Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:28:47 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: ./HfPbO3.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 26 7 1305 592 97 Max 44 27 8 1310 605 102 Sum 1581 941 285 47089 21559 3575 bravais-lattice index = 14 lattice parameter (alat) = 7.8182 a.u. unit-cell volume = 477.8769 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.818174 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 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= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034014 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034014 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034014 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034014 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034014 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034014 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034014 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034014 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034014 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034014 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034014 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034014 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034014 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034014 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034014 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034014 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034014 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034014 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034014 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034014 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034014 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034014 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034014 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034014 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034014 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034014 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034014 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034014 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034014 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034014 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034014 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034014 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034014 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034014 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034014 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034014 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034014 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034014 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034014 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034014 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034014 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034014 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034014 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034014 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034014 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034014 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034014 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034014 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034014 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034014 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034014 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034014 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034014 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034014 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034014 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034014 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034014 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034014 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034014 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034014 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034014 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034014 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034014 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034014 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034014 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034014 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034014 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034014 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034014 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034014 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034014 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0034014 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0034014 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0034014 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0034014 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0034014 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034014 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0034014 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0034014 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0034014 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0034014 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0034014 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0034014 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0034014 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0034014 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0034014 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0034014 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0034014 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034014 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0034014 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0034014 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0034014 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034014 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0034014 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034014 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0034014 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0034014 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034014 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0034014 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0034014 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034014 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0034014 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0034014 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0034014 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034014 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0034014 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034014 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0034014 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0034014 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034014 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0034014 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0034014 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034014 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0034014 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0034014 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034014 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0034014 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0034014 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034014 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0034014 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0034014 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034014 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0034014 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 135) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0034014 k( 136) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034014 k( 137) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034014 k( 138) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034014 k( 139) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0034014 k( 140) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0034014 k( 141) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0034014 k( 142) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034014 k( 143) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034014 k( 144) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034014 k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034014 k( 146) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034014 k( 147) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0034014 k( 148) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034014 k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034014 k( 150) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034014 k( 151) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0034014 k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034014 k( 153) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0034014 k( 154) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034014 