Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:34:27 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: ./SrCrO3.save/ 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 37 36 10 1030 998 158 Max 39 37 11 1033 1021 161 Sum 1353 1321 385 37121 36377 5743 bravais-lattice index = 14 lattice parameter (alat) = 7.2184 a.u. unit-cell volume = 376.1130 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.218375 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cr 14.00 51.99610 Cr( 1.00) Sr 10.00 87.62000 Sr( 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= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389830), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050847), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949152), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949153 0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389831), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050848), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949153), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 Dense grid: 37121 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 36377 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 262, 50) NL pseudopotentials 0.22 Mb ( 131, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1033) G-vector shells 0.00 Mb ( 264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 262, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.17 Mb ( 110, 2, 50) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./SrCrO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.7 secs Computing kpt #: 23 total cpu time spent up to now is 12.1 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.8 secs Computing kpt #: 36 total cpu time spent up to now is 17.2 secs Computing kpt #: 37 total cpu time spent up to now is 17.6 secs Computing kpt #: 38 total cpu time spent up to now is 18.0 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.8 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.5 secs Computing kpt #: 43 total cpu time spent up to now is 19.9 secs Computing kpt #: 44 total cpu time spent up to now is 20.3 secs Computing kpt #: 45 total cpu time spent up to now is 20.6 secs Computing kpt #: 46 total cpu time spent up to now is 21.0 secs Computing kpt #: 47 total cpu time spent up to now is 21.4 secs Computing kpt #: 48 total cpu time spent up to now is 21.8 secs Computing kpt #: 49 total cpu time spent up to now is 22.1 secs Computing kpt #: 50 total cpu time spent up to now is 22.5 secs Computing kpt #: 51 total cpu time spent up to now is 22.9 secs Computing kpt #: 52 total cpu time spent up to now is 23.3 secs Computing kpt #: 53 total cpu time spent up to now is 23.7 secs Computing kpt #: 54 total cpu time spent up to now is 24.1 secs Computing kpt #: 55 total cpu time spent up to now is 24.4 secs Computing kpt #: 56 total cpu time spent up to now is 24.8 secs Computing kpt #: 57 total cpu time spent up to now is 25.2 secs Computing kpt #: 58 total cpu time spent up to now is 25.6 secs Computing kpt #: 59 total cpu time spent up to now is 26.0 secs Computing kpt #: 60 total cpu time spent up to now is 26.4 secs Computing kpt #: 61 total cpu time spent up to now is 26.8 secs Computing kpt #: 62 total cpu time spent up to now is 27.2 secs Computing kpt #: 63 total cpu time spent up to now is 27.6 secs Computing kpt #: 64 total cpu time spent up to now is 27.9 secs Computing kpt #: 65 total cpu time spent up to now is 28.3 secs Computing kpt #: 66 total cpu time spent up to now is 28.7 secs Computing kpt #: 67 total cpu time spent up to now is 29.1 secs Computing kpt #: 68 total cpu time spent up to now is 29.5 secs Computing kpt #: 69 total cpu time spent up to now is 29.9 secs Computing kpt #: 70 total cpu time spent up to now is 30.2 secs Computing kpt #: 71 total cpu time spent up to now is 30.6 secs Computing kpt #: 72 total cpu time spent up to now is 31.0 secs Computing kpt #: 73 total cpu time spent up to now is 31.4 secs Computing kpt #: 74 total cpu time spent up to now is 31.8 secs Computing kpt #: 75 total cpu time spent up to now is 32.1 secs Computing kpt #: 76 total cpu time spent up to now is 32.5 secs Computing kpt #: 77 total cpu time spent up to now is 32.9 secs Computing kpt #: 78 total cpu time spent up to now is 33.3 secs Computing kpt #: 79 total cpu time spent up to now is 33.6 secs Computing kpt #: 80 total cpu time spent up to now is 34.0 secs Computing kpt #: 81 total cpu time spent up to now is 34.4 secs Computing kpt #: 82 total cpu time spent up to now is 34.8 secs Computing kpt #: 83 total cpu time spent up to now is 35.6 secs Computing kpt #: 84 total cpu time spent up to now is 36.0 secs Computing kpt #: 85 total cpu time spent up to now is 36.3 secs Computing kpt #: 86 total cpu time spent up to now is 36.7 secs Computing kpt #: 87 total cpu time spent up to now is 37.1 secs Computing kpt #: 88 total cpu time spent up to now is 37.5 secs Computing kpt #: 89 total cpu time spent up to now is 37.9 secs Computing kpt #: 90 total cpu time spent up to now is 38.2 secs Computing kpt #: 91 total cpu time spent up to now is 38.6 secs Computing kpt #: 92 total cpu time spent up to now is 39.0 secs Computing kpt #: 93 total cpu time spent up to now is 39.4 secs Computing kpt #: 94 total cpu time spent up to now is 39.7 secs Computing kpt #: 95 total cpu time spent up to now is 40.1 secs Computing kpt #: 96 total cpu time spent up to now is 40.5 secs Computing kpt #: 97 total cpu time spent up to now is 40.9 secs Computing kpt #: 98 total cpu time spent up to now is 41.3 secs Computing kpt #: 99 total cpu time spent up to now is 41.6 secs Computing kpt #: 100 total cpu time spent up to now is 42.0 secs Computing kpt #: 101 total cpu time spent up to now is 42.4 secs Computing kpt #: 102 total cpu time spent up to now is 42.8 secs Computing kpt #: 103 total cpu time spent up to now is 43.2 secs Computing kpt #: 104 total cpu time spent up to now is 43.6 secs Computing kpt #: 105 total cpu time spent up to now is 44.0 secs Computing kpt #: 106 total cpu time spent up to now is 44.3 secs Computing kpt #: 107 total cpu time spent up to now is 44.7 secs Computing kpt #: 108 total cpu time spent up to now is 45.1 secs Computing kpt #: 109 total cpu time spent up to now is 45.5 secs Computing kpt #: 110 total cpu time spent up to now is 45.9 secs Computing kpt #: 111 total cpu time spent up to now is 46.3 secs Computing kpt #: 112 total cpu time spent up to now is 46.7 secs Computing kpt #: 113 total cpu time spent up to now is 47.1 secs Computing kpt #: 114 total cpu time spent up to now is 47.5 secs Computing kpt #: 115 total cpu time spent up to now is 47.9 secs Computing kpt #: 116 total cpu time spent up to now is 48.3 secs Computing kpt #: 117 total cpu time spent up to now is 48.7 secs Computing kpt #: 118 total cpu time spent up to now is 49.1 secs Computing kpt #: 119 total cpu time spent up to now is 49.5 secs Computing kpt #: 120 total cpu time spent up to now is 49.9 secs Computing kpt #: 121 total cpu time spent up to now is 50.3 secs Computing kpt #: 122 total cpu time spent up to now is 50.7 secs Computing kpt #: 123 total cpu time spent up to now is 51.1 secs Computing kpt #: 124 total cpu time spent up to now is 51.5 secs Computing kpt #: 125 total cpu time spent up to now is 52.0 secs Computing kpt #: 126 total cpu time spent up to now is 52.4 secs Computing kpt #: 127 total cpu time spent up to now is 52.8 secs Computing kpt #: 128 total cpu time spent up to now is 53.2 secs Computing kpt #: 129 total cpu time spent up to now is 53.6 secs Computing kpt #: 130 total cpu time spent up to now is 54.0 secs Computing kpt #: 131 total cpu time spent up to now is 54.4 secs Computing kpt #: 132 total cpu time spent up to now is 54.8 secs Computing kpt #: 133 total cpu time spent up to now is 55.2 secs Computing kpt #: 134 total cpu time spent up to now is 55.5 secs Computing kpt #: 135 total cpu time spent up to now is 55.9 secs Computing kpt #: 136 total cpu time spent up to now is 56.3 secs Computing kpt #: 137 total cpu time spent up to now is 56.7 secs Computing kpt #: 138 total cpu time spent up to now is 57.1 secs Computing kpt #: 139 total cpu time spent up to now is 57.5 secs Computing kpt #: 140 total cpu time spent up to now is 57.9 secs Computing kpt #: 141 total cpu time spent up to now is 58.3 secs Computing kpt #: 142 total cpu time spent up to now is 58.7 secs Computing kpt #: 143 total cpu time spent up to now is 59.1 secs Computing kpt #: 144 total cpu time spent up to now is 59.4 secs Computing kpt #: 145 total cpu time spent up to now is 59.8 secs Computing kpt #: 146 total cpu time spent up to now is 60.2 secs Computing kpt #: 147 total cpu time spent up to now is 60.6 secs Computing kpt #: 148 total cpu time spent up to now is 60.9 secs Computing kpt #: 149 total cpu time spent up to now is 61.3 secs Computing kpt #: 150 total cpu time spent up to now is 61.7 secs Computing kpt #: 151 total cpu time spent up to now is 62.1 secs Computing kpt #: 152 total cpu time spent up to now is 62.5 secs Computing kpt #: 153 total cpu time spent up to now is 62.8 secs Computing kpt #: 154 total cpu time spent up to now is 63.2 secs Computing kpt #: 155 total cpu time spent up to now is 63.6 secs Computing kpt #: 156 total cpu time spent up to now is 64.0 secs Computing kpt #: 157 total cpu time spent up to now is 64.4 secs Computing kpt #: 158 total cpu time spent up to now is 64.8 secs Computing kpt #: 159 total cpu time spent up to now is 65.2 secs Computing kpt #: 160 total cpu time spent up to now is 65.6 secs Computing kpt #: 161 total cpu time spent up to now is 66.0 secs Computing kpt #: 162 total cpu time spent up to now is 66.4 secs Computing kpt #: 163 total cpu time spent up to now is 66.8 secs Computing kpt #: 164 total cpu time spent up to now is 67.2 secs Computing kpt #: 165 total cpu time spent up to now is 67.6 secs Computing kpt #: 166 total cpu time spent up to now is 68.0 secs Computing kpt #: 167 total cpu time spent up to now is 68.4 secs Computing kpt #: 168 total cpu time spent up to now is 68.8 secs Computing kpt #: 169 total cpu time spent up to now is 69.2 secs Computing kpt #: 170 total cpu time spent up to now is 69.6 secs Computing kpt #: 171 total cpu time spent up to now is 70.0 secs Computing kpt #: 172 total cpu time spent up to now is 70.5 secs Computing kpt #: 173 total cpu time spent up to now is 70.9 secs Computing kpt #: 174 total cpu time spent up to now is 71.3 secs Computing kpt #: 175 total cpu time spent up to now is 71.7 secs Computing kpt #: 176 total cpu time spent up to now is 72.1 secs Computing kpt #: 177 total cpu time spent up to now is 72.5 secs Computing kpt #: 178 total cpu time spent up to now is 72.9 secs Computing kpt #: 179 total cpu time spent up to now is 73.3 secs Computing kpt #: 180 total cpu time spent up to now is 73.7 secs Computing kpt #: 181 total cpu time spent up to now is 74.1 secs Computing kpt #: 182 total cpu time spent up to now is 74.5 secs Computing kpt #: 183 total cpu time spent up to now is 74.9 secs Computing kpt #: 184 total cpu time spent up to now is 75.3 secs Computing kpt #: 185 total cpu time spent up to now is 75.7 secs Computing kpt #: 186 total cpu time spent up to now is 76.1 secs Computing kpt #: 187 total cpu time spent up to now is 76.5 secs Computing kpt #: 188 total cpu time spent up to now is 76.9 secs Computing kpt #: 189 total cpu time spent up to now is 77.3 secs Computing kpt #: 190 total cpu time spent up to now is 77.7 secs Computing kpt #: 191 total cpu time spent up to now is 78.1 secs Computing kpt #: 192 total cpu time spent up to now is 78.5 secs Computing kpt #: 193 total cpu time spent up to now is 78.9 secs Computing kpt #: 194 total cpu time spent up to now is 79.3 secs Computing kpt #: 195 total cpu time spent up to now is 79.7 secs Computing kpt #: 196 total cpu time spent up to now is 80.1 secs Computing kpt #: 197 total cpu time spent up to now is 80.5 secs Computing kpt #: 198 total cpu time spent up to now is 80.9 secs Computing kpt #: 199 total cpu time spent up to now is 81.3 secs Computing kpt #: 200 total cpu time spent up to now is 81.7 secs Computing kpt #: 201 total cpu time spent up to now is 82.1 secs Computing kpt #: 202 total cpu time spent up to now is 82.6 secs Computing kpt #: 203 total cpu time spent up to now is 83.0 secs Computing kpt #: 204 total cpu time spent up to now is 83.4 secs Computing kpt #: 205 total cpu time spent up to now is 83.8 secs Computing kpt #: 206 total cpu time spent up to now is 84.2 secs Computing kpt #: 207 total cpu time spent up to now is 84.7 secs Computing kpt #: 208 total cpu time spent up to now is 85.1 secs Computing kpt #: 209 total cpu time spent up to now is 85.5 secs Computing kpt #: 210 total cpu time spent up to now is 86.0 secs Computing kpt #: 211 total cpu time spent up to now is 86.4 secs Computing kpt #: 212 total cpu time spent up to now is 86.9 secs Computing kpt #: 213 total cpu time spent up to now is 87.3 secs Computing kpt #: 214 total cpu time spent up to now is 87.7 secs Computing kpt #: 215 total cpu time spent up to now is 88.2 secs Computing kpt #: 216 total cpu time spent up to now is 88.6 secs Computing kpt #: 217 total cpu time spent up to now is 89.0 secs Computing kpt #: 218 total cpu time spent up to now is 89.4 secs Computing kpt #: 219 total cpu time spent up to now is 89.8 secs Computing kpt #: 220 total cpu time spent up to now is 90.2 secs Computing kpt #: 221 total cpu time spent up to now is 90.6 secs Computing kpt #: 222 total cpu time spent up to now is 91.0 secs Computing kpt #: 223 total cpu time spent up to now is 91.5 secs Computing kpt #: 224 total cpu time spent up to now is 91.9 secs Computing kpt #: 225 total cpu time spent up to now is 92.3 secs Computing kpt #: 226 total cpu time spent up to now is 92.8 secs Computing kpt #: 227 total cpu time spent up to now is 93.2 secs Computing kpt #: 228 total cpu time spent up to now is 93.6 secs Computing kpt #: 229 total cpu time spent up to now is 94.1 secs Computing kpt #: 230 total cpu time spent up to now is 94.5 secs Computing kpt #: 231 total cpu time spent up to now is 95.0 secs Computing kpt #: 232 total cpu time spent up to now is 95.4 secs Computing kpt #: 233 total cpu time spent up to now is 95.8 secs Computing kpt #: 234 total cpu time spent up to now is 96.2 secs Computing kpt #: 235 total cpu time spent up to now is 96.6 secs Computing kpt #: 236 total cpu time spent up to now is 97.1 secs Computing kpt #: 237 total cpu time spent up to now is 97.5 secs Computing kpt #: 238 total cpu time spent up to now is 97.9 secs Computing kpt #: 239 total cpu time spent up to now is 98.3 secs Computing kpt #: 240 total cpu time spent up to now is 98.7 secs Computing kpt #: 241 total cpu time spent up to now is 99.1 secs Computing kpt #: 242 total cpu time spent up to now is 99.6 secs Computing kpt #: 243 total cpu time spent up to now is 100.0 secs Computing kpt #: 244 total cpu time spent up to now is 100.4 secs Computing kpt #: 245 total cpu time spent up to now is 100.8 secs Computing kpt #: 246 total cpu time spent up to now is 101.2 secs Computing kpt #: 247 total cpu time spent up to now is 101.6 secs Computing kpt #: 248 total cpu time spent up to now is 102.0 secs Computing kpt #: 249 total cpu time spent up to now is 102.4 secs Computing kpt #: 250 total cpu time spent up to now is 102.8 secs Computing kpt #: 251 total cpu time spent up to now is 103.2 secs Computing kpt #: 252 total cpu time spent up to now is 103.6 secs Computing kpt #: 253 total cpu time spent up to now is 103.9 secs Computing kpt #: 254 total cpu time spent up to now is 104.3 secs Computing kpt #: 255 total cpu time spent up to now is 104.7 secs Computing kpt #: 256 total cpu time spent up to now is 105.1 secs Computing kpt #: 257 total cpu time spent up to now is 105.5 secs Computing kpt #: 258 total cpu time spent up to now is 105.9 secs Computing kpt #: 259 total cpu time spent up to now is 106.2 secs Computing kpt #: 260 total cpu time spent up to now is 106.6 secs Computing kpt #: 261 total cpu time spent up to now is 107.0 secs Computing kpt #: 262 total cpu time spent up to now is 107.4 secs Computing kpt #: 263 total cpu time spent up to now is 107.8 secs Computing kpt #: 264 total cpu time spent up to now is 108.2 secs Computing kpt #: 265 total cpu time spent up to now is 108.5 secs Computing kpt #: 266 total cpu time spent up to now is 108.9 secs Computing kpt #: 267 total cpu time spent up to now is 109.3 secs Computing kpt #: 268 total cpu time spent up to now is 109.7 secs Computing kpt #: 269 total cpu time spent up to now is 110.1 secs Computing kpt #: 270 total cpu time spent up to now is 110.5 secs Computing kpt #: 271 total cpu time spent up to now is 110.8 secs Computing kpt #: 272 total cpu time spent up to now is 111.2 secs Computing kpt #: 273 total cpu time spent up to now is 111.6 secs Computing kpt #: 274 total cpu time spent up to now is 112.0 secs Computing kpt #: 275 total cpu time spent up to now is 112.3 secs Computing kpt #: 276 total cpu time spent up to now is 112.7 secs Computing kpt #: 277 total cpu time spent up to now is 113.1 secs Computing kpt #: 278 total cpu time spent up to now is 113.5 secs Computing kpt #: 279 total cpu time spent up to now is 113.9 secs Computing kpt #: 280 total cpu time spent up to now is 114.3 secs Computing kpt #: 281 total cpu time spent up to now is 114.6 secs Computing kpt #: 282 total cpu time spent up to now is 115.0 secs Computing kpt #: 283 total cpu time spent up to now is 115.4 secs Computing kpt #: 284 total cpu time spent up to now is 115.8 secs Computing kpt #: 285 total cpu time spent up to now is 116.1 secs Computing kpt #: 286 total cpu time spent up to now is 116.5 secs Computing kpt #: 287 total cpu time spent up to now is 116.9 secs Computing kpt #: 288 total cpu time spent up to now is 117.3 secs Computing kpt #: 289 total cpu time spent up to now is 117.6 secs Computing kpt #: 290 total cpu time spent up to now is 118.0 secs Computing kpt #: 291 total cpu time spent up to now is 118.4 secs Computing kpt #: 292 total cpu time spent up to now is 118.8 secs Computing kpt #: 293 total cpu time spent up to now is 119.1 secs Computing kpt #: 294 total cpu time spent up to now is 119.5 secs Computing kpt #: 295 total cpu time spent up to now is 119.9 secs Computing kpt #: 296 total cpu time spent up to now is 120.3 secs Computing kpt #: 297 total cpu time spent up to now is 120.7 secs Computing kpt #: 298 total cpu time spent up to now is 121.1 secs Computing kpt #: 299 total cpu time spent up to now is 121.5 secs Computing kpt #: 300 total cpu time spent up to now is 121.9 secs Computing kpt #: 301 total cpu time spent up to now is 122.3 secs Computing kpt #: 302 total cpu time spent up to now is 122.7 secs Computing kpt #: 303 total cpu time spent up to now is 123.1 secs Computing kpt #: 304 total cpu time spent up to now is 123.5 secs Computing kpt #: 305 total cpu time spent up to now is 123.9 secs Computing kpt #: 306 total cpu time spent up to now is 124.3 secs Computing kpt #: 307 total cpu time spent up to now is 124.8 secs Computing kpt #: 308 total cpu time spent up to now is 125.2 secs Computing kpt #: 309 total cpu time spent up to now is 125.6 secs Computing kpt #: 310 total cpu time spent up to now is 126.0 secs Computing kpt #: 311 total cpu time spent up to now is 126.5 secs Computing kpt #: 312 total cpu time spent up to now is 126.9 secs Computing kpt #: 313 total cpu time spent up to now is 127.3 secs Computing kpt #: 314 total cpu time spent up to now is 127.7 secs Computing kpt #: 315 total cpu time spent up to now is 128.2 secs Computing kpt #: 316 total cpu time spent up to now is 128.6 secs Computing kpt #: 317 total cpu time spent up to now is 129.0 secs Computing kpt #: 318 total cpu time spent up to now is 129.5 secs Computing kpt #: 319 total cpu time spent up to now is 129.9 secs Computing kpt #: 320 total cpu time spent up to now is 130.3 secs Computing kpt #: 321 total cpu time spent up to now is 130.7 secs Computing kpt #: 322 total cpu time spent up to now is 131.1 secs ethr = 2.38E-08, avg # of iterations = 13.3 total cpu time spent up to now is 131.