 11.0743 11.0743 11.0883 11.0883 11.5412 11.5412 11.6558 11.6558 11.7966 11.7966 k = 0.2879 0.5000-0.0000 ( 4282 PWs) bands (ev): -31.8969 -31.8969 -31.8792 -31.8792 -31.8623 -31.8623 -13.4146 -13.4146 -13.2344 -13.2344 -13.1833 -13.1833 -12.9732 -12.9732 -12.8829 -12.8829 -12.8363 -12.8363 -12.8090 -12.8090 -12.7357 -12.7357 -12.6890 -12.6890 -11.6207 -11.6207 -11.6187 -11.6187 -10.5911 -10.5911 -10.5858 -10.5858 -10.5846 -10.5846 -8.7959 -8.7959 2.6336 2.6336 4.4348 4.4348 4.5964 4.5964 5.1907 5.1907 6.7970 6.7970 7.6124 7.6124 8.5239 8.5239 11.1244 11.1244 11.1253 11.1253 11.4812 11.4812 11.6335 11.6335 11.7828 11.7828 k = 0.3030 0.5000-0.0000 ( 4282 PWs) bands (ev): -31.8958 -31.8958 -31.8791 -31.8791 -31.8633 -31.8633 -13.4229 -13.4229 -13.2337 -13.2337 -13.1855 -13.1855 -12.9722 -12.9722 -12.8842 -12.8842 -12.8342 -12.8342 -12.8101 -12.8101 -12.7331 -12.7331 -12.6886 -12.6886 -11.6208 -11.6208 -11.6186 -11.6186 -10.5912 -10.5912 -10.5857 -10.5857 -10.5845 -10.5845 -8.7823 -8.7823 2.6539 2.6539 4.4164 4.4164 4.5546 4.5546 5.1852 5.1852 6.8382 6.8382 7.5583 7.5583 8.5182 8.5182 11.1614 11.1614 11.1762 11.1762 11.4200 11.4200 11.6128 11.6128 11.7703 11.7703 k = 0.3182 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.8947 -31.8947 -31.8791 -31.8791 -31.8644 -31.8644 -13.4307 -13.4307 -13.2332 -13.2332 -13.1874 -13.1874 -12.9712 -12.9712 -12.8854 -12.8854 -12.8323 -12.8323 -12.8113 -12.8113 -12.7307 -12.7307 -12.6880 -12.6880 -11.6209 -11.6209 -11.6184 -11.6184 -10.5913 -10.5913 -10.5857 -10.5857 -10.5844 -10.5844 -8.7692 -8.7692 2.6740 2.6740 4.3981 4.3981 4.5147 4.5147 5.1798 5.1798 6.8786 6.8786 7.5074 7.5074 8.5127 8.5127 11.1980 11.1980 11.2279 11.2279 11.3588 11.3588 11.5937 11.5937 11.7586 11.7586 k = 0.3333 0.5000-0.0000 ( 4296 PWs) bands (ev): -31.8935 -31.8935 -31.8791 -31.8791 -31.8655 -31.8655 -13.4381 -13.4381 -13.2328 -13.2328 -13.1892 -13.1892 -12.9701 -12.9701 -12.8864 -12.8864 -12.8306 -12.8306 -12.8126 -12.8126 -12.7285 -12.7285 -12.6874 -12.6874 -11.6210 -11.6210 -11.6183 -11.6183 -10.5913 -10.5913 -10.5856 -10.5856 -10.5843 -10.5843 -8.7567 -8.7567 2.6937 2.6937 4.3800 4.3800 4.4770 4.4770 5.1747 5.1747 6.9175 6.9175 7.4601 7.4601 8.5076 8.5076 11.2343 11.2343 11.2797 11.2797 11.2986 11.2986 11.5763 11.5763 11.7473 11.7473 k = 0.3485 0.5000-0.0000 ( 4290 PWs) bands (ev): -31.8923 -31.8923 -31.8791 -31.8791 -31.8667 -31.8667 -13.4451 -13.4451 -13.2325 -13.2325 -13.1907 -13.1907 -12.9690 -12.9690 -12.8873 -12.8873 -12.8291 -12.8291 -12.8140 -12.8140 -12.7264 -12.7264 -12.6868 -12.6868 -11.6210 -11.6210 -11.6182 -11.6182 -10.5914 -10.5914 -10.5855 -10.5855 -10.5842 -10.5842 -8.7448 -8.7448 2.7129 2.7129 4.3625 4.3625 4.4417 4.4417 5.1699 5.1699 6.9545 6.9545 7.4166 7.4166 8.5027 8.5027 11.2400 11.2400 11.2703 11.2703 11.3313 11.3313 11.5605 11.5605 11.7365 11.7365 k = 0.3636 0.5000-0.0000 ( 4294 PWs) bands (ev): -31.8911 -31.8911 -31.8791 -31.8791 -31.8679 -31.8679 -13.4515 -13.4515 -13.2323 -13.2323 -13.1921 -13.1921 -12.9679 -12.9679 -12.8880 -12.8880 -12.8278 -12.8278 -12.8153 -12.8153 -12.7245 -12.7245 -12.6862 -12.6862 -11.6211 -11.6211 -11.6181 -11.6181 -10.5915 -10.5915 -10.5855 -10.5855 -10.5842 -10.5842 -8.7336 -8.7336 2.7312 2.7312 4.3456 4.3456 4.4092 4.4092 5.1654 5.1654 6.9892 6.9892 7.3774 7.3774 8.4982 8.4982 11.1845 11.1845 11.3048 11.3048 11.3822 11.3822 11.5463 11.5463 11.7261 11.7261 k = 0.3788 0.5000-0.0000 ( 4302 PWs) bands (ev): -31.8899 -31.8899 -31.8791 -31.8791 -31.8691 -31.8691 -13.4574 -13.4574 -13.2322 -13.2322 -13.1932 -13.1932 -12.9669 -12.9669 -12.8886 -12.8886 -12.8267 -12.8267 -12.8167 -12.8167 -12.7228 -12.7228 -12.6856 -12.6856 -11.6211 -11.6211 -11.6180 -11.6180 -10.5915 -10.5915 -10.5854 -10.5854 -10.5841 -10.5841 -8.7234 -8.7234 2.7486 2.7486 4.3296 4.3296 4.3795 4.3795 5.1613 5.1613 7.0207 7.0207 7.3427 7.3427 8.4941 8.4941 11.1322 11.1322 11.3379 11.3379 11.4318 11.4318 11.5337 11.5337 11.7163 11.7163 k = 0.3939 0.5000-0.0000 ( 4294 PWs) bands (ev): -31.8886 -31.8886 -31.8791 -31.8791 -31.8703 -31.8703 -13.4627 -13.4627 -13.2322 -13.2322 -13.1941 -13.1941 -12.9660 -12.9660 -12.8891 -12.8891 -12.8257 -12.8257 -12.8181 -12.8181 -12.7212 -12.7212 -12.6849 -12.6849 -11.6212 -11.6212 -11.6179 -11.6179 -10.5916 -10.5916 -10.5853 -10.5853 -10.5840 -10.5840 -8.7141 -8.7141 2.7646 2.7646 4.3146 4.3146 4.3530 4.3530 5.1576 5.1576 7.0485 7.0485 7.3132 7.3132 8.4904 8.4904 11.0840 11.0840 11.3690 11.3690 11.4796 11.4796 11.5226 11.5226 11.7073 11.7073 k = 0.4091 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.8873 -31.8873 -31.8791 -31.8791 -31.8716 -31.8716 -13.4673 -13.4673 -13.2322 -13.2322 -13.1949 -13.1949 -12.9651 -12.9651 -12.8894 -12.8894 -12.8250 -12.8250 -12.8193 -12.8193 -12.7198 -12.7198 -12.6844 -12.6844 -11.6213 -11.6213 -11.6178 -11.6178 -10.5917 -10.5917 -10.5853 -10.5853 -10.5839 -10.5839 -8.7059 -8.7059 2.7792 2.7792 4.3010 4.3010 4.3297 4.3297 5.1544 5.1544 7.0717 7.0717 7.2893 7.2893 8.4872 8.4872 11.0405 11.0405 11.3977 11.3977 11.5130 11.5130 11.5246 11.5246 11.6991 11.6991 k = 0.4242 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.8860 -31.8860 -31.8791 -31.8791 -31.8728 -31.8728 -13.4713 -13.4713 -13.2323 -13.2323 -13.1955 -13.1955 -12.9644 -12.9644 -12.8897 -12.8897 -12.8243 -12.8243 -12.8205 -12.8205 -12.7186 -12.7186 -12.6839 -12.6839 -11.6213 -11.6213 -11.6178 -11.6178 -10.5917 -10.5917 -10.5853 -10.5853 -10.5838 -10.5838 -8.6988 -8.6988 2.7919 2.7919 4.2888 4.2888 4.3100 4.3100 5.1516 5.1516 7.0895 7.0895 7.2716 7.2716 8.4844 8.4844 11.0025 11.0025 11.4232 11.4232 11.5050 11.5050 11.5658 11.5658 11.6920 11.6920 k = 0.4394 0.5000-0.0000 ( 4286 PWs) bands (ev): -31.8847 -31.8847 -31.8791 -31.8791 -31.8741 -31.8741 -13.4746 -13.4746 -13.2324 -13.2324 -13.1959 -13.1959 -12.9637 -12.9637 -12.8899 -12.8899 -12.8238 -12.8238 -12.8215 -12.8215 -12.7177 -12.7177 -12.6834 -12.6834 -11.6213 -11.6213 -11.6177 -11.6177 -10.5917 -10.5917 -10.5852 -10.5852 -10.5838 -10.5838 -8.6929 -8.6929 2.8027 2.8027 4.2782 4.2782 4.2940 4.2940 5.1492 5.1492 7.1015 7.1015 7.2601 7.2601 8.4821 8.4821 10.9706 10.9706 11.4452 11.4452 11.4984 11.4984 11.6022 11.6022 11.6860 11.6860 k = 0.4545 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.8834 -31.8834 -31.8791 -31.8791 -31.8754 -31.8754 -13.4772 -13.4772 -13.2325 -13.2325 -13.1963 -13.1963 -12.9632 -12.9632 -12.8900 -12.8900 -12.8234 -12.8234 -12.8223 -12.8223 -12.7169 -12.7169 -12.6831 -12.6831 -11.6214 -11.6214 -11.6177 -11.6177 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6883 -8.6883 2.8113 2.8113 4.2693 4.2693 4.2819 4.2819 5.1474 5.1474 7.1083 7.1083 7.2541 7.2541 8.4803 8.4803 10.9451 10.9451 11.4630 11.4630 11.4933 11.4934 11.6323 11.6323 11.6814 11.6814 k = 0.4697 0.5000-0.0000 ( 4288 PWs) bands (ev): -31.8821 -31.8821 -31.8791 -31.8791 -31.8767 -31.8767 -13.4790 -13.4790 -13.2326 -13.2326 -13.1965 -13.1965 -12.9628 -12.9628 -12.8900 -12.8900 -12.8233 -12.8233 -12.8228 -12.8228 -12.7164 -12.7164 -12.6828 -12.6828 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6850 -8.6850 2.8176 2.8176 4.2624 4.2624 4.2736 4.2736 5.1461 5.1461 7.1111 7.1111 7.2519 7.2519 8.4790 8.4790 10.9266 10.9266 11.4761 11.4761 11.4897 11.4897 11.6547 11.6547 11.6783 11.6783 k = 0.4848 0.5000-0.0000 ( 4288 PWs) bands (ev): -31.8808 -31.8808 -31.8791 -31.8791 -31.8780 -31.8780 -13.4802 -13.4802 -13.2326 -13.2326 -13.1967 -13.1967 -12.9626 -12.9626 -12.8901 -12.8901 -12.8235 -12.8235 -12.8228 -12.8228 -12.7161 -12.7161 -12.6827 -12.6827 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6829 -8.6829 2.8214 2.8214 4.2580 4.2580 4.2688 4.2688 5.1453 5.1453 7.1120 7.1120 7.2515 7.2515 8.4782 8.4782 10.9154 10.9154 11.4841 11.4841 11.4876 11.4876 11.6674 11.6674 11.6777 11.6777 k = 0.5000 0.5000-0.0000 ( 4260 PWs) bands (ev): -31.8798 -31.8798 -31.8790 -31.8790 -31.8790 -31.8790 -13.4805 -13.4805 -13.2326 -13.2326 -13.1966 -13.1966 -12.9625 -12.9625 -12.8900 -12.8900 -12.8235 -12.8235 -12.8227 -12.8227 -12.7159 -12.7159 -12.6826 -12.6826 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6823 -8.6823 2.8227 2.8227 4.2565 4.2565 4.2672 4.2672 5.1450 5.1450 7.1121 7.1121 7.2516 7.2516 8.4780 8.4780 10.9117 10.9117 11.4868 11.4868 11.4869 11.4869 11.6703 11.6703 11.6791 11.6791 k = 0.5000 0.5000-0.0000 ( 4260 PWs) bands (ev): -31.8798 -31.8798 -31.8790 -31.8790 -31.8790 -31.8790 -13.4805 -13.4805 -13.2326 -13.2326 -13.1966 -13.1966 -12.9625 -12.9625 -12.8900 -12.8900 -12.8235 -12.8235 -12.8227 -12.8227 -12.7159 -12.7159 -12.6826 -12.6826 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6823 -8.6823 2.8227 2.8227 4.2565 4.2565 4.2672 4.2672 5.1450 5.1450 7.1121 7.1121 7.2516 7.2516 8.4780 8.4780 10.9117 10.9117 11.4868 11.4868 11.4869 11.4869 11.6703 11.6703 11.6791 11.6791 k = 0.4891 0.4891-0.0000 ( 4292 PWs) bands (ev): -31.8808 -31.8808 -31.8790 -31.8790 -31.8780 -31.8780 -13.4801 -13.4801 -13.2326 -13.2326 -13.1967 -13.1967 -12.9626 -12.9626 -12.8901 -12.8901 -12.8235 -12.8235 -12.8228 -12.8228 -12.7161 -12.7161 -12.6827 -12.6827 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6830 -8.6830 2.8214 2.8214 4.2581 4.2581 4.2688 4.2688 5.1453 5.1453 7.1120 7.1120 7.2515 7.2515 8.4782 8.4782 10.9155 10.9155 11.4846 11.4846 11.4870 11.4870 11.6673 11.6673 11.6777 11.6777 k = 0.4783 0.4783-0.0000 ( 4292 PWs) bands (ev): -31.8822 -31.8822 -31.8789 -31.8789 -31.8768 -31.8768 -13.4790 -13.4790 -13.2326 -13.2326 -13.1965 -13.1965 -12.9629 -12.9629 -12.8900 -12.8900 -12.8234 -12.8234 -12.8227 -12.8227 -12.7164 -12.7164 -12.6828 -12.6828 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6850 -8.6850 2.8175 2.8175 4.2626 4.2626 4.2738 4.2738 5.1461 5.1461 7.1117 7.1117 7.2514 7.2514 8.4790 8.4790 10.9269 10.9269 11.4779 11.4779 11.4876 11.4876 11.6544 11.6544 11.6783 11.6783 k = 0.4674 0.4674-0.0000 ( 4292 PWs) bands (ev): -31.8836 -31.8836 -31.8788 -31.8788 -31.8755 -31.8755 -13.4771 -13.4771 -13.2325 -13.2325 -13.1963 -13.1963 -12.9633 -12.9633 -12.8900 -12.8900 -12.8237 -12.8237 -12.8220 -12.8220 -12.7170 -12.7170 -12.6831 -12.6831 -11.6214 -11.6214 -11.6177 -11.6177 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6885 -8.6885 2.8109 2.8109 4.2696 4.2696 4.2824 4.2824 5.1475 5.1475 7.1108 7.1108 7.2517 7.2517 8.4804 8.4804 10.9452 10.9452 11.4669 11.4669 11.4885 11.4885 11.6320 11.6320 11.6813 11.6813 k = 0.4565 0.4565-0.0000 ( 4294 PWs) bands (ev): -31.8851 -31.8851 -31.8786 -31.8786 -31.8743 -31.8743 -13.4744 -13.4744 -13.2324 -13.2324 -13.1959 -13.1959 -12.9638 -12.9638 -12.8899 -12.8899 -12.8242 -12.8242 -12.8210 -12.8210 -12.7179 -12.7179 -12.6833 -12.6833 -11.6213 -11.6213 -11.6177 -11.6177 -10.5917 -10.5917 -10.5852 -10.5852 -10.5838 -10.5838 -8.6933 -8.6933 2.8019 2.8019 4.2788 4.2788 4.2950 4.2950 5.1494 5.1494 7.1092 7.1092 7.2530 7.2530 8.4824 8.4824 10.9695 10.9695 11.4518 11.4518 11.4897 11.4897 11.6030 11.6030 11.6859 11.6859 k = 0.4457 0.4457-0.0000 ( 4294 PWs) bands (ev): -31.8866 -31.8866 -31.8783 -31.8783 -31.8731 -31.8731 -13.4711 -13.4711 -13.2324 -13.2324 -13.1954 -13.1954 -12.9645 -12.9645 -12.8898 -12.8898 -12.8248 -12.8248 -12.8197 -12.8197 -12.7190 -12.7190 -12.6836 -12.6836 -11.6213 -11.6213 -11.6178 -11.6178 -10.5917 -10.5917 -10.5853 -10.5853 -10.5839 -10.5839 -8.6995 -8.6995 2.7905 2.7905 4.2901 4.2901 4.3113 4.3113 5.1518 5.1518 7.1064 7.1064 7.2560 7.2560 8.4849 8.4849 10.9979 10.9979 11.4327 11.4327 11.4912 11.4912 11.5698 11.5698 11.6916 11.6916 k = 0.4348 0.4348-0.0000 ( 4290 PWs) bands (ev): -31.8881 -31.8881 -31.8779 -31.8779 -31.8720 -31.8720 -13.4670 -13.4670 -13.2323 -13.2323 -13.1946 -13.1946 -12.9653 -12.9653 -12.8896 -12.8896 -12.8256 -12.8256 -12.8182 -12.8182 -12.7205 -12.7205 -12.6838 -12.6838 -11.6213 -11.6213 -11.6178 -11.6178 -10.5917 -10.5917 -10.5853 -10.5853 -10.5839 -10.5839 -8.7070 -8.7070 2.7768 2.7768 4.3034 4.3034 4.3313 4.3313 5.1547 5.1547 7.1024 7.1024 7.2615 7.2615 8.4881 8.4881 11.0278 11.0278 11.4100 11.4100 11.4931 11.4931 11.5357 11.5357 11.6982 11.6982 k = 0.4239 0.4239-0.0000 ( 4286 PWs) bands (ev): -31.8896 -31.8896 -31.8775 -31.8775 -31.8708 -31.8708 -13.4623 -13.4623 -13.2324 -13.2324 -13.1937 -13.1937 -12.9662 -12.9662 -12.8893 -12.8893 -12.8266 -12.8266 -12.8164 -12.8164 -12.7222 -12.7222 -12.6839 -12.6839 -11.6212 -11.6212 -11.6179 -11.6179 -10.5916 -10.5916 -10.5854 -10.5854 -10.5840 -10.5840 -8.7158 -8.7158 2.7609 2.7609 4.3188 4.3188 4.3544 4.3544 5.1582 5.1582 7.0972 7.0972 7.2697 7.2697 8.4920 8.4920 11.0554 11.0554 11.3839 11.3839 11.4951 11.4951 11.5048 11.5048 11.7055 11.7055 k = 0.4130 0.4130-0.0000 ( 4290 PWs) bands (ev): -31.8912 -31.8912 -31.8771 -31.8771 -31.8698 -31.8698 -13.4570 -13.4570 -13.2325 -13.2325 -13.1925 -13.1925 -12.9673 -12.9673 -12.8890 -12.8890 -12.8277 -12.8277 -12.8144 -12.8144 -12.7244 -12.7244 -12.6839 -12.6839 -11.6212 -11.6212 -11.6180 -11.6180 -10.5916 -10.5916 -10.5854 -10.5854 -10.5841 -10.5841 -8.7258 -8.7258 2.7430 2.7430 4.3363 4.3363 4.3805 4.3805 5.1621 5.1621 7.0914 7.0914 7.2810 7.2810 8.4966 8.4966 11.0749 11.0749 11.3547 11.3547 11.4821 11.4821 11.4974 11.4974 11.7130 11.7130 k = 0.4022 0.4022-0.0000 ( 4280 PWs) bands (ev): -31.8928 -31.8928 -31.8766 -31.8766 -31.8687 -31.8687 -13.4511 -13.4511 -13.2328 -13.2328 -13.1909 -13.1909 -12.9685 -12.9685 -12.8885 -12.8885 -12.8289 -12.8289 -12.8121 -12.8121 -12.7268 -12.7268 -12.6838 -12.6838 -11.6212 -11.6212 -11.6181 -11.6181 -10.5915 -10.5915 -10.5855 -10.5855 -10.5842 -10.5842 -8.7371 -8.7371 2.7232 2.7232 4.3558 4.3558 4.4092 4.4092 5.1665 5.1665 7.0854 7.0854 7.2952 7.2952 8.5020 8.5020 11.0799 11.0799 11.3230 11.3230 11.4738 11.4738 11.4997 11.4997 11.7205 11.7205 k = 0.3913 0.3913-0.0000 ( 4278 PWs) bands (ev): -31.8944 -31.8944 -31.8760 -31.8760 -31.8677 -31.8677 -13.4447 -13.4447 -13.2333 -13.2333 -13.1891 -13.1891 -12.9699 -12.9699 -12.8880 -12.8880 -12.8302 -12.8302 -12.8097 -12.8097 -12.7296 -12.7296 -12.6835 -12.6835 -11.6212 -11.6212 -11.6182 -11.6182 -10.5915 -10.5915 -10.5855 -10.5855 -10.5843 -10.5843 -8.7496 -8.7496 2.7017 2.7017 4.3774 4.3774 4.4403 4.4403 5.1713 5.1713 7.0800 7.0800 7.3124 7.3124 8.5083 8.5083 11.0667 11.0667 11.2888 11.2888 11.4822 11.4822 11.5019 11.5019 11.7275 11.7275 k = 0.3804 0.3804-0.0000 ( 4278 PWs) bands (ev): -31.8960 -31.8960 -31.8754 -31.8754 -31.8668 -31.8668 -13.4379 -13.4379 -13.2339 -13.2339 -13.1869 -13.1869 -12.9713 -12.9713 -12.8874 -12.8874 -12.8317 -12.8317 -12.8071 -12.8071 -12.7326 -12.7326 -12.6830 -12.6830 -11.6212 -11.6212 -11.6183 -11.6183 -10.5915 -10.5915 -10.5856 -10.5856 -10.5844 -10.5844 -8.7631 -8.7631 2.6786 2.6786 4.4008 4.4008 4.4733 4.4733 5.1765 5.1765 7.0760 7.0760 7.3325 7.3325 8.5155 8.5155 11.0365 11.0365 11.2526 11.2526 11.5028 11.5028 11.5055 11.5055 11.7334 11.7334 k = 0.3696 0.3696-0.0000 ( 4278 PWs) bands (ev): -31.8976 -31.8976 -31.8748 -31.8748 -31.8658 -31.8658 -13.4307 -13.4307 -13.2347 -13.2347 -13.1843 -13.1843 -12.9728 -12.9728 -12.8868 -12.8868 -12.8333 -12.8333 -12.8044 -12.8044 -12.7359 -12.7359 -12.6824 -12.6824 -11.6212 -11.6212 -11.6184 -11.6184 -10.5914 -10.5914 -10.5857 -10.5857 -10.5845 -10.5845 -8.7778 -8.7778 2.6540 2.6540 4.4261 4.4261 4.5081 4.5081 5.1821 5.1821 7.0740 7.0740 7.3552 7.3552 8.5237 8.5237 10.9939 10.9939 11.2147 11.2147 11.5054 11.5054 11.5338 11.5338 11.7378 11.7378 k = 0.3587 0.3587-0.0000 ( 4274 PWs) bands (ev): -31.8993 -31.8993 -31.8741 -31.8741 -31.8649 -31.8649 -13.4231 -13.4231 -13.2358 -13.2358 -13.1813 -13.1813 -12.9744 -12.9744 -12.8860 -12.8860 -12.8349 -12.8349 -12.8015 -12.8015 -12.7393 -12.7393 -12.6817 -12.6817 -11.6213 -11.6213 -11.6186 -11.6186 -10.5914 -10.5914 -10.5859 -10.5859 -10.5847 -10.5847 -8.7935 -8.7935 2.6281 2.6281 4.4532 4.4532 4.5443 4.5443 5.1881 5.1881 7.0747 7.0747 7.3804 7.3804 8.5329 8.5329 10.9432 10.9432 11.1753 11.1753 11.5064 11.5064 11.5637 11.5637 11.7400 11.7400 k = 0.3478 0.3478-0.0000 ( 4270 PWs) bands (ev): -31.9009 -31.9009 -31.8734 -31.8734 -31.8641 -31.8641 -13.4153 -13.4153 -13.2369 -13.2369 -13.1779 -13.1779 -12.9760 -12.9760 -12.8851 -12.8851 -12.8367 -12.8367 -12.7985 -12.7985 -12.7427 -12.7427 -12.6808 -12.6808 -11.6214 -11.6214 -11.6187 -11.6187 -10.5914 -10.5914 -10.5860 -10.5860 -10.5848 -10.5848 -8.8101 -8.8101 2.6010 2.6010 4.4819 4.4819 4.5816 4.5816 5.1944 5.1944 7.0788 7.0788 7.4082 7.4082 8.5432 8.5432 10.8875 10.8875 11.1349 11.1349 11.5065 11.5065 11.5886 11.5886 11.7395 11.7395 k = 0.3370 0.3370-0.0000 ( 4254 PWs) bands (ev): -31.9026 -31.9026 -31.8726 -31.8726 -31.8633 -31.8633 -13.4074 -13.4074 -13.2383 -13.2383 -13.1742 -13.1742 -12.9776 -12.9776 -12.8842 -12.8842 -12.8386 -12.8386 -12.7953 -12.7953 -12.7462 -12.7462 -12.6798 -12.6798 -11.6215 -11.6215 -11.6188 -11.6188 -10.5915 -10.5915 -10.5861 -10.5861 -10.5849 -10.5849 -8.8276 -8.8276 2.5728 2.5728 4.5121 4.5121 4.6198 4.6198 5.2010 5.2010 7.0868 7.0868 7.4384 7.4384 8.5547 8.5547 10.8287 10.8287 11.0936 11.0936 11.5054 11.5054 11.6046 11.6046 11.7356 11.7356 k = 0.3261 0.3261-0.0000 ( 4260 PWs) bands (ev): -31.9042 -31.9042 -31.8718 -31.8718 -31.8625 -31.8625 -13.3994 -13.3994 -13.2399 -13.2399 -13.1701 -13.1701 -12.9793 -12.9793 -12.8832 -12.8832 -12.8405 -12.8405 -12.7920 -12.7920 -12.7497 -12.7497 -12.6787 -12.6787 -11.6216 -11.6216 -11.6190 -11.6190 -10.5915 -10.5915 -10.5863 -10.5863 -10.5850 -10.5850 -8.8460 -8.8460 2.5436 2.5436 4.5437 4.5437 4.6584 4.6584 5.2079 5.2079 7.0992 7.0992 7.4710 7.4710 8.5675 8.5675 10.7681 10.7681 11.0516 11.0516 11.5027 11.5027 11.6089 11.6089 11.7277 11.7277 k = 0.3152 0.3152-0.0000 ( 4276 PWs) bands (ev): -31.9059 -31.9059 -31.8710 -31.8710 -31.8617 -31.8617 -13.3915 -13.3915 -13.2416 -13.2416 -13.1656 -13.1656 -12.9810 -12.9810 -12.8822 -12.8822 -12.8425 -12.8425 -12.7887 -12.7887 -12.7530 -12.7530 -12.6776 -12.6776 -11.6217 -11.6217 -11.6191 -11.6191 -10.5915 -10.5915 -10.5865 -10.5865 -10.5852 -10.5852 -8.8651 -8.8651 2.5137 2.5137 4.5766 4.5766 4.6974 4.6974 5.2149 5.2149 7.1164 7.1164 7.5060 7.5060 8.5816 8.5816 10.7065 10.7065 11.0093 11.0093 11.4980 11.4980 11.6007 11.6007 11.7150 11.7150 k = 0.3043 0.3043-0.0000 ( 4274 PWs) bands (ev): -31.9075 -31.9075 -31.8701 -31.8701 -31.8610 -31.8610 -13.3836 -13.3836 -13.2434 -13.2434 -13.1608 -13.1608 -12.9826 -12.9826 -12.8812 -12.8812 -12.8446 -12.8446 -12.7854 -12.7854 -12.7561 -12.7561 -12.6764 -12.6764 -11.6219 -11.6219 -11.6193 -11.6193 -10.5916 -10.5916 -10.5867 -10.5867 -10.5853 -10.5853 -8.8849 -8.8849 2.4830 2.4830 4.6106 4.6106 4.7364 4.7364 5.2222 5.2222 7.1387 7.1387 7.5432 7.5432 8.5972 8.5972 10.6445 10.6445 10.9668 10.9668 11.4909 11.4909 11.5802 11.5802 11.6973 11.6973 k = 0.2935 0.2935-0.0000 ( 4276 PWs) bands (ev): -31.9092 -31.9092 -31.8692 -31.8692 -31.8603 -31.8603 -13.3760 -13.3760 -13.2454 -13.2454 -13.1558 -13.1558 -12.9841 -12.9841 -12.8801 -12.8801 -12.8466 -12.8466 -12.7821 -12.7821 -12.7587 -12.7587 -12.6751 -12.6751 -11.6221 -11.6221 -11.6194 -11.6194 -10.5917 -10.5917 -10.5869 -10.5869 -10.5854 -10.5854 -8.9052 -8.9052 2.4518 2.4518 4.6456 4.6456 4.7751 4.7751 5.2297 5.2297 7.1665 7.1665 7.5828 7.5828 8.6142 8.6142 10.5826 10.5826 10.9243 10.9243 11.4811 11.4811 11.5489 11.5489 11.6739 11.6739 k = 0.2826 0.2826-0.0000 ( 4268 PWs) bands (ev): -31.9108 -31.9108 -31.8683 -31.8683 -31.8597 -31.8597 -13.3685 -13.3685 -13.2475 -13.2475 -13.1504 -13.1504 -12.9855 -12.9855 -12.8791 -12.8791 -12.8487 -12.8487 -12.7792 -12.7792 -12.7606 -12.7606 -12.6737 -12.6737 -11.6223 -11.6223 -11.6196 -11.6196 -10.5918 -10.5918 -10.5871 -10.5871 -10.5856 -10.5856 -8.9261 -8.9261 2.4201 2.4201 4.6814 4.6814 4.8135 4.8135 5.2372 5.2372 7.2000 7.2000 7.6247 7.6247 8.6327 8.6327 10.5212 10.5212 10.8821 10.8821 11.4679 11.4679 11.5086 11.5086 11.6446 11.6446 k = 0.2717 0.2717-0.0000 ( 4262 PWs) bands (ev): -31.9124 -31.9124 -31.8674 -31.8674 -31.8591 -31.8591 -13.3614 -13.3614 -13.2497 -13.2497 -13.1449 -13.1449 -12.9867 -12.9867 -12.8780 -12.8780 -12.8507 -12.8507 -12.7770 -12.7770 -12.7613 -12.7613 -12.6723 -12.6723 -11.6225 -11.6225 -11.6198 -11.6198 -10.5919 -10.5919 -10.5873 -10.5873 -10.5858 -10.5858 -8.9474 -8.9474 2.3882 2.3882 4.7180 4.7180 4.8512 4.8512 5.2449 5.2449 7.2393 7.2393 7.6689 7.6689 8.6528 8.6528 10.4603 10.4603 10.8403 10.8403 11.4505 11.4505 11.4616 11.4616 11.6091 11.6091 k = 0.2609 0.2609-0.0000 ( 4262 PWs) bands (ev): -31.9140 -31.9140 -31.8665 -31.8665 -31.8585 -31.8585 -13.3546 -13.3546 -13.2520 -13.2520 -13.1394 -13.1394 -12.9878 -12.9878 -12.8770 -12.8770 -12.8527 -12.8527 -12.7762 -12.7762 -12.7602 -12.7602 -12.6709 -12.6709 -11.6228 -11.6228 -11.6201 -11.6201 -10.5920 -10.5920 -10.5876 -10.5876 -10.5859 -10.5859 -8.9690 -8.9690 2.3561 2.3561 4.7551 4.7551 4.8882 4.8882 5.2525 5.2525 7.2845 7.2845 7.7153 7.7153 8.6746 8.6746 10.4004 10.4004 10.7990 10.7990 11.4077 11.4077 11.4302 11.4302 11.5674 11.5674 k = 0.2500 0.2500-0.0000 ( 4258 PWs) bands (ev): -31.9155 -31.9155 -31.8656 -31.8656 -31.8579 -31.8579 -13.3483 -13.3483 -13.2544 -13.2544 -13.1339 -13.1339 -12.9885 -12.9885 -12.8760 -12.8760 -12.8545 -12.8545 -12.7766 -12.7766 -12.7575 -12.7575 -12.6695 -12.6695 -11.6230 -11.6230 -11.6203 -11.6203 -10.5922 -10.5922 -10.5878 -10.5878 -10.5861 -10.5861 -8.9908 -8.9908 2.3239 2.3239 4.7925 4.7925 4.9242 4.9242 5.2602 5.2602 7.3356 7.3356 7.7640 7.7640 8.6981 8.6981 10.3416 10.3416 10.7584 10.7584 11.3512 11.3512 11.4041 11.4041 11.5198 11.5198 k = 0.2391 0.2391-0.0000 ( 4262 PWs) bands (ev): -31.9170 -31.9170 -31.8647 -31.8647 -31.8574 -31.8574 -13.3424 -13.3424 -13.2569 -13.2569 -13.1286 -13.1286 -12.9889 -12.9889 -12.8751 -12.8751 -12.8563 -12.8563 -12.7776 -12.7776 -12.7536 -12.7536 -12.6680 -12.6680 -11.6233 -11.6233 -11.6206 -11.6206 -10.5923 -10.5923 -10.5880 -10.5880 -10.5864 -10.5864 -9.0128 -9.0128 2.2919 2.2919 4.8302 4.8302 4.9592 4.9592 5.2679 5.2679 7.3926 7.3926 7.8151 7.8151 8.7234 8.7234 10.2840 10.2840 10.7187 10.7187 11.2919 11.2919 11.3726 11.3726 11.4666 11.4666 k = 0.2283 0.2283-0.0000 ( 4266 PWs) bands (ev): -31.9185 -31.9185 -31.8638 -31.8638 -31.8569 -31.8569 -13.3370 -13.3370 -13.2594 -13.2594 -13.1235 -13.1235 -12.9889 -12.9889 -12.8744 -12.8744 -12.8580 -12.8580 -12.7787 -12.7787 -12.7491 -12.7491 -12.6666 -12.6666 -11.6235 -11.6235 -11.6209 -11.6209 -10.5925 -10.5925 -10.5883 -10.5883 -10.5866 -10.5866 -9.0348 -9.0348 2.2601 2.2601 4.8678 4.8678 4.9930 4.9930 5.2755 5.2755 7.4554 7.4554 7.8684 7.8684 8.7505 8.7505 10.2278 10.2278 10.6799 10.6799 11.2311 11.2311 11.3349 11.3349 11.4090 11.4090 k = 0.2174 0.2174-0.0000 ( 4262 PWs) bands (ev): -31.9200 -31.9200 -31.8629 -31.8629 -31.8564 -31.8564 -13.3320 -13.3320 -13.2620 -13.2620 -13.1188 -13.1188 -12.9885 -12.9885 -12.8736 -12.8736 -12.8595 -12.8595 -12.7798 -12.7798 -12.7441 -12.7441 -12.6652 -12.6652 -11.6238 -11.6238 -11.6212 -11.6212 -10.5926 -10.5926 -10.5885 -10.5885 -10.5868 -10.5868 -9.0568 -9.0568 2.2288 2.2288 4.9053 4.9053 5.0257 5.0257 5.2829 5.2829 7.5238 7.5238 7.9241 7.9241 8.7794 8.7794 10.1732 10.1732 10.6423 10.6423 11.1695 11.1695 11.2893 11.2893 11.3489 11.3489 k = 0.2065 0.2065-0.0000 ( 4270 PWs) bands (ev): -31.9214 -31.9214 -31.8620 -31.8620 -31.8560 -31.8560 -13.3275 -13.3275 -13.2646 -13.2646 -13.1145 -13.1145 -12.9876 -12.9876 -12.8730 -12.8730 -12.8608 -12.8608 -12.7807 -12.7807 -12.7388 -12.7388 -12.6638 -12.6638 -11.6241 -11.6241 -11.6216 -11.6216 -10.5928 -10.5928 -10.5887 -10.5887 -10.5871 -10.5871 -9.0786 -9.0786 2.1979 2.1979 4.9425 4.9425 5.0570 5.0570 5.2903 5.2903 7.5976 7.5976 7.9822 7.9822 8.8101 8.8101 10.1202 10.1202 10.6058 10.6058 11.1078 11.1078 11.2330 11.2330 11.2894 11.2894 k = 0.1957 0.1957-0.0000 ( 4270 PWs) bands (ev): -31.9228 -31.9228 -31.8611 -31.8611 -31.8556 -31.8556 -13.3234 -13.3234 -13.2673 -13.2673 -13.1108 -13.1108 -12.9861 -12.9861 -12.8725 -12.8725 -12.8620 -12.8620 -12.7815 -12.7815 -12.7331 -12.7331 -12.6625 -12.6625 -11.6243 -11.6243 -11.6220 -11.6220 -10.5930 -10.5930 -10.5889 -10.5889 -10.5874 -10.5874 -9.1001 -9.1001 2.1678 2.1678 4.9792 4.9792 5.0871 5.0871 5.2975 5.2975 7.6765 7.6765 8.0427 8.0427 8.8427 8.8427 10.0690 10.0690 10.5706 10.5706 11.0465 11.0465 11.1655 11.1655 11.2321 11.2321 k = 0.1848 0.1848-0.0000 ( 4274 PWs) bands (ev): -31.9241 -31.9241 -31.8602 -31.8602 -31.8552 -31.8552 -13.3198 -13.3198 -13.2699 -13.2699 -13.1077 -13.1077 -12.9843 -12.9843 -12.8720 -12.8720 -12.8630 -12.8630 -12.7820 -12.7820 -12.7273 -12.7273 -12.6612 -12.6612 -11.6246 -11.6246 -11.6223 -11.6223 -10.5932 -10.5932 -10.5892 -10.5892 -10.5877 -10.5877 -9.1213 -9.1213 2.1384 2.1384 5.0152 5.0152 5.1159 5.1159 5.3044 5.3044 7.7602 7.7602 8.1056 8.1056 8.8772 8.8772 10.0198 10.0198 10.5369 10.5369 10.9859 10.9859 11.0895 11.0895 11.1750 11.1750 k = 0.1739 0.1739-0.0000 ( 4272 PWs) bands (ev): -31.9253 -31.9253 -31.8594 -31.8594 -31.8548 -31.8548 -13.3166 -13.3166 -13.2726 -13.2726 -13.1051 -13.1051 -12.9819 -12.9819 -12.8717 -12.8717 -12.8638 -12.8638 -12.7823 -12.7823 -12.7212 -12.7212 -12.6600 -12.6600 -11.6248 -11.6248 -11.6227 -11.6227 -10.5934 -10.5934 -10.5894 -10.5894 -10.5880 -10.5880 -9.1419 -9.1419 2.1100 2.1100 5.0503 5.0503 5.1432 5.1432 5.3112 5.3112 7.8482 7.8482 8.1711 8.1711 8.9136 8.9136 9.9725 9.9725 10.5046 10.5046 10.9261 10.9261 11.0080 11.0080 11.1163 11.1163 k = 0.1630 0.1630-0.0000 ( 4272 PWs) bands (ev): -31.9265 -31.9265 -31.8586 -31.8586 -31.8545 -31.8545 -13.3138 -13.3138 -13.2752 -13.2752 -13.1031 -13.1031 -12.9793 -12.9793 -12.8714 -12.8714 -12.8645 -12.8645 -12.7825 -12.7825 -12.7150 -12.7150 -12.6587 -12.6587 -11.6251 -11.6251 -11.6231 -11.6231 -10.5936 -10.5936 -10.5896 -10.5896 -10.5883 -10.5883 -9.1620 -9.1620 2.0826 2.0826 5.0844 5.0844 5.1692 5.1692 5.3177 5.3177 7.9401 7.9401 8.2392 8.2392 8.9518 8.9518 9.9274 9.9274 10.4739 10.4739 10.8666 10.8666 10.9235 10.9235 11.0554 11.0554 k = 0.1522 0.1522-0.0000 ( 4270 PWs) bands (ev): -31.9277 -31.9277 -31.8578 -31.8578 -31.8542 -31.8542 -13.3113 -13.3113 -13.2778 -13.2778 -13.1016 -13.1016 -12.9763 -12.9763 -12.8711 -12.8711 -12.8650 -12.8650 -12.7825 -12.7825 -12.7086 -12.7086 -12.6575 -12.6575 -11.6253 -11.6253 -11.6235 -11.6235 -10.5937 -10.5937 -10.5898 -10.5898 -10.5886 -10.5886 -9.1814 -9.1814 2.0564 2.0564 5.1173 5.1173 5.1938 5.1938 5.3239 5.3239 8.0353 8.0353 8.3102 8.3102 8.9917 8.9917 9.8846 9.8846 10.4449 10.4449 10.8037 10.8037 10.8406 10.8406 10.9922 10.9922 k = 0.1413 0.1413-0.0000 ( 4264 PWs) bands (ev): -31.9288 -31.9288 -31.8571 -31.8571 -31.8539 -31.8539 -13.3092 -13.3092 -13.2804 -13.2804 -13.1006 -13.1006 -12.9732 -12.9732 -12.8709 -12.8709 -12.8655 -12.8655 -12.7823 -12.7823 -12.7022 -12.7022 -12.6564 -12.6564 -11.6256 -11.6256 -11.6239 -11.6239 -10.5939 -10.5939 -10.5900 -10.5900 -10.5889 -10.5889 -9.2000 -9.2000 2.0315 2.0315 5.1487 5.1487 5.2169 5.2169 5.3298 5.3298 8.1330 8.1330 8.3842 8.3842 9.0334 9.0334 9.8440 9.8440 10.4175 10.4175 10.7261 10.7261 10.7716 10.7716 10.9271 10.9271 k = 0.1304 0.1304-0.0000 ( 4268 PWs) bands (ev): -31.9298 -31.9298 -31.8564 -31.8564 -31.8536 -31.8536 -13.3074 -13.3074 -13.2828 -13.2828 -13.0999 -13.0999 -12.9701 -12.9701 -12.8707 -12.8707 -12.8659 -12.8659 -12.7821 -12.7821 -12.6959 -12.6959 -12.6554 -12.6554 -11.6258 -11.6258 -11.6243 -11.6243 -10.5941 -10.5941 -10.5902 -10.5902 -10.5892 -10.5892 -9.2177 -9.2177 2.0079 2.0079 5.1786 5.1786 5.2385 5.2385 5.3353 5.3353 8.2325 8.2325 8.4615 8.4615 9.0766 9.0766 9.8059 9.8059 10.3920 10.3920 10.6359 10.6359 10.7150 10.7150 10.8605 10.8605 k = 0.1196 0.1196-0.0000 ( 4263 PWs) bands (ev): -31.9307 -31.9307 -31.8557 -31.8557 -31.8534 -31.8534 -13.3058 -13.3058 -13.2852 -13.2852 -13.0995 -13.0995 -12.9670 -12.9670 -12.8704 -12.8704 -12.8662 -12.8662 -12.7817 -12.7817 -12.6896 -12.6896 -12.6543 -12.6543 -11.6260 -11.6260 -11.6247 -11.6247 -10.5943 -10.5943 -10.5903 -10.5903 -10.5895 -10.5895 -9.2344 -9.2344 1.9859 1.9859 5.2067 5.2067 5.2587 5.2587 5.3406 5.3406 