Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:36 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: ./Ca3GeO.save/ 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 57 33 9 1953 853 135 Max 58 34 10 1956 875 140 Sum 2061 1201 349 70319 31103 4945 bravais-lattice index = 14 lattice parameter (alat) = 8.9346 a.u. unit-cell volume = 713.2289 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.934624 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 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. # 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 Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 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= 260 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0038462 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0038462 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0038462 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0038462 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0038462 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0038462 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0038462 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0038462 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0038462 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0038462 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0038462 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0038462 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0038462 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0038462 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0038462 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0038462 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038462 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0038462 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0038462 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0038462 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0038462 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0038462 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0038462 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0038462 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0038462 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0038462 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0038462 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0038462 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0038462 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0038462 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0038462 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0038462 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0038462 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038462 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038462 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0038462 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0038462 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0038462 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0038462 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0038462 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0038462 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0038462 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0038462 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0038462 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0038462 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0038462 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0038462 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0038462 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0038462 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0038462 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0038462 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038462 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0038462 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0038462 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0038462 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0038462 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0038462 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0038462 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0038462 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0038462 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0038462 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0038462 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0038462 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0038462 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0038462 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0038462 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0038462 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0038462 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038462 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038462 k( 72) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0038462 k( 73) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0038462 k( 74) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0038462 k( 75) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0038462 k( 76) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0038462 k( 77) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0038462 k( 78) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0038462 k( 79) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0038462 k( 80) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0038462 k( 81) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0038462 k( 82) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0038462 k( 83) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0038462 k( 84) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0038462 k( 85) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0038462 k( 86) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0038462 k( 87) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0038462 k( 88) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0038462 k( 89) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0038462 k( 90) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0038462 k( 91) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0038462 k( 92) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0038462 k( 93) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0038462 k( 94) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0038462 k( 95) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0038462 k( 96) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0038462 k( 97) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0038462 k( 98) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0038462 k( 99) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0038462 k( 100) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0038462 k( 101) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0038462 k( 102) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0038462 k( 103) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0038462 k( 104) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0038462 k( 105) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0038462 k( 106) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0038462 k( 107) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0038462 k( 108) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0038462 k( 109) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0038462 k( 110) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0038462 k( 111) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0038462 k( 112) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0038462 k( 113) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0038462 k( 114) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0038462 k( 115) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0038462 k( 116) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0038462 k( 117) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0038462 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 120) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038462 k( 121) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038462 k( 122) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038462 k( 123) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038462 k( 124) = ( 0.0431035 0.0431034 0.0431034), wk = 0.0038462 k( 125) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038462 k( 126) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038462 k( 127) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038462 k( 128) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038462 k( 129) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038462 k( 130) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038462 k( 131) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038462 k( 132) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038462 k( 133) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038462 k( 134) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038462 k( 135) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038462 k( 136) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038462 k( 137) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038462 k( 138) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038462 k( 139) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038462 k( 140) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038462 k( 141) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038462 k( 142) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038462 k( 143) = ( 0.2068966 0.2068965 0.2068965), wk = 0.0038462 k( 144) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038462 k( 145) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038462 k( 146) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038462 k( 147) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038462 k( 148) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 k( 149) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038462 k( 150) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038462 k( 151) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038462 k( 152) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038462 k( 153) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038462 k( 154) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038462 k( 155) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038462 k( 156) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038462 k( 157) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038462 k( 158) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038462 k( 159) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038462 k( 160) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038462 k( 161) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038462 k( 162) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038462 k( 163) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038462 k( 164) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038462 k( 165) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038462 k( 166) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038462 k( 167) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038462 k( 168) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038462 k( 169) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038462 k( 170) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038462 k( 171) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038462 k( 172) = ( 0.4568966 0.4568965 0.4568965), wk = 0.0038462 k( 173) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038462 k( 174) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038462 k( 175) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038462 k( 176) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038462 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 179) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038462 k( 180) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038462 k( 181) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038462 k( 182) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038462 k( 183) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038462 k( 184) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038462 k( 185) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038462 k( 186) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038462 k( 187) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038462 k( 188) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038462 k( 189) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038462 k( 190) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038462 k( 191) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038462 k( 192) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038462 k( 193) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038462 k( 194) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038462 k( 195) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038462 k( 196) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038462 k( 197) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038462 k( 198) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038462 k( 199) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038462 k( 200) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038462 k( 201) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038462 k( 202) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0038462 k( 203) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038462 k( 204) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038462 k( 205) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038462 k( 206) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038462 k( 207) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038462 k( 208) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038462 k( 209) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038462 k( 210) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038462 k( 211) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038462 k( 212) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038462 k( 213) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038462 k( 214) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038462 k( 215) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038462 k( 216) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038462 k( 217) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038462 k( 218) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038462 k( 219) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038462 k( 220) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038462 k( 221) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038462 k( 222) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038462 k( 223) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038462 k( 224) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038462 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038462 k( 226) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038462 k( 227) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038462 k( 228) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038462 k( 229) = ( 0.5000000 0.5000000 0.0441176), wk = 0.0038462 k( 230) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038462 k( 231) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038462 k( 232) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038462 k( 233) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038462 k( 234) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038462 k( 235) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038462 k( 236) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038462 k( 237) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038462 k( 238) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038462 k( 239) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038462 k( 240) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038462 k( 241) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038462 k( 242) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038462 k( 243) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038462 k( 244) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038462 k( 245) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038462 k( 246) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0038462 k( 247) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038462 k( 248) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038462 k( 249) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038462 k( 250) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038462 k( 251) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038462 k( 252) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038462 k( 253) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038462 k( 254) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038462 k( 255) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038462 k( 256) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038462 k( 257) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038462 k( 258) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038462 k( 259) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038462 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0038462 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0038462 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0038462 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0038462 k( 6) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0038462 k( 7) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0038462 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0038462 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0038462 k( 10) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0038462 k( 11) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0038462 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0038462 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0038462 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0038462 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0038462 k( 16) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0038462 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0038462 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038462 k( 19) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0038462 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0038462 k( 21) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0038462 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0038462 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0038462 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0038462 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0038462 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0038462 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0038462 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0038462 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0038462 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0038462 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0038462 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0038462 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0038462 k( 34) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0038462 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0038462 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0038462 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0038462 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0038462 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0038462 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0038462 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0038462 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0038462 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0038462 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0038462 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0038462 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0038462 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0038462 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0038462 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0038462 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0038462 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038462 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0038462 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0038462 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0038462 k( 57) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0038462 k( 58) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0038462 k( 59) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0038462 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0038462 k( 61) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0038462 k( 62) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0038462 k( 63) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0038462 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0038462 k( 65) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0038462 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0038462 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0038462 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0038462 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0038462 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038462 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038462 k( 72) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0038462 k( 73) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0038462 k( 74) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0038462 k( 75) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0038462 k( 76) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0038462 k( 77) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0038462 k( 78) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0038462 k( 79) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0038462 k( 80) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0038462 k( 81) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0038462 k( 82) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0038462 k( 83) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0038462 k( 84) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0038462 k( 85) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0038462 k( 86) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0038462 k( 87) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0038462 k( 88) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0038462 k( 89) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0038462 k( 90) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0038462 k( 91) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0038462 k( 92) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0038462 k( 93) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0038462 k( 94) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0038462 k( 95) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0038462 k( 96) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0038462 k( 97) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0038462 k( 98) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0038462 k( 99) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0038462 k( 100) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0038462 k( 101) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0038462 k( 102) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0038462 k( 103) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0038462 k( 104) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0038462 k( 105) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0038462 k( 106) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0038462 k( 107) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0038462 k( 108) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0038462 k( 109) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0038462 k( 110) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0038462 k( 111) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0038462 k( 112) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0038462 k( 113) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0038462 k( 114) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0038462 k( 115) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0038462 k( 116) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0038462 k( 117) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0038462 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 120) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0038462 k( 121) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0038462 k( 122) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0038462 k( 123) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0038462 k( 124) = ( 0.0431035 0.0431035 0.0431035), wk = 0.0038462 k( 125) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0038462 k( 126) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0038462 k( 127) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0038462 k( 128) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0038462 k( 129) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0038462 k( 130) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0038462 k( 131) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0038462 k( 132) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0038462 k( 133) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0038462 k( 134) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0038462 k( 135) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0038462 k( 136) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0038462 k( 137) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0038462 k( 138) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0038462 k( 139) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0038462 k( 140) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0038462 k( 141) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0038462 k( 142) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0038462 k( 143) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0038462 k( 144) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0038462 k( 145) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0038462 k( 146) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0038462 k( 147) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0038462 k( 148) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 k( 149) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0038462 k( 150) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0038462 k( 151) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0038462 k( 152) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0038462 k( 153) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0038462 k( 154) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0038462 k( 155) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0038462 k( 156) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0038462 k( 157) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0038462 k( 158) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0038462 k( 159) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0038462 k( 160) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0038462 k( 161) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0038462 k( 162) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0038462 k( 163) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0038462 k( 164) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0038462 k( 165) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0038462 k( 166) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0038462 k( 167) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0038462 k( 168) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0038462 k( 169) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0038462 k( 170) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0038462 k( 171) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0038462 k( 172) = ( 0.4568966 0.4568966 0.4568966), wk = 0.0038462 k( 173) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0038462 k( 174) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0038462 k( 175) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0038462 k( 176) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0038462 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 179) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0038462 k( 180) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0038462 k( 181) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0038462 k( 182) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0038462 k( 183) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0038462 k( 184) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0038462 k( 185) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0038462 k( 186) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0038462 k( 187) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0038462 k( 188) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0038462 k( 189) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0038462 k( 190) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0038462 k( 191) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0038462 k( 192) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0038462 k( 193) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0038462 k( 194) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0038462 k( 195) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0038462 k( 196) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0038462 k( 197) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0038462 k( 198) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0038462 k( 199) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0038462 k( 200) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0038462 k( 201) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0038462 k( 202) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0038462 k( 203) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0038462 k( 204) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0038462 k( 205) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0038462 k( 206) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0038462 k( 207) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0038462 k( 208) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0038462 k( 209) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0038462 k( 210) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0038462 k( 211) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0038462 k( 212) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0038462 k( 213) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0038462 k( 214) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0038462 k( 215) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0038462 k( 216) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0038462 k( 217) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0038462 k( 218) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0038462 k( 219) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0038462 k( 220) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0038462 k( 221) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0038462 k( 222) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0038462 k( 223) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0038462 k( 224) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0038462 k( 225) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 226) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038462 k( 227) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038462 k( 228) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038462 k( 229) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0038462 k( 230) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038462 k( 231) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038462 k( 232) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038462 k( 233) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038462 k( 234) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038462 k( 235) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038462 k( 236) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038462 k( 237) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038462 k( 238) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038462 k( 239) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038462 k( 240) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038462 k( 241) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038462 k( 242) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038462 k( 243) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038462 k( 244) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038462 k( 245) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038462 k( 246) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0038462 k( 247) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038462 k( 248) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038462 k( 249) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038462 k( 250) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038462 k( 251) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038462 k( 252) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038462 k( 253) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038462 k( 254) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038462 k( 255) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038462 k( 256) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038462 k( 257) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038462 k( 258) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038462 k( 259) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038462 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038462 Dense grid: 70319 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 31103 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 216, 48) NL pseudopotentials 0.21 Mb ( 108, 130) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1953) G-vector shells 0.00 Mb ( 438) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 216, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ca3GeO.save/charge-density.dat Starting wfc are 64 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 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 12.7 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.4 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.7 secs Computing kpt #: 15 total cpu time spent up to now is 17.6 secs Computing kpt #: 16 total cpu time spent up to now is 18.5 secs Computing kpt #: 17 total cpu time spent up to now is 19.3 secs Computing kpt #: 18 total cpu time spent up to now is 20.3 secs Computing kpt #: 19 total cpu time spent up to now is 21.2 secs Computing kpt #: 20 total cpu time spent up to now is 22.1 secs Computing kpt #: 21 total cpu time spent up to now is 23.4 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.7 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 26.2 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.6 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.4 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 31.9 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 33.3 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 34.7 secs Computing kpt #: 30 total cpu time spent up to now is 35.8 secs Computing kpt #: 31 total cpu time spent up to now is 36.6 secs Computing kpt #: 32 total cpu time spent up to now is 37.4 secs Computing kpt #: 33 total cpu time spent up to now is 38.2 secs Computing kpt #: 34 total cpu time spent up to now is 39.0 secs Computing kpt #: 35 total cpu time spent up to now is 39.7 secs Computing kpt #: 36 total cpu time spent up to now is 40.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.3 secs Computing kpt #: 38 total cpu time spent up to now is 42.1 secs Computing kpt #: 39 total cpu time spent up to now is 42.8 secs Computing kpt #: 40 total cpu time spent up to now is 43.6 secs Computing kpt #: 41 total cpu time spent up to now is 44.4 secs Computing kpt #: 42 total cpu time spent up to now is 45.2 secs Computing kpt #: 43 total cpu time spent up to now is 46.1 secs Computing kpt #: 44 total cpu time spent up to now is 47.2 secs Computing kpt #: 45 total cpu time spent up to now is 48.1 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.6 secs Computing kpt #: 47 total cpu time spent up to now is 50.8 secs Computing kpt #: 48 total cpu time spent up to now is 51.7 secs Computing kpt #: 49 total cpu time spent up to now is 52.7 secs Computing kpt #: 50 total cpu time spent up to now is 53.6 secs Computing kpt #: 51 total cpu time spent up to now is 54.6 secs Computing kpt #: 52 total cpu time spent up to now is 55.6 secs Computing kpt #: 53 total cpu time spent up to now is 56.6 secs Computing kpt #: 54 total cpu time spent up to now is 57.6 secs Computing kpt #: 55 total cpu time spent up to now is 58.6 secs Computing kpt #: 56 total cpu time spent up to now is 59.6 secs Computing kpt #: 57 total cpu time spent up to now is 60.5 secs Computing kpt #: 58 total cpu time spent up to now is 61.5 secs Computing kpt #: 59 total cpu time spent up to now is 62.5 secs Computing kpt #: 60 total cpu time spent up to now is 63.5 secs Computing kpt #: 61 total cpu time spent up to now is 64.5 secs Computing kpt #: 62 total cpu time spent up to now is 65.4 secs Computing kpt #: 63 total cpu time spent up to now is 66.4 secs Computing kpt #: 64 total cpu time spent up to now is 67.4 secs Computing kpt #: 65 total cpu time spent up to now is 68.4 secs Computing kpt #: 66 total cpu time spent up to now is 69.4 secs Computing kpt #: 67 total cpu time spent up to now is 70.5 secs Computing kpt #: 68 total cpu time spent up to now is 71.5 secs Computing kpt #: 69 total cpu time spent up to now is 72.7 secs Computing kpt #: 70 total cpu time spent up to now is 73.8 secs Computing kpt #: 71 total cpu time spent up to now is 74.9 secs Computing kpt #: 72 total cpu time spent up to now is 76.0 secs Computing kpt #: 73 total cpu time spent up to now is 77.0 secs Computing kpt #: 74 total cpu time spent up to now is 78.0 secs Computing kpt #: 75 total cpu time spent up to now is 79.0 secs Computing kpt #: 76 total cpu time spent up to now is 80.0 secs Computing kpt #: 77 total cpu time spent up to now is 81.0 secs Computing kpt #: 78 total cpu time spent up to now is 82.0 secs Computing kpt #: 79 total cpu time spent up to now is 83.0 secs Computing kpt #: 80 total cpu time spent up to now is 84.0 secs Computing kpt #: 81 total cpu time spent up to now is 85.1 secs Computing kpt #: 82 total cpu time spent up to now is 86.1 secs Computing kpt #: 83 total cpu time spent up to now is 87.0 secs Computing kpt #: 84 total cpu time spent up to now is 88.1 secs Computing kpt #: 85 total cpu time spent up to now is 89.1 secs Computing kpt #: 86 total cpu time spent up to now is 90.0 secs Computing kpt #: 87 total cpu time spent up to now is 91.0 secs Computing kpt #: 88 total cpu time spent up to now is 91.8 secs Computing kpt #: 89 total cpu time spent up to now is 93.0 secs Computing kpt #: 90 total cpu time spent up to now is 94.0 secs Computing kpt #: 91 total cpu time spent up to now is 95.1 secs Computing kpt #: 92 total cpu time spent up to now is 96.2 secs Computing kpt #: 93 total cpu time spent up to now is 97.6 secs Computing kpt #: 94 total cpu time spent up to now is 98.4 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.8 secs Computing kpt #: 96 total cpu time spent up to now is 100.7 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 98 total cpu time spent up to now is 102.9 secs Computing kpt #: 99 total cpu time spent up to now is 103.8 secs Computing kpt #: 100 total cpu time spent up to now is 104.7 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.1 secs Computing kpt #: 102 total cpu time spent up to now is 106.9 secs Computing kpt #: 103 total cpu time spent up to now is 107.8 secs Computing kpt #: 104 total cpu time spent up to now is 108.5 secs Computing kpt #: 105 total cpu time spent up to now is 109.3 secs Computing kpt #: 106 total cpu time spent up to now is 110.0 secs Computing kpt #: 107 total cpu time spent up to now is 110.8 secs Computing kpt #: 108 total cpu time spent up to now is 111.7 secs Computing kpt #: 109 total cpu time spent up to now is 112.5 secs Computing kpt #: 110 total cpu time spent up to now is 113.4 secs Computing kpt #: 111 total cpu time spent up to now is 114.2 secs Computing kpt #: 112 total cpu time spent up to now is 115.2 secs Computing kpt #: 113 total cpu time spent up to now is 116.1 secs Computing kpt #: 114 total cpu time spent up to now is 116.9 secs Computing kpt #: 115 total cpu time spent up to now is 117.8 secs Computing kpt #: 116 total cpu time spent up to now is 118.7 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.1 secs Computing kpt #: 118 total cpu time spent up to now is 120.9 secs Computing kpt #: 119 total cpu time spent up to now is 121.7 secs Computing kpt #: 120 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 123.2 secs Computing kpt #: 121 total cpu time spent up to now is 124.1 secs Computing kpt #: 122 total cpu time spent up to now is 125.1 secs Computing kpt #: 123 total cpu time spent up to now is 126.2 secs Computing kpt #: 124 total cpu time spent up to now is 127.2 secs Computing kpt #: 125 total cpu time spent up to now is 128.3 secs Computing kpt #: 126 total cpu time spent up to now is 129.5 secs Computing kpt #: 127 total cpu time spent up to now is 130.5 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.0 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.4 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.8 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.2 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.9 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.3 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.5 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.9 secs Computing kpt #: 141 total cpu time spent up to now is 150.2 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.6 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.0 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.4 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.8 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.3 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 158.7 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.1 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.5 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 162.