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3446 -32.3446 -31.3636 -31.3636 -31.3636 -31.3636 -21.6455 -21.6455 -7.1741 -7.1741 -5.8681 -5.8681 -5.8681 -5.8681 -4.4328 -4.4328 -3.3080 -3.3080 -3.3080 -3.3080 7.2501 7.2501 7.3445 7.3445 7.3445 7.3445 9.4743 9.4743 9.4743 9.4743 9.4908 9.4908 10.2552 10.2552 10.3261 10.3261 10.3261 10.3261 11.0419 11.0419 11.0419 11.0419 11.0919 11.0919 13.0714 13.0714 13.0714 13.0714 k = 0.0000 0.0119-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3446 -32.3446 -31.3636 -31.3636 -31.3636 -31.3636 -21.6455 -21.6455 -7.1741 -7.1741 -5.8686 -5.8686 -5.8680 -5.8680 -4.4323 -4.4323 -3.3079 -3.3079 -3.3073 -3.3073 7.2493 7.2493 7.3430 7.3430 7.3445 7.3445 9.4711 9.4711 9.4723 9.4723 9.4882 9.4882 10.2514 10.2514 10.3210 10.3210 10.3232 10.3232 11.0440 11.0440 11.0481 11.0481 11.0961 11.0961 13.0714 13.0714 13.0777 13.0777 k = 0.0000 0.0238-0.0000 ( 4565 PWs) bands (ev): -60.3025 -60.3025 -32.3448 -32.3448 -31.3639 -31.3639 -31.3636 -31.3636 -21.6453 -21.6453 -7.1740 -7.1740 -5.8701 -5.8701 -5.8678 -5.8678 -4.4307 -4.4307 -3.3076 -3.3076 -3.3052 -3.3052 7.2469 7.2469 7.3383 7.3383 7.3442 7.3442 9.4614 9.4614 9.4655 9.4655 9.4811 9.4811 10.2398 10.2398 10.3062 10.3062 10.3147 10.3147 11.0477 11.0477 11.0633 11.0633 11.1077 11.1077 13.0713 13.0713 13.0910 13.0910 k = 0.0000 0.0357-0.0000 ( 4557 PWs) bands (ev): -60.3018 -60.3018 -32.3448 -32.3448 -31.3638 -31.3638 -31.3636 -31.3636 -21.6451 -21.6451 -7.1739 -7.1739 -5.8725 -5.8725 -5.8675 -5.8675 -4.4281 -4.4281 -3.3071 -3.3071 -3.3017 -3.3017 7.2423 7.2423 7.3312 7.3312 7.3437 7.3437 9.4455 9.4455 9.4526 9.4526 9.4711 9.4711 10.2198 10.2198 10.2841 10.2841 10.3018 10.3018 11.0522 11.0522 11.0926 11.0926 11.1331 11.1331 13.0715 13.0715 13.1293 13.1293 k = 0.0000 0.0476-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3447 -32.3447 -31.3638 -31.3638 -31.3636 -31.3636 -21.6448 -21.6448 -7.1738 -7.1738 -5.8758 -5.8758 -5.8670 -5.8670 -4.4245 -4.4245 -3.3064 -3.3064 -3.2968 -3.2968 7.2348 7.2348 7.3224 7.3224 7.3431 7.3431 9.4236 9.4236 9.4326 9.4326 9.4595 9.4595 10.1898 10.1898 10.2583 10.2583 10.2855 10.2855 11.0563 11.0563 11.1322 11.1322 11.1701 11.1701 13.0698 13.0698 13.1722 13.1722 k = 0.0000 0.0595-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3448 -32.3448 -31.3639 -31.3639 -31.3636 -31.3636 -21.6444 -21.6444 -7.1737 -7.1737 -5.8799 -5.8799 -5.8665 -5.8665 -4.4199 -4.4199 -3.3054 -3.3054 -3.2906 -3.2906 7.2232 7.2232 7.3132 7.3132 7.3424 7.3424 9.3961 9.3961 9.4063 9.4063 9.4461 9.4461 10.1483 10.1483 10.2328 10.2328 10.2670 10.2670 11.0594 11.0594 11.1786 11.1786 11.2150 11.2150 13.0684 13.0684 13.2231 13.2231 k = 0.0000 0.0714-0.0000 ( 4561 PWs) bands (ev): -60.3022 -60.3022 -32.3450 -32.3450 -31.3642 -31.3642 -31.3638 -31.3638 -21.6439 -21.6439 -7.1736 -7.1736 -5.8846 -5.8846 -5.8658 -5.8658 -4.4146 -4.4146 -3.3043 -3.3043 -3.2831 -3.2831 7.2064 7.2064 7.3048 7.3048 7.3414 7.3414 9.3635 9.3635 9.3744 9.3744 9.4305 9.4305 10.0959 10.0959 10.2088 10.2088 10.2474 10.2474 11.0592 11.0592 11.2297 11.2297 11.2652 11.2652 13.0661 13.0661 13.2820 13.2820 k = 0.0000 0.0833-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3450 -32.3450 -31.3644 -31.3644 -31.3636 -31.3636 -21.6433 -21.6433 -7.1737 -7.1737 -5.8899 -5.8899 -5.8650 -5.8650 -4.4084 -4.4084 -3.3030 -3.3030 -3.2744 -3.2744 7.1840 7.1840 7.2980 7.2980 7.3404 7.3404 9.3262 9.3262 9.3378 9.3378 9.4127 9.4127 10.0351 10.0351 10.1864 10.1864 10.2273 10.2273 11.0642 11.0642 11.2863 11.2863 11.3212 11.3212 13.0670 13.0670 13.3502 13.3502 k = 0.0000 0.0952-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3451 -32.3451 -31.3646 -31.3646 -31.3636 -31.3636 -21.6426 -21.6426 -7.1739 -7.1739 -5.8955 -5.8955 -5.8641 -5.8641 -4.4016 -4.4016 -3.3015 -3.3015 -3.2644 -3.2644 7.1561 7.1561 7.2926 7.2926 7.3392 7.3392 9.2850 9.2850 9.2972 9.2972 9.3928 9.3928 9.9675 9.9675 10.1652 10.1652 10.2074 10.2074 11.0663 11.0663 11.3471 11.3471 11.3816 11.3816 13.0674 13.0674 13.4236 13.4236 k = 0.0000 0.1071-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3452 -32.3452 -31.3648 -31.3648 -31.3636 -31.3636 -21.6419 -21.6419 -7.1743 -7.1743 -5.9013 -5.9013 -5.8631 -5.8631 -4.3943 -4.3943 -3.2999 -3.2999 -3.2533 -3.2533 7.1231 7.1231 7.2886 7.2886 7.3378 7.3378 9.2404 9.2404 9.2532 9.2532 9.3708 9.3708 9.8952 9.8952 10.1450 10.1450 10.1878 10.1878 11.0679 11.0679 11.4107 11.4107 11.4450 11.4450 13.0675 13.0675 13.5032 13.5032 k = 0.0000 0.1190-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3453 -32.3453 -31.3651 -31.3651 -31.3636 -31.3636 -21.6410 -21.6410 -7.1750 -7.1750 -5.9071 -5.9071 -5.8619 -5.8619 -4.3865 -4.3865 -3.2981 -3.2981 -3.2412 -3.2412 7.0857 7.0857 7.2854 7.2854 7.3363 7.3363 9.1930 9.1930 9.2065 9.2065 9.3469 9.3469 9.8190 9.8190 10.1257 10.1257 10.1688 10.1688 11.0702 11.0702 11.4767 11.4767 11.5108 11.5108 13.0679 13.0679 13.5854 13.5854 k = 0.0000 0.1310-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3454 -32.3454 -31.3654 -31.3654 -31.3635 -31.3635 -21.6401 -21.6401 -7.1760 -7.1760 -5.9129 -5.9129 -5.8607 -5.8607 -4.3783 -4.3783 -3.2961 -3.2961 -3.2280 -3.2280 7.0444 7.0444 7.2828 7.2828 7.3348 7.3348 9.1435 9.1435 9.1577 9.1577 9.3213 9.3213 9.7400 9.7400 10.1073 10.1073 10.1504 10.1504 11.0731 11.0731 11.5462 11.5462 11.5802 11.5802 13.0706 13.0706 13.6669 13.6669 k = 0.0000 0.1429-0.0000 ( 4545 PWs) bands (ev): -60.3009 -60.3009 -32.3454 -32.3454 -31.3657 -31.3657 -31.3633 -31.3633 -21.6392 -21.6392 -7.1774 -7.1774 -5.9183 -5.9183 -5.8593 -5.8593 -4.3698 -4.3698 -3.2940 -3.2940 -3.2140 -3.2140 6.9998 6.9998 7.2807 7.2807 7.3332 7.3332 9.0922 9.0922 9.1072 9.1072 9.2942 9.2942 9.6595 9.6595 10.0896 10.0896 10.1325 10.1325 11.0759 11.0759 11.6154 11.6154 11.6494 11.6494 13.0771 13.0771 13.7557 13.7557 k = 0.0000 0.1548-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3457 -32.3457 -31.3661 -31.3661 -31.3634 -31.3634 -21.6382 -21.6382 -7.1792 -7.1792 -5.9233 -5.9233 -5.8579 -5.8579 -4.3611 -4.3611 -3.2917 -3.2917 -3.1991 -3.1991 6.9520 6.9520 7.2789 7.2789 7.3314 7.3314 9.0393 9.0393 9.0551 9.0551 9.2658 9.2658 9.5779 9.5779 10.0725 10.0725 10.1152 10.1152 11.0785 11.0785 11.6833 11.6833 11.7173 11.7173 13.0737 13.0737 13.8441 13.8441 k = 0.0000 0.1667-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3458 -32.3458 -31.3665 -31.3665 -31.3634 -31.3634 -21.6371 -21.6371 -7.1815 -7.1815 -5.9277 -5.9277 -5.8565 -5.8565 -4.3523 -4.3523 -3.2893 -3.2893 -3.1835 -3.1835 6.9018 6.9018 7.2773 7.2773 7.3296 7.3296 8.9859 8.9859 9.0025 9.0025 9.2363 9.2363 9.4959 9.4959 10.0560 10.0560 10.0984 10.0984 11.0814 11.0814 11.7533 11.7533 11.7873 11.7873 13.0742 13.0742 13.9333 13.9333 k = 0.0000 0.1786-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3460 -32.3460 -31.3669 -31.3669 -31.3634 -31.3634 -21.6360 -21.6360 -7.1843 -7.1843 -5.9315 -5.9315 -5.8549 -5.8549 -4.3435 -4.3435 -3.2868 -3.2868 -3.1673 -3.1673 6.8495 6.8495 7.2759 7.2759 7.3278 7.3278 8.9320 8.9320 8.9494 8.9494 9.2058 9.2058 9.4141 9.4141 10.0401 10.0401 10.0820 10.0820 11.0844 11.0844 11.8230 11.8230 11.8571 11.8571 13.0746 13.0746 14.0229 14.0229 k = 0.0000 0.1905-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3461 -32.3461 -31.3673 -31.3673 -31.3633 -31.3633 -21.6348 -21.6348 -7.1877 -7.1877 -5.9344 -5.9344 -5.8534 -5.8534 -4.3347 -4.3347 -3.2843 -3.2843 -3.1505 -3.1505 6.7952 6.7952 7.2747 7.2747 7.3259 7.3259 8.8780 8.8780 8.8963 8.8963 9.1746 9.1746 9.3330 9.3330 10.0246 10.0246 10.0661 10.0661 11.0875 11.0875 11.8927 11.8927 11.9270 11.9270 13.0751 13.0751 14.1116 14.1116 k = 0.0000 0.2024-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3463 -32.3463 -31.3677 -31.3677 -31.3633 -31.3633 -21.6336 -21.6336 -7.1916 -7.1916 -5.9365 -5.9365 -5.8517 -5.8517 -4.3260 -4.3260 -3.2816 -3.2816 -3.1334 -3.1334 6.7393 6.7393 7.2737 7.2737 7.3241 7.3241 8.8242 8.8242 8.8435 8.8435 9.1429 9.1429 9.2529 9.2529 10.0096 10.0096 10.0507 10.0507 11.0907 11.0907 11.9619 11.9619 11.9963 11.9963 13.0757 13.0757 14.1996 14.1996 k = 0.0000 0.2143-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3465 -32.3465 -31.3681 -31.3681 -31.3633 -31.3633 -21.6324 -21.6324 -7.1961 -7.1961 -5.9376 -5.9376 -5.8500 -5.8500 -4.3175 -4.3175 -3.2789 -3.2789 -3.1159 -3.1159 6.6822 6.6822 7.2729 7.2729 7.3222 7.3222 8.7706 8.7706 8.7909 8.7909 9.1109 9.1109 9.1742 9.1742 9.9949 9.9949 10.0355 10.0355 11.0928 11.0928 12.0295 12.0295 12.0641 12.0641 13.0762 13.0762 14.2862 14.2862 k = 0.0000 0.2262-0.0000 ( 4573 PWs) bands (ev): -60.3032 -60.3032 -32.3469 -32.3469 -31.3689 -31.3689 -31.3634 -31.3634 -21.6311 -21.6311 -7.2012 -7.2012 -5.9378 -5.9378 -5.8483 -5.8483 -4.3091 -4.3091 -3.2761 -3.2761 -3.0983 -3.0983 6.6242 6.6242 7.2722 7.2722 7.3204 7.3204 8.7172 8.7172 8.7385 8.7385 9.0787 9.0787 9.0969 9.0969 9.9806 9.9806 10.0207 10.0207 11.0955 11.0955 12.0941 12.0941 12.1288 12.1288 13.0763 13.0763 14.3631 14.3631 k = 0.0000 0.2381-0.0000 ( 4569 PWs) bands (ev): -60.3029 -60.3029 -32.3470 -32.3470 -31.3692 -31.3692 -31.3633 -31.3633 -21.6299 -21.6299 -7.2067 -7.2067 -5.9369 -5.9369 -5.8466 -5.8466 -4.3010 -4.3010 -3.2733 -3.2733 -3.0805 -3.0805 6.5663 6.5663 7.2717 7.2717 7.3187 7.3187 8.6653 8.6653 8.6877 8.6877 9.0222 9.0222 9.0466 9.0466 9.9668 9.9668 10.0065 10.0065 11.0989 11.0989 12.1603 12.1603 12.1953 12.1953 13.0768 13.0768 14.4498 14.4498 k = 0.0000 0.2500-0.0000 ( 4581 PWs) bands (ev): -60.3039 -60.3039 -32.3473 -32.3473 -31.3699 -31.3699 -31.3634 -31.3634 -21.6286 -21.6286 -7.2128 -7.2128 -5.9351 -5.9351 -5.8448 -5.8448 -4.2931 -4.2931 -3.2705 -3.2705 -3.0628 -3.0628 6.5076 6.5076 7.2713 7.2713 7.3170 7.3170 8.6141 8.6141 8.6376 8.6376 8.9493 8.9493 9.0147 9.0147 9.9534 9.9534 9.9926 9.9926 11.0998 11.0998 12.2229 12.2229 12.2580 12.2580 13.0771 13.0771 14.5267 14.5267 k = 0.0000 0.2619-0.0000 ( 4557 PWs) bands (ev): -60.3018 -60.3018 -32.3472 -32.3472 -31.3699 -31.3699 -31.3631 -31.3631 -21.6273 -21.6273 -7.2193 -7.2193 -5.9323 -5.9323 -5.8430 -5.8430 -4.2855 -4.2855 -3.2676 -3.2676 -3.0452 -3.0452 6.4500 6.4500 7.2713 7.2713 7.3155 7.3155 8.5653 8.5653 8.5900 8.5900 8.8793 8.8793 8.9832 8.9832 9.9405 9.9405 9.9793 9.9793 11.1045 11.1045 12.2898 12.2898 12.3251 12.3251 13.0846 13.0846 14.6115 14.6115 k = 0.0000 0.2738-0.0000 ( 4557 PWs) bands (ev): -60.3018 -60.3018 -32.3473 -32.3473 -31.3703 -31.3703 -31.3631 -31.3631 -21.6261 -21.6261 -7.2262 -7.2262 -5.9287 -5.9287 -5.8413 -5.8413 -4.2782 -4.2782 -3.2648 -3.2648 -3.0278 -3.0278 6.3923 6.3923 7.2713 7.2713 7.3140 7.3140 8.5170 8.5170 8.5430 8.5430 8.8115 8.8115 8.9523 8.9523 9.9280 9.9280 9.9663 9.9663 11.1079 11.1079 12.3511 12.3511 12.3866 12.3866 13.0851 13.0851 14.6869 14.6869 k = 0.0000 0.2857-0.0000 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3474 -32.3474 -31.3705 -31.3705 -31.3630 -31.3630 -21.6248 -21.6248 -7.2334 -7.2334 -5.9243 -5.9243 -5.8396 -5.8396 -4.2712 -4.2712 -3.2620 -3.2620 -3.0107 -3.0107 6.3359 6.3359 7.2717 7.2717 7.3128 7.3128 8.4705 8.4705 8.4978 8.4978 8.7466 8.7466 8.9220 8.9220 9.9159 9.9159 9.9538 9.9538 11.1113 11.1113 12.4127 12.4127 12.4484 12.4484 13.0864 13.0864 14.7622 14.7622 k = 0.0000 0.2976-0.0000 ( 4556 PWs) bands (ev): -60.3017 -60.3017 -32.3477 -32.3477 -31.3711 -31.3711 -31.3631 -31.3631 -21.6236 -21.6236 -7.2409 -7.2409 -5.9191 -5.9191 -5.8379 -5.8379 -4.2646 -4.2646 -3.2593 -3.2593 -2.9940 -2.9940 6.2802 6.2802 7.2722 7.2722 7.3116 7.3116 8.4248 8.4248 8.4535 8.4535 8.6845 8.6845 8.8926 8.8926 9.9043 9.9043 9.9418 9.9418 11.1135 11.1135 12.4681 12.4681 12.5038 12.5038 13.0851 13.0851 14.8316 14.8316 k = 0.0000 0.3095-0.0000 ( 4556 PWs) bands (ev): -60.3017 -60.3017 -32.3478 -32.3478 -31.3715 -31.3715 -31.3630 -31.3630 -21.6224 -21.6224 -7.2485 -7.2485 -5.9133 -5.9133 -5.8362 -5.8362 -4.2583 -4.2583 -3.2566 -3.2566 -2.9779 -2.9779 6.2261 6.2261 7.2729 7.2729 7.3105 7.3105 8.3814 8.3814 8.4114 8.4114 8.6254 8.6254 8.8642 8.8642 9.8932 9.8932 9.9303 9.9303 11.1168 11.1168 12.5230 12.5230 12.5589 12.5589 13.0856 13.0856 14.8978 14.8978 k = 0.0000 0.3214-0.0000 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3479 -32.3479 -31.3717 -31.3717 -31.3629 -31.3629 -21.6212 -21.6212 -7.2562 -7.2562 -5.9071 -5.9071 -5.8346 -5.8346 -4.2523 -4.2523 -3.2539 -3.2539 -2.9623 -2.9623 6.1738 6.1738 7.2738 7.2738 7.3097 7.3097 8.3403 8.3403 8.3718 8.3718 8.5694 8.5694 8.8369 8.8369 9.8826 9.8826 9.9194 9.9194 11.1210 11.1210 12.5777 12.5777 12.6138 12.6138 13.0863 13.0863 14.9613 14.9613 k = 0.0000 0.3333-0.0000 ( 4556 PWs) bands (ev): -60.3017 -60.3017 -32.3481 -32.3481 -31.3722 -31.3722 -31.3630 -31.3630 -21.6201 -21.6201 -7.2640 -7.2640 -5.9004 -5.9004 -5.8331 -5.8331 -4.2468 -4.2468 -3.2514 -3.2514 -2.9474 -2.9474 6.1235 6.1235 7.2749 7.2749 7.3089 7.3089 8.3002 8.3002 8.3332 8.3332 8.5165 8.5165 8.8108 8.8108 9.8726 9.8726 9.9090 9.9090 11.1223 11.1223 12.6252 12.6252 12.6614 12.6614 13.0867 13.0867 15.0204 15.0204 k = 0.0000 0.3452-0.0000 ( 4552 PWs) bands (ev): -60.3014 -60.3014 -32.3482 -32.3482 -31.3725 -31.3725 -31.3629 -31.3629 -21.6190 -21.6190 -7.2716 -7.2716 -5.8935 -5.8935 -5.8316 -5.8316 -4.2416 -4.2416 -3.2490 -3.2490 -2.9332 -2.9332 6.0756 6.0756 7.2763 7.2763 7.3084 7.3084 8.2629 8.2629 8.2973 8.2973 8.4670 8.4670 8.7860 8.7860 9.8632 9.8632 9.8992 9.8992 11.1253 11.1253 12.6734 12.6734 12.7096 12.7096 13.0877 13.0877 15.0771 15.0771 k = 0.0000 0.3571-0.0000 ( 4552 PWs) bands (ev): -60.3014 -60.3014 -32.3484 -32.3484 -31.3728 -31.3728 -31.3629 -31.3629 -21.6180 -21.6180 -7.2791 -7.2791 -5.8864 -5.8864 -5.8302 -5.8302 -4.2368 -4.2368 -3.2467 -3.2467 -2.9198 -2.9198 6.0302 6.0302 7.2777 7.2777 7.3079 7.3079 8.2275 8.2275 8.2635 8.2635 8.4208 8.4208 8.7627 8.7627 9.8544 9.8544 9.8901 9.8901 11.1280 11.1280 12.7176 12.7176 12.7538 12.7538 13.0882 13.0882 15.1291 15.1291 k = 0.0000 0.3690-0.0000 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3483 -32.3483 -31.3730 -31.3730 -31.3626 -31.3626 -21.6170 -21.6170 -7.2862 -7.2862 -5.8794 -5.8794 -5.8288 -5.8288 -4.2324 -4.2324 -3.2445 -3.2445 -2.9073 -2.9073 5.9883 5.9883 7.2794 7.2794 7.3077 7.3077 8.1947 8.1947 8.2322 8.2322 8.3781 8.3781 8.7409 8.7409 9.8462 9.8462 9.8816 9.8816 11.1352 11.1352 12.7602 12.7602 12.7965 12.7965 13.0923 13.0923 15.1814 15.1814 k = 0.0000 0.3810-0.0000 ( 4536 PWs) bands (ev): -60.2999 -60.2999 -32.3484 -32.3484 -31.3733 -31.3733 -31.3625 -31.3625 -21.6161 -21.6161 -7.2931 -7.2931 -5.8725 -5.8725 -5.8275 -5.8275 -4.2284 -4.2284 -3.2425 -3.2425 -2.8957 -2.8957 5.9481 5.9481 7.2812 7.2812 7.3077 7.3077 8.1640 8.1640 8.2031 8.2031 8.3388 8.3388 8.7208 8.7208 9.8386 9.8386 9.8737 9.8737 11.1369 11.1369 12.8000 12.8000 12.8362 12.8362 13.0955 13.0955 15.2195 15.2195 k = 0.0000 0.3929-0.0000 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3485 -32.3485 -31.3736 -31.3736 -31.3625 -31.3625 -21.6153 -21.6153 -7.2996 -7.2996 -5.8658 -5.8658 -5.8264 -5.8264 -4.2247 -4.2247 -3.2406 -3.2406 -2.8851 -2.8851 5.9116 5.9116 7.2830 7.2830 7.3077 7.3077 8.1358 8.1358 8.1763 8.1763 8.3031 8.3031 8.7023 8.7023 9.8317 9.8317 9.8666 9.8666 11.1391 11.1391 12.8347 12.8347 12.8708 12.8708 13.0960 13.0960 15.2595 15.2595 k = 0.0000 0.4048-0.0000 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3486 -32.3486 -31.3739 -31.3739 -31.3625 -31.3625 -21.6146 -21.6146 -7.3055 -7.3055 -5.8595 -5.8595 -5.8254 -5.8254 -4.2214 -4.2214 -3.2389 -3.2389 -2.8754 -2.8754 5.8785 5.8785 7.2848 7.2848 7.3077 7.3077 8.1102 8.1102 8.1522 8.1522 8.2710 8.2710 8.6856 8.6856 9.8255 9.8255 9.8602 9.8602 11.1411 11.1411 12.8661 12.8661 12.9019 12.9019 13.0967 13.0967 15.2956 15.2956 k = 0.0000 0.4167-0.0000 ( 4528 PWs) bands (ev): -60.2993 -60.2993 -32.3486 -32.3486 -31.3739 -31.3739 -31.3624 -31.3624 -21.6139 -21.6139 -7.3109 -7.3109 -5.8536 -5.8536 -5.8244 -5.8244 -4.2186 -4.2186 -3.2374 -3.2374 -2.8668 -2.8668 5.8494 5.8494 7.2867 7.2867 7.3079 7.3079 8.0876 8.0876 8.1309 8.1309 8.2426 8.2426 8.6707 8.6707 9.8199 9.8199 9.8544 9.8544 11.1429 11.1429 12.8953 12.8953 12.9308 12.9308 13.0975 13.0975 15.3328 15.3328 k = 0.0000 0.4286-0.0000 ( 4532 PWs) bands (ev): -60.2996 -60.2996 -32.3488 -32.3488 -31.3742 -31.3742 -31.3624 -31.3624 -21.6133 -21.6133 -7.3157 -7.3157 -5.8484 -5.8484 -5.8236 -5.8236 -4.2161 -4.2161 -3.2360 -3.2360 -2.8593 -2.8593 5.8233 5.8233 7.2884 7.2884 7.3081 7.3081 8.0672 8.0672 8.1119 8.1119 8.2179 8.2179 8.6577 8.6577 9.8151 9.8151 9.8494 9.8494 11.1443 11.1443 12.9186 12.9186 12.9536 12.9536 13.0983 13.0983 15.3592 15.3592 k = 0.0000 0.4405-0.0000 ( 4532 PWs) bands (ev): -60.2996 -60.2996 -32.3488 -32.3488 -31.3743 -31.3743 -31.3624 -31.3624 -21.6128 -21.6128 -7.3198 -7.3198 -5.8437 -5.8437 -5.8229 -5.8229 -4.2140 -4.2140 -3.2349 -3.2349 -2.8529 -2.8529 5.8011 5.8011 7.2900 7.2900 7.3084 7.3084 8.0500 8.0500 8.0958 8.0958 8.1969 8.1969 8.6466 8.6466 9.8110 9.8110 9.8452 9.8452 11.1457 11.1457 12.9394 12.9394 12.9739 12.9739 13.0991 13.0991 15.3827 15.3827 k = 0.0000 0.4524-0.0000 ( 4528 PWs) bands (ev): -60.2993 -60.2993 -32.3488 -32.3488 -31.3744 -31.3744 -31.3623 -31.3623 -21.6123 -21.6123 -7.3233 -7.3233 -5.8398 -5.8398 -5.8223 -5.8223 -4.2122 -4.2122 -3.2339 -3.2339 -2.8477 -2.8477 5.7828 5.7828 7.2914 7.2914 7.3086 7.3086 8.0360 8.0360 8.0828 8.0828 8.1797 8.1797 8.6375 8.6375 9.8077 9.8077 9.8417 9.8417 11.1468 11.1468 12.9577 12.9577 12.9916 12.9916 13.1012 13.1012 15.4021 15.4021 k = 0.0000 0.4643-0.0000 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3488 -32.3488 -31.3743 -31.3743 -31.3624 -31.3624 -21.6120 -21.6120 -7.3260 -7.3260 -5.8367 -5.8367 -5.8218 -5.8218 -4.2109 -4.2109 -3.2332 -3.2332 -2.8435 -2.8435 5.7686 5.7686 7.2926 7.2926 7.3089 7.3089 8.0256 8.0256 8.0731 8.0731 8.1663 8.1663 8.6303 8.6303 9.8050 9.8050 9.8390 9.8390 11.1448 11.1448 12.9736 12.9736 13.0065 13.0065 13.1002 13.1002 15.4206 15.4206 k = 0.0000 0.4762-0.0000 ( 4520 PWs) bands (ev): -60.2986 -60.2986 -32.3488 -32.3488 -31.3743 -31.3743 -31.3624 -31.3624 -21.6118 -21.6118 -7.3279 -7.3279 -5.8345 -5.8345 -5.8215 -5.8215 -4.2099 -4.2099 -3.2326 -3.2326 -2.8406 -2.8406 5.7586 5.7586 7.2934 7.2934 7.3091 7.3091 8.0177 8.0177 8.0658 8.0658 8.1568 8.1568 8.6252 8.6252 9.8031 9.8031 9.8370 9.8370 11.1454 11.1454 12.9837 12.9837 13.0159 13.0159 13.1011 13.1011 15.4341 15.4341 k = 0.0000 0.4881-0.0000 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3489 -32.3489 -31.3744 -31.3744 -31.3624 -31.3624 -21.6116 -21.6116 -7.3291 -7.3291 -5.8331 -5.8331 -5.8213 -5.8213 -4.2094 -4.2094 -3.2323 -3.2323 -2.8388 -2.8388 5.7524 5.7524 7.2939 7.2939 7.3092 7.3092 8.0126 8.0126 8.0611 8.0611 8.1510 8.1510 8.6221 8.6221 9.8020 9.8020 9.8359 9.8359 11.1458 11.1458 12.9882 12.9882 13.0199 13.0199 13.1009 13.1009 15.4400 15.4400 k = 0.0000 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3489 -32.3489 -31.3744 -31.3744 -31.3624 -31.3624 -21.6116 -21.6116 -7.3295 -7.3295 -5.8327 -5.8327 -5.8213 -5.8213 -4.2092 -4.2092 -3.2322 -3.2322 -2.8382 -2.8382 5.7503 5.7503 7.2941 7.2941 7.3092 7.3092 8.0110 8.0110 8.0596 8.0596 8.1491 8.1491 8.6211 8.6211 9.8016 9.8016 9.8355 9.8355 11.1459 11.1459 12.9901 12.9901 13.0217 13.0217 13.1011 13.1011 15.4421 15.4421 k = 0.0000 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3489 -32.3489 -31.3744 -31.3744 -31.3624 -31.3624 -21.6116 -21.6116 -7.3295 -7.3295 -5.8327 -5.8327 -5.8213 -5.8213 -4.2092 -4.2092 -3.2322 -3.2322 -2.8382 -2.8382 5.7503 5.7503 7.2941 7.2941 7.3092 7.3092 8.0110 8.0110 8.0596 8.0596 8.1491 8.1491 8.6211 8.6211 9.8016 9.8016 9.8355 9.8355 11.1459 11.1459 12.9901 12.9901 13.0217 13.0217 13.1011 13.1011 15.4421 15.4421 k = 0.0119 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3489 -32.3489 -31.3744 -31.3744 -31.3625 -31.3625 -21.6116 -21.6116 -7.3287 -7.3287 -5.8334 -5.8334 -5.8213 -5.8213 -4.2089 -4.2089 -3.2320 -3.2320 -2.8386 -2.8386 5.7502 5.7502 7.2935 7.2935 7.3086 7.3086 7.9853 7.9853 8.0434 8.0434 8.1847 8.1847 8.6279 8.6279 9.7976 9.7976 9.8312 9.8312 11.1508 11.1508 12.9900 12.9900 13.0219 13.0219 13.1050 13.1050 15.4443 15.4443 k = 0.0238 0.5000-0.0000 ( 4520 PWs) bands (ev): -60.2986 -60.2986 -32.3489 -32.3489 -31.3744 -31.3744 -31.3624 -31.3624 -21.6114 -21.6114 -7.3263 -7.3263 -5.8355 -5.8355 -5.8212 -5.8212 -4.2080 -4.2080 -3.2312 -3.2312 -2.8396 -2.8396 5.7498 5.7498 7.2911 7.2911 7.3074 7.3074 7.9185 7.9185 8.0348 8.0348 8.2413 8.2413 8.6484 8.6484 9.7855 9.7855 9.8187 9.8187 11.1654 11.1654 12.9904 12.9904 13.0234 13.0234 13.1187 13.1187 15.4507 15.4507 k = 0.0357 0.5000-0.0000 ( 4516 PWs) bands (ev): -60.2982 -60.2982 -32.3488 -32.3488 -31.3743 -31.3743 -31.3624 -31.3624 -21.6113 -21.6113 -7.3224 -7.3224 -5.8390 -5.8390 -5.8212 -5.8212 -4.2066 -4.2066 -3.2300 -3.2300 -2.8413 -2.8413 5.7489 5.7489 7.2860 7.2860 7.3066 7.3066 7.8396 7.8396 8.0297 8.0297 8.2937 8.2937 8.6833 8.6833 9.7660 9.7660 9.7984 9.7984 11.1915 11.1915 12.9916 12.9916 13.0256 13.0256 13.1350 13.1350 15.4608 15.4608 k = 0.0476 0.5000-0.0000 ( 4530 PWs) bands (ev): -60.2994 -60.2994 -32.3491 -32.3491 -31.3745 -31.3745 -31.3627 -31.3627 -21.6110 -21.6110 -7.3169 -7.3169 -5.8438 -5.8438 -5.8213 -5.8213 -4.2047 -4.2047 -3.2283 -3.2283 -2.8437 -2.8437 5.7474 5.7474 7.2774 7.2774 7.3066 7.3066 7.7560 7.7560 8.0238 8.0238 8.3373 8.3373 8.7318 8.7318 9.7396 9.7396 9.7711 9.7711 11.2185 11.2185 12.9884 12.9884 13.0236 13.0236 13.1598 13.1598 15.4738 15.4738 k = 0.0595 0.5000-0.0000 ( 4534 PWs) bands (ev): -60.2998 -60.2998 -32.3492 -32.3492 -31.3746 -31.3746 -31.3629 -31.3629 -21.6107 -21.6107 -7.3098 -7.3098 -5.8500 -5.8500 -5.8213 -5.8213 -4.2022 -4.2022 -3.2261 -3.2261 -2.8467 -2.8467 5.7460 5.7460 7.2654 7.2654 7.3075 7.3075 7.6713 7.6713 8.0167 8.0167 8.3730 8.3730 8.7923 8.7923 9.7072 9.7072 9.7378 9.7378 11.2546 11.2546 12.9868 12.9868 13.0229 13.0229 13.1937 13.1937 15.4925 15.4925 k = 0.0714 0.5000-0.0000 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3493 -32.3493 -31.3748 -31.3748 -31.3631 -31.3631 -21.6103 -21.6103 -7.3013 -7.3013 -5.8574 -5.8574 -5.8214 -5.8214 -4.1992 -4.1992 -3.2235 -3.2235 -2.8503 -2.8503 5.7442 5.7442 7.2500 7.2500 7.3091 7.3091 7.5857 7.5857 8.0079 8.0079 8.4025 8.4025 8.8615 8.8615 9.6700 9.6700 9.6996 9.6996 11.2965 11.2965 12.9830 12.9830 13.0199 13.0199 13.2351 13.2351 15.5146 15.5146 k = 0.0833 0.5000-0.0000 ( 4538 PWs) bands (ev): -60.3001 -60.3001 -32.3494 -32.3494 -31.3748 -31.3748 -31.3632 -31.3632 -21.6098 -21.6098 -7.2912 -7.2912 -5.8660 -5.8660 -5.8216 -5.8216 -4.1958 -4.1958 -3.2205 -3.2205 -2.8545 -2.8545 5.7424 5.7424 7.2311 7.2311 7.3111 7.3111 7.5005 7.5005 7.9985 7.9985 8.4282 8.4282 8.9370 8.9370 9.6287 9.6287 9.6577 9.6577 11.3461 11.3461 12.9820 12.9820 13.0197 13.0197 13.2812 13.2812 15.5429 15.5429 k = 0.0952 0.5000-0.0000 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3494 -32.3494 -31.3748 -31.3748 -31.3633 -31.3633 -21.6093 -21.6093 -7.2795 -7.2795 -5.8757 -5.8757 -5.8220 -5.8220 -4.1920 -4.1920 -3.2170 -3.2170 -2.8592 -2.8592 5.7402 5.7402 7.2088 7.2088 7.3135 7.3135 7.4158 7.4158 7.9877 7.9877 8.4517 8.4517 9.0163 9.0163 9.5844 9.5844 9.6131 9.6131 11.4027 11.4027 12.9808 12.9808 13.0190 13.0190 13.3264 13.3264 15.5741 15.5741 k = 0.1071 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3003 -60.3003 -32.3496 -32.3496 -31.3750 -31.3750 -31.3635 -31.3635 -21.6087 -21.6087 -7.2664 -7.2664 -5.8864 -5.8864 -5.8226 -5.8226 -4.1878 -4.1878 -3.2131 -3.2131 -2.8644 -2.8644 5.7378 5.7378 7.1830 7.1830 7.3153 7.3153 7.3325 7.3325 7.9756 7.9756 8.4741 8.4741 9.0977 9.0977 9.5375 9.5375 9.5668 9.5668 11.4593 11.4593 12.9774 12.9774 13.0166 13.0166 13.3753 13.3753 15.6115 15.6115 k = 0.1190 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3003 -60.3003 -32.3497 -32.3497 -31.3751 -31.3751 -31.3636 -31.3636 -21.6080 -21.6080 -7.2519 -7.2519 -5.8982 -5.8982 -5.8233 -5.8233 -4.1833 -4.1833 -3.2088 -3.2088 -2.8701 -2.8701 5.7352 5.7352 7.1536 7.1536 7.2476 7.2476 7.3203 7.3203 7.9619 7.9619 8.4963 8.4963 9.1803 9.1803 9.4888 9.4888 9.5201 9.5201 11.5186 11.5186 12.9748 12.9748 13.0138 13.0138 13.4292 13.4292 15.6533 15.6533 k = 0.1310 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3003 -60.3003 -32.3498 -32.3498 -31.3752 -31.3752 -31.3638 -31.3638 -21.6073 -21.6073 -7.2359 -7.2359 -5.9108 -5.9108 -5.8244 -5.8244 -4.1785 -4.1785 -3.2042 -3.2042 -2.8761 -2.8761 5.7324 5.7324 7.1204 7.1204 7.1657 7.1657 7.3238 7.3238 7.9474 7.9474 8.5187 8.5187 9.2630 9.2630 9.4386 9.4386 9.4739 9.4739 11.5805 11.5805 12.9720 12.9720 13.0114 13.0114 13.4814 13.4814 15.7007 15.7007 k = 0.1429 0.5000-0.0000 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3499 -32.3499 -31.3752 -31.3752 -31.3640 -31.3640 -21.6066 -21.6066 -7.2186 -7.2186 -5.9242 -5.9242 -5.8258 -5.8258 -4.1735 -4.1735 -3.1993 -3.1993 -2.8824 -2.8824 5.7292 5.7292 7.0800 7.0800 7.0886 7.0886 7.3279 7.3279 7.9324 7.9324 8.5415 8.5415 9.3456 9.3456 9.3874 9.3874 9.4292 9.4292 11.6445 11.6445 12.9715 12.9715 13.0109 13.0109 13.5326 13.5326 15.7520 15.7520 k = 0.1548 0.5000-0.0000 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3500 -32.3500 -31.3753 -31.3753 -31.3642 -31.3642 -21.6058 -21.6058 -7.1999 -7.1999 -5.9383 -5.9383 -5.8277 -5.8277 -4.1683 -4.1683 -3.1940 -3.1940 -2.8890 -2.8890 5.7255 5.7255 7.0050 7.0050 7.0441 7.0441 7.3322 7.3322 7.9162 7.9162 8.5649 8.5649 9.3352 9.3352 9.3866 9.3866 9.4274 9.4274 11.7073 11.7073 12.9715 12.9715 13.0101 13.0101 13.5827 13.5827 15.8067 15.8067 k = 0.1667 0.5000-0.0000 ( 4530 PWs) bands (ev): -60.2995 -60.2995 -32.3501 -32.3501 -31.3753 -31.3753 -31.3644 -31.3644 -21.6049 -21.6049 -7.1798 -7.1798 -5.9530 -5.9530 -5.8300 -5.8300 -4.1629 -4.1629 -3.1885 -3.1885 -2.8957 -2.8957 5.7218 5.7218 6.9276 6.9276 7.0001 7.0001 7.3370 7.3370 7.8993 7.8993 8.5889 8.5889 9.2827 9.2827 9.3469 9.3469 9.5079 9.5079 11.7723 11.7723 12.9719 12.9719 13.0101 13.0101 13.6319 13.6319 15.8683 15.8683 k = 0.1786 0.5000-0.0000 ( 4534 PWs) bands (ev): -60.2998 -60.2998 -32.3502 -32.3502 -31.3754 -31.3754 -31.3647 -31.3647 -21.6040 -21.6040 -7.1585 -7.1585 -5.9682 -5.9682 -5.8329 -5.8329 -4.1574 -4.1574 -3.1828 -3.1828 -2.9026 -2.9026 5.7174 5.7174 6.8516 6.8516 6.9529 6.9529 7.3420 7.3420 7.8815 7.8815 8.6135 8.6135 9.2301 9.2301 9.3101 9.3101 9.5867 9.5867 11.8372 11.8372 12.9714 12.9714 13.0091 13.0091 13.6746 13.6746 15.9316 15.9316 k = 0.1905 0.5000-0.0000 ( 4530 PWs) bands (ev): -60.2995 -60.2995 -32.3503 -32.3503 -31.3755 -31.3755 -31.3648 -31.3648 -21.6031 -21.6031 -7.1359 -7.1359 -5.9838 -5.9838 -5.8364 -5.8364 -4.1518 -4.1518 -3.1768 -3.1768 -2.9095 -2.9095 5.7127 5.7127 6.7777 6.7777 6.9029 6.9029 7.3474 7.3474 7.8633 7.8633 8.6387 8.6387 9.1778 9.1778 9.2765 9.2765 9.6637 9.6637 11.9023 11.9023 12.9726 12.9726 13.0101 13.0101 13.7192 13.7192 15.9980 15.9980 k = 0.2024 0.5000-0.0000 ( 4526 PWs) bands (ev): -60.2991 -60.2991 -32.3504 -32.3504 -31.3756 -31.3756 -31.3650 -31.3650 -21.6022 -21.6022 -7.1122 -7.1122 -5.9997 -5.9997 -5.8406 -5.8406 -4.1462 -4.1462 -3.1708 -3.1708 -2.9164 -2.9164 5.7078 5.7078 6.7056 6.7056 6.8501 6.8501 7.3532 7.3532 7.8447 7.8447 8.6643 8.6643 9.1260 9.1260 9.2464 9.2464 9.7385 9.7385 11.9681 11.9681 12.9738 12.9738 13.0118 13.0118 13.7598 13.7598 16.0680 16.0680 k = 0.2143 0.5000-0.0000 ( 4534 PWs) bands (ev): -60.2998 -60.2998 -32.3507 -32.3507 -31.3759 -31.3759 -31.3653 -31.3653 -21.6012 -21.6012 -7.0874 -7.0874 -6.0159 -6.0159 -5.8455 -5.8455 -4.1406 -4.1406 -3.1646 -3.1646 -2.9233 -2.9233 5.7023 5.7023 6.6350 6.6350 6.7949 6.7949 7.3593 7.3593 7.8252 7.8252 8.6902 8.6902 9.0747 9.0747 9.2198 9.2198 9.8108 9.8108 12.0330 12.0330 12.9717 12.9717 13.0108 13.0108 13.7962 13.7962 16.1381 16.1381 k = 0.2262 0.5000-0.0000 ( 4530 PWs) bands (ev): -60.2995 -60.2995 -32.3508 -32.3508 -31.3760 -31.3760 -31.3654 -31.3654 -21.6002 -21.6002 -7.0614 -7.0614 -6.0322 -6.0322 -5.8513 -5.8513 -4.1351 -4.1351 -3.1583 -3.1583 -2.9300 -2.9300 5.6965 5.6965 6.5669 6.5669 6.7388 6.7388 7.3657 7.3657 7.8058 7.8058 8.7165 8.7165 9.0243 9.0243 9.1966 9.1966 9.8806 9.8806 12.0967 12.0967 12.9718 12.9718 13.0133 13.0133 13.8329 13.8329 16.2142 16.2142 k = 0.2381 0.5000-0.0000 ( 4538 PWs) bands (ev): -60.3001 -60.3001 -32.3511 -32.3511 -31.3763 -31.3763 -31.3657 -31.3657 -21.5992 -21.5992 -7.0344 -7.0344 -6.0484 -6.0484 -5.8580 -5.8580 -4.1295 -4.1295 -3.1521 -3.1521 -2.9365 -2.9365 5.6899 5.6899 6.5007 6.5007 6.6808 6.6808 7.3723 7.3723 7.7863 7.7863 8.7430 8.7430 8.9746 8.9746 9.1766 9.1766 9.9475 9.9475 12.1582 12.1582 12.9712 12.9712 13.0149 13.0149 13.8632 13.8632 16.2879 16.2879 k = 0.2500 0.5000-0.0000 ( 4538 PWs) bands (ev): -60.3002 -60.3002 -32.3512 -32.3512 -31.3765 -31.3765 -31.3659 -31.3659 -21.5982 -21.5982 -7.0065 -7.0065 -6.0647 -6.0647 -5.8656 -5.8656 -4.1240 -4.1240 -3.1458 -3.1458 -2.9427 -2.9427 5.6829 5.6829 6.4371 6.4371 6.6223 6.6223 7.3793 7.3793 7.7667 7.7667 8.7694 8.7694 8.9263 8.9263 9.1596 9.1596 10.0115 10.0115 12.2196 12.2196 12.9711 12.9711 13.0200 13.0200 13.8927 13.8927 16.3645 16.3645 k = 0.2619 0.5000-0.0000 ( 4538 PWs) bands (ev): -60.3002 -60.3002 -32.3514 -32.3514 -31.3767 -31.3767 -31.3661 -31.3661 -21.5972 -21.5972 -6.9776 -6.9776 -6.0808 -6.0808 -5.8742 -5.8742 -4.1187 -4.1187 -3.1397 -3.1397 -2.9487 -2.9487 5.6752 5.6752 6.3759 6.3759 6.5638 6.5638 7.3864 7.3864 7.7473 7.7473 8.7957 8.7957 8.8793 8.8793 9.1455 9.1455 10.0725 10.0725 12.2798 12.2798 12.9707 12.9707 13.0265 13.0265 13.9196 13.9196 16.4414 16.4414 k = 0.2738 0.5000-0.0000 ( 4532 PWs) bands (ev): -60.2997 -60.2997 -32.3515 -32.3515 -31.3769 -31.3769 -31.3662 -31.3662 -21.5962 -21.5962 -6.9479 -6.9479 -6.0966 -6.0966 -5.8840 -5.8840 -4.1134 -4.1134 -3.1337 -3.1337 -2.9542 -2.9542 5.6670 5.6670 6.3170 6.3170 6.5063 6.5063 7.3942 7.3942 7.7283 7.7283 8.8206 8.8206 8.8350 8.8350 9.1341 9.1341 10.1302 10.1302 12.3426 12.3426 12.9707 12.9707 13.0327 13.0327 13.9439 13.9439 16.5194 16.5194 k = 0.2857 0.5000-0.0000 ( 4532 PWs) bands (ev): -60.2997 -60.2997 -32.3517 -32.3517 -31.3771 -31.3771 -31.3663 -31.3663 -21.5952 -21.5952 -6.9174 -6.9174 -6.1122 -6.1122 -5.8948 -5.8948 -4.1083 -4.1083 -3.1278 -3.1278 -2.9594 -2.9594 5.6576 5.6576 6.2609 6.2609 6.4495 6.4495 7.4019 7.4019 7.7093 7.7093 8.7887 8.7887 8.8482 8.8482 9.1250 9.1250 10.1847 10.1847 12.3990 12.3990 12.9702 12.9702 13.0420 13.0420 13.9662 13.9662 16.5952 16.5952 k = 0.2976 0.5000-0.0000 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3520 -32.3520 -31.3775 -31.3775 -31.3666 -31.3666 -21.5943 -21.5943 -6.8862 -6.8862 -6.1274 -6.1274 -5.9069 -5.9069 -4.1033 -4.1033 -3.1222 -3.1222 -2.9641 -2.9641 5.6470 5.6470 6.2068 6.2068 6.3942 6.3942 7.4096 7.4096 7.6906 7.6906 8.7458 8.7458 8.8733 8.8733 9.1179 9.1179 10.2357 10.2357 12.4520 12.4520 12.9685 12.9685 13.0483 13.0483 13.9838 13.9838 16.6675 16.6675 k = 0.3095 0.5000-0.0000 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3521 -32.3521 -31.3777 -31.3777 -31.3668 -31.3668 -21.5933 -21.5933 -6.8543 -6.8543 -6.1421 -6.1421 -5.9201 -5.9201 -4.0985 -4.0985 -3.1168 -3.1168 -2.9684 -2.9684 5.6356 5.6356 6.1559 6.1559 6.3415 6.3415 7.4176 7.4176 7.6725 7.6725 8.7046 8.7046 8.8979 8.8979 9.1128 9.1128 10.2834 10.2834 12.5046 12.5046 12.9676 12.9676 13.0598 13.0598 14.0020 14.0020 16.7403 16.7403 k = 0.3214 0.5000-0.0000 ( 4546 PWs) bands (ev): -60.3009 -60.3009 -32.3523 -32.3523 -31.3781 -31.3781 -31.3668 -31.3668 -21.5924 -21.5924 -6.8219 -6.8219 -6.1563 -6.1563 -5.9345 -5.9345 -4.0938 -4.0938 -3.1118 -3.1118 -2.9721 -2.9721 5.6233 5.6233 6.1074 6.1074 6.2915 6.2915 7.4257 7.4257 7.6550 7.6550 8.6650 8.6650 8.9218 8.9218 9.1093 9.1093 10.3277 10.3277 12.5554 12.5554 12.9665 12.9665 13.0688 13.0688 14.0201 14.0201 16.8102 16.8102 k = 0.3333 0.5000-0.0000 ( 4538 PWs) bands (ev): -60.3002 -60.3002 -32.3524 -32.3524 -31.3782 -31.3782 -31.3668 -31.3668 -21.5915 -21.5915 -6.7890 -6.7890 -6.1700 -6.1700 -5.9502 -5.9502 -4.0893 -4.0893 -3.1071 -3.1071 -2.9753 -2.9753 5.6097 5.6097 6.0622 6.0622 6.2454 6.2454 7.4343 7.4343 7.6382 7.6382 8.6274 8.6274 8.9447 8.9447 9.1072 9.1072 10.3687 10.3687 12.6067 12.6067 12.9659 12.9659 13.0834 13.0834 14.0353 14.0353 16.8798 16.8798 k = 0.3452 0.5000-0.0000 ( 4544 PWs) bands (ev): -60.3008 -60.3008 -32.3526 -32.3526 -31.3785 -31.3785 -31.3670 -31.3670 -21.5907 -21.5907 -6.7556 -6.7556 -6.1830 -6.1830 -5.9671 -5.9671 -4.0851 -4.0851 -3.1028 -3.1028 -2.9781 -2.9781 5.5946 5.5946 6.0196 6.0196 6.2023 6.2023 7.4423 7.4423 7.6221 7.6221 8.5914 8.5914 8.9666 8.9666 9.1063 9.1063 10.4062 10.4062 12.6499 12.6499 12.9644 12.9644 13.0959 13.0959 14.0477 14.0477 16.9436 16.9436 k = 0.3571 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3004 -60.3004 -32.3527 -32.3527 -31.3786 -31.3786 -31.3671 -31.3671 -21.5899 -21.5899 -6.7219 -6.7219 -6.1953 -6.1953 -5.9852 -5.9852 -4.0810 -4.0810 -3.0990 -3.0990 -2.9803 -2.9803 5.5786 5.5786 5.9803 5.9803 6.1636 6.1636 7.4505 7.4505 7.6066 7.6066 8.5574 8.5574 8.9873 8.9873 9.1063 9.1063 10.4405 10.4405 12.6936 12.6936 12.9622 12.9622 13.1116 13.1116 14.0607 14.0607 17.0065 17.0065 k = 0.3690 0.5000-0.0000 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3527 -32.3527 -31.3787 -31.3787 -31.3670 -31.3670 -21.5891 -21.5891 -6.6879 -6.6879 -6.2070 -6.2070 -6.0045 -6.0045 -4.0772 -4.0772 -3.0955 -3.0955 -2.9820 -2.9820 5.5618 5.5618 5.9439 5.9439 6.1291 6.1291 7.4587 7.4587 7.5928 7.5928 8.5256 8.5256 9.0067 9.0067 9.1071 9.1071 10.4715 10.4715 12.7339 12.7339 12.9634 12.9634 13.1270 13.1270 14.0728 14.0728 17.0664 17.0664 k = 0.3810 0.5000-0.0000 ( 4536 PWs) bands (ev): -60.3001 -60.3001 -32.3529 -32.3529 -31.3790 -31.3790 -31.3672 -31.3672 -21.5884 -21.5884 -6.6537 -6.6537 -6.2179 -6.2179 -6.0249 -6.0249 -4.0737 -4.0737 -3.0925 -3.0925 -2.9833 -2.9833 5.5442 5.5442 5.9103 5.9103 6.0981 6.0981 7.4666 7.4666 7.5794 7.5794 8.4959 8.4959 9.0246 9.0246 9.1085 9.1085 10.4994 10.4994 12.7700 12.7700 12.9616 12.9616 13.1400 13.1400 14.0810 14.0810 17.1191 17.1191 k = 0.3929 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3005 -60.3005 -32.3530 -32.3530 -31.3792 -31.3792 -31.3673 -31.3673 -21.5877 -21.5877 -6.6196 -6.6196 -6.2280 -6.2280 -6.0465 -6.0465 -4.0704 -4.0704 -3.0899 -3.0899 -2.9842 -2.9842 5.5264 5.5264 5.8796 5.8796 6.0710 6.0710 7.4740 7.4740 7.5672 7.5672 8.4686 8.4686 9.0410 9.0410 9.1105 9.1105 10.5242 10.5242 12.8033 12.8033 12.9609 12.9609 13.1522 13.1522 14.0879 14.0879 17.1667 17.1667 k = 0.4048 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3005 -60.3005 -32.3531 -32.3531 -31.3794 -31.3794 -31.3673 -31.3673 -21.5871 -21.5871 -6.5854 -6.5854 -6.2375 -6.2375 -6.0689 -6.0689 -4.0674 -4.0674 -3.0877 -3.0877 -2.9847 -2.9847 5.5087 5.5087 5.8523 5.8523 6.0481 6.0481 7.4811 7.4811 7.5561 7.5561 8.4436 8.4436 9.0556 9.0556 9.1129 9.1129 10.5461 10.5461 12.8333 12.8333 12.9604 12.9604 13.1649 13.1649 14.0951 14.0951 17.2114 17.2114 k = 0.4167 0.5000-0.0000 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3531 -32.3531 -31.3795 -31.3795 -31.3673 -31.3673 -21.5866 -21.5866 -6.5514 -6.5514 -6.2463 -6.2463 -6.0921 -6.0921 -4.0647 -4.0647 -3.0858 -3.0858 -2.9850 -2.9850 5.4920 5.4920 5.8283 5.8283 6.0290 6.0290 7.4881 7.4881 7.5464 7.5464 8.4213 8.4213 9.0683 9.0683 9.1157 9.1157 10.5651 10.5651 12.8617 12.8617 12.9612 12.9612 13.1793 13.1793 14.1028 14.1028 17.2520 17.2520 k = 0.4286 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3005 -60.3005 -32.3533 -32.3533 -31.3797 -31.3797 -31.3674 -31.3674 -21.5861 -21.5861 -6.5176 -6.5176 -6.2545 -6.2545 -6.1158 -6.1158 -4.0624 -4.0624 -3.0843 -3.0843 -2.9851 -2.9851 5.4760 5.4760 5.8071 5.8071 6.0127 6.0127 7.4938 7.4938 7.5371 7.5371 8.4015 8.4015 9.0790 9.0790 9.1189 9.1189 10.5813 10.5813 12.8827 12.8827 12.9584 12.9584 13.1893 13.1893 14.1079 14.1079 17.2855 17.2855 k = 0.4405 0.5000-0.0000 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3533 -32.3533 -31.3798 -31.3798 -31.3674 -31.3674 -21.5857 -21.5857 -6.4844 -6.4844 -6.2625 -6.2625 -6.1396 -6.1396 -4.0604 -4.0604 -3.0831 -3.0831 -2.9850 -2.9850 5.4619 5.4619 5.7892 5.7892 5.9999 5.9999 7.4994 7.4994 7.5298 7.5298 8.3845 8.3845 9.0875 9.0875 9.1223 9.1223 10.5949 10.5949 12.9041 12.9041 12.9591 12.9591 13.1988 13.1988 14.1128 14.1128 17.3159 17.3159 k = 0.4524 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2992 -60.2992 -32.3532 -32.3532 -31.3796 -31.3796 -31.3673 -31.3673 -21.5854 -21.5854 -6.4517 -6.4517 -6.2709 -6.2709 -6.1627 -6.1627 -4.0587 -4.0587 -3.0822 -3.0822 -2.9848 -2.9848 5.4496 5.4496 5.7749 5.7749 5.9907 5.9907 7.5042 7.5042 7.5238 7.5238 8.3705 8.3705 9.0940 9.0940 9.1258 9.1258 10.6059 10.6059 12.9205 12.9205 12.9609 12.9609 13.2102 13.2102 14.1189 14.1189 17.3450 17.3450 k = 0.4643 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2992 -60.2992 -32.3532 -32.3532 -31.3797 -31.3797 -31.3673 -31.3673 -21.5851 -21.5851 -6.4199 -6.4199 -6.2805 -6.2805 -6.1838 -6.1838 -4.0574 -4.0574 -3.0815 -3.0815 -2.9846 -2.9846 5.4397 5.4397 5.7635 5.7635 5.9830 5.9830 7.5075 7.5075 7.5192 7.5192 8.3595 8.3595 9.0986 9.0986 9.1291 9.1291 10.6144 10.6144 12.9307 12.9307 12.9633 12.9633 13.2165 13.2165 14.1216 14.1216 17.3642 17.3642 k = 0.4762 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2992 -60.2992 -32.3533 -32.3533 -31.3798 -31.3798 -31.3673 -31.3673 -21.5849 -21.5849 -6.3895 -6.3895 -6.2931 -6.2931 -6.2010 -6.2010 -4.0564 -4.0564 -3.0810 -3.0810 -2.9845 -2.9845 5.4324 5.4324 5.7553 5.7553 5.9776 5.9776 7.5096 7.5096 7.5164 7.5164 8.3515 8.3515 9.1017 9.1017 9.1318 9.1318 10.6204 10.6204 12.9367 12.9367 12.9663 12.9663 13.2211 13.2211 14.1235 14.1235 17.3781 17.3781 k = 0.4881 0.5000-0.0000 ( 4532 PWs) bands (ev): -60.2999 -60.2999 -32.3534 -32.3534 -31.3799 -31.3799 -31.3675 -31.3675 -21.5848 -21.5848 -6.3615 -6.3615 -6.3096 -6.3096 -6.2121 -6.2121 -4.0559 -4.0559 -3.0807 -3.0807 -2.9844 -2.9844 5.4277 5.4277 5.7503 5.7503 5.9741 5.9741 7.5099 7.5099 7.5151 7.5151 8.3467 8.3467 9.1034 9.1034 9.1335 9.1335 10.6239 10.6239 12.9384 12.9384 12.9675 12.9675 13.2232 13.2232 14.1224 14.1224 17.3844 17.3844 k = 0.5000 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3006 -60.3006 -32.3535 -32.3535 -31.3800 -31.3800 -31.3676 -31.3676 -21.5848 -21.5848 -6.3430 -6.3430 -6.3243 -6.3243 -6.2159 -6.2159 -4.0557 -4.0557 -3.0806 -3.0806 -2.9843 -2.9843 5.4261 5.4261 5.7486 5.7486 5.9724 5.9724 7.5096 7.5096 7.5147 7.5147 8.3451 8.3451 9.1039 9.1039 9.1341 9.1341 10.6251 10.6251 12.9376 12.9376 12.9668 12.9668 13.2235 13.2235 14.1219 14.1219 17.3841 17.3841 k = 0.5000 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3006 -60.3006 -32.3535 -32.3535 -31.3800 -31.3800 -31.3676 -31.3676 -21.5848 -21.5848 -6.3430 -6.3430 -6.3243 -6.3243 -6.2159 -6.2159 -4.0557 -4.0557 -3.0806 -3.0806 -2.9843 -2.9843 5.4261 5.4261 5.7486 5.7486 5.9724 5.9724 7.5096 7.5096 7.5147 7.5147 8.3451 8.3451 9.1039 9.1039 9.1341 9.1341 10.6251 10.6251 12.9376 12.9376 12.9668 12.9668 13.2235 13.2235 14.1219 14.1219 17.3841 17.3841 k = 0.4915 0.4915-0.0000 ( 4522 PWs) bands (ev): -60.2990 -60.2990 -32.3533 -32.3533 -31.3798 -31.3798 -31.3673 -31.3673 -21.5848 -21.5848 -6.3616 -6.3616 -6.3095 -6.3095 -6.2120 -6.2120 -4.0559 -4.0559 -3.0807 -3.0807 -2.9844 -2.9844 5.4279 5.4279 5.7504 5.7504 5.9747 5.9747 7.5103 7.5103 7.5156 7.5156 8.3467 8.3467 9.1034 9.1034 9.1335 9.1335 10.6239 10.6239 12.9405 12.9405 12.9696 12.9696 13.2239 13.2239 14.1239 14.1239 17.3874 17.3874 k = 0.4831 0.4831-0.0000 ( 4522 PWs) bands (ev): -60.2990 -60.2990 -32.3533 -32.3533 -31.3797 -31.3797 -31.3673 -31.3673 -21.5849 -21.5849 -6.3896 -6.3896 -6.2934 -6.2934 -6.2006 -6.2006 -4.0564 -4.0564 -3.0810 -3.0810 -2.9845 -2.9845 5.4325 5.4325 5.7554 5.7554 5.9778 5.9778 7.5092 7.5092 7.5171 7.5171 8.3516 8.3516 9.1015 9.1015 9.1319 9.1319 10.6203 10.6203 12.9377 12.9377 12.9668 12.9668 13.2210 13.2210 14.1228 14.1228 17.3789 17.3789 k = 0.4746 0.4746-0.0000 ( 4522 PWs) bands (ev): -60.2990 -60.2990 -32.3532 -32.3532 -31.3797 -31.3797 -31.3673 -31.3673 -21.5851 -21.5851 -6.4196 -6.4196 -6.2822 -6.2822 -6.1825 -6.1825 -4.0574 -4.0574 -3.0815 -3.0815 -2.9847 -2.9847 5.4399 5.4399 5.7638 5.7638 5.9831 5.9831 7.5062 7.5062 7.5209 7.5209 8.3596 8.3596 9.0978 9.0978 9.1299 9.1299 10.6143 10.6143 12.9331 12.9331 12.9622 12.9622 13.2162 13.2162 14.1209 14.1209 17.3648 17.3648 k = 0.4661 0.4661-0.0000 ( 4526 PWs) bands (ev): -60.2994 -60.2994 -32.3532 -32.3532 -31.3797 -31.3797 -31.3673 -31.3673 -21.5854 -21.5854 -6.4505 -6.4505 -6.2747 -6.2747 -6.1601 -6.1601 -4.0587 -4.0587 -3.0821 -3.0821 -2.9849 -2.9849 5.4502 5.4502 5.7754 5.7754 5.9903 5.9903 7.5016 7.5016 7.5268 7.5268 8.3707 8.3707 9.0917 9.0917 9.1281 9.1281 10.6059 10.6059 12.9264 12.9264 12.9557 12.9557 13.2073 13.2073 14.1172 14.1172 17.3449 17.3449 k = 0.4576 0.4576-0.0000 ( 4530 PWs) bands (ev): -60.2997 -60.2997 -32.3532 -32.3532 -31.3797 -31.3797 -31.3673 -31.3673 -21.5857 -21.5857 -6.4820 -6.4820 -6.2691 -6.2691 -6.1355 -6.1355 -4.0604 -4.0604 -3.0830 -3.0830 -2.9852 -2.9852 5.4633 5.4633 5.7905 5.7905 5.9994 5.9994 7.4959 7.4959 7.5344 7.5344 8.3847 8.3847 9.0829 9.0829 9.1271 9.1271 10.5953 10.5953 12.9178 12.9178 12.9475 12.9475 13.1976 13.1976 14.1127 14.1127 17.3181 17.3181 k = 0.4492 0.4492-0.0000 ( 4530 PWs) bands (ev): -60.2997 -60.2997 -32.3532 -32.3532 -31.3796 -31.3796 -31.3673 -31.3673 -21.5862 -21.5862 -6.5137 -6.5137 -6.2645 -6.2645 -6.1101 -6.1101 -4.0625 -4.0625 -3.0841 -3.0841 -2.9856 -2.9856 5.4789 5.4789 5.8096 5.8096 6.0105 6.0105 7.4893 7.4893 7.5437 7.5437 8.4016 8.4016 9.0715 9.0715 9.1269 9.1269 10.5824 10.5824 12.9082 12.9082 12.9381 12.9381 13.1878 13.1878 14.1081 14.1081 17.2860 17.2860 k = 0.4407 0.4407-0.0000 ( 4538 PWs) bands (ev): -60.3004 -60.3004 -32.3532 -32.3532 -31.3795 -31.3795 -31.3674 -31.3674 -21.5866 -21.5866 -6.5453 -6.5453 -6.2601 -6.2601 -6.0846 -6.0846 -4.0649 -4.0649 -3.0854 -3.0854 -2.9860 -2.9860 5.4967 5.4967 5.8322 5.8322 6.0235 6.0235 7.4811 7.4811 7.5547 7.5547 8.4210 8.4210 9.0578 9.0578 9.1274 9.1274 10.5673 10.5673 12.8937 12.8937 12.9253 12.9253 13.1751 13.1751 14.1021 14.1021 17.2480 17.2480 k = 0.4322 0.4322-0.0000 ( 4540 PWs) bands (ev): -60.3005 -60.3005 -32.3531 -32.3531 -31.3794 -31.3794 -31.3674 -31.3674 -21.5872 -21.5872 -6.5768 -6.5768 -6.2558 -6.2558 -6.0597 -6.0597 -4.0676 -4.0676 -3.0869 -3.0869 -2.9864 -2.9864 5.5168 5.5168 5.8588 5.8588 6.0389 6.0389 7.4727 7.4727 7.5673 7.5673 8.4428 8.4428 9.0423 9.0423 9.1285 9.1285 10.5501 10.5501 12.8788 12.8788 12.9117 12.9117 13.1611 13.1611 14.0960 14.0960 17.2070 17.2070 k = 0.4237 0.4237-0.0000 ( 4540 PWs) bands (ev): -60.3005 -60.3005 -32.3530 -32.3530 -31.3792 -31.3792 -31.3673 -31.3673 -21.5878 -21.5878 -6.6080 -6.6080 -6.2513 -6.2513 -6.0356 -6.0356 -4.0707 -4.0707 -3.0887 -3.0887 -2.9868 -2.9868 5.5389 5.5389 5.8893 5.8893 6.0565 6.0565 7.4637 7.4637 7.5818 7.5818 8.4669 8.4669 9.0252 9.0252 9.1302 9.1302 10.5309 10.5309 12.8619 12.8619 12.8972 12.8972 13.1451 13.1451 14.0898 14.0898 17.1618 17.1618 k = 0.4153 0.4153-0.0000 ( 4544 PWs) bands (ev): -60.3008 -60.3008 -32.3529 -32.3529 -31.3790 -31.3790 -31.3673 -31.3673 -21.5886 -21.5886 -6.6387 -6.6387 -6.2466 -6.2466 -6.0125 -6.0125 -4.0740 -4.0740 -3.0907 -3.0907 -2.9873 -2.9873 5.5627 5.5627 5.9238 5.9238 6.0758 6.0758 7.4543 7.4543 7.5978 7.5978 8.4930 8.4930 9.0070 9.0070 9.1323 9.1323 10.5099 10.5099 12.8423 12.8423 12.8799 12.8799 13.1273 13.1273 14.0819 14.0819 17.1113 17.1113 k = 0.4068 0.4068-0.0000 ( 4544 PWs) bands (ev): -60.3008 -60.3008 -32.3528 -32.3528 -31.3788 -31.3788 -31.3673 -31.3673 -21.5893 -21.5893 -6.6690 -6.6690 -6.2416 -6.2416 -5.9905 -5.9905 -4.0777 -4.0777 -3.0930 -3.0930 -2.9877 -2.9877 5.5881 5.5881 5.9625 5.9625 6.0970 6.0970 7.4448 7.4448 7.6156 7.6156 8.5211 8.5211 8.9879 8.9879 9.1348 9.1348 10.4870 10.4870 12.8220 12.8220 12.8627 12.8627 13.1077 13.1077 14.0737 14.0737 17.0564 17.0564 k = 0.3983 0.3983-0.0000 ( 4540 PWs) bands (ev): -60.3005 -60.3005 -32.3526 -32.3526 -31.3784 -31.3784 -31.3672 -31.3672 -21.5902 -21.5902 -6.6986 -6.6986 -6.2362 -6.2362 -5.9699 -5.9699 -4.0816 -4.0816 -3.0956 -3.0956 -2.9881 -2.9881 5.6150 5.6150 6.0053 6.0053 6.1204 6.1204 7.4353 7.4353 7.6352 7.6352 8.5510 8.5510 8.9685 8.9685 9.1379 9.1379 10.4625 10.4625 12.8011 12.8011 12.8447 12.8447 13.0869 13.0869 14.0647 14.0647 16.9984 16.9984 k = 0.3898 0.3898-0.0000 ( 4534 PWs) bands (ev): -60.3000 -60.3000 -32.3524 -32.3524 -31.3780 -31.3780 -31.3671 -31.3671 -21.5911 -21.5911 -6.7275 -6.7275 -6.2305 -6.2305 -5.9506 -5.9506 -4.0858 -4.0858 -3.0984 -3.0984 -2.9885 -2.9885 5.6432 5.6432 6.0526 6.0526 6.1452 6.1452 7.4257 7.4257 7.6563 7.6563 8.5825 8.5825 8.9489 8.9489 9.1414 9.1414 10.4365 10.4365 12.7780 12.7780 12.8242 12.8242 13.0683 13.0683 14.0564 14.0564 16.9347 16.9347 k = 0.3814 0.3814-0.0000 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3522 -32.3522 -31.3777 -31.3777 -31.3670 -31.3670 -21.5921 -21.5921 -6.7557 -6.7557 -6.2244 -6.2244 -5.9327 -5.9327 -4.0902 -4.0902 -3.1015 -3.1015 -2.9889 -2.9889 5.6726 5.6726 6.1037 6.1037 6.1718 6.1718 7.4161 7.4161 7.6790 7.6790 8.6155 8.6155 8.9295 8.9295 9.1453 9.1453 10.4092 10.4092 12.7521 12.7521 12.8027 12.8027 13.0445 13.0445 14.0464 14.0464 16.8677 16.8677 k = 0.3729 0.3729-0.0000 ( 4536 PWs) bands (ev): -60.3001 -60.3001 -32.3521 -32.3521 -31.3775 -31.3775 -31.3670 -31.3670 -21.5931 -21.5931 -6.7831 -6.7831 -6.2180 -6.2180 -5.9164 -5.9164 -4.0949 -4.0949 -3.1050 -3.1050 -2.9894 -2.9894 5.7031 5.7031 6.1585 6.1585 6.1999 6.1999 7.4064 7.4064 7.7034 7.7034 8.6497 8.6497 8.9107 8.9107 9.1498 9.1498 10.3805 10.3805 12.7224 12.7224 12.7796 12.7796 13.0170 13.0170 14.0348 14.0348 16.7965 16.7965 k = 0.3644 0.3644-0.0000 ( 4536 PWs) bands (ev): -60.3001 -60.3001 -32.3519 -32.3519 -31.3772 -31.3772 -31.3669 -31.3669 -21.5942 -21.5942 -6.8097 -6.8097 -6.2112 -6.2112 -5.9016 -5.9016 -4.0998 -4.0998 -3.1087 -3.1087 -2.9899 -2.9899 5.7348 5.7348 6.2172 6.2172 6.2293 6.2293 7.3971 7.3971 7.7297 7.7297 8.6851 8.6851 8.8929 8.8929 9.1548 9.1548 10.3509 10.3509 12.6926 12.6926 12.7565 12.7565 12.9895 12.9895 14.0220 14.0220 16.7203 16.7203 k = 0.3559 0.3559-0.0000 ( 4540 PWs) bands (ev): -60.3004 -60.3004 -32.3518 -32.3518 -31.3769 -31.3769 -31.3669 -31.3669 -21.5953 -21.5953 -6.8353 -6.8353 -6.2041 -6.2041 -5.8883 -5.8883 -4.1049 -4.1049 -3.1127 -3.1127 -2.9905 -2.9905 5.7672 5.7672 6.2600 6.2600 6.2801 6.2801 7.3880 7.3880 7.7573 7.7573 8.7216 8.7216 8.8763 8.8763 9.1604 9.1604 10.3203 10.3203 12.6601 12.6601 12.7306 12.7306 12.9599 12.9599 14.0072 14.0072 16.6420 16.6420 k = 0.3475 0.3475-0.0000 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3516 -32.3516 -31.3765 -31.3765 -31.3668 -31.3668 -21.5966 -21.5966 -6.8600 -6.8600 -6.1966 -6.1966 -5.8766 -5.8766 -4.1103 -4.1103 -3.1170 -3.1170 -2.9912 -2.9912 5.8009 5.8009 6.2926 6.2926 6.3460 6.3460 7.3794 7.3794 7.7864 7.7864 8.7592 8.7592 8.8613 8.8613 9.1667 9.1667 10.2889 10.2889 12.6269 12.6269 12.7033 12.7033 12.9282 12.9282 13.9930 13.9930 16.5606 16.5606 k = 0.3390 0.3390-0.0000 ( 4546 PWs) bands (ev): -60.3009 -60.3009 -32.3515 -32.3515 -31.3762 -31.3762 -31.3668 -31.3668 -21.5978 -21.5978 -6.8836 -6.8836 -6.1888 -6.1888 -5.8663 -5.8663 -4.1159 -4.1159 -3.1215 -3.1215 -2.9921 -2.9921 5.8353 5.8353 6.3263 6.3263 6.4153 6.4153 7.3712 7.3712 7.8169 7.8169 8.7978 8.7978 8.8483 8.8483 9.1736 9.1736 10.2569 10.2569 12.5934 12.5934 12.6742 12.6742 12.8954 12.8954 13.9743 13.9743 16.4767 16.4767 k = 0.3305 0.3305-0.0000 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3512 -32.3512 -31.3757 -31.3757 -31.3667 -31.3667 -21.5991 -21.5991 -6.9063 -6.9063 -6.1807 -6.1807 -5.8575 -5.8575 -4.1217 -4.1217 -3.1263 -3.1263 -2.9933 -2.9933 5.8711 5.8711 6.3610 6.3610 6.4883 6.4883 7.3633 7.3633 7.8488 7.8488 8.8356 8.8356 8.8391 8.8391 9.1812 9.1812 10.2246 10.2246 12.5584 12.5584 12.6432 12.6432 12.8634 12.8634 13.9614 13.9614 16.3907 16.3907 k = 0.3220 0.3220-0.0000 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3510 -32.3510 -31.3754 -31.3754 -31.3665 -31.3665 -21.6005 -21.6005 -6.9279 -6.9279 -6.1723 -6.1723 -5.8501 -5.8501 -4.1278 -4.1278 -3.1314 -3.1314 -2.9947 -2.9947 5.9079 5.9079 6.3968 6.3968 6.5641 6.5641 7.3560 7.3560 7.8824 7.8824 8.8288 8.8288 8.8777 8.8777 9.1895 9.1895 10.1920 10.1920 12.5222 12.5222 12.6116 12.6116 12.8275 12.8275 13.9458 13.9458 16.3002 16.3002 k = 0.3136 0.3136-0.0000 ( 4552 PWs) bands (ev): -60.3014 -60.3014 -32.3509 -32.3509 -31.3751 -31.3751 -31.3666 -31.3666 -21.6019 -21.6019 -6.9485 -6.9485 -6.1636 -6.1636 -5.8441 -5.8441 -4.1341 -4.1341 -3.1366 -3.1366 -2.9966 -2.9966 5.9455 5.9455 6.4331 6.4331 6.6425 6.6425 7.3487 7.3487 7.9170 7.9170 8.8231 8.8231 8.9182 8.9182 9.1986 9.1986 10.1593 10.1593 12.4810 12.4810 12.5760 12.5760 12.7907 12.7907 13.9278 13.9278 16.2069 16.2069 k = 0.3051 0.3051-0.0000 ( 4550 PWs) bands (ev): -60.3013 -60.3013 -32.3507 -32.3507 -31.3747 -31.3747 -31.3665 -31.3665 -21.6034 -21.6034 -6.9680 -6.9680 -6.1546 -6.1546 -5.8393 -5.8393 -4.1407 -4.1407 -3.1421 -3.1421 -2.9988 -2.9988 5.9842 5.9842 6.4707 6.4707 6.7237 6.7237 7.3424 7.3424 7.9535 7.9535 8.8203 8.8203 8.9597 8.9597 9.2085 9.2085 10.1267 10.1267 12.4429 12.4429 12.5416 12.5416 12.7542 12.7542 13.9095 13.9095 16.1123 16.1123 k = 0.2966 0.2966-0.0000 ( 4550 PWs) bands (ev): -60.3013 -60.3013 -32.3504 -32.3504 -31.3742 -31.3742 -31.3664 -31.3664 -21.6048 -21.6048 -6.9865 -6.9865 -6.1454 -6.1454 -5.8358 -5.8358 -4.1475 -4.1475 -3.1478 -3.1478 -3.0015 -3.0015 6.0239 6.0239 6.5089 6.5089 6.8073 6.8073 7.3365 7.3365 7.9913 7.9913 8.8207 8.8207 9.0016 9.0016 9.2193 9.2193 10.0944 10.0944 12.4032 12.4032 12.5059 12.5059 12.7154 12.7154 13.8902 13.8902 16.0158 16.0158 k = 0.2881 0.2881-0.0000 ( 4538 PWs) bands (ev): -60.3002 -60.3002 -32.3501 -32.3501 -31.3736 -31.3736 -31.3661 -31.3661 -21.6063 -21.6063 -7.0038 -7.0038 -6.1359 -6.1359 -5.8333 -5.8333 -4.1546 -4.1546 -3.1537 -3.1537 -3.0048 -3.0048 6.0648 6.0648 6.5482 6.5482 6.8933 6.8933 7.3311 7.3311 8.0310 8.0310 8.8244 8.8244 9.0443 9.0443 9.2311 9.2311 10.0626 10.0626 12.3638 12.3638 12.4708 12.4708 12.6775 12.6775 13.8729 13.8729 15.9205 15.9205 k = 0.2797 0.2797-0.0000 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3499 -32.3499 -31.3733 -31.3733 -31.3660 -31.3660 -21.6079 -21.6079 -7.0202 -7.0202 -6.1262 -6.1262 -5.8318 -5.8318 -4.1619 -4.1619 -3.1597 -3.1597 -3.0086 -3.0086 6.1061 6.1061 6.5870 6.5870 6.9811 6.9811 7.3262 7.3262 8.0715 8.0715 8.8316 8.8316 9.0870 9.0870 9.2437 9.2437 10.0315 10.0315 12.3215 12.3215 12.4324 12.4324 12.6356 12.6356 13.8513 13.8513 15.8187 15.8187 k = 0.2712 0.2712-0.0000 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3497 -32.3497 -31.3729 -31.3729 -31.3659 -31.3659 -21.6095 -21.6095 -7.0354 -7.0354 -6.1163 -6.1163 -5.8313 -5.8313 -4.1695 -4.1695 -3.1658 -3.1658 -3.0131 -3.0131 6.1486 6.1486 6.6260 6.6260 7.0706 7.0706 7.3219 7.3219 8.1133 8.1133 8.8424 8.8424 9.1300 9.1300 9.2573 9.2573 10.0011 10.0011 12.2791 12.2791 12.3928 12.3928 12.5934 12.5934 13.8289 13.8289 15.7157 15.7157 k = 0.2627 0.2627-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3495 -32.3495 -31.3726 -31.3726 -31.3659 -31.3659 -21.6111 -21.6111 -7.0497 -7.0497 -6.1062 -6.1062 -5.8316 -5.8316 -4.1774 -4.1774 -3.1721 -3.1721 -3.0183 -3.0183 6.1917 6.1917 6.6651 6.6651 7.1614 7.1614 7.3179 7.3179 8.1563 8.1563 8.8569 8.8569 9.1728 9.1728 9.2720 9.2720 9.9719 9.9719 12.2339 12.2339 12.3517 12.3517 12.5473 12.5473 13.8053 13.8053 15.6110 15.6110 k = 0.2542 0.2542-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3493 -32.3493 -31.3722 -31.3722 -31.3658 -31.3658 -21.6127 -21.6127 -7.0629 -7.0629 -6.0960 -6.0960 -5.8327 -5.8327 -4.1856 -4.1856 -3.1784 -3.1784 -3.0242 -3.0242 6.2359 6.2359 6.7044 6.7044 7.2533 7.2533 7.3153 7.3153 8.2005 8.2005 8.8752 8.8752 9.2160 9.2160 9.2880 9.2880 9.9439 9.9439 12.1901 12.1901 12.3096 12.3096 12.5032 12.5032 13.7818 13.7818 15.5068 15.5068 k = 0.2458 0.2458-0.0000 ( 4551 PWs) bands (ev): -60.3013 -60.3013 -32.3490 -32.3490 -31.3717 -31.3717 -31.3657 -31.3657 -21.6143 -21.6143 -7.0751 -7.0751 -6.0856 -6.0856 -5.8342 -5.8342 -4.1940 -4.1940 -3.1848 -3.1848 -3.0309 -3.0309 6.2808 6.2808 6.7432 6.7432 7.3089 7.3089 7.3506 7.3506 8.2458 8.2458 8.8974 8.8974 9.2584 9.2584 9.3057 9.3057 9.9174 9.9174 12.1447 12.1447 12.2659 12.2659 12.4598 12.4598 13.7589 13.7589 15.4029 15.4029 k = 0.2373 0.2373-0.0000 ( 4551 PWs) bands (ev): -60.3013 -60.3013 -32.3488 -32.3488 -31.3712 -31.3712 -31.3656 -31.3656 -21.6159 -21.6159 -7.0863 -7.0863 -6.0751 -6.0751 -5.8363 -5.8363 -4.2028 -4.2028 -3.1912 -3.1912 -3.0383 -3.0383 6.3264 6.3264 6.7818 6.7818 7.3077 7.3077 7.4440 7.4440 8.2922 8.2922 8.9234 8.9234 9.2982 9.2982 9.3271 9.3271 9.8927 9.8927 12.0998 12.0998 12.2216 12.2216 12.4138 12.4138 13.7338 13.7338 15.2970 15.2970 k = 0.2288 0.2288-0.0000 ( 4561 PWs) bands (ev): -60.3022 -60.3022 -32.3487 -32.3487 -31.3709 -31.3709 -31.3657 -31.3657 -21.6175 -21.6175 -7.0966 -7.0966 -6.0646 -6.0646 -5.8389 -5.8389 -4.2118 -4.2118 -3.1977 -3.1977 -3.0465 -3.0465 6.3722 6.3722 6.8198 6.8198 7.3058 7.3058 7.5391 7.5391 8.3391 8.3391 8.9532 8.9532 9.3285 9.3285 9.3588 9.3588 9.8699 9.8699 12.0543 12.0543 12.1735 12.1735 12.3651 12.3651 13.7036 13.7036 15.1905 15.1905 k = 0.2203 0.2203-0.0000 ( 4569 PWs) bands (ev): -60.3028 -60.3028 -32.3485 -32.3485 -31.3706 -31.3706 -31.3657 -31.3657 -21.6192 -21.6192 -7.1060 -7.1060 -6.0540 -6.0540 -5.8417 -5.8417 -4.2210 -4.2210 -3.2042 -3.2042 -3.0554 -3.0554 6.4190 6.4190 6.8565 6.8565 7.3041 7.3041 7.6350 7.6350 8.3875 8.3875 8.9868 8.9868 9.3505 9.3505 9.3989 9.3989 9.8493 9.8493 12.0064 12.0064 12.1269 12.1269 12.3167 12.3167 13.6758 13.6758 15.0809 15.0809 k = 0.2119 0.2119-0.0000 ( 4569 PWs) bands (ev): -60.3028 -60.3028 -32.3483 -32.3483 -31.3701 -31.3701 -31.3656 -31.3656 -21.6208 -21.6208 -7.1146 -7.1146 -6.0434 -6.0434 -5.8447 -5.8447 -4.2306 -4.2306 -3.2106 -3.2106 -3.0650 -3.0650 6.4663 6.4663 6.8928 6.8928 7.3028 7.3028 7.7314 7.7314 8.4368 8.4368 9.0242 9.0242 9.3705 9.3705 9.4419 9.4419 9.8316 9.8316 11.9605 11.9605 12.0795 12.0795 12.2680 12.2680 13.6486 13.6486 14.9738 14.9738 k = 0.2034 0.2034-0.0000 ( 4567 PWs) bands (ev): -60.3026 -60.3026 -32.3481 -32.3481 -31.3697 -31.3697 -31.3654 -31.3654 -21.6224 -21.6224 -7.1223 -7.1223 -6.0327 -6.0327 -5.8477 -5.8477 -4.2403 -4.2403 -3.2170 -3.2170 -3.0754 -3.0754 6.5139 6.5139 6.9280 6.9280 7.3019 7.3019 7.8280 7.8280 8.4870 8.4870 9.0652 9.0652 9.3897 9.3897 9.4859 9.4859 9.8170 9.8170 11.9154 11.9154 12.0316 12.0316 12.2183 12.2183 13.6209 13.6209 14.8675 14.8675 k = 0.1949 0.1949-0.0000 ( 4577 PWs) bands (ev): -60.3035 -60.3035 -32.3479 -32.3479 -31.3694 -31.3694 -31.3654 -31.3654 -21.6240 -21.6240 -7.1293 -7.1293 -6.0222 -6.0222 -5.8509 -5.8509 -4.2503 -4.2503 -3.2233 -3.2233 -3.0863 -3.0863 6.5617 6.5617 6.9614 6.9614 7.3013 7.3013 7.9242 7.9242 8.5377 8.5377 9.1097 9.1097 9.4082 9.4082 9.5294 9.5294 9.8058 9.8058 11.8672 11.8672 11.9819 11.9819 12.1666 12.1666 13.5909 13.5909 14.7572 14.7572 k = 0.1864 0.1864-0.0000 ( 4573 PWs) bands (ev): -60.3031 -60.3031 -32.3477 -32.3477 -31.3690 -31.3690 -31.3653 -31.3653 -21.6255 -21.6255 -7.1355 -7.1355 -6.0117 -6.0117 -5.8539 -5.8539 -4.2605 -4.2605 -3.2295 -3.2295 -3.0979 -3.0979 6.6096 6.6096 6.9941 6.9941 7.3011 7.3011 8.0206 8.0206 8.5889 8.5889 9.1575 9.1575 9.4256 9.4256 9.5740 9.5740 9.7990 9.7990 11.8238 11.8238 11.9307 11.9307 12.1165 12.1165 13.5620 13.5620 14.6506 14.6506 k = 0.1780 0.1780-0.0000 ( 4561 PWs) bands (ev): -60.3021 -60.3021 -32.3473 -32.3473 -31.3684 -31.3684 -31.3650 -31.3650 -21.6271 -21.6271 -7.1410 -7.1410 -6.0012 -6.0012 -5.8568 -5.8568 -4.2709 -4.2709 -3.2356 -3.2356 -3.1100 -3.1100 6.6577 6.6577 7.0253 7.0253 7.3012 7.3012 8.1165 8.1165 8.6415 8.6415 9.2086 9.2086 9.4415 9.4415 9.6177 9.6177 9.7972 9.7972 11.7781 11.7781 11.8835 11.8835 12.0669 12.0669 13.5356 13.5356 14.5458 14.5458 k = 0.1695 0.1695-0.0000 ( 4557 PWs) bands (ev): -60.3018 -60.3018 -32.3470 -32.3470 -31.3680 -31.3680 -31.3648 -31.3648 -21.6286 -21.6286 -7.1459 -7.1459 -5.9909 -5.9909 -5.8596 -5.8596 -4.2814 -4.2814 -3.2416 -3.2416 -3.1225 -3.1225 6.7053 6.7053 7.0551 7.0551 7.3017 7.3017 8.2114 8.2114 8.6940 8.6940 9.2624 9.2624 9.4552 9.4552 9.6612 9.6612 9.8009 9.8009 11.7321 11.7321 11.8328 11.8328 12.0133 12.0133 13.5067 13.5067 14.4443 14.4443 k = 0.1610 0.1610-0.0000 ( 4561 PWs) bands (ev): -60.3021 -60.3021 -32.3469 -32.3469 -31.3677 -31.3677 -31.3647 -31.3647 -21.6301 -21.6301 -7.1503 -7.1503 -5.9808 -5.9808 -5.8621 -5.8621 -4.2921 -4.2921 -3.2474 -3.2474 -3.1354 -3.1354 6.7524 6.7524 7.0830 7.0830 7.3025 7.3025 8.3051 8.3051 8.7468 8.7468 9.3187 9.3187 9.4663 9.4663 9.7040 9.7040 9.8103 9.8103 11.6855 11.6855 11.7814 11.7814 11.9574 11.9574 13.4758 13.4758 14.3400 14.3400 k = 0.1525 0.1525-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3466 -32.3466 -31.3671 -31.3671 -31.3646 -31.3646 -21.6315 -21.6315 -7.1540 -7.1540 -5.9709 -5.9709 -5.8644 -5.8644 -4.3028 -4.3028 -3.2530 -3.2530 -3.1485 -3.1485 6.7991 6.7991 7.1090 7.1090 7.3035 7.3035 8.3981 8.3981 8.7999 8.7999 9.3774 9.3774 9.4748 9.4748 9.7466 9.7466 9.8258 9.8258 11.6412 11.6412 11.7303 11.7303 11.9057 11.9057 13.4464 13.4464 14.2387 14.2387 k = 0.1441 0.1441-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3464 -32.3464 -31.3668 -31.3668 -31.3645 -31.3645 -21.6329 -21.6329 -7.1573 -7.1573 -5.9613 -5.9613 -5.8664 -5.8664 -4.3135 -4.3135 -3.2585 -3.2585 -3.1617 -3.1617 6.8449 6.8449 7.1334 7.1334 7.3049 7.3049 8.4895 8.4895 8.8529 8.8529 9.4377 9.4377 9.4810 9.4810 9.7880 9.7880 9.8471 9.8471 11.5953 11.5953 11.6785 11.6785 11.8510 11.8510 13.4162 13.4162 14.1376 14.1376 k = 0.1356 0.1356-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3462 -32.3462 -31.3664 -31.3664 -31.3644 -31.3644 -21.6342 -21.6342 -7.1602 -7.1602 -5.9519 -5.9519 -5.8681 -5.8681 -4.3242 -4.3242 -3.2637 -3.2637 -3.1750 -3.1750 6.8897 6.8897 7.1560 7.1560 7.3065 7.3065 8.5793 8.5793 8.9058 8.9058 9.4823 9.4823 9.5023 9.5023 9.8282 9.8282 9.8740 9.8740 11.5498 11.5498 11.6268 11.6268 11.7956 11.7956 13.3860 13.3860 14.0384 14.0384 k = 0.1271 0.1271-0.0000 ( 4555 PWs) bands (ev): -60.3017 -60.3017 -32.3461 -32.3461 -31.3661 -31.3661 -31.3643 -31.3643 -21.6355 -21.6355 -7.1626 -7.1626 -5.9428 -5.9428 -5.8694 -5.8694 -4.3348 -4.3348 -3.2688 -3.2688 -3.1883 -3.1883 6.9332 6.9332 7.1767 7.1767 7.3084 7.3084 8.6673 8.6673 8.9581 8.9581 9.4855 9.4855 9.5645 9.5645 9.8671 9.8671 9.9055 9.9055 11.5041 11.5041 11.5739 11.5739 11.7399 11.7399 13.3566 13.3566 13.9417 13.9417 k = 0.1186 0.1186-0.0000 ( 4549 PWs) bands (ev): -60.3012 -60.3012 -32.3458 -32.3458 -31.3658 -31.3658 -31.3641 -31.3641 -21.6367 -21.6367 -7.1647 -7.1647 -5.9341 -5.9341 -5.8704 -5.8704 -4.3452 -4.3452 -3.2736 -3.2736 -3.2013 -3.2013 6.9752 6.9752 7.1957 7.1957 7.3106 7.3106 8.7533 8.7533 9.0102 9.0102 9.4864 9.4864 9.6286 9.6286 9.9055 9.9055 9.9407 9.9407 11.4612 11.4612 11.5235 11.5235 11.6843 11.6843 13.3290 13.3290 13.8478 13.8478 k = 0.1102 0.1102-0.0000 ( 4549 PWs) bands (ev): -60.3012 -60.3012 -32.3457 -32.3457 -31.3655 -31.3655 -31.3641 -31.3641 -21.6379 -21.6379 -7.1665 -7.1665 -5.9257 -5.9257 -5.8711 -5.8711 -4.3554 -4.3554 -3.2781 -3.2781 -3.2141 -3.2141 7.0153 7.0153 7.2130 7.2130 7.3130 7.3130 8.8367 8.8367 9.0615 9.0615 9.4863 9.4863 9.6931 9.6931 9.9433 9.9433 9.9780 9.9780 11.4174 11.4174 11.4733 11.4733 11.6276 11.6276 13.3000 13.3000 13.7565 13.7565 k = 0.1017 0.1017-0.0000 ( 4549 PWs) bands (ev): -60.3012 -60.3012 -32.3455 -32.3455 -31.3652 -31.3652 -31.3640 -31.3640 -21.6389 -21.6389 -7.1680 -7.1680 -5.9178 -5.9178 -5.8716 -5.8716 -4.3653 -4.3653 -3.2823 -3.2823 -3.2264 -3.2264 7.0532 7.0532 7.2287 7.2287 7.3157 7.3157 8.9173 8.9173 9.1117 9.1117 9.4858 9.4858 9.7574 9.7574 9.9812 9.9812 10.0162 10.0162 11.3745 11.3745 11.4242 11.4242 11.5708 11.5708 13.2718 13.2718 13.6687 13.6687 k = 0.0932 0.0932-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3455 -32.3455 -31.3650 -31.3650 -31.3641 -31.3641 -21.6400 -21.6400 -7.1693 -7.1693 -5.9104 -5.9104 -5.8718 -5.8718 -4.3748 -4.3748 -3.2863 -3.2863 -3.2382 -3.2382 7.0885 7.0885 7.2428 7.2428 7.3186 7.3186 8.9948 8.9948 9.1605 9.1605 9.4850 9.4850 9.8210 9.8210 10.0190 10.0190 10.0544 10.0544 11.3312 11.3312 11.3748 11.3748 11.5133 11.5133 13.2400 13.2400 13.5854 13.5854 k = 0.0847 0.0847-0.0000 ( 4553 PWs) bands (ev): -60.3016 -60.3016 -32.3453 -32.3453 -31.3647 -31.3647 -31.3640 -31.3640 -21.6409 -21.6409 -7.1704 -7.1704 -5.9034 -5.9034 -5.8717 -5.8717 -4.3839 -4.3839 -3.2900 -3.2900 -3.2494 -3.2494 7.1210 7.1210 7.2559 7.2559 7.3218 7.3218 9.0688 9.0688 9.2078 9.2078 9.4841 9.4841 9.8835 9.8835 10.0567 10.0567 10.0922 10.0922 11.2910 11.2910 11.3298 11.3298 11.4569 11.4569 13.2140 13.2140 13.5076 13.5076 k = 0.0763 0.0763-0.0000 ( 4561 PWs) bands (ev): -60.3022 -60.3022 -32.3453 -32.3453 -31.3646 -31.3646 -31.3640 -31.3640 -21.6418 -21.6418 -7.1712 -7.1712 -5.8970 -5.8970 -5.8715 -5.8715 -4.3925 -4.3925 -3.2933 -3.2933 -3.2598 -3.2598 7.1502 7.1502 7.2679 7.2679 7.3250 7.3250 9.1386 9.1386 9.2528 9.2528 9.4833 9.4833 9.9441 9.9441 10.0934 10.0934 10.1288 10.1288 11.2499 11.2499 11.2849 11.2849 11.4010 11.4010 13.1884 13.1884 13.4291 13.4291 k = 0.0678 0.0678-0.0000 ( 4557 PWs) bands (ev): -60.3019 -60.3019 -32.3451 -32.3451 -31.3644 -31.3644 -31.3639 -31.3639 -21.6425 -21.6425 -7.1719 -7.1719 -5.8911 -5.8911 -5.8711 -5.8711 -4.4004 -4.4004 -3.2963 -3.2963 -3.2694 -3.2694 7.1756 7.1756 7.2795 7.2795 7.3284 7.3284 9.2038 9.2038 9.2953 9.2953 9.4826 9.4826 10.0024 10.0024 10.1295 10.1295 10.1643 10.1643 11.2142 11.2142 11.2436 11.2436 11.3462 11.3462 13.1656 13.1656 13.3615 13.3615 k = 0.0593 0.0593-0.0000 ( 4559 PWs) bands (ev): -60.3021 -60.3021 -32.3450 -32.3450 -31.3642 -31.3642 -31.3639 -31.3639 -21.6432 -21.6432 -7.1725 -7.1725 -5.8859 -5.8859 -5.8707 -5.8707 -4.4076 -4.4076 -3.2990 -3.2990 -3.2781 -3.2781 7.1968 7.1968 7.2909 7.2909 7.3317 7.3317 9.2637 9.2637 9.3348 9.3348 9.4820 9.4820 10.0573 10.0573 10.1639 10.1639 10.1977 10.1977 11.1783 11.1783 11.2050 11.2050 11.2935 11.2935 13.1439 13.1439 13.2970 13.2970 k = 0.0508 0.0508-0.0000 ( 4561 PWs) bands (ev): -60.3022 -60.3022 -32.3450 -32.3450 -31.3641 -31.3641 -31.3639 -31.3639 -21.6438 -21.6438 -7.1730 -7.1730 -5.8812 -5.8812 -5.8701 -5.8701 -4.4140 -4.4140 -3.3014 -3.3014 -3.2858 -3.2858 7.2138 7.2138 7.3023 7.3023 7.3348 7.3348 9.3175 9.3175 9.3707 9.3707 9.4815 9.4815 10.1080 10.1080 10.1968 10.1968 10.2285 