k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034014 k( 156) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034014 k( 157) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0034014 k( 158) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034014 k( 159) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0034014 k( 160) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034014 k( 161) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034014 k( 162) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034014 k( 163) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0034014 k( 164) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034014 k( 165) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0034014 k( 166) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034014 k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 168) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034014 k( 169) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0034014 k( 170) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034014 k( 171) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0034014 k( 172) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034014 k( 173) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0034014 k( 174) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034014 k( 175) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0034014 k( 176) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034014 k( 177) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0034014 k( 178) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014 k( 179) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034014 k( 180) = ( 0.3484849 0.3484848 0.3484848), wk = 0.0034014 k( 181) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0034014 k( 182) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034014 k( 183) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0034014 k( 184) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034014 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034014 k( 186) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034014 k( 187) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0034014 k( 188) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034014 k( 189) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034014 k( 190) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034014 k( 191) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034014 k( 192) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034014 k( 193) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0034014 k( 194) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0034014 k( 195) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0034014 k( 196) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034014 k( 197) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034014 k( 198) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034014 k( 199) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0034014 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 202) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034014 k( 203) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034014 k( 204) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034014 k( 205) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034014 k( 206) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034014 k( 207) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034014 k( 208) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034014 k( 209) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034014 k( 210) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034014 k( 211) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034014 k( 212) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034014 k( 213) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034014 k( 214) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034014 k( 215) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034014 k( 216) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034014 k( 217) = ( 0.3518519 0.5000000 0.3518518), wk = 0.0034014 k( 218) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034014 k( 219) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034014 k( 220) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034014 k( 221) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034014 k( 222) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034014 k( 223) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034014 k( 224) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034014 k( 225) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034014 k( 226) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034014 k( 227) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034014 k( 228) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034014 k( 229) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034014 k( 230) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034014 k( 231) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034014 k( 232) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034014 k( 233) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034014 k( 234) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034014 k( 235) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034014 k( 236) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034014 k( 237) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034014 k( 238) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034014 k( 239) = ( 0.1481482 0.5000000 0.1481481), wk = 0.0034014 k( 240) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034014 k( 241) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034014 k( 242) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034014 k( 243) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034014 k( 244) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034014 k( 245) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034014 k( 246) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034014 k( 247) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034014 k( 248) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034014 k( 249) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034014 k( 250) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034014 k( 251) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034014 k( 252) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034014 k( 253) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034014 k( 254) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034014 k( 255) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034014 k( 276) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034014 k( 277) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034014 k( 278) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034014 k( 279) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034014 k( 280) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034014 k( 281) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034014 k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034014 k( 283) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034014 k( 284) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034014 k( 285) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034014 k( 286) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034014 k( 287) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034014 k( 288) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034014 k( 289) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034014 k( 290) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034014 k( 291) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034014 k( 292) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034014 k( 293) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034014 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034014 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034014 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034014 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034014 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034014 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034014 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034014 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034014 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034014 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034014 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034014 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034014 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034014 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034014 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034014 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034014 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034014 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034014 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034014 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034014 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034014 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034014 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034014 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034014 