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.7 secs Computing kpt #: 153 total cpu time spent up to now is 166.7 secs Computing kpt #: 154 total cpu time spent up to now is 167.7 secs Computing kpt #: 155 total cpu time spent up to now is 168.5 secs Computing kpt #: 156 total cpu time spent up to now is 169.2 secs Computing kpt #: 157 total cpu time spent up to now is 170.0 secs Computing kpt #: 158 total cpu time spent up to now is 170.9 secs Computing kpt #: 159 total cpu time spent up to now is 171.8 secs Computing kpt #: 160 total cpu time spent up to now is 172.6 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.9 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.3 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.8 secs Computing kpt #: 164 total cpu time spent up to now is 177.7 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.1 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 180.5 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.9 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.2 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.6 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.4 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.8 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.2 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.6 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.5 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.9 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.3 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.0 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.3 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.7 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.1 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.5 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.8 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.2 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.6 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.0 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.3 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.7 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.1 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.5 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.9 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.3 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.7 secs Computing kpt #: 196 total cpu time spent up to now is 222.5 secs Computing kpt #: 197 total cpu time spent up to now is 223.6 secs Computing kpt #: 198 total cpu time spent up to now is 224.6 secs Computing kpt #: 199 total cpu time spent up to now is 225.8 secs Computing kpt #: 200 total cpu time spent up to now is 226.6 secs Computing kpt #: 201 total cpu time spent up to now is 227.4 secs Computing kpt #: 202 total cpu time spent up to now is 228.2 secs Computing kpt #: 203 total cpu time spent up to now is 229.2 secs Computing kpt #: 204 total cpu time spent up to now is 230.0 secs Computing kpt #: 205 total cpu time spent up to now is 230.7 secs Computing kpt #: 206 total cpu time spent up to now is 231.5 secs Computing kpt #: 207 total cpu time spent up to now is 232.3 secs Computing kpt #: 208 total cpu time spent up to now is 233.4 secs Computing kpt #: 209 total cpu time spent up to now is 234.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.8 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.2 secs Computing kpt #: 212 total cpu time spent up to now is 238.6 secs Computing kpt #: 213 total cpu time spent up to now is 239.7 secs Computing kpt #: 214 total cpu time spent up to now is 240.8 secs Computing kpt #: 215 total cpu time spent up to now is 242.0 secs Computing kpt #: 216 total cpu time spent up to now is 243.2 secs Computing kpt #: 217 total cpu time spent up to now is 244.4 secs Computing kpt #: 218 total cpu time spent up to now is 245.2 secs Computing kpt #: 219 total cpu time spent up to now is 246.1 secs Computing kpt #: 220 total cpu time spent up to now is 246.8 secs Computing kpt #: 221 total cpu time spent up to now is 247.6 secs Computing kpt #: 222 total cpu time spent up to now is 248.4 secs Computing kpt #: 223 total cpu time spent up to now is 249.2 secs Computing kpt #: 224 total cpu time spent up to now is 250.0 secs Computing kpt #: 225 total cpu time spent up to now is 250.7 secs Computing kpt #: 226 total cpu time spent up to now is 251.8 secs Computing kpt #: 227 total cpu time spent up to now is 252.9 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.4 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.9 secs Computing kpt #: 230 total cpu time spent up to now is 257.0 secs Computing kpt #: 231 total cpu time spent up to now is 258.3 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.7 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.5 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.9 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.3 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.7 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.1 secs Computing kpt #: 239 total cpu time spent up to now is 269.0 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.4 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.8 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.2 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.9 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.3 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.7 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.1 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.5 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.9 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.3 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.6 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.0 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.4 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.7 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.5 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.9 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.2 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.6 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.0 secs ethr = 2.50E-08, avg # of iterations = 85.5 total cpu time spent up to now is 298.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -32.7728 -32.7728 -32.6628 -32.6628 -32.6628 -32.6628 -14.1680 -14.1680 -14.1680 -14.1680 -13.9425 -13.9425 -13.7917 -13.7917 -13.6916 -13.6916 -13.6916 -13.6916 -13.5868 -13.5868 -13.4488 -13.4488 -13.4488 -13.4488 -10.5184 -10.5184 0.4880 0.4880 4.3271 4.3271 4.3426 4.3426 4.3426 4.3426 8.5068 8.5068 8.5847 8.5847 8.5847 8.5847 8.6670 8.6670 8.6670 8.6670 9.3101 9.3101 9.3111 9.3111 k = 0.0000 0.0147-0.0000 ( 3887 PWs) bands (ev): -32.7728 -32.7728 -32.6628 -32.6628 -32.6628 -32.6628 -14.1680 -14.1680 -14.1680 -14.1680 -13.9424 -13.9424 -13.7920 -13.7920 -13.6916 -13.6916 -13.6915 -13.6915 -13.5869 -13.5869 -13.4492 -13.4492 -13.4489 -13.4489 -10.5173 -10.5173 0.4889 0.4889 4.3261 4.3261 4.3411 4.3411 4.3424 4.3424 8.4601 8.4601 8.5660 8.5660 8.5864 8.5864 8.6606 8.6606 8.7177 8.7177 9.3119 9.3133 9.3183 9.3184 k = 0.0000 0.0294-0.0000 ( 3887 PWs) bands (ev): -32.7726 -32.7726 -32.6630 -32.6630 -32.6627 -32.6627 -14.1679 -14.1679 -14.1678 -14.1678 -13.9421 -13.9421 -13.7928 -13.7928 -13.6918 -13.6918 -13.6914 -13.6914 -13.5870 -13.5870 -13.4505 -13.4505 -13.4491 -13.4491 -10.5142 -10.5142 0.4914 0.4914 4.3223 4.3223 4.3373 4.3373 4.3415 4.3415 8.3612 8.3612 8.5448 8.5448 8.5915 8.5915 8.6426 8.6426 8.7949 8.7949 9.3139 9.3139 9.3395 9.3414 k = 0.0000 0.0441-0.0000 ( 3887 PWs) bands (ev): -32.7724 -32.7724 -32.6632 -32.6632 -32.6627 -32.6627 -14.1678 -14.1678 -14.1675 -14.1675 -13.9416 -13.9416 -13.7942 -13.7942 -13.6921 -13.6921 -13.6912 -13.6912 -13.5872 -13.5872 -13.4527 -13.4527 -13.4496 -13.4496 -10.5089 -10.5089 0.4956 0.4956 4.3139 4.3139 4.3333 4.3333 4.3402 4.3402 8.2463 8.2463 8.5186 8.5186 8.6000 8.6000 8.6149 8.6149 8.8683 8.8683 9.3178 9.3178 9.3722 9.3726 k = 0.0000 0.0588-0.0000 ( 3879 PWs) bands (ev): -32.7720 -32.7720 -32.6636 -32.6636 -32.6627 -32.6627 -14.1675 -14.1675 -14.1670 -14.1670 -13.9409 -13.9409 -13.7961 -13.7961 -13.6925 -13.6925 -13.6909 -13.6909 -13.5874 -13.5874 -13.4556 -13.4556 -13.4502 -13.4502 -10.5016 -10.5016 0.5015 0.5015 4.3000 4.3000 4.3299 4.3299 4.3382 4.3382 8.1240 8.1240 8.4864 8.4864 8.5803 8.5803 8.6119 8.6119 8.9348 8.9348 9.3233 9.3233 9.4153 9.4153 k = 0.0000 0.0735-0.0000 ( 3883 PWs) bands (ev): -32.7715 -32.7715 -32.6640 -32.6640 -32.6627 -32.6627 -14.1672 -14.1672 -14.1664 -14.1664 -13.9401 -13.9401 -13.7985 -13.7985 -13.6931 -13.6931 -13.6906 -13.6906 -13.5877 -13.5877 -13.4594 -13.4594 -13.4510 -13.4510 -10.4924 -10.4924 0.5090 0.5090 4.2813 4.2813 4.3268 4.3268 4.3358 4.3358 7.9973 7.9973 8.4496 8.4496 8.5410 8.5410 8.6271 8.6271 8.9947 8.9947 9.3303 9.3303 9.4665 9.4666 k = 0.0000 0.0882-0.0000 ( 3867 PWs) bands (ev): -32.7709 -32.7709 -32.6645 -32.6645 -32.6627 -32.6627 -14.1668 -14.1668 -14.1657 -14.1657 -13.9390 -13.9390 -13.8014 -13.8014 -13.6937 -13.6937 -13.6901 -13.6901 -13.5881 -13.5881 -13.4638 -13.4638 -13.4520 -13.4520 -10.4813 -10.4813 0.5181 0.5181 4.2584 4.2584 4.3236 4.3236 4.3329 4.3329 7.8681 7.8681 8.4097 8.4097 8.4988 8.4988 8.6456 8.6456 9.0497 9.0497 9.3388 9.3388 9.5243 9.5243 k = 0.0000 0.1029-0.0000 ( 3867 PWs) bands (ev): -32.7703 -32.7703 -32.6652 -32.6652 -32.6627 -32.6627 -14.1664 -14.1664 -14.1649 -14.1649 -13.9377 -13.9377 -13.8049 -13.8049 -13.6945 -13.6945 -13.6896 -13.6896 -13.5886 -13.5886 -13.4689 -13.4689 -13.4531 -13.4531 -10.4684 -10.4684 0.5287 0.5287 4.2318 4.2318 4.3201 4.3201 4.3295 4.3295 7.7376 7.7376 8.3678 8.3678 8.4549 8.4549 8.6674 8.6674 9.1013 9.1013 9.3488 9.3488 9.5873 9.5873 k = 0.0000 0.1176-0.0000 ( 3871 PWs) bands (ev): -32.7695 -32.7695 -32.6659 -32.6659 -32.6627 -32.6627 -14.1660 -14.1660 -14.1639 -14.1639 -13.9363 -13.9363 -13.8088 -13.8088 -13.6955 -13.6955 -13.6890 -13.6890 -13.5892 -13.5892 -13.4746 -13.4746 -13.4544 -13.4544 -10.4540 -10.4540 0.5408 0.5408 4.2019 4.2019 4.3162 4.3162 4.3257 4.3257 7.6067 7.6067 8.3249 8.3249 8.4104 8.4104 8.6923 8.6923 9.1509 9.1509 9.3603 9.3603 9.6546 9.6546 k = 0.0000 0.1324-0.0000 ( 3871 PWs) bands (ev): -32.7686 -32.7686 -32.6668 -32.6668 -32.6627 -32.6627 -14.1655 -14.1655 -14.1629 -14.1629 -13.9347 -13.9347 -13.8131 -13.8131 -13.6966 -13.6966 -13.6883 -13.6883 -13.5898 -13.5898 -13.4808 -13.4808 -13.4558 -13.4558 -10.4380 -10.4380 0.5543 0.5543 4.1691 4.1691 4.3119 4.3119 4.3215 4.3215 7.4763 7.4763 8.2817 8.2817 8.3658 8.3658 8.7203 8.7203 9.1997 9.1997 9.3731 9.3731 9.7255 9.7255 k = 0.0000 0.1471-0.0000 ( 3871 PWs) bands (ev): -32.7677 -32.7677 -32.6677 -32.6677 -32.6627 -32.6627 -14.1650 -14.1650 -14.1618 -14.1618 -13.9329 -13.9329 -13.8178 -13.8178 -13.6978 -13.6978 -13.6876 -13.6876 -13.5906 -13.5906 -13.4873 -13.4873 -13.4574 -13.4574 -10.4207 -10.4207 0.5690 0.5690 4.1338 4.1338 4.3074 4.3074 4.3169 4.3169 7.3469 7.3469 8.2387 8.2387 8.3217 8.3217 8.7513 8.7513 9.2486 9.2486 9.3873 9.3873 9.7994 9.7994 k = 0.0000 0.1618-0.0000 ( 3871 PWs) bands (ev): -32.7666 -32.7666 -32.6687 -32.6687 -32.6626 -32.6626 -14.1644 -14.1644 -14.1606 -14.1606 -13.9310 -13.9310 -13.8229 -13.8229 -13.6992 -13.6992 -13.6868 -13.6868 -13.5914 -13.5914 -13.4942 -13.4942 -13.4590 -13.4590 -10.4022 -10.4022 0.5851 0.5851 4.0962 4.0962 4.3026 4.3026 4.3120 4.3120 7.2190 7.2190 8.1962 8.1962 8.2783 8.2783 8.7853 8.7853 9.2983 9.2983 9.4029 9.4029 9.8759 9.8759 k = 0.0000 0.1765-0.0000 ( 3871 PWs) bands (ev): -32.7655 -32.7655 -32.6698 -32.6698 -32.6626 -32.6626 -14.1639 -14.1639 -14.1593 -14.1593 -13.9290 -13.9290 -13.8282 -13.8282 -13.7008 -13.7008 -13.6859 -13.6859 -13.5924 -13.5924 -13.5013 -13.5013 -13.4607 -13.4607 -10.3827 -10.3827 0.6022 0.6022 4.0570 4.0570 4.2975 4.2975 4.3069 4.3069 7.0933 7.0933 8.1546 8.1546 8.2359 8.2359 8.8220 8.8220 9.3493 9.3493 9.4197 9.4197 9.9546 9.9547 k = 0.0000 0.1912-0.0000 ( 3879 PWs) bands (ev): -32.7643 -32.7643 -32.6710 -32.6710 -32.6626 -32.6626 -14.1633 -14.1633 -14.1580 -14.1580 -13.9270 -13.9270 -13.8338 -13.8338 -13.7025 -13.7025 -13.6849 -13.6849 -13.5934 -13.5934 -13.5086 -13.5086 -13.4626 -13.4626 -10.3624 -10.3624 0.6203 0.6203 4.0164 4.0164 4.2922 4.2922 4.3015 4.3015 6.9699 6.9699 8.1141 8.1141 8.1948 8.1948 8.8615 8.8615 9.4019 9.4019 9.4376 9.4376 10.0354 10.0355 k = 0.0000 0.2059-0.0000 ( 3875 PWs) bands (ev): -32.7630 -32.7630 -32.6722 -32.6722 -32.6626 -32.6626 -14.1627 -14.1627 -14.1566 -14.1566 -13.9249 -13.9249 -13.8393 -13.8393 -13.7045 -13.7045 -13.6838 -13.6838 -13.5945 -13.5945 -13.5159 -13.5159 -13.4645 -13.4645 -10.3415 -10.3415 0.6393 0.6393 3.9748 3.9748 4.2867 4.2867 4.2959 4.2959 6.8493 6.8493 8.0749 8.0749 8.1551 8.1551 8.9034 8.9034 9.4563 9.4563 9.4566 9.4566 10.1179 10.1179 k = 0.0000 0.2206-0.0000 ( 3879 PWs) bands (ev): -32.7616 -32.7616 -32.6735 -32.6735 -32.6626 -32.6626 -14.1620 -14.1620 -14.1552 -14.1552 -13.9229 -13.9229 -13.8449 -13.8449 -13.7066 -13.7066 -13.6826 -13.6826 -13.5958 -13.5958 -13.5231 -13.5231 -13.4664 -13.4664 -10.3200 -10.3200 0.6590 0.6590 3.9327 3.9327 4.2811 4.2811 4.2903 4.2903 6.7318 6.7318 8.0370 8.0370 8.1169 8.1169 8.9476 8.9476 9.4767 9.4767 9.5128 9.5128 10.2019 10.2020 k = 0.0000 0.2353-0.0000 ( 3875 PWs) bands (ev): -32.7602 -32.7602 -32.6749 -32.6749 -32.6626 -32.6626 -14.1614 -14.1614 -14.1538 -14.1538 -13.9212 -13.9212 -13.8501 -13.8501 -13.7090 -13.7090 -13.6813 -13.6813 -13.5971 -13.5971 -13.5303 -13.5303 -13.4684 -13.4684 -10.2983 -10.2983 0.6794 0.6794 3.8905 3.8905 4.2755 4.2755 4.2845 4.2845 6.6178 6.6178 8.0007 8.0007 8.0803 8.0803 8.9940 8.9940 9.4977 9.4977 9.5713 9.5713 10.2874 10.2874 k = 0.0000 0.2500-0.0000 ( 3867 PWs) bands (ev): -32.7587 -32.7587 -32.6764 -32.6764 -32.6626 -32.6626 -14.1607 -14.1607 -14.1523 -14.1523 -13.9198 -13.9198 -13.8549 -13.8549 -13.7116 -13.7116 -13.6799 -13.6799 -13.5985 -13.5985 -13.5373 -13.5373 -13.4703 -13.4703 -10.2765 -10.2765 0.7002 0.7002 3.8485 3.8485 4.2698 4.2698 4.2787 4.2787 6.5075 6.5075 7.9661 7.9661 8.0454 8.0454 9.0423 9.0423 9.5195 9.5195 9.6320 9.6320 10.3741 10.3741 k = 0.0000 0.2647-0.0000 ( 3872 PWs) bands (ev): -32.7571 -32.7571 -32.6779 -32.6779 -32.6626 -32.6626 -14.1600 -14.1600 -14.1508 -14.1508 -13.9191 -13.9191 -13.8590 -13.8590 -13.7144 -13.7144 -13.6784 -13.6784 -13.6000 -13.6000 -13.5441 -13.5441 -13.4723 -13.4723 -10.2548 -10.2548 0.7212 0.7212 3.8072 3.8072 4.2641 4.2641 4.2730 4.2730 6.4012 6.4012 7.9331 7.9331 8.0123 8.0123 9.0922 9.0922 9.5419 9.5419 9.6948 9.6948 10.4618 10.4618 k = 0.0000 0.2794-0.0000 ( 3868 PWs) bands (ev): -32.7555 -32.7555 -32.6794 -32.6794 -32.6625 -32.6625 -14.1593 -14.1593 -14.1494 -14.1494 -13.9192 -13.9192 -13.8619 -13.8619 -13.7176 -13.7176 -13.6768 -13.6768 -13.6016 -13.6016 -13.5506 -13.5506 -13.4743 -13.4743 -10.2333 -10.2333 0.7423 0.7423 3.7668 3.7668 4.2585 4.2585 4.2673 4.2673 6.2993 6.2993 7.9019 7.9019 7.9809 7.9809 9.1436 9.1436 9.5649 9.5649 9.7597 9.7597 10.5505 10.5506 k = 0.0000 0.2941-0.0000 ( 3880 PWs) bands (ev): -32.7539 -32.7539 -32.6810 -32.6810 -32.6625 -32.6625 -14.1587 -14.1587 -14.1479 -14.1479 -13.9205 -13.9205 -13.8636 -13.8636 -13.7210 -13.7210 -13.6751 -13.6751 -13.6034 -13.6034 -13.5569 -13.5569 -13.4763 -13.4763 -10.2123 -10.2123 0.7634 0.7634 3.7276 3.7276 4.2530 4.2530 4.2617 4.2617 6.2020 6.2020 7.8726 7.8726 7.9515 7.9515 9.1959 9.1959 9.5881 9.5881 9.8268 9.8268 10.6399 10.6400 k = 0.0000 0.3088-0.0000 ( 3892 PWs) bands (ev): -32.7522 -32.7522 -32.6826 -32.6826 -32.6625 -32.6625 -14.1580 -14.1580 -14.1466 -14.1466 -13.9228 -13.9228 -13.8639 -13.8639 -13.7247 -13.7247 -13.6734 -13.6734 -13.6053 -13.6053 -13.5627 -13.5627 -13.4782 -13.4782 -10.1919 -10.1919 0.7842 0.7842 3.6901 3.6901 4.2477 4.2477 4.2563 4.2563 6.1095 6.1095 7.8450 7.8450 7.9239 7.9239 9.2488 9.2488 9.6116 9.6116 9.8958 9.8958 10.7301 10.7303 k = 0.0000 0.3235-0.0000 ( 3888 PWs) bands (ev): -32.7505 -32.7505 -32.6843 -32.6843 -32.6625 -32.6625 -14.1573 -14.1573 -14.1452 -14.1452 -13.9260 -13.9260 -13.8627 -13.8627 -13.7286 -13.7286 -13.6715 -13.6715 -13.6072 -13.6072 -13.5681 -13.5681 -13.4800 -13.4800 -10.1723 -10.1723 0.8045 0.8045 3.6544 3.6544 4.2426 4.2426 4.2511 4.2511 6.0223 6.0223 7.8195 7.8195 7.8982 7.8982 9.3019 9.3019 9.6350 9.6350 9.9669 9.9669 10.8215 10.8346 k = 0.0000 0.3382-0.0000 ( 3892 PWs) bands (ev): -32.7488 -32.7488 -32.6859 -32.6859 -32.6625 -32.6625 -14.1568 -14.1568 -14.1439 -14.1439 -13.9300 -13.9300 -13.8605 -13.8605 -13.7328 -13.7328 -13.6696 -13.6696 -13.6093 -13.6093 -13.5731 -13.5731 -13.4817 -13.4817 -10.1536 -10.1536 0.8241 0.8241 3.6208 3.6208 4.2378 4.2378 4.2461 4.2461 5.9406 5.9406 7.7958 7.7958 7.8745 7.8745 9.3547 9.3547 9.6582 9.6582 10.0397 10.0397 10.9122 10.9224 k = 0.0000 0.3529-0.0000 ( 3884 PWs) bands (ev): -32.7471 -32.7471 -32.6876 -32.6876 -32.6625 -32.6625 -14.1561 -14.1561 -14.1426 -14.1426 -13.9343 -13.9343 -13.8574 -13.8574 -13.7373 -13.7373 -13.6675 -13.6675 -13.6114 -13.6114 -13.5776 -13.5776 -13.4833 -13.4833 -10.1360 -10.1360 0.8428 0.8428 3.5895 3.5895 4.2332 4.2332 4.2415 4.2415 5.8647 5.8647 7.7741 7.7741 7.8528 7.8528 9.4067 9.4067 9.6808 9.6808 10.1142 10.1142 11.0039 11.0050 k = 0.0000 0.3676-0.0000 ( 3888 PWs) bands (ev): -32.7455 -32.7455 -32.6892 -32.6892 -32.6625 -32.6625 -14.1556 -14.1556 -14.1415 -14.1415 -13.9388 -13.9388 -13.8536 -13.8536 -13.7420 -13.7420 -13.6654 -13.6654 -13.6136 -13.6136 -13.5817 -13.5817 -13.4848 -13.4848 -10.1196 -10.1196 0.8605 0.8605 3.5608 3.5608 4.2289 4.2289 4.2372 4.2372 5.7948 5.7948 7.7544 7.7544 7.8331 7.8331 9.4573 9.4573 9.7026 9.7026 10.1902 10.1902 11.0958 11.1094 k = 0.0000 0.3824-0.0000 ( 3884 PWs) bands (ev): -32.7439 -32.7439 -32.6908 -32.6908 -32.6624 -32.6624 -14.1551 -14.1551 -14.1404 -14.1404 -13.9432 -13.9432 -13.8493 -13.8493 -13.7469 -13.7469 -13.6632 -13.6632 -13.6158 -13.6158 -13.5853 -13.5853 -13.4862 -13.4862 -10.1046 -10.1046 0.8769 0.8769 3.5347 3.5347 4.2250 4.2250 4.2332 4.2332 5.7313 5.7313 7.7368 7.7368 7.8154 7.8154 9.5057 9.5057 9.7234 9.7234 10.2676 10.2676 11.1906 11.2044 k = 0.0000 0.3971-0.0000 ( 3892 PWs) bands (ev): -32.7423 -32.7423 -32.6923 -32.6923 -32.6624 -32.6624 -14.1546 -14.1546 -14.1395 -14.1395 -13.9475 -13.9475 -13.8447 -13.8447 -13.7520 -13.7520 -13.6610 -13.6610 -13.6181 -13.6181 -13.5884 -13.5884 -13.4874 -13.4874 -10.0911 -10.0911 0.8919 0.8919 3.5115 3.5115 4.2215 4.2215 4.2296 4.2296 5.6745 5.6745 7.7211 7.7211 7.7997 7.7997 9.5511 9.5511 9.7427 9.7427 10.3460 10.3460 11.2859 11.2969 k = 0.0000 0.4118-0.0000 ( 3892 PWs) bands (ev): -32.7409 -32.7409 -32.6937 -32.6937 -32.6624 -32.6624 -14.1541 -14.1541 -14.1386 -14.1386 -13.9513 -13.9513 -13.8399 -13.8399 -13.7571 -13.7571 -13.6588 -13.6588 -13.6204 -13.6204 -13.5911 -13.5911 -13.4885 -13.4885 -10.0791 -10.0791 0.9053 0.9053 3.4912 3.4912 4.2184 4.2184 4.2264 4.2264 5.6247 5.6247 7.7075 7.7075 7.7861 7.7861 9.5929 9.5929 9.7604 9.7604 10.4252 