10.2285 11.1449 11.1449 11.1692 11.1692 11.2427 11.2427 13.1248 13.1248 13.2408 13.2408 k = 0.0424 0.0424-0.0000 ( 4555 PWs) bands (ev): -60.3017 -60.3017 -32.3448 -32.3448 -31.3639 -31.3639 -31.3637 -31.3637 -21.6443 -21.6443 -7.1734 -7.1734 -5.8772 -5.8772 -5.8696 -5.8696 -4.4196 -4.4196 -3.3034 -3.3034 -3.2925 -3.2925 7.2267 7.2267 7.3134 7.3134 7.3376 7.3376 9.3647 9.3647 9.4026 9.4026 9.4813 9.4813 10.1529 10.1529 10.2281 10.2281 10.2563 10.2563 11.1153 11.1153 11.1373 11.1373 11.1999 11.1999 13.1096 13.1096 13.1927 13.1927 k = 0.0339 0.0339-0.0000 ( 4547 PWs) bands (ev): -60.3010 -60.3010 -32.3447 -32.3447 -31.3636 -31.3636 -31.3636 -31.3636 -21.6448 -21.6448 -7.1736 -7.1736 -5.8739 -5.8739 -5.8691 -5.8691 -4.4243 -4.4243 -3.3051 -3.3051 -3.2980 -3.2980 7.2361 7.2361 7.3236 7.3236 7.3400 7.3400 9.4043 9.4043 9.4297 9.4297 9.4814 9.4814 10.1905 10.1905 10.2575 10.2575 10.2802 10.2802 11.0915 11.0915 11.1099 11.1099 11.1623 11.1623 13.0975 13.0975 13.1518 13.1518 k = 0.0254 0.0254-0.0000 ( 4555 PWs) bands (ev): -60.3017 -60.3017 -32.3447 -32.3447 -31.3637 -31.3637 -31.3636 -31.3636 -21.6451 -21.6451 -7.1738 -7.1738 -5.8714 -5.8714 -5.8687 -5.8687 -4.4280 -4.4280 -3.3063 -3.3063 -3.3023 -3.3023 7.2426 7.2426 7.3323 7.3323 7.3419 7.3419 9.4354 9.4354 9.4513 9.4513 9.4820 9.4820 10.2194 10.2194 10.2842 10.2842 10.2997 10.2997 11.0699 11.0699 11.0832 11.0832 11.1306 11.1306 13.0858 13.0858 13.1133 13.1133 k = 0.0169 0.0169-0.0000 ( 4559 PWs) bands (ev): -60.3020 -60.3020 -32.3447 -32.3447 -31.3638 -31.3638 -31.3636 -31.3636 -21.6453 -21.6453 -7.1740 -7.1740 -5.8696 -5.8696 -5.8683 -5.8683 -4.4307 -4.4307 -3.3073 -3.3073 -3.3055 -3.3055 7.2469 7.2469 7.3390 7.3390 7.3434 7.3434 9.4574 9.4574 9.4662 9.4662 9.4841 9.4841 10.2395 10.2395 10.3062 10.3062 10.3142 10.3142 11.0543 11.0543 11.0604 11.0604 11.1077 11.1077 13.0767 13.0767 13.0890 13.0890 k = 0.0085 0.0085-0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3446 -32.3446 -31.3636 -31.3636 -31.3636 -31.3636 -21.6455 -21.6455 -7.1741 -7.1741 -5.8684 -5.8684 -5.8681 -5.8681 -4.4323 -4.4323 -3.3078 -3.3078 -3.3074 -3.3074 7.2493 7.2493 7.3431 7.3431 7.3443 7.3443 9.4702 9.4702 9.4729 9.4729 9.4884 9.4884 10.2513 10.2513 10.3209 10.3209 10.3231 10.3231 11.0452 11.0452 11.0471 11.0471 11.0960 11.0960 13.0730 13.0730 13.0762 13.0762 k = 0.0000 0.0000 0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3446 -32.3446 -31.3636 -31.3636 -31.3636 -31.3636 -21.6455 -21.6455 -7.1741 -7.1741 -5.8681 -5.8681 -5.8681 -5.8681 -4.4328 -4.4328 -3.3080 -3.3080 -3.3080 -3.3080 7.2501 7.2501 7.3445 7.3445 7.3445 7.3445 9.4743 9.4743 9.4743 9.4743 9.4908 9.4908 10.2552 10.2552 10.3261 10.3261 10.3261 10.3261 11.0419 11.0419 11.0419 11.0419 11.0919 11.0919 13.0714 13.0714 13.0714 13.0714 k = 0.0000 0.0000 0.0000 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3446 -32.3446 -31.3636 -31.3636 -31.3636 -31.3636 -21.6455 -21.6455 -7.1741 -7.1741 -5.8681 -5.8681 -5.8681 -5.8681 -4.4328 -4.4328 -3.3080 -3.3080 -3.3080 -3.3080 7.2501 7.2501 7.3445 7.3445 7.3445 7.3445 9.4743 9.4743 9.4743 9.4743 9.4908 9.4908 10.2552 10.2552 10.3261 10.3261 10.3261 10.3261 11.0419 11.0419 11.0419 11.0419 11.0919 11.0919 13.0714 13.0714 13.0714 13.0714 k = 0.0069 0.0069 0.0069 ( 4553 PWs) bands (ev): -60.3015 -60.3015 -32.3446 -32.3446 -31.3636 -31.3636 -31.3636 -31.3636 -21.6455 -21.6455 -7.1741 -7.1741 -5.8683 -5.8683 -5.8682 -5.8682 -4.4323 -4.4323 -3.3078 -3.3078 -3.3074 -3.3074 7.2493 7.2493 7.3432 7.3432 7.3442 7.3442 9.4701 9.4701 9.4729 9.4729 9.4885 9.4885 10.2513 10.2513 10.3209 10.3209 10.3231 10.3231 11.0461 11.0461 11.0463 11.0463 11.0960 11.0960 13.0746 13.0746 13.0747 13.0747 k = 0.0139 0.0139 0.0139 ( 4559 PWs) bands (ev): -60.3020 -60.3020 -32.3447 -32.3447 -31.3638 -31.3638 -31.3636 -31.3636 -21.6453 -21.6453 -7.1740 -7.1740 -5.8692 -5.8692 -5.8687 -5.8687 -4.4306 -4.4306 -3.3071 -3.3071 -3.3056 -3.3056 7.2469 7.2469 7.3393 7.3393 7.3430 7.3430 9.4573 9.4573 9.4648 9.4648 9.4854 9.4854 10.2393 10.2393 10.3060 10.3060 10.3141 10.3141 11.0563 11.0563 11.0590 11.0590 11.1073 11.1073 13.0830 13.0830 13.0831 13.0831 k = 0.0208 0.0208 0.0208 ( 4565 PWs) bands (ev): -60.3025 -60.3025 -32.3449 -32.3449 -31.3638 -31.3638 -31.3638 -31.3638 -21.6451 -21.6451 -7.1739 -7.1739 -5.8706 -5.8706 -5.8696 -5.8696 -4.4280 -4.4280 -3.3060 -3.3060 -3.3026 -3.3026 7.2427 7.2427 7.3329 7.3329 7.3411 7.3411 9.4363 9.4363 9.4458 9.4458 9.4861 9.4861 10.2186 10.2186 10.2837 10.2837 10.2998 10.2998 11.0768 11.0768 11.0773 11.0773 11.1264 11.1264 13.0967 13.0967 13.0969 13.0969 k = 0.0278 0.0278 0.0278 ( 4559 PWs) bands (ev): -60.3020 -60.3020 -32.3448 -32.3448 -31.3638 -31.3638 -31.3638 -31.3638 -21.6448 -21.6448 -7.1736 -7.1736 -5.8725 -5.8725 -5.8707 -5.8707 -4.4242 -4.4242 -3.3045 -3.3045 -3.2984 -3.2984 7.2365 7.2365 7.3245 7.3245 7.3384 7.3384 9.4077 9.4077 9.4180 9.4180 9.4891 9.4891 10.1880 10.1880 10.2571 10.2571 10.2810 10.2810 11.1018 11.1018 11.1038 11.1038 11.1517 11.1517 13.1233 13.1233 13.1236 13.1236 k = 0.0347 0.0347 0.0347 ( 4547 PWs) bands (ev): -60.3010 -60.3010 -32.3447 -32.3447 -31.3637 -31.3637 -31.3637 -31.3637 -21.6443 -21.6443 -7.1732 -7.1732 -5.8749 -5.8749 -5.8721 -5.8721 -4.4195 -4.4195 -3.3026 -3.3026 -3.2931 -3.2931 7.2276 7.2276 7.3146 7.3146 7.3349 7.3349 9.3722 9.3722 9.3828 9.3828 9.4935 9.4935 10.1471 10.1471 10.2288 10.2288 10.2583 10.2583 11.1327 11.1327 11.1393 11.1393 11.1845 11.1845 13.1548 13.1548 13.1553 13.1553 k = 0.0417 0.0417 0.0417 ( 4535 PWs) bands (ev): -60.3000 -60.3000 -32.3447 -32.3447 -31.3636 -31.3636 -31.3636 -31.3636 -21.6438 -21.6438 -7.1727 -7.1727 -5.8777 -5.8777 -5.8739 -5.8739 -4.4138 -4.4138 -3.3004 -3.3004 -3.2867 -3.2867 7.2157 7.2157 7.3037 7.3037 7.3307 7.3307 9.3304 9.3304 9.3411 9.3411 9.4991 9.4991 10.0969 10.0969 10.1997 10.1997 10.2327 10.2327 11.1672 11.1672 11.1791 11.1791 11.2218 11.2218 13.1919 13.1919 13.1926 13.1926 k = 0.0486 0.0486 0.0486 ( 4544 PWs) bands (ev): -60.3008 -60.3008 -32.3449 -32.3449 -31.3640 -31.3640 -31.3637 -31.3637 -21.6432 -21.6432 -7.1721 -7.1721 -5.8811 -5.8811 -5.8759 -5.8759 -4.4073 -4.4073 -3.2977 -3.2977 -3.2792 -3.2792 7.2001 7.2001 7.2926 7.2926 7.3255 7.3255 9.2830 9.2830 9.2936 9.2936 9.5058 9.5058 10.0387 10.0387 10.1695 10.1695 10.2044 10.2044 11.2006 11.2006 11.2195 11.2195 11.2595 11.2595 13.2293 13.2293 13.2302 13.2302 k = 0.0556 0.0556 0.0556 ( 4550 PWs) bands (ev): -60.3013 -60.3013 -32.3450 -32.3450 -31.3641 -31.3641 -31.3640 -31.3640 -21.6425 -21.6425 -7.1713 -7.1713 -5.8849 -5.8849 -5.8782 -5.8782 -4.3999 -4.3999 -3.2948 -3.2948 -3.2708 -3.2708 7.1806 7.1806 7.2816 7.2816 7.3195 7.3195 9.2306 9.2306 9.2412 9.2412 9.5135 9.5135 9.9745 9.9745 10.1383 10.1383 10.1742 10.1742 11.2394 11.2394 11.2621 11.2621 11.3007 11.3007 13.2713 13.2713 13.2724 13.2724 k = 0.0625 0.0625 0.0625 ( 4550 PWs) bands (ev): -60.3013 -60.3013 -32.3451 -32.3451 -31.3642 -31.3642 -31.3641 -31.3641 -21.6417 -21.6417 -7.1702 -7.1702 -5.8891 -5.8891 -5.8808 -5.8808 -4.3918 -4.3918 -3.2916 -3.2916 -3.2613 -3.2613 7.1571 7.1571 7.2709 7.2709 7.3127 7.3127 9.1742 9.1742 9.1847 9.1847 9.5222 9.5222 9.9052 9.9052 10.1064 10.1064 10.1427 10.1427 11.2787 11.2787 11.3084 11.3084 11.3450 11.3450 13.3201 13.3201 13.3215 13.3215 k = 0.0694 0.0694 0.0694 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3452 -32.3452 -31.3642 -31.3642 -31.3642 -31.3642 -21.6408 -21.6408 -7.1688 -7.1688 -5.8936 -5.8936 -5.8835 -5.8835 -4.3831 -4.3831 -3.2882 -3.2882 -3.2510 -3.2510 7.1298 7.1298 7.2605 7.2605 7.3050 7.3050 9.1144 9.1144 9.1247 9.1247 9.5320 9.5320 9.8314 9.8314 10.0739 10.0739 10.1104 10.1104 11.3189 11.3189 11.3572 11.3572 11.3920 11.3920 13.3764 13.3764 13.3781 13.3781 k = 0.0764 0.0764 0.0764 ( 4542 PWs) bands (ev): -60.3007 -60.3007 -32.3453 -32.3453 -31.3644 -31.3644 -31.3643 -31.3643 -21.6399 -21.6399 -7.1671 -7.1671 -5.8984 -5.8984 -5.8864 -5.8864 -4.3738 -4.3738 -3.2846 -3.2846 -3.2399 -3.2399 7.0991 7.0991 7.2500 7.2500 7.2964 7.2964 9.0518 9.0518 9.0617 9.0617 9.5427 9.5427 9.7541 9.7541 10.0409 10.0409 10.0773 10.0773 11.3599 11.3599 11.4063 11.4063 11.4396 11.4396 13.4334 13.4334 13.4354 13.4354 k = 0.0833 0.0833 0.0833 ( 4542 PWs) bands (ev): -60.3007 -60.3007 -32.3454 -32.3454 -31.3646 -31.3646 -31.3645 -31.3645 -21.6388 -21.6388 -7.1650 -7.1650 -5.9034 -5.9034 -5.8895 -5.8895 -4.3640 -4.3640 -3.2808 -3.2808 -3.2280 -3.2280 7.0654 7.0654 7.2392 7.2392 7.2868 7.2868 8.9868 8.9868 8.9964 8.9964 9.5545 9.5545 9.6736 9.6736 10.0078 10.0078 10.0441 10.0441 11.4015 11.4015 11.4561 11.4561 11.4882 11.4882 13.4941 13.4941 13.4964 13.4964 k = 0.0903 0.0903 0.0903 ( 4545 PWs) bands (ev): -60.3009 -60.3009 -32.3456 -32.3456 -31.3648 -31.3648 -31.3647 -31.3647 -21.6377 -21.6377 -7.1624 -7.1624 -5.9087 -5.9087 -5.8927 -5.8927 -4.3539 -4.3539 -3.2770 -3.2770 -3.2155 -3.2155 7.0291 7.0291 7.2281 7.2281 7.2762 7.2762 8.9200 8.9200 8.9292 8.9292 9.5670 9.5670 9.5902 9.5902 9.9747 9.9747 10.0108 10.0108 11.4432 11.4432 11.5063 11.5063 11.5374 11.5374 13.5568 13.5568 13.5594 13.5594 k = 0.0972 0.0972 0.0972 ( 4545 PWs) bands (ev): -60.3009 -60.3009 -32.3458 -32.3458 -31.3650 -31.3650 -31.3649 -31.3649 -21.6365 -21.6365 -7.1594 -7.1594 -5.9141 -5.9141 -5.8960 -5.8960 -4.3436 -4.3436 -3.2732 -3.2732 -3.2024 -3.2024 6.9904 6.9904 7.2164 7.2164 7.2646 7.2646 8.8518 8.8518 8.8605 8.8605 9.5041 9.5041 9.5809 9.5809 9.9422 9.9422 9.9780 9.9780 11.4858 11.4858 11.5569 11.5569 11.5872 11.5872 13.6239 13.6239 13.6267 13.6267 k = 0.1042 0.1042 0.1042 ( 4545 PWs) bands (ev): -60.3009 -60.3009 -32.3460 -32.3460 -31.3653 -31.3653 -31.3650 -31.3650 -21.6353 -21.6353 -7.1558 -7.1558 -5.9195 -5.9195 -5.8994 -5.8994 -4.3330 -4.3330 -3.2693 -3.2693 -3.1889 -3.1889 6.9498 6.9498 7.2041 7.2041 7.2522 7.2522 8.7826 8.7826 8.7907 8.7907 9.4155 9.4155 9.5954 9.5954 9.9106 9.9106 9.9461 9.9461 11.5260 11.5260 11.6074 11.6074 11.6369 11.6369 13.6957 13.6957 13.6988 13.6988 k = 0.1111 0.1111 0.1111 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3461 -32.3461 -31.3654 -31.3654 -31.3652 -31.3652 -21.6340 -21.6340 -7.1517 -7.1517 -5.9251 -5.9251 -5.9028 -5.9028 -4.3225 -4.3225 -3.2656 -3.2656 -3.1750 -3.1750 6.9075 6.9075 7.1909 7.1909 7.2386 7.2386 8.7128 8.7128 8.7203 8.7203 9.3258 9.3258 9.6108 9.6108 9.8796 9.8796 9.9149 9.9149 11.5707 11.5707 11.6584 11.6584 11.6873 11.6873 13.7682 13.7682 13.7716 13.7716 k = 0.1181 0.1181 0.1181 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3464 -32.3464 -31.3657 -31.3657 -31.3655 -31.3655 -21.6326 -21.6326 -7.1468 -7.1468 -5.9307 -5.9307 -5.9063 -5.9063 -4.3119 -4.3119 -3.2620 -3.2620 -3.1609 -3.1609 6.8637 6.8637 7.1769 7.1769 7.2239 7.2239 8.6424 8.6424 8.6492 8.6492 9.2341 9.2341 9.6271 9.6271 9.8498 9.8498 9.8847 9.8847 11.6134 11.6134 11.7082 11.7082 11.7367 11.7367 13.8413 13.8413 13.8450 13.8450 k = 0.1250 0.1250 0.1250 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3467 -32.3467 -31.3662 -31.3662 -31.3659 -31.3659 -21.6311 -21.6311 -7.1413 -7.1413 -5.9362 -5.9362 -5.9097 -5.9097 -4.3015 -4.3015 -3.2586 -3.2586 -3.1466 -3.1466 6.8188 6.8188 7.1618 7.1618 7.2081 7.2081 8.5720 8.5720 8.5780 8.5780 9.1405 9.1405 9.6442 9.6442 9.8213 9.8213 9.8559 9.8559 11.6532 11.6532 11.7579 11.7579 11.7859 11.7859 13.9151 13.9151 13.9190 13.9190 k = 0.1319 0.1319 0.1319 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3470 -32.3470 -31.3664 -31.3664 -31.3661 -31.3661 -21.6296 -21.6296 -7.1350 -7.1350 -5.9417 -5.9417 -5.9130 -5.9130 -4.2914 -4.2914 -3.2554 -3.2554 -3.1323 -3.1323 6.7730 6.7730 7.1459 7.1459 7.1913 7.1913 8.5019 8.5019 8.5070 8.5070 9.0463 9.0463 9.6621 9.6621 9.7946 9.7946 9.8289 9.8289 11.6977 11.6977 11.8080 11.8080 11.8357 11.8357 13.9933 13.9933 13.9974 13.9974 k = 0.1389 0.1389 0.1389 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3472 -32.3472 -31.3666 -31.3666 -31.3664 -31.3664 -21.6281 -21.6281 -7.1279 -7.1279 -5.9471 -5.9471 -5.9163 -5.9163 -4.2816 -4.2816 -3.2526 -3.2526 -3.1181 -3.1181 6.7267 6.7267 7.1290 7.1290 7.1733 7.1733 8.4321 8.4321 8.4363 8.4363 8.9516 8.9516 9.6809 9.6809 9.7697 9.7697 9.8035 9.8035 11.7464 11.7464 11.8574 11.8574 11.8849 11.8849 14.0708 14.0708 14.0751 14.0751 k = 0.1458 0.1458 0.1458 ( 4566 PWs) bands (ev): -60.3026 -60.3026 -32.3475 -32.3475 -31.3671 -31.3671 -31.3667 -31.3667 -21.6265 -21.6265 -7.1199 -7.1199 -5.9522 -5.9522 -5.9195 -5.9195 -4.2721 -4.2721 -3.2501 -3.2501 -3.1041 -3.1041 6.6800 6.6800 7.1109 7.1109 7.1541 7.1541 8.3628 8.3628 8.3660 8.3660 8.8554 8.8554 9.7003 9.7003 9.7468 9.7468 9.7802 9.7802 11.7895 11.7895 11.9062 11.9062 11.9335 11.9335 14.1507 14.1507 14.1552 14.1552 k = 0.1528 0.1528 0.1528 ( 4554 PWs) bands (ev): -60.3016 -60.3016 -32.3476 -32.3476 -31.3670 -31.3670 -31.3670 -31.3670 -21.6248 -21.6248 -7.1110 -7.1110 -5.9572 -5.9572 -5.9224 -5.9224 -4.2632 -4.2632 -3.2480 -3.2480 -3.0904 -3.0904 6.6331 6.6331 7.0924 7.0924 7.1344 7.1344 8.2943 8.2943 8.2964 8.2964 8.7594 8.7594 9.7192 9.7192 9.7276 9.7276 9.7591 9.7591 11.8383 11.8383 11.9565 11.9565 11.9837 11.9837 14.2353 14.2353 14.2402 14.2402 k = 0.1597 0.1597 0.1597 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3479 -32.3479 -31.3674 -31.3674 -31.3674 -31.3674 -21.6232 -21.6232 -7.1012 -7.1012 -5.9619 -5.9619 -5.9253 -5.9253 -4.2549 -4.2549 -3.2464 -3.2464 -3.0772 -3.0772 6.5863 6.5863 7.0724 7.0724 7.1132 7.1132 8.2264 8.2264 8.2272 8.2272 8.6626 8.6626 9.7071 9.7071 9.7402 9.7402 9.7422 9.7422 11.8841 11.8841 12.0030 12.0030 12.0302 12.0302 14.3181 14.3181 14.3231 14.3231 k = 0.1667 0.1667 0.1667 ( 4566 PWs) bands (ev): -60.3026 -60.3026 -32.3482 -32.3482 -31.3678 -31.3678 -31.3677 -31.3677 -21.6214 -21.6214 -7.0904 -7.0904 -5.9664 -5.9664 -5.9279 -5.9279 -4.2472 -4.2472 -3.2453 -3.2453 -3.0646 -3.0646 6.5399 6.5399 7.0513 7.0513 7.0907 7.0907 8.1594 8.1594 8.1598 8.1598 8.5654 8.5654 9.6910 9.6910 9.7236 9.7236 9.7637 9.7637 11.9295 11.9295 12.0508 12.0508 12.0779 12.0779 14.3998 14.3998 14.4050 14.4050 k = 0.1736 0.1736 0.1736 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3484 -32.3484 -31.3680 -31.3680 -31.3679 -31.3679 -21.6197 -21.6197 -7.0786 -7.0786 -5.9706 -5.9706 -5.9303 -5.9303 -4.2403 -4.2403 -3.2447 -3.2447 -3.0527 -3.0527 6.4940 6.4940 7.0295 7.0295 7.0676 7.0676 8.0926 8.0926 8.0945 8.0945 8.4685 8.4685 9.6775 9.6775 9.7096 9.7096 9.7859 9.7859 11.9765 11.9765 12.1001 12.1001 12.1271 12.1271 14.4854 14.4854 14.4907 14.4907 k = 0.1806 0.1806 0.1806 ( 4554 PWs) bands (ev): -60.3015 -60.3015 -32.3486 -32.3486 -31.3682 -31.3682 -31.3682 -31.3682 -21.6179 -21.6179 -7.0657 -7.0657 -5.9744 -5.9744 -5.9324 -5.9324 -4.2341 -4.2341 -3.2447 -3.2447 -3.0416 -3.0416 6.4489 6.4489 7.0069 7.0069 7.0437 7.0437 8.0270 8.0270 8.0303 8.0303 8.3716 8.3716 9.6667 9.6667 9.6982 9.6982 9.8088 9.8088 12.0231 12.0231 12.1475 12.1475 12.1744 12.1744 14.5734 14.5734 14.5789 14.5789 k = 0.1875 0.1875 0.1875 ( 4548 PWs) bands (ev): -60.3010 -60.3010 -32.3488 -32.3488 -31.3684 -31.3684 -31.3684 -31.3684 -21.6161 -21.6161 -7.0517 -7.0517 -5.9778 -5.9778 -5.9343 -5.9343 -4.2287 -4.2287 -3.2454 -3.2454 -3.0315 -3.0315 6.4048 6.4048 6.9831 6.9831 7.0185 7.0185 7.9629 7.9629 7.9678 7.9678 8.2751 8.2751 9.6584 9.6584 9.6895 9.6895 9.8323 9.8323 12.0708 12.0708 12.1957 12.1957 12.2225 12.2225 14.6601 14.6601 14.6657 14.6657 k = 0.1944 0.1944 0.1944 ( 4557 PWs) bands (ev): -60.3018 -60.3018 -32.3491 -32.3491 -31.3689 -31.3689 -31.3688 -31.3688 -21.6143 -21.6143 -7.0366 -7.0366 -5.9809 -5.9809 -5.9359 -5.9359 -4.2243 -4.2243 -3.2467 -3.2467 -3.0224 -3.0224 6.3618 6.3618 6.9580 6.9580 6.9919 6.9919 7.8997 7.8997 7.9062 7.9062 8.1793 8.1793 9.6526 9.6526 9.6831 9.6831 9.8564 9.8564 12.1196 12.1196 12.2397 12.2397 12.2666 12.2666 14.7430 14.7430 14.7486 14.7486 k = 0.2014 0.2014 0.2014 ( 4551 PWs) bands (ev): -60.3013 -60.3013 -32.3494 -32.3494 -31.3691 -31.3691 -31.3691 -31.3691 -21.6124 -21.6124 -7.0204 -7.0204 -5.9836 -5.9836 -5.9372 -5.9372 -4.2208 -4.2208 -3.2487 -3.2487 -3.0145 -3.0145 6.3201 6.3201 6.9325 6.9325 6.9650 6.9650 7.8383 7.8383 7.8465 7.8465 8.0840 8.0840 9.6497 9.6497 9.6796 9.6796 9.8809 9.8809 12.1678 12.1678 12.2867 12.2867 12.3137 12.3137 14.8301 14.8301 14.8359 14.8359 k = 0.2083 0.2083 0.2083 ( 4539 PWs) bands (ev): -60.3003 -60.3003 -32.3495 -32.3495 -31.3693 -31.3693 -31.3692 -31.3692 -21.6106 -21.6106 -7.0030 -7.0030 -5.9858 -5.9858 -5.9381 -5.9381 -4.2183 -4.2183 -3.2514 -3.2514 -3.0078 -3.0078 6.2798 6.2798 6.9067 6.9067 6.9378 6.9378 7.7784 7.7784 7.7885 7.7885 7.9895 7.9895 9.6497 9.6497 9.6790 9.6790 9.9059 9.9059 12.2150 12.2150 12.3334 12.3334 12.3604 12.3604 14.9207 14.9207 14.9265 14.9265 k = 0.2153 0.2153 0.2153 ( 4539 PWs) bands (ev): -60.3002 -60.3002 -32.3498 -32.3498 -31.3697 -31.3697 -31.3694 -31.3694 -21.6087 -21.6087 -6.9845 -6.9845 -5.9876 -5.9876 -5.9387 -5.9387 -4.2167 -4.2167 -3.2549 -3.2549 -3.0026 -3.0026 6.2411 6.2411 6.8796 6.8796 6.9093 6.9093 7.7198 7.7198 7.7317 7.7317 7.8964 7.8964 9.6522 9.6522 9.6809 9.6809 9.9313 9.9313 12.2631 12.2631 12.3777 12.3777 12.4049 12.4049 15.0069 15.0069 15.0128 15.0128 k = 0.2222 0.2222 0.2222 ( 4530 PWs) bands (ev): -60.2995 -60.2995 -32.3499 -32.3499 -31.3698 -31.3698 -31.3697 -31.3697 -21.6069 -21.6069 -6.9648 -6.9648 -5.9888 -5.9888 -5.9389 -5.9389 -4.2163 -4.2163 -3.2591 -3.2591 -2.9988 -2.9988 6.2040 6.2040 6.8519 6.8519 6.8802 6.8802 7.6633 7.6633 7.6772 7.6772 7.8041 7.8041 9.6574 9.6574 9.6855 9.6855 9.9571 9.9571 12.3113 12.3113 12.4235 12.4235 12.4507 12.4507 15.0952 15.0952 15.1011 15.1011 k = 0.2292 0.2292 0.2292 ( 4533 PWs) bands (ev): -60.2997 -60.2997 -32.3503 -32.3503 -31.3702 -31.3702 -31.3701 -31.3701 -21.6050 -21.6050 -6.9439 -6.9439 -5.9897 -5.9897 -5.9388 -5.9388 -4.2168 -4.2168 -3.2641 -3.2641 -2.9965 -2.9965 6.1685 6.1685 6.8232 6.8232 6.8501 6.8501 7.6082 7.6082 7.6242 7.6242 7.7130 7.7130 9.6653 9.6653 9.6927 9.6927 9.9832 9.9832 12.3564 12.3564 12.4673 12.4673 12.4945 12.4945 15.1809 15.1809 15.1868 15.1868 k = 0.2361 0.2361 0.2361 ( 4527 PWs) bands (ev): -60.2992 -60.2992 -32.3505 -32.3505 -31.3705 -31.3705 -31.3703 -31.3703 -21.6031 -21.6031 -6.9219 -6.9219 -5.9900 -5.9900 -5.9383 -5.9383 -4.2185 -4.2185 -3.2698 -3.2698 -2.9959 -2.9959 6.1348 6.1348 6.7943 6.7943 6.8197 6.8197 7.5549 7.5549 7.5729 7.5729 7.6241 7.6241 9.6758 9.6758 9.7025 9.7025 10.0095 10.0095 12.4061 12.4061 12.5109 12.5109 12.5383 12.5383 15.2673 15.2673 15.2733 15.2733 k = 0.2431 0.2431 0.2431 ( 4533 PWs) bands (ev): -60.2997 -60.2997 -32.3508 -32.3508 -31.3709 -31.3709 -31.3708 -31.3708 -21.6013 -21.6013 -6.8986 -6.8986 -5.9898 -5.9898 -5.9375 -5.9375 -4.2212 -4.2212 -3.2763 -3.2763 -2.9969 -2.9969 6.1027 6.1027 6.7646 6.7646 6.7887 6.7887 7.5033 7.5033 7.5235 7.5235 7.5361 7.5361 9.6888 9.6888 9.7148 9.7148 10.0362 10.0362 12.4478 12.4478 12.5535 12.5535 12.5809 12.5809 15.3525 15.3525 15.3585 15.3585 k = 0.2500 0.2500 0.2500 ( 4515 PWs) bands (ev): -60.2982 -60.2982 -32.3509 -32.3509 -31.3710 -31.3710 -31.3708 -31.3708 -21.5994 -21.5994 -6.8742 -6.8742 -5.9892 -5.9892 -5.9362 -5.9362 -4.2250 -4.2250 -3.2835 -3.2835 -2.9997 -2.9997 6.0724 6.0724 6.7354 6.7354 6.7581 6.7581 7.4511 7.4511 7.4539 7.4539 7.4764 7.4764 9.7044 9.7044 9.7298 9.7298 10.0630 10.0630 12.4963 12.4963 12.5989 12.5989 12.6264 12.6264 15.4406 15.4406 15.4465 15.4465 k = 0.2569 0.2569 0.2569 ( 4527 PWs) bands (ev): -60.2992 -60.2992 -32.3513 -32.3513 -31.3714 -31.3714 -31.3714 -31.3714 -21.5976 -21.5976 -6.8486 -6.8486 -5.9880 -5.9880 -5.9346 -5.9346 -4.2300 -4.2300 -3.2915 -3.2915 -3.0042 -3.0042 6.0435 6.0435 6.7046 6.7046 6.7259 6.7259 7.3676 7.3676 7.4058 7.4058 7.4306 7.4306 9.7222 9.7222 9.7469 9.7469 10.0899 10.0899 12.5393 12.5393 12.6387 12.6387 12.6663 12.6663 15.5220 15.5220 15.5279 15.5279 k = 0.2639 0.2639 0.2639 ( 4524 PWs) bands (ev): -60.2990 -60.2990 -32.3516 -32.3516 -31.3718 -31.3718 -31.3716 -31.3716 -21.5958 -21.5958 -6.8219 -6.8219 -5.9864 -5.9864 -5.9326 -5.9326 -4.2360 -4.2360 -3.3002 -3.3002 -3.0105 -3.0105 6.0159 6.0159 6.6741 6.6741 6.6941 6.6941 7.2875 7.2875 7.3597 7.3597 7.3867 7.3867 9.7425 9.7425 9.7664 9.7664 10.1169 10.1169 12.5856 12.5856 12.6804 12.6804 12.7082 12.7082 15.6051 15.6051 15.6109 15.6109 k = 0.2708 0.2708 0.2708 ( 4527 PWs) bands (ev): -60.2992 -60.2992 -32.3519 -32.3519 -31.3721 -31.3721 -31.3720 -31.3720 -21.5940 -21.5940 -6.7941 -6.7941 -5.9842 -5.9842 -5.9302 -5.9302 -4.2430 -4.2430 -3.3096 -3.3096 -3.0187 -3.0187 5.9896 5.9896 6.6435 6.6435 6.6622 6.6622 7.2098 7.2098 7.3153 7.3153 7.3447 7.3447 9.7650 9.7650 9.7882 9.7882 10.1440 10.1440 12.6278 12.6278 12.7196 12.7196 12.7475 12.7475 15.6885 15.6885 15.6942 15.6942 k = 0.2778 0.2778 0.2778 ( 4539 PWs) bands (ev): -60.3003 -60.3003 -32.3524 -32.3524 -31.3727 -31.3727 -31.3724 -31.3724 -21.5922 -21.5922 -6.7652 -6.7652 -5.9815 -5.9815 -5.9275 -5.9275 -4.2511 -4.2511 -3.3197 -3.3197 -3.0286 -3.0286 5.9641 5.9641 6.6124 6.6124 6.6297 6.6297 7.1355 7.1355 7.2724 7.2724 7.3042 7.3042 9.7894 9.7894 9.8120 9.8120 10.1710 10.1710 12.6689 12.6689 12.7566 12.7566 12.7847 12.7847 15.7687 15.7687 15.7744 15.7744 k = 0.2847 0.2847 0.2847 ( 4545 PWs) bands (ev): -60.3008 -60.3008 -32.3527 -32.3527 -31.3731 -31.3731 -31.3729 -31.3729 -21.5904 -21.5904 -6.7352 -6.7352 -5.9783 -5.9783 -5.9244 -5.9244 -4.2603 -4.2603 -3.3304 -3.3304 -3.0403 -3.0403 5.9396 5.9396 6.5812 6.5812 6.5973 6.5973 7.0646 7.0646 7.2319 7.2319 7.2660 7.2660 9.8160 9.8160 9.8379 9.8379 10.1980 10.1980 12.7087 12.7087 12.7951 12.7951 12.8232 12.8232 15.8486 15.8486 15.8542 15.8542 k = 0.2917 0.2917 0.2917 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3530 -32.3530 -31.3734 -31.3734 -31.3732 -31.3732 -21.5887 -21.5887 -6.7042 -6.7042 -5.9747 -5.9747 -5.9209 -5.9209 -4.2704 -4.2704 -3.3418 -3.3418 -3.0538 -3.0538 5.9155 5.9155 6.5504 6.5504 6.5653 6.5653 6.9981 6.9981 7.1932 7.1932 7.2296 7.2296 9.8445 9.8445 9.8657 9.8657 10.2249 10.2249 12.7528 12.7528 12.8332 12.8332 12.8616 12.8616 15.9289 15.9289 15.9344 15.9344 k = 0.2986 0.2986 0.2986 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3535 -32.3535 -31.3740 -31.3740 -31.3738 -31.3738 -21.5870 -21.5870 -6.6722 -6.6722 -5.9706 -5.9706 -5.9171 -5.9171 -4.2816 -4.2816 -3.3537 -3.3537 -3.0690 -3.0690 5.8911 5.8911 6.5193 6.5193 6.5330 6.5330 6.9351 6.9351 7.1559 7.1559 7.1946 7.1946 9.8746 9.8746 9.8951 9.8951 10.2516 10.2516 12.7895 12.7895 12.8673 12.8673 12.8958 12.8958 16.0049 16.0049 16.0102 16.0102 k = 0.3056 0.3056 0.3056 ( 4554 PWs) bands (ev): -60.3016 -60.3016 -32.3537 -32.3537 -31.3742 -31.3742 -31.3740 -31.3740 -21.5853 -21.5853 -6.6392 -6.6392 -5.9660 -5.9660 -5.9130 -5.9130 -4.2937 -4.2937 -3.3661 -3.3661 -3.0859 -3.0859 5.8666 5.8666 6.4891 6.4891 6.5017 6.5017 6.8779 6.8779 7.1209 7.1209 7.1619 7.1619 9.9064 9.9064 9.9263 9.9263 10.2780 10.2780 12.8304 12.8304 12.9048 12.9048 12.9335 12.9335 16.0840 16.0840 16.0892 16.0892 k = 0.3125 0.3125 0.3125 ( 4554 PWs) bands (ev): -60.3016 -60.3016 -32.3539 -32.3539 -31.3745 -31.3745 -31.3743 -31.3743 -21.5837 -21.5837 -6.6054 -6.6054 -5.9610 -5.9610 -5.9085 -5.9085 -4.3067 -4.3067 -3.3790 -3.3790 -3.1044 -3.1044 5.8415 5.8415 6.4591 6.4591 6.4706 6.4706 6.8256 6.8256 7.0877 7.0877 7.1308 7.1308 9.9397 9.9397 9.9590 9.9590 10.3042 10.3042 12.8697 12.8697 12.9396 12.9396 12.9685 12.9685 16.1611 16.1611 16.1662 16.1662 k = 0.3194 0.3194 0.3194 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3541 -32.3541 -31.3748 -31.3748 -31.3745 -31.3745 -21.5821 -21.5821 -6.5707 -6.5707 -5.9555 -5.9555 -5.9038 -5.9038 -4.3206 -4.3206 -3.3923 -3.3923 -3.1243 -3.1243 5.8152 5.8152 6.4296 6.4296 6.4401 6.4401 6.7790 6.7790 7.0563 7.0563 7.1016 7.1016 9.9744 9.9744 9.9931 9.9931 10.3300 10.3300 12.9094 12.9094 12.9750 12.9750 13.0041 13.0041 16.2376 16.2376 16.2425 16.2425 k = 0.3264 0.3264 0.3264 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3544 -32.3544 -31.3751 -31.3751 -31.3748 -31.3748 -21.5805 -21.5805 -6.5353 -6.5353 -5.9497 -5.9497 -5.8988 -5.8988 -4.3353 -4.3353 -3.4060 -3.4060 -3.1457 -3.1457 5.7874 5.7874 6.4003 6.4003 6.4098 6.4098 6.7381 6.7381 7.0266 7.0266 7.0739 7.0739 10.0101 10.0101 10.0283 10.0283 10.3555 10.3555 12.9473 12.9473 13.0087 13.0087 13.0380 13.0380 16.3108 16.3108 16.3156 16.3156 k = 0.3333 0.3333 0.3333 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3546 -32.3546 -31.3754 -31.3754 -31.3751 -31.3751 -21.5790 -21.5790 -6.4991 -6.4991 -5.9435 -5.9435 -5.8936 -5.8936 -4.3508 -4.3508 -3.4199 -3.4199 -3.1684 -3.1684 5.7581 5.7581 6.3715 6.3715 6.3801 6.3801 6.7031 6.7031 6.9986 6.9986 7.0478 7.0478 10.0469 10.0469 10.0645 10.0645 10.3805 10.3805 12.9841 12.9841 13.0415 13.0415 13.0710 13.0710 16.3826 16.3826 16.3871 16.3871 k = 0.3403 0.3403 0.3403 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3549 -32.3549 -31.3757 -31.3757 -31.3754 -31.3754 -21.5775 -21.5775 -6.4624 -6.4624 -5.9370 -5.9370 -5.8881 -5.8881 -4.3670 -4.3670 -3.4341 -3.4341 -3.1923 -3.1923 5.7271 5.7271 6.3433 6.3433 6.3510 6.3510 6.6740 6.6740 6.9722 6.9722 7.0233 7.0233 10.0844 10.0844 10.1015 10.1015 10.4050 10.4050 13.0199 13.0199 13.0732 13.0732 13.1030 13.1030 16.4526 16.4526 16.4570 16.4570 k = 0.3472 0.3472 0.3472 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3551 -32.3551 -31.3759 -31.3759 -31.3757 -31.3757 -21.5761 -21.5761 -6.4251 -6.4251 -5.9302 -5.9302 -5.8825 -5.8825 -4.3839 -4.3839 -3.4485 -3.4485 -3.2172 -3.2172 5.6944 5.6944 6.3160 6.3160 6.3229 6.3229 6.6503 6.6503 6.9476 6.9476 7.0003 7.0003 10.1226 10.1226 10.1393 10.1393 10.4289 10.4289 13.0521 13.0521 13.1044 13.1044 13.1343 13.1343 16.5219 16.5219 16.5261 16.5261 k = 0.3542 0.3542 0.3542 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3553 -32.3553 -31.3762 -31.3762 -31.3759 -31.3759 -21.5747 -21.5747 -6.3873 -6.3873 -5.9232 -5.9232 -5.8768 -5.8768 -4.4014 -4.4014 -3.4630 -3.4630 -3.2431 -3.2431 5.6602 5.6602 6.2890 6.2890 6.2951 6.2951 6.6331 6.6331 6.9244 6.9244 6.9787 6.9787 10.1613 10.1613 10.1775 10.1775 10.4522 10.4522 13.0894 13.0894 13.1334 13.1334 13.1639 13.1639 16.5865 16.5865 16.5905 16.5905 k = 0.3611 0.3611 0.3611 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3555 -32.3555 -31.3764 -31.3764 -31.3761 -31.3761 -21.5734 -21.5734 -6.3492 -6.3492 -5.9159 -5.9159 -5.8709 -5.8709 -4.4194 -4.4194 -3.4774 -3.4774 -3.2696 -3.2696 5.6248 5.6248 6.2633 6.2633 6.2688 6.2688 6.6203 6.6203 6.9031 6.9031 6.9587 6.9587 10.2002 10.2002 10.2160 10.2160 10.4749 10.4749 13.1218 13.1218 13.1640 13.1640 13.1946 13.1946 16.6517 16.6517 16.6555 16.6555 k = 0.3681 0.3681 0.3681 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3557 -32.3557 -31.3767 -31.3767 -31.3763 -31.3763 -21.5721 -21.5721 -6.3109 -6.3109 -5.9084 -5.9084 -5.8649 -5.8649 -4.4380 -4.4380 -3.4919 -3.4919 -3.2968 -3.2968 5.5885 5.5885 6.2383 6.2383 6.2431 6.2431 6.6121 6.6121 6.8831 6.8831 6.9399 6.9399 10.2391 10.2391 10.2546 10.2546 10.4968 10.4968 13.1529 13.1529 13.1913 13.1913 13.2223 13.2223 16.7143 16.7143 16.7178 16.7178 k = 0.3750 0.3750 0.3750 ( 4542 PWs) bands (ev): -60.3006 -60.3006 -32.3559 -32.3559 -31.3769 -31.3769 -31.3766 -31.3766 -21.5709 -21.5709 -6.2725 -6.2725 -5.9008 -5.9008 -5.8589 -5.8589 -4.4570 -4.4570 -3.5062 -3.5062 -3.3243 -3.3243 5.5518 5.5518 6.2142 6.2142 6.2184 6.2184 6.6080 6.6080 6.8646 6.8646 6.9223 6.9223 10.2780 10.2780 10.2931 10.2931 10.5180 10.5180 13.1827 13.1827 13.2176 13.2176 13.2488 13.2488 16.7747 16.7747 16.7780 16.7780 k = 0.3819 0.3819 0.3819 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3561 -32.3561 -31.3771 -31.3771 -31.3768 -31.3768 -21.5698 -21.5698 -6.2341 -6.2341 -5.8932 -5.8932 -5.8529 -5.8529 -4.4763 -4.4763 -3.5203 -3.5203 -3.3521 -3.3521 5.5149 5.5149 6.1911 6.1911 6.1948 6.1948 6.6073 6.6073 6.8476 6.8476 6.9060 6.9060 10.3164 10.3164 10.3313 10.3313 10.5384 10.5384 13.2112 13.2112 13.2426 13.2426 13.2742 13.2742 16.8330 16.8330 16.8360 16.8360 k = 0.3889 0.3889 0.3889 ( 4554 PWs) bands (ev): -60.3015 -60.3015 -32.3564 -32.3564 -31.3775 -31.3775 -31.3772 -31.3772 -21.5686 -21.5686 -6.1959 -6.1959 -5.8855 -5.8855 -5.8469 -5.8469 -4.4959 -4.4959 -3.5341 -3.5341 -3.3799 -3.3799 5.4782 5.4782 6.1685 6.1685 6.1717 6.1717 6.6092 6.6092 6.8317 6.8317 6.8906 6.8906 10.3543 10.3543 10.3690 10.3690 10.5579 10.5579 13.2367 13.2367 13.2639 13.2639 13.2960 13.2960 16.8863 16.8863 16.8891 16.8891 k = 0.3958 0.3958 0.3958 ( 4554 PWs) bands (ev): -60.3015 -60.3015 -32.3566 -32.3566 -31.3777 -31.3777 -31.3774 -31.3774 -21.5676 -21.5676 -6.1580 -6.1580 -5.8778 -5.8778 -5.8410 -5.8410 -4.5156 -4.5156 -3.5475 -3.5475 -3.4076 -3.4076 5.4423 5.4423 6.1475 6.1475 6.1503 6.1503 6.6135 6.6135 6.8178 6.8178 6.8767 6.8767 10.3914 10.3914 10.4058 10.4058 10.5765 10.5765 13.2624 13.2624 13.2864 13.2864 13.3189 13.3189 16.9400 16.9400 16.9425 16.9425 k = 0.4028 0.4028 0.4028 ( 4560 PWs) bands (ev): -60.3020 -60.3020 -32.3569 -32.3569 -31.3780 -31.3780 -31.3777 -31.3777 -21.5666 -21.5666 -6.1206 -6.1206 -5.8703 -5.8703 -5.8352 -5.8352 -4.5354 -4.5354 -3.5606 -3.5606 -3.4348 -3.4348 5.4073 5.4073 6.1274 6.1274 6.1297 6.1297 6.6195 6.6195 6.8052 6.8052 6.8636 6.8636 10.4275 10.4275 10.4417 10.4417 10.5941 10.5941 13.2864 13.2864 13.3060 13.3060 13.3392 13.3392 16.9898 16.9898 16.9921 16.9921 k = 0.4097 0.4097 0.4097 ( 4557 PWs) bands (ev): -60.3017 -60.3017 -32.3570 -32.3570 -31.3781 -31.3781 -31.3778 -31.3778 -21.5657 -21.5657 -6.0840 -6.0840 -5.8628 -5.8628 -5.8296 -5.8296 -4.5552 -4.5552 -3.5731 -3.5731 -3.4614 -3.4614 5.3738 5.3738 6.1085 6.1085 6.1106 6.1106 6.6268 6.6268 6.7946 6.7946 6.8521 6.8521 10.4623 10.4623 10.4764 10.4764 10.6107 10.6107 13.3103 13.3103 13.3275 13.3275 13.3611 13.3611 17.0375 17.0375 17.0395 17.0395 k = 0.4167 0.4167 0.4167 ( 4575 PWs) bands (ev): -60.3033 -60.3033 -32.3574 -32.3574 -31.3787 -31.3787 -31.3782 -31.3782 -21.5648 -21.5648 -6.0483 -6.0483 -5.8556 -5.8556 -5.8242 -5.8242 -4.5747 -4.5747 -3.5850 -3.5850 -3.4873 -3.4873 5.3415 5.3415 6.0904 6.0904 6.0921 6.0921 6.6341 6.6341 6.7850 6.7850 6.8408 6.8408 10.4957 10.4957 10.5097 10.5097 10.6263 10.6263 13.3285 13.3285 13.3416 13.3416 13.3761 13.3761 17.0802 17.0802 17.0820 17.0820 k = 0.4236 0.4236 0.4236 ( 4578 PWs) bands (ev): -60.3035 -60.3035 -32.3575 -32.3575 -31.3788 -31.3788 -31.3784 -31.3784 -21.5640 -21.5640 -6.0138 -6.0138 -5.8486 -5.8486 -5.8190 -5.8190 -4.5940 -4.5940 -3.5963 -3.5963 -3.5120 -3.5120 5.3113 5.3113 6.0742 6.0742 6.0756 6.0756 6.6412 6.6412 6.7776 6.7776 6.8310 6.8310 10.5273 10.5273 10.5413 10.5413 10.6409 10.6409 13.3457 13.3457 13.3587 13.3587 13.3931 13.3931 17.1237 17.1237 17.1252 17.1252 k = 0.4306 0.4306 0.4306 ( 4578 PWs) bands (ev): -60.3035 -60.3035 -32.3577 -32.3577 -31.3790 -31.3790 -31.3786 -31.3786 -21.5633 -21.5633 -5.9807 -5.9807 -5.8419 -5.8419 -5.8141 -5.8141 -4.6127 -4.6127 -3.6069 -3.6069 -3.5356 -3.5356 5.2832 5.2832 6.0594 6.0594 6.0605 6.0605 6.6482 6.6482 6.7723 6.7723 6.8222 6.8222 10.5570 10.5570 10.5710 10.5710 10.6543 10.6543 13.3636 13.3636 13.3744 13.3744 13.4093 13.4093 17.1643 17.1643 17.1656 17.1656 k = 0.4375 0.4375 0.4375 ( 4572 PWs) bands (ev): -60.3030 -60.3030 -32.3577 -32.3577 -31.3790 -31.3790 -31.3786 -31.3786 -21.5626 -21.5626 -5.9493 -5.9493 -5.8356 -5.8356 -5.8096 -5.8096 -4.6307 -4.6307 -3.6167 -3.6167 -3.5577 -3.5577 5.2573 5.2573 6.0460 6.0460 6.0468 6.0468 6.6542 6.6542 6.7692 6.7692 6.8148 6.8148 10.5846 10.5846 10.5987 10.5987 10.6666 10.6666 13.3806 13.3806 13.3911 13.3911 13.4260 13.4260 17.2024 17.2024 17.2035 17.2035 k = 0.4444 0.4444 0.4444 ( 4572 PWs) bands (ev): -60.3029 -60.3029 -32.3578 -32.3578 -31.3791 -31.3791 -31.3787 -31.3787 -21.5620 -21.5620 -5.9201 -5.9201 -5.8296 -5.8296 -5.8054 -5.8054 -4.6479 -4.6479 -3.6256 -3.6256 -3.5781 -3.5781 5.2337 5.2337 6.0338 6.0338 6.0345 6.0345 6.6588 6.6588 6.7679 6.7679 6.8078 6.8078 10.6099 10.6099 10.6240 10.6240 10.6778 10.6778 13.3953 13.3953 13.4040 13.4040 13.4393 13.4393 17.2372 17.2372 17.2381 17.2381 k = 0.4514 0.4514 0.4514 ( 4587 PWs) bands (ev): -60.3042 -60.3042 -32.3581 -32.3581 -31.3795 -31.3795 -31.3790 -31.3790 -21.5615 -21.5615 -5.8932 -5.8932 -5.8241 -5.8241 -5.8016 -5.8016 -4.6639 -4.6639 -3.6336 -3.6336 -3.5966 -3.5966 5.2124 5.2124 6.0223 6.0223 6.0228 6.0228 6.6618 6.6618 6.7679 6.7679 6.8012 6.8012 10.6325 10.6325 10.6469 10.6469 10.6879 10.6879 13.4068 13.4068 13.4112 13.4112 13.4478 13.4478 17.2658 17.2658 17.2665 17.2665 k = 0.4583 0.4583 0.4583 ( 4593 PWs) bands (ev): -60.3047 -60.3047 -32.3582 -32.3582 -31.3797 -31.3797 -31.3792 -31.3792 -21.5610 -21.5610 -5.8693 -5.8693 -5.8189 -5.8189 -5.7982 -5.7982 -4.6785 -4.6785 -3.6407 -3.6407 -3.6131 -3.6131 5.1938 5.1938 6.0127 6.0127 6.0131 6.0131 6.6636 6.6636 6.7695 6.7695 6.7957 6.7957 10.6524 10.6524 10.6671 10.6671 10.6968 10.6968 13.4174 13.4174 13.4190 13.4190 13.4567 13.4567 17.2932 17.2932 17.2937 17.2937 k = 0.4653 0.4653 0.4653 ( 4605 PWs) bands (ev): -60.3057 -60.3057 -32.3584 -32.3584 -31.3799 -31.3799 -31.3795 -31.3795 -21.5606 -21.5606 -5.8489 -5.8489 -5.8138 -5.8138 -5.7953 -5.7953 -4.6915 -4.6915 -3.6468 -3.6468 -3.6273 -3.6273 5.1779 5.1779 6.0042 6.0042 6.0044 6.0044 6.6643 6.6643 6.7718 6.7718 6.7908 6.7908 10.6692 10.6692 10.6845 10.6845 10.7045 10.7045 13.4240 13.4240 13.4257 13.4257 13.4633 13.4633 17.3151 17.3151 17.3154 17.3154 k = 0.4722 0.4722 0.4722 ( 4611 PWs) bands (ev): -60.3062 -60.3062 -32.3586 -32.3586 -31.3801 -31.3801 -31.3796 -31.3796 -21.5603 -21.5603 -5.8328 -5.8328 -5.8084 -5.8084 -5.7929 -5.7929 -4.7026 -4.7026 -3.6518 -3.6518 -3.6392 -3.6392 5.1648 5.1648 5.9969 5.9969 5.9971 5.9971 6.6645 6.6645 6.7748 6.7748 6.7870 6.7870 10.6829 10.6829 10.6989 10.6989 10.7113 10.7113 13.4289 13.4289 13.4345 13.4345 13.4708 13.4708 17.3329 17.3329 17.3332 17.3332 k = 0.4792 0.4792 0.4792 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3802 -31.3802 -31.3802 -31.3802 -21.5601 -21.5601 -5.8221 -5.8221 -5.8019 -5.8019 -5.7910 -5.7910 -4.7116 -4.7116 -3.6557 -3.6557 -3.6486 -3.6486 5.1544 5.1544 5.9911 5.9911 5.9912 5.9912 6.6636 6.6636 6.7764 6.7764 6.7840 6.7840 10.6933 10.6933 10.7103 10.7103 10.7169 10.7169 13.4319 13.4319 13.4327 13.4327 13.4706 13.4706 17.3468 17.3468 17.3469 17.3469 k = 0.4861 0.4861 0.4861 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5599 -21.5599 -5.8163 -5.8163 -5.7952 -5.7952 -5.7897 -5.7897 -4.7181 -4.7181 -3.6586 -3.6586 -3.6554 -3.6554 5.1471 5.1471 5.9874 5.9874 5.9875 5.9875 6.6634 6.6634 6.7786 6.7786 6.7820 6.7820 10.7005 10.7005 10.7185 10.7185 10.7212 10.7212 13.4361 13.4361 13.4365 13.4365 13.4746 13.4746 17.3588 17.3588 17.3588 17.3588 k = 0.4931 0.4931 0.4931 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5598 -21.5598 -5.8136 -5.8136 -5.7903 -5.7903 -5.7888 -5.7888 -4.7221 -4.7221 -3.6603 -3.6603 -3.6595 -3.6595 5.1427 5.1427 5.9852 5.9852 5.9853 5.9853 6.6632 6.6632 6.7800 6.7800 6.7809 6.7809 10.7046 10.7046 10.7234 10.7234 10.7241 10.7241 13.4387 13.4387 13.4388 13.4388 13.4769 13.4769 17.3661 17.3661 17.3661 17.3661 k = 0.5000 0.5000 0.5000 ( 4632 PWs) bands (ev): -60.3081 -60.3081 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5597 -21.5597 -5.8128 -5.8128 -5.7886 -5.7886 -5.7886 -5.7886 -4.7235 -4.7235 -3.6608 -3.6608 -3.6608 -3.6608 5.1412 5.1412 5.9845 5.9845 5.9845 5.9845 6.6631 6.6631 6.7805 6.7805 6.7805 6.7805 10.7059 10.7059 10.7251 10.7251 10.7251 10.7251 13.4395 13.4395 13.4395 13.4395 13.4777 13.4777 17.3685 17.3685 17.3685 17.3685 k = 0.5000 0.5000 0.5000 ( 4632 PWs) bands (ev): -60.3081 -60.3081 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5597 -21.5597 -5.8128 -5.8128 -5.7886 -5.7886 -5.7886 -5.7886 -4.7235 -4.7235 -3.6608 -3.6608 -3.6608 -3.6608 5.1412 5.1412 5.9845 5.9845 5.9845 5.9845 6.6631 6.6631 6.7805 6.7805 6.7805 6.7805 10.7059 10.7059 10.7251 10.7251 10.7251 10.7251 13.4395 13.4395 13.4395 13.4395 13.4777 13.4777 17.3685 17.3685 17.3685 17.3685 k = 0.4915 0.5000 0.4915 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5598 -21.5598 -5.8136 -5.8136 -5.7902 -5.7902 -5.7889 -5.7889 -4.7221 -4.7221 -3.6602 -3.6602 -3.6595 -3.6595 5.1426 5.1426 5.9849 5.9849 5.9856 5.9856 6.6632 6.6632 6.7799 6.7799 6.7809 6.7809 10.7046 10.7046 10.7233 10.7233 10.7242 10.7242 13.4386 13.4386 13.4389 13.4389 13.4770 13.4770 17.3649 17.3649 17.3673 17.3673 k = 0.4831 0.5000 0.4831 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3802 -31.3802 -21.5599 -21.5599 -5.8162 -5.8162 -5.7951 -5.7951 -5.7899 -5.7899 -4.7182 -4.7182 -3.6584 -3.6584 -3.6556 -3.6556 5.1470 5.1470 5.9859 5.9859 5.9890 5.9890 6.6634 6.6634 6.7783 6.7783 6.7823 6.7823 10.7004 10.7004 10.7182 10.7182 10.7216 10.7216 13.4359 13.4359 13.4368 13.4368 13.4746 13.4746 17.3541 17.3541 17.3637 17.3637 k = 0.4746 0.5000 0.4746 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3802 -31.3802 -21.5601 -21.5601 -5.8211 -5.8211 -5.8026 -5.8026 -5.7912 -5.7912 -4.7116 -4.7116 -3.6553 -3.6553 -3.6491 -3.6491 5.1542 5.1542 5.9878 5.9878 5.9945 5.9945 6.6635 6.6635 6.7758 6.7758 6.7847 6.7847 10.6930 10.6930 10.7099 10.7099 10.7178 10.7178 13.4314 13.4314 13.4333 13.4333 13.4707 13.4707 17.3364 17.3364 17.3577 17.3577 k = 0.4661 0.5000 0.4661 ( 4614 PWs) bands (ev): -60.3065 -60.3065 -32.3586 -32.3586 -31.3802 -31.3802 -31.3796 -31.3796 -21.5603 -21.5603 -5.8296 -5.8296 -5.8117 -5.8117 -5.7926 -5.7926 -4.7027 -4.7027 -3.6511 -3.6511 -3.6401 -3.6401 5.1644 5.1644 5.9911 5.9911 6.0030 6.0030 6.6638 6.6638 6.7731 6.7731 6.7889 6.7889 10.6818 10.6818 10.6986 10.6986 10.7131 10.7131 13.4300 13.4300 13.4316 13.4316 13.4692 13.4692 17.3153 17.3153 17.3525 17.3525 k = 0.4576 0.5000 0.4576 ( 4594 PWs) bands (ev): -60.3048 -60.3048 -32.3583 -32.3583 -31.3799 -31.3799 -31.3792 -31.3792 -21.5606 -21.5606 -5.8425 -5.8425 -5.8213 -5.8213 -5.7938 -5.7938 -4.6916 -4.6916 -3.6457 -3.6457 -3.6287 -3.6287 5.1773 5.1773 5.9947 5.9947 6.0143 6.0143 6.6637 6.6637 6.7705 6.7705 6.7937 6.7937 10.6668 10.6668 10.6846 10.6846 10.7075 10.7075 13.4260 13.4260 13.4302 13.4302 13.4669 13.4669 17.2905 17.2905 17.3427 17.3427 k = 0.4492 0.5000 0.4492 ( 4598 PWs) bands (ev): -60.3051 -60.3051 -32.3583 -32.3583 -31.3799 -31.3799 -31.3792 -31.3792 -21.5610 -21.5610 -5.8599 -5.8599 -5.8312 -5.8312 -5.7949 -5.7949 -4.6786 -4.6786 -3.6391 -3.6391 -3.6151 -3.6151 5.1925 5.1925 5.9991 5.9991 6.0263 6.0263 6.6616 6.6616 6.7673 6.7673 6.7991 6.7991 10.6478 10.6478 10.6680 10.6680 10.7010 10.7010 13.4147 13.4147 13.4212 13.4212 13.4572 13.4572 17.2543 17.2543 17.3303 17.3303 k = 0.4407 0.5000 0.4407 ( 4586 PWs) bands (ev): -60.3041 -60.3041 -32.3581 -32.3581 -31.3796 -31.3796 -31.3789 -31.3789 -21.5615 -21.5615 -5.8809 -5.8809 -5.8417 -5.8417 -5.7959 -5.7959 -4.6638 -4.6638 -3.6314 -3.6314 -3.5993 -3.5993 5.2102 5.2102 6.0052 6.0052 6.0415 6.0415 6.6583 6.6583 6.7656 6.7656 6.8062 6.8062 10.6252 10.6252 10.6492 10.6492 10.6935 10.6935 13.4032 13.4032 13.4152 13.4152 13.4499 13.4499 17.2171 17.2171 17.3178 17.3178 k = 0.4322 0.5000 0.4322 ( 4586 PWs) bands (ev): -60.3041 -60.3041 -32.3580 -32.3580 -31.3796 -31.3796 -31.3788 -31.3788 -21.5620 -21.5620 -5.9049 -5.9049 -5.8531 -5.8531 -5.7967 -5.7967 -4.6477 -4.6477 -3.6225 -3.6225 -3.5816 -3.5816 5.2300 5.2300 6.0117 6.0117 6.0577 6.0577 6.6527 6.6527 6.7649 6.7649 6.8144 6.8144 10.5991 10.5991 10.6281 10.6281 10.6850 10.6850 13.3889 13.3889 13.4051 13.4051 13.4390 13.4390 17.1711 17.1711 17.3012 17.3012 k = 0.4237 0.5000 0.4237 ( 4582 PWs) bands (ev): -60.3038 -60.3038 -32.3578 -32.3578 -31.3795 -31.3795 -31.3785 -31.3785 -21.5626 -21.5626 -5.9314 -5.9314 -5.8653 -5.8653 -5.7975 -5.7975 -4.6304 -4.6304 -3.6127 -3.6127 -3.5621 -3.5621 5.2517 5.2517 6.0196 6.0196 6.0765 6.0765 6.6448 6.6448 6.7661 6.7661 6.8244 6.8244 10.5699 10.5699 10.6049 10.6049 10.6753 10.6753 13.3736 13.3736 13.3939 13.3939 13.4275 13.4275 17.1225 17.1225 17.2838 17.2838 k = 0.4153 0.5000 0.4153 ( 4570 PWs) bands (ev): -60.3028 -60.3028 -32.3576 -32.3576 -31.3792 -31.3792 -31.3782 -31.3782 -21.5632 -21.5632 -5.9601 -5.9601 -5.8781 -5.8781 -5.7982 -5.7982 -4.6122 -4.6122 -3.6018 -3.6018 -3.5410 -3.5410 5.2751 5.2751 6.0294 6.0294 6.0973 6.0973 6.6350 6.6350 6.7695 6.7695 6.8361 6.8361 10.5377 10.5377 10.5797 10.5797 10.6645 10.6645 13.3569 13.3569 13.3845 13.3845 13.4177 13.4177 17.0697 17.0697 17.2665 17.2665 k = 0.4068 0.5000 0.4068 ( 4570 PWs) bands (ev): -60.3028 -60.3028 -32.3574 -32.3574 -31.3791 -31.3791 -31.3779 -31.3779 -21.5639 -21.5639 -5.9908 -5.9908 -5.8914 -5.8914 -5.7989 -5.7989 -4.5933 -4.5933 -3.5899 -3.5899 -3.5185 -3.5185 5.2997 5.2997 6.0402 6.0402 6.1197 6.1197 6.6229 6.6229 6.7741 6.7741 6.8494 6.8494 10.5028 10.5028 10.5527 10.5527 10.6523 10.6523 13.3367 13.3367 13.3710 13.3710 13.4043 13.4043 17.0110 17.0110 17.2445 17.2445 k = 0.3983 0.5000 0.3983 ( 4566 PWs) bands (ev): -60.3025 -60.3025 -32.3573 -32.3573 -31.3790 -31.3790 -31.3776 -31.3776 -21.5647 -21.5647 -6.0233 -6.0233 -5.9049 -5.9049 -5.7997 -5.7997 -4.5739 -4.5739 -3.5772 -3.5772 -3.4948 -3.4948 5.3254 5.3254 6.0529 6.0529 6.1442 6.1442 6.6093 6.6093 6.7802 6.7802 6.8650 6.8650 10.4655 10.4655 10.5240 10.5240 10.6389 10.6389 13.3169 13.3169 13.3565 13.3565 13.3903 13.3903 16.9489 16.9489 17.2219 17.2219 k = 0.3898 0.5000 0.3898 ( 4550 PWs) bands (ev): -60.3011 -60.3011 -32.3569 -32.3569 -31.3787 -31.3787 -31.3771 -31.3771 -21.5655 -21.5655 -6.0573 -6.0573 -5.9186 -5.9186 -5.8004 -5.8004 -4.5541 -4.5541 -3.5636 -3.5636 -3.4701 -3.4701 5.3518 5.3518 6.0681 6.0681 6.1711 