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034014 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034014 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034014 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034014 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034014 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034014 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034014 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034014 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034014 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034014 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034014 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034014 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034014 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034014 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034014 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034014 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034014 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034014 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034014 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034014 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034014 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034014 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034014 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034014 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034014 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034014 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034014 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034014 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034014 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034014 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034014 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034014 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034014 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034014 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034014 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034014 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034014 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034014 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034014 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034014 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034014 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034014 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034014 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034014 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034014 k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0034014 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034014 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034014 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034014 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034014 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0034014 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0034014 k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0034014 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0034014 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0034014 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0034014 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0034014 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0034014 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0034014 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0034014 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0034014 k( 91) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0034014 k( 92) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0034014 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0034014 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0034014 k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0034014 k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0034014 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034014 k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0034014 k( 99) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0034014 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0034014 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034014 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0034014 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034014 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0034014 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0034014 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034014 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0034014 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0034014 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034014 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0034014 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0034014 k( 112) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0034014 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034014 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0034014 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034014 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0034014 k( 117) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0034014 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034014 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0034014 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0034014 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034014 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0034014 k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0034014 k( 124) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034014 k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0034014 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0034014 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0034014 k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0034014 k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034014 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0034014 k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0034014 k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 135) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0034014 k( 136) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034014 k( 137) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034014 k( 138) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034014 k( 139) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0034014 k( 140) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0034014 k( 141) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0034014 k( 142) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034014 k( 143) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034014 k( 144) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034014 k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034014 k( 146) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034014 k( 147) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0034014 k( 148) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034014 k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034014 k( 150) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034014 k( 151) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0034014 k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034014 k( 153) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0034014 k( 154) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034014 k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034014 k( 156) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034014 k( 157) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0034014 k( 158) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034014 k( 159) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0034014 k( 160) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034014 k( 161) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034014 k( 162) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034014 k( 163) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0034014 k( 164) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034014 k( 165) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0034014 k( 166) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034014 k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 168) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034014 k( 169) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0034014 k( 170) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034014 k( 171) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0034014 k( 172) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034014 k( 173) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0034014 k( 174) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034014 k( 175) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0034014 k( 176) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034014 k( 177) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0034014 k( 178) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014 k( 179) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034014 k( 180) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0034014 k( 181) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0034014 k( 182) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034014 k( 183) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0034014 k( 184) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034014 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034014 k( 186) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034014 k( 187) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0034014 k( 188) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034014 k( 189) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034014 k( 190) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034014 k( 191) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034014 k( 192) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034014 k( 193) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0034014 k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0034014 k( 195) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0034014 k( 196) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034014 k( 197) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034014 k( 198) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034014 k( 199) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0034014 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 202) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034014 k( 203) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034014 k( 204) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034014 k( 205) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034014 k( 206) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034014 k( 207) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034014 k( 208) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034014 k( 209) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034014 k( 210) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034014 k( 211) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034014 k( 212) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034014 k( 213) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034014 k( 214) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034014 k( 215) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034014 k( 216) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034014 k( 217) = ( 0.3518519 0.5000000 0.3518519), wk = 0.0034014 k( 218) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034014 k( 219) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034014 k( 220) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034014 k( 221) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034014 k( 222) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034014 k( 223) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034014 k( 224) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034014 k( 225) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034014 k( 226) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034014 k( 227) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034014 k( 228) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034014 k( 229) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034014 k( 230) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034014 k( 231) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034014 k( 232) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034014 k( 233) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034014 k( 234) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034014 k( 235) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034014 k( 236) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034014 k( 237) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034014 k( 238) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034014 k( 239) = ( 0.1481482 0.5000000 0.1481482), wk = 0.0034014 k( 240) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034014 k( 241) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034014 k( 242) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034014 k( 243) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034014 k( 244) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034014 k( 245) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034014 k( 246) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034014 k( 247) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034014 k( 248) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034014 k( 249) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034014 k( 250) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034014 k( 251) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034014 k( 252) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034014 k( 253) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034014 k( 254) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034014 k( 255) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034014 k( 276) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034014 k( 277) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034014 k( 278) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034014 k( 279) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034014 k( 280) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034014 k( 281) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034014 k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034014 k( 283) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034014 k( 284) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034014 k( 285) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034014 k( 286) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034014 k( 287) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034014 k( 288) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034014 k( 289) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034014 k( 290) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034014 k( 291) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034014 k( 292) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034014 k( 293) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034014 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 Dense grid: 47089 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 21559 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 168, 52) NL pseudopotentials 0.14 Mb ( 84, 110) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1310) G-vector shells 0.00 Mb ( 305) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 168, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.17 Mb ( 110, 2, 52) The potential is recalculated from file : ./HfPbO3.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.5 secs Computing kpt #: 17 total cpu time spent up to now is 6.8 secs Computing kpt #: 18 total cpu time spent up to now is 7.1 secs Computing kpt #: 19 total cpu time spent up to now is 7.4 secs Computing kpt #: 20 total cpu time spent up to now is 7.7 secs Computing kpt #: 21 total cpu time spent up to now is 8.0 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.6 secs Computing kpt #: 24 total cpu time spent up to now is 8.9 secs Computing kpt #: 25 total cpu time spent up to now is 9.2 secs Computing kpt #: 26 total cpu time spent up to now is 9.5 secs Computing kpt #: 27 total cpu time spent up to now is 9.8 secs Computing kpt #: 28 total cpu time spent up to now is 10.1 secs Computing kpt #: 29 total cpu time spent up to now is 10.4 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.1 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.9 secs Computing kpt #: 39 total cpu time spent up to now is 13.2 secs Computing kpt #: 40 total cpu time spent up to now is 13.5 secs Computing kpt #: 41 total cpu time spent up to now is 13.8 secs Computing kpt #: 42 total cpu time spent up to now is 14.0 secs Computing kpt #: 43 total cpu time spent up to now is 14.3 secs Computing kpt #: 44 total cpu time spent up to now is 14.6 secs Computing kpt #: 45 total cpu time spent up to now is 14.9 secs Computing kpt #: 46 total cpu time spent up to now is 15.1 secs Computing kpt #: 47 total cpu time spent up to now is 15.4 secs Computing kpt #: 48 total cpu time spent up to now is 15.7 secs Computing kpt #: 49 total cpu time spent up to now is 16.0 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.6 secs Computing kpt #: 52 total cpu time spent up to now is 16.9 secs Computing kpt #: 53 total cpu time spent up to now is 17.2 secs Computing kpt #: 54 total cpu time spent up to now is 17.5 secs Computing kpt #: 55 total cpu time spent up to now is 17.8 secs Computing kpt #: 56 total cpu time spent up to now is 18.0 secs Computing kpt #: 57 total cpu time spent up to now is 18.3 secs Computing kpt #: 58 total cpu time spent up to now is 18.6 secs Computing kpt #: 59 total cpu time spent up to now is 18.9 secs Computing kpt #: 60 total cpu time spent up to now is 19.2 secs Computing kpt #: 61 total cpu time spent up to now is 19.5 secs Computing kpt #: 62 total cpu time spent up to now is 19.8 secs Computing kpt #: 63 total cpu time spent up to now is 20.1 secs Computing kpt #: 64 total cpu time spent up to now is 20.4 secs Computing kpt #: 65 total cpu time spent up to now is 20.7 secs Computing kpt #: 66 total cpu time spent up to now is 21.0 