8.3328 8.3328 8.5425 8.5425 9.1212 9.1212 9.7703 9.7703 10.3682 10.3682 10.5414 10.5414 10.6628 10.6628 10.7931 10.7931 k = 0.1087 0.1087-0.0000 ( 4279 PWs) bands (ev): -31.9316 -31.9316 -31.8551 -31.8551 -31.8531 -31.8531 -13.3045 -13.3045 -13.2875 -13.2875 -13.0993 -13.0993 -12.9641 -12.9641 -12.8702 -12.8702 -12.8665 -12.8665 -12.7813 -12.7813 -12.6835 -12.6835 -12.6535 -12.6535 -11.6262 -11.6262 -11.6251 -11.6251 -10.5945 -10.5945 -10.5905 -10.5905 -10.5898 -10.5898 -9.2501 -9.2501 1.9655 1.9655 5.2328 5.2328 5.2773 5.2773 5.3455 5.3455 8.4328 8.4328 8.6274 8.6274 9.1671 9.1671 9.7372 9.7372 10.3464 10.3464 10.4452 10.4452 10.6129 10.6129 10.7253 10.7253 k = 0.0978 0.0978-0.0000 ( 4285 PWs) bands (ev): -31.9324 -31.9324 -31.8546 -31.8546 -31.8529 -31.8529 -13.3034 -13.3034 -13.2897 -13.2897 -13.0993 -13.0993 -12.9613 -12.9613 -12.8699 -12.8699 -12.8668 -12.8668 -12.7809 -12.7809 -12.6777 -12.6777 -12.6527 -12.6527 -11.6263 -11.6263 -11.6254 -11.6254 -10.5946 -10.5946 -10.5906 -10.5906 -10.5900 -10.5900 -9.2645 -9.2645 1.9468 1.9468 5.2569 5.2569 5.2944 5.2944 5.3500 5.3500 8.5314 8.5314 8.7163 8.7163 9.2137 9.2137 9.7068 9.7068 10.3263 10.3263 10.3484 10.3484 10.5646 10.5646 10.6579 10.6579 k = 0.0870 0.0870-0.0000 ( 4287 PWs) bands (ev): -31.9331 -31.9331 -31.8541 -31.8541 -31.8528 -31.8528 -13.3025 -13.3025 -13.2916 -13.2916 -13.0995 -13.0995 -12.9587 -12.9587 -12.8696 -12.8696 -12.8670 -12.8670 -12.7804 -12.7804 -12.6722 -12.6722 -12.6519 -12.6519 -11.6265 -11.6265 -11.6258 -11.6258 -10.5948 -10.5948 -10.5907 -10.5907 -10.5903 -10.5903 -9.2777 -9.2777 1.9298 1.9298 5.2786 5.2786 5.3099 5.3099 5.3541 5.3541 8.6279 8.6279 8.8090 8.8090 9.2607 9.2607 9.6793 9.6793 10.2510 10.2510 10.3087 10.3087 10.5175 10.5175 10.5917 10.5917 k = 0.0761 0.0761-0.0000 ( 4287 PWs) bands (ev): -31.9338 -31.9338 -31.8536 -31.8536 -31.8526 -31.8526 -13.3018 -13.3018 -13.2934 -13.2934 -13.0996 -13.0996 -12.9565 -12.9565 -12.8693 -12.8693 -12.8672 -12.8672 -12.7799 -12.7799 -12.6672 -12.6672 -12.6512 -12.6512 -11.6266 -11.6266 -11.6261 -11.6261 -10.5949 -10.5949 -10.5909 -10.5909 -10.5905 -10.5905 -9.2895 -9.2895 1.9146 1.9146 5.2979 5.2979 5.3238 5.3238 5.3580 5.3580 8.7220 8.7220 8.9042 8.9042 9.3073 9.3073 9.6549 9.6549 10.1544 10.1544 10.2927 10.2927 10.4711 10.4711 10.5275 10.5275 k = 0.0652 0.0652-0.0000 ( 4293 PWs) bands (ev): -31.9344 -31.9344 -31.8532 -31.8532 -31.8525 -31.8525 -13.3012 -13.3012 -13.2950 -13.2950 -13.0998 -13.0998 -12.9545 -12.9545 -12.8690 -12.8690 -12.8674 -12.8674 -12.7795 -12.7795 -12.6626 -12.6626 -12.6507 -12.6507 -11.6268 -11.6268 -11.6263 -11.6263 -10.5951 -10.5951 -10.5910 -10.5910 -10.5907 -10.5907 -9.2999 -9.2999 1.9014 1.9014 5.3145 5.3145 5.3362 5.3362 5.3614 5.3614 8.8137 8.8137 9.0003 9.0003 9.3521 9.3521 9.6339 9.6339 10.0590 10.0590 10.2789 10.2789 10.4253 10.4253 10.4663 10.4663 k = 0.0543 0.0543-0.0000 ( 4289 PWs) bands (ev): -31.9348 -31.9348 -31.8529 -31.8529 -31.8524 -31.8524 -13.3007 -13.3007 -13.2964 -13.2964 -13.1000 -13.1000 -12.9527 -12.9527 -12.8687 -12.8687 -12.8675 -12.8675 -12.7791 -12.7791 -12.6586 -12.6586 -12.6502 -12.6502 -11.6269 -11.6269 -11.6266 -11.6266 -10.5952 -10.5952 -10.5910 -10.5910 -10.5908 -10.5908 -9.3088 -9.3088 1.8901 1.8901 5.3282 5.3282 5.3470 5.3470 5.3646 5.3646 8.9029 8.9029 9.0947 9.0947 9.3925 9.3925 9.6176 9.6176 9.9656 9.9656 10.2671 10.2671 10.3802 10.3802 10.4094 10.4094 k = 0.0435 0.0435-0.0000 ( 4299 PWs) bands (ev): -31.9352 -31.9352 -31.8526 -31.8526 -31.8523 -31.8523 -13.3003 -13.3003 -13.2976 -13.2976 -13.1002 -13.1002 -12.9513 -12.9513 -12.8685 -12.8685 -12.8677 -12.8677 -12.7787 -12.7787 -12.6552 -12.6552 -12.6498 -12.6498 -11.6270 -11.6270 -11.6268 -11.6268 -10.5953 -10.5953 -10.5911 -10.5911 -10.5910 -10.5910 -9.3162 -9.3162 1.8807 1.8807 5.3389 5.3389 5.3563 5.3563 5.3676 5.3676 8.9895 8.9895 9.1846 9.1846 9.4242 9.4242 9.6082 9.6082 9.8757 9.8757 10.2574 10.2574 10.3368 10.3368 10.3576 10.3576 k = 0.0326 0.0326-0.0000 ( 4315 PWs) bands (ev): -31.9355 -31.9355 -31.8524 -31.8524 -31.8522 -31.8522 -13.3001 -13.3001 -13.2986 -13.2986 -13.1004 -13.1004 -12.9503 -12.9503 -12.8683 -12.8683 -12.8678 -12.8678 -12.7785 -12.7785 -12.6525 -12.6525 -12.6494 -12.6494 -11.6270 -11.6270 -11.6269 -11.6269 -10.5953 -10.5953 -10.5912 -10.5912 -10.5911 -10.5911 -9.3220 -9.3220 1.8735 1.8735 5.3466 5.3466 5.3639 5.3639 5.3702 5.3702 9.0723 9.0723 9.2666 9.2666 9.4404 9.4404 9.6091 9.6091 9.7914 9.7914 10.2498 10.2498 10.2977 10.2977 10.3123 10.3123 k = 0.0217 0.0217-0.0000 ( 4317 PWs) bands (ev): -31.9358 -31.9358 -31.8522 -31.8522 -31.8522 -31.8522 -13.2999 -13.2999 -13.2992 -13.2992 -13.1005 -13.1005 -12.9495 -12.9495 -12.8682 -12.8682 -12.8679 -12.8679 -12.7783 -12.7783 -12.6506 -12.6506 -12.6492 -12.6492 -11.6271 -11.6271 -11.6270 -11.6270 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3262 -9.3262 1.8682 1.8682 5.3516 5.3516 5.3696 5.3696 5.3724 5.3724 9.1481 9.1481 9.3367 9.3367 9.4373 9.4373 9.6198 9.6198 9.7170 9.7170 10.2444 10.2444 10.2664 10.2664 10.2754 10.2754 k = 0.0109 0.0109-0.0000 ( 4337 PWs) bands (ev): -31.9359 -31.9359 -31.8522 -31.8522 -31.8521 -31.8521 -13.2999 -13.2999 -13.2997 -13.2997 -13.1007 -13.1007 -12.9491 -12.9491 -12.8681 -12.8681 -12.8680 -12.8680 -12.7782 -12.7782 -12.6494 -12.6494 -12.6491 -12.6491 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3287 -9.3287 1.8651 1.8651 5.3544 5.3544 5.3731 5.3731 5.3738 5.3738 9.2091 9.2091 9.3886 9.3886 9.4208 9.4208 9.6324 9.6324 9.6607 9.6607 10.2408 10.2408 10.2459 10.2459 10.2506 10.2506 k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -31.9359 -31.9359 -31.8521 -31.8521 -31.8521 -31.8521 -13.2998 -13.2998 -13.2998 -13.2998 -13.1007 -13.1007 -12.9489 -12.9489 -12.8681 -12.8681 -12.8681 -12.8681 -12.7782 -12.7782 -12.6490 -12.6490 -12.6490 -12.6490 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3296 -9.3296 1.8640 1.8640 5.3552 5.3552 5.3743 5.3743 5.3743 5.3743 9.2354 9.2354 9.4095 9.4095 9.4095 9.4095 9.6379 9.6379 9.6379 9.6379 10.2388 10.2388 10.2388 10.2388 10.2426 10.2426 k = 0.0000 0.0000 0.0000 ( 4337 PWs) bands (ev): -31.9359 -31.9359 -31.8521 -31.8521 -31.8521 -31.8521 -13.2998 -13.2998 -13.2998 -13.2998 -13.1007 -13.1007 -12.9489 -12.9489 -12.8681 -12.8681 -12.8681 -12.8681 -12.7782 -12.7782 -12.6490 -12.6490 -12.6490 -12.6490 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3296 -9.3296 1.8640 1.8640 5.3552 5.3552 5.3743 5.3743 5.3743 5.3743 9.2354 9.2354 9.4095 9.4095 9.4095 9.4095 9.6379 9.6379 9.6379 9.6379 10.2388 10.2388 10.2388 10.2388 10.2426 10.2426 k = 0.0088 0.0088 0.0088 ( 4337 PWs) bands (ev): -31.9359 -31.9359 -31.8521 -31.8521 -31.8521 -31.8521 -13.2999 -13.2999 -13.2997 -13.2997 -13.1007 -13.1007 -12.9491 -12.9491 -12.8681 -12.8681 -12.8681 -12.8681 -12.7782 -12.7782 -12.6494 -12.6494 -12.6491 -12.6491 -11.6271 -11.6271 -11.6271 -11.6271 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3287 -9.3287 1.8651 1.8651 5.3544 5.3544 5.3733 5.3733 5.3736 5.3736 9.2101 9.2101 9.3873 9.3873 9.4215 9.4215 9.6342 9.6342 9.6589 9.6589 10.2426 10.2426 10.2433 10.2433 10.2510 10.2510 k = 0.0175 0.0175 0.0175 ( 4322 PWs) bands (ev): -31.9358 -31.9358 -31.8522 -31.8522 -31.8522 -31.8522 -13.3000 -13.3000 -13.2992 -13.2992 -13.1005 -13.1005 -12.9495 -12.9495 -12.8681 -12.8681 -12.8680 -12.8680 -12.7783 -12.7783 -12.6506 -12.6506 -12.6492 -12.6492 -11.6271 -11.6271 -11.6270 -11.6270 -10.5954 -10.5954 -10.5912 -10.5912 -10.5912 -10.5912 -9.3263 -9.3263 1.8681 1.8681 5.3518 5.3518 5.3704 5.3704 5.3716 5.3716 9.1534 9.1534 9.3358 9.3358 9.4273 9.4273 9.6374 9.6374 9.7069 9.7069 10.2527 10.2527 10.2541 10.2541 10.2777 10.2777 k = 0.0263 0.0263 0.0263 ( 4298 PWs) bands (ev): -31.9355 -31.9355 -31.8523 -31.8523 -31.8523 -31.8523 -13.3002 -13.3002 -13.2984 -13.2984 -13.1004 -13.1004 -12.9502 -12.9502 -12.8681 -12.8681 -12.8679 -12.8679 -12.7784 -12.7784 -12.6525 -12.6525 -12.6493 -12.6493 -11.6271 -11.6271 -11.6269 -11.6269 -10.5953 -10.5953 -10.5912 -10.5912 -10.5911 -10.5911 -9.3222 -9.3222 1.8732 1.8732 5.3475 5.3475 5.3654 5.3654 5.3683 5.3683 9.0850 9.0850 9.2725 9.2725 9.3936 9.3936 9.6680 9.6680 9.7636 9.7636 10.2679 10.2679 10.2738 10.2738 10.3155 10.3155 k = 0.0351 0.0351 0.0351 ( 4301 PWs) bands (ev): -31.9352 -31.9352 -31.8524 -31.8524 -31.8524 -31.8524 -13.3006 -13.3006 -13.2974 -13.2974 -13.1003 -13.1003 -12.9513 -12.9513 -12.8682 -12.8682 -12.8679 -12.8679 -12.7787 -12.7787 -12.6552 -12.6552 -12.6496 -12.6496 -11.6270 -11.6270 -11.6268 -11.6268 -10.5953 -10.5953 -10.5911 -10.5911 -10.5910 -10.5910 -9.3165 -9.3165 1.8804 1.8804 5.3413 5.3413 5.3585 5.3585 5.3638 5.3638 9.0119 9.0119 9.2048 9.2048 9.3269 9.3269 9.7192 9.7192 9.8211 9.8211 10.2898 10.2898 10.3022 10.3022 10.3583 10.3583 k = 0.0439 0.0439 0.0439 ( 4301 PWs) bands (ev): -31.9349 -31.9349 -31.8526 -31.8526 -31.8526 -31.8526 -13.3011 -13.3011 -13.2962 -13.2962 -13.1001 -13.1001 -12.9527 -12.9527 -12.8684 -12.8684 -12.8679 -12.8679 -12.7790 -12.7790 -12.6586 -12.6586 -12.6499 -12.6499 -11.6269 -11.6269 -11.6266 -11.6266 -10.5952 -10.5952 -10.5911 -10.5911 -10.5908 -10.5908 -9.3093 -9.3093 1.8895 1.8895 5.3331 5.3331 5.3497 5.3497 5.3581 5.3581 8.9364 8.9364 9.1357 9.1357 9.2430 9.2430 9.7778 9.7778 9.8760 9.8760 10.3188 10.3188 10.3397 10.3397 10.4028 10.4028 k = 0.0526 0.0526 0.0526 ( 4289 PWs) bands (ev): -31.9344 -31.9344 -31.8528 -31.8528 -31.8528 -31.8528 -13.3017 -13.3017 -13.2946 -13.2946 -13.0998 -13.0998 -12.9544 -12.9544 -12.8685 -12.8685 -12.8678 -12.8678 -12.7794 -12.7794 -12.6626 -12.6626 -12.6502 -12.6502 -11.6268 -11.6268 -11.6263 -11.6263 -10.5951 -10.5951 -10.5910 -10.5910 -10.5907 -10.5907 -9.3005 -9.3005 1.9006 1.9006 5.3230 5.3230 5.3390 5.3390 5.3514 5.3514 8.8595 8.8595 9.0665 9.0665 9.1508 9.1508 9.8371 9.8371 9.9266 9.9266 10.3555 10.3555 10.3865 10.3865 10.4474 10.4474 k = 0.0614 0.0614 0.0614 ( 4289 PWs) bands (ev): -31.9338 -31.9338 -31.8531 -31.8531 -31.8531 -31.8531 -13.3026 -13.3026 -13.2929 -13.2929 -13.0996 -13.0996 -12.9564 -12.9564 -12.8687 -12.8687 -12.8678 -12.8678 -12.7798 -12.7798 -12.6672 -12.6672 -12.6506 -12.6506 -11.6267 -11.6267 -11.6261 -11.6261 -10.5950 -10.5950 -10.5909 -10.5909 -10.5905 -10.5905 -9.2902 -9.2902 1.9136 1.9136 5.3110 5.3110 5.3265 5.3265 5.3436 5.3436 8.7815 8.7815 8.9980 8.9980 9.0551 9.0551 9.8942 9.8942 9.9727 9.9727 10.4000 10.4000 10.4420 10.4420 10.4916 10.4916 k = 0.0702 0.0702 0.0702 ( 4289 PWs) bands (ev): -31.9332 -31.9332 -31.8534 -31.8534 -31.8534 -31.8534 -13.3037 -13.3037 -13.2909 -13.2909 -13.0995 -13.0995 -12.9587 -12.9587 -12.8689 -12.8689 -12.8677 -12.8677 -12.7802 -12.7802 -12.6723 -12.6723 -12.6511 -12.6511 -11.6266 -11.6266 -11.6257 -11.6257 -10.5948 -10.5948 -10.5908 -10.5908 -10.5903 -10.5903 -9.2785 -9.2785 1.9284 1.9284 5.2971 5.2971 5.3122 5.3122 5.3346 5.3346 8.7022 8.7022 8.9305 8.9305 8.9592 8.9592 9.9478 9.9478 10.0147 10.0147 10.4522 10.4522 10.5051 10.5051 10.5357 10.5357 k = 0.0789 0.0789 0.0789 ( 4265 PWs) bands (ev): -31.9325 -31.9325 -31.8537 -31.8537 -31.8537 -31.8537 -13.3050 -13.3050 -13.2886 -13.2886 -13.0993 -13.0993 -12.9612 -12.9612 -12.8690 -12.8690 -12.8675 -12.8675 -12.7806 -12.7806 -12.6777 -12.6777 -12.6516 -12.6516 -11.6264 -11.6264 -11.6254 -11.6254 -10.5947 -10.5947 -10.5906 -10.5906 -10.5900 -10.5900 -9.2654 -9.2654 1.9451 1.9451 5.2815 5.2815 5.2962 5.2962 5.3244 5.3244 8.6212 8.6212 8.8644 8.8644 8.8656 8.8656 9.9977 9.9977 10.0536 10.0536 10.5111 10.5111 10.5744 10.5744 10.5805 10.5805 k = 0.0877 0.0877 0.0877 ( 4265 PWs) bands (ev): -31.9317 -31.9317 -31.8541 -31.8541 -31.8541 -31.8541 -13.3066 -13.3066 -13.2862 -13.2862 -13.0993 -13.0993 -12.9640 -12.9640 -12.8692 -12.8692 -12.8673 -12.8673 -12.7810 -12.7810 -12.6836 -12.6836 -12.6522 -12.6522 -11.6263 -11.6263 -11.6250 -11.6250 -10.5945 -10.5945 -10.5905 -10.5905 -10.5898 -10.5898 -9.2510 -9.2510 1.9636 1.9636 5.2641 5.2641 5.2786 5.2786 5.3129 5.3129 8.5383 8.5383 8.7759 8.7759 8.8000 8.8000 10.0442 10.0442 10.0903 10.0903 10.5748 10.5748 10.6271 10.6271 10.6484 10.6484 k = 0.0965 0.0965 0.0965 ( 4262 PWs) bands (ev): -31.9308 -31.9308 -31.8545 -31.8545 -31.8545 -31.8545 -13.3086 -13.3086 -13.2837 -13.2837 -13.0995 -13.0995 -12.9670 -12.9670 -12.8695 -12.8695 -12.8670 -12.8670 -12.7813 -12.7813 -12.6896 -12.6896 -12.6528 -12.6528 -11.6261 -11.6261 -11.6246 -11.6246 -10.5944 -10.5944 -10.5904 -10.5904 -10.5895 -10.5895 -9.2354 -9.2354 1.9837 1.9837 5.2450 5.2450 5.2594 5.2594 5.3001 5.3001 8.4534 8.4534 8.6915 8.6915 8.7373 8.7373 10.0879 10.0879 10.1259 10.1259 10.6389 10.6389 10.6794 10.6794 10.7258 10.7258 k = 0.1053 0.1053 0.1053 ( 4268 PWs) bands (ev): -31.9299 -31.9299 -31.8549 -31.8549 -31.8549 -31.8549 -13.3110 -13.3110 -13.2809 -13.2809 -13.1000 -13.1000 -12.9701 -12.9701 -12.8698 -12.8698 -12.8667 -12.8667 -12.7815 -12.7815 -12.6958 -12.6958 -12.6534 -12.6534 -11.6260 -11.6260 -11.6242 -11.6242 -10.5942 -10.5942 -10.5902 -10.5902 -10.5892 -10.5892 -9.2185 -9.2185 2.0054 2.0054 5.2245 5.2245 5.2386 5.2386 5.2858 5.2858 8.3668 8.3668 8.6127 8.6127 8.6765 8.6765 10.1297 10.1297 10.1610 10.1610 10.6966 10.6966 10.7433 10.7433 10.8053 10.8053 k = 0.1140 0.1140 0.1140 ( 4274 PWs) bands (ev): -31.9289 -31.9289 -31.8554 -31.8554 -31.8554 -31.8554 -13.3137 -13.3137 -13.2781 -13.2781 -13.1008 -13.1008 -12.9732 -12.9732 -12.8702 -12.8702 -12.8662 -12.8662 -12.7817 -12.7817 -12.7021 -12.7021 -12.6541 -12.6541 -11.6258 -11.6258 -11.6238 -11.6238 -10.5941 -10.5941 -10.5900 -10.5900 -10.5889 -10.5889 -9.2006 -9.2006 2.0287 2.0287 5.2025 5.2025 5.2165 5.2165 5.2701 5.2701 8.2795 8.2795 8.5395 8.5395 8.6177 8.6177 10.1703 10.1703 10.1961 10.1961 10.7485 10.7485 10.8170 10.8170 10.8861 10.8861 k = 0.1228 0.1228 0.1228 ( 4265 PWs) bands (ev): -31.9279 -31.9279 -31.8559 -31.8559 -31.8559 -31.8559 -13.3170 -13.3170 -13.2751 -13.2751 -13.1019 -13.1019 -12.9761 -12.9761 -12.8706 -12.8706 -12.8656 -12.8656 -12.7816 -12.7816 -12.7083 -12.7083 -12.6548 -12.6548 -11.6256 -11.6256 -11.6234 -11.6234 -10.5939 -10.5939 -10.5898 -10.5898 -10.5886 -10.5886 -9.1817 -9.1817 2.0534 2.0534 5.1791 5.1791 5.1931 5.1931 5.2528 5.2528 8.1924 8.1924 8.4715 8.4715 8.5610 8.5610 10.2103 10.2103 10.2317 10.2317 10.7991 10.7991 10.8954 10.8954 10.9674 10.9674 k = 0.1316 0.1316 0.1316 ( 4262 PWs) bands (ev): -31.9268 -31.9268 -31.8564 -31.8564 -31.8564 -31.8564 -13.3208 -13.3208 -13.2721 -13.2721 -13.1036 -13.1036 -12.9787 -12.9787 -12.8712 -12.8712 -12.8649 -12.8649 -12.7814 -12.7814 -12.7144 -12.7144 -12.6554 -12.6554 -11.6255 -11.6255 -11.6230 -11.6230 -10.5938 -10.5938 -10.5896 -10.5896 -10.5883 -10.5883 -9.1617 -9.1617 2.0794 2.0794 5.1545 5.1545 5.1684 5.1684 5.2338 5.2338 8.1065 8.1065 8.4081 8.4081 8.5065 8.5065 10.2502 10.2502 10.2680 10.2680 10.8505 10.8505 10.9756 10.9756 11.0483 11.0483 k = 0.1404 0.1404 0.1404 ( 4262 PWs) bands (ev): -31.9256 -31.9256 -31.8570 -31.8570 -31.8570 -31.8570 -13.3253 -13.3253 -13.2690 -13.2690 -13.1058 -13.1058 -12.9809 -12.9809 -12.8720 -12.8720 -12.8642 -12.8642 -12.7811 -12.7811 -12.7202 -12.7202 -12.6561 -12.6561 -11.6253 -11.6253 -11.6225 -11.6225 -10.5936 -10.5936 -10.5894 -10.5894 -10.5879 -10.5879 -9.1410 -9.1410 2.1066 2.1066 5.1288 5.1288 5.1426 5.1426 5.2132 5.2132 8.0230 8.0230 8.3488 8.3488 8.4542 8.4542 10.2902 10.2902 10.3051 10.3051 10.9033 10.9033 11.0562 11.0562 11.1284 11.1284 k = 0.1491 0.1491 0.1491 ( 4262 PWs) bands (ev): -31.9243 -31.9243 -31.8576 -31.8576 -31.8576 -31.8576 -13.3304 -13.3304 -13.2659 -13.2659 -13.1087 -13.1087 -12.9827 -12.9827 -12.8729 -12.8729 -12.8632 -12.8632 -12.7805 -12.7805 -12.7258 -12.7258 -12.6568 -12.6568 -11.6251 -11.6251 -11.6221 -11.6221 -10.5935 -10.5935 -10.5892 -10.5892 -10.5876 -10.5876 -9.1194 -9.1194 2.1350 2.1350 5.1020 5.1020 5.1158 5.1158 5.1908 5.1908 7.9425 7.9425 8.2932 8.2932 8.4042 8.4042 10.3306 10.3306 10.3431 10.3431 10.9576 10.9576 11.1363 11.1363 11.2068 11.2068 k = 0.1579 0.1579 0.1579 ( 4268 PWs) bands (ev): -31.9230 -31.9230 -31.8582 -31.8582 -31.8582 -31.8582 -13.3361 -13.3361 -13.2629 -13.2629 -13.1122 -13.1122 -12.9838 -12.9838 -12.8740 -12.8740 -12.8620 -12.8620 -12.7798 -12.7798 -12.7310 -12.7310 -12.6574 -12.6574 -11.6249 -11.6249 -11.6217 -11.6217 -10.5933 -10.5933 -10.5890 -10.5890 -10.5873 -10.5873 -9.0972 -9.0972 2.1643 2.1643 5.0742 5.0742 5.0880 5.0880 5.1667 5.1667 7.8658 7.8658 8.2410 8.2410 8.3564 8.3564 10.3714 10.3714 10.3820 10.3820 11.0135 11.0135 11.2149 11.2149 11.2830 11.2830 k = 0.1667 0.1667 0.1667 ( 4289 PWs) bands (ev): -31.9217 -31.9217 -31.8588 -31.8588 -31.8588 -31.8588 -13.3427 -13.3427 -13.2599 -13.2599 -13.1165 -13.1165 -12.9842 -12.9842 -12.8754 -12.8754 -12.8607 -12.8607 -12.7787 -12.7787 -12.7360 -12.7360 -12.6581 -12.6581 -11.6247 -11.6247 -11.6213 -11.6213 -10.5932 -10.5932 -10.5888 -10.5888 -10.5870 -10.5870 -9.0743 -9.0743 2.1945 2.1945 5.0456 5.0456 5.0594 5.0594 5.1408 5.1408 7.7932 7.7932 8.1919 8.1919 8.3109 8.3109 10.4128 10.4128 10.4218 10.4218 11.0710 11.0710 11.2912 11.2912 11.3563 11.3563 k = 0.1754 0.1754 0.1754 ( 4268 PWs) bands (ev): -31.9203 -31.9203 -31.8595 -31.8595 -31.8595 -31.8595 -13.3499 -13.3499 -13.2569 -13.2569 -13.1212 -13.1212 -12.9838 -12.9838 -12.8771 -12.8771 -12.8592 -12.8592 -12.7774 -12.7774 -12.7403 -12.7403 -12.6587 -12.6587 -11.6246 -11.6246 -11.6210 -11.6210 -10.5931 -10.5931 -10.5886 -10.5886 -10.5867 -10.5867 -9.0509 -9.0509 2.2255 2.2255 5.0162 5.0162 5.0300 5.0300 5.1132 5.1132 7.7253 7.7253 8.1458 8.1458 8.2678 8.2678 10.4548 10.4548 10.4625 10.4625 11.1301 11.1301 11.3648 11.3648 11.4263 11.4263 k = 0.1842 0.1842 0.1842 ( 4262 PWs) bands (ev): -31.9189 -31.9189 -31.8601 -31.8601 -31.8601 -31.8601 -13.3580 -13.3580 -13.2540 -13.2540 -13.1265 -13.1265 -12.9828 -12.9828 -12.8790 -12.8790 -12.8574 -12.8574 -12.7757 -12.7757 -12.7443 -12.7443 -12.6593 -12.6593 -11.6244 -11.6244 -11.6206 -11.6206 -10.5930 -10.5930 -10.5884 -10.5884 -10.5864 -10.5864 -9.0271 -9.0271 2.2570 2.2570 4.9862 4.9862 5.0000 5.0000 5.0838 5.0838 7.6623 7.6623 8.1026 8.1026 8.2270 8.2270 10.4973 10.4973 10.5038 10.5038 11.1902 11.1902 11.4345 11.4345 11.4919 11.4919 k = 0.1930 0.1930 0.1930 ( 4269 PWs) bands (ev): -31.9175 -31.9175 -31.8608 -31.8608 -31.8608 -31.8608 -13.3669 -13.3669 -13.2513 -13.2513 -13.1322 -13.1322 -12.9811 -12.9811 -12.8812 -12.8812 -12.8554 -12.8554 -12.7738 -12.7738 -12.7479 -12.7479 -12.6599 -12.6599 -11.6243 -11.6243 -11.6203 -11.6203 -10.5930 -10.5930 -10.5882 -10.5882 -10.5862 -10.5862 -9.0029 -9.0029 2.2890 2.2890 4.9557 4.9557 4.9695 4.9695 5.0527 5.0527 7.6044 7.6044 8.0621 8.0621 8.1885 8.1885 10.5400 10.5400 10.5456 10.5456 11.2509 11.2509 11.4996 11.4996 11.5526 11.5526 k = 0.2018 0.2018 0.2018 ( 4269 PWs) bands (ev): -31.9160 -31.9160 -31.8615 -31.8615 -31.8615 -31.8615 -13.3766 -13.3766 -13.2487 -13.2487 -13.1382 -13.1382 -12.9789 -12.9789 -12.8838 -12.8838 -12.8532 -12.8532 -12.7716 -12.7716 -12.7510 -12.7510 -12.6604 -12.6604 -11.6241 -11.6241 -11.6200 -11.6200 -10.5929 -10.5929 -10.5881 -10.5881 -10.5859 -10.5859 -8.9783 -8.9783 2.3212 2.3212 4.9247 4.9247 4.9385 4.9385 5.0201 5.0201 7.5519 7.5519 8.0243 8.0243 8.1524 8.1524 10.5829 10.5829 10.5877 10.5877 11.3116 11.3116 11.5595 11.5595 11.6077 11.6077 k = 0.2105 0.2105 0.2105 ( 4281 PWs) bands (ev): -31.9145 -31.9145 -31.8622 -31.8622 -31.8622 -31.8622 -13.3871 -13.3871 -13.2463 -13.2463 -13.1443 -13.1443 -12.9762 -12.9762 -12.8866 -12.8866 -12.8507 -12.8507 -12.7692 -12.7692 -12.7536 -12.7536 -12.6608 -12.6608 -11.6240 -11.6240 -11.6198 -11.6198 -10.5928 -10.5928 -10.5879 -10.5879 -10.5857 -10.5857 -8.9536 -8.9536 2.3536 2.3536 4.8934 4.8934 4.9072 4.9072 4.9860 4.9860 7.5048 7.5048 7.9891 7.9891 8.1186 8.1186 10.6257 10.6257 10.6299 10.6299 11.3709 11.3709 11.6131 11.6131 11.6564 11.6564 k = 0.2193 0.2193 0.2193 ( 4287 PWs) bands (ev): -31.9129 -31.9129 -31.8629 -31.8629 -31.8629 -31.8629 -13.3984 -13.3984 -13.2440 -13.2440 -13.1504 -13.1504 -12.9730 -12.9730 -12.8897 -12.8897 -12.8480 -12.8480 -12.7664 -12.7664 -12.7558 -12.7558 -12.6613 -12.6613 -11.6239 -11.6239 -11.6196 -11.6196 -10.5928 -10.5928 -10.5878 -10.5878 -10.5855 -10.5855 -8.9288 -8.9288 2.3860 2.3860 4.8618 4.8618 4.8757 4.8757 4.9506 4.9506 7.4631 7.4631 7.9565 7.9565 8.0871 8.0871 10.6682 10.6682 10.6718 10.6718 11.4272 11.4272 11.6600 11.6600 11.6981 11.6981 k = 0.2281 0.2281 0.2281 ( 4293 PWs) bands (ev): -31.9114 -31.9114 -31.8637 -31.8637 -31.8637 -31.8637 -13.4104 -13.4104 -13.2420 -13.2420 -13.1565 -13.1565 -12.9695 -12.9695 -12.8931 -12.8931 -12.8451 -12.8451 -12.7635 -12.7635 -12.7573 -12.7573 -12.6616 -12.6616 -11.6238 -11.6238 -11.6194 -11.6194 -10.5928 -10.5928 -10.5876 -10.5876 -10.5853 -10.5853 -8.9039 -8.9039 2.4182 2.4182 4.8300 4.8300 4.8440 4.8440 4.9141 4.9141 7.4269 7.4269 7.9264 7.9264 8.0580 8.0580 10.7100 10.7100 10.7131 10.7131 11.4773 11.4773 11.6994 11.6994 11.7324 11.7324 k = 0.2368 0.2368 0.2368 ( 4293 PWs) bands (ev): -31.9098 -31.9098 -31.8644 -31.8644 -31.8644 -31.8644 -13.4230 -13.4230 -13.2402 -13.2402 -13.1624 -13.1624 -12.9657 -12.9657 -12.8966 -12.8966 -12.8419 -12.8419 -12.7613 -12.7613 -12.7576 -12.7576 -12.6619 -12.6619 -11.6237 -11.6237 -11.6193 -11.6193 -10.5927 -10.5927 -10.5875 -10.5875 -10.5851 -10.5851 -8.8790 -8.8790 2.4500 2.4500 4.7983 4.7983 4.8123 4.8123 4.8767 4.8767 7.3961 7.3961 7.8988 7.8988 8.0311 8.0311 10.7506 10.7506 10.7534 10.7534 11.5169 11.5169 11.7312 11.7312 11.7591 11.7591 k = 0.2456 0.2456 0.2456 ( 4302 PWs) bands (ev): -31.9083 -31.9083 -31.8651 -31.8651 -31.8651 -31.8651 -13.4362 -13.4362 -13.2386 -13.2386 -13.1682 -13.1682 -12.9617 -12.9617 -12.9003 -12.9003 -12.8385 -12.8385 -12.7612 -12.7612 -12.7551 -12.7551 -12.6622 -12.6622 -11.6236 -11.6236 -11.6192 -11.6192 -10.5927 -10.5927 -10.5874 -10.5874 -10.5850 -10.5850 -8.8542 -8.8542 2.4814 2.4814 4.7665 4.7665 4.7807 4.7807 4.8386 4.8386 7.3706 7.3706 7.8736 7.8736 8.0065 8.0065 10.7896 10.7896 10.7921 10.7921 11.5407 11.5407 11.7552 11.7552 11.7784 11.7784 k = 0.2544 0.2544 0.2544 ( 4302 PWs) bands (ev): -31.9067 -31.9067 -31.8659 -31.8659 -31.8659 -31.8659 -13.4500 -13.4500 -13.2372 -13.2372 -13.1738 -13.1738 -12.9576 -12.9576 -12.9042 -12.9042 -12.8348 -12.8348 -12.7617 -12.7617 -12.7514 -12.7514 -12.6623 -12.6623 -11.6236 -11.6236 -11.6192 -11.6192 -10.5928 -10.5928 -10.5873 -10.5873 -10.5849 -10.5849 -8.8295 -8.8295 2.5121 2.5121 4.7349 4.7349 4.7491 4.7491 4.8002 4.8002 7.3502 7.3502 7.8508 7.8508 7.9840 7.9840 10.8263 10.8263 10.8286 10.8286 11.5455 11.5455 11.7719 11.7719 11.7908 11.7908 k = 0.2632 0.2632 0.2632 ( 4299 PWs) bands (ev): -31.9051 -31.9051 -31.8666 -31.8666 -31.8666 -31.8666 -13.4641 -13.4641 -13.2361 -13.2361 -13.1791 -13.1791 -12.9533 -12.9533 -12.9081 -12.9081 -12.8310 -12.8310 -12.7622 -12.7622 -12.7473 -12.7473 -12.6624 -12.6624 -11.6236 -11.6236 -11.6192 -11.6192 -10.5928 -10.5928 -10.5872 -10.5872 -10.5848 -10.5848 -8.8051 -8.8051 2.5419 2.5419 4.7035 4.7035 4.7179 4.7179 4.7615 4.7615 7.3349 7.3349 7.8304 7.8304 7.9638 7.9638 10.8601 10.8601 10.8622 10.8622 11.5321 11.5321 11.7822 11.7822 11.7974 11.7974 k = 0.2719 0.2719 0.2719 ( 4299 PWs) bands (ev): -31.9035 -31.9035 -31.8673 -31.8673 -31.8673 -31.8673 -13.4785 -13.4785 -13.2352 -13.2352 -13.1842 -13.1842 -12.9490 -12.9490 -12.9121 -12.9121 -12.8269 -12.8269 -12.7624 -12.7624 -12.7430 -12.7430 -12.6625 -12.6625 -11.6235 -11.6235 -11.6192 -11.6192 -10.5928 -10.5928 -10.5872 -10.5872 -10.5848 -10.5848 -8.7810 -8.7810 2.5708 2.5708 4.6723 4.6723 4.6869 4.6869 4.7230 4.7230 7.3244 7.3244 7.8122 7.8122 7.9457 7.9457 10.8900 10.8900 10.8920 10.8920 11.5046 11.5046 11.7875 11.7875 11.7996 11.7996 k = 0.2807 0.2807 0.2807 ( 4299 PWs) bands (ev): -31.9020 -31.9020 -31.8680 -31.8680 -31.8680 -31.8680 -13.4932 -13.4932 -13.2345 -13.2345 -13.1891 -13.1891 -12.9447 -12.9447 -12.9162 -12.9162 -12.8227 -12.8227 -12.7624 -12.7624 -12.7384 -12.7384 -12.6624 -12.6624 -11.6235 -11.6235 -11.6193 -11.6193 -10.5929 -10.5929 -10.5871 -10.5871 -10.5848 -10.5848 -8.7572 -8.7572 2.5985 2.5985 4.6415 4.6415 4.6564 4.6564 4.6849 4.6849 7.3184 7.3184 7.7963 7.7963 7.9297 7.9297 10.9151 10.9151 10.9172 10.9172 11.4674 11.4674 11.7894 11.7894 11.7990 11.7990 k = 0.2895 0.2895 0.2895 ( 4299 PWs) bands (ev): -31.9004 -31.9004 -31.8688 -31.8688 -31.8688 -31.8688 -13.5079 -13.5079 -13.2340 -13.2340 -13.1937 -13.1937 -12.9404 -12.9404 -12.9202 -12.9202 -12.8184 -12.8184 -12.7623 -12.7623 -12.7336 -12.7336 -12.6623 -12.6623 -11.6235 -11.6235 -11.6194 -11.6194 -10.5930 -10.5930 -10.5871 -10.5871 -10.5848 -10.5848 -8.7338 -8.7338 2.6250 2.6250 4.6111 4.6111 4.6263 4.6263 4.6475 4.6475 7.3168 7.3168 7.7825 7.7825 7.9157 7.9157 10.9346 10.9346 10.9367 10.9367 11.4239 11.4239 11.7900 11.7900 11.7974 11.7974 k = 0.2982 0.2982 0.2982 ( 4293 PWs) bands (ev): -31.8989 -31.8989 -31.8695 -31.8695 -31.8695 -31.8695 -13.5228 -13.5228 -13.2337 -13.2337 -13.1980 -13.1980 -12.9362 -12.9362 -12.9242 -12.9242 -12.8140 -12.8140 -12.7620 -12.7620 -12.7287 -12.7287 -12.6620 -12.6620 -11.6236 -11.6236 -11.6196 -11.6196 -10.5931 -10.5931 -10.5871 -10.5871 -10.5848 -10.5848 -8.7109 -8.7109 2.6501 2.6501 4.5812 4.5812 4.5969 4.5969 4.6111 4.6111 7.3193 7.3193 7.7710 7.7710 7.9037 7.9037 10.9475 10.9475 10.9498 10.9498 11.3761 11.3761 11.7909 11.7909 11.7966 11.7966 k = 0.3070 0.3070 0.3070 ( 4302 PWs) bands (ev): -31.8974 -31.8974 -31.8702 -31.8702 -31.8702 -31.8702 -13.5375 -13.5375 -13.2336 -13.2336 -13.2022 -13.2022 -12.9323 -12.9323 -12.9281 -12.9281 -12.8095 -12.8095 -12.7616 -12.7616 -12.7238 -12.7238 -12.6617 -12.6617 -11.6236 -11.6236 -11.6198 -11.6198 -10.5932 -10.5932 -10.5871 -10.5871 -10.5848 -10.5848 -8.6886 -8.6886 2.6737 2.6737 4.5516 4.5516 4.5680 4.5680 4.5759 4.5759 7.3256 7.3256 7.7615 7.7615 7.8935 7.8935 10.9532 10.9532 10.9556 10.9556 11.3255 11.3255 11.7937 11.7937 11.7979 11.7979 k = 0.3158 0.3158 0.3158 ( 4308 PWs) bands (ev): -31.8960 -31.8960 -31.8709 -31.8709 -31.8709 -31.8709 -13.5521 -13.5521 -13.2337 -13.2337 -13.2061 -13.2061 -12.9325 -12.9325 -12.9278 -12.9278 -12.8050 -12.8050 -12.7610 -12.7610 -12.7187 -12.7187 -12.6613 -12.6613 -11.6237 -11.6237 -11.6200 -11.6200 -10.5934 -10.5934 -10.5871 -10.5871 -10.5849 -10.5849 -8.6669 -8.6669 2.6957 2.6957 4.5225 4.5225 4.5400 4.5400 4.5424 4.5424 7.3354 7.3354 7.7541 7.7541 7.8851 7.8851 10.9513 10.9513 10.9540 10.9540 11.2730 11.2730 11.7995 11.7995 11.8025 11.8025 k = 0.3246 0.3246 0.3246 ( 4302 PWs) bands (ev): -31.8945 -31.8945 -31.8715 -31.8715 -31.8715 -31.8715 -13.5665 -13.5665 -13.2340 -13.2340 -13.2098 -13.2098 -12.9362 -12.9362 -12.9240 -12.9240 -12.8005 -12.8005 -12.7603 -12.7603 -12.7136 -12.7136 -12.6608 -12.6608 -11.6237 -11.6237 -11.6203 -11.6203 -10.5935 -10.5935 -10.5871 -10.5871 -10.5850 -10.5850 -8.6457 -8.6457 2.7161 2.7161 4.4937 4.4937 4.5108 4.5108 4.5127 4.5127 7.3483 7.3483 7.7487 7.7487 7.8785 7.8785 10.9420 10.9420 10.9448 10.9448 11.2192 11.2192 11.8091 11.8091 11.8110 11.8110 k = 0.3333 0.3333 0.3333 ( 4302 PWs) bands (ev): -31.8931 -31.8931 -31.8722 -31.8722 -31.8722 -31.8722 -13.5806 -13.5806 -13.2343 -13.2343 -13.2133 -13.2133 -12.9399 -12.9399 -12.9203 -12.9203 -12.7959 -12.7959 -12.7596 -12.7596 -12.7085 -12.7085 -12.6603 -12.6603 -11.6238 -11.6238 -11.6206 -11.6206 -10.5937 -10.5937 -10.5871 -10.5871 -10.5851 -10.5851 -8.6253 -8.6253 2.7347 2.7347 4.4652 4.4652 4.4813 4.4813 4.4862 4.4862 7.3641 7.3641 7.7453 7.7453 7.8735 7.8735 10.9257 10.9257 10.9287 10.9287 11.1646 11.1646 11.8225 11.8225 11.8235 11.8235 k = 0.3421 0.3421 0.3421 ( 4302 PWs) bands (ev): -31.8918 -31.8918 -31.8728 -31.8728 -31.8728 -31.8728 -13.5943 -13.5943 -13.2348 -13.2348 -13.2166 -13.2166 -12.9435 -12.9435 -12.9168 -12.9168 -12.7915 -12.7915 -12.7588 -12.7588 -12.7033 -12.7033 -12.6597 -12.6597 -11.6239 -11.6239 -11.6209 -11.6209 -10.5939 -10.5939 -10.5872 -10.5872 -10.5852 -10.5852 -8.6057 -8.6057 