6.1711 6.5947 6.5947 6.7881 6.7881 6.8829 6.8829 10.4260 10.4260 10.4938 10.4938 10.6242 10.6242 13.2958 13.2958 13.3435 13.3435 13.3796 13.3796 16.8859 16.8859 17.1996 17.1996 k = 0.3814 0.5000 0.3814 ( 4546 PWs) bands (ev): -60.3008 -60.3008 -32.3567 -32.3567 -31.3786 -31.3786 -31.3767 -31.3767 -21.5664 -21.5664 -6.0926 -6.0926 -5.9323 -5.9323 -5.8011 -5.8011 -4.5343 -4.5343 -3.5493 -3.5493 -3.4447 -3.4447 5.3783 5.3783 6.0847 6.0847 6.1993 6.1993 6.5795 6.5795 6.7965 6.7965 6.9026 6.9026 10.3846 10.3846 10.4622 10.4622 10.6080 10.6080 13.2700 13.2700 13.3288 13.3288 13.3649 13.3649 16.8179 16.8179 17.1730 17.1730 k = 0.3729 0.5000 0.3729 ( 4550 PWs) bands (ev): -60.3012 -60.3012 -32.3566 -32.3566 -31.3785 -31.3785 -31.3765 -31.3765 -21.5674 -21.5674 -6.1290 -6.1290 -5.9458 -5.9458 -5.8019 -5.8019 -4.5144 -4.5144 -3.5342 -3.5342 -3.4186 -3.4186 5.4045 5.4045 6.1036 6.1036 6.2287 6.2287 6.5637 6.5637 6.8057 6.8057 6.9246 6.9246 10.3415 10.3415 10.4293 10.4293 10.5903 10.5903 13.2411 13.2411 13.3113 13.3113 13.3489 13.3489 16.7432 16.7432 17.1439 17.1439 k = 0.3644 0.5000 0.3644 ( 4548 PWs) bands (ev): -60.3010 -60.3010 -32.3564 -32.3564 -31.3784 -31.3784 -31.3762 -31.3762 -21.5684 -21.5684 -6.1664 -6.1664 -5.9590 -5.9590 -5.8026 -5.8026 -4.4947 -4.4947 -3.5185 -3.5185 -3.3922 -3.3922 5.4302 5.4302 6.1251 6.1251 6.2599 6.2599 6.5479 6.5479 6.8158 6.8158 6.9497 6.9497 10.2969 10.2969 10.3953 10.3953 10.5711 10.5711 13.2134 13.2134 13.2941 13.2941 13.3329 13.3329 16.6655 16.6655 17.1146 17.1146 k = 0.3559 0.5000 0.3559 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3562 -32.3562 -31.3783 -31.3783 -31.3758 -31.3758 -21.5694 -21.5694 -6.2047 -6.2047 -5.9717 -5.9717 -5.8034 -5.8034 -4.4751 -4.4751 -3.5023 -3.5023 -3.3656 -3.3656 5.4551 5.4551 6.1492 6.1492 6.2933 6.2933 6.5326 6.5326 6.8268 6.8268 6.9772 6.9772 10.2513 10.2513 10.3602 10.3602 10.5504 10.5504 13.1820 13.1820 13.2766 13.2766 13.3169 13.3169 16.5884 16.5884 17.0837 17.0837 k = 0.3475 0.5000 0.3475 ( 4548 PWs) bands (ev): -60.3011 -60.3011 -32.3560 -32.3560 -31.3783 -31.3783 -31.3755 -31.3755 -21.5705 -21.5705 -6.2436 -6.2436 -5.9838 -5.9838 -5.8042 -5.8042 -4.4559 -4.4559 -3.4856 -3.4856 -3.3390 -3.3390 5.4786 5.4786 6.1758 6.1758 6.3275 6.3275 6.5175 6.5175 6.8384 6.8384 7.0076 7.0076 10.2047 10.2047 10.3242 10.3242 10.5280 10.5280 13.1482 13.1482 13.2566 13.2566 13.2995 13.2995 16.5050 16.5050 17.0508 17.0508 k = 0.3390 0.5000 0.3390 ( 4540 PWs) bands (ev): -60.3004 -60.3004 -32.3558 -32.3558 -31.3781 -31.3781 -31.3750 -31.3750 -21.5716 -21.5716 -6.2830 -6.2830 -5.9952 -5.9952 -5.8049 -5.8049 -4.4371 -4.4371 -3.4685 -3.4685 -3.3126 -3.3126 5.5009 5.5009 6.2049 6.2049 6.3641 6.3641 6.5040 6.5040 6.8512 6.8512 7.0411 7.0411 10.1575 10.1575 10.2874 10.2874 10.5040 10.5040 13.1133 13.1133 13.2398 13.2398 13.2843 13.2843 16.4239 16.4239 17.0168 17.0168 k = 0.3305 0.5000 0.3305 ( 4540 PWs) bands (ev): -60.3004 -60.3004 -32.3556 -32.3556 -31.3780 -31.3780 -31.3746 -31.3746 -21.5728 -21.5728 -6.3228 -6.3228 -6.0058 -6.0058 -5.8057 -5.8057 -4.4186 -4.4186 -3.4512 -3.4512 -3.2865 -3.2865 5.5214 5.5214 6.2364 6.2364 6.4013 6.4013 6.4915 6.4915 6.8645 6.8645 7.0779 7.0779 10.1100 10.1100 10.2497 10.2497 10.4782 10.4782 13.0766 13.0766 13.2210 13.2210 13.2674 13.2674 16.3361 16.3361 16.9810 16.9810 k = 0.3220 0.5000 0.3220 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3552 -32.3552 -31.3778 -31.3778 -31.3741 -31.3741 -21.5740 -21.5740 -6.3629 -6.3629 -6.0156 -6.0156 -5.8065 -5.8065 -4.4007 -4.4007 -3.4336 -3.4336 -3.2609 -3.2609 5.5405 5.5405 6.2702 6.2702 6.4399 6.4399 6.4807 6.4807 6.8788 6.8788 7.1184 7.1184 10.0623 10.0623 10.2113 10.2113 10.4507 10.4507 13.0409 13.0409 13.2036 13.2036 13.2519 13.2519 16.2475 16.2475 16.9446 16.9446 k = 0.3136 0.5000 0.3136 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3550 -32.3550 -31.3777 -31.3777 -31.3737 -31.3737 -21.5753 -21.5753 -6.4032 -6.4032 -6.0244 -6.0244 -5.8073 -5.8073 -4.3833 -4.3833 -3.4160 -3.4160 -3.2360 -3.2360 5.5577 5.5577 6.3056 6.3056 6.4712 6.4712 6.4796 6.4796 6.8939 6.8939 7.1621 7.1621 10.0149 10.0149 10.1723 10.1723 10.4213 10.4213 13.0008 13.0008 13.1850 13.1850 13.2352 13.2352 16.1551 16.1551 16.9060 16.9060 k = 0.3051 0.5000 0.3051 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3548 -32.3548 -31.3775 -31.3775 -31.3734 -31.3734 -21.5765 -21.5765 -6.4435 -6.4435 -6.0323 -6.0323 -5.8081 -5.8081 -4.3664 -4.3664 -3.3983 -3.3983 -3.2119 -3.2119 5.5731 5.5731 6.3427 6.3427 6.4642 6.4642 6.5194 6.5194 6.9103 6.9103 7.2092 7.2092 9.9679 9.9679 10.1325 10.1325 10.3901 10.3901 12.9564 12.9564 13.1663 13.1663 13.2220 13.2220 16.0596 16.0596 16.8676 16.8676 k = 0.2966 0.5000 0.2966 ( 4532 PWs) bands (ev): -60.2998 -60.2998 -32.3546 -32.3546 -31.3775 -31.3775 -31.3729 -31.3729 -21.5778 -21.5778 -6.4837 -6.4837 -6.0390 -6.0390 -5.8088 -5.8088 -4.3502 -4.3502 -3.3808 -3.3808 -3.1886 -3.1886 5.5873 5.5873 6.3805 6.3805 6.4593 6.4593 6.5608 6.5608 6.9271 6.9271 7.2605 7.2605 9.9217 9.9217 10.0921 10.0921 10.3570 10.3570 12.9135 12.9135 13.1465 13.1465 13.2059 13.2059 15.9653 15.9653 16.8258 16.8258 k = 0.2881 0.5000 0.2881 ( 4536 PWs) bands (ev): -60.3001 -60.3001 -32.3544 -32.3544 -31.3774 -31.3774 -31.3725 -31.3725 -21.5792 -21.5792 -6.5238 -6.5238 -6.0447 -6.0447 -5.8096 -5.8096 -4.3345 -4.3345 -3.3634 -3.3634 -3.1664 -3.1664 5.6000 5.6000 6.4189 6.4189 6.4573 6.4573 6.6023 6.6023 6.9445 6.9445 7.3155 7.3155 9.8764 9.8764 10.0510 10.0510 10.3220 10.3220 12.8676 12.8676 13.1287 13.1287 13.1883 13.1883 15.8669 15.8669 16.7832 16.7832 k = 0.2797 0.5000 0.2797 ( 4536 PWs) bands (ev): -60.3001 -60.3001 -32.3542 -32.3542 -31.3773 -31.3773 -31.3721 -31.3721 -21.5805 -21.5805 -6.5637 -6.5637 -6.0493 -6.0493 -5.8103 -5.8103 -4.3195 -4.3195 -3.3463 -3.3463 -3.1452 -3.1452 5.6115 5.6115 6.4528 6.4528 6.4631 6.4631 6.6444 6.6444 6.9633 6.9633 7.3746 7.3746 9.8325 9.8325 10.0093 10.0093 10.2852 10.2852 12.8214 12.8214 13.1117 13.1117 13.1730 13.1730 15.7672 15.7672 16.7394 16.7394 k = 0.2712 0.5000 0.2712 ( 4528 PWs) bands (ev): -60.2994 -60.2994 -32.3539 -32.3539 -31.3771 -31.3771 -31.3716 -31.3716 -21.5819 -21.5819 -6.6032 -6.6032 -6.0527 -6.0527 -5.8111 -5.8111 -4.3052 -4.3052 -3.3296 -3.3296 -3.1251 -3.1251 5.6221 5.6221 6.4599 6.4599 6.4991 6.4991 6.6869 6.6869 6.9832 6.9832 7.4378 7.4378 9.7902 9.7902 9.9669 9.9669 10.2464 10.2464 12.7747 12.7747 13.0969 13.0969 13.1593 13.1593 15.6685 15.6685 16.6966 16.6966 k = 0.2627 0.5000 0.2627 ( 4532 PWs) bands (ev): -60.2997 -60.2997 -32.3537 -32.3537 -31.3770 -31.3770 -31.3712 -31.3712 -21.5832 -21.5832 -6.6422 -6.6422 -6.0549 -6.0549 -5.8118 -5.8118 -4.2916 -4.2916 -3.3134 -3.3134 -3.1061 -3.1061 5.6314 5.6314 6.4665 6.4665 6.5380 6.5380 6.7289 6.7289 7.0039 7.0039 7.5045 7.5045 9.7497 9.7497 9.9238 9.9238 10.2057 10.2057 12.7251 12.7251 13.0810 13.0810 13.1444 13.1444 15.5646 15.5646 16.6501 16.6501 k = 0.2542 0.5000 0.2542 ( 4538 PWs) bands (ev): -60.3002 -60.3002 -32.3535 -32.3535 -31.3770 -31.3770 -31.3709 -31.3709 -21.5846 -21.5846 -6.6808 -6.6808 -6.0560 -6.0560 -5.8125 -5.8125 -4.2787 -4.2787 -3.2979 -3.2979 -3.0882 -3.0882 5.6399 5.6399 6.4759 6.4759 6.5767 6.5767 6.7703 6.7703 7.0257 7.0257 7.5749 7.5749 9.7112 9.7112 9.8800 9.8800 10.1631 10.1631 12.6756 12.6756 13.0639 13.0639 13.1305 13.1305 15.4582 15.4582 16.6025 16.6025 k = 0.2458 0.5000 0.2458 ( 4538 PWs) bands (ev): -60.3002 -60.3002 -32.3533 -32.3533 -31.3769 -31.3769 -31.3704 -31.3704 -21.5860 -21.5860 -6.7188 -6.7188 -6.0559 -6.0559 -5.8131 -5.8131 -4.2665 -4.2665 -3.2831 -3.2831 -3.0715 -3.0715 5.6478 5.6478 6.4889 6.4889 6.6150 6.6150 6.8120 6.8120 7.0487 7.0487 7.6488 7.6488 9.6752 9.6752 9.8355 9.8355 10.1187 10.1187 12.6240 12.6240 13.0500 13.0500 13.1178 13.1178 15.3539 15.3539 16.5544 16.5544 k = 0.2373 0.5000 0.2373 ( 4530 PWs) bands (ev): -60.2995 -60.2995 -32.3530 -32.3530 -31.3767 -31.3767 -31.3699 -31.3699 -21.5874 -21.5874 -6.7561 -6.7561 -6.0547 -6.0547 -5.8138 -5.8138 -4.2551 -4.2551 -3.2691 -3.2691 -3.0558 -3.0558 5.6551 5.6551 6.5057 6.5057 6.6528 6.6528 6.8532 6.8532 7.0728 7.0728 7.7264 7.7264 9.6418 9.6418 9.7903 9.7903 10.0725 10.0725 12.5733 12.5733 13.0402 13.0402 13.1068 13.1068 15.2497 15.2497 16.5057 16.5057 k = 0.2288 0.5000 0.2288 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3528 -32.3528 -31.3766 -31.3766 -31.3696 -31.3696 -21.5887 -21.5887 -6.7927 -6.7927 -6.0523 -6.0523 -5.8144 -5.8144 -4.2444 -4.2444 -3.2561 -3.2561 -3.0411 -3.0411 5.6617 5.6617 6.5253 6.5253 6.6902 6.6902 6.8925 6.8925 7.0981 7.0981 7.8065 7.8065 9.6113 9.6113 9.7442 9.7442 10.0245 10.0245 12.5189 12.5189 13.0267 13.0267 13.0957 13.0957 15.1399 15.1399 16.4569 16.4569 k = 0.2203 0.5000 0.2203 ( 4544 PWs) bands (ev): -60.3006 -60.3006 -32.3527 -32.3527 -31.3766 -31.3766 -31.3692 -31.3692 -21.5901 -21.5901 -6.8285 -6.8285 -6.0489 -6.0489 -5.8150 -5.8150 -4.2346 -4.2346 -3.2442 -3.2442 -3.0273 -3.0273 5.6678 5.6678 6.5485 6.5485 6.7266 6.7266 6.9315 6.9315 7.1241 7.1241 7.8890 7.8890 9.5840 9.5840 9.6972 9.6972 9.9747 9.9747 12.4629 12.4629 13.0139 13.0139 13.0831 13.0831 15.0342 15.0342 16.4037 16.4037 k = 0.2119 0.5000 0.2119 ( 4548 PWs) bands (ev): -60.3010 -60.3010 -32.3525 -32.3525 -31.3766 -31.3766 -31.3689 -31.3689 -21.5915 -21.5915 -6.8635 -6.8635 -6.0443 -6.0443 -5.8155 -5.8155 -4.2255 -4.2255 -3.2334 -3.2334 -3.0144 -3.0144 5.6737 5.6737 6.5753 6.5753 6.7623 6.7623 6.9692 6.9692 7.1517 7.1517 7.9743 7.9743 9.5601 9.5601 9.6494 9.6494 9.9234 9.9234 12.4055 12.4055 13.0024 13.0024 13.0732 13.0732 14.9276 14.9276 16.3525 16.3525 k = 0.2034 0.5000 0.2034 ( 4544 PWs) bands (ev): -60.3006 -60.3006 -32.3522 -32.3522 -31.3764 -31.3764 -31.3684 -31.3684 -21.5928 -21.5928 -6.8975 -6.8975 -6.0387 -6.0387 -5.8161 -5.8161 -4.2173 -4.2173 -3.2239 -3.2239 -3.0021 -3.0021 5.6792 5.6792 6.6060 6.6060 6.7974 6.7974 7.0056 7.0056 7.1805 7.1805 8.0618 8.0618 9.5396 9.5396 9.6010 9.6010 9.8706 9.8706 12.3484 12.3484 12.9953 12.9953 13.0651 13.0651 14.8223 14.8223 16.3015 16.3015 k = 0.1949 0.5000 0.1949 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3519 -32.3519 -31.3762 -31.3762 -31.3678 -31.3678 -21.5941 -21.5941 -6.9305 -6.9305 -6.0322 -6.0322 -5.8166 -5.8166 -4.2100 -4.2100 -3.2157 -3.2157 -2.9904 -2.9904 5.6848 5.6848 6.6404 6.6404 6.8318 6.8318 7.0403 7.0403 7.2104 7.2104 8.1514 8.1514 9.5223 9.5223 9.5525 9.5525 9.8163 9.8163 12.2920 12.2920 12.9903 12.9903 13.0572 13.0572 14.7193 14.7193 16.2503 16.2503 k = 0.1864 0.5000 0.1864 ( 4546 PWs) bands (ev): -60.3008 -60.3008 -32.3518 -32.3518 -31.3762 -31.3762 -31.3676 -31.3676 -21.5954 -21.5954 -6.9626 -6.9626 -6.0247 -6.0247 -5.8170 -5.8170 -4.2035 -4.2035 -3.2089 -3.2089 -2.9792 -2.9792 5.6893 5.6893 6.6778 6.6778 6.8650 6.8650 7.0724 7.0724 7.2415 7.2415 8.2419 8.2419 9.4957 9.4957 9.5158 9.5158 9.7606 9.7606 12.2295 12.2295 12.9833 12.9833 13.0499 13.0499 14.6115 14.6115 16.1966 16.1966 k = 0.1780 0.5000 0.1780 ( 4538 PWs) bands (ev): -60.3001 -60.3001 -32.3515 -32.3515 -31.3760 -31.3760 -31.3671 -31.3671 -21.5967 -21.5967 -6.9935 -6.9935 -6.0163 -6.0163 -5.8175 -5.8175 -4.1979 -4.1979 -3.2035 -3.2035 -2.9685 -2.9685 5.6945 5.6945 6.7187 6.7187 6.8980 6.8980 7.1028 7.1028 7.2743 7.2743 8.3341 8.3341 9.4465 9.4465 9.5049 9.5049 9.7038 9.7038 12.1723 12.1723 12.9779 12.9779 13.0462 13.0462 14.5075 14.5075 16.1465 16.1465 k = 0.1695 0.5000 0.1695 ( 4534 PWs) bands (ev): -60.2998 -60.2998 -32.3513 -32.3513 -31.3758 -31.3758 -31.3667 -31.3667 -21.5979 -21.5979 -7.0233 -7.0233 -6.0072 -6.0072 -5.8179 -5.8179 -4.1932 -4.1932 -3.1995 -3.1995 -2.9581 -2.9581 5.6993 5.6993 6.7629 6.7629 6.9303 6.9303 7.1309 7.1309 7.3079 7.3079 8.4270 8.4270 9.3941 9.3941 9.5003 9.5003 9.6458 9.6458 12.1122 12.1122 12.9742 12.9742 13.0409 13.0409 14.4044 14.4044 16.0974 16.0974 k = 0.1610 0.5000 0.1610 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3512 -32.3512 -31.3758 -31.3758 -31.3665 -31.3665 -21.5992 -21.5992 -7.0519 -7.0519 -5.9974 -5.9974 -5.8183 -5.8183 -4.1893 -4.1893 -3.1967 -3.1967 -2.9480 -2.9480 5.7034 5.7034 6.8101 6.8101 6.9614 6.9614 7.1560 7.1560 7.3426 7.3426 8.5202 8.5202 9.3402 9.3402 9.4998 9.4998 9.5868 9.5868 12.0510 12.0510 12.9691 12.9691 13.0351 13.0351 14.2975 14.2975 16.0451 16.0451 k = 0.1525 0.5000 0.1525 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3510 -32.3510 -31.3757 -31.3757 -31.3662 -31.3662 -21.6003 -21.6003 -7.0793 -7.0793 -5.9870 -5.9870 -5.8187 -5.8187 -4.1863 -4.1863 -3.1952 -3.1952 -2.9382 -2.9382 5.7077 5.7077 6.8604 6.8604 6.9918 6.9918 7.1793 7.1793 7.3786 7.3786 8.6138 8.6138 9.2851 9.2851 9.5037 9.5037 9.5270 9.5270 11.9900 11.9900 12.9665 12.9665 13.0309 13.0309 14.1971 14.1971 15.9942 15.9942 k = 0.1441 0.5000 0.1441 ( 4548 PWs) bands (ev): -60.3010 -60.3010 -32.3508 -32.3508 -31.3756 -31.3756 -31.3659 -31.3659 -21.6014 -21.6014 -7.1055 -7.1055 -5.9761 -5.9761 -5.8190 -5.8190 -4.1842 -4.1842 -3.1948 -3.1948 -2.9286 -2.9286 5.7117 5.7117 6.9137 6.9137 7.0213 7.0213 7.2002 7.2002 7.4156 7.4156 8.7070 8.7070 9.2288 9.2288 9.4664 9.4664 9.5116 9.5116 11.9274 11.9274 12.9647 12.9647 13.0259 13.0259 14.0985 14.0985 15.9439 15.9439 k = 0.1356 0.5000 0.1356 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3506 -32.3506 -31.3755 -31.3755 -31.3654 -31.3654 -21.6025 -21.6025 -7.1303 -7.1303 -5.9647 -5.9647 -5.8193 -5.8193 -4.1829 -4.1829 -3.1953 -3.1953 -2.9194 -2.9194 5.7160 5.7160 6.9697 6.9697 7.0498 7.0498 7.2187 7.2187 7.4539 7.4539 8.8003 8.8003 9.1712 9.1712 9.4053 9.4053 9.5234 9.5234 11.8680 11.8680 12.9646 12.9646 13.0230 13.0230 14.0044 14.0044 15.8957 15.8957 k = 0.1271 0.5000 0.1271 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3504 -32.3504 -31.3754 -31.3754 -31.3651 -31.3651 -21.6036 -21.6036 -7.1538 -7.1538 -5.9531 -5.9531 -5.8196 -5.8196 -4.1823 -4.1823 -3.1967 -3.1967 -2.9105 -2.9105 5.7195 5.7195 7.0285 7.0285 7.0775 7.0775 7.2344 7.2344 7.4932 7.4932 8.8927 8.8927 9.1126 9.1126 9.3438 9.3438 9.5382 9.5382 11.8070 11.8070 12.9665 12.9665 13.0210 13.0210 13.9078 13.9078 15.8476 15.8476 k = 0.1186 0.5000 0.1186 ( 4538 PWs) bands (ev): -60.3001 -60.3001 -32.3502 -32.3502 -31.3752 -31.3752 -31.3648 -31.3648 -21.6045 -21.6045 -7.1760 -7.1760 -5.9413 -5.9413 -5.8198 -5.8198 -4.1825 -4.1825 -3.1988 -3.1988 -2.9020 -2.9020 5.7231 5.7231 7.0882 7.0882 7.1053 7.1053 7.2483 7.2483 7.5339 7.5339 8.9838 8.9838 9.0526 9.0526 9.2821 9.2821 9.5563 9.5563 11.7461 11.7461 12.9681 12.9681 13.0207 13.0207 13.8178 13.8178 15.8011 15.8011 k = 0.1102 0.5000 0.1102 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3501 -32.3501 -31.3752 -31.3752 -31.3646 -31.3646 -21.6055 -21.6055 -7.1967 -7.1967 -5.9295 -5.9295 -5.8200 -5.8200 -4.1834 -4.1834 -3.2015 -3.2015 -2.8938 -2.8938 5.7263 5.7263 7.1269 7.1269 7.1547 7.1547 7.2600 7.2600 7.5753 7.5753 8.9914 8.9914 9.0732 9.0732 9.2204 9.2204 9.5770 9.5770 11.6832 11.6832 12.9691 12.9691 13.0194 13.0194 13.7296 13.7296 15.7557 15.7557 k = 0.1017 0.5000 0.1017 ( 4554 PWs) bands (ev): -60.3015 -60.3015 -32.3501 -32.3501 -31.3753 -31.3753 -31.3645 -31.3645 -21.6063 -21.6063 -7.2161 -7.2161 -5.9178 -5.9178 -5.8203 -5.8203 -4.1848 -4.1848 -3.2045 -3.2045 -2.8861 -2.8861 5.7292 5.7292 7.1513 7.1513 7.2187 7.2187 7.2696 7.2696 7.6174 7.6174 8.9287 8.9287 9.1581 9.1581 9.1614 9.1614 9.5996 9.5996 11.6218 11.6218 12.9671 12.9671 13.0175 13.0175 13.6418 13.6418 15.7120 15.7120 k = 0.0932 0.5000 0.0932 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3498 -32.3498 -31.3751 -31.3751 -31.3640 -31.3640 -21.6072 -21.6072 -7.2340 -7.2340 -5.9063 -5.9063 -5.8204 -5.8204 -4.1867 -4.1867 -3.2077 -3.2077 -2.8788 -2.8788 5.7327 5.7327 7.1739 7.1739 7.2768 7.2768 7.2866 7.2866 7.6606 7.6606 8.8652 8.8652 9.0978 9.0978 9.2460 9.2460 9.6241 9.6241 11.5648 11.5648 12.9710 12.9710 13.0185 13.0185 13.5664 13.5664 15.6726 15.6726 k = 0.0847 0.5000 0.0847 ( 4546 PWs) bands (ev): -60.3008 -60.3008 -32.3498 -32.3498 -31.3751 -31.3751 -31.3639 -31.3639 -21.6079 -21.6079 -7.2504 -7.2504 -5.8952 -5.8952 -5.8206 -5.8206 -4.1890 -4.1890 -3.2111 -3.2111 -2.8720 -2.8720 5.7353 5.7353 7.1947 7.1947 7.2839 7.2839 7.3545 7.3545 7.7041 7.7041 8.8004 8.8004 9.0374 9.0374 9.3282 9.3282 9.6494 9.6494 11.5058 11.5058 12.9727 12.9727 13.0182 13.0182 13.4894 13.4894 15.6339 15.6339 k = 0.0763 0.5000 0.0763 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3496 -32.3496 -31.3750 -31.3750 -31.3637 -31.3637 -21.6086 -21.6086 -7.2653 -7.2653 -5.8846 -5.8846 -5.8207 -5.8207 -4.1916 -4.1916 -3.2145 -3.2145 -2.8658 -2.8658 5.7380 5.7380 7.2140 7.2140 7.2891 7.2891 7.4244 7.4244 7.7480 7.7480 8.7344 8.7344 8.9781 8.9781 9.4072 9.4072 9.6750 9.6750 11.4511 11.4511 12.9748 12.9748 13.0187 13.0187 13.4171 13.4171 15.6005 15.6005 k = 0.0678 0.5000 0.0678 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3494 -32.3494 -31.3748 -31.3748 -31.3633 -31.3633 -21.6092 -21.6092 -7.2787 -7.2787 -5.8746 -5.8746 -5.8208 -5.8208 -4.1944 -4.1944 -3.2178 -3.2178 -2.8602 -2.8602 5.7405 5.7405 7.2315 7.2315 7.2932 7.2932 7.4958 7.4958 7.7918 7.7918 8.6675 8.6675 8.9202 8.9202 9.4819 9.4819 9.7006 9.7006 11.3980 11.3980 12.9791 12.9791 13.0201 13.0201 13.3552 13.3552 15.5685 15.5685 k = 0.0593 0.5000 0.0593 ( 4536 PWs) bands (ev): -60.3000 -60.3000 -32.3493 -32.3493 -31.3748 -31.3748 -31.3632 -31.3632 -21.6098 -21.6098 -7.2905 -7.2905 -5.8654 -5.8654 -5.8209 -5.8209 -4.1972 -4.1972 -3.2209 -3.2209 -2.8551 -2.8551 5.7426 5.7426 7.2470 7.2470 7.2965 7.2965 7.5678 7.5678 7.8352 7.8352 8.5995 8.5995 8.8642 8.8642 9.5515 9.5515 9.7252 9.7252 11.3470 11.3470 12.9813 12.9813 13.0206 13.0206 13.2963 13.2963 15.5390 15.5390 k = 0.0508 0.5000 0.0508 ( 4540 PWs) bands (ev): -60.3003 -60.3003 -32.3493 -32.3493 -31.3747 -31.3747 -31.3631 -31.3631 -21.6102 -21.6102 -7.3008 -7.3008 -5.8572 -5.8572 -5.8211 -5.8211 -4.2000 -4.2000 -3.2237 -3.2237 -2.8507 -2.8507 5.7441 5.7441 7.2605 7.2605 7.2990 7.2990 7.6402 7.6402 7.8778 7.8778 8.5306 8.5306 8.8109 8.8109 9.6151 9.6151 9.7484 9.7484 11.2980 11.2980 12.9831 12.9831 13.0217 13.0217 13.2418 13.2418 15.5127 15.5127 k = 0.0424 0.5000 0.0424 ( 4542 PWs) bands (ev): -60.3005 -60.3005 -32.3493 -32.3493 -31.3747 -31.3747 -31.3630 -31.3630 -21.6107 -21.6107 -7.3096 -7.3096 -5.8499 -5.8499 -5.8211 -5.8211 -4.2025 -4.2025 -3.2262 -3.2262 -2.8469 -2.8469 5.7456 5.7456 7.2719 7.2719 7.3011 7.3011 7.7132 7.7132 7.9182 7.9182 8.4609 8.4609 8.7611 8.7611 9.6716 9.6716 9.7697 9.7697 11.2538 11.2538 12.9847 12.9847 13.0220 13.0220 13.1969 13.1969 15.4901 15.4901 k = 0.0339 0.5000 0.0339 ( 4526 PWs) bands (ev): -60.2991 -60.2991 -32.3490 -32.3490 -31.3744 -31.3744 -31.3627 -31.3627 -21.6110 -21.6110 -7.3167 -7.3167 -5.8439 -5.8439 -5.8212 -5.8212 -4.2048 -4.2048 -3.2283 -3.2283 -2.8438 -2.8438 5.7473 5.7473 7.2809 7.2809 7.3031 7.3031 7.7867 7.7867 7.9562 7.9562 8.3911 8.3911 8.7161 8.7161 9.7198 9.7198 9.7888 9.7888 11.2169 11.2169 12.9900 12.9900 13.0255 13.0255 13.1644 13.1644 15.4740 15.4740 k = 0.0254 0.5000 0.0254 ( 4516 PWs) bands (ev): -60.2982 -60.2982 -32.3488 -32.3488 -31.3743 -31.3743 -31.3625 -31.3625 -21.6112 -21.6112 -7.3223 -7.3223 -5.8390 -5.8390 -5.8212 -5.8212 -4.2066 -4.2066 -3.2300 -3.2300 -2.8414 -2.8414 5.7488 5.7488 7.2874 7.2874 7.3051 7.3051 7.8591 7.8591 7.9894 7.9894 8.3209 8.3209 8.6775 8.6775 9.7576 9.7576 9.8056 9.8056 11.1866 11.1866 12.9921 12.9921 13.0264 13.0264 13.1411 13.1411 15.4608 15.4608 k = 0.0169 0.5000 0.0169 ( 4516 PWs) bands (ev): -60.2982 -60.2982 -32.3488 -32.3488 -31.3744 -31.3744 -31.3623 -31.3623 -21.6114 -21.6114 -7.3263 -7.3263 -5.8355 -5.8355 -5.8212 -5.8212 -4.2080 -4.2080 -3.2312 -3.2312 -2.8396 -2.8396 5.7499 5.7499 7.2914 7.2914 7.3071 7.3071 7.9284 7.9284 8.0164 8.0164 8.2514 8.2514 8.6473 8.6473 9.7835 9.7835 9.8203 9.8203 11.1673 11.1673 12.9912 12.9912 13.0242 13.0242 13.1191 13.1191 15.4509 15.4509 k = 0.0085 0.5000 0.0085 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3489 -32.3489 -31.3744 -31.3744 -31.3625 -31.3625 -21.6116 -21.6116 -7.3287 -7.3287 -5.8334 -5.8334 -5.8213 -5.8213 -4.2089 -4.2089 -3.2320 -3.2320 -2.8386 -2.8386 5.7502 5.7502 7.2935 7.2935 7.3086 7.3086 7.9873 7.9873 8.0398 8.0398 8.1863 8.1863 8.6278 8.6278 9.7974 9.7974 9.8313 9.8313 11.1508 11.1508 12.9900 12.9900 13.0220 13.0220 13.1051 13.1051 15.4443 15.4443 k = 0.0000 0.5000-0.0000 ( 4524 PWs) bands (ev): -60.2989 -60.2989 -32.3489 -32.3489 -31.3744 -31.3744 -31.3624 -31.3624 -21.6116 -21.6116 -7.3295 -7.3295 -5.8327 -5.8327 -5.8213 -5.8213 -4.2092 -4.2092 -3.2322 -3.2322 -2.8382 -2.8382 5.7503 5.7503 7.2941 7.2941 7.3092 7.3092 8.0110 8.0110 8.0596 8.0596 8.1491 8.1491 8.6211 8.6211 9.8016 9.8016 9.8355 9.8355 11.1459 11.1459 12.9901 12.9901 