secs Computing kpt #: 67 total cpu time spent up to now is 21.3 secs Computing kpt #: 68 total cpu time spent up to now is 21.7 secs Computing kpt #: 69 total cpu time spent up to now is 22.0 secs Computing kpt #: 70 total cpu time spent up to now is 22.3 secs Computing kpt #: 71 total cpu time spent up to now is 22.6 secs Computing kpt #: 72 total cpu time spent up to now is 23.0 secs Computing kpt #: 73 total cpu time spent up to now is 23.3 secs Computing kpt #: 74 total cpu time spent up to now is 23.6 secs Computing kpt #: 75 total cpu time spent up to now is 24.0 secs Computing kpt #: 76 total cpu time spent up to now is 24.3 secs Computing kpt #: 77 total cpu time spent up to now is 24.7 secs Computing kpt #: 78 total cpu time spent up to now is 25.1 secs Computing kpt #: 79 total cpu time spent up to now is 25.4 secs Computing kpt #: 80 total cpu time spent up to now is 25.8 secs Computing kpt #: 81 total cpu time spent up to now is 26.1 secs Computing kpt #: 82 total cpu time spent up to now is 26.5 secs Computing kpt #: 83 total cpu time spent up to now is 26.9 secs Computing kpt #: 84 total cpu time spent up to now is 27.2 secs Computing kpt #: 85 total cpu time spent up to now is 27.6 secs Computing kpt #: 86 total cpu time spent up to now is 27.9 secs Computing kpt #: 87 total cpu time spent up to now is 28.3 secs Computing kpt #: 88 total cpu time spent up to now is 28.6 secs Computing kpt #: 89 total cpu time spent up to now is 29.0 secs Computing kpt #: 90 total cpu time spent up to now is 29.3 secs Computing kpt #: 91 total cpu time spent up to now is 29.7 secs Computing kpt #: 92 total cpu time spent up to now is 30.0 secs Computing kpt #: 93 total cpu time spent up to now is 30.3 secs Computing kpt #: 94 total cpu time spent up to now is 30.7 secs Computing kpt #: 95 total cpu time spent up to now is 31.0 secs Computing kpt #: 96 total cpu time spent up to now is 31.4 secs Computing kpt #: 97 total cpu time spent up to now is 31.7 secs Computing kpt #: 98 total cpu time spent up to now is 32.0 secs Computing kpt #: 99 total cpu time spent up to now is 32.3 secs Computing kpt #: 100 total cpu time spent up to now is 32.7 secs Computing kpt #: 101 total cpu time spent up to now is 33.0 secs Computing kpt #: 102 total cpu time spent up to now is 33.3 secs Computing kpt #: 103 total cpu time spent up to now is 33.6 secs Computing kpt #: 104 total cpu time spent up to now is 33.9 secs Computing kpt #: 105 total cpu time spent up to now is 34.2 secs Computing kpt #: 106 total cpu time spent up to now is 34.5 secs Computing kpt #: 107 total cpu time spent up to now is 34.8 secs Computing kpt #: 108 total cpu time spent up to now is 35.1 secs Computing kpt #: 109 total cpu time spent up to now is 35.5 secs Computing kpt #: 110 total cpu time spent up to now is 35.8 secs Computing kpt #: 111 total cpu time spent up to now is 36.1 secs Computing kpt #: 112 total cpu time spent up to now is 36.4 secs Computing kpt #: 113 total cpu time spent up to now is 36.8 secs Computing kpt #: 114 total cpu time spent up to now is 37.1 secs Computing kpt #: 115 total cpu time spent up to now is 37.4 secs Computing kpt #: 116 total cpu time spent up to now is 37.7 secs Computing kpt #: 117 total cpu time spent up to now is 38.0 secs Computing kpt #: 118 total cpu time spent up to now is 38.3 secs Computing kpt #: 119 total cpu time spent up to now is 38.5 secs Computing kpt #: 120 total cpu time spent up to now is 38.8 secs Computing kpt #: 121 total cpu time spent up to now is 39.1 secs Computing kpt #: 122 total cpu time spent up to now is 39.3 secs Computing kpt #: 123 total cpu time spent up to now is 39.6 secs Computing kpt #: 124 total cpu time spent up to now is 39.9 secs Computing kpt #: 125 total cpu time spent up to now is 40.2 secs Computing kpt #: 126 total cpu time spent up to now is 40.4 secs Computing kpt #: 127 total cpu time spent up to now is 40.7 secs Computing kpt #: 128 total cpu time spent up to now is 40.9 secs Computing kpt #: 129 total cpu time spent up to now is 41.2 secs Computing kpt #: 130 total cpu time spent up to now is 41.4 secs Computing kpt #: 131 total cpu time spent up to now is 41.7 secs Computing kpt #: 132 total cpu time spent up to now is 41.9 secs Computing kpt #: 133 total cpu time spent up to now is 42.2 secs Computing kpt #: 134 total cpu time spent up to now is 42.4 secs Computing kpt #: 135 total cpu time spent up to now is 42.7 secs Computing kpt #: 136 total cpu time spent up to now is 42.9 secs Computing kpt #: 137 total cpu time spent up to now is 43.2 secs Computing kpt #: 138 total cpu time spent up to now is 43.4 secs Computing kpt #: 139 total cpu time spent up to now is 43.7 secs Computing kpt #: 140 total cpu time spent up to now is 43.9 secs Computing kpt #: 141 total cpu time spent up to now is 44.2 secs Computing kpt #: 142 total cpu time spent up to now is 44.4 secs Computing kpt #: 143 total cpu time spent up to now is 44.7 secs Computing kpt #: 144 total cpu time spent up to now is 45.0 secs Computing kpt #: 145 total cpu time spent up to now is 45.2 secs Computing kpt #: 146 total cpu time spent up to now is 45.5 secs Computing kpt #: 147 total cpu time spent up to now is 45.8 secs Computing kpt #: 148 total cpu time spent up to now is 46.1 secs Computing kpt #: 149 total cpu time spent up to now is 46.3 secs Computing kpt #: 150 total cpu time spent up to now is 46.6 secs Computing kpt #: 151 total cpu time spent up to now is 46.9 secs Computing kpt #: 152 total cpu time spent up to now is 47.2 secs Computing kpt #: 153 total cpu time spent up to now is 47.5 secs Computing kpt #: 154 total cpu time spent up to now is 47.8 secs Computing kpt #: 155 total cpu time spent up to now is 48.1 secs Computing kpt #: 156 total cpu time spent up to now is 48.4 secs Computing kpt #: 157 total cpu time spent up to now is 48.7 secs Computing kpt #: 158 total cpu time spent up to now is 49.0 secs Computing kpt #: 159 total cpu time spent up to now is 49.3 secs Computing kpt #: 160 total cpu time spent up to now is 49.6 secs Computing kpt #: 161 total cpu time spent up to now is 50.0 secs Computing kpt #: 162 total cpu time spent up to now is 50.3 secs Computing kpt #: 163 total cpu time spent up to now is 50.7 secs Computing kpt #: 164 total cpu time spent up to now is 51.0 secs Computing kpt #: 165 total cpu time spent up to now is 51.4 secs Computing kpt #: 166 total cpu time spent up to now is 51.7 secs Computing kpt #: 167 total cpu time spent up to now is 52.0 secs Computing kpt #: 168 total cpu time spent up to now is 52.4 secs Computing kpt #: 169 total cpu time spent up to now is 52.7 secs Computing kpt #: 170 total cpu time spent up to now is 53.0 secs Computing kpt #: 171 total cpu time spent up to now is 53.4 secs Computing kpt #: 172 total cpu time spent up to now is 53.7 secs Computing kpt #: 173 total cpu time spent up to now is 54.0 secs Computing kpt #: 174 total cpu time spent up to now is 54.3 secs Computing kpt #: 175 total cpu time spent up to now is 54.7 secs Computing kpt #: 176 total cpu time spent up to now is 55.0 secs Computing kpt #: 177 total cpu time spent up to now is 55.4 secs Computing kpt #: 178 total cpu time spent up to now is 55.7 secs Computing kpt #: 179 total cpu time spent up to now is 56.0 secs Computing kpt #: 180 total cpu time spent up to now is 56.4 secs Computing kpt #: 181 total cpu time spent up to now is 56.7 secs Computing kpt #: 182 total cpu time spent up to now is 57.1 secs Computing kpt #: 183 total cpu time spent up to now is 57.5 secs Computing kpt #: 184 total cpu time spent up to now is 57.8 secs Computing kpt #: 185 total cpu time spent up to now is 58.2 secs Computing kpt #: 186 total cpu time spent up to now is 58.6 secs Computing kpt #: 187 total cpu time spent up to now is 59.0 secs Computing kpt #: 188 total cpu time spent up to now is 59.4 secs Computing kpt #: 189 total cpu time spent up to now is 59.8 secs Computing kpt #: 190 total cpu time spent up to now is 60.2 secs Computing kpt #: 191 total cpu time spent up to now is 60.6 secs Computing kpt #: 192 total cpu time spent up to now is 61.0 secs Computing kpt #: 193 total cpu time spent up to now is 61.4 secs Computing kpt #: 194 total cpu time spent up to now is 61.8 secs Computing kpt #: 195 total cpu time spent up to now is 62.1 secs Computing kpt #: 196 total cpu time spent up to now is 62.6 secs Computing kpt #: 197 total cpu time spent up to now is 63.0 secs Computing kpt #: 198 total cpu time spent up to now is 63.4 secs Computing kpt #: 199 total cpu time spent up to now is 63.8 secs Computing kpt #: 200 total cpu time spent up to now is 64.1 secs Computing kpt #: 201 total cpu time spent up to now is 64.5 secs Computing kpt #: 202 total cpu time spent up to now is 64.9 secs Computing kpt #: 203 total cpu time spent up to now is 65.3 secs Computing kpt #: 204 total cpu time spent up to now is 65.7 secs Computing kpt #: 205 total cpu time spent up to now is 66.1 secs Computing kpt #: 206 total cpu time spent up to now is 66.4 secs Computing kpt #: 207 total cpu time spent up to now is 66.8 secs Computing kpt #: 208 total cpu time spent up to now is 67.2 secs Computing kpt #: 209 total cpu time spent up to now is 67.6 secs Computing kpt #: 210 total