2.7517 2.7517 4.4374 4.4374 4.4539 4.4539 4.4607 4.4607 7.3823 7.3823 7.7438 7.7438 7.8700 7.8700 10.9033 10.9033 10.9065 10.9065 11.1097 11.1097 11.8393 11.8393 11.8395 11.8395 k = 0.3509 0.3509 0.3509 ( 4299 PWs) bands (ev): -31.8905 -31.8905 -31.8734 -31.8734 -31.8734 -31.8734 -13.6077 -13.6077 -13.2354 -13.2354 -13.2198 -13.2198 -12.9470 -12.9470 -12.9134 -12.9134 -12.7871 -12.7871 -12.7579 -12.7579 -12.6983 -12.6983 -12.6590 -12.6590 -11.6240 -11.6240 -11.6212 -11.6212 -10.5941 -10.5941 -10.5872 -10.5872 -10.5854 -10.5854 -8.5868 -8.5868 2.7668 2.7668 4.4106 4.4106 4.4282 4.4282 4.4363 4.4363 7.4025 7.4025 7.7443 7.7443 7.8679 7.8679 10.8759 10.8759 10.8791 10.8791 11.0547 11.0547 11.8585 11.8585 11.8589 11.8589 k = 0.3596 0.3596 0.3596 ( 4293 PWs) bands (ev): -31.8893 -31.8893 -31.8740 -31.8740 -31.8740 -31.8740 -13.6205 -13.6205 -13.2361 -13.2361 -13.2227 -13.2227 -12.9503 -12.9503 -12.9101 -12.9101 -12.7829 -12.7829 -12.7570 -12.7570 -12.6933 -12.6933 -12.6583 -12.6583 -11.6241 -11.6241 -11.6216 -11.6216 -10.5943 -10.5943 -10.5872 -10.5872 -10.5855 -10.5855 -8.5687 -8.5687 2.7803 2.7803 4.3853 4.3853 4.4041 4.4041 4.4128 4.4128 7.4243 7.4243 7.7466 7.7466 7.8671 7.8671 10.8445 10.8445 10.8478 10.8478 10.9999 10.9999 11.8796 11.8796 11.8807 11.8807 k = 0.3684 0.3684 0.3684 ( 4293 PWs) bands (ev): -31.8881 -31.8881 -31.8745 -31.8745 -31.8745 -31.8745 -13.6328 -13.6328 -13.2368 -13.2368 -13.2254 -13.2254 -12.9535 -12.9535 -12.9071 -12.9071 -12.7788 -12.7788 -12.7561 -12.7561 -12.6884 -12.6884 -12.6575 -12.6575 -11.6242 -11.6242 -11.6219 -11.6219 -10.5945 -10.5945 -10.5872 -10.5872 -10.5857 -10.5857 -8.5516 -8.5516 2.7921 2.7921 4.3615 4.3615 4.3815 4.3815 4.3905 4.3905 7.4472 7.4472 7.7508 7.7508 7.8675 7.8675 10.8104 10.8104 10.8137 10.8137 10.9457 10.9457 11.9020 11.9020 11.9037 11.9037 k = 0.3772 0.3772 0.3772 ( 4311 PWs) bands (ev): -31.8869 -31.8869 -31.8750 -31.8750 -31.8750 -31.8750 -13.6446 -13.6446 -13.2377 -13.2377 -13.2280 -13.2280 -12.9565 -12.9565 -12.9043 -12.9043 -12.7749 -12.7749 -12.7552 -12.7552 -12.6837 -12.6837 -12.6567 -12.6567 -11.6244 -11.6244 -11.6223 -11.6223 -10.5948 -10.5948 -10.5873 -10.5873 -10.5859 -10.5859 -8.5353 -8.5353 2.8023 2.8023 4.3396 4.3396 4.3602 4.3602 4.3694 4.3694 7.4707 7.4707 7.7569 7.7569 7.8689 7.8689 10.7745 10.7745 10.7777 10.7777 10.8924 10.8924 11.9251 11.9251 11.9273 11.9273 k = 0.3860 0.3860 0.3860 ( 4299 PWs) bands (ev): -31.8859 -31.8859 -31.8755 -31.8755 -31.8755 -31.8755 -13.6557 -13.6557 -13.2385 -13.2385 -13.2304 -13.2304 -12.9593 -12.9593 -12.9017 -12.9017 -12.7712 -12.7712 -12.7542 -12.7542 -12.6791 -12.6791 -12.6557 -12.6557 -11.6245 -11.6245 -11.6227 -11.6227 -10.5950 -10.5950 -10.5873 -10.5873 -10.5861 -10.5861 -8.5200 -8.5200 2.8109 2.8109 4.3194 4.3194 4.3404 4.3404 4.3495 4.3495 7.4942 7.4942 7.7648 7.7648 7.8712 7.8712 10.7378 10.7378 10.7409 10.7409 10.8403 10.8403 11.9482 11.9482 11.9508 11.9508 k = 0.3947 0.3947 0.3947 ( 4293 PWs) bands (ev): -31.8848 -31.8848 -31.8760 -31.8760 -31.8760 -31.8760 -13.6661 -13.6661 -13.2393 -13.2393 -13.2326 -13.2326 -12.9620 -12.9620 -12.8992 -12.8992 -12.7677 -12.7677 -12.7533 -12.7533 -12.6748 -12.6748 -12.6548 -12.6548 -11.6246 -11.6246 -11.6230 -11.6230 -10.5952 -10.5952 -10.5873 -10.5873 -10.5862 -10.5862 -8.5057 -8.5057 2.8182 2.8182 4.3010 4.3010 4.3220 4.3220 4.3309 4.3309 7.5173 7.5173 7.7746 7.7746 7.8742 7.8742 10.7010 10.7010 10.7039 10.7039 10.7897 10.7897 11.9707 11.9707 11.9738 11.9738 k = 0.4035 0.4035 0.4035 ( 4281 PWs) bands (ev): -31.8839 -31.8839 -31.8764 -31.8764 -31.8764 -31.8764 -13.6758 -13.6758 -13.2401 -13.2401 -13.2346 -13.2346 -12.9644 -12.9644 -12.8969 -12.8969 -12.7644 -12.7644 -12.7524 -12.7524 -12.6706 -12.6706 -12.6539 -12.6539 -11.6247 -11.6247 -11.6234 -11.6234 -10.5954 -10.5954 -10.5874 -10.5874 -10.5864 -10.5864 -8.4924 -8.4924 2.8242 2.8242 4.2843 4.2843 4.3050 4.3050 4.3136 4.3136 7.5393 7.5393 7.7861 7.7861 7.8778 7.8778 10.6649 10.6649 10.6676 10.6676 10.7410 10.7410 11.9922 11.9922 11.9957 11.9957 k = 0.4123 0.4123 0.4123 ( 4284 PWs) bands (ev): -31.8830 -31.8830 -31.8768 -31.8768 -31.8768 -31.8768 -13.6847 -13.6847 -13.2409 -13.2409 -13.2364 -13.2364 -12.9667 -12.9667 -12.8949 -12.8949 -12.7615 -12.7615 -12.7516 -12.7516 -12.6668 -12.6668 -12.6529 -12.6529 -11.6249 -11.6249 -11.6237 -11.6237 -10.5956 -10.5956 -10.5874 -10.5874 -10.5866 -10.5866 -8.4802 -8.4802 2.8290 2.8290 4.2693 4.2693 4.2896 4.2896 4.2976 4.2976 7.5599 7.5599 7.7992 7.7992 7.8817 7.8817 10.6301 10.6301 10.6326 10.6326 10.6946 10.6946 12.0123 12.0123 12.0161 12.0161 k = 0.4211 0.4211 0.4211 ( 4296 PWs) bands (ev): -31.8823 -31.8823 -31.8772 -31.8772 -31.8772 -31.8772 -13.6930 -13.6930 -13.2417 -13.2417 -13.2382 -13.2382 -12.9688 -12.9688 -12.8931 -12.8931 -12.7588 -12.7588 -12.7508 -12.7508 -12.6633 -12.6633 -12.6520 -12.6520 -11.6250 -11.6250 -11.6240 -11.6240 -10.5958 -10.5958 -10.5874 -10.5874 -10.5867 -10.5867 -8.4691 -8.4691 2.8328 2.8328 4.2559 4.2559 4.2757 4.2757 4.2831 4.2831 7.5787 7.5787 7.8135 7.8135 7.8860 7.8860 10.5971 10.5971 10.5993 10.5993 10.6507 10.6507 12.0307 12.0307 12.0349 12.0349 k = 0.4298 0.4298 0.4298 ( 4296 PWs) bands (ev): -31.8816 -31.8816 -31.8775 -31.8775 -31.8775 -31.8775 -13.7004 -13.7004 -13.2424 -13.2424 -13.2397 -13.2397 -12.9706 -12.9706 -12.8914 -12.8914 -12.7564 -12.7564 -12.7501 -12.7501 -12.6600 -12.6600 -12.6512 -12.6512 -11.6251 -11.6251 -11.6243 -11.6243 -10.5960 -10.5960 -10.5874 -10.5874 -10.5869 -10.5869 -8.4590 -8.4590 2.8357 2.8357 4.2439 4.2439 4.2635 4.2635 4.2700 4.2700 7.5954 7.5954 7.8288 7.8288 7.8903 7.8903 10.5664 10.5664 10.5682 10.5682 10.6100 10.6100 12.0474 12.0474 12.0519 12.0519 k = 0.4386 0.4386 0.4386 ( 4290 PWs) bands (ev): -31.8809 -31.8809 -31.8778 -31.8778 -31.8778 -31.8778 -13.7070 -13.7070 -13.2431 -13.2431 -13.2411 -13.2411 -12.9723 -12.9723 -12.8900 -12.8900 -12.7542 -12.7542 -12.7494 -12.7494 -12.6571 -12.6571 -12.6503 -12.6503 -11.6252 -11.6252 -11.6246 -11.6246 -10.5962 -10.5962 -10.5874 -10.5874 -10.5870 -10.5870 -8.4501 -8.4501 2.8379 2.8379 4.2334 4.2334 4.2528 4.2528 4.2584 4.2584 7.6100 7.6100 7.8444 7.8444 7.8946 7.8946 10.5384 10.5384 10.5399 10.5399 10.5727 10.5727 12.0622 12.0622 12.0669 12.0669 k = 0.4474 0.4474 0.4474 ( 4290 PWs) bands (ev): -31.8804 -31.8804 -31.8781 -31.8781 -31.8781 -31.8781 -13.7128 -13.7128 -13.2437 -13.2437 -13.2422 -13.2422 -12.9737 -12.9737 -12.8887 -12.8887 -12.7523 -12.7523 -12.7489 -12.7489 -12.6545 -12.6545 -12.6495 -12.6495 -11.6253 -11.6253 -11.6248 -11.6248 -10.5964 -10.5964 -10.5875 -10.5875 -10.5871 -10.5871 -8.4424 -8.4424 2.8395 2.8395 4.2243 4.2243 4.2437 4.2437 4.2482 4.2482 7.6225 7.6225 7.8597 7.8597 7.8987 7.8987 10.5134 10.5134 10.5146 10.5146 10.5393 10.5393 12.0750 12.0750 12.0799 12.0799 k = 0.4561 0.4561 0.4561 ( 4263 PWs) bands (ev): -31.8799 -31.8799 -31.8783 -31.8783 -31.8783 -31.8783 -13.7177 -13.7177 -13.2441 -13.2441 -13.2431 -13.2431 -12.9749 -12.9749 -12.8876 -12.8876 -12.7507 -12.7507 -12.7483 -12.7483 -12.6522 -12.6522 -12.6488 -12.6488 -11.6253 -11.6253 -11.6250 -11.6250 -10.5965 -10.5965 -10.5875 -10.5875 -10.5873 -10.5873 -8.4358 -8.4358 2.8406 2.8406 4.2165 4.2165 4.2362 4.2362 4.2396 4.2396 7.6328 7.6328 7.8740 7.8740 7.9024 7.9024 10.4917 10.4917 10.4927 10.4927 10.5102 10.5102 12.0858 12.0858 12.0908 12.0909 k = 0.4649 0.4649 0.4649 ( 4260 PWs) bands (ev): -31.8795 -31.8795 -31.8785 -31.8785 -31.8785 -31.8785 -13.7217 -13.7217 -13.2446 -13.2446 -13.2439 -13.2439 -12.9759 -12.9759 -12.8867 -12.8867 -12.7494 -12.7494 -12.7479 -12.7479 -12.6504 -12.6504 -12.6482 -12.6482 -11.6254 -11.6254 -11.6252 -11.6252 -10.5966 -10.5966 -10.5875 -10.5875 -10.5873 -10.5873 -8.4303 -8.4303 2.8414 2.8414 4.2101 4.2101 4.2302 4.2302 4.2325 4.2325 7.6411 7.6411 7.8867 7.8867 7.9056 7.9056 10.4737 10.4737 10.4744 10.4744 10.4858 10.4858 12.0946 12.0973 12.0996 12.1272 k = 0.4737 0.4737 0.4737 ( 4266 PWs) bands (ev): -31.8792 -31.8792 -31.8786 -31.8786 -31.8786 -31.8786 -13.7249 -13.7249 -13.2449 -13.2449 -13.2446 -13.2446 -12.9766 -12.9766 -12.8861 -12.8861 -12.7484 -12.7484 -12.7476 -12.7476 -12.6490 -12.6490 -12.6478 -12.6478 -11.6255 -11.6255 -11.6253 -11.6253 -10.5967 -10.5967 -10.5875 -10.5875 -10.5874 -10.5874 -8.4261 -8.4261 2.8419 2.8419 4.2050 4.2050 4.2256 4.2256 4.2270 4.2270 7.6475 7.6475 7.8973 7.8973 7.9082 7.9082 10.4594 10.4594 10.4600 10.4600 10.4664 10.4664 12.1015 12.1041 12.1063 12.1144 k = 0.4825 0.4825 0.4825 ( 4272 PWs) bands (ev): -31.8790 -31.8790 -31.8787 -31.8787 -31.8787 -31.8787 -13.7271 -13.7271 -13.2452 -13.2452 -13.2450 -13.2450 -12.9772 -12.9772 -12.8856 -12.8856 -12.7477 -12.7477 -12.7473 -12.7473 -12.6480 -12.6480 -12.6475 -12.6475 -11.6255 -11.6255 -11.6254 -11.6254 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4231 -8.4231 2.8422 2.8422 4.2014 4.2014 4.2224 4.2224 4.2230 4.2230 7.6520 7.6520 7.9052 7.9052 7.9102 7.9102 10.4491 10.4491 10.4495 10.4495 10.4523 10.4523 12.1063 12.1069 12.1101 12.1166 k = 0.4912 0.4912 0.4912 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7285 -13.7285 -13.2453 -13.2453 -13.2453 -13.2453 -12.9775 -12.9775 -12.8853 -12.8853 -12.7473 -12.7473 -12.7472 -12.7472 -12.6474 -12.6474 -12.6472 -12.6472 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4213 -8.4213 2.8423 2.8423 4.1992 4.1992 4.2205 4.2205 4.2206 4.2206 7.6547 7.6547 7.9101 7.9101 7.9114 7.9114 10.4429 10.4429 10.4432 10.4432 10.4438 10.4438 12.1092 12.1103 12.1118 12.1142 k = 0.5000 0.5000 0.5000 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7289 -13.7289 -13.2454 -13.2454 -13.2454 -13.2454 -12.9776 -12.9776 -12.8852 -12.8852 -12.7472 -12.7472 -12.7472 -12.7472 -12.6472 -12.6472 -12.6472 -12.6472 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4207 -8.4207 2.8424 2.8424 4.1985 4.1985 4.2199 4.2199 4.2199 4.2199 7.6556 7.6556 7.9118 7.9118 7.9118 7.9118 10.4407 10.4407 10.4411 10.4411 10.4411 10.4411 12.1101 12.1101 12.1116 12.1174 k = 0.5000 0.5000 0.5000 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7289 -13.7289 -13.2454 -13.2454 -13.2454 -13.2454 -12.9776 -12.9776 -12.8852 -12.8852 -12.7472 -12.7472 -12.7472 -12.7472 -12.6472 -12.6472 -12.6472 -12.6472 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4207 -8.4207 2.8424 2.8424 4.1985 4.1985 4.2199 4.2199 4.2199 4.2199 7.6556 7.6556 7.9118 7.9118 7.9118 7.9118 10.4407 10.4407 10.4411 10.4411 10.4411 10.4411 12.1101 12.1101 12.1122 12.1185 k = 0.4891 0.5000 0.4891 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7285 -13.7285 -13.2453 -13.2453 -13.2453 -13.2453 -12.9775 -12.9775 -12.8853 -12.8853 -12.7473 -12.7473 -12.7472 -12.7472 -12.6474 -12.6474 -12.6473 -12.6473 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4213 -8.4213 2.8423 2.8423 4.1992 4.1992 4.2203 4.2203 4.2209 4.2209 7.6547 7.6547 7.9099 7.9099 7.9116 7.9116 10.4425 10.4425 10.4434 10.4434 10.4441 10.4441 12.1092 12.1099 12.1138 12.1175 k = 0.4783 0.5000 0.4783 ( 4272 PWs) bands (ev): -31.8789 -31.8789 -31.8788 -31.8788 -31.8787 -31.8787 -13.7271 -13.7271 -13.2452 -13.2452 -13.2450 -13.2450 -12.9772 -12.9772 -12.8856 -12.8856 -12.7477 -12.7477 -12.7474 -12.7474 -12.6480 -12.6480 -12.6475 -12.6475 -11.6255 -11.6255 -11.6254 -11.6254 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4231 -8.4231 2.8422 2.8422 4.2013 4.2013 4.2217 4.2217 4.2240 4.2240 7.6519 7.6519 7.9044 7.9044 7.9109 7.9109 10.4475 10.4475 10.4506 10.4506 10.4534 10.4534 12.1063 12.1093 12.1137 12.1180 k = 0.4674 0.5000 0.4674 ( 4268 PWs) bands (ev): -31.8791 -31.8791 -31.8788 -31.8788 -31.8785 -31.8785 -13.7248 -13.7248 -13.2450 -13.2450 -13.2445 -13.2445 -12.9766 -12.9766 -12.8861 -12.8861 -12.7484 -12.7484 -12.7476 -12.7476 -12.6490 -12.6490 -12.6479 -12.6479 -11.6255 -11.6255 -11.6253 -11.6253 -10.5967 -10.5967 -10.5875 -10.5875 -10.5874 -10.5874 -8.4262 -8.4262 2.8419 2.8419 4.2044 4.2044 4.2244 4.2244 4.2293 4.2293 7.6472 7.6472 7.8953 7.8953 7.9100 7.9100 10.4558 10.4558 10.4626 10.4626 10.4688 10.4688 12.1014 12.1016 12.1073 12.1119 k = 0.4565 0.5000 0.4565 ( 4264 PWs) bands (ev): -31.8793 -31.8793 -31.8788 -31.8788 -31.8783 -31.8783 -13.7216 -13.7216 -13.2446 -13.2446 -13.2438 -13.2438 -12.9758 -12.9758 -12.8868 -12.8868 -12.7494 -12.7494 -12.7480 -12.7480 -12.6504 -12.6504 -12.6484 -12.6484 -11.6254 -11.6254 -11.6252 -11.6252 -10.5966 -10.5966 -10.5875 -10.5875 -10.5874 -10.5874 -8.4305 -8.4305 2.8414 2.8414 4.2079 4.2079 4.2289 4.2289 4.2367 4.2367 7.6404 7.6404 7.8830 7.8830 7.9091 7.9091 10.4673 10.4673 10.4791 10.4791 10.4899 10.4899 12.0945 12.0948 12.1003 12.1042 k = 0.4457 0.5000 0.4457 ( 4276 PWs) bands (ev): -31.8796 -31.8796 -31.8788 -31.8788 -31.8780 -31.8780 -13.7174 -13.7174 -13.2443 -13.2443 -13.2430 -13.2430 -12.9748 -12.9748 -12.8877 -12.8877 -12.7507 -12.7507 -12.7485 -12.7485 -12.6522 -12.6522 -12.6491 -12.6491 -11.6253 -11.6253 -11.6250 -11.6250 -10.5965 -10.5965 -10.5875 -10.5875 -10.5873 -10.5873 -8.4361 -8.4361 2.8407 2.8407 4.2113 4.2113 4.2357 4.2357 4.2463 4.2463 7.6314 7.6314 7.8677 7.8677 7.9086 7.9086 10.4821 10.4821 10.4998 10.4998 10.5163 10.5163 12.0856 12.0856 12.0919 12.0919 k = 0.4348 0.5000 0.4348 ( 4278 PWs) bands (ev): -31.8800 -31.8800 -31.8788 -31.8788 -31.8777 -31.8777 -13.7124 -13.7124 -13.2438 -13.2438 -13.2419 -13.2419 -12.9736 -12.9736 -12.8888 -12.8888 -12.7523 -12.7523 -12.7491 -12.7491 -12.6543 -12.6543 -12.6499 -12.6499 -11.6252 -11.6252 -11.6248 -11.6248 -10.5963 -10.5963 -10.5874 -10.5874 -10.5872 -10.5872 -8.4427 -8.4427 2.8397 2.8397 4.2145 4.2145 4.2450 4.2450 4.2581 4.2581 7.6201 7.6201 7.8500 7.8500 7.9088 7.9088 10.5001 10.5001 10.5245 10.5245 10.5476 10.5476 12.0748 12.0748 12.0814 12.0815 k = 0.4239 0.5000 0.4239 ( 4282 PWs) bands (ev): -31.8804 -31.8804 -31.8788 -31.8788 -31.8773 -31.8773 -13.7066 -13.7066 -13.2432 -13.2432 -13.2407 -13.2407 -12.9721 -12.9721 -12.8901 -12.8901 -12.7541 -12.7541 -12.7498 -12.7498 -12.6567 -12.6567 -12.6509 -12.6509 -11.6251 -11.6251 -11.6246 -11.6246 -10.5962 -10.5962 -10.5874 -10.5874 -10.5870 -10.5870 -8.4506 -8.4506 2.8384 2.8384 4.2176 4.2176 4.2565 4.2565 4.2720 4.2720 7.6062 7.6062 7.8305 7.8305 7.9099 7.9099 10.5213 10.5213 10.5528 10.5528 10.5831 10.5831 12.0622 12.0622 12.0687 12.0687 k = 0.4130 0.5000 0.4130 ( 4286 PWs) bands (ev): -31.8809 -31.8809 -31.8788 -31.8788 -31.8768 -31.8768 -13.6999 -13.6999 -13.2426 -13.2426 -13.2394 -13.2394 -12.9704 -12.9704 -12.8916 -12.8916 -12.7562 -12.7562 -12.7506 -12.7506 -12.6595 -12.6595 -12.6520 -12.6520 -11.6250 -11.6250 -11.6243 -11.6243 -10.5960 -10.5960 -10.5874 -10.5874 -10.5869 -10.5869 -8.4595 -8.4595 2.8365 2.8365 4.2210 4.2210 4.2699 4.2699 4.2882 4.2882 7.5897 7.5897 7.8097 7.8097 7.9122 7.9122 10.5456 10.5456 10.5842 10.5842 10.6224 10.6224 12.0479 12.0479 12.0536 12.0536 k = 0.4022 0.5000 0.4022 ( 4286 PWs) bands (ev): -31.8815 -31.8815 -31.8788 -31.8788 -31.8763 -31.8763 -13.6923 -13.6923 -13.2419 -13.2419 -13.2378 -13.2378 -12.9685 -12.9685 -12.8933 -12.8933 -12.7586 -12.7586 -12.7515 -12.7515 -12.6625 -12.6625 -12.6532 -12.6532 -11.6249 -11.6249 -11.6240 -11.6240 -10.5958 -10.5958 -10.5874 -10.5874 -10.5867 -10.5867 -8.4696 -8.4696 2.8340 2.8340 4.2247 4.2247 4.2851 4.2851 4.3065 4.3065 7.5704 7.5704 7.7885 7.7885 7.9159 7.9159 10.5730 10.5730 10.6184 10.6184 10.6649 10.6649 12.0318 12.0318 12.0362 12.0362 k = 0.3913 0.5000 0.3913 ( 4278 PWs) bands (ev): -31.8821 -31.8821 -31.8789 -31.8789 -31.8758 -31.8758 -13.6839 -13.6839 -13.2411 -13.2411 -13.2361 -13.2361 -12.9664 -12.9664 -12.8952 -12.8952 -12.7612 -12.7612 -12.7525 -12.7525 -12.6657 -12.6657 -12.6546 -12.6546 -11.6248 -11.6248 -11.6237 -11.6237 -10.5956 -10.5956 -10.5873 -10.5873 -10.5866 -10.5866 -8.4806 -8.4806 2.8309 2.8309 4.2291 4.2291 4.3020 4.3020 4.3267 4.3267 7.5481 7.5481 7.7676 7.7676 7.9211 7.9211 10.6034 10.6034 10.6548 10.6548 10.7100 10.7100 12.0126 12.0126 12.0180 12.0180 k = 0.3804 0.5000 0.3804 ( 4290 PWs) bands (ev): -31.8827 -31.8827 -31.8789 -31.8789 -31.8752 -31.8752 -13.6748 -13.6748 -13.2403 -13.2403 -13.2342 -13.2342 -12.9641 -12.9641 -12.8973 -12.8973 -12.7641 -12.7641 -12.7536 -12.7536 -12.6691 -12.6691 -12.6560 -12.6560 -11.6246 -11.6246 -11.6234 -11.6234 -10.5954 -10.5954 -10.5873 -10.5873 -10.5864 -10.5864 -8.4927 -8.4927 2.8270 2.8270 4.2341 4.2341 4.3205 4.3205 4.3490 4.3490 7.5227 7.5227 7.7479 7.7479 7.9278 7.9278 10.6367 10.6367 10.6928 10.6928 10.7571 10.7571 11.9892 11.9892 11.9999 11.9999 k = 0.3696 0.5000 0.3696 ( 4288 PWs) bands (ev): -31.8834 -31.8834 -31.8789 -31.8789 -31.8745 -31.8745 -13.6650 -13.6650 -13.2394 -13.2394 -13.2322 -13.2322 -12.9615 -12.9615 -12.8996 -12.8996 -12.7672 -12.7672 -12.7548 -12.7548 -12.6727 -12.6727 -12.6576 -12.6576 -11.6244 -11.6244 -11.6231 -11.6231 -10.5951 -10.5951 -10.5872 -10.5872 -10.5863 -10.5863 -8.5057 -8.5057 2.8222 2.8222 4.2399 4.2399 4.3405 4.3405 4.3730 4.3730 7.4941 7.4941 7.7300 7.7300 7.9360 7.9360 10.6730 10.6730 10.7320 10.7320 10.8058 10.8058 11.9624 11.9624 11.9815 11.9815 k = 0.3587 0.5000 0.3587 ( 4298 PWs) bands (ev): -31.8842 -31.8842 -31.8789 -31.8789 -31.8739 -31.8739 -13.6544 -13.6544 -13.2385 -13.2385 -13.2301 -13.2301 -12.9588 -12.9588 -12.9022 -12.9022 -12.7705 -12.7705 -12.7562 -12.7562 -12.6764 -12.6764 -12.6593 -12.6593 -11.6243 -11.6243 -11.6227 -11.6227 -10.5949 -10.5949 -10.5872 -10.5872 -10.5861 -10.5861 -8.5196 -8.5196 2.8165 2.8165 4.2465 4.2465 4.3620 4.3620 4.3988 4.3988 7.4625 7.4625 7.7148 7.7148 7.9457 7.9457 10.7120 10.7120 10.7717 10.7717 10.8556 10.8556 11.9322 11.9322 11.9628 11.9628 k = 0.3478 0.5000 0.3478 ( 4302 PWs) bands (ev): -31.8850 -31.8850 -31.8789 -31.8789 -31.8731 -31.8731 -13.6433 -13.6433 -13.2376 -13.2376 -13.2279 -13.2279 -12.9559 -12.9559 -12.9049 -12.9049 -12.7740 -12.7740 -12.7576 -12.7576 -12.6803 -12.6803 -12.6610 -12.6610 -11.6241 -11.6241 -11.6224 -11.6224 -10.5946 -10.5946 -10.5872 -10.5872 -10.5859 -10.5859 -8.5343 -8.5343 2.8097 2.8097 4.2541 4.2541 4.3849 4.3849 4.4262 4.4262 7.4278 7.4278 7.7025 7.7025 7.9569 7.9569 10.7536 10.7536 10.8113 10.8113 10.9060 10.9060 11.8987 11.8987 11.9439 11.9439 k = 0.3370 0.5000 0.3370 ( 4302 PWs) bands (ev): -31.8858 -31.8858 -31.8789 -31.8789 -31.8724 -31.8724 -13.6314 -13.6314 -13.2367 -13.2367 -13.2255 -13.2255 -12.9528 -12.9528 -12.9078 -12.9078 -12.7777 -12.7777 -12.7591 -12.7591 -12.6841 -12.6841 -12.6628 -12.6628 -11.6239 -11.6239 -11.6220 -11.6220 -10.5944 -10.5944 -10.5871 -10.5871 -10.5857 -10.5857 -8.5498 -8.5498 2.8018 2.8018 4.2627 4.2627 4.4092 4.4092 4.4550 4.4550 7.3905 7.3905 7.6936 7.6936 7.9695 7.9695 10.7979 10.7979 10.8502 10.8502 10.9568 10.9568 11.8620 11.8620 11.9251 11.9251 k = 0.3261 0.5000 0.3261 ( 4306 PWs) bands (ev): -31.8867 -31.8867 -31.8789 -31.8789 -31.8716 -31.8716 -13.6191 -13.6191 -13.2358 -13.2358 -13.2231 -13.2231 -12.9495 -12.9495 -12.9110 -12.9110 -12.7815 -12.7815 -12.7607 -12.7607 -12.6881 -12.6881 -12.6646 -12.6646 -11.6237 -11.6237 -11.6217 -11.6217 -10.5941 -10.5941 -10.5871 -10.5871 -10.5856 -10.5856 -8.5660 -8.5660 2.7927 2.7927 4.2723 4.2723 4.4347 4.4347 4.4853 4.4853 7.3508 7.3508 7.6882 7.6882 7.9835 7.9835 10.8446 10.8446 10.8876 10.8876 11.0075 11.0075 11.8221 11.8221 11.9067 11.9067 k = 0.3152 0.5000 0.3152 ( 4304 PWs) bands (ev): -31.8876 -31.8876 -31.8790 -31.8790 -31.8707 -31.8707 -13.6062 -13.6062 -13.2349 -13.2349 -13.2205 -13.2205 -12.9461 -12.9461 -12.9143 -12.9143 -12.7854 -12.7854 -12.7624 -12.7624 -12.6920 -12.6920 -12.6665 -12.6665 -11.6235 -11.6235 -11.6214 -11.6214 -10.5939 -10.5939 -10.5870 -10.5870 -10.5854 -10.5854 -8.5828 -8.5828 2.7825 2.7825 4.2830 4.2830 4.4615 4.4615 4.5167 4.5167 7.3091 7.3091 7.6865 7.6865 7.9988 7.9988 10.8937 10.8937 10.9229 10.9229 11.0579 11.0579 11.7792 11.7793 11.8889 11.8889 k = 0.3043 0.5000 0.3043 ( 4280 PWs) bands (ev): -31.8885 -31.8885 -31.8790 -31.8790 -31.8699 -31.8699 -13.5928 -13.5928 -13.2340 -13.2340 -13.2178 -13.2178 -12.9424 -12.9424 -12.9177 -12.9177 -12.7894 -12.7894 -12.7641 -12.7641 -12.6960 -12.6960 -12.6683 -12.6683 -11.6233 -11.6233 -11.6211 -11.6211 -10.5936 -10.5936 -10.5870 -10.5870 -10.5853 -10.5853 -8.6001 -8.6001 2.7711 2.7711 4.2946 4.2946 4.4894 4.4894 4.5492 4.5492 7.2656 7.2656 7.6885 7.6885 8.0155 8.0155 10.9449 10.9449 10.9554 10.9554 11.1079 11.1079 11.7337 11.7337 11.8721 11.8721 k = 0.2935 0.5000 0.2935 ( 4280 PWs) bands (ev): -31.8894 -31.8894 -31.8790 -31.8790 -31.8690 -31.8690 -13.5790 -13.5790 -13.2332 -13.2332 -13.2151 -13.2151 -12.9387 -12.9387 -12.9214 -12.9214 -12.7934 -12.7934 -12.7660 -12.7660 -12.6999 -12.6999 -12.6702 -12.6702 -11.6231 -11.6231 -11.6208 -11.6208 -10.5934 -10.5934 -10.5869 -10.5869 -10.5852 -10.5852 -8.6179 -8.6179 2.7586 2.7586 4.3073 4.3073 4.5183 4.5183 4.5827 4.5827 7.2208 7.2208 7.6942 7.6942 8.0334 8.0334 10.9837 10.9837 10.9988 10.9988 11.1571 11.1571 11.6854 11.6854 11.8565 11.8565 k = 0.2826 0.5000 0.2826 ( 4292 PWs) bands (ev): -31.8904 -31.8904 -31.8790 -31.8790 -31.8681 -31.8681 -13.5648 -13.5648 -13.2325 -13.2325 -13.2123 -13.2123 -12.9350 -12.9350 -12.9251 -12.9251 -12.7976 -12.7976 -12.7680 -12.7680 -12.7039 -12.7039 -12.6721 -12.6721 -11.6229 -11.6229 -11.6205 -11.6205 -10.5932 -10.5932 -10.5869 -10.5869 -10.5850 -10.5850 -8.6362 -8.6362 2.7450 2.7450 4.3210 4.3210 4.5483 4.5483 4.6170 4.6170 7.1749 7.1749 7.7036 7.7036 8.0525 8.0525 11.0082 11.0082 11.0542 11.0542 11.2056 11.2056 11.6347 11.6347 11.8424 11.8424 k = 0.2717 0.5000 0.2717 ( 4288 PWs) bands (ev): -31.8914 -31.8914 -31.8790 -31.8790 -31.8672 -31.8672 -13.5504 -13.5504 -13.2318 -13.2318 -13.2093 -13.2093 -12.9315 -12.9315 -12.9286 -12.9286 -12.8017 -12.8017 -12.7700 -12.7700 -12.7079 -12.7079 -12.6740 -12.6740 -11.6227 -11.6227 -11.6203 -11.6203 -10.5929 -10.5929 -10.5868 -10.5868 -10.5849 -10.5849 -8.6547 -8.6547 2.7303 2.7303 4.3355 4.3355 4.5792 4.5792 4.6519 4.6519 7.1281 7.1281 7.7168 7.7168 8.0728 8.0728 11.0278 11.0278 11.1115 11.1115 11.2532 11.2532 11.5821 11.5821 11.8299 11.8299 k = 0.2609 0.5000 0.2609 ( 4288 PWs) bands (ev): -31.8924 -31.8924 -31.8790 -31.8790 -31.8663 -31.8663 -13.5357 -13.5357 -13.2313 -13.2313 -13.2064 -13.2064 -12.9334 -12.9334 -12.9265 -12.9265 -12.8057 -12.8057 -12.7721 -12.7721 -12.7118 -12.7118 -12.6759 -12.6759 -11.6225 -11.6225 -11.6201 -11.6201 -10.5927 -10.5927 -10.5868 -10.5868 -10.5849 -10.5849 -8.6735 -8.6735 2.7147 2.7147 4.3508 4.3508 4.6108 4.6108 4.6873 4.6873 7.0807 7.0807 7.7337 7.7337 8.0943 8.0943 11.0421 11.0421 11.1705 11.1705 11.2998 11.2998 11.5276 11.5276 11.8192 11.8192 k = 0.2500 0.5000 0.2500 ( 4296 PWs) bands (ev): -31.8934 -31.8934 -31.8791 -31.8791 -31.8654 -31.8654 -13.5208 -13.5208 -13.2310 -13.2310 -13.2033 -13.2033 -12.9374 -12.9374 -12.9225 -12.9225 -12.8098 -12.8098 -12.7743 -12.7743 -12.7158 -12.7158 -12.6776 -12.6776 -11.6224 -11.6224 -11.6199 -11.6199 -10.5925 -10.5925 -10.5867 -10.5867 -10.5848 -10.5848 -8.6925 -8.6925 2.6983 2.6983 4.3668 4.3668 4.6433 4.6433 4.7230 4.7230 7.0329 7.0329 7.7542 7.7542 8.1169 8.1169 11.0509 11.0509 11.2312 11.2312 11.3455 11.3455 11.4716 11.4716 11.8103 11.8103 k = 0.2391 0.5000 0.2391 ( 4286 PWs) bands (ev): -31.8944 -31.8944 -31.8791 -31.8791 -31.8644 -31.8644 -13.5058 -13.5058 -13.2308 -13.2308 -13.2002 -13.2002 -12.9413 -12.9413 -12.9183 -12.9183 -12.8139 -12.8139 -12.7764 -12.7764 -12.7196 -12.7196 -12.6793 -12.6793 -11.6222 -11.6222 -11.6197 -11.6197 -10.5923 -10.5923 -10.5867 -10.5867 -10.5848 -10.5848 -8.7115 -8.7115 2.6812 2.6812 4.3834 4.3834 4.6763 4.6763 4.7590 4.7590 6.9848 6.9848 7.7782 7.7782 8.1406 8.1406 11.0541 11.0541 11.2932 11.2932 11.3902 11.3902 11.4145 11.4145 11.8033 11.8033 k = 0.2283 0.5000 0.2283 ( 4290 PWs) bands (ev): -31.8954 -31.8954 -31.8791 -31.8791 -31.8635 -31.8635 -13.4908 -13.4908 -13.2307 -13.2307 -13.1970 -13.1970 -12.9453 -12.9453 -12.9141 -12.9141 -12.8180 -12.8180 -12.7786 -12.7786 -12.7235 -12.7235 -12.6809 -12.6809 -11.6220 -11.6220 -11.6196 -11.6196 -10.5921 -10.5921 -10.5867 -10.5867 -10.5847 -10.5847 -8.7305 -8.7305 2.6635 2.6635 4.4005 4.4005 4.7100 4.7100 4.7949 4.7949 6.9366 6.9366 7.8057 7.8057 8.1652 8.1652 11.0519 11.0519 11.3544 11.3544 11.3585 11.3585 11.4341 11.4341 11.7978 11.7978 k = 0.2174 0.5000 0.2174 ( 4290 PWs) bands (ev): -31.8963 -31.8963 -31.8791 -31.8791 -31.8626 -31.8626 -13.4758 -13.4758 -13.2309 -13.2309 -13.1938 -13.1938 -12.9492 -12.9492 -12.9098 -12.9098 -12.8220 -12.8220 -12.7808 -12.7808 -12.7273 -12.7273 -12.6823 -12.6823 -11.6218 -11.6218 -11.6195 -11.6195 -10.5919 -10.5919 -10.5866 -10.5866 -10.5847 -10.5847 -8.7494 -8.7494 2.6453 2.6453 4.4178 4.4178 4.7441 4.7441 4.8306 4.8306 6.8885 6.8885 7.8364 7.8364 8.1908 8.1908 11.0447 11.0447 11.2975 11.2975 11.4212 11.4212 11.4771 11.4771 11.7937 11.7937 k = 0.2065 0.5000 0.2065 ( 4298 PWs) bands (ev): -31.8973 -31.8973 -31.8791 -31.8791 -31.8617 -31.8617 -13.4610 -13.4610 -13.2312 -13.2312 -13.1905 -13.1905 -12.9530 -12.9530 -12.9056 -12.9056 -12.8261 -12.8261 -12.7830 -12.7830 -12.7312 -12.7312 -12.6836 -12.6836 -11.6216 -11.6216 -11.6194 -11.6194 -10.5918 -10.5918 -10.5866 -10.5866 -10.5847 -10.5847 -8.7681 -8.7681 2.6269 2.6269 4.4354 4.4354 4.7785 4.7785 4.8660 4.8660 6.8407 6.8407 7.8701 7.8701 8.2173 8.2173 11.0330 11.0330 11.2385 11.2385 11.4867 11.4867 11.5193 11.5193 11.7906 11.7906 k = 0.1957 0.5000 0.1957 ( 4294 PWs) bands (ev): -31.8983 -31.8983 -31.8792 -31.8792 -31.8609 -31.8609 -13.4462 -13.4462 -13.2317 -13.2317 -13.1871 -13.1871 -12.9565 -12.9565 -12.9013 -12.9013 -12.8302 -12.8302 -12.7852 -12.7852 -12.7350 -12.7350 -12.6848 -12.6848 -11.6215 -11.6215 -11.6193 -11.6193 -10.5916 -10.5916 -10.5865 -10.5865 -10.5847 -10.5847 -8.7865 -8.7865 2.6084 2.6084 4.4530 4.4530 4.8132 4.8132 4.9010 4.9010 6.7932 6.7932 7.9066 7.9066 8.2447 8.2447 11.0175 11.0175 11.1795 11.1795 11.5531 11.5531 11.5607 11.5607 11.7883 11.7883 k = 0.1848 0.5000 0.1848 ( 4286 PWs) bands (ev): -31.8992 -31.8992 -31.8792 -31.8792 -31.8600 -31.8600 -13.4317 -13.4317 -13.2324 -13.2324 -13.1837 -13.1837 -12.9597 -12.9597 -12.8971 -12.8971 -12.8343 -12.8343 -12.7873 -12.7873 -12.7387 -12.7387 -12.6858 -12.6858 -11.6213 -11.6213 -11.6193 -11.6193 -10.5915 -10.5915 -10.5865 -10.5865 -10.5848 -10.5848 -8.8045 -8.8045 2.5898 2.5898 4.4705 4.4705 4.8480 4.8480 4.9352 4.9352 6.7462 6.7462 7.9456 7.9456 8.2727 8.2727 10.9988 10.9988 11.1208 11.1208 11.6015 11.6015 11.6203 11.6203 11.7865 11.7865 k = 0.1739 0.5000 0.1739 ( 4276 PWs) bands (ev): -31.9001 -31.9001 -31.8792 -31.8792 -31.8592 -31.8592 -13.4175 -13.4175 -13.2333 -13.2333 -13.1803 -13.1803 -12.9627 -12.9627 -12.8930 -12.8930 -12.8385 -12.8385 -12.7893 -12.7893 -12.7425 -12.7425 -12.6866 -12.6866 -11.6212 -11.6212 -11.6192 -11.6192 -10.5914 -10.5914 -10.5865 -10.5865 -10.5848 -10.5848 -8.8221 -8.8221 2.5714 2.5714 4.4878 4.4878 4.8828 4.8828 4.9686 4.9686 6.6998 6.6998 7.9867 7.9867 8.3015 8.3015 10.9776 10.9776 11.0627 11.0627 11.6418 11.6418 11.6880 11.6880 11.7852 11.7852 k = 0.1630 0.5000 0.1630 ( 4268 PWs) bands (ev): -31.9009 -31.9009 -31.8792 -31.8792 -31.8584 -31.8584 -13.4038 -13.4038 -13.2344 -13.2344 -13.1768 -13.1768 -12.9653 -12.9653 -12.8891 -12.8891 -12.8427 -12.8427 -12.7913 -12.7913 -12.7462 -12.7462 -12.6873 -12.6873 -11.6211 -11.6211 -11.6192 -11.6192 -10.5913 -10.5913 -10.5865 -10.5865 -10.5849 -10.5849 -8.8391 -8.8391 2.5534 2.5534 4.5047 4.5047 4.9175 4.9175 5.0010 5.0010 6.6543 6.6543 8.0296 8.0296 8.3308 8.3308 10.9547 10.9547 11.0056 11.0056 11.6816 11.6816 11.7561 11.7561 11.7842 11.7842 k = 0.1522 0.5000 0.1522 ( 4280 PWs) bands (ev): -31.9018 -31.9018 -31.8792 -31.8792 -31.8576 -31.8576 -13.3905 -13.3905 -13.2357 -13.2357 -13.1734 -13.1734 -12.9676 -12.9676 -12.8854 -12.8854 -12.8468 -12.8468 -12.7932 -12.7932 -12.7499 -12.7499 -12.6878 -12.6878 -11.6210 -11.6210 -11.6192 -11.6192 -10.5912 -10.5912 -10.5864 -10.5864 -10.5849 -10.5849 -8.8555 -8.8555 2.5358 2.5358 4.5211 4.5211 4.9519 