10.4252 11.3744 11.3824 k = 0.0000 0.4265-0.0000 ( 3892 PWs) bands (ev): -32.7395 -32.7395 -32.6950 -32.6950 -32.6624 -32.6624 -14.1537 -14.1537 -14.1379 -14.1379 -13.9547 -13.9547 -13.8350 -13.8350 -13.7623 -13.7623 -13.6566 -13.6566 -13.6227 -13.6227 -13.5934 -13.5934 -13.4895 -13.4895 -10.0688 -10.0688 0.9169 0.9169 3.4740 3.4740 4.2158 4.2158 4.2237 4.2237 5.5820 5.5820 7.6960 7.6960 7.7746 7.7746 9.6302 9.6302 9.7760 9.7760 10.5044 10.5044 11.3692 11.3692 k = 0.0000 0.4412-0.0000 ( 3904 PWs) bands (ev): -32.7384 -32.7384 -32.6962 -32.6962 -32.6624 -32.6624 -14.1534 -14.1534 -14.1372 -14.1372 -13.9577 -13.9577 -13.8301 -13.8301 -13.7673 -13.7673 -13.6545 -13.6545 -13.6249 -13.6249 -13.5953 -13.5953 -13.4903 -13.4903 -10.0603 -10.0603 0.9266 0.9266 3.4597 3.4597 4.2136 4.2136 4.2215 4.2215 5.5467 5.5467 7.6866 7.6866 7.7652 7.7652 9.6621 9.6621 9.7893 9.7893 10.5830 10.5830 11.3004 11.3004 k = 0.0000 0.4559-0.0000 ( 3904 PWs) bands (ev): -32.7374 -32.7374 -32.6971 -32.6971 -32.6624 -32.6624 -14.1532 -14.1532 -14.1368 -14.1368 -13.9600 -13.9600 -13.8256 -13.8256 -13.7719 -13.7719 -13.6526 -13.6526 -13.6269 -13.6269 -13.5967 -13.5967 -13.4909 -13.4909 -10.0536 -10.0536 0.9342 0.9342 3.4487 3.4487 4.2118 4.2118 4.2197 4.2197 5.5190 5.5190 7.6792 7.6792 7.7578 7.7578 9.6879 9.6879 9.7999 9.7999 10.6593 10.6593 11.2306 11.2306 k = 0.0000 0.4706-0.0000 ( 3900 PWs) bands (ev): -32.7367 -32.7367 -32.6978 -32.6978 -32.6624 -32.6624 -14.1530 -14.1530 -14.1364 -14.1364 -13.9617 -13.9617 -13.8217 -13.8217 -13.7759 -13.7759 -13.6510 -13.6510 -13.6285 -13.6285 -13.5978 -13.5978 -13.4914 -13.4914 -10.0488 -10.0488 0.9398 0.9398 3.4407 3.4407 4.2106 4.2106 4.2184 4.2184 5.4992 5.4992 7.6740 7.6740 7.7526 7.7526 9.7069 9.7069 9.8078 9.8078 10.7299 10.7299 11.1641 11.1641 k = 0.0000 0.4853-0.0000 ( 3876 PWs) bands (ev): -32.7363 -32.7363 -32.6982 -32.6982 -32.6624 -32.6624 -14.1528 -14.1528 -14.1360 -14.1360 -13.9627 -13.9627 -13.8188 -13.8188 -13.7786 -13.7786 -13.6497 -13.6497 -13.6296 -13.6296 -13.5984 -13.5984 -13.4916 -13.4916 -10.0459 -10.0459 0.9431 0.9431 3.4360 3.4360 4.2098 4.2098 4.2177 4.2177 5.4872 5.4872 7.6709 7.6709 7.7495 7.7495 9.7186 9.7186 9.8125 9.8125 10.7865 10.7865 11.1099 11.1099 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.7361 -32.7361 -32.6984 -32.6984 -32.6624 -32.6624 -14.1527 -14.1527 -14.1359 -14.1359 -13.9630 -13.9630 -13.8178 -13.8178 -13.7797 -13.7797 -13.6492 -13.6492 -13.6300 -13.6300 -13.5986 -13.5986 -13.4917 -13.4917 -10.0449 -10.0449 0.9442 0.9442 3.4344 3.4344 4.2096 4.2096 4.2174 4.2174 5.4832 5.4832 7.6698 7.6698 7.7484 7.7484 9.7225 9.7225 9.8141 9.8141 10.8104 10.8104 11.0867 11.0867 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.7361 -32.7361 -32.6984 -32.6984 -32.6624 -32.6624 -14.1527 -14.1527 -14.1359 -14.1359 -13.9630 -13.9630 -13.8178 -13.8178 -13.7797 -13.7797 -13.6492 -13.6492 -13.6300 -13.6300 -13.5986 -13.5986 -13.4917 -13.4917 -10.0449 -10.0449 0.9442 0.9442 3.4344 3.4344 4.2096 4.2096 4.2174 4.2174 5.4832 5.4832 7.6698 7.6698 7.7484 7.7484 9.7225 9.7225 9.8141 9.8141 10.8104 10.8104 11.0867 11.0867 k = 0.0147 0.5000-0.0000 ( 3876 PWs) bands (ev): -32.7361 -32.7361 -32.6984 -32.6984 -32.6624 -32.6624 -14.1561 -14.1561 -14.1334 -14.1334 -13.9633 -13.9633 -13.8182 -13.8182 -13.7787 -13.7787 -13.6500 -13.6500 -13.6294 -13.6294 -13.5983 -13.5983 -13.4918 -13.4918 -10.0441 -10.0441 0.9448 0.9448 3.4338 3.4338 4.2077 4.2077 4.2160 4.2160 5.4853 5.4853 7.6675 7.6675 7.7461 7.7461 9.7250 9.7250 9.8156 9.8156 10.8143 10.8143 11.0866 11.0866 k = 0.0294 0.5000-0.0000 ( 3892 PWs) bands (ev): -32.7360 -32.7360 -32.6984 -32.6984 -32.6625 -32.6625 -14.1633 -14.1633 -14.1283 -14.1283 -13.9641 -13.9641 -13.8193 -13.8193 -13.7760 -13.7760 -13.6522 -13.6522 -13.6279 -13.6279 -13.5976 -13.5976 -13.4919 -13.4919 -10.0417 -10.0417 0.9465 0.9465 3.4320 3.4320 4.2003 4.2003 4.2135 4.2135 5.4915 5.4915 7.6597 7.6597 7.7397 7.7397 9.7325 9.7325 9.8199 9.8199 10.8258 10.8258 11.0861 11.0861 k = 0.0441 0.5000-0.0000 ( 3888 PWs) bands (ev): -32.7358 -32.7358 -32.6984 -32.6984 -32.6627 -32.6627 -14.1721 -14.1721 -14.1229 -14.1229 -13.9655 -13.9655 -13.8206 -13.8206 -13.7718 -13.7718 -13.6550 -13.6550 -13.6261 -13.6261 -13.5963 -13.5963 -13.4922 -13.4922 -10.0377 -10.0377 0.9492 0.9492 3.4290 3.4290 4.1863 4.1863 4.2113 4.2113 5.5017 5.5017 7.6453 7.6453 7.7312 7.7312 9.7447 9.7447 9.8270 9.8270 10.8447 10.8447 11.0853 11.0853 k = 0.0588 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7355 -32.7355 -32.6984 -32.6984 -32.6630 -32.6630 -14.1820 -14.1820 -14.1178 -14.1178 -13.9672 -13.9672 -13.8219 -13.8219 -13.7665 -13.7665 -13.6583 -13.6583 -13.6243 -13.6243 -13.5943 -13.5943 -13.4925 -13.4925 -10.0321 -10.0321 0.9530 0.9530 3.4248 3.4248 4.1665 4.1665 4.2089 4.2089 5.5158 5.5158 7.6227 7.6227 7.7225 7.7225 9.7612 9.7612 9.8370 9.8370 10.8706 10.8706 11.0840 11.0840 k = 0.0735 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7351 -32.7351 -32.6984 -32.6984 -32.6633 -32.6633 -14.1926 -14.1926 -14.1131 -14.1131 -13.9695 -13.9695 -13.8231 -13.8231 -13.7606 -13.7606 -13.6617 -13.6617 -13.6229 -13.6229 -13.5919 -13.5919 -13.4930 -13.4930 -10.0251 -10.0251 0.9579 0.9579 3.4195 3.4195 4.1414 4.1414 4.2061 4.2061 5.5334 5.5334 7.5916 7.5916 7.7148 7.7148 9.7818 9.7818 9.8497 9.8497 10.9031 10.9031 11.0820 11.0820 k = 0.0882 0.5000-0.0000 ( 3886 PWs) bands (ev): -32.7346 -32.7346 -32.6984 -32.6984 -32.6637 -32.6637 -14.2040 -14.2040 -14.1087 -14.1087 -13.9720 -13.9720 -13.8239 -13.8239 -13.7542 -13.7542 -13.6651 -13.6651 -13.6218 -13.6218 -13.5889 -13.5889 -13.4936 -13.4936 -10.0166 -10.0166 0.9638 0.9638 3.4131 3.4131 4.1116 4.1116 4.2027 4.2027 5.5543 5.5543 7.5530 7.5530 7.7081 7.7081 9.8060 9.8060 9.8651 9.8651 10.9415 10.9415 11.0794 11.0794 k = 0.1029 0.5000-0.0000 ( 3884 PWs) bands (ev): -32.7341 -32.7341 -32.6984 -32.6984 -32.6642 -32.6642 -14.2160 -14.2160 -14.1046 -14.1046 -13.9749 -13.9749 -13.8244 -13.8244 -13.7475 -13.7475 -13.6684 -13.6684 -13.6212 -13.6212 -13.5854 -13.5854 -13.4942 -13.4942 -10.0067 -10.0067 0.9708 0.9708 3.4056 3.4056 4.0777 4.0777 4.1989 4.1989 5.5782 5.5782 7.5082 7.5082 7.7019 7.7019 9.8334 9.8334 9.8832 9.8832 10.9852 10.9852 11.0758 11.0758 k = 0.1176 0.5000-0.0000 ( 3888 PWs) bands (ev): -32.7335 -32.7335 -32.6983 -32.6983 -32.6648 -32.6648 -14.2286 -14.2286 -14.1009 -14.1009 -13.9781 -13.9781 -13.8246 -13.8246 -13.7407 -13.7407 -13.6717 -13.6717 -13.6209 -13.6209 -13.5815 -13.5815 -13.4949 -13.4949 -9.9956 -9.9956 0.9786 0.9786 3.3971 3.3971 4.0401 4.0401 4.1946 4.1946 5.6048 5.6048 7.4584 7.4584 7.6960 7.6960 9.8637 9.8637 9.9038 9.9038 11.0334 11.0334 11.0710 11.0710 k = 0.1324 0.5000-0.0000 ( 3896 PWs) bands (ev): -32.7329 -32.7329 -32.6983 -32.6983 -32.6654 -32.6654 -14.2417 -14.2417 -14.0975 -14.0975 -13.9814 -13.9814 -13.8244 -13.8244 -13.7339 -13.7339 -13.6748 -13.6748 -13.6210 -13.6210 -13.5775 -13.5775 -13.4956 -13.4956 -9.9833 -9.9833 0.9874 0.9874 3.3876 3.3876 3.9993 3.9993 4.1899 4.1899 5.6338 5.6338 7.4048 7.4048 7.6901 7.6901 9.8965 9.8965 9.9269 9.9269 11.0647 11.0647 11.0852 11.0852 k = 0.1471 0.5000-0.0000 ( 3896 PWs) bands (ev): -32.7321 -32.7321 -32.6983 -32.6983 -32.6661 -32.6661 -14.2550 -14.2550 -14.0943 -14.0943 -13.9848 -13.9848 -13.8239 -13.8239 -13.7274 -13.7274 -13.6776 -13.6776 -13.6214 -13.6214 -13.5732 -13.5732 -13.4963 -13.4963 -9.9698 -9.9698 0.9971 0.9971 3.3773 3.3773 3.9558 3.9558 4.1848 4.1848 5.6650 5.6650 7.3483 7.3483 7.6840 7.6840 9.9317 9.9317 9.9523 9.9523 11.0564 11.0564 11.1035 11.1057 k = 0.1618 0.5000-0.0000 ( 3892 PWs) bands (ev): -32.7313 -32.7313 -32.6983 -32.6983 -32.6669 -32.6669 -14.2687 -14.2687 -14.0914 -14.0914 -13.9883 -13.9883 -13.8231 -13.8231 -13.7212 -13.7212 -13.6800 -13.6800 -13.6219 -13.6219 -13.5688 -13.5688 -13.4970 -13.4970 -9.9554 -9.9554 1.0075 1.0075 3.3661 3.3661 3.9101 3.9101 4.1793 4.1793 5.6981 5.6981 7.2898 7.2898 7.6778 7.6778 9.9691 9.9691 9.9801 9.9801 11.0458 11.0458 11.0701 11.0701 k = 0.1765 0.5000-0.0000 ( 3888 PWs) bands (ev): -32.7304 -32.7304 -32.6983 -32.6983 -32.6677 -32.6677 -14.2826 -14.2826 -14.0886 -14.0886 -13.9919 -13.9919 -13.8220 -13.8220 -13.7155 -13.7155 -13.6820 -13.6820 -13.6227 -13.6227 -13.5643 -13.5643 -13.4977 -13.4977 -9.9402 -9.9402 1.0187 1.0187 3.3541 3.3541 3.8627 3.8627 4.1736 4.1736 5.7329 5.7329 7.2301 7.2301 7.6714 7.6714 10.0074 10.0074 10.0110 10.0110 11.0313 11.0313 11.0391 11.0391 k = 0.1912 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7294 -32.7294 -32.6983 -32.6983 -32.6686 -32.6686 -14.2965 -14.2965 -14.0860 -14.0860 -13.9955 -13.9955 -13.8207 -13.8207 -13.7107 -13.7107 -13.6833 -13.6833 -13.6237 -13.6237 -13.5599 -13.5599 -13.4983 -13.4983 -9.9242 -9.9242 1.0306 1.0306 3.3414 3.3414 3.8141 3.8141 4.1676 4.1676 5.7691 5.7691 7.1698 7.1698 7.6649 7.6649 10.0410 10.0410 10.0506 10.0506 11.0051 11.0051 11.0180 11.0180 k = 0.2059 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7284 -32.7284 -32.6983 -32.6983 -32.6696 -32.6696 -14.3104 -14.3104 -14.0836 -14.0836 -13.9990 -13.9990 -13.8192 -13.8192 -13.7071 -13.7071 -13.6835 -13.6835 -13.6249 -13.6249 -13.5555 -13.5555 -13.4988 -13.4988 -9.9077 -9.9077 1.0431 1.0431 3.3282 3.3282 3.7646 3.7646 4.1614 4.1614 5.8066 5.8066 7.1095 7.1095 7.6582 7.6582 10.0746 10.0746 10.0936 10.0936 10.9758 10.9758 10.9978 10.9978 k = 0.2206 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7273 -32.7273 -32.6982 -32.6982 -32.6706 -32.6706 -14.3242 -14.3242 -14.0813 -14.0813 -14.0025 -14.0025 -13.8175 -13.8175 -13.7050 -13.7050 -13.6823 -13.6823 -13.6262 -13.6262 -13.5512 -13.5512 -13.4993 -13.4993 -9.8907 -9.8907 1.0560 1.0560 3.3145 3.3145 3.7147 3.7147 4.1551 4.1551 5.8452 5.8452 7.0498 7.0498 7.6514 7.6514 10.1097 10.1097 10.1385 10.1385 10.9477 10.9477 10.9739 10.9739 k = 0.2353 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7262 -32.7262 -32.6982 -32.6982 -32.6717 -32.6717 -14.3379 -14.3379 -14.0792 -14.0792 -14.0058 -14.0058 -13.8156 -13.8156 -13.7043 -13.7043 -13.6800 -13.6800 -13.6277 -13.6277 -13.5470 -13.5470 -13.4997 -13.4997 -9.8734 -9.8734 1.0694 1.0694 3.3003 3.3003 3.6647 3.6647 4.1487 4.1487 5.8845 5.8845 6.9909 6.9909 7.6445 7.6445 10.1463 10.1463 10.1850 10.1850 10.9211 10.9211 10.9459 10.9459 k = 0.2500 0.5000-0.0000 ( 3894 PWs) bands (ev): -32.7250 -32.7250 -32.6982 -32.6982 -32.6728 -32.6728 -14.3513 -14.3513 -14.0773 -14.0773 -14.0090 -14.0090 -13.8136 -13.8136 -13.7046 -13.7046 -13.6771 -13.6771 -13.6294 -13.6294 -13.5429 -13.5429 -13.4999 -13.4999 -9.8559 -9.8559 1.0830 1.0830 3.2859 3.2859 3.6152 3.6152 4.1423 4.1423 5.9244 5.9244 6.9335 6.9335 7.6376 7.6376 10.1841 10.1841 10.2330 10.2330 10.8961 10.8961 10.9140 10.9140 k = 0.2647 0.5000-0.0000 ( 3892 PWs) bands (ev): -32.7237 -32.7237 -32.6982 -32.6982 -32.6740 -32.6740 -14.3643 -14.3643 -14.0756 -14.0756 -14.0121 -14.0121 -13.8115 -13.8115 -13.7054 -13.7054 -13.6738 -13.6738 -13.6311 -13.6311 -13.5390 -13.5390 -13.5000 -13.5000 -9.8385 -9.8385 1.0969 1.0969 3.2713 3.2713 3.5664 3.5664 4.1359 4.1359 5.9646 5.9646 6.8778 6.8778 7.6307 7.6307 10.2230 10.2230 10.2823 10.2823 10.8726 10.8726 10.8783 10.8783 k = 0.2794 0.5000-0.0000 ( 3882 PWs) bands (ev): -32.7224 -32.7224 -32.6982 -32.6982 -32.6753 -32.6753 -14.3769 -14.3769 -14.0740 -14.0740 -14.0149 -14.0149 -13.8093 -13.8093 -13.7064 -13.7064 -13.6707 -13.6707 -13.6329 -13.6329 -13.5351 -13.5351 -13.5000 -13.5000 -9.8212 -9.8212 1.1109 1.1109 3.2567 3.2567 3.5187 3.5187 4.1297 4.1297 6.0049 6.0049 6.8241 6.8241 7.6239 7.6239 10.2626 10.2626 10.3328 10.3328 10.8393 10.8393 10.8508 10.8508 k = 0.2941 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7210 -32.7210 -32.6981 -32.6981 -32.6766 -32.6766 -14.3890 -14.3890 -14.0727 -14.0727 -14.0176 -14.0176 -13.8071 -13.8071 -13.7075 -13.7075 -13.6678 -13.6678 -13.6349 -13.6349 -13.5315 -13.5315 -13.4998 -13.4998 -9.8042 -9.8042 1.1248 1.1248 3.2421 3.2421 3.4724 3.4724 4.1235 4.1235 6.0449 6.0449 6.7728 6.7728 7.6173 7.6173 10.3028 10.3028 10.3843 10.3843 10.7977 10.7977 10.8305 10.8305 k = 0.3088 0.5000-0.0000 ( 3882 PWs) bands (ev): -32.7196 -32.7196 -32.6981 -32.6981 -32.6779 -32.6779 -14.4006 -14.4006 -14.0715 -14.0715 -14.0199 -14.0199 -13.8048 -13.8048 -13.7084 -13.7084 -13.6653 -13.6653 -13.6368 -13.6368 -13.5281 -13.5281 -13.4996 -13.4996 -9.7876 -9.7876 1.1386 1.1386 3.2277 3.2277 3.4280 3.4280 4.1175 4.1175 6.0844 6.0844 6.7241 6.7241 7.6108 7.6108 10.3431 10.3431 10.4365 10.4365 10.7543 10.7543 10.8118 10.8118 k = 0.3235 0.5000-0.0000 ( 3886 PWs) bands (ev): -32.7181 -32.7181 -32.6981 -32.6981 -32.6793 -32.6793 -14.4115 -14.4115 -14.0705 -14.0705 -14.0221 -14.0221 -13.8026 -13.8026 -13.7093 -13.7093 -13.6632 -13.6632 -13.6386 -13.6386 -13.5249 -13.5249 -13.4992 -13.4992 -9.7716 -9.7716 1.1521 1.1521 3.2136 3.2136 3.3855 3.3855 4.1118 4.1118 6.1231 6.1231 6.6782 6.6782 7.6046 7.6046 10.3835 10.3835 10.4892 10.4892 10.7098 10.7098 10.7947 10.7947 k = 0.3382 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7166 -32.7166 -32.6981 -32.6981 -32.6808 -32.6808 -14.4218 -14.4218 -14.0698 -14.0698 -14.0239 -14.0239 -13.8003 -13.8003 -13.7100 -13.7100 -13.6618 -13.6618 -13.6403 -13.6403 -13.5219 -13.5219 -13.4988 -13.4988 -9.7563 -9.7563 1.1652 1.1652 3.1999 3.1999 3.3454 3.3454 4.1064 4.1064 6.1606 6.1606 6.6354 6.6354 7.5987 7.5987 10.4233 10.4233 10.5419 10.5419 10.6649 10.6649 10.7790 10.7790 k = 0.3529 0.5000-0.0000 ( 3892 PWs) bands (ev): -32.7151 -32.7151 -32.6981 -32.6981 -32.6823 -32.6823 -14.4314 -14.4314 -14.0693 -14.0693 -14.0255 -14.0255 -13.7981 -13.7981 -13.7106 -13.7106 -13.6609 -13.6609 -13.6417 -13.6417 -13.5192 -13.5192 -13.4983 -13.4983 -9.7418 -9.7418 1.1777 1.1777 3.1868 3.1868 3.3080 3.3080 4.1012 4.1012 6.1966 6.1966 6.5957 6.5957 7.5931 7.5931 10.4624 10.4624 10.5944 10.5944 10.6205 10.6205 10.7649 10.7649 k = 0.3676 0.5000-0.0000 ( 3882 PWs) bands (ev): -32.7135 -32.7135 -32.6981 -32.6981 -32.6838 -32.6838 -14.4401 -14.4401 -14.0689 -14.0689 -14.0268 -14.0268 -13.7960 -13.7960 -13.7110 -13.7110 -13.6608 -13.6608 -13.6427 -13.6427 -13.5166 -13.5166 -13.4978 -13.4978 -9.7283 -9.7283 1.1896 1.1896 3.1744 3.1744 3.2734 3.2734 4.0965 4.0965 6.2306 6.2306 6.5595 6.5595 7.5879 7.5879 10.5002 10.5002 10.5774 10.5774 10.6460 10.6460 10.7522 10.7522 k = 0.3824 0.5000-0.0000 ( 3878 PWs) bands (ev): -32.7119 -32.7119 -32.6980 -32.6980 -32.6853 -32.6853 -14.4481 -14.4481 -14.0687 -14.0687 -14.0278 -14.0278 -13.7939 -13.7939 -13.7113 -13.7113 -13.6613 -13.6613 -13.6432 -13.6432 -13.5143 -13.5143 -13.4972 -13.4972 -9.7159 -9.7159 1.2006 1.2006 3.1629 3.1629 3.2418 3.2418 4.0921 4.0921 6.2622 6.2622 6.5269 6.5269 7.5831 7.5831 10.5312 10.5312 10.5413 10.5413 10.6963 10.6963 10.7410 10.7410 k = 0.3971 0.5000-0.0000 ( 3890 PWs) bands (ev): -32.7103 -32.7103 -32.6980 -32.6980 -32.6869 -32.6869 -14.4552 -14.4552 -14.0687 -14.0687 -14.0286 -14.0286 -13.7921 -13.7921 -13.7114 -13.7114 -13.6624 -13.6624 -13.6433 -13.6433 -13.5123 -13.5123 -13.4966 -13.4966 -9.7047 -9.7047 1.2107 1.2107 3.1522 3.1522 3.2137 3.2137 4.0882 4.0882 6.2911 6.2911 6.4981 6.4981 7.5788 7.5788 10.4968 10.4968 10.5710 10.5710 10.7306 10.7306 10.7449 10.7449 k = 0.4118 0.5000-0.0000 ( 3902 PWs) bands (ev): -32.7087 -32.7087 -32.6980 -32.6980 -32.6885 -32.6885 -14.4615 -14.4615 -14.0688 -14.0688 -14.0293 -14.0293 -13.7904 -13.7904 -13.7114 -13.7114 -13.6639 -13.6639 -13.6433 -13.6433 -13.5106 -13.5106 -13.4961 -13.4961 -9.6948 -9.6948 1.2198 1.2198 3.1425 3.1425 3.1890 3.1890 4.0847 4.0847 6.3167 6.3167 6.4732 6.4732 7.5750 7.5750 10.4619 10.4619 10.6021 10.6021 10.7224 10.7224 10.7898 10.7898 k = 0.4265 0.5000-0.0000 ( 3896 PWs) bands (ev): -32.7070 -32.7070 -32.6980 -32.6980 -32.6901 -32.6901 -14.4668 -14.4668 -14.0689 -14.0689 -14.0297 -14.0297 -13.7889 -13.7889 -13.7113 -13.7113 -13.6655 -13.6655 -13.6430 -13.6430 -13.5091 -13.5091 -13.4956 -13.4956 -9.6863 -9.6863 1.2276 1.2276 3.1339 3.1339 3.1681 3.1681 4.0818 4.0818 6.3385 6.3385 6.4526 6.4526 7.5717 7.5717 10.4310 10.4310 10.6300 10.6300 10.7153 10.7153 10.8311 10.8311 k = 0.4412 0.5000-0.0000 ( 3892 PWs) bands (ev): -32.7054 -32.7054 -32.6980 -32.6980 -32.6918 -32.6918 -14.4712 -14.4712 -14.0691 -14.0691 -14.0300 -14.0300 -13.7876 -13.7876 -13.7111 -13.7111 -13.6670 -13.6670 -13.6428 -13.6428 -13.5078 -13.5078 -13.4952 -13.4952 -9.6792 -9.6792 1.2342 1.2342 3.1262 3.1262 3.1513 3.1513 4.0793 4.0793 6.3558 6.3558 6.4367 6.4367 7.5690 7.5690 10.4047 10.4047 10.6539 10.6539 10.7096 10.7096 10.8674 10.8674 k = 0.4559 0.5000-0.0000 ( 3896 PWs) bands (ev): -32.7037 -32.7037 -32.6980 -32.6980 -32.6934 -32.6934 -14.4747 -14.4747 -14.0693 -14.0693 -14.0302 -14.0302 -13.7866 -13.7866 -13.7109 -13.7109 -13.6683 -13.6683 -13.6425 -13.6425 -13.5069 -13.5069 -13.4948 -13.4948 -9.6736 -9.6736 1.2394 1.2394 3.1195 3.1195 3.1387 3.1387 4.0774 4.0774 6.3677 6.3677 6.4261 6.4261 7.5669 7.5669 10.3838 10.3838 10.6732 10.6732 10.7051 10.7051 10.8972 10.8973 k = 0.4706 0.5000-0.0000 ( 3896 PWs) bands (ev): -32.7020 -32.7020 -32.6980 -32.6980 -32.6951 -32.6951 -14.4771 -14.4771 -14.0694 -14.0694 -14.0303 -14.0303 -13.7859 -13.7859 -13.7107 -13.7107 -13.6694 -13.6694 -13.6423 -13.6423 -13.5062 -13.5062 -13.4946 -13.4946 -9.6695 -9.6695 1.2432 1.2432 3.1139 3.1139 3.1305 3.1305 4.0760 4.0760 6.3738 6.3738 6.4211 6.4211 7.5653 7.5653 10.3685 10.3685 10.6873 10.6873 10.7021 10.7021 10.9194 10.9194 k = 0.4853 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.7003 -32.7003 -32.6980 -32.6980 -32.6968 -32.6968 -14.4786 -14.4786 -14.0695 -14.0695 -14.0304 -14.0304 -13.7855 -13.7855 -13.7105 -13.7105 -13.6701 -13.6701 -13.6422 -13.6422 -13.5058 -13.5058 -13.4944 -13.4944 -9.6671 -9.6671 1.2455 1.2455 3.1101 3.1101 3.1259 3.1259 4.0751 4.0751 6.3757 6.3757 6.4199 6.4199 7.5644 7.5644 10.3592 10.3592 10.6955 10.6955 10.7007 10.7007 10.9318 10.9319 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.6991 -32.6991 -32.6980 -32.6980 -32.6980 -32.6980 -14.4791 -14.4791 -14.0695 -14.0695 -14.0304 -14.0304 -13.7853 -13.7853 -13.7105 -13.7105 -13.6703 -13.6703 -13.6422 -13.6422 -13.5056 -13.5056 -13.4944 -13.4944 -9.6663 -9.6663 1.2463 1.2463 3.1087 3.1087 3.1245 3.1245 4.0749 4.0749 6.3759 6.3759 6.4199 6.4199 7.5641 7.5641 10.3561 10.3561 10.6973 10.6973 10.7012 10.7012 10.9344 10.9344 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.6991 -32.6991 -32.6980 -32.6980 -32.6980 -32.6980 -14.4791 -14.4791 -14.0695 -14.0695 -14.0304 -14.0304 -13.7853 -13.7853 -13.7105 -13.7105 -13.6703 -13.6703 -13.6422 -13.6422 -13.5056 -13.5056 -13.4944 -13.4944 -9.6663 -9.6663 1.2463 1.2463 3.1087 3.1087 3.1245 3.1245 4.0749 4.0749 6.3759 6.3759 6.4199 6.4199 7.5641 7.5641 10.3561 10.3561 10.6973 10.6973 10.7012 10.7012 10.9344 10.9344 k = 0.4894 0.4894-0.0000 ( 3900 PWs) bands (ev): -32.7004 -32.7004 -32.6980 -32.6980 -32.6967 -32.6967 -14.4786 -14.4786 -14.0695 -14.0695 -14.0304 -14.0304 -13.7855 -13.7855 -13.7105 -13.7105 -13.6701 -13.6701 -13.6422 -13.6422 -13.5058 -13.5058 -13.4945 -13.4945 -9.6672 -9.6672 1.2455 1.2455 3.1102 3.1102 3.1260 3.1260 4.0752 4.0752 6.3757 6.3757 6.4198 6.4198 7.5644 7.5644 10.3593 10.3593 10.6958 10.6958 10.7003 10.7003 10.9319 10.9319 k = 0.4787 0.4787-0.0000 ( 3904 PWs) bands (ev): -32.7021 -32.7021 -32.6978 -32.6978 -32.6951 -32.6951 -14.4770 -14.4770 -14.0694 -14.0694 -14.0303 -14.0303 -13.7859 -13.7859 -13.7107 -13.7107 -13.6694 -13.6694 -13.6424 -13.6424 -13.5063 -13.5063 -13.4946 -13.4946 -9.6697 -9.6697 1.2431 1.2431 3.1145 3.1145 3.1304 3.1304 4.0760 4.0760 6.3749 6.3749 6.4199 6.4199 7.5654 7.5654 10.3688 10.3688 10.6891 10.6891 10.6997 10.6997 10.9205 10.9205 k = 0.4681 0.4681-0.0000 ( 3888 PWs) bands (ev): -32.7040 -32.7040 -32.6976 -32.6976 -32.6935 -32.6935 -14.4744 -14.4744 -14.0692 -14.0692 -14.0301 -14.0301 -13.7867 -13.7867 -13.7109 -13.7109 -13.6682 -13.6682 -13.6425 -13.6425 -13.5070 -13.5070 -13.4947 -13.4947 -9.6739 -9.6739 1.2391 1.2391 3.1217 3.1217 3.1378 3.1378 4.0775 4.0775 6.3727 6.3727 6.4211 6.4211 7.5670 7.5670 10.3835 10.3835 10.6773 10.6773 10.6996 10.6996 10.9008 10.9008 k = 0.4574 0.4574-0.0000 ( 3888 PWs) bands (ev): -32.7058 -32.7058 -32.6974 -32.6974 -32.6919 -32.6919 -14.4708 -14.4708 -14.0691 -14.0691 -14.0299 -14.0299 -13.7878 -13.7878 -13.7112 -13.7112 -13.6668 -13.6668 -13.6427 -13.6427 -13.5083 -13.5083 -13.4948 -13.4948 -9.6798 -9.6798 1.2335 1.2335 3.1314 3.1314 3.1483 3.1483 4.0795 4.0795 6.3682 6.3682 6.4246 6.4246 7.5693 7.5693 10.4018 10.4018 10.6608 10.6608 10.6997 10.6997 10.8761 10.8761 k = 0.4468 0.4468-0.0000 ( 3876 PWs) bands (ev): -32.7077 -32.7077 -32.6970 -32.6970 -32.6904 -32.6904 -14.4662 -14.4662 -14.0689 -14.0689 -14.0295 -14.0295 -13.7891 -13.7891 -13.7114 -13.7114 -13.6651 -13.6651 -13.6429 -13.6429 -13.5100 -13.5100 -13.4948 -13.4948 -9.6874 -9.6874 1.2264 1.2264 3.1436 3.1436 3.1619 3.1619 4.0821 4.0821 6.3612 6.3612 6.4309 6.4309 7.5724 7.5724 10.4208 10.4208 10.6400 10.6400 10.6998 10.6998 10.8499 10.8500 k = 0.4362 0.4362-0.0000 ( 3872 PWs) bands (ev): -32.7097 -32.7097 -32.6966 -32.6966 -32.6889 -32.6889 -14.4607 -14.4607 -14.0688 -14.0688 -14.0289 -14.0289 -13.7908 -13.7908 -13.7115 -13.7115 -13.6633 -13.6633 -13.6429 -13.6429 -13.5122 -13.5122 -13.4946 -13.4946 -9.6966 -9.6966 1.2178 1.2178 3.1582 3.1582 3.1787 3.1787 4.0853 4.0853 6.3522 6.3522 6.4400 6.4400 7.5761 7.5761 10.4360 10.4360 10.6152 10.6152 10.6998 10.6998 10.8272 10.8272 k = 0.4255 0.4255-0.0000 ( 3870 PWs) bands (ev): -32.7117 -32.7117 -32.6961 -32.6961 -32.6875 -32.6875 -14.4542 -14.4542 -14.0689 -14.0689 -14.0281 -14.0281 -13.7928 -13.7928 -13.7116 -13.7116 -13.6617 -13.6617 -13.6427 -13.6427 -13.5149 -13.5149 -13.4942 -13.4942 -9.7074 -9.7074 1.2077 1.2077 3.1749 3.1749 3.1985 3.1985 4.0890 4.0890 6.3418 6.3418 6.4517 6.4517 7.5806 7.5806 10.4415 10.4415 10.5867 10.5867 10.6998 10.6998 10.8135 10.8135 k = 0.4149 0.4149-0.0000 ( 3870 PWs) bands (ev): -32.7137 -32.7137 -32.6955 -32.6955 -32.6861 -32.6861 -14.4468 -14.4468 -14.0691 -14.0691 -14.0270 -14.0270 -13.7950 -13.7950 -13.7116 -13.7116 -13.6605 -13.6605 -13.6421 -13.6421 -13.5181 -13.5181 -13.4936 -13.4936 -9.7197 -9.7197 1.1961 1.1961 3.1938 3.1938 3.2212 3.2212 4.0932 4.0932 6.3309 6.3309 6.4658 6.4658 7.5858 7.5858 10.4322 10.4322 10.5549 10.5549 10.6996 10.6996 10.8134 10.8134 k = 0.4043 0.4043-0.0000 ( 3870 PWs) bands (ev): -32.7157 -32.7157 -32.6949 -32.6949 -32.6847 -32.6847 -14.4386 -14.4386 -14.0695 -14.0695 -14.0256 -14.0256 -13.7975 -13.7975 -13.7115 -13.7115 -13.6597 -13.6597 -13.6408 -13.6408 -13.5216 -13.5216 -13.4929 -13.4929 -9.7336 -9.7336 1.1832 1.1832 3.2148 3.2148 3.2467 3.2467 4.0980 4.0980 6.3200 6.3200 6.4822 6.4822 7.5918 7.5918 10.4066 10.4066 10.5201 10.5201 10.6994 10.6994 10.8269 10.8269 k = 0.3936 0.3936-0.0000 ( 3878 PWs) bands (ev): -32.7178 -32.7178 -32.6942 -32.6942 -32.6835 -32.6835 -14.4296 -14.4296 -14.0702 -14.0702 -14.0237 -14.0237 -13.8002 -13.8002 -13.7113 -13.7113 -13.6597 -13.6597 -13.6390 -13.6390 -13.5254 -13.5254 -13.4921 -13.4921 -9.7489 -9.7489 1.1689 1.1689 3.2378 3.2378 3.2746 3.2746 4.1032 4.1032 6.3099 6.3099 6.5008 6.5008 7.5987 7.5987 10.3671 10.3671 10.4828 10.4828 10.6989 10.6989 10.8495 10.8495 k = 0.3830 0.3830-0.0000 ( 3876 PWs) bands (ev): -32.7198 -32.7198 -32.6935 -32.6935 -32.6822 -32.6822 -14.4198 -14.4198 -14.0712 -14.0712 -14.0215 -14.0215 -13.8032 -13.8032 -13.7108 -13.7108 -13.6602 -13.6602 -13.6364 -13.6364 -13.5295 -13.5295 -13.4912 -13.4912 -9.7656 -9.7656 1.1534 1.1534 3.2629 3.2629 3.3049 3.3049 4.1089 4.1089 6.3012 6.3012 6.5215 6.5215 7.6065 7.6065 10.3178 10.3178 10.4433 10.4433 10.6980 10.6980 10.8746 10.8746 k = 0.3723 0.3723-0.0000 ( 3886 PWs) bands (ev): -32.7220 -32.7220 -32.6926 -32.6926 -32.6810 -32.6810 -14.4094 -14.4094 -14.0724 -14.0724 -14.0188 -14.0188 -13.8063 -13.8063 -13.7104 -13.7104 -13.6611 -13.6611 -13.6335 -13.6335 -13.5337 -13.5337 -13.4901 -13.4901 -9.7837 -9.7837 1.1366 1.1366 3.2899 3.2899 3.3372 3.3372 4.1150 4.1150 6.2944 6.2944 6.5442 6.5442 7.6153 7.6153 10.2621 10.2621 10.4018 10.4018 10.6964 10.6964 10.8958 10.8958 k = 0.3617 0.3617-0.0000 ( 3886 PWs) bands (ev): -32.7241 -32.7241 -32.6918 -32.6918 -32.6799 -32.6799 -14.3984 -14.3984 -14.0740 -14.0740 -14.0156 -14.0156 -13.8097 -13.8097 -13.7097 -13.7097 -13.6625 -13.6625 -13.6302 -13.6302 -13.5380 -13.5380 -13.4889 -13.4889 -9.8031 -9.8031 1.1186 1.1186 3.3187 3.3187 3.3714 3.3714 4.1215 4.1215 6.2901 6.2901 6.5691 6.5691 7.6250 7.6250 10.2022 10.2022 10.3590 10.3590 10.6941 10.6941 10.9081 10.9081 k = 0.3511 0.3511-0.0000 ( 3894 PWs) bands (ev): -32.7262 -32.7262 -32.6909 -32.6909 -32.6788 -32.6788 -14.3868 -14.3868 -14.0758 -14.0758 -14.0119 -14.0119 -13.8133 -13.8133 -13.7090 -13.7090 -13.6641 -13.6641 -13.6266 -13.6266 -13.5424 -13.5424 -13.4877 -13.4877 -9.8237 -9.8237 1.0996 1.0996 3.3493 3.3493 3.4073 3.4073 4.1284 4.1284 6.2888 6.2888 6.5959 6.5959 7.6357 7.6357 10.1395 10.1395 10.3148 10.3148 10.6906 10.6906 10.9080 10.9080 k = 0.3404 0.3404-0.0000 ( 3882 PWs) bands (ev): -32.7283 -32.7283 -32.6899 -32.6899 -32.6777 -32.6777 -14.3749 -14.3749 -14.0779 -14.0779 -14.0078 -14.0078 -13.8171 -13.8171 -13.7081 -13.7081 -13.6658 -13.6658 -13.6228 -13.6228 -13.5467 -13.5467 -13.4863 -13.4863 -9.8455 -9.8455 1.0795 1.0795 3.3815 3.3815 3.4446 3.4446 4.1357 4.1357 6.2910 6.2910 6.6248 6.6248 7.6476 7.6476 10.0752 10.0752 10.2699 10.2699 10.6860 10.6860 10.8941 10.8941 k = 0.3298 0.3298-0.0000 ( 3890 PWs) bands (ev): -32.7304 -32.7304 -32.6889 -32.6889 -32.6767 -32.6767 -14.3625 -14.3625 -14.0802 -14.0802 -14.0033 -14.0033 -13.8211 -13.8211 -13.7072 -13.7072 -13.6678 -13.6678 -13.6189 -13.6189 -13.5510 -13.5510 -13.4849 -13.4849 -9.8683 -9.8683 1.0584 1.0584 3.4152 3.4152 3.4831 3.4831 4.1433 4.1433 6.2970 6.2970 6.6558 6.6558 7.6606 7.6606 10.0099 10.0099 10.2241 10.2241 10.6795 10.6795 10.8667 10.8667 k = 0.3191 0.3191-0.0000 ( 3886 PWs) bands (ev): -32.7326 -32.7326 -32.6878 -32.6878 -32.6757 -32.6757 -14.3499 -14.3499 -14.0828 -14.0828 -13.9982 -13.9982 -13.8252 -13.8252 -13.7062 -13.7062 -13.6698 -13.6698 -13.6148 -13.6148 -13.5551 -13.5551 -13.4835 -13.4835 -9.8921 -9.8921 1.0365 1.0365 3.4503 3.4503 3.5226 3.5226 4.1512 4.1512 6.3073 6.3073 6.6887 6.6887 7.6748 7.6748 9.9442 9.9442 10.1780 10.1780 10.6711 10.6711 10.8277 10.8277 k = 0.3085 0.3085-0.0000 ( 3874 PWs) bands (ev): -32.7347 -32.7347 -32.6867 -32.6867 -32.6748 -32.6748 -14.3371 -14.3371 -14.0855 -14.0855 -13.9927 -13.9927 -13.8295 -13.8295 -13.7051 -13.7051 -13.6718 -13.6718 -13.6106 -13.6106 -13.5589 -13.5589 -13.4820 -13.4820 -9.9168 -9.9168 1.0138 1.0138 3.4866 3.4866 3.5628 3.5628 4.1593 4.1593 6.3223 6.3223 6.7237 6.7237 7.6903 7.6903 9.8785 9.8785 10.1317 10.1317 10.6604 10.6604 10.7793 10.7793 k = 0.2979 0.2979-0.0000 ( 3874 PWs) bands (ev): -32.7368 -32.7368 -32.6856 -32.6856 -32.6739 -32.6739 -14.3244 -14.3244 -14.0883 -14.0883 -13.9869 -13.9869 -13.8339 -13.8339 -13.7041 -13.7041 -13.6738 -13.6738 -13.6064 -13.6064 -13.5625 -13.5625 -13.4804 -13.4804 -9.9423 -9.9423 0.9903 0.9903 3.5240 3.5240 3.6035 3.6035 4.1676 4.1676 6.3421 6.3421 6.7607 6.7607 7.7070 7.7070 9.8131 9.8131 10.0854 10.0854 10.6469 10.6469 10.7235 10.7235 k = 0.2872 0.2872-0.0000 ( 3874 PWs) bands (ev): -32.7389 -32.7389 -32.6845 -32.6845 -32.6730 -32.6730 -14.3117 -14.3117 -14.0914 -14.0914 -13.9806 -13.9806 -13.8384 -13.8384 -13.7030 -13.7030 -13.6759 -13.6759 -13.6022 -13.6022 -13.5658 -13.5658 -13.4788 -13.4788 -9.9685 -9.9685 0.9663 0.9663 3.5624 3.5624 3.6445 3.6445 4.1761 4.1761 6.3670 6.3670 6.7996 6.7996 7.7252 7.7252 9.7482 9.7482 10.0393 10.0393 10.6302 10.6302 10.6625 10.6625 k = 0.2766 0.2766-0.0000 ( 3866 PWs) bands (ev): -32.7410 -32.7410 -32.6833 -32.6833 -32.6722 -32.6722 -14.2992 -14.2992 -14.0946 -14.0946 -13.9740 -13.9740 -13.8430 -13.8430 -13.7019 -13.7019 -13.6778 -13.6778 -13.5980 -13.5980 -13.5685 -13.5685 -13.4772 -13.4772 -9.9954 -9.9954 0.9418 0.9418 3.6016 3.6016 3.6856 3.6856 4.1848 4.1848 6.3973 6.3973 6.8407 6.8407 7.7447 7.7447 9.6840 9.6840 9.9936 9.9936 10.5973 10.5973 10.6105 10.6105 k = 0.2660 0.2660-0.0000 ( 3886 PWs) bands (ev): -32.7430 -32.7430 -32.6822 -32.6822 -32.6714 -32.6714 -14.2870 -14.2870 -14.0980 -14.0980 -13.9671 -13.9671 -13.8476 -13.8476 -13.7010 -13.7010 -13.6798 -13.6798 -13.5941 -13.5941 -13.5707 -13.5707 -13.4756 -13.4756 -10.0228 -10.0228 0.9168 0.9168 3.6414 3.6414 3.7266 3.7266 4.1935 4.1935 6.4331 6.4331 6.8837 6.8837 7.7657 7.7657 9.6208 9.6208 9.9484 9.9484 10.5302 10.5302 10.5863 10.5863 k = 0.2553 0.2553-0.0000 ( 3878 PWs) bands (ev): -32.7450 -32.7450 -32.6810 -32.6810 -32.6707 -32.6707 -14.2752 -14.2752 -14.1014 -14.1014 -13.9599 -13.9599 -13.8521 -13.8521 -13.7000 -13.7000 -13.6816 -13.6816 -13.5907 -13.5907 -13.5716 -13.5716 -13.4739 -13.4739 -10.0505 -10.0505 0.8916 0.8916 3.6816 3.6816 3.7673 3.7673 4.2023 4.2023 6.4745 6.4745 6.9287 6.9287 7.7882 7.7882 9.5587 9.5587 9.9040 9.9040 10.4614 10.4614 10.5582 10.5582 k = 0.2447 0.2447-0.0000 ( 3882 PWs) bands (ev): -32.7470 -32.7470 -32.6798 -32.6798 -32.6700 -32.6700 -14.2639 -14.2639 -14.1049 -14.1049 -13.9525 -13.9525 -13.8564 -13.8564 -13.6991 -13.6991 -13.6832 -13.6832 -13.5885 -13.5885 -13.5710 -13.5710 -13.4723 -13.4723 -10.0786 -10.0786 0.8661 0.8661 3.7222 3.7222 3.8075 3.8075 4.2111 4.2111 6.5216 6.5216 6.9757 6.9757 7.8123 7.8123 9.4979 9.4979 9.8605 9.8605 10.3920 10.3920 10.5258 10.5258 k = 0.2340 0.2340-0.0000 ( 3882 PWs) bands (ev): -32.7490 -32.7490 -32.6787 -32.6787 -32.6693 -32.6693 -14.2531 -14.2531 -14.1085 -14.1085 -13.9452 -13.9452 -13.8603 -13.8603 -13.6983 -13.6983 -13.6846 -13.6846 -13.5877 -13.5877 -13.5685 -13.5685 -13.4707 -13.4707 -10.1068 -10.1068 0.8407 0.8407 3.7629 3.7629 3.8470 3.8470 4.2199 4.2199 6.5743 6.5743 7.0248 7.0248 7.8379 7.8379 9.4385 9.4385 9.8180 9.8180 10.3227 10.3227 10.4889 10.4889 k = 0.2234 0.2234-0.0000 ( 3884 PWs) bands (ev): -32.7509 -32.7509 -32.6775 -32.6775 -32.6687 -32.6687 -14.2430 -14.2430 -14.1122 -14.1122 -13.9382 -13.9382 -13.8636 -13.8636 -13.6976 -13.6976 -13.6859 -13.6859 -13.5878 -13.5878 -13.5645 -13.5645 -13.4690 -13.4690 -10.1351 -10.1351 0.8152 0.8152 3.8035 3.8035 3.8857 3.8857 4.2287 4.2287 6.6328 6.6328 7.0759 7.0759 7.8652 7.8652 9.3806 9.3806 9.7765 9.7765 10.2539 10.2539 10.4474 10.4474 k = 0.2128 0.2128-0.0000 ( 3876 PWs) bands (ev): -32.7527 -32.7527 -32.6763 -32.6763 -32.6681 -32.6681 -14.2335 -14.2335 -14.1159 -14.1159 -13.9318 -13.9318 -13.8659 -13.8659 -13.6969 -13.6969 -13.6869 -13.6869 -13.5884 -13.5884 -13.5595 -13.5595 -13.4674 -13.4674 -10.1634 -10.1634 0.7900 0.7900 3.8439 3.8439 3.9235 3.9235 4.2373 4.2373 6.6969 6.6969 7.1290 7.1290 7.8941 7.8941 9.3244 9.3244 9.7364 9.7364 10.1863 10.1863 10.4014 10.4014 k = 0.2021 0.2021-0.0000 ( 3878 PWs) bands (ev): -32.7545 -32.7545 -32.6752 -32.6752 -32.6676 -32.6676 -14.2248 -14.2248 -14.1197 -14.1197 -13.9265 -13.9265 -13.8669 -13.8669 -13.6964 -13.6964 -13.6878 -13.6878 -13.5891 -13.5891 -13.5538 -13.5538 -13.4658 -13.4658 -10.1914 -10.1914 0.7650 0.7650 3.8839 3.8839 3.9602 3.9602 4.2458 4.2458 6.7665 6.7665 7.1841 7.1841 7.9247 7.9247 9.2699 9.2699 9.6976 9.6976 10.1201 10.1201 10.3504 10.3505 k = 0.1915 0.1915-0.0000 ( 3882 PWs) bands (ev): -32.7562 -32.7562 -32.6741 -32.6741 -32.6671 -32.6671 -14.2169 -14.2169 -14.1234 -14.1234 -13.9227 -13.9227 -13.8662 -13.8662 -13.6961 -13.6961 -13.6885 -13.6885 -13.5897 -13.5897 -13.5478 -13.5478 -13.4643 -13.4643 -10.2192 -10.2192 0.7405 0.7405 3.9232 3.9232 3.9957 3.9957 4.2541 4.2541 6.8415 6.8415 7.2412 7.2412 7.9569 7.9569 9.2173 9.2173 9.6602 9.6602 10.0556 10.0556 10.2926 10.2926 k = 0.1809 0.1809-0.0000 ( 3878 PWs) bands (ev): -32.7579 -32.7579 -32.6730 -32.6730 -32.6666 -32.6666 -14.2097 -14.2097 -14.1272 -14.1272 -13.9208 -13.9208 -13.8635 -13.8635 -13.6958 -13.6958 -13.6890 -13.6890 -13.5901 -13.5901 -13.5414 -13.5414 -13.4628 -13.4628 -10.2464 -10.2464 0.7166 0.7166 3.9618 3.9618 4.0299 4.0299 4.2622 4.2622 6.9216 6.9216 7.3004 7.3004 7.9908 7.9908 9.1668 9.1668 9.6243 9.6243 9.9933 9.9933 10.2202 10.2203 k = 0.1702 0.1702-0.0000 ( 3876 PWs) bands (ev): -32.7595 -32.7595 -32.6719 -32.6719 -32.6661 -32.6661 -14.2033 -14.2033 -14.1309 -14.1309 -13.9205 -13.9205 -13.8590 -13.8590 -13.6956 -13.6956 -13.6894 -13.6894 -13.5904 -13.5904 -13.5347 -13.5347 -13.4614 -13.4614 -10.2732 -10.2732 0.6932 0.6932 3.9994 3.9994 4.0627 4.0627 4.2700 4.2700 7.0068 7.0068 7.3616 7.3616 8.0264 8.0264 9.1183 9.1183 9.5901 9.5901 9.9331 9.9331 10.1344 10.1344 k = 0.1596 0.1596-0.0000 ( 3880 PWs) bands (ev): -32.7610 -32.7610 -32.6709 -32.6709 -32.6657 -32.6657 -14.1976 -14.1976 -14.1346 -14.1346 -13.9214 -13.9214 -13.8533 -13.8533 -13.6954 -13.6954 -13.6897 -13.6897 -13.5906 -13.5906 -13.5276 -13.5276 -13.4599 -13.4599 -10.2992 -10.2992 0.6707 0.6707 4.0358 4.0358 4.0941 4.0941 4.2776 4.2776 7.0967 7.0967 7.4248 7.4248 8.0636 8.0636 9.0720 9.0720 9.5575 9.5575 9.8755 9.8755 10.0436 10.0436 k = 0.1489 0.1489-0.0000 ( 3876 PWs) bands (ev): -32.7625 -32.7625 -32.6699 -32.6699 -32.6653 -32.6653 -14.1925 -14.1925 -14.1382 -14.1382 -13.9231 -13.9231 -13.8469 -13.8469 -13.6952 -13.6952 -13.6898 -13.6898 -13.5906 -13.5906 -13.5205 -13.5205 -13.4586 -13.4586 -10.3243 -10.3243 0.6491 0.6491 4.0709 4.0709 4.1239 4.1239 4.2848 4.2848 7.1910 7.1910 7.4901 7.4901 8.1024 8.1024 9.0280 9.0280 9.5268 9.5268 9.8204 9.8204 9.9501 9.9501 k = 0.1383 0.1383-0.0000 ( 3878 PWs) bands (ev): -32.7638 -32.7638 -32.6690 -32.6690 -32.6649 -32.6649 -14.1881 -14.1881 -14.1417 -14.1417 -13.9252 -13.9252 -13.8402 -13.8402 -13.6950 -13.6950 -13.6900 -13.6900 -13.5905 -13.5905 -13.5132 -13.5132 -13.4573 -13.4573 -10.3485 -10.3485 0.6284 0.6284 4.1045 4.1045 4.1521 4.1521 4.2917 4.2917 7.2893 7.2893 7.5575 7.5575 8.1427 8.1427 8.9864 8.9864 9.4978 9.4978 9.7679 9.7679 9.8548 9.8548 k = 0.1277 0.1277-0.0000 ( 3874 PWs) bands (ev): -32.7651 -32.7651 -32.6681 -32.6681 -32.6646 -32.6646 -14.1843 -14.1843 -14.1451 -14.1451 -13.9275 -13.9275 -13.8335 -13.8335 -13.6948 -13.6948 -13.6902 -13.6902 -13.5903 -13.5903 -13.5058 -13.5058 -13.4561 -13.4561 -10.3715 -10.3715 0.6089 0.6089 4.1363 4.1363 4.1785 4.1785 4.2982 4.2982 7.3913 7.3913 7.6270 7.6270 8.1844 8.1844 8.9472 8.9472 9.4708 9.4708 9.7180 9.7180 9.7584 9.7584 k = 0.1170 0.1170-0.0000 ( 3874 PWs) bands (ev): -32.7663 -32.7663 -32.6673 -32.6673 -32.6643 -32.6643 -14.1811 -14.1811 -14.1484 -14.1484 -13.9297 -13.9297 -13.8271 -13.8271 -13.6945 -13.6945 -13.6903 -13.6903 -13.5900 -13.5900 -13.4984 -13.4984 -13.4550 -13.4550 -10.3933 -10.3933 0.5905 0.5905 4.1662 4.1662 4.2032 4.2032 4.3044 4.3044 7.4964 7.4964 7.6986 7.6986 8.2274 8.2274 8.9105 8.9105 9.4458 9.4458 9.6590 9.6590 9.6728 9.6728 k = 0.1064 0.1064-0.0000 ( 3861 PWs) bands (ev): -32.7674 -32.7674 -32.6665 -32.6665 -32.6640 -32.6640 -14.1782 -14.1782 -14.1514 -14.1514 -13.9319 -13.9319 -13.8210 -13.8210 -13.6941 -13.6941 -13.6904 -13.6904 -13.5896 -13.5896 -13.4912 -13.4912 -13.4539 -13.4539 -10.4138 -10.4138 0.5735 0.5735 4.1941 4.1941 4.2260 4.2260 4.3101 4.3101 7.6040 7.6040 7.7726 7.7726 8.2714 8.2714 8.8765 8.8765 9.4227 9.4227 9.5620 9.5620 9.6274 9.6274 k = 0.0957 0.0957-0.0000 ( 3869 PWs) bands (ev): -32.7684 -32.7684 -32.6658 -32.6658 -32.6638 -32.6638 -14.1759 -14.1759 -14.1544 -14.1544 -13.9339 -13.9339 -13.8155 -13.8155 -13.6938 -13.6938 -13.6906 -13.6906 -13.5892 -13.5892 -13.4842 -13.4842 -13.4530 -13.4530 -10.4327 -10.4327 0.5577 0.5577 4.2198 4.2198 4.2470 4.2470 4.3153 4.3153 7.7130 7.7130 7.8491 7.8491 8.3163 8.3163 8.8450 8.8450 9.4017 9.4017 9.4638 9.4638 9.5854 9.5854 k = 0.0851 0.0851-0.0000 ( 3869 PWs) bands (ev): -32.7693 -32.7693 -32.6652 -32.6652 -32.6636 -32.6636 -14.1740 -14.1740 -14.1571 -14.1571 -13.9357 -13.9357 -13.8105 -13.8105 -13.6935 -13.6935 -13.6907 -13.6907 -13.5888 -13.5888 -13.4776 -13.4776 -13.4521 -13.4521 -10.4500 -10.4500 0.5435 0.5435 4.2431 4.2431 4.2660 4.2660 4.3202 4.3202 7.8224 7.8224 7.9286 7.9286 8.3616 8.3616 8.8161 8.8161 9.3655 9.3655 9.3829 9.3829 9.5456 9.5456 k = 0.0745 0.0745-0.0000 ( 3869 PWs) bands (ev): -32.7702 -32.7702 -32.6646 -32.6646 -32.6634 -32.6634 -14.1724 -14.1724 -14.1595 -14.1595 -13.9373 -13.9373 -13.8060 -13.8060 -13.6931 -13.6931 -13.6909 -13.6909 -13.5884 -13.5884 -13.4714 -13.4714 -13.4513 -13.4513 -10.4655 -10.4655 0.5307 0.5307 4.2637 4.2637 4.2830 4.2830 4.3245 4.3245 7.9298 7.9298 8.0123 8.0123 8.4068 8.4068 8.7897 8.7897 9.2677 9.2677 9.3661 9.3661 9.5078 9.5078 k = 0.0638 0.0638-0.0000 ( 3873 PWs) bands (ev): -32.7709 -32.7709 -32.6641 -32.6641 -32.6632 -32.6632 -14.1711 -14.1711 -14.1617 -14.1617 -13.9387 -13.9387 -13.8022 -13.8022 -13.6927 -13.6927 -13.6910 -13.6910 -13.5880 -13.5880 -13.4658 -13.4658 -13.4507 -13.4507 -10.4792 -10.4792 0.5196 0.5196 4.2816 4.2816 4.2981 4.2981 4.3285 4.3285 8.0324 8.0324 8.1017 8.1017 8.4512 8.4512 8.7657 8.7657 9.1704 9.1704 9.3515 9.3515 9.4714 9.4714 k = 0.0532 0.0532-0.0000 ( 3875 PWs) bands (ev): -32.7715 -32.7715 -32.6637 -32.6637 -32.6631 -32.6631 -14.1701 -14.1701 -14.1636 -14.1636 -13.9399 -13.9399 -13.7990 -13.7990 -13.6924 -13.6924 -13.6912 -13.6912 -13.5877 -13.5877 -13.4608 -13.4608 -13.4501 -13.4501 -10.4910 -10.4910 0.5100 0.5100 4.2966 4.2966 4.3111 4.3111 4.3320 4.3320 8.1282 8.1282 8.1969 8.1969 8.4939 8.4939 8.7437 8.7437 9.0741 9.0741 9.3391 9.3391 9.4360 9.4360 k = 0.0426 0.0426-0.0000 ( 3887 PWs) bands (ev): -32.7720 -32.7720 -32.6634 -32.6634 -32.6630 -32.6630 -14.1693 -14.1693 -14.1652 -14.1652 -13.9409 -13.9409 -13.7964 -13.7964 -13.6921 -13.6921 -13.6913 -13.6913 -13.5874 -13.5874 -13.4566 -13.4566 -13.4496 -13.4496 -10.5008 -10.5008 0.5021 0.5021 4.3084 4.3084 4.3221 4.3221 4.3352 4.3352 8.2184 8.2184 8.2942 8.2942 8.5332 8.5332 8.7233 8.7233 8.9791 8.9791 9.3289 9.3289 9.4013 9.4013 k = 0.0319 0.0319-0.0000 ( 3887 PWs) bands (ev): -32.7723 -32.7723 -32.6631 -32.6631 -32.6629 -32.6629 -14.1688 -14.1688 -14.1664 -14.1664 -13.9416 -13.9416 -13.7943 -13.7943 -13.6919 -13.6919 -13.6914 -13.6914 -13.5872 -13.5872 -13.4532 -13.4532 -13.4492 -13.4492 -10.5084 -10.5084 0.4960 0.4960 4.3171 4.3171 4.3309 4.3309 4.3380 4.3380 8.3054 8.3054 8.3878 8.3878 8.5668 8.5668 8.7038 8.7038 8.8861 8.8861 9.3210 9.3210 9.3681 9.3681 k = 0.0213 0.0213-0.0000 ( 3887 PWs) bands (ev): -32.7726 -32.7726 -32.6629 -32.6629 -32.6628 -32.6628 -14.1684 -14.1684 -14.1673 -14.1673 -13.9421 -13.9421 -13.7929 -13.7929 -13.6917 -13.6917 -13.6915 -13.6915 -13.5870 -13.5870 -13.4508 -13.4508 -13.4490 -13.4490 -10.5140 -10.5140 0.4916 0.4916 4.3229 4.3229 4.3374 4.3374 4.3404 4.3404 8.3893 8.3893 8.4724 8.4724 8.5902 8.5902 8.6853 8.6853 8.7966 8.7966 9.3153 9.3153 9.3388 9.3394 k = 0.0106 0.0106-0.0000 ( 3887 PWs) bands (ev): -32.7728 -32.7728 -32.6628 -32.6628 -32.6628 -32.6628 -14.1681 -14.1681 -14.1679 -14.1679 -13.9424 -13.9424 -13.7920 -13.7920 -13.6916 -13.6916 -13.6915 -13.6915 -13.5869 -13.5869 -13.4493 -13.4493 -13.4488 -13.4488 -10.5173 -10.5173 0.4889 0.4889 4.3261 4.3261 4.3413 4.3413 4.3420 4.3420 8.4654 8.4654 8.5437 8.5437 8.5949 8.5949 8.6713 8.6713 8.7148 8.7148 9.3120 9.3160 9.3183 9.3186 k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -32.7728 -32.7728 -32.6628 -32.6628 -32.6628 -32.6628 -14.1680 -14.1680 -14.1680 -14.1680 -13.9425 -13.9425 -13.7917 -13.7917 -13.6916 -13.6916 -13.6916 -13.6916 -13.5868 -13.5868 -13.4488 -13.4488 -13.4488 -13.4488 -10.5184 -10.5184 0.4880 0.4880 4.3271 4.3271 4.3426 4.3426 4.3426 4.3426 8.5068 8.5068 8.5847 8.5847 8.5847 8.5847 8.6670 8.6670 8.6670 8.6670 9.3101 9.3104 9.3111 9.3111 k = 0.0000 0.0000 0.0000 ( 3887 PWs) bands (ev): -32.7728 -32.7728 -32.6628 -32.6628 -32.6628 -32.6628 -14.1680 -14.1680 -14.1680 -14.1680 -13.9425 -13.9425 -13.7917 -13.7917 -13.6916 -13.6916 -13.6916 -13.6916 -13.5868 -13.5868 -13.4488 -13.4488 -13.4488 -13.4488 -10.5184 -10.5184 0.4880 0.4880 4.3271 4.3271 4.3426 4.3426 4.3426 4.3426 8.5068 8.5068 8.5847 8.5847 8.5847 8.5847 8.6670 8.6670 8.6670 8.6670 9.3101 9.3101 9.3111 9.3111 k = 0.0086 0.0086 0.0086 ( 3887 PWs) bands (ev): -32.7728 -32.7728 -32.6628 -32.6628 -32.6628 -32.6628 -14.1681 -14.1681 -14.1678 -14.1678 -13.9424 -13.9424 -13.7920 -13.7920 -13.6916 -13.6916 -13.6916 -13.6916 -13.5869 -13.5869 -13.4493 -13.4493 -13.4488 -13.4488 -10.5173 -10.5173 0.4889 0.4889 4.3261 4.3261 4.3416 4.3416 4.3418 4.3418 8.4681 8.4681 8.5418 8.5418 8.5906 8.5906 8.6808 8.6808 8.7092 8.7092 9.3137 9.3142 9.3149 9.3161 k = 0.0172 0.0172 0.0172 ( 3887 PWs) bands (ev): -32.7726 -32.7726 -32.6629 -32.6629 -32.6629 -32.6629 -14.1684 -14.1684 -14.1673 -14.1673 -13.9421 -13.9421 -13.7929 -13.7929 -13.6916 -13.6916 -13.6916 -13.6916 -13.5870 -13.5870 -13.4508 -13.4508 -13.4489 -13.4489 -10.5140 -10.5140 0.4915 0.4915 4.3232 4.3232 4.3384 4.3384 4.3393 4.3393 8.4013 8.4013 8.4735 8.4735 8.5529 8.5529 8.7324 8.7324 8.7752 8.7752 9.3235 9.3235 9.3253 9.3253 k = 0.0259 0.0259 0.0259 ( 3887 PWs) bands (ev): -32.7723 -32.7723 -32.6630 -32.6630 -32.6630 -32.6630 -14.1689 -14.1689 -14.1663 -14.1663 -13.9416 -13.9416 -13.7943 -13.7943 -13.6917 -13.6917 -13.6916 -13.6916 -13.5872 -13.5872 -13.4533 -13.4533 -13.4491 -13.4491 -10.5086 -10.5086 0.4959 0.4959 4.3183 4.3183 4.3330 4.3330 4.3351 4.3351 8.3292 8.3292 8.4024 8.4024 8.4821 8.4821 8.7969 8.7969 8.8419 8.8419 9.3403 9.3403 9.3438 9.3438 k = 0.0345 0.0345 0.0345 ( 3884 PWs) bands (ev): -32.7720 -32.7720 -32.6632 -32.6632 -32.6632 -32.6632 -14.1697 -14.1697 -14.1649 -14.1649 -13.9409 -13.9409 -13.7963 -13.7963 -13.6918 -13.6918 -13.6917 -13.6917 -13.5874 -13.5874 -13.4567 -13.4567 -13.4494 -13.4494 -10.5010 -10.5010 0.5019 0.5019 4.3113 4.3113 4.3256 4.3256 4.3293 4.3293 8.2553 8.2553 8.3312 8.3312 8.3948 8.3948 8.8623 8.8623 8.9059 8.9059 9.3647 9.3647 9.3706 9.3707 k = 0.0431 0.0431 0.0431 ( 3878 PWs) bands (ev): -32.7715 -32.7715 -32.6634 -32.6634 -32.6634 -32.6634 -14.1707 -14.1707 -14.1631 -14.1631 -13.9399 -13.9399 -13.7989 -13.7989 -13.6919 -13.6919 -13.6917 -13.6917 -13.5877 -13.5877 -13.4609 -13.4609 -13.4497 -13.4497 -10.4914 -10.4914 0.5097 0.5097 4.3023 4.3023 4.3160 4.3160 4.3221 4.3221 8.1797 8.1797 8.2607 8.2607 8.2996 8.2996 8.9251 8.9251 8.9655 8.9655 9.3973 9.3973 9.4066 9.4066 k = 0.0517 0.0517 0.0517 ( 3866 PWs) bands (ev): -32.7709 -32.7709 -32.6637 -32.6637 -32.6637 -32.6637 -14.1720 -14.1720 -14.1610 -14.1610 -13.9387 -13.9387 -13.8021 -13.8021 -13.6920 -13.6920 -13.6917 -13.6917 -13.5880 -13.5880 -13.4659 -13.4659 -13.4502 -13.4502 -10.4797 -10.4797 0.5191 0.5191 4.2912 4.2912 4.3045 4.3045 4.3133 4.3133 8.1011 8.1011 8.1913 8.1913 8.2030 8.2030 8.9837 8.9837 9.0200 9.0200 9.4387 9.4387 9.4520 9.4520 k = 0.0603 0.0603 0.0603 ( 3869 PWs) bands (ev): -32.7702 -32.7702 -32.6640 -32.6640 -32.6640 -32.6640 -14.1737 -14.1737 -14.1586 -14.1586 -13.9373 -13.9373 -13.8060 -13.8060 -13.6921 -13.6921 -13.6918 -13.6918 -13.5883 -13.5883 -13.4716 -13.4716 -13.4506 -13.4506 -10.4661 -10.4661 0.5302 0.5302 4.2780 4.2780 4.2909 4.2909 4.3030 4.3030 8.0164 8.0164 8.1111 8.1111 8.1234 8.1234 9.0375 9.0375 9.0691 9.0691 9.4888 9.4888 9.5066 9.5067 k = 0.0690 0.0690 0.0690 ( 3863 PWs) bands (ev): -32.7694 -32.7694 -32.6643 -32.6643 -32.6643 -32.6643 -14.1758 -14.1758 -14.1558 -14.1558 -13.9357 -13.9357 -13.8104 -13.8104 -13.6922 -13.6922 -13.6918 -13.6918 -13.5887 -13.5887 -13.4779 -13.4779 -13.4512 -13.4512 -10.4506 -10.4506 0.5428 0.5428 4.2628 4.2628 4.2754 4.2754 4.2912 4.2912 7.9235 7.9235 8.0283 8.0283 8.0570 8.0570 9.0866 9.0866 9.1135 9.1135 9.5458 9.5458 9.5572 9.5572 k = 0.0776 0.0776 0.0776 ( 3869 PWs) bands (ev): -32.7685 -32.7685 -32.6648 -32.6648 -32.6648 -32.6648 -14.1784 -14.1784 -14.1527 -14.1527 -13.9339 -13.9339 -13.8155 -13.8155 -13.6924 -13.6924 -13.6919 -13.6919 -13.5890 -13.5890 -13.4845 -13.4845 -13.4518 -13.4518 -10.4333 -10.4333 0.5569 0.5569 4.2457 4.2457 4.2581 4.2581 4.2778 4.2778 7.8244 7.8244 7.9540 7.9540 7.9924 7.9924 9.1315 9.1315 9.1543 9.1543 9.5905 9.5905 9.6158 9.6159 k = 0.0862 0.0862 0.0862 ( 3869 PWs) bands (ev): -32.7675 -32.7675 -32.6652 -32.6652 -32.6652 -32.6652 -14.1816 -14.1816 -14.1494 -14.1494 -13.9318 -13.9318 -13.8210 -13.8210 -13.6925 -13.6925 -13.6919 -13.6919 -13.5894 -13.5894 -13.4915 -13.4915 -13.4524 -13.4524 -10.4143 -10.4143 0.5724 0.5724 4.2268 4.2268 4.2389 4.2389 4.2628 4.2628 7.7227 7.7227 7.8857 7.8857 7.9296 7.9296 9.1733 9.1733 9.1926 9.1926 9.6297 9.6297 9.6876 9.6878 k = 0.0948 0.0948 0.0948 ( 3869 PWs) bands (ev): -32.7664 -32.7664 -32.6658 -32.6658 -32.6658 -32.6658 -14.1854 -14.1854 -14.1458 -14.1458 -13.9297 -13.9297 -13.8271 -13.8271 -13.6927 -13.6927 -13.6919 -13.6919 -13.5896 -13.5896 -13.4987 -13.4987 -13.4531 -13.4531 -10.3938 -10.3938 0.5894 0.5894 4.2061 4.2061 4.2181 4.2181 4.2462 4.2462 7.6213 7.6213 7.8215 7.8215 7.8687 7.8687 9.2131 9.2131 9.2295 9.2295 9.6706 9.6706 9.7647 9.7652 k = 0.1034 0.1034 0.1034 ( 3869 PWs) bands (ev): -32.7652 -32.7652 -32.6663 -32.6663 -32.6663 -32.6663 -14.1899 -14.1899 -14.1419 -14.1419 -13.9274 -13.9274 -13.8335 -13.8335 -13.6929 -13.6929 -13.6918 -13.6918 -13.5899 -13.5899 -13.5060 -13.5060 -13.4538 -13.4538 -10.3717 -10.3717 0.6076 0.6076 4.1837 4.1837 4.1956 4.1956 4.2280 4.2280 7.5216 7.5216 7.7605 7.7605 7.8099 7.8099 9.2517 9.2517 9.2658 9.2658 9.7138 9.7138 9.8454 9.8456 k = 0.1121 0.1121 0.1121 ( 3878 PWs) bands (ev): -32.7640 -32.7640 -32.6669 -32.6669 -32.6669 -32.6669 -14.1953 -14.1953 -14.1379 -14.1379 -13.9251 -13.9251 -13.8400 -13.8400 -13.6932 -13.6932 -13.6917 -13.6917 -13.5900 -13.5900 -13.5132 -13.5132 -13.4545 -13.4545 -10.3483 -10.3483 0.6270 0.6270 4.1597 4.1597 4.1715 4.1715 4.2080 4.2080 7.4246 7.4246 7.7022 7.7022 7.7532 7.7532 9.2900 9.2900 9.3022 9.3022 9.7594 9.7594 9.9286 9.9293 k = 0.1207 0.1207 0.1207 ( 3881 PWs) bands (ev): -32.7626 -32.7626 -32.6675 -32.6675 -32.6675 -32.6675 -14.2015 -14.2015 -14.1337 -14.1337 -13.9231 -13.9231 -13.8464 -13.8464 -13.6936 -13.6936 -13.6914 -13.6914 -13.5901 -13.5901 -13.5203 -13.5203 -13.4552 -13.4552 -10.3236 -10.3236 0.6476 0.6476 4.1342 4.1342 4.1460 4.1460 4.1862 4.1862 7.3311 7.3311 7.6465 7.6465 7.6986 7.6986 9.3283 9.3283 9.3391 9.3391 9.8076 9.8076 10.0135 10.0139 k = 0.1293 0.1293 0.1293 ( 3875 PWs) bands (ev): -32.7612 -32.7612 -32.6682 -32.6682 -32.6682 -32.6682 -14.2086 -14.2086 -14.1293 -14.1293 -13.9217 -13.9217 -13.8523 -13.8523 -13.6941 -13.6941 -13.6911 -13.6911 -13.5900 -13.5900 -13.5271 -13.5271 -13.4559 -13.4559 -10.2978 -10.2978 0.6692 0.6692 4.1073 4.1073 4.1191 4.1191 4.1628 4.1628 7.2415 7.2415 7.5933 7.5933 7.6462 7.6462 9.3671 9.3671 9.3767 9.3767 9.8584 9.8584 10.0992 10.0996 k = 0.1379 0.1379 0.1379 ( 3881 PWs) bands (ev): -32.7597 -32.7597 -32.6689 -32.6689 -32.6689 -32.6689 -14.2168 -14.2168 -14.1249 -14.1249 -13.9212 -13.9212 -13.8571 -13.8571 -13.6948 -13.6948 -13.6906 -13.6906 -13.5899 -13.5899 -13.5336 -13.5336 -13.4567 -13.4567 -10.2709 -10.2709 0.6916 0.6916 4.0792 4.0792 4.0909 4.0909 4.1376 4.1376 7.1561 7.1561 7.5425 7.5425 7.5960 7.5960 9.4066 9.4066 9.4153 9.4153 9.9118 9.9118 10.1851 10.1853 k = 0.1466 0.1466 0.1466 ( 3884 PWs) bands (ev): -32.7581 -32.7581 -32.6697 -32.6697 -32.6697 -32.6697 -14.2261 -14.2261 -14.1204 -14.1204 -13.9221 -13.9221 -13.8603 -13.8603 -13.6957 -13.6957 -13.6900 -13.6900 -13.5896 -13.5896 -13.5395 -13.5395 -13.4574 -13.4574 -10.2430 -10.2430 0.7149 0.7149 4.0498 4.0498 4.0616 4.0616 4.1106 4.1106 7.0754 7.0754 7.4941 7.4941 7.5481 7.5481 9.4469 9.4469 9.4549 9.4549 9.9677 9.9677 10.2706 10.2716 k = 0.1552 0.1552 0.1552 ( 3878 PWs) bands (ev): -32.7565 -32.7565 -32.6704 -32.6704 -32.6704 -32.6704 -14.2365 -14.2365 -14.1160 -14.1160 -13.9248 -13.9248 -13.8615 -13.8615 -13.6968 -13.6968 -13.6891 -13.6891 -13.5893 -13.5893 -13.5449 -13.5449 -13.4581 -13.4581 -10.2144 -10.2144 0.7389 0.7389 4.0194 4.0194 4.0312 4.0312 4.0819 4.0819 6.9995 6.9995 7.4480 7.4480 7.5024 7.5024 9.4882 9.4882 9.4955 9.4955 10.0262 10.0262 10.3552 10.3577 k = 0.1638 0.1638 0.1638 ( 3881 PWs) bands (ev): -32.7547 -32.7547 -32.6712 -32.6712 -32.6712 -32.6712 -14.2480 -14.2480 -14.1115 -14.1115 -13.9293 -13.9293 -13.8605 -13.8605 -13.6982 -13.6982 -13.6881 -13.6881 -13.5888 -13.5888 -13.5498 -13.5498 -13.4587 -13.4587 -10.1850 -10.1850 0.7635 0.7635 3.9879 3.9879 3.9998 3.9998 4.0516 4.0516 6.9287 6.9287 7.4043 7.4043 7.4590 7.4590 9.5303 9.5303 9.5371 9.5371 10.0871 10.0871 10.4383 10.4396 k = 0.1724 0.1724 0.1724 ( 3881 PWs) bands (ev): -32.7530 -32.7530 -32.6721 -32.6721 -32.6721 -32.6721 -14.2607 -14.2607 -14.1071 -14.1071 -13.9351 -13.9351 -13.8578 -13.8578 -13.6999 -13.6999 -13.6869 -13.6869 -13.5883 -13.5883 -13.5539 -13.5539 -13.4593 -13.4593 -10.1550 -10.1550 0.7884 0.7884 3.9556 3.9556 3.9676 3.9676 4.0196 4.0196 6.8631 6.8631 7.3630 7.3630 7.4179 7.4179 9.5733 9.5733 9.5797 9.5797 10.1503 10.1503 10.5192 10.5201 k = 0.1810 0.1810 0.1810 ( 3881 PWs) bands (ev): -32.7512 -32.7512 -32.6729 -32.6729 -32.6729 -32.6729 -14.2745 -14.2745 -14.1028 -14.1028 -13.9419 -13.9419 -13.8536 -13.8536 -13.7020 -13.7020 -13.6855 -13.6855 -13.5877 -13.5877 -13.5572 -13.5572 -13.4599 -13.4599 -10.1245 -10.1245 0.8137 0.8137 3.9226 3.9226 3.9346 3.9346 3.9861 3.9861 6.8028 6.8028 7.3240 7.3240 7.3791 7.3791 9.6171 9.6171 9.6231 9.6231 10.2156 10.2156 10.5973 10.5987 k = 0.1897 0.1897 0.1897 ( 3881 PWs) bands (ev): -32.7493 -32.7493 -32.6738 -32.6738 -32.6738 -32.6738 -14.2893 -14.2893 -14.0987 -14.0987 -13.9491 -13.9491 -13.8485 -13.8485 -13.7045 -13.7045 -13.6838 -13.6838 -13.5871 -13.5871 -13.5597 -13.5597 -13.4604 -13.4604 -10.0936 -10.0936 0.8392 0.8392 3.8888 3.8888 3.9010 3.9010 3.9511 3.9511 6.7480 6.7480 7.2874 7.2874 7.3426 7.3426 9.6615 9.6615 9.6673 9.6673 10.2827 10.2827 10.6718 10.6719 k = 0.1983 0.1983 0.1983 ( 3863 PWs) bands (ev): -32.7474 -32.7474 -32.6746 -32.6746 -32.6746 -32.6746 -14.3052 -14.3052 -14.0947 -14.0947 -13.9565 -13.9565 -13.8425 -13.8425 -13.7072 -13.7072 -13.6817 -13.6817 -13.5866 -13.5866 -13.5613 -13.5613 -13.4609 -13.4609 -10.0623 -10.0623 0.8647 0.8647 3.8545 3.8545 3.8668 3.8668 3.9149 3.9149 6.6986 6.6986 7.2531 7.2531 7.3084 7.3084 9.7064 9.7064 9.7120 9.7120 10.3513 10.3513 10.7421 10.7435 k = 0.2069 0.2069 0.2069 ( 3863 PWs) bands (ev): -32.7454 -32.7454 -32.6756 -32.6756 -32.6756 -32.6756 -14.3220 -14.3220 -14.0910 -14.0910 -13.9640 -13.9640 -13.8360 -13.8360 -13.7104 -13.7104 -13.6794 -13.6794 -13.5862 -13.5862 -13.5620 -13.5620 -13.4613 -13.4613 -10.0309 -10.0309 0.8901 0.8901 3.8198 3.8198 3.8322 3.8322 3.8775 3.8775 6.6548 6.6548 7.2211 7.2211 7.2764 7.2764 9.7516 9.7516 9.7571 9.7571 10.4209 10.4209 10.8071 10.8120 k = 0.2155 0.2155 0.2155 ( 3875 PWs) bands (ev): -32.7435 -32.7435 -32.6765 -32.6765 -32.6765 -32.6765 -14.3397 -14.3397 -14.0875 -14.0875 -13.9714 -13.9714 -13.8292 -13.8292 -13.7139 -13.7139 -13.6769 -13.6769 -13.5859 -13.5859 -13.5619 -13.5619 -13.4617 -13.4617 -9.9994 -9.9994 0.9153 0.9153 3.7847 3.7847 3.7973 3.7973 3.8391 3.8391 6.6164 6.6164 7.1914 7.1914 7.2468 7.2468 9.7968 9.7968 9.8022 9.8022 10.4906 10.4906 10.8659 10.8666 k = 0.2241 0.2241 0.2241 ( 3869 PWs) bands (ev): -32.7415 -32.7415 -32.6774 -32.6774 -32.6774 -32.6774 -14.3581 -14.3581 -14.0843 -14.0843 -13.9785 -13.9785 -13.8221 -13.8221 -13.7177 -13.7177 -13.6740 -13.6740 -13.5857 -13.5857 -13.5608 -13.5608 -13.4619 -13.4619 -9.9678 -9.9678 0.9401 0.9401 3.7493 3.7493 3.7621 3.7621 3.8000 3.8000 6.5834 6.5834 7.1640 7.1640 7.2193 7.2193 9.8418 9.8418 9.8471 9.8471 10.5593 10.5593 10.9175 10.9177 k = 0.2328 0.2328 0.2328 ( 3866 PWs) bands (ev): -32.7395 -32.7395 -32.6783 -32.6783 -32.6783 -32.6783 -14.3772 -14.3772 -14.0814 -14.0814 -13.9855 -13.9855 -13.8148 -13.8148 -13.7217 -13.7217 -13.6708 -13.6708 -13.5855 -13.5855 -13.5591 -13.5591 -13.4622 -13.4622 -9.9362 -9.9362 0.9644 0.9644 3.7138 3.7138 3.7268 3.7268 3.7603 3.7603 6.5558 6.5558 7.1388 7.1388 7.1942 7.1942 9.8862 9.8863 9.8915 9.8915 10.6242 10.6242 10.9612 10.9612 k = 0.2414 0.2414 0.2414 ( 3872 PWs) bands (ev): -32.7374 -32.7374 -32.6793 -32.6793 -32.6793 -32.6793 -14.3968 -14.3968 -14.0789 -14.0789 -13.9921 -13.9921 -13.8074 -13.8074 -13.7259 -13.7259 -13.6673 -13.6673 -13.5852 -13.5852 -13.5567 -13.5567 -13.4623 -13.4623 -9.9049 -9.9049 0.9881 0.9881 3.6782 3.6782 3.6915 3.6915 3.7202 3.7202 6.5334 6.5334 7.1159 7.1159 7.1712 7.1712 9.9296 9.9296 9.9349 9.9349 10.6808 10.6808 10.9962 10.9967 k = 0.2500 0.2500 0.2500 ( 3872 PWs) bands (ev): -32.7354 -32.7354 -32.6802 -32.6802 -32.6802 -32.6802 -14.4167 -14.4167 -14.0766 -14.0766 -13.9985 -13.9985 -13.8000 -13.8000 -13.7303 -13.7303 -13.6635 -13.6635 -13.5849 -13.5849 -13.5538 -13.5538 -13.4624 -13.4624 -9.8737 -9.8737 1.0111 1.0111 3.6426 3.6426 3.6563 3.6563 3.6801 3.6801 6.5162 6.5162 7.0951 7.0951 7.1503 7.1503 9.9715 9.9715 9.9768 9.9768 10.7212 10.7212 11.0228 11.0253 k = 0.2586 0.2586 0.2586 ( 3875 PWs) bands (ev): -32.7334 -32.7334 -32.6812 -32.6812 -32.6812 -32.6812 -14.4369 -14.4369 -14.0747 -14.0747 -14.0047 -14.0047 -13.7928 -13.7928 -13.7347 -13.7347 -13.6594 -13.6594 -13.5844 -13.5844 -13.5505 -13.5505 -13.4624 -13.4624 -9.8429 -9.8429 1.0331 1.0331 3.6071 3.6071 3.6213 3.6213 3.6400 3.6400 6.5039 6.5039 7.0765 7.0765 7.1316 7.1316 10.0114 10.0114 10.0168 10.0168 10.7368 10.7368 11.0457 11.0482 k = 0.2672 0.2672 0.2672 ( 3881 PWs) bands (ev): -32.7313 -32.7313 -32.6821 -32.6821 -32.6821 -32.6821 -14.4574 -14.4574 -14.0732 -14.0732 -14.0106 -14.0106 -13.7858 -13.7858 -13.7391 -13.7391 -13.6550 -13.6550 -13.5838 -13.5838 -13.5468 -13.5468 -13.4623 -13.4623 -9.8124 -9.8124 1.0542 1.0542 3.5717 3.5717 3.5865 3.5865 3.6003 3.6003 6.4965 6.4965 7.0600 7.0600 7.1150 7.1150 10.0484 10.0484 10.0540 10.0540 10.7276 10.7276 11.0569 11.0597 k = 0.2759 0.2759 0.2759 ( 3872 PWs) bands (ev): -32.7293 -32.7293 -32.6831 -32.6831 -32.6831 -32.6831 -14.4778 -14.4778 -14.0720 -14.0720 -14.0162 -14.0162 -13.7792 -13.7792 -13.7431 -13.7431 -13.6504 -13.6504 -13.5831 -13.5831 -13.5427 -13.5427 -13.4621 -13.4621 -9.7824 -9.7824 1.0742 1.0742 3.5366 3.5366 3.5521 3.5521 3.5613 3.5613 6.4937 6.4937 7.0456 7.0456 7.1005 7.1005 10.0820 10.0820 10.0877 10.0877 10.7013 10.7013 11.0617 11.0647 k = 0.2845 0.2845 0.2845 ( 3884 PWs) bands (ev): -32.7273 -32.7273 -32.6840 -32.6840 -32.6840 -32.6840 -14.4983 -14.4983 -14.0711 -14.0711 -14.0216 -14.0216 -13.7737 -13.7737 -13.7465 -13.7465 -13.6456 -13.6456 -13.5822 -13.5822 -13.5385 -13.5385 -13.4618 -13.4618 -9.7529 -9.7529 1.0931 1.0931 3.5017 3.5017 3.5182 3.5182 3.5231 3.5231 6.4954 6.4954 7.0331 7.0331 7.0879 7.0879 10.1111 10.1111 10.1171 10.1171 10.6652 10.6652 11.0621 11.0635 k = 0.2931 0.2931 0.2931 ( 3890 PWs) bands (ev): -32.7253 -32.7253 -32.6849 -32.6849 -32.6849 -32.6849 -14.5185 -14.5185 -14.0705 -14.0705 -14.0268 -14.0268 -13.7700 -13.7700 -13.7481 -13.7481 -13.6406 -13.6406 -13.5812 -13.5812 -13.5339 -13.5339 -13.4615 -13.4615 -9.7240 -9.7240 1.1107 1.1107 3.4670 3.4670 3.4848 3.4848 3.4861 3.4861 6.5013 6.5013 7.0226 7.0226 7.0772 7.0772 10.1350 10.1350 10.1412 10.1412 10.6234 10.6234 11.0598 11.0612 k = 0.3017 0.3017 0.3017 ( 3896 PWs) bands (ev): -32.7234 -32.7234 -32.6858 -32.6858 -32.6858 -32.6858 -14.5385 -14.5385 -14.0702 -14.0702 -14.0317 -14.0317 -13.7693 -13.7693 -13.7469 -13.7469 -13.6354 -13.6354 -13.5801 -13.5801 -13.5291 -13.5291 -13.4611 -13.4611 -9.6957 -9.6957 1.1271 1.1271 3.4326 3.4326 3.4505 3.4505 3.4521 3.4521 6.5112 6.5112 7.0139 7.0139 7.0684 7.0684 10.1526 10.1526 10.1592 10.1592 10.5782 10.5782 11.0568 11.0571 k = 0.3103 0.3103 0.3103 ( 3902 PWs) bands (ev): -32.7215 -32.7215 -32.6867 -32.6867 -32.6867 -32.6867 -14.5583 -14.5583 -14.0702 -14.0702 -14.0364 -14.0364 -13.7714 -13.7714 -13.7432 -13.7432 -13.6301 -13.6301 -13.5790 -13.5790 -13.5242 -13.5242 -13.4606 -13.4606 -9.6682 -9.6682 1.1421 1.1421 3.3987 3.3987 3.4162 3.4162 3.4200 3.4200 6.5249 6.5249 7.0070 7.0070 7.0613 7.0613 10.1633 10.1633 10.1702 10.1702 10.5308 10.5308 11.0546 11.0547 k = 0.3190 0.3190 0.3190 ( 3884 PWs) bands (ev): -32.7196 -32.7196 -32.6875 -32.6875 -32.6875 -32.6875 -14.5775 -14.5775 -14.0704 -14.0704 -14.0409 -14.0409 -13.7748 -13.7748 -13.7382 -13.7382 -13.6247 -13.6247 -13.5777 -13.5777 -13.5191 -13.5191 -13.4600 -13.4600 -9.6415 -9.6415 1.1558 1.1558 3.3655 3.3655 3.3835 3.3835 3.3888 3.3888 6.5421 6.5421 7.0019 7.0019 7.0560 7.0560 10.1666 10.1666 10.1738 10.1738 10.4819 10.4819 11.0547 11.0553 k = 0.3276 0.3276 0.3276 ( 3884 PWs) bands (ev): -32.7177 -32.7177 -32.6884 -32.6884 -32.6884 -32.6884 -14.5963 -14.5963 -14.0708 -14.0708 -14.0452 -14.0452 -13.7788 -13.7788 -13.7330 -13.7330 -13.6193 -13.6193 -13.5763 -13.5763 -13.5139 -13.5139 -13.4594 -13.4594 -9.6156 -9.6156 1.1681 1.1681 3.3333 3.3333 3.3520 3.3520 3.3585 3.3585 6.5626 6.5626 6.9984 6.9984 7.0522 7.0522 10.1622 10.1622 10.1697 10.1697 10.4320 10.4320 11.0584 11.0593 k = 0.3362 0.3362 0.3362 ( 3884 PWs) bands (ev): -32.7160 -32.7160 -32.6892 -32.6892 -32.6892 -32.6892 -14.6146 -14.6146 -14.0715 -14.0715 -14.0493 -14.0493 -13.7829 -13.7829 -13.7278 -13.7278 -13.6139 -13.6139 -13.5749 -13.5749 -13.5086 -13.5086 -13.4586 -13.4586 -9.5906 -9.5906 1.1791 1.1791 3.3022 3.3022 3.3219 3.3219 3.3292 3.3292 6.5860 6.5860 6.9964 6.9964 7.0500 7.0500 10.1506 10.1506 10.1582 10.1582 10.3813 10.3813 11.0658 11.0664 k = 0.3448 0.3448 0.3448 ( 3884 PWs) bands (ev): -32.7142 -32.7142 -32.6900 -32.6900 -32.6900 -32.6900 -14.6323 -14.6323 -14.0723 -14.0723 -14.0532 -14.0532 -13.7871 -13.7871 -13.7228 -13.7228 -13.6086 -13.6086 -13.5734 -13.5734 -13.5033 -13.5033 -13.4578 -13.4578 -9.5665 -9.5665 1.1888 1.1888 3.2726 3.2726 3.2931 3.2931 3.3008 3.3008 6.6121 6.6121 6.9959 6.9959 7.0492 7.0492 10.1322 10.1322 10.1401 10.1401 10.3302 10.3302 11.0771 11.0783 k = 0.3534 0.3534 0.3534 ( 3896 PWs) bands (ev): -32.7126 -32.7126 -32.6908 -32.6908 -32.6908 -32.6908 -14.6494 -14.6494 -14.0733 -14.0733 -14.0569 -14.0569 -13.7912 -13.7912 -13.7180 -13.7180 -13.6034 -13.6034 -13.5720 -13.5720 -13.4980 -13.4980 -13.4569 -13.4569 -9.5435 -9.5435 1.1972 1.1972 3.2444 3.2444 3.2656 3.2656 3.2736 3.2736 6.6405 6.6405 6.9966 6.9966 7.0496 7.0496 10.1082 10.1082 10.1162 10.1162 10.2789 10.2789 11.0917 11.0945 k = 0.3621 0.3621 0.3621 ( 3890 PWs) bands (ev): -32.7110 -32.7110 -32.6915 -32.6915 -32.6915 -32.6915 -14.6657 -14.6657 -14.0744 -14.0744 -14.0604 -14.0604 -13.7952 -13.7952 -13.7135 -13.7135 -13.5983 -13.5983 -13.5705 -13.5705 -13.4928 -13.4928 -13.4559 -13.4559 -9.5215 -9.5215 1.2044 1.2044 3.2178 3.2178 3.2394 3.2394 3.2476 3.2476 6.6709 6.6709 6.9987 6.9987 7.0513 7.0513 10.0797 10.0797 10.0877 10.0877 10.2276 10.2276 11.1091 11.1110 k = 0.3707 0.3707 0.3707 ( 3887 PWs) bands (ev): -32.7094 -32.7094 -32.6922 -32.6922 -32.6922 -32.6922 -14.6813 -14.6813 -14.0755 -14.0755 -14.0637 -14.0637 -13.7990 -13.7990 -13.7092 -13.7092 -13.5934 -13.5934 -13.5690 -13.5690 -13.4876 -13.4876 -13.4549 -13.4549 -9.5005 -9.5005 1.2104 1.2104 3.1928 3.1928 3.2145 3.2145 3.2228 3.2228 6.7029 6.7029 7.0018 7.0018 7.0539 7.0539 10.0477 10.0477 10.0558 10.0558 10.1766 10.1766 11.1292 11.1311 k = 0.3793 0.3793 0.3793 ( 3882 PWs) bands (ev): -32.7080 -32.7080 -32.6929 -32.6929 -32.6929 -32.6929 -14.6960 -14.6960 -14.0767 -14.0767 -14.0667 -14.0667 -13.8027 -13.8027 -13.7053 -13.7053 -13.5887 -13.5887 -13.5675 -13.5675 -13.4825 -13.4825 -13.4538 -13.4538 -9.4808 -9.4808 1.2154 1.2154 3.1695 3.1695 3.1911 3.1911 3.1993 3.1993 6.7360 6.7360 7.0060 7.0060 7.0575 7.0575 10.0135 10.0135 10.0215 10.0215 10.1263 10.1263 11.1504 11.1515 k = 0.3879 0.3879 0.3879 ( 3864 PWs) bands (ev): -32.7066 -32.7066 -32.6935 -32.6935 -32.6935 -32.6935 -14.7098 -14.7098 -14.0779 -14.0779 -14.0696 -14.0696 -13.8061 -13.8061 -13.7017 -13.7017 -13.5842 -13.5842 -13.5660 -13.5660 -13.4776 -13.4776 -13.4527 -13.4527 -9.4622 -9.4622 1.2194 1.2194 3.1478 3.1478 3.1692 3.1692 3.1772 3.1772 6.7699 6.7699 7.0110 7.0110 7.0618 7.0618 9.9779 9.9779 9.9859 9.9859 10.0767 10.0767 11.1692 11.1727 k = 0.3966 0.3966 0.3966 ( 3876 PWs) bands (ev): -32.7053 -32.7053 -32.6941 -32.6941 -32.6941 -32.6941 -14.7229 -14.7229 -14.0792 -14.0792 -14.0724 -14.0724 -13.8094 -13.8094 -13.6984 -13.6984 -13.5800 -13.5800 -13.5646 -13.5646 -13.4729 -13.4729 -13.4516 -13.4516 -9.4448 -9.4448 1.2225 1.2225 3.1278 3.1278 3.1488 3.1488 3.1565 3.1565 6.8041 6.8041 7.0169 7.0169 7.0667 7.0667 9.9419 9.9419 9.9498 9.9498 10.0283 10.0283 11.1903 11.1925 k = 0.4052 0.4052 0.4052 ( 3876 PWs) bands (ev): -32.7041 -32.7041 -32.6946 -32.6946 -32.6946 -32.6946 -14.7350 -14.7350 -14.0804 -14.0804 -14.0749 -14.0749 -13.8124 -13.8124 -13.6954 -13.6954 -13.5761 -13.5761 -13.5632 -13.5632 -13.4684 -13.4684 -13.4505 -13.4505 -9.4287 -9.4287 1.2249 1.2249 3.1094 3.1094 3.1300 3.1300 3.1372 3.1372 6.8379 6.8379 7.0235 7.0235 7.0721 7.0721 9.9062 9.9062 9.9141 9.9141 9.9814 9.9814 11.2096 11.2116 k = 0.4138 0.4138 0.4138 ( 3879 PWs) bands (ev): -32.7030 -32.7030 -32.6951 -32.6951 -32.6951 -32.6951 -14.7461 -14.7461 -14.0817 -14.0817 -14.0772 -14.0772 -13.8152 -13.8152 -13.6927 -13.6927 -13.5725 -13.5725 -13.5620 -13.5620 -13.4643 -13.4643 -13.4494 -13.4494 -9.4139 -9.4139 1.2266 1.2266 3.0926 3.0926 3.1129 3.1129 3.1195 3.1195 6.8708 6.8708 7.0307 7.0307 7.0777 7.0777 9.8715 9.8715 9.8794 9.8794 9.9363 9.9363 11.2275 11.2303 k = 0.4224 0.4224 0.4224 ( 3885 PWs) bands (ev): -32.7020 -32.7020 -32.6956 -32.6956 -32.6956 -32.6956 -14.7563 -14.7563 -14.0828 -14.0828 -14.0793 -14.0793 -13.8178 -13.8178 -13.6904 -13.6904 -13.5693 -13.5693 -13.5608 -13.5608 -13.4604 -13.4604 -13.4483 -13.4483 -9.4004 -9.4004 1.2277 1.2277 3.0773 3.0773 3.0974 3.0974 3.1033 3.1033 6.9021 6.9021 7.0387 7.0387 7.0835 7.0835 9.8385 9.8385 9.8463 9.8463 9.8935 9.8935 11.2456 11.2482 k = 0.4310 0.4310 0.4310 ( 3879 PWs) bands (ev): -32.7011 -32.7011 -32.6960 -32.6960 -32.6960 -32.6960 -14.7655 -14.7655 -14.0839 -14.0839 -14.0812 -14.0812 -13.8201 -13.8201 -13.6882 -13.6882 -13.5663 -13.5663 -13.5597 -13.5597 -13.4568 -13.4568 -13.4472 -13.4472 -9.3882 -9.3882 1.2284 1.2284 3.0636 3.0636 3.0836 3.0836 3.0887 3.0887 6.9311 6.9311 7.0474 7.0474 7.0892 7.0892 9.8076 9.8076 9.8154 9.8154 9.8536 9.8536 11.2607 11.2650 k = 0.4397 0.4397 0.4397 ( 3885 PWs) bands (ev): -32.7003 -32.7003 -32.6964 -32.6964 -32.6964 -32.6964 -14.7736 -14.7736 -14.0849 -14.0849 -14.0829 -14.0829 -13.8222 -13.8222 -13.6864 -13.6864 -13.5638 -13.5638 -13.5587 -13.5587 -13.4536 -13.4536 -13.4463 -13.4463 -9.3775 -9.3775 1.2288 1.2288 3.0515 3.0515 3.0715 3.0715 3.0758 3.0758 6.9569 6.9569 7.0570 7.0570 7.0947 7.0947 9.7792 9.7792 9.7871 9.7871 9.8168 9.8168 11.2742 11.2783 k = 0.4483 0.4483 0.4483 ( 3882 PWs) bands (ev): -32.6996 -32.6996 -32.6967 -32.6967 -32.6967 -32.6967 -14.7807 -14.7807 -14.0858 -14.0858 -14.0843 -14.0843 -13.8240 -13.8240 -13.6848 -13.6848 -13.5615 -13.5615 -13.5578 -13.5578 -13.4507 -13.4507 -13.4454 -13.4454 -9.3681 -9.3681 1.2289 1.2289 3.0409 3.0409 3.0611 3.0611 3.0645 3.0645 6.9788 6.9788 7.0675 7.0675 7.0998 7.0998 9.7538 9.7538 9.7617 9.7617 9.7839 9.7839 11.2865 11.2907 k = 0.4569 0.4569 0.4569 ( 3882 PWs) bands (ev): -32.6990 -32.6990 -32.6970 -32.6970 -32.6970 -32.6970 -14.7867 -14.7867 -14.0865 -14.0865 -14.0855 -14.0855 -13.8255 -13.8255 -13.6834 -13.6834 -13.5596 -13.5596 -13.5571 -13.5571 -13.4483 -13.4483 -13.4446 -13.4446 -9.3601 -9.3601 1.2289 1.2289 3.0318 3.0318 3.0524 3.0524 3.0549 3.0549 6.9962 6.9962 7.0788 7.0788 7.1044 7.1044 9.7316 9.7316 9.7397 9.7397 9.7550 9.7550 11.2976 11.3023 k = 0.4655 0.4655 0.4655 ( 3882 PWs) bands (ev): -32.6985 -32.6985 -32.6972 -32.6972 -32.6972 -32.6972 -14.7916 -14.7916 -14.0872 -14.0872 -14.0865 -14.0865 -13.8268 -13.8268 -13.6824 -13.6824 -13.5580 -13.5580 -13.5564 -13.5564 -13.4463 -13.4463 -13.4439 -13.4439 -9.3535 -9.3535 1.2287 1.2287 3.0244 3.0244 3.0453 3.0453 3.0470 3.0470 7.0094 7.0094 7.0901 7.0901 7.1084 7.1084 9.7129 9.7129 9.7214 9.7214 9.7309 9.7309 11.3068 11.3161 k = 0.4741 0.4741 0.4741 ( 3888 PWs) bands (ev): -32.6981 -32.6981 -32.6974 -32.6974 -32.6974 -32.6974 -14.7955 -14.7955 -14.0877 -14.0877 -14.0873 -14.0873 -13.8278 -13.8278 -13.6816 -13.6816 -13.5568 -13.5568 -13.5559 -13.5559 -13.4447 -13.4447 -13.4433 -13.4433 -9.3484 -9.3484 1.2286 1.2286 3.0186 3.0186 3.0399 3.0399 3.0408 3.0408 7.0187 7.0187 7.1005 7.1005 7.1116 7.1116 9.6979 9.6979 9.7068 9.7068 9.7120 9.7120 11.3122 11.3185 k = 0.4828 0.4828 0.4828 ( 3891 PWs) bands (ev): -32.6978 -32.6978 -32.6975 -32.6975 -32.6975 -32.6975 -14.7983 -14.7983 -14.0881 -14.0881 -14.0879 -14.0879 -13.8285 -13.8285 -13.6810 -13.6810 -13.5560 -13.5560 -13.5556 -13.5556 -13.4436 -13.4436 -13.4429 -13.4429 -9.3448 -9.3448 1.2284 1.2284 3.0144 3.0144 3.0360 3.0360 3.0364 3.0364 7.0249 7.0249 7.1088 7.1088 7.1139 7.1139 9.6867 9.6867 9.6963 9.6963 9.6984 9.6984 11.3159 11.3235 k = 0.4914 0.4914 0.4914 ( 3912 PWs) bands (ev): -32.6977 -32.6977 -32.6976 -32.6976 -32.6976 -32.6976 -14.8000 -14.8000 -14.0884 -14.0884 -14.0883 -14.0883 -13.8290 -13.8290 -13.6807 -13.6807 -13.5555 -13.5555 -13.5554 -13.5554 -13.4429 -13.4429 -13.4428 -13.4428 -9.3426 -9.3426 1.2283 1.2283 3.0119 3.0119 3.0336 3.0336 3.0338 3.0338 7.0284 7.0284 7.1141 7.1141 7.1154 7.1154 9.6797 9.6797 9.6899 9.6899 9.6904 9.6904 11.3202 11.3229 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -14.8006 -14.8006 -14.0884 -14.0884 -14.0884 -14.0884 -13.8291 -13.8291 -13.6805 -13.6805 -13.5553 -13.5553 -13.5553 -13.5553 -13.4427 -13.4427 -13.4427 -13.4427 -9.3418 -9.3418 1.2282 1.2282 3.0111 3.0111 3.0329 3.0329 3.0329 3.0329 7.0295 7.0295 7.1159 7.1159 7.1159 7.1159 9.6773 9.6773 9.6877 9.6877 9.6877 9.6877 11.3187 11.3216 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -14.8006 -14.8006 -14.0884 -14.0884 -14.0884 -14.0884 -13.8291 -13.8291 -13.6805 -13.6805 -13.5553 -13.5553 -13.5553 -13.5553 -13.4427 -13.4427 -13.4427 -13.4427 -9.3418 -9.3418 1.2282 1.2282 3.0111 3.0111 3.0329 3.0329 3.0329 3.0329 7.0295 7.0295 7.1159 7.1159 7.1159 7.1159 9.6773 9.6773 9.6877 9.6877 9.6877 9.6877 11.3209 11.3223 k = 0.4894 0.5000 0.4894 ( 3912 PWs) bands (ev): -32.6977 -32.6977 -32.6976 -32.6976 -32.6976 -32.6976 -14.8000 -14.8000 -14.0884 -14.0884 -14.0883 -14.0883 -13.8290 -13.8290 -13.6807 -13.6807 -13.5555 -13.5555 -13.5554 -13.5554 -13.4429 -13.4429 -13.4428 -13.4428 -9.3426 -9.3426 1.2283 1.2283 3.0119 3.0119 3.0334 3.0334 3.0340 3.0340 7.0284 7.0284 7.1139 7.1139 7.1155 7.1155 9.6797 9.6797 9.6898 9.6898 9.6906 9.6906 11.3183 11.3234 k = 0.4787 0.5000 0.4787 ( 3892 PWs) bands (ev): -32.6978 -32.6978 -32.6976 -32.6976 -32.6974 -32.6974 -14.7983 -14.7983 -14.0881 -14.0881 -14.0879 -14.0879 -13.8285 -13.8285 -13.6810 -13.6810 -13.5560 -13.5560 -13.5556 -13.5556 -13.4435 -13.4435 -13.4430 -13.4430 -9.3448 -9.3448 1.2284 1.2284 3.0143 3.0143 3.0351 3.0351 3.0375 3.0375 7.0248 7.0248 7.1081 7.1081 7.1146 7.1146 9.6865 9.6865 9.6962 9.6962 9.6991 9.6991 11.3187 11.3273 k = 0.4681 0.5000 0.4681 ( 3888 PWs) bands (ev): -32.6980 -32.6980 -32.6976 -32.6976 -32.6972 -32.6972 -14.7954 -14.7954 -14.0878 -14.0878 -14.0873 -14.0873 -13.8278 -13.8278 -13.6816 -13.6816 -13.5569 -13.5569 -13.5559 -13.5559 -13.4446 -13.4446 -13.4434 -13.4434 -9.3485 -9.3485 1.2286 1.2286 3.0179 3.0179 3.0384 3.0384 3.0433 3.0433 7.0184 7.0184 7.0985 7.0985 7.1134 7.1134 9.6967 9.6967 9.7074 9.7074 9.7134 9.7134 11.3140 11.3252 k = 0.4574 0.5000 0.4574 ( 3884 PWs) bands (ev): -32.6983 -32.6983 -32.6976 -32.6976 -32.6970 -32.6970 -14.7915 -14.7915 -14.0873 -14.0873 -14.0864 -14.0864 -13.8267 -13.8267 -13.6824 -13.6824 -13.5581 -13.5581 -13.5564 -13.5564 -13.4461 -13.4461 -13.4441 -13.4441 -9.3537 -9.3537 1.2288 1.2288 3.0220 3.0220 3.0438 3.0438 3.0515 3.0515 7.0089 7.0089 7.0856 7.0856 7.1127 7.1127 9.7097 9.7097 9.7237 9.7237 9.7334 9.7334 11.3059 11.3129 k = 0.4468 0.5000 0.4468 ( 3878 PWs) bands (ev): -32.6987 -32.6987 -32.6976 -32.6976 -32.6966 -32.6966 -14.7865 -14.7865 -14.0867 -14.0867 -14.0853 -14.0853 -13.8255 -13.8255 -13.6835 -13.6835 -13.5597 -13.5597 -13.5570 -13.5570 -13.4480 -13.4480 -13.4449 -13.4449 -9.3603 -9.3603 1.2290 1.2290 3.0260 3.0260 3.0519 3.0519 3.0620 3.0620 6.9958 6.9958 7.0697 7.0697 7.1128 7.1128 9.7254 9.7254 9.7446 9.7446 9.7588 9.7588 11.2966 11.3003 k = 0.4362 0.5000 0.4362 ( 3878 PWs) bands (ev): -32.6991 -32.6991 -32.6976 -32.6976 -32.6962 -32.6962 -14.7804 -14.7804 -14.0860 -14.0860 -14.0840 -14.0840 -13.8239 -13.8239 -13.6848 -13.6848 -13.5617 -13.5617 -13.5578 -13.5578 -13.4503 -13.4503 -13.4459 -13.4459 -9.3683 -9.3683 1.2291 1.2291 3.0299 3.0299 3.0627 3.0627 3.0748 3.0748 6.9789 6.9789 7.0515 7.0515 7.1141 7.1141 9.7443 9.7443 9.7696 9.7696 9.7889 9.7889 11.2884 11.2914 k = 0.4255 0.5000 0.4255 ( 3892 PWs) bands (ev): -32.6997 -32.6997 -32.6976 -32.6976 -32.6957 -32.6957 -14.7733 -14.7733 -14.0852 -14.0852 -14.0825 -14.0825 -13.8221 -13.8221 -13.6865 -13.6865 -13.5640 -13.5640 -13.5587 -13.5587 -13.4530 -13.4530 -13.4471 -13.4471 -9.3777 -9.3777 1.2292 1.2292 3.0337 3.0337 3.0761 3.0761 3.0900 3.0900 6.9583 6.9583 7.0316 7.0316 7.1166 7.1166 9.7662 9.7662 9.7982 9.7982 9.8231 9.8231 11.2760 11.2823 k = 0.4149 0.5000 0.4149 ( 3892 PWs) bands (ev): -32.7003 -32.7003 -32.6977 -32.6977 -32.6952 -32.6952 -14.7650 -14.7650 -14.0843 -14.0843 -14.0807 -14.0807 -13.8200 -13.8200 -13.6884 -13.6884 -13.5667 -13.5667 -13.5597 -13.5597 -13.4560 -13.4560 -13.4484 -13.4484 -9.3885 -9.3885 1.2290 1.2290 3.0378 3.0378 3.0917 3.0917 3.1074 3.1074 6.9339 6.9339 7.0109 7.0109 7.1203 7.1203 9.7912 9.7912 9.8300 9.8300 9.8609 9.8609 11.2625 11.2675 k = 0.4043 0.5000 0.4043 ( 3888 PWs) bands (ev): -32.7010 -32.7010 -32.6977 -32.6977 -32.6945 -32.6945 -14.7558 -14.7558 -14.0832 -14.0832 -14.0788 -14.0788 -13.8176 -13.8176 -13.6905 -13.6905 -13.5697 -13.5697 -13.5609 -13.5609 -13.4592 -13.4592 -13.4498 -13.4498 -9.4005 -9.4005 1.2286 1.2286 3.0422 3.0422 3.1095 3.1095 3.1271 3.1271 6.9059 6.9059 6.9901 6.9901 7.1252 7.1252 9.8194 9.8194 9.8645 9.8645 9.9016 9.9016 11.2483 11.2510 k = 0.3936 0.5000 0.3936 ( 3886 PWs) bands (ev): -32.7017 -32.7017 -32.6977 -32.6977 -32.6938 -32.6938 -14.7456 -14.7456 -14.0821 -14.0821 -14.0766 -14.0766 -13.8150 -13.8150 -13.6930 -13.6930 -13.5729 -13.5729 -13.5622 -13.5622 -13.4626 -13.4626 -13.4515 -13.4515 -9.4138 -9.4138 1.2279 1.2279 3.0471 3.0471 3.1292 3.1292 3.1490 3.1490 6.8744 6.8744 6.9698 6.9698 7.1312 7.1312 9.8506 9.8506 9.9010 9.9010 9.9447 9.9447 11.2296 11.2341 k = 0.3830 0.5000 0.3830 ( 3874 PWs) bands (ev): -32.7026 -32.7026 -32.6977 -32.6977 -32.6931 -32.6931 -14.7344 -14.7344 -14.0808 -14.0808 -14.0743 -14.0743 -13.8121 -13.8121 -13.6957 -13.6957 -13.5765 -13.5765 -13.5636 -13.5636 -13.4662 -13.4662 -13.4532 -13.4532 -9.4283 -9.4283 1.2268 1.2268 3.0526 3.0526 3.1507 3.1507 3.1730 3.1730 6.8399 6.8399 6.9506 6.9506 7.1382 7.1382 9.8848 9.8848 9.9390 9.9390 9.9896 9.9896 11.2115 11.2163 k = 0.3723 0.5000 0.3723 ( 3872 PWs) bands (ev): -32.7035 -32.7035 -32.6977 -32.6977 -32.6923 -32.6923 -14.7222 -14.7222 -14.0796 -14.0796 -14.0718 -14.0718 -13.8089 -13.8089 -13.6988 -13.6988 -13.5804 -13.5804 -13.5652 -13.5652 -13.4699 -13.4699 -13.4552 -13.4552 -9.4440 -9.4440 1.2253 1.2253 3.0587 3.0587 3.1739 3.1739 3.1990 3.1990 6.8025 6.8025 6.9329 6.9329 7.1462 7.1462 9.9218 9.9218 9.9779 9.9779 10.0358 10.0358 11.1856 11.1965 k = 0.3617 0.5000 0.3617 ( 3876 PWs) bands (ev): -32.7044 -32.7044 -32.6977 -32.6977 -32.6914 -32.6914 -14.7092 -14.7092 -14.0782 -14.0782 -14.0692 -14.0692 -13.8055 -13.8055 -13.7022 -13.7022 -13.5845 -13.5845 -13.5669 -13.5669 -13.4738 -13.4738 -13.4572 -13.4572 -9.4607 -9.4607 1.2232 1.2232 3.0654 3.0654 3.1989 3.1989 3.2268 3.2268 6.7629 6.7629 6.9169 6.9169 7.1551 7.1551 9.9617 9.9617 10.0171 10.0171 10.0829 10.0829 11.1582 11.1786 k = 0.3511 0.5000 0.3511 ( 3872 PWs) bands (ev): -32.7055 -32.7055 -32.6978 -32.6978 -32.6905 -32.6905 -14.6953 -14.6953 -14.0768 -14.0768 -14.0665 -14.0665 -13.8019 -13.8019 -13.7058 -13.7058 -13.5888 -13.5888 -13.5687 -13.5687 -13.4778 -13.4778 -13.4593 -13.4593 -9.4785 -9.4785 1.2204 1.2204 3.0729 3.0729 3.2254 3.2254 3.2564 3.2564 6.7212 6.7212 6.9032 6.9032 7.1651 7.1651 10.0042 10.0042 10.0557 10.0557 10.1304 10.1304 11.1264 11.1288 k = 0.3404 0.5000 0.3404 ( 3876 PWs) bands (ev): -32.7065 -32.7065 -32.6978 -32.6978 -32.6895 -32.6895 -14.6806 -14.6806 -14.0754 -14.0754 -14.0637 -14.0637 -13.7981 -13.7981 -13.7099 -13.7099 -13.5933 -13.5933 -13.5706 -13.5706 -13.4819 -13.4819 -13.4616 -13.4616 -9.4972 -9.4972 1.2171 1.2171 3.0811 3.0811 3.2534 3.2534 3.2877 3.2877 6.6778 6.6778 6.8918 6.8918 7.1759 7.1759 10.0494 10.0494 10.0932 10.0932 10.1780 10.1780 11.0919 11.0974 k = 0.3298 0.5000 0.3298 ( 3874 PWs) bands (ev): -32.7076 -32.7076 -32.6978 -32.6978 -32.6885 -32.6885 -14.6651 -14.6651 -14.0741 -14.0741 -14.0607 -14.0607 -13.7941 -13.7941 -13.7143 -13.7143 -13.5979 -13.5979 -13.5726 -13.5726 -13.4859 -13.4859 -13.4639 -13.4639 -9.5167 -9.5167 1.2130 1.2130 3.0900 3.0900 3.2829 3.2829 3.3204 3.3204 6.6330 6.6330 6.8831 6.8831 7.1877 7.1877 10.0968 10.0968 10.1288 10.1288 10.2254 10.2254 11.0544 11.0547 k = 0.3191 0.5000 0.3191 ( 3886 PWs) bands (ev): -32.7088 -32.7088 -32.6978 -32.6978 -32.6874 -32.6874 -14.6490 -14.6490 -14.0727 -14.0727 -14.0578 -14.0578 -13.7900 -13.7900 -13.7190 -13.7190 -13.6027 -13.6027 -13.5748 -13.5748 -13.4901 -13.4901 -13.4663 -13.4663 -9.5371 -9.5371 1.2081 1.2081 3.0997 3.0997 3.3137 3.3137 3.3545 3.3545 6.5870 6.5870 6.8773 6.8773 7.2003 7.2003 10.1461 10.1461 10.1622 10.1622 10.2724 10.2724 11.0141 11.0143 k = 0.3085 0.5000 0.3085 ( 3886 PWs) bands (ev): -32.7100 -32.7100 -32.6979 -32.6979 -32.6864 -32.6864 -14.6321 -14.6321 -14.0714 -14.0714 -14.0546 -14.0546 -13.7856 -13.7856 -13.7240 -13.7240 -13.6075 -13.6075 -13.5771 -13.5771 -13.4942 -13.4942 -13.4688 -13.4688 -9.5581 -9.5581 1.2024 1.2024 3.1102 3.1102 3.3457 3.3457 3.3899 3.3899 6.5401 6.5401 6.8746 6.8746 7.2139 7.2139 10.1882 10.1882 10.2014 10.2014 10.3188 10.3188 10.9711 10.9711 k = 0.2979 0.5000 0.2979 ( 3880 PWs) bands (ev): -32.7112 -32.7112 -32.6979 -32.6979 -32.6853 -32.6853 -14.6146 -14.6146 -14.0701 -14.0701 -14.0514 -14.0514 -13.7811 -13.7811 -13.7292 -13.7292 -13.6123 -13.6123 -13.5794 -13.5794 -13.4983 -13.4983 -13.4712 -13.4712 -9.5798 -9.5798 1.1959 1.1959 3.1214 3.1214 3.3789 3.3789 3.4263 3.4263 6.4925 6.4925 6.8751 6.8751 7.2284 7.2284 10.2143 10.2143 10.2546 10.2546 10.3645 10.3645 10.9254 10.9254 k = 0.2872 0.5000 0.2872 ( 3884 PWs) bands (ev): -32.7124 -32.7124 -32.6979 -32.6979 -32.6841 -32.6841 -14.5965 -14.5965 -14.0690 -14.0690 -14.0482 -14.0482 -13.7765 -13.7765 -13.7348 -13.7348 -13.6172 -13.6172 -13.5818 -13.5818 -13.5024 -13.5024 -13.4737 -13.4737 -9.6020 -9.6020 1.1886 1.1886 3.1334 3.1334 3.4132 3.4132 3.4637 3.4637 6.4443 6.4443 6.8791 6.8791 7.2437 7.2437 10.2344 10.2344 10.3106 10.3106 10.4094 10.4094 10.8773 10.8773 k = 0.2766 0.5000 0.2766 ( 3876 PWs) bands (ev): -32.7137 -32.7137 -32.6979 -32.6979 -32.6830 -32.6830 -14.5779 -14.5779 -14.0680 -14.0680 -14.0448 -14.0448 -13.7718 -13.7718 -13.7405 -13.7405 -13.6221 -13.6221 -13.5842 -13.5842 -13.5065 -13.5065 -13.4761 -13.4761 -9.6246 -9.6246 1.1805 1.1805 3.1460 3.1460 3.4483 3.4483 3.5018 3.5018 6.3956 6.3956 6.8865 6.8865 7.2599 7.2599 10.2490 10.2490 10.3686 10.3686 10.4536 10.4536 10.8270 10.8271 k = 0.2660 0.5000 0.2660 ( 3868 PWs) bands (ev): -32.7150 -32.7150 -32.6979 -32.6979 -32.6818 -32.6818 -14.5588 -14.5588 -14.0672 -14.0672 -14.0413 -14.0413 -13.7671 -13.7671 -13.7462 -13.7462 -13.6269 -13.6269 -13.5866 -13.5866 -13.5106 -13.5106 -13.4784 -13.4784 -9.6476 -9.6476 1.1717 1.1717 3.1592 3.1592 3.4843 3.4843 3.5406 3.5406 6.3468 6.3468 6.8974 6.8974 7.2770 7.2770 10.2578 10.2578 10.4283 10.4283 10.4968 10.4968 10.7749 10.7749 k = 0.2553 0.5000 0.2553 ( 3872 PWs) bands (ev): -32.7162 -32.7162 -32.6980 -32.6980 -32.6806 -32.6806 -14.5394 -14.5394 -14.0666 -14.0666 -14.0379 -14.0379 -13.7629 -13.7629 -13.7516 -13.7516 -13.6318 -13.6318 -13.5891 -13.5891 -13.5148 -13.5148 -13.4808 -13.4808 -9.6708 -9.6708 1.1621 1.1621 3.1730 3.1730 3.5211 3.5211 3.5797 3.5797 6.2978 6.2978 6.9120 6.9120 7.2949 7.2949 10.2607 10.2607 10.4895 10.4895 10.5392 10.5392 10.7210 10.7210 k = 0.2447 0.5000 0.2447 ( 3872 PWs) bands (ev): -32.7175 -32.7175 -32.6980 -32.6980 -32.6795 -32.6795 -14.5197 -14.5197 -14.0662 -14.0662 -14.0344 -14.0344 -13.7620 -13.7620 -13.7537 -13.7537 -13.6368 -13.6368 -13.5916 -13.5916 -13.5189 -13.5189 -13.4830 -13.4830 -9.6942 -9.6942 1.1518 1.1518 3.1874 3.1874 3.5584 3.5584 3.6192 3.6192 6.2489 6.2489 6.9301 6.9301 7.3135 7.3135 10.2579 10.2579 10.5520 10.5520 10.5809 10.5809 10.6658 10.6659 k = 0.2340 0.5000 0.2340 ( 3868 PWs) bands (ev): -32.7188 -32.7188 -32.6980 -32.6980 -32.6783 -32.6783 -14.4997 -14.4997 -14.0661 -14.0661 -14.0308 -14.0308 -13.7665 -13.7665 -13.7504 -13.7504 -13.6417 -13.6417 -13.5940 -13.5940 -13.5231 -13.5231 -13.4851 -13.4851 -9.7176 -9.7176 1.1409 1.1409 3.2021 3.2021 3.5962 3.5962 3.6587 3.6587 6.2001 6.2001 6.9517 6.9517 7.3330 7.3330 10.2498 10.2498 10.6089 10.6089 10.6148 10.6148 10.6235 10.6235 k = 0.2234 0.5000 0.2234 ( 3876 PWs) bands (ev): -32.7201 -32.7201 -32.6981 -32.6981 -32.6771 -32.6771 -14.4795 -14.4795 -14.0663 -14.0663 -14.0273 -14.0273 -13.7722 -13.7722 -13.7458 -13.7458 -13.6467 -13.6467 -13.5964 -13.5964 -13.5273 -13.5273 -13.4871 -13.4871 -9.7409 -9.7409 1.1295 1.1295 3.2172 3.2172 3.6344 3.6344 3.6982 3.6982 6.1516 6.1516 6.9768 6.9768 7.3531 7.3531 10.2368 10.2368 10.5525 10.5525 10.6609 10.6609 10.6818 10.6818 k = 0.2128 0.5000 0.2128 ( 3876 PWs) bands (ev): -32.7214 -32.7214 -32.6981 -32.6981 -32.6760 -32.6760 -14.4592 -14.4592 -14.0668 -14.0668 -14.0236 -14.0236 -13.7780 -13.7780 -13.7411 -13.7411 -13.6518 -13.6518 -13.5986 -13.5986 -13.5315 -13.5315 -13.4889 -13.4889 -9.7641 -9.7641 1.1176 1.1176 3.2325 3.2325 3.6728 3.6728 3.7374 3.7374 6.1036 6.1036 7.0052 7.0052 7.3739 7.3739 10.2195 10.2195 10.4951 10.4951 10.7007 10.7007 10.7473 10.7473 k = 0.2021 0.5000 0.2021 ( 3876 PWs) bands (ev): -32.7226 -32.7226 -32.6981 -32.6981 -32.6748 -32.6748 -14.4388 -14.4388 -14.0677 -14.0677 -14.0199 -14.0199 -13.7837 -13.7837 -13.7363 -13.7363 -13.6569 -13.6569 -13.6008 -13.6008 -13.5357 -13.5357 -13.4905 -13.4905 -9.7870 -9.7870 1.1055 1.1055 3.2479 3.2479 3.7113 3.7113 3.7762 3.7762 6.0561 6.0561 7.0368 7.0368 7.3952 7.3952 10.1987 10.1987 10.4376 10.4376 10.7398 10.7398 10.8138 10.8138 k = 0.1915 0.5000 0.1915 ( 3880 PWs) bands (ev): -32.7238 -32.7238 -32.6981 -32.6981 -32.6737 -32.6737 -14.4186 -14.4186 -14.0689 -14.0689 -14.0162 -14.0162 -13.7892 -13.7892 -13.7318 -13.7318 -13.6621 -13.6621 -13.6028 -13.6028 -13.5400 -13.5400 -13.4919 -13.4919 -9.8096 -9.8096 1.0930 1.0930 3.2633 3.2633 3.7498 3.7498 3.8144 3.8144 6.0093 6.0093 7.0713 7.0713 7.4171 7.4171 10.1750 10.1750 10.3802 10.3802 10.7784 10.7784 10.8809 10.8809 k = 0.1809 0.5000 0.1809 ( 3874 PWs) bands (ev): -32.7250 -32.7250 -32.6982 -32.6982 -32.6726 -32.6726 -14.3984 -14.3984 -14.0704 -14.0704 -14.0124 -14.0124 -13.7945 -13.7945 -13.7274 -13.7274 -13.6673 -13.6673 -13.6046 -13.6046 -13.5443 -13.5443 -13.4931 -13.4931 -9.8316 -9.8316 1.0805 1.0805 3.2787 3.2787 3.7881 3.7881 3.8518 3.8518 5.9634 5.9634 7.1086 7.1086 7.4394 7.4394 10.1491 10.1491 10.3232 10.3232 10.8167 10.8167 10.9486 10.9486 k = 0.1702 0.5000 0.1702 ( 3898 PWs) bands (ev): -32.7262 -32.7262 -32.6982 -32.6982 -32.6716 -32.6716 -14.3785 -14.3785 -14.0723 -14.0723 -14.0086 -14.0086 -13.7994 -13.7994 -13.7235 -13.7235 -13.6724 -13.6724 -13.6064 -13.6064 -13.5487 -13.5487 -13.4941 -13.4941 -9.8532 -9.8532 1.0679 1.0679 3.2938 3.2938 3.8260 3.8260 3.8883 3.8883 5.9183 5.9183 7.1484 7.1484 7.4620 7.4620 10.1216 10.1216 10.2669 10.2669 10.8547 10.8547 11.0164 11.0164 k = 0.1596 0.5000 0.1596 ( 3890 PWs) bands (ev): -32.7273 -32.7273 -32.6982 -32.6982 -32.6706 -32.6706 -14.3588 -14.3588 -14.0745 -14.0745 -14.0048 -14.0048 -13.8039 -13.8039 -13.7202 -13.7202 -13.6771 -13.6771 -13.6080 -13.6080 -13.5530 -13.5530 -13.4948 -13.4948 -9.8740 -9.8740 1.0554 1.0554 3.3086 3.3086 3.8634 3.8634 3.9236 3.9236 5.8744 5.8744 7.1902 7.1902 7.4849 7.4849 10.0931 10.0931 10.2118 10.2118 10.8926 10.8926 11.0834 11.0846 k = 0.1489 0.5000 0.1489 ( 3886 PWs) bands (ev): -32.7283 -32.7283 -32.6982 -32.6982 -32.6696 -32.6696 -14.3394 -14.3394 -14.0770 -14.0770 -14.0009 -14.0009 -13.8080 -13.8080 -13.7180 -13.7180 -13.6810 -13.6810 -13.6095 -13.6095 -13.5573 -13.5573 -13.4953 -13.4953 -9.8940 -9.8940 1.0432 1.0432 3.3230 3.3230 3.9002 3.9002 3.9576 3.9576 5.8318 5.8318 7.2338 7.2338 7.5079 7.5079 10.0641 10.0641 10.1580 10.1580 10.9302 10.9302 11.0700 11.0700 k = 0.1383 0.5000 0.1383 ( 3894 PWs) bands (ev): -32.7293 -32.7293 -32.6983 -32.6983 -32.6687 -32.6687 -14.3206 -14.3206 -14.0799 -14.0799 -13.9971 -13.9971 -13.8117 -13.8117 -13.7175 -13.7175 -13.6836 -13.6836 -13.6108 -13.6108 -13.5617 -13.5617 -13.4955 -13.4955 -9.9132 -9.9132 1.0312 1.0312 3.3369 3.3369 3.9360 3.9360 3.9901 3.9901 5.7905 5.7905 7.2787 7.2787 7.5308 7.5308 10.0352 10.0352 10.1058 10.1058 10.9677 10.9677 11.0713 11.0713 k = 0.1277 0.5000 0.1277 ( 3896 PWs) bands (ev): -32.7303 -32.7303 -32.6983 -32.6983 -32.6678 -32.6678 -14.3022 -14.3022 -14.0830 -14.0830 -13.9933 -13.9933 -13.8149 -13.8149 -13.7191 -13.7191 -13.6843 -13.6843 -13.6121 -13.6121 -13.5660 -13.5660 -13.4956 -13.4956 -9.9313 -9.9313 1.0197 1.0197 3.3502 3.3502 3.9708 3.9708 4.0210 4.0210 5.7508 5.7508 7.3243 7.3243 7.5535 7.5535 10.0067 10.0067 10.0556 10.0556 11.0049 11.0049 11.0727 11.0727 k = 0.1170 0.5000 0.1170 ( 3892 PWs) bands (ev): -32.7312 -32.7312 -32.6983 -32.6983 -32.6670 -32.6670 -14.2845 -14.2845 -14.0864 -14.0864 -13.9895 -13.9895 -13.8176 -13.8176 -13.7227 -13.7227 -13.6831 -13.6831 -13.6133 -13.6133 -13.5703 -13.5703 -13.4955 -13.4955 -9.9484 -9.9484 1.0087 1.0087 3.3628 3.3628 4.0043 4.0043 4.0500 4.0500 5.7129 5.7129 7.3700 7.3700 7.5759 7.5759 9.9792 9.9792 10.0077 10.0077 11.0409 11.0409 11.0745 11.0745 k = 0.1064 0.5000 0.1064 ( 3900 PWs) bands (ev): -32.7320 -32.7320 -32.6983 -32.6983 -32.6662 -32.6662 -14.2675 -14.2675 -14.0901 -14.0901 -13.9858 -13.9858 -13.8198 -13.8198 -13.7278 -13.7278 -13.6808 -13.6808 -13.6145 -13.6145 -13.5745 -13.5745 -13.4953 -13.4953 -9.9644 -9.9644 0.9983 0.9983 3.3745 3.3745 4.0363 4.0363 4.0772 4.0772 5.6771 5.6771 7.4153 7.4153 7.5979 7.5979 9.9528 9.9528 9.9626 9.9626 11.0698 11.0698 11.0788 11.0789 k = 0.0957 0.5000 0.0957 ( 3896 PWs) bands (ev): -32.7327 -32.7327 -32.6983 -32.6983 -32.6655 -32.6655 -14.2512 -14.2512 -14.0939 -14.0939 -13.9822 -13.9822 -13.8215 -13.8215 -13.7338 -13.7338 -13.6776 -13.6776 -13.6157 -13.6157 -13.5785 -13.5785 -13.4949 -13.4949 -9.9791 -9.9791 0.9886 0.9886 3.3854 3.3854 4.0665 4.0665 4.1022 4.1022 5.6434 5.6434 7.4592 7.4592 7.6192 7.6192 9.9198 9.9198 9.9287 9.9287 11.0711 11.0711 11.0773 11.0773 k = 0.0851 0.5000 0.0851 ( 3888 PWs) bands (ev): -32.7334 -32.7334 -32.6983 -32.6983 -32.6649 -32.6649 -14.2357 -14.2357 -14.0980 -14.0980 -13.9787 -13.9787 -13.8226 -13.8226 -13.7402 -13.7402 -13.6740 -13.6740 -13.6170 -13.6170 -13.5823 -13.5823 -13.4945 -13.4945 -9.9925 -9.9925 0.9797 0.9797 3.3953 3.3953 4.0946 4.0946 4.1250 4.1250 5.6122 5.6122 7.5010 7.5010 7.6398 7.6398 9.8809 9.8809 9.9058 9.9058 11.0307 11.0307 11.0784 11.0784 k = 0.0745 0.5000 0.0745 ( 3888 PWs) bands (ev): -32.7340 -32.7340 -32.6984 -32.6984 -32.6643 -32.6643 -14.2212 -14.2212 -14.1024 -14.1024 -13.9754 -13.9754 -13.8232 -13.8232 -13.7469 -13.7469 -13.6703 -13.6703 -13.6183 -13.6183 -13.5859 -13.5859 -13.4940 -13.4940 -10.0045 -10.0045 0.9717 0.9717 3.4042 3.4042 4.1204 4.1204 4.1455 4.1455 5.5837 5.5837 7.5398 7.5398 7.6596 7.6596 9.8455 9.8455 9.8851 9.8851 10.9859 10.9859 11.0801 11.0801 k = 0.0638 0.5000 0.0638 ( 3888 PWs) bands (ev): -32.7346 -32.7346 -32.6984 -32.6984 -32.6638 -32.6638 -14.2076 -14.2076 -14.1070 -14.1070 -13.9724 -13.9724 -13.8233 -13.8233 -13.7536 -13.7536 -13.6664 -13.6664 -13.6199 -13.6199 -13.5891 -13.5891 -13.4935 -13.4935 -10.0150 -10.0150 0.9646 0.9646 3.4121 3.4121 4.1435 4.1435 4.1635 4.1635 5.5583 5.5583 7.5746 7.5746 7.6786 7.6786 9.8140 9.8140 9.8668 9.8668 10.9435 10.9435 11.0816 11.0816 k = 0.0532 0.5000 0.0532 ( 3888 PWs) bands (ev): -32.7350 -32.7350 -32.6984 -32.6984 -32.6634 -32.6634 -14.1950 -14.1950 -14.1119 -14.1119 -13.9697 -13.9697 -13.8228 -13.8228 -13.7601 -13.7601 -13.6626 -13.6626 -13.6217 -13.6217 -13.5920 -13.5920 -13.4930 -13.4930 -10.0240 -10.0240 0.9585 0.9585 3.4188 3.4188 4.1636 4.1636 4.1791 4.1791 5.5361 5.5361 7.6044 7.6044 7.6964 7.6964 9.7867 9.7867 9.8510 9.8510 10.9054 10.9054 11.0831 11.0831 k = 0.0426 0.5000 0.0426 ( 3892 PWs) bands (ev): -32.7354 -32.7354 -32.6984 -32.6984 -32.6630 -32.6630 -14.1835 -14.1835 -14.1170 -14.1170 -13.9674 -13.9674 -13.8219 -13.8219 -13.7661 -13.7661 -13.6589 -13.6589 -13.6237 -13.6237 -13.5944 -13.5944 -13.4926 -13.4926 -10.0315 -10.0315 0.9534 0.9534 3.4244 3.4244 4.1803 4.1803 4.1922 4.1922 5.5175 5.5175 7.6287 7.6287 7.7129 7.7129 9.7640 9.7640 9.8379 9.8379 10.8726 10.8726 11.0843 11.0843 k = 0.0319 0.5000 0.0319 ( 3892 PWs) bands (ev): -32.7357 -32.7357 -32.6984 -32.6984 -32.6627 -32.6627 -14.1730 -14.1730 -14.1224 -14.1224 -13.9656 -13.9656 -13.8206 -13.8206 -13.7715 -13.7715 -13.6554 -13.6554 -13.6257 -13.6257 -13.5962 -13.5962 -13.4922 -13.4922 -10.0373 -10.0373 0.9494 0.9494 3.4287 3.4287 4.1934 4.1934 4.2027 4.2027 5.5027 5.5027 7.6471 7.6471 7.7273 7.7273 9.7460 9.7460 9.8276 9.8276 10.8460 10.8460 11.0853 11.0853 k = 0.0213 0.5000 0.0213 ( 3888 PWs) bands (ev): -32.7360 -32.7360 -32.6984 -32.6984 -32.6625 -32.6625 -14.1637 -14.1637 -14.1280 -14.1280 -13.9642 -13.9642 -13.8193 -13.8193 -13.7758 -13.7758 -13.6523 -13.6523 -13.6278 -13.6278 -13.5975 -13.5975 -13.4920 -13.4920 -10.0415 -10.0415 0.9466 0.9466 3.4319 3.4319 4.2025 4.2025 4.2107 4.2107 5.4919 5.4919 7.6599 7.6599 7.7386 7.7386 9.7330 9.7330 9.8201 9.8201 10.8264 10.8264 11.0861 11.0861 k = 0.0106 0.5000 0.0106 ( 3876 PWs) bands (ev): -32.7361 -32.7361 -32.6984 -32.6984 -32.6624 -32.6624 -14.1562 -14.1562 -14.1332 -14.1332 -13.9633 -13.9633 -13.8182 -13.8182 -13.7787 -13.7787 -13.6501 -13.6501 -13.6294 -13.6294 -13.5983 -13.5983 -13.4918 -13.4918 -10.0441 -10.0441 0.9448 0.9448 3.4337 3.4337 4.2078 4.2078 4.2157 4.2157 5.4854 5.4854 7.6674 7.6674 7.7459 7.7459 9.7252 9.7252 9.8156 9.8156 10.8145 10.8145 11.0866 11.0866 k = 0.0000 0.5000-0.0000 ( 3868 PWs) bands (ev): -32.7361 -32.7361 -32.6984 -32.6984 -32.6624 -32.6624 -14.1527 -14.1527 -14.1359 -14.1359 -13.9630 -13.9630 -13.8178 -13.8178 -13.7797 -13.7797 -13.6492 -13.6492 -13.6300 -13.6300 -13.5986 -13.5986 -13.4917 -13.4917 -10.0449 -10.0449 0.9442 0.9442 3.4344 3.4344 4.2096 4.2096 4.2174 4.2174 5.4832 5.4832 7.6698 7.6698 7.7484 7.7484 9.7225 9.7225 9.8141 9.8141 10.8104 10.8104 11.0867 11.0867 k = 0.5000 0.5000-0.0000 ( 3900 PWs) bands (ev): -32.6991 -32.6991 -32.6980 -32.6980 -32.6980 -32.6980 -14.4791 -14.4791 -14.0695 -14.0695 -14.0304 -14.0304 -13.7853 -13.7853 -13.7105 -13.7105 -13.6703 -13.6703 -13.6422 -13.6422 -13.5056 -13.5056 -13.4944 -13.4944 -9.6663 -9.6663 1.2463 1.2463 3.1087 3.1087 3.1245 3.1245 4.0749 4.0749 6.3759 6.3759 6.4199 6.4199 7.5641 7.5641 10.3561 10.3561 10.6973 10.6973 10.7012 10.7012 10.9344 10.9344 k = 0.5000 0.5000 0.0147 ( 3900 PWs) bands (ev): -32.6991 -32.6991 -32.6980 -32.6980 -32.6980 -32.6980 -14.4801 -14.4801 -14.0696 -14.0696 -14.0304 -14.0304 -13.7849 -13.7849 -13.7112 -13.7112 -13.6700 -13.6700 -13.6415 -13.6415 -13.5056 -13.5056 -13.4943 -13.4943 -9.6656 -9.6656 1.2462 1.2462 3.1085 3.1085 3.1243 3.1243 4.0723 4.0723 6.3770 6.3770 6.4210 6.4210 7.5629 7.5629 10.3539 10.3539 10.6953 10.6953 10.6992 10.6992 10.9358 10.9358 k = 0.5000 0.5000 0.0294 ( 3908 PWs) bands (ev): -32.6991 -32.6991 -32.6980 -32.6980 -32.6980 -32.6980 -14.4829 -14.4829 -14.0697 -14.0697 -14.0306 -14.0306 -13.7838 -13.7838 -13.7134 -13.7134 -13.6692 -13.6692 -13.6395 -13.6395 -13.5053 -13.5053 -13.4941 -13.4941 -9.6636 -9.6636 1.2461 1.2461 3.1080 3.1080 3.1237 3.1237 4.0648 4.0648 6.3802 6.3802 6.4243 6.4243 7.5592 7.5592 10.3475 10.3475 10.6894 10.6894 10.6934 10.6934 10.9399 10.9405 k = 0.5000 0.5000 0.0441 ( 3900 PWs) bands (ev): -32.6991 -32.6991 -32.6980 -32.6980 -32.6980 -32.6980 -14.4876 -14.4876 -14.0698 -14.0698 -14.0307 -14.0307 -13.7818 -13.7818 -13.7167 -13.7167 -13.6677 -13.6677 -13.6364 -13.6364 -13.5048 -13.5048 -13.4937 -13.4937 -9.6603 -9.6603 1.2459 1.2459 3.1070 3.1070 3.1228 3.1228 4.0523 4.0523 6.3856 6.3856 6.4298 6.4298 7.5532 7.5532 10.3370 10.3370 10.6798 10.6798 10.6839 10.6839 10.9464 10.9490 k = 0.5000 0.5000 0.0588 ( 3892 PWs) bands (ev): -32.6990 -32.6990 -32.6980 -32.6980 -32.6980 -32.6980 -14.4940 -14.4940 -14.0700 -14.0700 -14.0311 -14.0311 -13.7791 -13.7791 -13.7208 -13.7208 -13.6657 -13.6657 -13.6324 -13.6324 -13.5041 -13.5041 -13.4932 -13.4932 -9.6556 -9.6556 1.2457 1.2457 3.1057 3.1057 3.1215 3.1215 4.0351 4.0351 6.3931 6.3931 6.4374 6.4374 7.5449 7.5449 10.3228 10.3228 10.6668 10.6668 10.6710 10.6710 10.9550 10.9551 k = 0.5000 0.5000 0.0735 ( 3884 PWs) bands (ev): -32.6990 -32.6990 -32.6980 -32.6980 -32.6980 -32.6980 -14.5019 -14.5019 -14.0703 -14.0703 -14.0316 -14.0316 -13.7758 -13.7758 -13.7256 -13.7256 -13.6631 -13.6631 -13.6280 -13.6280 -13.5033 -13.5033 -13.4925 -13.4925 -9.6497 -9.6497 1.2453 1.2453 3.1041 3.1041 3.1198 3.1198 4.0133 4.0133 6.4027 6.4027 6.4472 6.4472 7.5345 7.5345 10.3050 10.3050 10.6506 10.6506 10.6550 10.6550 10.9653 10.9655 k = 0.5000 0.5000 0.0882 ( 3880 PWs) bands (ev): -32.6990 -32.6990 -32.6980 -32.6980 -32.6980 -32.6980 -14.5114 -14.5114 -14.0707 -14.0707 -14.0323 -14.0323 -13.7718 -13.7718 -13.7308 -13.7308 -13.6601 -13.6601 -13.6232 -13.6232 -13.5022 -13.5022 -13.4916 -13.4916 -9.6426 -9.6426 1.2450 1.2450 3.1020 3.1020 3.1178 3.1178 3.9873 3.9873 6.4144 6.4144 6.4592 6.4592 7.5220 7.5220 10.2842 10.2842 10.6316 10.6316 10.6360 10.6360 10.9789 10.9848 k = 0.5000 0.5000 0.1029 ( 3896 PWs) bands (ev): -32.6989 -32.6989 -32.6980 -32.6980 -32.6980 -32.6980 -14.5221 -14.5221 -14.0711 -14.0711 -14.0333 -14.0333 -13.7675 -13.7675 -13.7363 -13.7363 -13.6566 -13.6566 -13.6183 -13.6183 -13.5010 -13.5010 -13.4906 -13.4906 -9.6343 -9.6343 1.2445 1.2445 3.0997 3.0997 3.1154 3.1154 3.9572 3.9572 6.4282 6.4282 6.4732 6.4732 7.5076 7.5076 10.2607 10.2607 10.6097 10.6097 10.6142 10.6142 10.9928 10.9958 k = 0.5000 0.5000 0.1176 ( 3888 PWs) bands (ev): -32.6989 -32.6989 -32.6979 -32.6979 -32.6979 -32.6979 -14.5339 -14.5339 -14.0716 -14.0716 -14.0345 -14.0345 -13.7627 -13.7627 -13.7420 -13.7420 -13.6526 -13.6526 -13.6133 -13.6133 -13.4996 -13.4996 -13.4894 -13.4894 -9.6249 -9.6249 1.2440 1.2440 3.0971 3.0971 3.1127 3.1127 3.9234 3.9234 6.4439 6.4439 6.4892 6.4892 7.4916 7.4916 10.2349 10.2349 10.5853 10.5853 10.5898 10.5898 11.0044 11.0108 k = 0.5000 0.5000 0.1324 ( 3884 PWs) bands (ev): -32.6988 -32.6988 -32.6979 -32.6979 -32.6979 -32.6979 -14.5466 -14.5466 -14.0721 -14.0721 -14.0361 -14.0361 -13.7575 -13.7575 -13.7477 -13.7477 -13.6483 -13.6483 -13.6084 -13.6084 -13.4980 -13.4980 -13.4880 -13.4880 -9.6145 -9.6145 1.2434 1.2434 3.0941 3.0941 3.1097 3.1097 3.8864 3.8864 6.4616 6.4616 6.5072 6.5072 7.4740 7.4740 10.2074 10.2074 10.5583 10.5583 10.5628 10.5628 11.0186 11.0232 k = 0.5000 0.5000 0.1471 ( 3884 PWs) bands (ev): -32.6988 -32.6988 -32.6979 -32.6979 -32.6979 -32.6979 -14.5601 -14.5601 -14.0727 -14.0727 -14.0378 -14.0378 -13.7534 -13.7534 -13.7522 -13.7522 -13.6436 -13.6436 -13.6036 -13.6036 -13.4962 -13.4962 -13.4865 -13.4865 -9.6032 -9.6032 1.2428 1.2428 3.0909 3.0909 3.1065 3.1065 3.8465 3.8465 6.4811 6.4811 6.5272 6.5272 7.4553 7.4553 10.1784 10.1784 10.5288 10.5288 10.5332 10.5332 11.0342 11.0392 k = 0.5000 0.5000 0.1618 ( 3876 PWs) bands (ev): -32.6987 -32.6987 -32.6979 -32.6979 -32.6979 -32.6979 -14.5740 -14.5740 -14.0734 -14.0734 -14.0399 -14.0399 -13.7590 -13.7590 -13.7468 -13.7468 -13.6386 -13.6386 -13.5989 -13.5989 -13.4942 -13.4942 -13.4848 -13.4848 -9.5910 -9.5910 1.2421 1.2421 3.0875 3.0875 3.1031 3.1031 3.8041 3.8041 6.5024 6.5024 6.5489 6.5489 7.4354 7.4354 10.1483 10.1483 10.4969 10.4969 10.5012 10.5012 11.0493 11.0511 k = 0.5000 0.5000 0.1765 ( 3876 PWs) bands (ev): -32.6987 -32.6987 -32.6979 -32.6979 -32.6979 -32.6979 -14.5885 -14.5885 -14.0741 -14.0741 -14.0422 -14.0422 -13.7645 -13.7645 -13.7414 -13.7414 -13.6334 -13.6334 -13.5945 -13.5945 -13.4920 -13.4920 -13.4830 -13.4830 -9.5781 -9.5781 1.2414 1.2414 3.0839 3.0839 3.0994 3.0994 3.7596 3.7596 6.5254 6.5254 6.5725 6.5725 7.4148 7.4148 10.1176 10.1176 10.4625 10.4625 10.4667 10.4667 11.0651 11.0660 k = 0.5000 0.5000 0.1912 ( 3884 PWs) bands (ev): -32.6986 -32.6986 -32.6979 -32.6979 -32.6979 -32.6979 -14.6032 -14.6032 -14.0748 -14.0748 -14.0447 -14.0447 -13.7699 -13.7699 -13.7360 -13.7360 -13.6280 -13.6280 -13.5903 -13.5903 -13.4897 -13.4897 -13.4810 -13.4810 -9.5645 -9.5645 1.2406 1.2406 3.0801 3.0801 3.0955 3.0955 3.7136 3.7136 6.5501 6.5501 6.5976 6.5976 7.3935 7.3935 10.0865 10.0865 10.4258 10.4258 10.4299 10.4299 11.0811 11.0811 k = 0.5000 0.5000 0.2059 ( 3884 PWs) bands (ev): -32.6985 -32.6985 -32.6979 -32.6979 -32.6979 -32.6979 -14.6180 -14.6180 -14.0756 -14.0756 -14.0474 -14.0474 -13.7752 -13.7752 -13.7308 -13.7308 -13.6225 -13.6225 -13.5864 -13.5864 -13.4873 -13.4873 -13.4789 -13.4789 -9.5504 -9.5504 1.2398 1.2398 3.0761 3.0761 3.0915 3.0915 3.6663 3.6663 6.5762 6.5762 6.6243 6.6243 7.3718 7.3718 10.0553 10.0553 10.3870 10.3870 10.3910 10.3910 11.0976 11.0982 k = 0.5000 0.5000 0.2206 ( 3876 PWs) bands (ev): -32.6985 -32.6985 -32.6978 -32.6978 -32.6978 -32.6978 -14.6328 -14.6328 -14.0764 -14.0764 -14.0502 -14.0502 -13.7802 -13.7802 -13.7257 -13.7257 -13.6169 -13.6169 -13.5827 -13.5827 -13.4846 -13.4846 -13.4766 -13.4766 -9.5359 -9.5359 1.2390 1.2390 3.0720 3.0720 3.0874 3.0874 3.6183 3.6183 6.6036 6.6036 6.6524 6.6524 7.3499 7.3499 10.0243 10.0243 10.3462 10.3462 10.3500 10.3500 11.1142 11.1194 k = 0.5000 0.5000 0.2353 ( 3876 PWs) bands (ev): -32.6984 -32.6984 -32.6978 -32.6978 -32.6978 -32.6978 -14.6474 -14.6474 -14.0772 -14.0772 -14.0531 -14.0531 -13.7851 -13.7851 -13.7209 -13.7209 -13.6113 -13.6113 -13.5793 -13.5793 -13.4819 -13.4819 -13.4742 -13.4742 -9.5211 -9.5211 1.2382 1.2382 3.0679 3.0679 3.0832 3.0832 3.5700 3.5700 6.6322 6.6322 6.6818 6.6818 7.3281 7.3281 9.9937 9.9937 10.3035 10.3035 10.3072 10.3072 11.1341 11.1352 k = 0.5000 0.5000 0.2500 ( 3848 PWs) bands (ev): -32.6983 -32.6983 -32.6978 -32.6978 -32.6978 -32.6978 -14.6618 -14.6618 -14.0780 -14.0780 -14.0560 -14.0560 -13.7897 -13.7897 -13.7163 -13.7163 -13.6057 -13.6057 -13.5761 -13.5761 -13.4789 -13.4789 -13.4717 -13.4717 -9.5062 -9.5062 1.2374 1.2374 3.0637 3.0637 3.0790 3.0790 3.5218 3.5218 6.6619 6.6619 6.7122 6.7122 7.3064 7.3064 9.9639 9.9639 10.2592 10.2592 10.2629 10.2629 11.1489 11.1531 k = 0.5000 0.5000 0.2647 ( 3872 PWs) bands (ev): -32.6983 -32.6983 -32.6978 -32.6978 -32.6978 -32.6978 -14.6759 -14.6759 -14.0790 -14.0790 -14.0590 -14.0590 -13.7941 -13.7941 -13.7120 -13.7120 -13.6004 -13.6004 -13.5733 -13.5733 -13.4760 -13.4760 -13.4692 -13.4692 -9.4912 -9.4912 1.2365 1.2365 3.0595 3.0595 3.0748 3.0748 3.4740 3.4740 6.6923 6.6923 6.7435 6.7435 7.2852 7.2852 9.9348 9.9348 10.2136 10.2136 10.2172 10.2172 11.1641 11.1690 k = 0.5000 0.5000 0.2794 ( 3868 PWs) bands (ev): -32.6982 -32.6982 -32.6978 -32.6978 -32.6977 -32.6977 -14.6896 -14.6896 -14.0798 -14.0798 -14.0620 -14.0620 -13.7983 -13.7983 -13.7080 -13.7080 -13.5953 -13.5953 -13.5708 -13.5708 -13.4730 -13.4730 -13.4667 -13.4667 -9.4763 -9.4763 1.2357 1.2357 3.0553 3.0553 3.0706 3.0706 3.4271 3.4271 6.7233 6.7233 6.7754 6.7754 7.2644 7.2644 9.9069 9.9069 10.1672 10.1672 10.1708 10.1708 11.1821 11.1841 k = 0.5000 0.5000 0.2941 ( 3868 PWs) bands (ev): -32.6981 -32.6981 -32.6977 -32.6977 -32.6977 -32.6977 -14.7027 -14.7027 -14.0807 -14.0807 -14.0649 -14.0649 -13.8022 -13.8022 -13.7043 -13.7043 -13.5903 -13.5903 -13.5685 -13.5685 -13.4700 -13.4700 -13.4641 -13.4641 -9.4616 -9.4616 1.2349 1.2349 3.0512 3.0512 3.0664 3.0664 3.3814 3.3814 6.7547 6.7547 6.8078 6.8078 7.2445 7.2445 9.8800 9.8800 10.1202 10.1202 10.1238 10.1238 11.1952 11.1997 k = 0.5000 0.5000 0.3088 ( 3868 PWs) bands (ev): -32.6981 -32.6981 -32.6977 -32.6977 -32.6977 -32.6977 -14.7153 -14.7153 -14.0816 -14.0816 -14.0677 -14.0677 -13.8059 -13.8059 -13.7009 -13.7009 -13.5856 -13.5856 -13.5664 -13.5664 -13.4669 -13.4669 -13.4616 -13.4616 -9.4473 -9.4473 1.2341 1.2341 3.0472 3.0472 3.0624 3.0624 3.3373 3.3373 6.7861 6.7861 6.8403 6.8403 7.2253 7.2253 9.8545 9.8545 10.0730 10.0730 10.0767 10.0767 11.2116 11.2140 k = 0.5000 0.5000 0.3235 ( 3868 PWs) bands (ev): -32.6980 -32.6980 -32.6977 -32.6977 -32.6977 -32.6977 -14.7271 -14.7271 -14.0824 -14.0824 -14.0705 -14.0705 -13.8093 -13.8093 -13.6977 -13.6977 -13.5812 -13.5812 -13.5645 -13.5645 -13.4639 -13.4639 -13.4592 -13.4592 -9.4335 -9.4335 1.2333 1.2333 3.0433 3.0433 3.0585 3.0585 3.2951 3.2951 6.8173 6.8173 6.8727 6.8727 7.2073 7.2073 9.8304 9.8304 10.0262 10.0262 10.0301 10.0301 11.2247 11.2278 k = 0.5000 0.5000 0.3382 ( 3876 PWs) bands (ev): -32.6979 -32.6979 -32.6977 -32.6977 -32.6977 -32.6977 -14.7383 -14.7383 -14.0833 -14.0833 -14.0731 -14.0731 -13.8124 -13.8124 -13.6949 -13.6949 -13.5771 -13.5771 -13.5629 -13.5629 -13.4610 -13.4610 -13.4568 -13.4568 -9.4202 -9.4202 1.2326 1.2326 3.0395 3.0395 3.0548 3.0548 3.2552 3.2552 6.8478 6.8478 6.9045 6.9045 7.1904 7.1904 9.8079 9.8079 9.9802 9.9802 9.9843 9.9843 11.2395 11.2416 k = 0.5000 0.5000 0.3529 ( 3884 PWs) bands (ev): -32.6979 -32.6979 -32.6977 -32.6977 -32.6977 -32.6977 -14.7487 -14.7487 -14.0841 -14.0841 -14.0756 -14.0756 -13.8153 -13.8153 -13.6923 -13.6923 -13.5734 -13.5734 -13.5615 -13.5615 -13.4582 -13.4582 -13.4546 -13.4546 -9.4077 -9.4077 1.2319 1.2319 3.0360 3.0360 3.0513 3.0513 3.2178 3.2178 6.8773 6.8773 6.9356 6.9356 7.1749 7.1749 9.7871 9.7871 9.9356 9.9356 9.9399 9.9399 11.2513 11.2564 k = 0.5000 0.5000 0.3676 ( 3884 PWs) bands (ev): -32.6978 -32.6978 -32.6977 -32.6977 -32.6977 -32.6977 -14.7582 -14.7582 -14.0848 -14.0848 -14.0779 -14.0779 -13.8179 -13.8179 -13.6900 -13.6900 -13.5699 -13.5699 -13.5602 -13.5602 -13.4555 -13.4555 -13.4525 -13.4525 -9.3959 -9.3959 1.2313 1.2313 3.0326 3.0326 3.0480 3.0480 3.1831 3.1831 6.9055 6.9055 6.9655 6.9655 7.1608 7.1608 9.7679 9.7679 9.8929 9.8929 9.8974 9.8974 11.2649 11.2687 k = 0.5000 0.5000 0.3824 ( 3892 PWs) bands (ev): -32.6978 -32.6978 -32.6977 -32.6977 -32.6977 -32.6977 -14.7669 -14.7669 -14.0855 -14.0855 -14.0800 -14.0800 -13.8203 -13.8203 -13.6880 -13.6880 -13.5669 -13.5669 -13.5591 -13.5591 -13.4530 -13.4530 -13.4505 -13.4505 -9.3852 -9.3852 1.2307 1.2307 3.0295 3.0295 3.0450 3.0450 3.1515 3.1515 6.9317 6.9317 6.9937 6.9937 7.1484 7.1484 9.7506 9.7506 9.8527 9.8527 9.8575 9.8575 11.2752 11.2834 k = 0.5000 0.5000 0.3971 ( 3888 PWs) bands (ev): -32.6977 -32.6977 -32.6976 -32.6976 -32.6976 -32.6976 -14.7746 -14.7746 -14.0862 -14.0862 -14.0819 -14.0819 -13.8223 -13.8223 -13.6862 -13.6862 -13.5642 -13.5642 -13.5582 -13.5582 -13.4507 -13.4507 -13.4487 -13.4487 -9.3754 -9.3754 1.2301 1.2301 3.0265 3.0265 3.0422 3.0422 3.1232 3.1232 6.9556 6.9556 7.0200 7.0200 7.1378 7.1378 9.7351 9.7351 9.8155 9.8155 9.8206 9.8206 11.2865 11.2925 k = 0.5000 0.5000 0.4118 ( 3892 PWs) bands (ev): -32.6977 -32.6977 -32.6976 -32.6976 -32.6976 -32.6976 -14.7814 -14.7814 -14.0868 -14.0868 -14.0836 -14.0836 -13.8241 -13.8241 -13.6847 -13.6847 -13.5618 -13.5618 -13.5574 -13.5574 -13.4486 -13.4486 -13.4472 -13.4472 -9.3667 -9.3667 1.2296 1.2296 3.0238 3.0238 3.0398 3.0398 3.0985 3.0985 6.9767 6.9767 7.0439 7.0439 7.1292 7.1292 9.7216 9.7216 9.7820 9.7820 9.7872 9.7872 11.2947 11.2990 k = 0.5000 0.5000 0.4265 ( 3892 PWs) bands (ev): -32.6977 -32.6977 -32.6976 -32.6976 -32.6976 -32.6976 -14.7872 -14.7872 -14.0872 -14.0872 -14.0850 -14.0850 -13.8256 -13.8256 -13.6834 -13.6834 -13.5598 -13.5598 -13.5567 -13.5567 -13.4468 -13.4468 -13.4458 -13.4458 -9.3593 -9.3593 1.2292 1.2292 3.0213 3.0213 3.0377 3.0377 3.0774 3.0774 6.9943 6.9943 7.0649 7.0649 7.1228 7.1228 9.7100 9.7100 9.7526 9.7526 9.7580 9.7580 11.3047 11.3240 k = 0.5000 0.5000 0.4412 ( 3892 PWs) bands (ev): -32.6977 -32.6977 -32.6976 -32.6976 -32.6976 -32.6976 -14.7920 -14.7920 -14.0876 -14.0876 -14.0862 -14.0862 -13.8269 -13.8269 -13.6823 -13.6823 -13.5582 -13.5582 -13.5562 -13.5562 -13.4454 -13.4454 -13.4447 -13.4447 -9.3531 -9.3531 1.2289 1.2289 3.0188 3.0188 3.0360 3.0360 3.0604 3.0604 7.0082 7.0082 7.0827 7.0827 7.1186 7.1186 9.7002 9.7002 9.7279 9.7279 9.7333 9.7333 11.3109 11.3203 k = 0.5000 0.5000 0.4559 ( 3892 PWs) bands (ev): -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -14.7957 -14.7957 -14.0880 -14.0880 -14.0872 -14.0872 -13.8278 -13.8278 -13.6815 -13.6815 -13.5569 -13.5569 -13.5558 -13.5558 -13.4442 -13.4442 -13.4438 -13.4438 -9.3482 -9.3482 1.2286 1.2286 3.0163 3.0163 3.0347 3.0347 3.0475 3.0475 7.0183 7.0183 7.0970 7.0970 7.1164 7.1164 9.6922 9.6922 9.7088 9.7088 9.7137 9.7137 11.3191 11.3233 k = 0.5000 0.5000 0.4706 ( 3900 PWs) bands (ev): -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -14.7984 -14.7984 -14.0882 -14.0882 -14.0879 -14.0879 -13.8285 -13.8285 -13.6810 -13.6810 -13.5560 -13.5560 -13.5556 -13.5556 -13.4433 -13.4433 -13.4432 -13.4432 -9.3447 -9.3447 1.2284 1.2284 3.0138 3.0138 3.0337 3.0337 3.0390 3.0390 7.0249 7.0249 7.1074 7.1074 7.1158 7.1158 9.6852 9.6852 9.6959 9.6959 9.6994 9.6994 11.3166 11.3188 k = 0.5000 0.5000 0.4853 ( 3912 PWs) bands (ev): -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -14.8000 -14.8000 -14.0884 -14.0884 -14.0883 -14.0883 -13.8290 -13.8290 -13.6807 -13.6807 -13.5555 -13.5555 -13.5554 -13.5554 -13.4428 -13.4428 -13.4428 -13.4428 -9.3426 -9.3426 1.2283 1.2283 3.0118 3.0118 3.0331 3.0331 3.0343 3.0343 7.0284 7.0284 7.1138 7.1138 7.1158 7.1158 9.6796 9.6796 9.6895 9.6895 9.6907 9.6907 11.3187 11.3219 k = 0.5000 0.5000 0.5000 ( 3912 PWs) bands (ev): -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -32.6976 -14.8006 -14.8006 -14.0884 -14.0884 -14.0884 -14.0884 -13.8291 -13.8291 -13.6805 -13.6805 -13.5553 -13.5553 -13.5553 -13.5553 -13.4427 -13.4427 -13.4427 -13.4427 -9.3418 -9.3418 1.2282 1.2282 3.0111 3.0111 3.0329 3.0329 3.0329 3.0329 7.0295 7.0295 7.1159 7.1159 7.1159 7.1159 9.6773 9.6773 9.6877 9.6877 9.6877 9.6877 11.3205 11.3236 Writing output data file Ca3GeO.save init_run : 0.26s CPU 0.62s WALL ( 1 calls) electrons : 289.62s CPU 295.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 289.61s CPU 295.06s 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 : 0.03s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 260 calls) cegterg : 279.60s CPU 283.66s WALL ( 1204 calls) Called by sum_band: Called by *egterg: h_psi : 118.55s CPU 121.12s WALL ( 23703 calls) s_psi : 7.24s CPU 7.17s WALL ( 23703 calls) g_psi : 0.36s CPU 0.33s WALL ( 22239 calls) cdiaghg : 135.13s CPU 136.46s WALL ( 22499 calls) cegterg:over : 8.42s CPU 8.54s WALL ( 22239 calls) cegterg:upda : 8.45s CPU 8.81s WALL ( 22239 calls) cegterg:last : 3.12s CPU 3.24s WALL ( 2134 calls) cdiaghg:chol : 7.12s CPU 7.33s WALL ( 22499 calls) cdiaghg:inve : 4.96s CPU 4.96s WALL ( 22499 calls) cdiaghg:para : 7.58s CPU 7.61s WALL ( 44998 calls) Called by h_psi: h_psi:vloc : 102.02s CPU 104.33s WALL ( 23703 calls) h_psi:vnl : 16.30s CPU 16.48s WALL ( 23703 calls) add_vuspsi : 8.23s CPU 8.33s WALL ( 23703 calls) General routines calbec : 8.01s CPU 8.10s WALL ( 23703 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 95.11s CPU 97.22s WALL ( 1228500 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.14s WALL ( 520 calls) Parallel routines fft_scatter : 35.16s CPU 36.59s WALL ( 1228523 calls) PWSCF : 5m 1.23s CPU 5m20.40s WALL This run was terminated on: 16:38:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=