cpu time spent up to now is 68.0 secs Computing kpt #: 211 total cpu time spent up to now is 68.3 secs Computing kpt #: 212 total cpu time spent up to now is 68.7 secs Computing kpt #: 213 total cpu time spent up to now is 69.3 secs Computing kpt #: 214 total cpu time spent up to now is 69.7 secs Computing kpt #: 215 total cpu time spent up to now is 70.0 secs Computing kpt #: 216 total cpu time spent up to now is 70.4 secs Computing kpt #: 217 total cpu time spent up to now is 70.7 secs Computing kpt #: 218 total cpu time spent up to now is 71.0 secs Computing kpt #: 219 total cpu time spent up to now is 71.3 secs Computing kpt #: 220 total cpu time spent up to now is 71.6 secs Computing kpt #: 221 total cpu time spent up to now is 72.0 secs Computing kpt #: 222 total cpu time spent up to now is 72.3 secs Computing kpt #: 223 total cpu time spent up to now is 72.6 secs Computing kpt #: 224 total cpu time spent up to now is 72.9 secs Computing kpt #: 225 total cpu time spent up to now is 73.2 secs Computing kpt #: 226 total cpu time spent up to now is 73.5 secs Computing kpt #: 227 total cpu time spent up to now is 73.8 secs Computing kpt #: 228 total cpu time spent up to now is 74.2 secs Computing kpt #: 229 total cpu time spent up to now is 74.5 secs Computing kpt #: 230 total cpu time spent up to now is 74.8 secs Computing kpt #: 231 total cpu time spent up to now is 75.1 secs Computing kpt #: 232 total cpu time spent up to now is 75.4 secs Computing kpt #: 233 total cpu time spent up to now is 75.7 secs Computing kpt #: 234 total cpu time spent up to now is 76.0 secs Computing kpt #: 235 total cpu time spent up to now is 76.3 secs Computing kpt #: 236 total cpu time spent up to now is 76.6 secs Computing kpt #: 237 total cpu time spent up to now is 76.9 secs Computing kpt #: 238 total cpu time spent up to now is 77.2 secs Computing kpt #: 239 total cpu time spent up to now is 77.5 secs Computing kpt #: 240 total cpu time spent up to now is 77.8 secs Computing kpt #: 241 total cpu time spent up to now is 78.1 secs Computing kpt #: 242 total cpu time spent up to now is 78.4 secs Computing kpt #: 243 total cpu time spent up to now is 78.7 secs Computing kpt #: 244 total cpu time spent up to now is 79.0 secs Computing kpt #: 245 total cpu time spent up to now is 79.3 secs Computing kpt #: 246 total cpu time spent up to now is 79.6 secs Computing kpt #: 247 total cpu time spent up to now is 79.9 secs Computing kpt #: 248 total cpu time spent up to now is 80.2 secs Computing kpt #: 249 total cpu time spent up to now is 80.5 secs Computing kpt #: 250 total cpu time spent up to now is 80.8 secs Computing kpt #: 251 total cpu time spent up to now is 81.1 secs Computing kpt #: 252 total cpu time spent up to now is 81.3 secs Computing kpt #: 253 total cpu time spent up to now is 81.6 secs Computing kpt #: 254 total cpu time spent up to now is 81.9 secs Computing kpt #: 255 total cpu time spent up to now is 82.2 secs Computing kpt #: 256 total cpu time spent up to now is 82.5 secs Computing kpt #: 257 total cpu time spent up to now is 82.9 secs Computing kpt #: 258 total cpu time spent up to now is 83.2 secs Computing kpt #: 259 total cpu time spent up to now is 83.6 secs Computing kpt #: 260 total cpu time spent up to now is 83.9 secs Computing kpt #: 261 total cpu time spent up to now is 84.2 secs Computing kpt #: 262 total cpu time spent up to now is 84.6 secs Computing kpt #: 263 total cpu time spent up to now is 84.9 secs Computing kpt #: 264 total cpu time spent up to now is 85.2 secs Computing kpt #: 265 total cpu time spent up to now is 85.6 secs Computing kpt #: 266 total cpu time spent up to now is 85.9 secs Computing kpt #: 267 total cpu time spent up to now is 86.2 secs Computing kpt #: 268 total cpu time spent up to now is 86.6 secs Computing kpt #: 269 total cpu time spent up to now is 86.9 secs Computing kpt #: 270 total cpu time spent up to now is 87.2 secs Computing kpt #: 271 total cpu time spent up to now is 87.6 secs Computing kpt #: 272 total cpu time spent up to now is 87.9 secs Computing kpt #: 273 total cpu time spent up to now is 88.2 secs Computing kpt #: 274 total cpu time spent up to now is 88.6 secs Computing kpt #: 275 total cpu time spent up to now is 88.9 secs Computing kpt #: 276 total cpu time spent up to now is 89.2 secs Computing kpt #: 277 total cpu time spent up to now is 89.6 secs Computing kpt #: 278 total cpu time spent up to now is 89.9 secs Computing kpt #: 279 total cpu time spent up to now is 90.3 secs Computing kpt #: 280 total cpu time spent up to now is 90.6 secs Computing kpt #: 281 total cpu time spent up to now is 90.9 secs Computing kpt #: 282 total cpu time spent up to now is 91.3 secs Computing kpt #: 283 total cpu time spent up to now is 91.7 secs Computing kpt #: 284 total cpu time spent up to now is 92.0 secs Computing kpt #: 285 total cpu time spent up to now is 92.4 secs Computing kpt #: 286 total cpu time spent up to now is 92.8 secs Computing kpt #: 287 total cpu time spent up to now is 93.2 secs Computing kpt #: 288 total cpu time spent up to now is 93.6 secs Computing kpt #: 289 total cpu time spent up to now is 93.9 secs Computing kpt #: 290 total cpu time spent up to now is 94.3 secs Computing kpt #: 291 total cpu time spent up to now is 94.7 secs Computing kpt #: 292 total cpu time spent up to now is 95.1 secs Computing kpt #: 293 total cpu time spent up to now is 95.6 secs Computing kpt #: 294 total cpu time spent up to now is 95.9 secs ethr = 2.27E-08, avg # of iterations = 16.9 total cpu time spent up to now is 95.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -49.8597 -49.8597 -24.2427 -24.2427 -16.6292 -16.6292 -16.6292 -16.6292 -7.3197 -7.3197 -7.3197 -7.3197 -7.2631 -7.2631 -6.4089 -6.4089 -6.4089 -6.4089 -4.6820 -4.6820 -4.6571 -4.6571 -4.6571 -4.6571 3.7664 3.7664 6.6751 6.6751 7.3549 7.3549 7.3549 7.3549 8.8002 8.8002 8.8002 8.8002 8.8159 8.8159 8.9892 8.9892 9.4077 9.4077 9.4077 9.4077 14.0540 14.0540 14.0540 14.0540 14.3825 14.3825 14.7082 14.7082 k = 0.0000 0.0132-0.0000 ( 2721 PWs) bands (ev): -49.8597 -49.8597 -24.2427 -24.2427 -16.6294 -16.6294 -16.6291 -16.6291 -7.3197 -7.3197 -7.3196 -7.3196 -7.2623 -7.2623 -6.4089 -6.4089 -6.4081 -6.4081 -4.6821 -4.6821 -4.6572 -4.6572 -4.6571 -4.6571 3.7645 3.7645 6.6761 6.6761 7.3551 7.3551 7.3561 7.3561 8.7991 8.7991 8.7995 8.7995 8.8150 8.8150 8.9875 8.9875 9.4037 9.4037 9.4073 9.4073 14.0553 14.0553 14.0572 14.0572 14.3848 14.3848 14.7055 14.7055 k = 0.0000 0.0263-0.0000 ( 2701 PWs) bands (ev): -49.8596 -49.8596 -24.2426 -24.2426 -16.6300 -16.6300 -16.6291 -16.6291 -7.3194 -7.3194 -7.3194 -7.3194 -7.2597 -7.2597 -6.4088 -6.4088 -6.4059 -6.4059 -4.6822 -4.6822 -4.6575 -4.6575 -4.6569 -4.6569 3.7588 3.7588 6.6788 6.6788 7.3558 7.3558 7.3599 7.3599 8.7955 8.7955 8.7974 8.7974 8.8124 8.8124 8.9826 8.9826 9.3921 9.3921 9.4060 9.4060 14.0590 14.0590 14.0666 14.0666 14.3920 14.3920 14.6976 14.6976 k = 0.0000 0.0395-0.0000 ( 2697 PWs) bands (ev): -49.8596 -49.8596 -24.2427 -24.2427 -16.6314 -16.6314 -16.6290 -16.6290 -7.3191 -7.3191 -7.3189 -7.3189 -7.2554 -7.2554 -6.4088 -6.4088 -6.4023 -6.4023 -4.6823 -4.6823 -4.6581 -4.6581 -4.6568 -4.6568 3.7494 3.7494 6.6833 6.6833 7.3569 7.3569 7.3660 7.3660 8.7895 8.7895 8.7936 8.7936 8.8084 8.8084 8.9744 8.9744 9.3735 9.3735 9.4039 9.4039 14.0648 14.0648 14.0818 14.0818 14.4042 14.4042 14.6846 14.6846 k = 0.0000 0.0526-0.0000 ( 2681 PWs) bands (ev): -49.8596 -49.8596 -24.2427 -24.2427 -16.6332 -16.6332 -16.6287 -16.6287 -7.3186 -7.3186 -7.3183 -7.3183 -7.2494 -7.2494 -6.4087 -6.4087 -6.3972 -6.3972 -4.6825 -4.6825 -4.6588 -4.6588 -4.6565 -4.6565 3.7365 3.7365 6.6895 6.6895 7.3585 7.3585 7.3741 7.3741 8.7809 8.7809 8.7876 8.7876 8.8036 8.8036 8.9629 8.9629 9.3488 9.3488 9.4012 9.4012 14.0723 14.0723 14.1025 14.1025 14.4216 14.4216 14.6669 14.6669 k = 0.0000 0.0658-0.0000 ( 2681 PWs) bands (ev): -49.8596 -49.8596 -24.2430 -24.2430 -16.6356 -16.6356 -16.6286 -16.6286 -7.3180 -7.3180 -7.3176 -7.3176 -7.2419 -7.2419 -6.4086 -6.4086 -6.3906 -6.3906 -4.6827 -4.6827 -4.6598 -4.6598 -4.6562 -4.6562 3.7202 3.7202 6.6969 6.6969 7.3605 7.3605 7.3839 7.3839 8.7693 8.7693 8.7789 8.7789 8.7983 8.7983 8.9481 8.9481 9.3195 9.3195 9.3979 9.3979 14.0809 14.0809 14.1274 14.1274 14.4445 14.4445 14.6450 14.6450 k = 0.0000 0.0789-0.0000 ( 2693 PWs) bands (ev): -49.8596 -49.8596 -24.2434 -24.2434 -16.6386 -16.6386 -16.6286 -16.6286 -7.3172 -7.3172 -7.3167 -7.3167 -7.2328 -7.2328 -6.4085 -6.4085 -6.3824 -6.3824 -4.6830 -4.6830 -4.6609 -4.6609 -4.6559 -4.6559 3.7008 3.7008 6.7056 6.7056 7.3629 7.3629 7.3948 7.3948 8.7547 8.7547 8.7676 8.7676 8.7928 8.7928 8.9296 8.9296 9.2875 9.2875 9.3942 9.3942 14.0900 14.0900 14.1551 14.1551 14.4732 14.4732 14.6202 14.6202 k = 0.0000 0.0921-0.0000 ( 2689 PWs) bands (ev): -49.8596 -49.8596 -24.2437 -24.2437 -16.6419 -16.6419 -16.6285 -16.6285 -7.3163 -7.3163 -7.3158 -7.3158 -7.2224 -7.2224 -6.4083 -6.4083 -6.3728 -6.3728 -4.6834 -4.6834 -4.6623 -4.6623 -4.6554 -4.6554 3.6785 3.6785 6.7152 6.7152 7.3656 7.3656 7.4060 7.4060 8.7369 8.7369 8.7538 8.7538 8.7869 8.7869 8.9074 8.9074 9.2547 9.2547 9.3902 9.3902 14.0992 14.0992 14.1828 14.1828 14.5077 14.5077 14.5945 14.5945 k = 0.0000 0.1053-0.0000 ( 2689 PWs) bands (ev): -49.8595 -49.8595 -24.2441 -24.2441 -16.6457 -16.6457 -16.6283 -16.6283 -7.3153 -7.3153 -7.3147 -7.3147 -7.2107 -7.2107 -6.4082 -6.4082 -6.3615 -6.3615 -4.6838 -4.6838 -4.6638 -4.6638 -4.6549 -4.6549 3.6536 3.6536 6.7253 6.7253 7.3686 7.3686 7.4166 7.4166 8.7159 8.7159 8.7380 8.7380 8.7806 8.7806 8.8815 8.8815 9.2233 9.2233 9.3861 9.3861 14.1082 14.1082 14.2060 14.2060 14.5479 14.5479 14.5720 14.5720 k = 0.0000 0.1184-0.0000 ( 2681 PWs) bands (ev): -49.8595 -49.8595 -24.2444 -24.2444 -16.6499 -16.6499 -16.6281 -16.6281 -7.3142 -7.3142 -7.3135 -7.3135 -7.1980 -7.1980 -6.4080 -6.4080 -6.3487 -6.3487 -4.6843 -4.6843 -4.6655 -4.6655 -4.6544 -4.6544 3.6264 3.6264 6.7358 6.7358 7.3719 7.3719 7.4254 7.4254 8.6919 8.6919 8.7202 8.7202 8.7737 8.7737 8.8523 8.8523 9.1950 9.1950 9.3820 9.3820 14.1166 14.1166 14.2177 14.2177 14.5591 14.5591 14.5935 14.5935 k = 0.0000 0.1316-0.0000 ( 2681 PWs) bands (ev): -49.8595 -49.8595 -24.2449 -24.2449 -16.6545 -16.6545 -16.6280 -16.6280 -7.3130 -7.3130 -7.3122 -7.3122 -7.1843 -7.1843 -6.4078 -6.4078 -6.3342 -6.3342 -4.6848 -4.6848 -4.6673 -4.6673 -4.6537 -4.6537 3.5972 3.5972 6.7462 6.7462 7.3754 7.3754 7.4309 7.4309 8.6655 8.6655 8.7007 8.7007 8.7664 8.7664 8.8208 8.8208 9.1710 9.1710 9.3780 9.3780 14.1244 14.1244 14.2100 14.2100 14.5626 14.5626 14.6441 14.6441 k = 0.0000 0.1447-0.0000 ( 2685 PWs) bands (ev): -49.8595 -49.8595 -24.2454 -24.2454 -16.6595 -16.6595 -16.6278 -16.6278 -7.3117 -7.3117 -7.3108 -7.3108 -7.1699 -7.1699 -6.4076 -6.4076 -6.3181 -6.3181 -4.6854 -4.6854 -4.6693 -4.6693 -4.6530 -4.6530 3.5663 3.5663 6.7562 6.7562 7.3790 7.3790 7.4315 7.4315 8.6374 8.6374 8.6797 8.6797 8.7585 8.7585 8.7887 8.7887 9.1516 9.1516 9.3742 9.3742 14.1316 14.1316 14.1800 14.1800 14.5850 14.5850 14.6989 14.6989 k = 0.0000 0.1579-0.0000 ( 2677 PWs) bands (ev): -49.8594 -49.8594 -24.2458 -24.2458 -16.6648 -16.6648 -16.6275 -16.6275 -7.3103 -7.3103 -7.3094 -7.3094 -7.1548 -7.1548 -6.4074 -6.4074 -6.3005 -6.3005 -4.6860 -4.6860 -4.6714 -4.6714 -4.6523 -4.6523 3.5341 3.5341 6.7653 6.7653 7.3827 7.3827 7.4258 7.4258 8.6084 8.6084 8.6575 8.6575 8.7503 8.7503 8.7584 8.7584 9.1366 9.1366 9.3708 9.3708 14.1305 14.1305 14.1382 14.1382 14.6225 14.6225 14.7573 14.7573 k = 0.0000 0.1711-0.0000 ( 2685 PWs) bands (ev): -49.8594 -49.8594 -24.2465 -24.2465 -16.6705 -16.6705 -16.6273 -16.6273 -7.3088 -7.3088 -7.3079 -7.3079 -7.1394 -7.1394 -6.4072 -6.4072 -6.2812 -6.2812 -4.6867 -4.6867 -4.6736 -4.6736 -4.6515 -4.6515 3.5009 3.5009 6.7729 6.7729 7.3865 7.3865 7.4124 7.4124 8.5790 8.5790 8.6344 8.6344 8.7326 8.7326 8.7416 8.7416 9.1254 9.1254 9.3677 9.3677 14.0663 14.0663 14.1443 14.1443 14.6690 14.6690 14.8184 14.8184 k = 0.0000 0.1842-0.0000 ( 2685 PWs) bands (ev): -49.8594 -49.8594 -24.2471 -24.2471 -16.6763 -16.6763 -16.6271 -16.6271 -7.3072 -7.3072 -7.3064 -7.3064 -7.1237 -7.1237 -6.4070 -6.4070 -6.2603 -6.2603 -4.6875 -4.6875 -4.6758 -4.6758 -4.6506 -4.6506 3.4668 3.4668 6.7782 6.7782 7.3902 7.3902 7.3907 7.3907 8.5491 8.5491 8.6105 8.6105 8.7144 8.7144 8.7326 8.7326 9.1175 9.1175 9.3649 9.3649 13.9913 13.9913 14.1499 14.1499 14.7198 14.7198 14.8814 14.8814 k = 0.0000 0.1974-0.0000 ( 2681 PWs) bands (ev): -49.8594 -49.8594 -24.2476 -24.2476 -16.6823 -16.6823 -16.6268 -16.6268 -7.3056 -7.3056 -7.3048 -7.3048 -7.1080 -7.1080 -6.4067 -6.4067 -6.2379 -6.2379 -4.6884 -4.6884 -4.6780 -4.6780 -4.6496 -4.6496 3.4323 3.4323 6.7801 6.7801 7.3611 7.3611 7.3938 7.3938 8.5183 8.5183 8.5862 8.5862 8.7064 8.7064 8.7233 8.7233 9.1121 9.1121 9.3626 9.3626 13.9079 13.9079 14.1552 14.1552 14.7709 14.7709 14.9455 14.9455 k = 0.0000 0.2105-0.0000 ( 2681 PWs) bands (ev): -49.8593 -49.8593 -24.2483 -24.2483 -16.6884 -16.6884 -16.6266 -16.6266 -7.3039 -7.3039 -7.3032 -7.3032 -7.0923 -7.0923 -6.4064 -6.4064 -6.2141 -6.2141 -4.6895 -4.6895 -4.6802 -4.6802 -4.6486 -4.6486 3.3977 3.3977 6.7773 6.7773 7.3252 7.3252 7.3972 7.3972 8.4857 8.4857 8.5617 8.5617 8.7103 8.7103 8.7138 8.7138 9.1089 9.1089 9.3607 9.3607 13.8178 13.8178 14.1600 14.1600 14.8191 14.8191 15.0096 15.0096 k = 0.0000 0.2237-0.0000 ( 2677 PWs) bands (ev): -49.8593 -49.8593 -24.2489 -24.2489 -16.6947 -16.6947 -16.6263 -16.6263 -7.3022 -7.3022 -7.3015 -7.3015 -7.0769 -7.0769 -6.4062 -6.4062 -6.1889 -6.1889 -4.6908 -4.6908 -4.6822 -4.6822 -4.6476 -4.6476 3.3630 3.3630 6.7676 6.7676 7.2858 7.2858 7.4004 7.4004 8.4515 8.4515 8.5372 8.5372 8.7041 8.7041 8.7264 8.7264 9.1073 9.1073 9.3593 9.3593 13.7221 13.7221 14.1646 14.1646 14.8615 14.8615 15.0729 15.0729 k = 0.0000 0.2368-0.0000 ( 2685 PWs) bands (ev): -49.8593 -49.8593 -24.2496 -24.2496 -16.7011 -16.7011 -16.6261 -16.6261 -7.3005 -7.3005 -7.2999 -7.2999 -7.0618 -7.0618 -6.4059 -6.4059 -6.1626 -6.1626 -4.6923 -4.6923 -4.6840 -4.6840 -4.6465 -4.6465 3.3287 3.3287 6.7489 6.7489 7.2469 7.2469 7.4032 7.4032 8.4160 8.4160 8.5131 8.5131 8.6944 8.6944 8.7537 8.7537 9.1071 9.1071 9.3582 9.3582 13.6220 13.6220 14.1690 14.1690 14.8956 14.8956 15.1345 15.1345 k = 0.0000 0.2500-0.0000 ( 2685 PWs) bands (ev): -49.8593 -49.8593 -24.2503 -24.2503 -16.7074 -16.7074 -16.6258 -16.6258 -7.2988 -7.2988 -7.2983 -7.2983 -7.0471 -7.0471 -6.4056 -6.4056 -6.1352 -6.1352 -4.6941 -4.6941 -4.6856 -4.6856 -4.6453 -4.6453 3.2948 3.2948 6.7189 6.7189 7.2124 7.2124 7.4058 7.4058 8.3797 8.3797 8.4895 8.4895 8.6846 8.6846 8.7909 8.7909 9.1080 9.1080 9.3574 9.3574 13.5183 13.5183 14.1731 14.1731 14.9194 14.9194 15.1934 15.1934 k = 0.0000 0.2632-0.0000 ( 2685 PWs) bands (ev): -49.8592 -49.8592 -24.2509 -24.2509 -16.7137 -16.7137 -16.6256 -16.6256 -7.2970 -7.2970 -7.2967 -7.2967 -7.0330 -7.0330 -6.4053 -6.4053 -6.1070 -6.1070 -4.6961 -4.6961 -4.6869 -4.6869 -4.6441 -4.6441 3.2617 3.2617 6.6764 6.6764 7.1852 7.1852 7.4080 7.4080 8.3431 8.3431 8.4666 8.4666 8.6749 8.6749 8.8364 8.8364 9.1097 9.1097 9.3570 9.3570 13.4119 13.4119 14.1769 14.1769 14.9324 14.9324 15.2488 15.2488 k = 0.0000 0.2763-0.0000 ( 2701 PWs) bands (ev): -49.8592 -49.8592 -24.2517 -24.2517 -16.7201 -16.7201 -16.6255 -16.6255 -7.2953 -7.2953 -7.2951 -7.2951 -7.0195 -7.0195 -6.4050 -6.4050 -6.0782 -6.0782 -4.6984 -4.6984 -4.6880 -4.6880 -4.6429 -4.6429 3.2295 3.2295 6.6219 6.6219 7.1667 7.1667 7.4097 7.4097 8.3065 8.3065 8.4446 8.4446 8.6654 8.6654 8.8888 8.8888 9.1121 9.1121 9.3569 9.3569 13.3035 13.3035 14.1806 14.1806 14.9349 14.9349 15.3001 15.3001 k = 0.0000 0.2895-0.0000 ( 2701 PWs) bands (ev): -49.8592 -49.8592 -24.2523 -24.2523 -16.7263 -16.7263 -16.6252 -16.6252 -7.2936 -7.2936 -7.2936 -7.2936 -7.0067 -7.0067 -6.4048 -6.4048 -6.0490 -6.0490 -4.7008 -4.7008 -4.6890 -4.6890 -4.6416 -4.6416 3.1984 3.1984 6.5576 6.5576 7.1562 7.1562 7.4110 7.4110 8.2703 8.2703 8.4236 8.4236 8.6559 8.6559 8.9469 8.9469 9.1150 9.1150 9.3571 9.3571 13.1939 13.1939 14.1842 14.1842 14.9284 14.9284 15.3466 15.3466 k = 0.0000 0.3026-0.0000 ( 2701 PWs) bands (ev): -49.8591 -49.8591 -24.2530 -24.2530 -16.7323 -16.7323 -16.6250 -16.6250 -7.2921 -7.2921 -7.2919 -7.2919 -6.9946 -6.9946 -6.4045 -6.4045 -6.0196 -6.0196 -4.7032 -4.7032 -4.6898 -4.6898 -4.6403 -4.6403 3.1686 3.1686 6.4863 6.4863 7.1521 7.1521 7.4119 7.4119 8.2348 8.2348 8.4038 8.4038 8.6468 8.6468 9.0094 9.0094 9.1184 9.1184 9.3575 9.3575 13.0838 13.0838 14.1875 14.1875 14.9149 14.9149 15.3881 15.3881 k = 0.0000 0.3158-0.0000 ( 2701 PWs) bands (ev): -49.8591 -49.8591 -24.2536 -24.2536 -16.7381 -16.7381 -16.6248 -16.6248 -7.2906 -7.2906 -7.2903 -7.2903 -6.9833 -6.9833 -6.4042 -6.4042 -5.9904 -5.9904 -4.7056 -4.7056 -4.6906 -4.6906 -4.6390 -4.6390 3.1401 3.1401 6.4110 6.4110 7.1528 7.1528 7.4123 7.4123 8.2002 8.2002 8.3854 8.3854 8.6379 8.6379 9.0752 9.0752 9.1221 9.1221 9.3581 9.3581 12.9740 12.9740 14.1906 14.1906 14.8964 14.8964 15.4243 15.4243 k = 0.0000 0.3289-0.0000 ( 2693 PWs) bands (ev): -49.8591 -49.8591 -24.2541 -24.2541 -16.7435 -16.7435 -16.6245 -16.6245 -7.2892 -7.2892 -7.2887 -7.2887 -6.9727 -6.9727 -6.4039 -6.4039 -5.9616 -5.9616 -4.7079 -4.7079 -4.6913 -4.6913 -4.6377 -4.6377 3.1131 3.1131 6.3341 6.3341 7.1570 7.1570 7.4123 7.4123 8.1667 8.1667 8.3682 8.3682 8.6294 8.6294 9.1250 9.1250 9.1446 9.1446 9.3588 9.3588 12.8650 12.8650 14.1936 14.1936 14.8746 14.8746 15.4553 15.4553 k = 0.0000 0.3421-0.0000 ( 2693 PWs) bands (ev): -49.8591 -49.8591 -24.2546 -24.2546 -16.7489 -16.7489 -16.6243 -16.6243 -7.2879 -7.2879 -7.2872 -7.2872 -6.9629 -6.9629 -6.4036 -6.4036 -5.9334 -5.9334 -4.7102 -4.7102 -4.6919 -4.6919 -4.6364 -4.6364 3.0878 3.0878 6.2574 6.2574 7.1635 7.1635 7.4119 7.4119 8.1346 8.1346 8.3525 8.3525 8.6213 8.6213 9.1294 9.1294 9.2142 9.2142 9.3597 9.3597 12.7576 12.7576 14.1964 14.1964 14.8510 14.8510 15.4813 15.4813 k = 0.0000 0.3553-0.0000 ( 2693 PWs) bands (ev): -49.8590 -49.8590 -24.2552 -24.2552 -16.7539 -16.7539 -16.6241 -16.6241 -7.2867 -7.2867 -7.2858 -7.2858 -6.9539 -6.9539 -6.4034 -6.4034 -5.9063 -5.9063 -4.7124 -4.7124 -4.6925 -4.6925 -4.6351 -4.6351 3.0642 3.0642 6.1826 6.1826 7.1716 7.1716 7.4111 7.4111 8.1039 8.1039 8.3382 8.3382 8.6136 8.6136 9.1333 9.1333 9.2850 9.2850 9.3606 9.3606 12.6526 12.6526 14.1990 14.1990 14.8268 14.8268 15.5025 15.5025 k = 0.0000 0.3684-0.0000 ( 2697 PWs) bands (ev): -49.8590 -49.8590 -24.2557 -24.2557 -16.7586 -16.7586 -16.6240 -16.6240 -7.2856 -7.2856 -7.2844 -7.2844 -6.9457 -6.9457 -6.4032 -6.4032 -5.8804 -5.8804 -4.7145 -4.7145 -4.6930 -4.6930 -4.6338 -4.6338 3.0425 3.0425 6.1110 6.1110 7.1806 7.1806 7.4101 7.4101 8.0750 8.0750 8.3253 