4.9519 5.0322 5.0322 6.6098 6.6098 8.0737 8.0737 8.3605 8.3605 10.9305 10.9305 10.9496 10.9496 11.7208 11.7208 11.7834 11.7834 11.8246 11.8246 k = 0.1413 0.5000 0.1413 ( 4288 PWs) bands (ev): -31.9026 -31.9026 -31.8792 -31.8792 -31.8569 -31.8569 -13.3777 -13.3777 -13.2372 -13.2372 -13.1700 -13.1700 -12.9693 -12.9693 -12.8822 -12.8822 -12.8507 -12.8507 -12.7950 -12.7950 -12.7535 -12.7535 -12.6882 -12.6882 -11.6209 -11.6209 -11.6192 -11.6192 -10.5912 -10.5912 -10.5864 -10.5864 -10.5849 -10.5849 -8.8712 -8.8712 2.5188 2.5188 4.5369 4.5369 4.9859 4.9859 5.0621 5.0621 6.5664 6.5664 8.1186 8.1186 8.3906 8.3906 10.8947 10.8947 10.9062 10.9062 11.7589 11.7589 11.7835 11.7835 11.8931 11.8931 k = 0.1304 0.5000 0.1304 ( 4288 PWs) bands (ev): -31.9033 -31.9033 -31.8793 -31.8793 -31.8562 -31.8562 -13.3655 -13.3655 -13.2388 -13.2388 -13.1666 -13.1666 -12.9706 -12.9706 -12.8798 -12.8798 -12.8541 -12.8541 -12.7967 -12.7967 -12.7571 -12.7571 -12.6884 -12.6884 -11.6209 -11.6209 -11.6192 -11.6192 -10.5911 -10.5911 -10.5864 -10.5864 -10.5850 -10.5850 -8.8861 -8.8861 2.5025 2.5025 4.5519 4.5519 5.0193 5.0193 5.0906 5.0906 6.5243 6.5243 8.1637 8.1637 8.4209 8.4209 10.8423 10.8423 10.8813 10.8813 11.7790 11.7790 11.8013 11.8013 11.9616 11.9616 k = 0.1196 0.5000 0.1196 ( 4288 PWs) bands (ev): -31.9040 -31.9040 -31.8793 -31.8793 -31.8555 -31.8555 -13.3540 -13.3540 -13.2406 -13.2406 -13.1633 -13.1633 -12.9714 -12.9714 -12.8787 -12.8787 -12.8563 -12.8563 -12.7983 -12.7983 -12.7607 -12.7607 -12.6885 -12.6885 -11.6208 -11.6208 -11.6192 -11.6192 -10.5911 -10.5911 -10.5864 -10.5864 -10.5850 -10.5850 -8.9001 -8.9001 2.4871 2.4871 4.5661 4.5661 5.0518 5.0518 5.1173 5.1173 6.4837 6.4837 8.2082 8.2082 8.4513 8.4513 10.7919 10.7919 10.8570 10.8570 11.7794 11.7794 11.8387 11.8387 12.0300 12.0300 k = 0.1087 0.5000 0.1087 ( 4282 PWs) bands (ev): -31.9046 -31.9046 -31.8793 -31.8793 -31.8549 -31.8549 -13.3431 -13.3431 -13.2424 -13.2424 -13.1601 -13.1601 -12.9716 -12.9716 -12.8797 -12.8797 -12.8566 -12.8566 -12.7998 -12.7998 -12.7641 -12.7641 -12.6884 -12.6884 -11.6208 -11.6208 -11.6192 -11.6192 -10.5911 -10.5911 -10.5863 -10.5863 -10.5851 -10.5851 -8.9131 -8.9131 2.4726 2.4726 4.5794 4.5794 5.0833 5.0833 5.1423 5.1423 6.4449 6.4449 8.2516 8.2516 8.4816 8.4816 10.7441 10.7441 10.8336 10.8336 11.7789 11.7789 11.8768 11.8768 12.0979 12.0979 k = 0.0978 0.5000 0.0978 ( 4276 PWs) bands (ev): -31.9052 -31.9052 -31.8793 -31.8793 -31.8543 -31.8543 -13.3330 -13.3330 -13.2444 -13.2444 -13.1570 -13.1570 -12.9713 -12.9713 -12.8826 -12.8826 -12.8553 -12.8553 -12.8013 -12.8013 -12.7674 -12.7674 -12.6883 -12.6883 -11.6208 -11.6208 -11.6192 -11.6192 -10.5911 -10.5911 -10.5863 -10.5863 -10.5851 -10.5851 -8.9252 -8.9252 2.4592 2.4592 4.5917 4.5917 5.1134 5.1134 5.1654 5.1654 6.4082 6.4082 8.2930 8.2930 8.5115 8.5115 10.6992 10.6992 10.8114 10.8114 11.7783 11.7783 11.9147 11.9147 12.1653 12.1653 k = 0.0870 0.5000 0.0870 ( 4276 PWs) bands (ev): -31.9058 -31.9058 -31.8793 -31.8793 -31.8538 -31.8538 -13.3237 -13.3237 -13.2464 -13.2464 -13.1541 -13.1541 -12.9705 -12.9705 -12.8867 -12.8867 -12.8529 -12.8529 -12.8028 -12.8028 -12.7706 -12.7706 -12.6881 -12.6881 -11.6209 -11.6209 -11.6192 -11.6192 -10.5912 -10.5912 -10.5863 -10.5863 -10.5851 -10.5851 -8.9361 -8.9361 2.4470 2.4470 4.6029 4.6029 5.1419 5.1419 5.1864 5.1864 6.3737 6.3737 8.3319 8.3319 8.5408 8.5408 10.6576 10.6576 10.7908 10.7908 11.7777 11.7777 11.9522 11.9522 12.2316 12.2316 k = 0.0761 0.5000 0.0761 ( 4268 PWs) bands (ev): -31.9063 -31.9063 -31.8793 -31.8793 -31.8534 -31.8534 -13.3151 -13.3151 -13.2486 -13.2486 -13.1515 -13.1515 -12.9691 -12.9691 -12.8915 -12.8915 -12.8500 -12.8500 -12.8042 -12.8042 -12.7735 -12.7735 -12.6878 -12.6878 -11.6209 -11.6209 -11.6191 -11.6191 -10.5912 -10.5912 -10.5863 -10.5863 -10.5852 -10.5852 -8.9460 -8.9460 2.4360 2.4360 4.6129 4.6129 5.1685 5.1685 5.2053 5.2053 6.3419 6.3419 8.3674 8.3674 8.5690 8.5690 10.6196 10.6196 10.7719 10.7719 11.7771 11.7771 11.9889 11.9889 12.2270 12.2270 k = 0.0652 0.5000 0.0652 ( 4260 PWs) bands (ev): -31.9067 -31.9067 -31.8793 -31.8793 -31.8530 -31.8530 -13.3074 -13.3074 -13.2507 -13.2507 -13.1491 -13.1491 -12.9672 -12.9672 -12.8966 -12.8966 -12.8469 -12.8469 -12.8057 -12.8057 -12.7762 -12.7762 -12.6875 -12.6875 -11.6210 -11.6210 -11.6191 -11.6191 -10.5912 -10.5912 -10.5863 -10.5863 -10.5852 -10.5852 -8.9546 -8.9546 2.4263 2.4263 4.6217 4.6217 5.1927 5.1927 5.2220 5.2220 6.3131 6.3131 8.3990 8.3990 8.5956 8.5956 10.5857 10.5857 10.7552 10.7552 11.7766 11.7766 12.0245 12.0245 12.1894 12.1894 k = 0.0543 0.5000 0.0543 ( 4268 PWs) bands (ev): -31.9071 -31.9071 -31.8793 -31.8793 -31.8526 -31.8526 -13.3004 -13.3004 -13.2530 -13.2530 -13.1470 -13.1470 -12.9649 -12.9649 -12.9017 -12.9017 -12.8438 -12.8438 -12.8072 -12.8072 -12.7787 -12.7787 -12.6872 -12.6872 -11.6210 -11.6210 -11.6191 -11.6191 -10.5913 -10.5913 -10.5863 -10.5863 -10.5852 -10.5852 -8.9620 -8.9620 2.4180 2.4180 4.6293 4.6293 5.2141 5.2141 5.2364 5.2364 6.2878 6.2878 8.4264 8.4264 8.6200 8.6200 10.5562 10.5562 10.7406 10.7406 11.7761 11.7761 12.0581 12.0581 12.1559 12.1559 k = 0.0435 0.5000 0.0435 ( 4268 PWs) bands (ev): -31.9074 -31.9074 -31.8793 -31.8793 -31.8524 -31.8524 -13.2944 -13.2944 -13.2553 -13.2553 -13.1452 -13.1452 -12.9623 -12.9623 -12.9067 -12.9067 -12.8408 -12.8408 -12.8088 -12.8088 -12.7807 -12.7807 -12.6869 -12.6869 -11.6210 -11.6210 -11.6190 -11.6190 -10.5913 -10.5913 -10.5863 -10.5863 -10.5852 -10.5852 -8.9681 -8.9681 2.4111 2.4111 4.6355 4.6355 5.2321 5.2321 5.2485 5.2485 6.2662 6.2662 8.4491 8.4491 8.6413 8.6413 10.5316 10.5316 10.7285 10.7285 11.7756 11.7756 12.0888 12.0888 12.1274 12.1274 k = 0.0326 0.5000 0.0326 ( 4272 PWs) bands (ev): -31.9076 -31.9076 -31.8793 -31.8793 -31.8522 -31.8522 -13.2892 -13.2892 -13.2575 -13.2575 -13.1438 -13.1438 -12.9597 -12.9597 -12.9114 -12.9114 -12.8381 -12.8381 -12.8104 -12.8104 -12.7824 -12.7824 -12.6867 -12.6867 -11.6211 -11.6211 -11.6190 -11.6190 -10.5913 -10.5913 -10.5863 -10.5863 -10.5852 -10.5852 -8.9728 -8.9728 2.4057 2.4057 4.6403 4.6403 5.2464 5.2464 5.2583 5.2583 6.2489 6.2489 8.4669 8.4669 8.6589 8.6589 10.5121 10.5121 10.7189 10.7189 11.7753 11.7753 12.1027 12.1027 12.1171 12.1171 k = 0.0217 0.5000 0.0217 ( 4268 PWs) bands (ev): -31.9078 -31.9078 -31.8793 -31.8793 -31.8520 -31.8520 -13.2851 -13.2851 -13.2596 -13.2596 -13.1428 -13.1428 -12.9573 -12.9573 -12.9152 -12.9152 -12.8359 -12.8359 -12.8117 -12.8117 -12.7835 -12.7835 -12.6865 -12.6865 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9763 -8.9763 2.4018 2.4018 4.6438 4.6438 5.2564 5.2564 5.2659 5.2659 6.2362 6.2362 8.4797 8.4797 8.6720 8.6720 10.4979 10.4979 10.7121 10.7121 11.7751 11.7751 12.0865 12.0865 12.1374 12.1374 k = 0.0109 0.5000 0.0109 ( 4284 PWs) bands (ev): -31.9079 -31.9079 -31.8793 -31.8793 -31.8519 -31.8519 -13.2824 -13.2824 -13.2612 -13.2612 -13.1422 -13.1422 -12.9555 -12.9555 -12.9179 -12.9179 -12.8344 -12.8344 -12.8127 -12.8127 -12.7843 -12.7843 -12.6863 -12.6863 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9783 -8.9783 2.3995 2.3995 4.6460 4.6460 5.2620 5.2620 5.2710 5.2710 6.2285 6.2285 8.4874 8.4874 8.6801 8.6801 10.4893 10.4893 10.7079 10.7079 11.7749 11.7749 12.0761 12.0761 12.1510 12.1510 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -31.9079 -31.9079 -31.8793 -31.8793 -31.8519 -31.8519 -13.2814 -13.2814 -13.2618 -13.2618 -13.1420 -13.1420 -12.9549 -12.9549 -12.9188 -12.9188 -12.8339 -12.8339 -12.8131 -12.8131 -12.7845 -12.7845 -12.6863 -12.6863 -11.6211 -11.6211 -11.6190 -11.6190 -10.5914 -10.5914 -10.5863 -10.5863 -10.5852 -10.5852 -8.9790 -8.9790 2.3987 2.3987 4.6467 4.6467 5.2639 5.2639 5.2727 5.2727 6.2258 6.2258 8.4899 8.4899 8.6828 8.6828 10.4864 10.4864 10.7065 10.7065 11.7748 11.7748 12.0726 12.0726 12.1557 12.1557 k = 0.5000 0.5000-0.0000 ( 4260 PWs) bands (ev): -31.8798 -31.8798 -31.8790 -31.8790 -31.8790 -31.8790 -13.4805 -13.4805 -13.2326 -13.2326 -13.1966 -13.1966 -12.9625 -12.9625 -12.8900 -12.8900 -12.8235 -12.8235 -12.8227 -12.8227 -12.7159 -12.7159 -12.6826 -12.6826 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6823 -8.6823 2.8227 2.8227 4.2565 4.2565 4.2672 4.2672 5.1450 5.1450 7.1121 7.1121 7.2516 7.2516 8.4780 8.4780 10.9117 10.9117 11.4868 11.4868 11.4869 11.4869 11.6703 11.6703 11.6791 11.6791 k = 0.5000 0.5000 0.0152 ( 4292 PWs) bands (ev): -31.8798 -31.8798 -31.8791 -31.8791 -31.8791 -31.8791 -13.4813 -13.4813 -13.2327 -13.2327 -13.1968 -13.1968 -12.9622 -12.9622 -12.8906 -12.8906 -12.8233 -12.8233 -12.8223 -12.8223 -12.7158 -12.7158 -12.6826 -12.6826 -11.6214 -11.6214 -11.6176 -11.6176 -10.5918 -10.5918 -10.5852 -10.5852 -10.5837 -10.5837 -8.6817 -8.6817 2.8228 2.8228 4.2564 4.2564 4.2671 4.2671 5.1426 5.1426 7.1131 7.1131 7.2526 7.2526 8.4762 8.4762 10.9105 10.9105 11.4838 11.4838 11.4839 11.4839 11.6726 11.6726 11.6813 11.6813 k = 0.5000 0.5000 0.0303 ( 4292 PWs) bands (ev): -31.8798 -31.8798 -31.8790 -31.8790 -31.8790 -31.8790 -13.4836 -13.4836 -13.2328 -13.2328 -13.1971 -13.1971 -12.9613 -12.9613 -12.8921 -12.8921 -12.8226 -12.8226 -12.8209 -12.8209 -12.7155 -12.7155 -12.6824 -12.6824 -11.6214 -11.6214 -11.6177 -11.6177 -10.5919 -10.5919 -10.5852 -10.5852 -10.5837 -10.5837 -8.6799 -8.6799 2.8229 2.8229 4.2561 4.2561 4.2669 4.2669 5.1355 5.1355 7.1161 7.1161 7.2559 7.2559 8.4710 8.4710 10.9071 10.9071 11.4751 11.4751 11.4754 11.4754 11.6794 11.6794 11.6878 11.6878 k = 0.5000 0.5000 0.0455 ( 4292 PWs) bands (ev): -31.8797 -31.8797 -31.8790 -31.8790 -31.8790 -31.8790 -13.4873 -13.4873 -13.2329 -13.2329 -13.1975 -13.1975 -12.9597 -12.9597 -12.8944 -12.8944 -12.8215 -12.8215 -12.8186 -12.8186 -12.7149 -12.7149 -12.6821 -12.6821 -11.6215 -11.6215 -11.6178 -11.6178 -10.5919 -10.5919 -10.5852 -10.5852 -10.5838 -10.5838 -8.6771 -8.6771 2.8231 2.8231 4.2556 4.2556 4.2664 4.2664 5.1237 5.1237 7.1212 7.1212 7.2613 7.2613 8.4624 8.4624 10.9014 10.9014 11.4617 11.4617 11.4620 11.4620 11.6896 11.6896 11.6976 11.6976 k = 0.5000 0.5000 0.0606 ( 4288 PWs) bands (ev): -31.8797 -31.8797 -31.8790 -31.8790 -31.8790 -31.8790 -13.4924 -13.4924 -13.2331 -13.2331 -13.1982 -13.1982 -12.9575 -12.9575 -12.8974 -12.8974 -12.8199 -12.8199 -12.8156 -12.8156 -12.7140 -12.7140 -12.6817 -12.6817 -11.6216 -11.6216 -11.6179 -11.6179 -10.5920 -10.5920 -10.5853 -10.5853 -10.5838 -10.5838 -8.6731 -8.6731 2.8234 2.8234 4.2548 4.2548 4.2657 4.2657 5.1074 5.1074 7.1282 7.1282 7.2689 7.2689 8.4506 8.4506 10.8936 10.8936 11.4443 11.4443 11.4446 11.4446 11.7024 11.7024 11.7100 11.7100 k = 0.5000 0.5000 0.0758 ( 4288 PWs) bands (ev): -31.8797 -31.8797 -31.8790 -31.8790 -31.8790 -31.8790 -13.4987 -13.4987 -13.2333 -13.2333 -13.1991 -13.1991 -12.9549 -12.9549 -12.9009 -12.9009 -12.8179 -12.8179 -12.8122 -12.8122 -12.7130 -12.7130 -12.6812 -12.6812 -11.6216 -11.6216 -11.6180 -11.6180 -10.5920 -10.5920 -10.5853 -10.5853 -10.5839 -10.5839 -8.6680 -8.6680 2.8238 2.8238 4.2539 4.2539 4.2649 4.2649 5.0868 5.0868 7.1372 7.1372 7.2786 7.2786 8.4358 8.4358 10.8835 10.8835 11.4236 11.4236 11.4238 11.4238 11.7170 11.7170 11.7243 11.7243 k = 0.5000 0.5000 0.0909 ( 4288 PWs) bands (ev): -31.8797 -31.8797 -31.8790 -31.8790 -31.8790 -31.8790 -13.5062 -13.5062 -13.2335 -13.2335 -13.2001 -13.2001 -12.9518 -12.9518 -12.9048 -12.9048 -12.8155 -12.8155 -12.8084 -12.8084 -12.7116 -12.7116 -12.6806 -12.6806 -11.6217 -11.6217 -11.6182 -11.6182 -10.5921 -10.5921 -10.5854 -10.5854 -10.5841 -10.5841 -8.6618 -8.6618 2.8242 2.8242 4.2528 4.2528 4.2639 4.2639 5.0622 5.0622 7.1482 7.1482 7.2904 7.2904 8.4181 8.4181 10.8713 10.8713 11.4001 11.4001 11.4001 11.4001 11.7329 11.7329 11.7398 11.7398 k = 0.5000 0.5000 0.1061 ( 4288 PWs) bands (ev): -31.8797 -31.8797 -31.8790 -31.8790 -31.8790 -31.8790 -13.5148 -13.5148 -13.2339 -13.2339 -13.2014 -13.2014 -12.9484 -12.9484 -12.9089 -12.9089 -12.8128 -12.8128 -12.8045 -12.8045 -12.7101 -12.7101 -12.6798 -12.6798 -11.6218 -11.6218 -11.6184 -11.6184 -10.5923 -10.5923 -10.5854 -10.5854 -10.5842 -10.5842 -8.6547 -8.6547 2.8247 2.8247 4.2515 4.2515 4.2627 4.2627 5.0339 5.0339 7.1610 7.1610 7.3043 7.3043 8.3978 8.3978 10.8572 10.8572 11.3737 11.3737 11.3741 11.3741 11.7497 11.7497 11.7563 11.7563 k = 0.5000 0.5000 0.1212 ( 4276 PWs) bands (ev): -31.8796 -31.8796 -31.8790 -31.8790 -31.8790 -31.8790 -13.5241 -13.5241 -13.2342 -13.2342 -13.2028 -13.2028 -12.9447 -12.9447 -12.9131 -12.9131 -12.8098 -12.8098 -12.8004 -12.8004 -12.7083 -12.7083 -12.6789 -12.6789 -11.6220 -11.6220 -11.6187 -11.6187 -10.5924 -10.5924 -10.5855 -10.5855 -10.5843 -10.5843 -8.6467 -8.6467 2.8253 2.8253 4.2500 4.2500 4.2614 4.2614 5.0022 5.0022 7.1758 7.1758 7.3202 7.3202 8.3753 8.3753 10.8412 10.8412 11.3448 11.3448 11.3456 11.3456 11.7672 11.7672 11.7735 11.7735 k = 0.5000 0.5000 0.1364 ( 4284 PWs) bands (ev): -31.8796 -31.8796 -31.8790 -31.8790 -31.8790 -31.8790 -13.5343 -13.5343 -13.2346 -13.2346 -13.2045 -13.2045 -12.9408 -12.9408 -12.9174 -12.9174 -12.8065 -12.8065 -12.7963 -12.7963 -12.7063 -12.7063 -12.6780 -12.6780 -11.6221 -11.6221 -11.6189 -11.6189 -10.5925 -10.5925 -10.5856 -10.5856 -10.5845 -10.5845 -8.6378 -8.6378 2.8260 2.8260 4.2484 4.2484 4.2599 4.2599 4.9674 4.9674 7.1923 7.1923 7.3381 7.3381 8.3508 8.3508 10.8235 10.8235 11.3134 11.3134 11.3148 11.3148 11.7851 11.7851 11.7912 11.7912 k = 0.5000 0.5000 0.1515 ( 4284 PWs) bands (ev): -31.8796 -31.8796 -31.8790 -31.8790 -31.8790 -31.8790 -13.5450 -13.5450 -13.2351 -13.2351 -13.2063 -13.2063 -12.9369 -12.9369 -12.9218 -12.9218 -12.8030 -12.8030 -12.7922 -12.7922 -12.7040 -12.7040 -12.6769 -12.6769 -11.6223 -11.6223 -11.6192 -11.6192 -10.5927 -10.5927 -10.5857 -10.5857 -10.5846 -10.5846 -8.6281 -8.6281 2.8267 2.8267 4.2466 4.2466 4.2583 4.2583 4.9301 4.9301 7.2105 7.2105 7.3578 7.3578 8.3246 8.3246 10.8044 10.8044 11.2797 11.2797 11.2816 11.2816 11.8035 11.8035 11.8094 11.8094 k = 0.5000 0.5000 0.1667 ( 4288 PWs) bands (ev): -31.8795 -31.8795 -31.8790 -31.8790 -31.8790 -31.8790 -13.5562 -13.5562 -13.2355 -13.2355 -13.2083 -13.2083 -12.9329 -12.9329 -12.9261 -12.9261 -12.7994 -12.7994 -12.7882 -12.7882 -12.7015 -12.7015 -12.6757 -12.6757 -11.6224 -11.6224 -11.6196 -11.6196 -10.5929 -10.5929 -10.5858 -10.5858 -10.5848 -10.5848 -8.6177 -8.6177 2.8274 2.8274 4.2446 4.2446 4.2565 4.2565 4.8906 4.8906 7.2304 7.2304 7.3795 7.3795 8.2971 8.2971 10.7840 10.7840 11.2436 11.2436 11.2462 11.2462 11.8222 11.8222 11.8278 11.8278 k = 0.5000 0.5000 0.1818 ( 4288 PWs) bands (ev): -31.8795 -31.8795 -31.8790 -31.8790 -31.8790 -31.8790 -13.5677 -13.5677 -13.2360 -13.2360 -13.2104 -13.2104 -12.9303 -12.9303 -12.9289 -12.9289 -12.7956 -12.7956 -12.7843 -12.7843 -12.6989 -12.6989 -12.6744 -12.6744 -11.6226 -11.6226 -11.6199 -11.6199 -10.5931 -10.5931 -10.5859 -10.5859 -10.5850 -10.5850 -8.6067 -8.6067 2.8282 2.8282 4.2426 4.2426 4.2546 4.2546 4.8492 4.8492 7.2519 7.2519 7.4028 7.4028 8.2686 8.2686 10.7626 10.7626 11.2053 11.2053 11.2085 11.2085 11.8410 11.8410 11.8465 11.8465 k = 0.5000 0.5000 0.1970 ( 4284 PWs) bands (ev): -31.8794 -31.8794 -31.8790 -31.8790 -31.8790 -31.8790 -13.5793 -13.5793 -13.2366 -13.2366 -13.2126 -13.2126 -12.9344 -12.9344 -12.9250 -12.9250 -12.7918 -12.7918 -12.7806 -12.7806 -12.6960 -12.6960 -12.6730 -12.6730 -11.6228 -11.6228 -11.6202 -11.6202 -10.5933 -10.5933 -10.5860 -10.5860 -10.5852 -10.5852 -8.5953 -8.5953 2.8291 2.8291 4.2404 4.2404 4.2526 4.2526 4.8065 4.8065 7.2748 7.2748 7.4278 7.4278 8.2394 8.2394 10.7405 10.7405 11.1649 11.1649 11.1688 11.1688 11.8599 11.8599 11.8652 11.8652 k = 0.5000 0.5000 0.2121 ( 4292 PWs) bands (ev): -31.8794 -31.8794 -31.8790 -31.8790 -31.8790 -31.8790 -13.5912 -13.5912 -13.2372 -13.2372 -13.2150 -13.2150 -12.9385 -12.9385 -12.9212 -12.9212 -12.7880 -12.7880 -12.7770 -12.7770 -12.6930 -12.6930 -12.6715 -12.6715 -11.6230 -11.6230 -11.6206 -11.6206 -10.5935 -10.5935 -10.5861 -10.5861 -10.5854 -10.5854 -8.5834 -8.5834 2.8300 2.8300 4.2381 4.2381 4.2505 4.2505 4.7629 4.7629 7.2990 7.2990 7.4544 7.4544 8.2099 8.2099 10.7179 10.7179 11.1225 11.1225 11.1270 11.1270 11.8788 11.8788 11.8840 11.8840 k = 0.5000 0.5000 0.2273 ( 4284 PWs) bands (ev): -31.8793 -31.8793 -31.8789 -31.8789 -31.8789 -31.8789 -13.6029 -13.6029 -13.2377 -13.2377 -13.2173 -13.2173 -12.9423 -12.9423 -12.9175 -12.9175 -12.7842 -12.7842 -12.7737 -12.7737 -12.6898 -12.6898 -12.6699 -12.6699 -11.6231 -11.6231 -11.6210 -11.6210 -10.5937 -10.5937 -10.5862 -10.5862 -10.5855 -10.5855 -8.5712 -8.5712 2.8309 2.8309 4.2357 4.2357 4.2483 4.2483 4.7187 4.7187 7.3243 7.3243 7.4823 7.4823 8.1803 8.1803 10.6951 10.6951 11.0784 11.0784 11.0834 11.0834 11.8977 11.8977 11.9028 11.9028 k = 0.5000 0.5000 0.2424 ( 4272 PWs) bands (ev): -31.8793 -31.8793 -31.8789 -31.8789 -31.8789 -31.8789 -13.6145 -13.6145 -13.2383 -13.2383 -13.2197 -13.2197 -12.9460 -12.9460 -12.9139 -12.9139 -12.7805 -12.7805 -12.7705 -12.7705 -12.6865 -12.6865 -12.6682 -12.6682 -11.6233 -11.6233 -11.6213 -11.6213 -10.5940 -10.5940 -10.5863 -10.5863 -10.5857 -10.5857 -8.5588 -8.5588 2.8318 2.8318 4.2333 4.2333 4.2461 4.2461 4.6744 4.6744 7.3505 7.3505 7.5114 7.5114 8.1511 8.1511 10.6723 10.6723 11.0327 11.0327 11.0382 11.0382 11.9164 11.9164 11.9214 11.9214 k = 0.5000 0.5000 0.2576 ( 4280 PWs) bands (ev): -31.8793 -31.8793 -31.8789 -31.8789 -31.8789 -31.8789 -13.6259 -13.6259 -13.2389 -13.2389 -13.2221 -13.2221 -12.9495 -12.9495 -12.9106 -12.9106 -12.7770 -12.7770 -12.7676 -12.7676 -12.6832 -12.6832 -12.6665 -12.6665 -11.6235 -11.6235 -11.6217 -11.6217 -10.5942 -10.5942 -10.5864 -10.5864 -10.5859 -10.5859 -8.5464 -8.5464 2.8328 2.8328 4.2309 4.2309 4.2438 4.2438 4.6305 4.6305 7.3775 7.3775 7.5415 7.5415 8.1224 8.1224 10.6497 10.6497 10.9858 10.9858 10.9917 10.9917 11.9348 11.9348 11.9398 11.9398 k = 0.5000 0.5000 0.2727 ( 4288 PWs) bands (ev): -31.8792 -31.8792 -31.8789 -31.8789 -31.8789 -31.8789 -13.6371 -13.6371 -13.2395 -13.2395 -13.2245 -13.2245 -12.9529 -12.9529 -12.9075 -12.9075 -12.7735 -12.7735 -12.7649 -12.7649 -12.6798 -12.6798 -12.6647 -12.6647 -11.6237 -11.6237 -11.6221 -11.6221 -10.5944 -10.5944 -10.5865 -10.5865 -10.5861 -10.5861 -8.5340 -8.5340 2.8337 2.8337 4.2284 4.2284 4.2415 4.2415 4.5871 4.5871 7.4050 7.4050 7.5725 7.5725 8.0946 8.0946 10.6275 10.6275 10.9379 10.9379 10.9441 10.9441 11.9528 11.9528 11.9578 11.9578 k = 0.5000 0.5000 0.2879 ( 4288 PWs) bands (ev): -31.8792 -31.8792 -31.8789 -31.8789 -31.8789 -31.8789 -13.6478 -13.6478 -13.2401 -13.2401 -13.2268 -13.2268 -12.9561 -12.9561 -12.9046 -12.9046 -12.7703 -12.7703 -12.7624 -12.7624 -12.6764 -12.6764 -12.6630 -12.6630 -11.6239 -11.6239 -11.6225 -11.6225 -10.5947 -10.5947 -10.5866 -10.5866 -10.5863 -10.5863 -8.5217 -8.5217 2.8346 2.8346 4.2259 4.2259 4.2393 4.2393 4.5448 4.5448 7.4327 7.4327 7.6040 7.6040 8.0679 8.0679 10.6059 10.6059 10.8896 10.8896 10.8959 10.8959 11.9704 11.9704 11.9754 11.9754 k = 0.5000 0.5000 0.3030 ( 4296 PWs) bands (ev): -31.8791 -31.8791 -31.8789 -31.8789 -31.8789 -31.8789 -13.6581 -13.6581 -13.2408 -13.2408 -13.2291 -13.2291 -12.9590 -12.9590 -12.9019 -12.9019 -12.7672 -12.7672 -12.7601 -12.7601 -12.6730 -12.6730 -12.6613 -12.6613 -11.6241 -11.6241 -11.6228 -11.6228 -10.5949 -10.5949 -10.5867 -10.5867 -10.5864 -10.5864 -8.5097 -8.5097 2.8355 2.8355 4.2235 4.2235 4.2370 4.2370 4.5039 4.5039 7.4602 7.4602 7.6359 7.6359 8.0427 8.0427 10.5852 10.5852 10.8412 10.8412 10.8474 10.8474 11.9874 11.9874 11.9924 11.9924 k = 0.5000 0.5000 0.3182 ( 4272 PWs) bands (ev): -31.8791 -31.8791 -31.8789 -31.8789 -31.8789 -31.8789 -13.6679 -13.6679 -13.2413 -13.2413 -13.2312 -13.2312 -12.9617 -12.9617 -12.8993 -12.8993 -12.7642 -12.7642 -12.7580 -12.7580 -12.6696 -12.6696 -12.6595 -12.6595 -11.6243 -11.6243 -11.6232 -11.6232 -10.5952 -10.5952 -10.5868 -10.5868 -10.5866 -10.5866 -8.4981 -8.4981 2.8364 2.8364 4.2211 4.2211 4.2348 4.2348 4.4647 4.4647 7.4873 7.4873 7.6677 7.6677 8.0191 8.0191 10.5654 10.5654 10.7932 10.7932 10.7993 10.7993 12.0038 12.0038 12.0088 12.0088 k = 0.5000 0.5000 0.3333 ( 4280 PWs) bands (ev): -31.8790 -31.8790 -31.8789 -31.8789 -31.8789 -31.8789 -13.6771 -13.6771 -13.2419 -13.2419 -13.2333 -13.2333 -12.9643 -12.9643 -12.8970 -12.8970 -12.7616 -12.7616 -12.7562 -12.7562 -12.6665 -12.6665 -12.6578 -12.6578 -11.6245 -11.6245 -11.6235 -11.6235 -10.5954 -10.5954 -10.5869 -10.5869 -10.5867 -10.5867 -8.4869 -8.4869 2.8373 2.8373 4.2188 4.2188 4.2327 4.2327 4.4275 4.4275 7.5135 7.5135 7.6993 7.6993 7.9976 7.9976 10.5466 10.5466 10.7461 10.7461 10.7519 10.7519 12.0193 12.0193 12.0244 12.0244 k = 0.5000 0.5000 0.3485 ( 4288 PWs) bands (ev): -31.8790 -31.8790 -31.8788 -31.8788 -31.8788 -31.8788 -13.6858 -13.6858 -13.2425 -13.2425 -13.2353 -13.2353 -12.9666 -12.9666 -12.8950 -12.8950 -12.7591 -12.7591 -12.7545 -12.7545 -12.6634 -12.6634 -12.6561 -12.6561 -11.6246 -11.6246 -11.6238 -11.6238 -10.5956 -10.5956 -10.5870 -10.5870 -10.5869 -10.5869 -8.4764 -8.4764 2.8381 2.8381 4.2166 4.2166 4.2307 4.2307 4.3926 4.3926 7.5385 7.5385 7.7301 7.7301 7.9782 7.9782 10.5291 10.5291 10.7004 10.7004 10.7058 10.7058 12.0339 12.0339 12.0391 12.0391 k = 0.5000 0.5000 0.3636 ( 4296 PWs) bands (ev): -31.8790 -31.8790 -31.8788 -31.8788 -31.8788 -31.8788 -13.6937 -13.6937 -13.2430 -13.2430 -13.2372 -13.2372 -12.9687 -12.9687 -12.8931 -12.8931 -12.7569 -12.7569 -12.7531 -12.7531 -12.6606 -12.6606 -12.6546 -12.6546 -11.6248 -11.6248 -11.6241 -11.6241 -10.5958 -10.5958 -10.5871 -10.5871 -10.5870 -10.5870 -8.4665 -8.4665 2.8388 2.8388 4.2144 4.2144 4.2288 4.2288 4.3603 4.3603 7.5617 7.5617 7.7599 7.7599 7.9613 7.9613 10.5130 10.5130 10.6567 10.6567 10.6615 10.6615 12.0475 12.0475 12.0527 12.0527 k = 0.5000 0.5000 0.3788 ( 4296 PWs) bands (ev): -31.8789 -31.8789 -31.8788 -31.8788 -31.8788 -31.8788 -13.7009 -13.7009 -13.2435 -13.2435 -13.2388 -13.2388 -12.9706 -12.9706 -12.8915 -12.8915 -12.7549 -12.7549 -12.7518 -12.7518 -12.6579 -12.6579 -12.6532 -12.6532 -11.6249 -11.6249 -11.6244 -11.6244 -10.5960 -10.5960 -10.5872 -10.5872 -10.5871 -10.5871 -8.4574 -8.4574 2.8395 2.8395 4.2124 4.2124 4.2270 4.2270 4.3307 4.3307 7.5828 7.5828 7.7883 7.7883 7.9470 7.9470 10.4983 10.4983 10.6156 10.6156 10.6198 10.6198 12.0600 12.0600 12.0652 12.0652 k = 0.5000 0.5000 0.3939 ( 4280 PWs) bands (ev): -31.8789 -31.8789 -31.8788 -31.8788 -31.8788 -31.8788 -13.7073 -13.7073 -13.2439 -13.2439 -13.2403 -13.2403 -12.9722 -12.9722 -12.8900 -12.8900 -12.7531 -12.7531 -12.7506 -12.7506 -12.6555 -12.6555 -12.6518 -12.6518 -11.6251 -11.6251 -11.6247 -11.6247 -10.5962 -10.5962 -10.5873 -10.5873 -10.5872 -10.5872 -8.4491 -8.4491 2.8402 2.8402 4.2105 4.2105 4.2254 4.2254 4.3043 4.3043 7.6014 7.6014 7.8147 7.8147 7.9354 7.9354 10.4851 10.4851 10.5777 10.5777 10.5811 10.5811 12.0713 12.0713 12.0766 12.0766 k = 0.5000 0.5000 0.4091 ( 4276 PWs) bands (ev): -31.8789 -31.8789 -31.8788 -31.8788 -31.8788 -31.8788 -13.7130 -13.7130 -13.2443 -13.2443 -13.2416 -13.2416 -12.9737 -12.9737 -12.8887 -12.8887 -12.7515 -12.7515 -12.7497 -12.7497 -12.6533 -12.6533 -12.6506 -12.6506 -11.6252 -11.6252 -11.6249 -11.6249 -10.5964 -10.5964 -10.5873 -10.5873 -10.5873 -10.5873 -8.4418 -8.4418 2.8408 2.8408 4.2086 4.2086 4.2240 4.2240 4.2811 4.2811 7.6171 7.6171 7.8387 7.8387 7.9265 7.9265 10.4736 10.4736 10.5434 10.5434 10.5460 10.5460 12.0813 12.0814 12.0866 12.0867 k = 0.5000 0.5000 0.4242 ( 4268 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7178 -13.7178 -13.2446 -13.2446 -13.2428 -13.2428 -12.9749 -12.9749 -12.8876 -12.8876 -12.7501 -12.7501 -12.7489 -12.7489 -12.6515 -12.6515 -12.6496 -12.6496 -11.6253 -11.6253 -11.6251 -11.6251 -10.5965 -10.5965 -10.5874 -10.5874 -10.5873 -10.5873 -8.4355 -8.4355 2.8412 2.8412 4.2068 4.2068 4.2228 4.2228 4.2614 4.2614 7.6299 7.6299 7.8600 7.8600 7.9202 7.9202 10.4637 10.4637 10.5133 10.5133 10.5152 10.5152 12.0900 12.0915 12.0952 12.1068 k = 0.5000 0.5000 0.4394 ( 4256 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7218 -13.7218 -13.2448 -13.2448 -13.2437 -13.2437 -12.9759 -12.9759 -12.8867 -12.8867 -12.7490 -12.7490 -12.7482 -12.7482 -12.6499 -12.6499 -12.6487 -12.6487 -11.6254 -11.6254 -11.6252 -11.6252 -10.5966 -10.5966 -10.5874 -10.5874 -10.5874 -10.5874 -8.4302 -8.4302 2.8417 2.8417 4.2050 4.2050 4.2217 4.2217 4.2455 4.2455 7.6399 7.6399 7.8781 7.8781 7.9161 7.9161 10.4556 10.4556 10.4880 10.4880 10.4891 10.4891 12.0972 12.0991 12.1023 12.1093 k = 0.5000 0.5000 0.4545 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7249 -13.7249 -13.2451 -13.2451 -13.2444 -13.2444 -12.9767 -12.9767 -12.8861 -12.8861 -12.7482 -12.7482 -12.7478 -12.7478 -12.6487 -12.6487 -12.6481 -12.6481 -11.6254 -11.6254 -11.6254 -11.6254 -10.5967 -10.5967 -10.5875 -10.5875 -10.5875 -10.5875 -8.4260 -8.4260 2.8420 2.8420 4.2030 4.2030 4.2209 4.2209 4.2335 4.2335 7.6471 7.6471 7.8926 7.8926 7.9136 7.9136 10.4492 10.4492 10.4677 10.4677 10.4683 10.4683 12.1029 12.1039 12.1084 12.1150 k = 0.5000 0.5000 0.4697 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7271 -13.7271 -13.2453 -13.2453 -13.2450 -13.2450 -12.9772 -12.9772 -12.8856 -12.8856 -12.7476 -12.7476 -12.7474 -12.7474 -12.6479 -12.6479 -12.6476 -12.6476 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4231 -8.4231 2.8422 2.8422 4.2009 4.2009 4.2203 4.2203 4.2255 4.2255 7.6519 7.6519 7.9032 7.9032 7.9124 7.9124 10.4446 10.4446 10.4530 10.4530 10.4531 10.4531 12.1068 12.1078 12.1114 12.1143 k = 0.5000 0.5000 0.4848 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7285 -13.7285 -13.2454 -13.2454 -13.2453 -13.2453 -12.9775 -12.9775 -12.8853 -12.8853 -12.7473 -12.7473 -12.7472 -12.7472 -12.6473 -12.6473 -12.6473 -12.6473 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4213 -8.4213 2.8423 2.8423 4.1992 4.1992 4.2200 4.2200 4.2212 4.2212 7.6547 7.6547 7.9096 7.9096 7.9119 7.9119 10.4418 10.4418 10.4439 10.4439 10.4441 10.4441 12.1094 12.1098 12.1106 12.1132 k = 0.5000 0.5000 0.5000 ( 4272 PWs) bands (ev): -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -31.8788 -13.7289 -13.7289 -13.2454 -13.2454 -13.2454 -13.2454 -12.9776 -12.9776 -12.8852 -12.8852 -12.7472 -12.7472 -12.7472 -12.7472 -12.6472 -12.6472 -12.6472 -12.6472 -11.6255 -11.6255 -11.6255 -11.6255 -10.5968 -10.5968 -10.5875 -10.5875 -10.5875 -10.5875 -8.4207 -8.4207 2.8424 2.8424 4.1985 4.1985 4.2199 4.2199 4.2199 4.2199 7.6556 7.6556 7.9118 7.9118 7.9118 7.9118 10.4407 10.4407 10.4411 10.4411 10.4411 10.4411 12.1101 12.1101 12.1114 12.1165 Writing output data file Ca3SnO.save init_run : 0.53s CPU 0.78s WALL ( 1 calls) electrons : 312.07s CPU 316.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 312.06s CPU 316.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s 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 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 254 calls) cegterg : 298.10s CPU 301.61s WALL ( 797 calls) Called by sum_band: Called by *egterg: h_psi : 144.60s CPU 146.49s WALL ( 14930 calls) s_psi : 8.73s CPU 8.87s WALL ( 14930 calls) g_psi : 0.40s CPU 0.39s WALL ( 13879 calls) cdiaghg : 125.16s CPU 126.34s WALL ( 14133 calls) cegterg:over : 10.20s CPU 10.51s WALL ( 13879 calls) cegterg:upda : 11.02s CPU 11.12s WALL ( 13879 calls) cegterg:last : 4.10s CPU 4.17s WALL ( 1637 calls) cdiaghg:chol : 7.14s CPU 7.13s WALL ( 14133 calls) cdiaghg:inve : 4.84s CPU 4.87s WALL ( 14133 calls) cdiaghg:para : 8.03s CPU 8.04s WALL ( 28266 calls) Called by h_psi: h_psi:vloc : 125.00s CPU 126.84s WALL ( 14930 calls) h_psi:vnl : 19.17s CPU 19.26s WALL ( 14930 calls) add_vuspsi : 10.44s CPU 10.47s WALL ( 14930 calls) General routines calbec : 8.67s CPU 8.76s WALL ( 14930 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.40s CPU 119.23s WALL ( 1194364 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.19s WALL ( 508 calls) Parallel routines fft_scatter : 38.96s CPU 39.40s WALL ( 1194387 calls) PWSCF : 5m27.57s CPU 5m45.22s WALL This run was terminated on: 16:39:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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