13.0217 13.0217 13.1011 13.1011 15.4421 15.4421 k = 0.5000 0.5000-0.0000 ( 4540 PWs) bands (ev): -60.3006 -60.3006 -32.3535 -32.3535 -31.3800 -31.3800 -31.3676 -31.3676 -21.5848 -21.5848 -6.3430 -6.3430 -6.3243 -6.3243 -6.2159 -6.2159 -4.0557 -4.0557 -3.0806 -3.0806 -2.9843 -2.9843 5.4261 5.4261 5.7486 5.7486 5.9724 5.9724 7.5096 7.5096 7.5147 7.5147 8.3451 8.3451 9.1039 9.1039 9.1341 9.1341 10.6251 10.6251 12.9376 12.9376 12.9668 12.9668 13.2235 13.2235 14.1219 14.1219 17.3841 17.3841 k = 0.5000 0.5000 0.0119 ( 4528 PWs) bands (ev): -60.2996 -60.2996 -32.3534 -32.3534 -31.3799 -31.3799 -31.3674 -31.3674 -21.5848 -21.5848 -6.3422 -6.3422 -6.3237 -6.3237 -6.2154 -6.2154 -4.0564 -4.0564 -3.0814 -3.0814 -2.9852 -2.9852 5.4266 5.4266 5.7501 5.7501 5.9728 5.9728 7.5083 7.5083 7.5132 7.5132 8.3398 8.3398 9.1072 9.1072 9.1371 9.1371 10.6253 10.6253 12.9416 12.9416 12.9707 12.9707 13.2240 13.2240 14.1296 14.1296 17.3860 17.3860 k = 0.5000 0.5000 0.0238 ( 4520 PWs) bands (ev): -60.2989 -60.2989 -32.3533 -32.3533 -31.3798 -31.3798 -31.3673 -31.3673 -21.5846 -21.5846 -6.3401 -6.3401 -6.3221 -6.3221 -6.2140 -6.2140 -4.0588 -4.0588 -3.0839 -3.0839 -2.9877 -2.9877 5.4265 5.4265 5.7544 5.7544 5.9737 5.9737 7.5028 7.5028 7.5068 7.5068 8.3240 8.3240 9.1170 9.1170 9.1462 9.1462 10.6257 10.6257 12.9441 12.9441 12.9731 12.9731 13.2261 13.2261 14.1490 14.1490 17.3902 17.3902 k = 0.5000 0.5000 0.0357 ( 4520 PWs) bands (ev): -60.2989 -60.2989 -32.3533 -32.3533 -31.3798 -31.3798 -31.3674 -31.3674 -21.5845 -21.5845 -6.3366 -6.3366 -6.3195 -6.3195 -6.2117 -6.2117 -4.0626 -4.0626 -3.0880 -3.0880 -2.9920 -2.9920 5.4265 5.4265 5.7615 5.7615 5.9738 5.9738 7.4936 7.4936 7.4961 7.4961 8.2979 8.2979 9.1331 9.1331 9.1612 9.1612 10.6263 10.6263 12.9469 12.9469 12.9758 12.9758 13.2277 13.2277 14.1786 14.1786 17.3901 17.3901 k = 0.5000 0.5000 0.0476 ( 4528 PWs) bands (ev): -60.2995 -60.2995 -32.3534 -32.3534 -31.3798 -31.3798 -31.3677 -31.3677 -21.5842 -21.5842 -6.3318 -6.3318 -6.3157 -6.3157 -6.2084 -6.2084 -4.0680 -4.0680 -3.0936 -3.0936 -2.9979 -2.9979 5.4255 5.4255 5.7714 5.7714 5.9740 5.9740 7.4809 7.4809 7.4816 7.4816 8.2620 8.2620 9.1552 9.1552 9.1817 9.1817 10.6272 10.6272 12.9502 12.9502 12.9790 12.9790 13.2298 13.2298 14.2128 14.2128 17.3901 17.3901 k = 0.5000 0.5000 0.0595 ( 4540 PWs) bands (ev): -60.3006 -60.3006 -32.3536 -32.3536 -31.3799 -31.3799 -31.3681 -31.3681 -21.5839 -21.5839 -6.3256 -6.3256 -6.3110 -6.3110 -6.2043 -6.2043 -4.0749 -4.0749 -3.1009 -3.1009 -3.0054 -3.0054 5.4252 5.4252 5.7839 5.7839 5.9739 5.9739 7.4628 7.4628 7.4643 7.4643 8.2170 8.2170 9.1828 9.1828 9.2075 9.2075 10.6283 10.6283 12.9505 12.9505 12.9791 12.9791 13.2317 13.2317 14.2651 14.2651 17.3890 17.3890 k = 0.5000 0.5000 0.0714 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3537 -32.3537 -31.3798 -31.3798 -31.3682 -31.3682 -21.5836 -21.5836 -6.3181 -6.3181 -6.3051 -6.3051 -6.1992 -6.1992 -4.0833 -4.0833 -3.1096 -3.1096 -3.0146 -3.0146 5.4251 5.4251 5.7991 5.7991 5.9741 5.9741 7.4419 7.4419 7.4460 7.4460 8.1633 8.1633 9.2156 9.2156 9.2382 9.2382 10.6297 10.6297 12.9580 12.9580 12.9862 12.9862 13.2355 13.2355 14.3268 14.3268 17.3891 17.3891 k = 0.5000 0.5000 0.0833 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3537 -32.3537 -31.3798 -31.3798 -31.3684 -31.3684 -21.5831 -21.5831 -6.3092 -6.3092 -6.2983 -6.2983 -6.1933 -6.1933 -4.0931 -4.0931 -3.1198 -3.1198 -3.0253 -3.0253 5.4248 5.4248 5.8168 5.8168 5.9744 5.9744 7.4183 7.4183 7.4252 7.4252 8.1018 8.1018 9.2530 9.2530 9.2734 9.2734 10.6313 10.6313 12.9652 12.9652 12.9932 12.9932 13.2394 13.2394 14.3970 14.3970 17.3891 17.3891 k = 0.5000 0.5000 0.0952 ( 4528 PWs) bands (ev): -60.2995 -60.2995 -32.3537 -32.3537 -31.3797 -31.3797 -31.3685 -31.3685 -21.5826 -21.5826 -6.2992 -6.2992 -6.2904 -6.2904 -6.1865 -6.1865 -4.1043 -4.1043 -3.1315 -3.1315 -3.0375 -3.0375 5.4245 5.4245 5.8372 5.8372 5.9750 5.9750 7.3928 7.3928 7.4028 7.4028 8.0334 8.0334 9.2945 9.2945 9.3125 9.3125 10.6331 10.6331 12.9758 12.9758 13.0035 13.0035 13.2452 13.2452 14.4756 14.4756 17.3903 17.3903 k = 0.5000 0.5000 0.1071 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3539 -32.3539 -31.3797 -31.3797 -31.3689 -31.3689 -21.5821 -21.5821 -6.2879 -6.2879 -6.2815 -6.2815 -6.1788 -6.1788 -4.1169 -4.1169 -3.1444 -3.1444 -3.0512 -3.0512 5.4236 5.4236 5.8597 5.8597 5.9754 5.9754 7.3650 7.3650 7.3781 7.3781 7.9586 7.9586 9.3396 9.3396 9.3552 9.3552 10.6351 10.6351 12.9830 12.9830 13.0104 13.0104 13.2499 13.2499 14.5588 14.5588 17.3902 17.3902 k = 0.5000 0.5000 0.1190 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3540 -32.3540 -31.3798 -31.3798 -31.3691 -31.3691 -21.5815 -21.5815 -6.2755 -6.2755 -6.2716 -6.2716 -6.1703 -6.1703 -4.1307 -4.1307 -3.1587 -3.1587 -3.0664 -3.0664 5.4235 5.4235 5.8844 5.8844 5.9748 5.9748 7.3360 7.3360 7.3524 7.3524 7.8788 7.8788 9.3878 9.3878 9.4010 9.4010 10.6374 10.6374 12.9939 12.9939 13.0209 13.0209 13.2554 13.2554 14.6539 14.6539 17.3857 17.3857 k = 0.5000 0.5000 0.1310 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3541 -32.3541 -31.3798 -31.3798 -31.3694 -31.3694 -21.5808 -21.5808 -6.2619 -6.2619 -6.2608 -6.2608 -6.1610 -6.1610 -4.1458 -4.1458 -3.1741 -3.1741 -3.0828 -3.0828 5.4226 5.4226 5.9111 5.9111 5.9753 5.9753 7.3061 7.3061 7.3257 7.3257 7.7944 7.7944 9.4387 9.4387 9.4495 9.4495 10.6398 10.6398 13.0052 13.0052 13.0318 13.0318 13.2614 13.2614 14.7523 14.7523 17.3858 17.3858 k = 0.5000 0.5000 0.1429 ( 4544 PWs) bands (ev): -60.3009 -60.3009 -32.3543 -32.3543 -31.3798 -31.3798 -31.3699 -31.3699 -21.5801 -21.5801 -6.2490 -6.2490 -6.2474 -6.2474 -6.1510 -6.1510 -4.1621 -4.1621 -3.1906 -3.1906 -3.1005 -3.1005 5.4214 5.4214 5.9396 5.9396 5.9754 5.9754 7.2750 7.2750 7.2979 7.2979 7.7064 7.7064 9.4918 9.4918 9.5003 9.5003 10.6424 10.6424 13.0149 13.0149 13.0411 13.0411 13.2676 13.2676 14.8554 14.8554 17.3841 17.3841 k = 0.5000 0.5000 0.1548 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3544 -32.3544 -31.3797 -31.3797 -31.3701 -31.3701 -21.5793 -21.5793 -6.2363 -6.2363 -6.2319 -6.2319 -6.1402 -6.1402 -4.1795 -4.1795 -3.2081 -3.2081 -3.1195 -3.1195 5.4203 5.4203 5.9700 5.9700 5.9761 5.9761 7.2443 7.2443 7.2705 7.2705 7.6162 7.6162 9.5468 9.5468 9.5531 9.5531 10.6452 10.6452 13.0301 13.0301 13.0559 13.0559 13.2756 13.2756 14.9632 14.9632 17.3846 17.3846 k = 0.5000 0.5000 0.1667 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3545 -32.3545 -31.3797 -31.3797 -31.3704 -31.3704 -21.5785 -21.5785 -6.2228 -6.2228 -6.2154 -6.2154 -6.1287 -6.1287 -4.1979 -4.1979 -3.2266 -3.2266 -3.1395 -3.1395 5.4186 5.4186 5.9766 5.9766 6.0019 6.0019 7.2131 7.2131 7.2425 7.2425 7.5233 7.5233 9.6032 9.6032 9.6074 9.6074 10.6482 10.6482 13.0441 13.0441 13.0695 13.0695 13.2829 13.2829 15.0736 15.0736 17.3846 17.3846 k = 0.5000 0.5000 0.1786 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3547 -32.3547 -31.3796 -31.3796 -31.3708 -31.3708 -21.5777 -21.5777 -6.2084 -6.2084 -6.1982 -6.1982 -6.1165 -6.1165 -4.2173 -4.2173 -3.2458 -3.2458 -3.1605 -3.1605 5.4166 5.4166 5.9771 5.9771 6.0350 6.0350 7.1819 7.1819 7.2145 7.2145 7.4290 7.4290 9.6608 9.6608 9.6630 9.6630 10.6512 10.6512 13.0590 13.0590 13.0840 13.0840 13.2906 13.2906 15.1866 15.1866 17.3847 17.3847 k = 0.5000 0.5000 0.1905 ( 4544 PWs) bands (ev): -60.3009 -60.3009 -32.3549 -32.3549 -31.3797 -31.3797 -31.3713 -31.3713 -21.5769 -21.5769 -6.1932 -6.1932 -6.1803 -6.1803 -6.1038 -6.1038 -4.2376 -4.2376 -3.2657 -3.2657 -3.1824 -3.1824 5.4139 5.4139 5.9774 5.9774 6.0693 6.0693 7.1507 7.1507 7.1863 7.1863 7.3341 7.3341 9.7192 9.7192 9.7195 9.7195 10.6544 10.6544 13.0720 13.0720 13.0966 13.0966 13.2984 13.2984 15.3004 15.3004 17.3840 17.3840 k = 0.5000 0.5000 0.2024 ( 4544 PWs) bands (ev): -60.3009 -60.3009 -32.3551 -32.3551 -31.3796 -31.3796 -31.3717 -31.3717 -21.5760 -21.5760 -6.1772 -6.1772 -6.1617 -6.1617 -6.0904 -6.0904 -4.2587 -4.2587 -3.2862 -3.2862 -3.2051 -3.2051 5.4109 5.4109 5.9780 5.9780 6.1045 6.1045 7.1203 7.1203 7.1588 7.1588 7.2391 7.2391 9.7766 9.7766 9.7780 9.7780 10.6577 10.6577 13.0883 13.0883 13.1126 13.1126 13.3068 13.3068 15.4166 15.4166 17.3841 17.3841 k = 0.5000 0.5000 0.2143 ( 4536 PWs) bands (ev): -60.3002 -60.3002 -32.3551 -32.3551 -31.3795 -31.3795 -31.3720 -31.3720 -21.5751 -21.5751 -6.1605 -6.1605 -6.1426 -6.1426 -6.0765 -6.0765 -4.2805 -4.2805 -3.3072 -3.3072 -3.2285 -3.2285 5.4074 5.4074 5.9793 5.9793 6.1406 6.1406 7.0908 7.0908 7.1318 7.1318 7.1450 7.1450 9.8340 9.8340 9.8370 9.8370 10.6611 10.6611 13.1075 13.1075 13.1314 13.1314 13.3165 13.3165 15.5336 15.5336 17.3866 17.3866 k = 0.5000 0.5000 0.2262 ( 4528 PWs) bands (ev): -60.2995 -60.2995 -32.3552 -32.3552 -31.3794 -31.3794 -31.3723 -31.3723 -21.5742 -21.5742 -6.1431 -6.1431 -6.1230 -6.1230 -6.0622 -6.0622 -4.3030 -4.3030 -3.3285 -3.3285 -3.2526 -3.2526 5.4037 5.4037 5.9800 5.9800 6.1771 6.1771 7.0519 7.0519 7.0619 7.0619 7.1060 7.1060 9.8915 9.8915 9.8960 9.8960 10.6645 10.6645 13.1270 13.1270 13.1504 13.1504 13.3255 13.3255 15.6542 15.6542 17.3869 17.3869 k = 0.5000 0.5000 0.2381 ( 4528 PWs) bands (ev): -60.2995 -60.2995 -32.3553 -32.3553 -31.3794 -31.3794 -31.3727 -31.3727 -21.5732 -21.5732 -6.1251 -6.1251 -6.1031 -6.1031 -6.0475 -6.0475 -4.3260 -4.3260 -3.3500 -3.3500 -3.2770 -3.2770 5.3987 5.3987 5.9806 5.9806 6.2139 6.2139 6.9605 6.9605 7.0336 7.0336 7.0802 7.0802 9.9487 9.9487 9.9545 9.9545 10.6680 10.6680 13.1453 13.1453 13.1683 13.1683 13.3346 13.3346 15.7705 15.7705 17.3870 17.3870 k = 0.5000 0.5000 0.2500 ( 4560 PWs) bands (ev): -60.3022 -60.3022 -32.3559 -32.3559 -31.3799 -31.3799 -31.3735 -31.3735 -21.5723 -21.5723 -6.1066 -6.1066 -6.0831 -6.0831 -6.0324 -6.0324 -4.3495 -4.3495 -3.3717 -3.3717 -3.3019 -3.3019 5.3929 5.3929 5.9793 5.9793 6.2496 6.2496 6.8704 6.8704 7.0054 7.0054 7.0545 7.0545 10.0054 10.0054 10.0125 10.0125 10.6714 10.6714 13.1587 13.1587 13.1814 13.1814 13.3344 13.3344 15.8824 15.8824 17.3798 17.3798 k = 0.5000 0.5000 0.2619 ( 4556 PWs) bands (ev): -60.3019 -60.3019 -32.3560 -32.3560 -31.3799 -31.3799 -31.3738 -31.3738 -21.5714 -21.5714 -6.0876 -6.0876 -6.0629 -6.0629 -6.0170 -6.0170 -4.3734 -4.3734 -3.3934 -3.3934 -3.3269 -3.3269 5.3865 5.3865 5.9799 5.9799 6.2864 6.2864 6.7847 6.7847 6.9790 6.9790 7.0303 7.0303 10.0614 10.0614 10.0695 10.0695 10.6750 10.6750 13.1779 13.1779 13.2001 13.2001 13.3437 13.3437 15.9996 15.9996 17.3798 17.3798 k = 0.5000 0.5000 0.2738 ( 4556 PWs) bands (ev): -60.3019 -60.3019 -32.3562 -32.3562 -31.3798 -31.3798 -31.3742 -31.3742 -21.5704 -21.5704 -6.0682 -6.0682 -6.0428 -6.0428 -6.0014 -6.0014 -4.3975 -4.3975 -3.4149 -3.4149 -3.3521 -3.3521 5.3787 5.3787 5.9806 5.9806 6.3229 6.3229 6.7016 6.7016 6.9537 6.9537 7.0071 7.0071 10.1164 10.1164 10.1255 10.1255 10.6784 10.6784 13.1973 13.1973 13.2192 13.2192 13.3531 13.3531 16.1116 16.1116 17.3799 17.3799 k = 0.5000 0.5000 0.2857 ( 4560 PWs) bands (ev): -60.3022 -60.3022 -32.3564 -32.3564 -31.3798 -31.3798 -31.3747 -31.3747 -21.5695 -21.5695 -6.0484 -6.0484 -6.0228 -6.0228 -5.9856 -5.9856 -4.4218 -4.4218 -3.4362 -3.4362 -3.3771 -3.3771 5.3698 5.3698 5.9812 5.9812 6.3586 6.3586 6.6221 6.6221 6.9294 6.9294 6.9847 6.9847 10.1702 10.1702 10.1801 10.1801 10.6819 10.6819 13.2156 13.2156 13.2372 13.2372 13.3616 13.3616 16.2212 16.2212 17.3800 17.3800 k = 0.5000 0.5000 0.2976 ( 4560 PWs) bands (ev): -60.3022 -60.3022 -32.3565 -32.3565 -31.3798 -31.3798 -31.3751 -31.3751 -21.5686 -21.5686 -6.0284 -6.0284 -6.0031 -6.0031 -5.9697 -5.9697 -4.4462 -4.4462 -3.4571 -3.4571 -3.4021 -3.4021 5.3597 5.3597 5.9818 5.9818 6.3938 6.3938 6.5468 6.5468 6.9065 6.9065 6.9635 6.9635 10.2225 10.2225 10.2331 10.2331 10.6853 10.6853 13.2354 13.2354 13.2566 13.2566 13.3710 13.3710 16.3282 16.3282 17.3801 17.3801 k = 0.5000 0.5000 0.3095 ( 4560 PWs) bands (ev): -60.3021 -60.3021 -32.3567 -32.3567 -31.3798 -31.3798 -31.3755 -31.3755 -21.5677 -21.5677 -6.0083 -6.0083 -5.9838 -5.9838 -5.9539 -5.9539 -4.4705 -4.4705 -3.4775 -3.4775 -3.4266 -3.4266 5.3483 5.3483 5.9824 5.9824 6.4279 6.4279 6.4759 6.4759 6.8849 6.8849 6.9433 6.9433 10.2732 10.2732 10.2844 10.2844 10.6887 10.6887 13.2551 13.2551 13.2759 13.2759 13.3804 13.3804 16.4320 16.4320 17.3802 17.3802 k = 0.5000 0.5000 0.3214 ( 4552 PWs) bands (ev): -60.3014 -60.3014 -32.3567 -32.3567 -31.3797 -31.3797 -31.3757 -31.3757 -21.5668 -21.5668 -5.9881 -5.9881 -5.9651 -5.9651 -5.9380 -5.9380 -4.4946 -4.4946 -3.4973 -3.4973 -3.4507 -3.4507 5.3359 5.3359 5.9830 5.9830 6.4103 6.4103 6.4609 6.4609 6.8651 6.8651 6.9246 6.9246 10.3220 10.3220 10.3337 10.3337 10.6919 10.6919 13.2773 13.2773 13.2976 13.2976 13.3901 13.3901 16.5339 16.5339 17.3807 17.3807 k = 0.5000 0.5000 0.3333 ( 4544 PWs) bands (ev): -60.3007 -60.3007 -32.3568 -32.3568 -31.3796 -31.3796 -31.3758 -31.3758 -21.5660 -21.5660 -5.9680 -5.9680 -5.9471 -5.9471 -5.9224 -5.9224 -4.5184 -4.5184 -3.5164 -3.5164 -3.4742 -3.4742 5.3223 5.3223 5.9836 5.9836 6.3501 6.3501 6.4924 6.4924 6.8466 6.8466 6.9069 6.9069 10.3686 10.3686 10.3808 10.3808 10.6951 10.6951 13.2982 13.2982 13.3179 13.3179 13.3995 13.3995 16.6346 16.6346 17.3809 17.3809 k = 0.5000 0.5000 0.3452 ( 4560 PWs) bands (ev): -60.3020 -60.3020 -32.3571 -32.3571 -31.3798 -31.3798 -31.3765 -31.3765 -21.5652 -21.5652 -5.9482 -5.9482 -5.9300 -5.9300 -5.9069 -5.9069 -4.5418 -4.5418 -3.5347 -3.5347 -3.4970 -3.4970 5.3069 5.3069 5.9841 5.9841 6.2935 6.2935 6.5215 6.5215 6.8290 6.8290 6.8897 6.8897 10.4130 10.4130 10.4255 10.4255 10.6981 10.6981 13.3141 13.3141 13.3330 13.3330 13.4036 13.4036 16.7233 16.7233 17.3803 17.3803 k = 0.5000 0.5000 0.3571 ( 4572 PWs) bands (ev): -60.3030 -60.3030 -32.3574 -32.3574 -31.3798 -31.3798 -31.3771 -31.3771 -21.5645 -21.5645 -5.9287 -5.9287 -5.9138 -5.9138 -5.8919 -5.8919 -4.5645 -4.5645 -3.5521 -3.5521 -3.5188 -3.5188 5.2903 5.2903 5.9846 5.9846 6.2416 6.2416 6.5493 6.5493 6.8132 6.8132 6.8738 6.8738 10.4548 10.4548 10.4677 10.4677 10.7010 10.7010 13.3307 13.3307 13.3489 13.3489 13.4122 13.4122 16.8026 16.8026 17.3804 17.3804 k = 0.5000 0.5000 0.3690 ( 4564 PWs) bands (ev): -60.3023 -60.3023 -32.3574 -32.3574 -31.3796 -31.3796 -31.3773 -31.3773 -21.5638 -21.5638 -5.9098 -5.9098 -5.8985 -5.8985 -5.8773 -5.8773 -4.5864 -4.5864 -3.5685 -3.5685 -3.5395 -3.5395 5.2734 5.2734 5.9851 5.9851 6.1964 6.1964 6.5754 6.5754 6.7998 6.7998 6.8595 6.8595 10.4941 10.4941 10.5071 10.5071 10.7038 10.7038 13.3501 13.3501 13.3675 13.3675 13.4241 13.4241 16.8861 16.8861 17.3809 17.3809 k = 0.5000 0.5000 0.3810 ( 4564 PWs) bands (ev): -60.3023 -60.3023 -32.3575 -32.3575 -31.3796 -31.3796 -31.3776 -31.3776 -21.5631 -21.5631 -5.8915 -5.8915 -5.8844 -5.8844 -5.8633 -5.8633 -4.6074 -4.6074 -3.5838 -3.5838 -3.5591 -3.5591 5.2561 5.2561 5.9856 5.9856 6.1563 6.1563 6.5983 6.5983 6.7882 6.7882 6.8463 6.8463 10.5304 10.5304 10.5437 10.5437 10.7064 10.7064 13.3669 13.3669 13.3830 13.3830 13.4326 13.4326 16.9641 16.9641 17.3810 17.3810 k = 0.5000 0.5000 0.3929 ( 4580 PWs) bands (ev): -60.3036 -60.3036 -32.3578 -32.3578 -31.3798 -31.3798 -31.3781 -31.3781 -21.5625 -21.5625 -5.8741 -5.8741 -5.8714 -5.8714 -5.8502 -5.8502 -4.6273 -4.6273 -3.5979 -3.5979 -3.5773 -3.5773 5.2385 5.2385 5.9846 5.9846 6.1207 6.1207 6.6178 6.6178 6.7786 6.7786 6.8339 6.8339 10.5638 10.5638 10.5772 10.5772 10.7088 10.7088 13.3804 13.3804 13.3945 13.3945 13.4377 13.4377 17.0352 17.0352 17.3750 17.3750 k = 0.5000 0.5000 0.4048 ( 4572 PWs) bands (ev): -60.3029 -60.3029 -32.3578 -32.3578 -31.3797 -31.3797 -31.3782 -31.3782 -21.5619 -21.5619 -5.8595 -5.8595 -5.8578 -5.8578 -5.8380 -5.8380 -4.6458 -4.6458 -3.6107 -3.6107 -3.5940 -3.5940 5.2214 5.2214 5.9851 5.9851 6.0904 6.0904 6.6345 6.6345 6.7723 6.7723 6.8235 6.8235 10.5940 10.5940 10.6076 10.6076 10.7110 10.7110 13.3973 13.3973 13.4091 13.4091 13.4485 13.4485 17.1023 17.1023 17.3760 17.3760 k = 0.5000 0.5000 0.4167 ( 4584 PWs) bands (ev): -60.3039 -60.3039 -32.3580 -32.3580 -31.3799 -31.3799 -31.3786 -31.3786 -21.5614 -21.5614 -5.8489 -5.8489 -5.8428 -5.8428 -5.8269 -5.8269 -4.6629 -4.6629 -3.6222 -3.6222 -3.6091 -3.6091 5.2048 5.2048 5.9849 5.9849 6.0645 6.0645 6.6467 6.6467 6.7683 6.7683 6.8137 6.8137 10.6209 10.6209 10.6347 10.6347 10.7131 10.7131 13.4078 13.4078 13.4164 13.4164 13.4535 13.4535 17.1627 17.1627 17.3741 17.3741 k = 0.5000 0.5000 0.4286 ( 4584 PWs) bands (ev): -60.3039 -60.3039 -32.3581 -32.3581 -31.3799 -31.3799 -31.3787 -31.3787 -21.5610 -21.5610 -5.8396 -5.8396 -5.8292 -5.8292 -5.8170 -5.8170 -4.6782 -4.6782 -3.6323 -3.6323 -3.6224 -3.6224 5.1895 5.1895 5.9844 5.9844 6.0430 6.0430 6.6555 6.6555 6.7676 6.7676 6.8055 6.8055 10.6443 10.6443 10.6584 10.6584 10.7151 10.7151 13.4202 13.4202 13.4257 13.4257 13.4624 13.4624 17.2178 17.2178 17.3716 17.3716 k = 0.5000 0.5000 0.4405 ( 4600 PWs) bands (ev): -60.3052 -60.3052 -32.3584 -32.3584 -31.3801 -31.3801 -31.3792 -31.3792 -21.5606 -21.5606 -5.8315 -5.8315 -5.8173 -5.8173 -5.8085 -5.8085 -4.6915 -4.6915 -3.6409 -3.6409 -3.6340 -3.6340 5.1756 5.1756 5.9843 5.9843 6.0253 6.0253 6.6603 6.6603 6.7687 6.7687 6.7978 6.7978 10.6642 10.6642 10.6786 10.6786 10.7169 10.7169 13.4248 13.4248 13.4287 13.4287 13.4656 13.4656 17.2652 17.2652 17.3698 17.3698 k = 0.5000 0.5000 0.4524 ( 4624 PWs) bands (ev): -60.3073 -60.3073 -32.3587 -32.3587 -31.3803 -31.3803 -31.3798 -31.3798 -21.5603 -21.5603 -5.8249 -5.8249 -5.8072 -5.8072 -5.8014 -5.8014 -4.7028 -4.7028 -3.6480 -3.6480 -3.6435 -3.6435 5.1636 5.1636 5.9842 5.9842 6.0098 6.0098 6.6624 6.6624 6.7712 6.7712 6.7910 6.7910 10.6802 10.6802 10.6952 10.6952 10.7188 10.7188 13.4254 13.4254 13.4302 13.4302 13.4668 13.4668 17.2998 17.2998 17.3686 17.3686 k = 0.5000 0.5000 0.4643 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3801 -31.3801 -21.5601 -21.5601 -5.8196 -5.8196 -5.7992 -5.7992 -5.7958 -5.7958 -4.7117 -4.7117 -3.6536 -3.6536 -3.6510 -3.6510 5.1539 5.1539 5.9843 5.9843 5.9979 5.9979 6.6632 6.6632 6.7746 6.7746 6.7862 6.7862 10.6922 10.6922 10.7082 10.7082 10.7207 10.7207 13.4308 13.4308 13.4341 13.4341 13.4710 13.4710 17.3262 17.3262 17.3685 17.3685 k = 0.5000 0.5000 0.4762 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3802 -31.3802 -21.5599 -21.5599 -5.8159 -5.8159 -5.7933 -5.7933 -5.7918 -5.7918 -4.7182 -4.7182 -3.6576 -3.6576 -3.6565 -3.6565 5.1469 5.1469 5.9844 5.9844 5.9904 5.9904 6.6633 6.6633 6.7777 6.7777 6.7830 6.7830 10.7003 10.7003 10.7176 10.7176 10.7227 10.7227 13.4356 13.4356 13.4371 13.4371 13.4747 13.4747 17.3495 17.3495 17.3685 17.3685 k = 0.5000 0.5000 0.4881 ( 4632 PWs) bands (ev): -60.3080 -60.3080 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5598 -21.5598 -5.8136 -5.8136 -5.7898 -5.7898 -5.7894 -5.7894 -4.7222 -4.7222 -3.6600 -3.6600 -3.6597 -3.6597 5.1426 5.1426 5.9845 5.9845 5.9860 5.9860 6.6632 6.6632 6.7797 6.7797 6.7811 6.7811 10.7046 10.7046 10.7232 10.7232 10.7244 10.7244 13.4386 13.4386 13.4389 13.4389 13.4770 13.4770 17.3637 17.3637 17.3685 17.3685 k = 0.5000 0.5000 0.5000 ( 4632 PWs) bands (ev): -60.3081 -60.3081 -32.3589 -32.3589 -31.3803 -31.3803 -31.3803 -31.3803 -21.5597 -21.5597 -5.8128 -5.8128 -5.7886 -5.7886 -5.7886 -5.7886 -4.7235 -4.7235 -3.6608 -3.6608 -3.6608 -3.6608 5.1412 5.1412 5.9845 5.9845 5.9845 5.9845 6.6631 6.6631 6.7805 6.7805 6.7805 6.7805 10.7059 10.7059 10.7251 10.7251 10.7251 10.7251 13.4395 13.4395 13.4395 13.4395 13.4777 13.4777 17.3685 17.3685 17.3685 17.3685 Writing output data file SrCrO3.save init_run : 0.19s CPU 0.51s WALL ( 1 calls) electrons : 125.60s CPU 128.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 125.58s CPU 128.29s 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 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 322 calls) cegterg : 112.90s CPU 114.33s WALL ( 322 calls) Called by sum_band: Called by *egterg: h_psi : 75.78s CPU 77.04s WALL ( 4920 calls) s_psi : 2.43s CPU 2.33s WALL ( 4920 calls) g_psi : 0.26s CPU 0.21s WALL ( 4276 calls) cdiaghg : 31.78s CPU 32.25s WALL ( 4598 calls) cegterg:over : 4.76s CPU 4.86s WALL ( 4276 calls) cegterg:upda : 3.78s CPU 3.72s WALL ( 4276 calls) cegterg:last : 2.31s CPU 2.36s WALL ( 966 calls) cdiaghg:chol : 1.72s CPU 1.83s WALL ( 4598 calls) cdiaghg:inve : 1.26s CPU 1.21s WALL ( 4598 calls) cdiaghg:para : 1.81s CPU 1.90s WALL ( 9196 calls) Called by h_psi: h_psi:vloc : 68.48s CPU 69.66s WALL ( 4920 calls) h_psi:vnl : 7.07s CPU 7.18s WALL ( 4920 calls) add_vuspsi : 3.52s CPU 3.52s WALL ( 4920 calls) General routines calbec : 3.52s CPU 3.64s WALL ( 4920 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.92s CPU 66.10s WALL ( 654420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.25s WALL ( 644 calls) Parallel routines fft_scatter : 19.99s CPU 20.24s WALL ( 654443 calls) PWSCF : 2m21.41s CPU 2m41.99s WALL This run was terminated on: 17:37: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=