8.3253 8.6064 8.6064 9.1372 9.1372 9.3558 9.3558 9.3616 9.3616 12.5508 12.5508 14.2014 14.2014 14.8027 14.8027 15.5197 15.5197 k = 0.0000 0.3816-0.0000 ( 2690 PWs) bands (ev): -49.8590 -49.8590 -24.2561 -24.2561 -16.7629 -16.7629 -16.6238 -16.6238 -7.2845 -7.2845 -7.2832 -7.2832 -6.9383 -6.9383 -6.4029 -6.4029 -5.8561 -5.8561 -4.7164 -4.7164 -4.6935 -4.6935 -4.6326 -4.6326 3.0226 3.0226 6.0435 6.0435 7.1900 7.1900 7.4089 7.4089 8.0479 8.0479 8.3138 8.3138 8.5998 8.5998 9.1408 9.1408 9.3626 9.3626 9.4255 9.4255 12.4530 12.4530 14.2036 14.2036 14.7795 14.7795 15.5331 15.5331 k = 0.0000 0.3947-0.0000 ( 2694 PWs) bands (ev): -49.8590 -49.8590 -24.2566 -24.2566 -16.7668 -16.7668 -16.6237 -16.6237 -7.2836 -7.2836 -7.2821 -7.2821 -6.9317 -6.9317 -6.4027 -6.4027 -5.8335 -5.8335 -4.7182 -4.7182 -4.6939 -4.6939 -4.6314 -4.6314 3.0047 3.0047 5.9812 5.9812 7.1996 7.1996 7.4075 7.4075 8.0230 8.0230 8.3038 8.3038 8.5938 8.5938 9.1443 9.1443 9.3636 9.3636 9.4932 9.4932 12.3602 12.3602 14.2056 14.2056 14.7577 14.7577 15.5434 15.5434 k = 0.0000 0.4079-0.0000 ( 2694 PWs) bands (ev): -49.8589 -49.8589 -24.2569 -24.2569 -16.7704 -16.7704 -16.6235 -16.6235 -7.2827 -7.2827 -7.2810 -7.2810 -6.9259 -6.9259 -6.4025 -6.4025 -5.8130 -5.8130 -4.7198 -4.7198 -4.6943 -4.6943 -4.6303 -4.6303 2.9888 2.9888 5.9246 5.9246 7.2088 7.2088 7.4060 7.4060 8.0003 8.0003 8.2950 8.2950 8.5884 8.5884 9.1475 9.1475 9.3646 9.3646 9.5578 9.5578 12.2735 12.2735 14.2073 14.2073 14.7377 14.7377 15.5512 15.5512 k = 0.0000 0.4211-0.0000 ( 2686 PWs) bands (ev): -49.8589 -49.8589 -24.2572 -24.2572 -16.7735 -16.7735 -16.6233 -16.6233 -7.2820 -7.2820 -7.2801 -7.2801 -6.9209 -6.9209 -6.4024 -6.4024 -5.7947 -5.7947 -4.7212 -4.7212 -4.6947 -4.6947 -4.6293 -4.6293 2.9750 2.9750 5.8743 5.8743 7.2176 7.2176 7.4045 7.4045 7.9800 7.9800 8.2876 8.2876 8.5837 8.5837 9.1504 9.1504 9.3655 9.3655 9.6181 9.6181 12.1940 12.1940 14.2089 14.2089 14.7199 14.7199 15.5569 15.5569 k = 0.0000 0.4342-0.0000 ( 2694 PWs) bands (ev): -49.8589 -49.8589 -24.2576 -24.2576 -16.7762 -16.7762 -16.6232 -16.6232 -7.2814 -7.2814 -7.2794 -7.2794 -6.9166 -6.9166 -6.4022 -6.4022 -5.7789 -5.7789 -4.7224 -4.7224 -4.6950 -4.6950 -4.6284 -4.6284 2.9633 2.9633 5.8310 5.8310 7.2254 7.2254 7.4031 7.4031 7.9625 7.9625 8.2814 8.2814 8.5796 8.5796 9.1529 9.1529 9.3663 9.3663 9.6727 9.6727 12.1232 12.1232 14.2102 14.2102 14.7044 14.7044 15.5609 15.5609 k = 0.0000 0.4474-0.0000 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2579 -24.2579 -16.7785 -16.7785 -16.6232 -16.6232 -7.2808 -7.2808 -7.2787 -7.2787 -6.9131 -6.9131 -6.4021 -6.4021 -5.7658 -5.7658 -4.7234 -4.7234 -4.6952 -4.6952 -4.6277 -4.6277 2.9536 2.9536 5.7950 5.7950 7.2323 7.2323 7.4019 7.4019 7.9478 7.9478 8.2764 8.2764 8.5762 8.5762 9.1551 9.1551 9.3669 9.3669 9.7202 9.7202 12.0624 12.0624 14.2113 14.2113 14.6915 14.6915 15.5637 15.5637 k = 0.0000 0.4605-0.0000 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2581 -24.2581 -16.7803 -16.7803 -16.6231 -16.6231 -7.2804 -7.2804 -7.2782 -7.2782 -6.9104 -6.9104 -6.4020 -6.4020 -5.7554 -5.7554 -4.7242 -4.7242 -4.6954 -4.6954 -4.6271 -4.6271 2.9461 2.9461 5.7667 5.7667 7.2379 7.2379 7.4009 7.4009 7.9361 7.9361 8.2726 8.2726 8.5736 8.5736 9.1567 9.1567 9.3675 9.3675 9.7592 9.7592 12.0131 12.0131 14.2122 14.2122 14.6813 14.6813 15.5655 15.5655 k = 0.0000 0.4737-0.0000 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2582 -24.2582 -16.7815 -16.7815 -16.6231 -16.6231 -7.2801 -7.2801 -7.2779 -7.2779 -6.9085 -6.9085 -6.4020 -6.4020 -5.7479 -5.7479 -4.7248 -4.7248 -4.6955 -4.6955 -4.6266 -4.6266 2.9407 2.9407 5.7462 5.7462 7.2420 7.2420 7.4001 7.4001 7.9277 7.9277 8.2699 8.2699 8.5717 8.5717 9.1580 9.1580 9.3679 9.3679 9.7883 9.7883 11.9766 11.9766 14.2128 14.2128 14.6740 14.6740 15.5666 15.5666 k = 0.0000 0.4868-0.0000 ( 2718 PWs) bands (ev): -49.8589 -49.8589 -24.2585 -24.2585 -16.7823 -16.7823 -16.6232 -16.6232 -7.2800 -7.2800 -7.2776 -7.2776 -6.9074 -6.9074 -6.4019 -6.4019 -5.7433 -5.7433 -4.7251 -4.7251 -4.6956 -4.6956 -4.6264 -4.6264 2.9375 2.9375 5.7339 5.7339 7.2445 7.2445 7.3996 7.3996 7.9226 7.9226 8.2683 8.2683 8.5706 8.5706 9.1587 9.1587 9.3681 9.3681 9.8062 9.8062 11.9542 11.9542 14.2131 14.2131 14.6695 14.6695 15.5672 15.5672 k = 0.0000 0.5000-0.0000 ( 2730 PWs) bands (ev): -49.8589 -49.8589 -24.2586 -24.2586 -16.7827 -16.7827 -16.6232 -16.6232 -7.2799 -7.2799 -7.2776 -7.2776 -6.9070 -6.9070 -6.4019 -6.4019 -5.7418 -5.7418 -4.7253 -4.7253 -4.6956 -4.6956 -4.6263 -4.6263 2.9364 2.9364 5.7298 5.7298 7.2454 7.2454 7.3995 7.3995 7.9209 7.9209 8.2677 8.2677 8.5702 8.5702 9.1589 9.1589 9.3682 9.3682 9.8123 9.8123 11.9467 11.9467 14.2133 14.2133 14.6680 14.6680 15.5674 15.5674 k = 0.0000 0.5000-0.0000 ( 2730 PWs) bands (ev): -49.8589 -49.8589 -24.2586 -24.2586 -16.7827 -16.7827 -16.6232 -16.6232 -7.2799 -7.2799 -7.2776 -7.2776 -6.9070 -6.9070 -6.4019 -6.4019 -5.7418 -5.7418 -4.7253 -4.7253 -4.6956 -4.6956 -4.6263 -4.6263 2.9364 2.9364 5.7298 5.7298 7.2454 7.2454 7.3995 7.3995 7.9209 7.9209 8.2677 8.2677 8.5702 8.5702 9.1589 9.1589 9.3682 9.3682 9.8123 9.8123 11.9467 11.9467 14.2133 14.2133 14.6680 14.6680 15.5674 15.5674 k = 0.0132 0.5000-0.0000 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2584 -24.2584 -16.7826 -16.7826 -16.6232 -16.6232 -7.2801 -7.2801 -7.2776 -7.2776 -6.9058 -6.9058 -6.4013 -6.4013 -5.7416 -5.7416 -4.7252 -4.7252 -4.6956 -4.6956 -4.6263 -4.6263 2.9358 2.9358 5.7298 5.7298 7.2450 7.2450 7.3990 7.3990 7.9192 7.9192 8.2659 8.2659 8.5734 8.5734 9.1554 9.1554 9.3642 9.3642 9.8104 9.8104 11.9507 11.9507 14.2170 14.2170 14.6672 14.6672 15.5667 15.5667 k = 0.0263 0.5000-0.0000 ( 2702 PWs) bands (ev): -49.8589 -49.8589 -24.2584 -24.2584 -16.7827 -16.7827 -16.6238 -16.6238 -7.2807 -7.2807 -7.2778 -7.2778 -6.9023 -6.9023 -6.3996 -6.3996 -5.7409 -5.7409 -4.7249 -4.7249 -4.6955 -4.6955 -4.6264 -4.6264 2.9341 2.9341 5.7301 5.7301 7.2440 7.2440 7.3975 7.3975 7.9140 7.9140 8.2603 8.2603 8.5830 8.5830 9.1445 9.1445 9.3527 9.3527 9.8048 9.8048 11.9627 11.9627 14.2282 14.2282 14.6645 14.6645 15.5645 15.5645 k = 0.0395 0.5000-0.0000 ( 2698 PWs) bands (ev): -49.8589 -49.8589 -24.2585 -24.2585 -16.7830 -16.7830 -16.6248 -16.6248 -7.2819 -7.2819 -7.2779 -7.2779 -6.8966 -6.8966 -6.3967 -6.3967 -5.7397 -5.7397 -4.7245 -4.7245 -4.6953 -4.6953 -4.6266 -4.6266 2.9313 2.9313 5.7305 5.7305 7.2420 7.2420 7.3956 7.3956 7.9052 7.9052 8.2512 8.2512 8.5986 8.5986 9.1255 9.1255 9.3348 9.3348 9.7955 9.7955 11.9823 11.9823 14.2467 14.2467 14.6601 14.6601 15.5609 15.5609 k = 0.0526 0.5000-0.0000 ( 2698 PWs) bands (ev): -49.8589 -49.8589 -24.2587 -24.2587 -16.7834 -16.7834 -16.6261 -16.6261 -7.2835 -7.2835 -7.2779 -7.2779 -6.8888 -6.8888 -6.3926 -6.3926 -5.7380 -5.7380 -4.7239 -4.7239 -4.6951 -4.6951 -4.6269 -4.6269 2.9273 2.9273 5.7311 5.7311 7.2389 7.2389 7.3938 7.3938 7.8924 7.8924 8.2391 8.2391 8.6199 8.6199 9.0975 9.0975 9.3123 9.3123 9.7826 9.7826 12.0091 12.0091 14.2724 14.2724 14.6540 14.6540 15.5557 15.5557 k = 0.0658 0.5000-0.0000 ( 2702 PWs) bands (ev): -49.8589 -49.8589 -24.2590 -24.2590 -16.7839 -16.7839 -16.6279 -16.6279 -7.2856 -7.2856 -7.2780 -7.2780 -6.8790 -6.8790 -6.3872 -6.3872 -5.7359 -5.7359 -4.7232 -4.7232 -4.6947 -4.6947 -4.6272 -4.6272 2.9222 2.9222 5.7319 5.7319 7.2343 7.2343 7.3928 7.3928 7.8752 7.8752 8.2245 8.2245 8.6463 8.6463 9.0597 9.0597 9.2871 9.2871 9.7661 9.7661 12.0425 12.0425 14.3050 14.3050 14.6463 14.6463 15.5489 15.5489 k = 0.0789 0.5000-0.0000 ( 2698 PWs) bands (ev): -49.8589 -49.8589 -24.2592 -24.2592 -16.7845 -16.7845 -16.6299 -16.6299 -7.2880 -7.2880 -7.2780 -7.2780 -6.8675 -6.8675 -6.3805 -6.3805 -5.7334 -5.7334 -4.7224 -4.7224 -4.6943 -4.6943 -4.6275 -4.6275 2.9161 2.9161 5.7328 5.7328 7.2282 7.2282 7.3933 7.3933 7.8531 7.8531 8.2080 8.2080 8.6772 8.6772 9.0117 9.0117 9.2610 9.2610 9.7463 9.7463 12.0818 12.0818 14.3444 14.3444 14.6373 14.6373 15.5405 15.5405 k = 0.0921 0.5000-0.0000 ( 2694 PWs) bands (ev): -49.8588 -49.8588 -24.2595 -24.2595 -16.7853 -16.7853 -16.6322 -16.6322 -7.2908 -7.2908 -7.2780 -7.2780 -6.8543 -6.8543 -6.3723 -6.3723 -5.7303 -5.7303 -4.7215 -4.7215 -4.6938 -4.6938 -4.6279 -4.6279 2.9089 2.9089 5.7338 5.7338 7.2204 7.2204 7.3956 7.3956 7.8255 7.8255 8.1903 8.1903 8.7119 8.7119 8.9539 8.9539 9.2348 9.2348 9.7232 9.7232 12.1264 12.1264 14.3902 14.3902 14.6269 14.6269 15.5304 15.5304 k = 0.1053 0.5000-0.0000 ( 2694 PWs) bands (ev): -49.8588 -49.8588 -24.2599 -24.2599 -16.7862 -16.7862 -16.6349 -16.6349 -7.2939 -7.2939 -7.2780 -7.2780 -6.8399 -6.8399 -6.3627 -6.3627 -5.7269 -5.7269 -4.7206 -4.7206 -4.6932 -4.6932 -4.6283 -4.6283 2.9008 2.9008 5.7350 5.7350 7.2114 7.2114 7.4000 7.4000 7.7921 7.7921 8.1719 8.1719 8.7497 8.7497 8.8876 8.8876 9.2088 9.2088 9.6971 9.6971 12.1753 12.1753 14.4420 14.4420 14.6156 14.6156 15.5186 15.5186 k = 0.1184 0.5000-0.0000 ( 2690 PWs) bands (ev): -49.8588 -49.8588 -24.2602 -24.2602 -16.7872 -16.7872 -16.6377 -16.6377 -7.2972 -7.2972 -7.2780 -7.2780 -6.8244 -6.8244 -6.3515 -6.3515 -5.7229 -5.7229 -4.7196 -4.7196 -4.6926 -4.6926 -4.6287 -4.6287 2.8918 2.8918 5.7364 5.7364 7.2014 7.2014 7.4065 7.4065 7.7523 7.7523 8.1535 8.1535 8.7899 8.7899 8.8145 8.8145 9.1831 9.1831 9.6682 9.6682 12.2279 12.2279 14.4995 14.4995 14.6034 14.6034 15.5049 15.5049 k = 0.1316 0.5000-0.0000 ( 2688 PWs) bands (ev): -49.8588 -49.8588 -24.2607 -24.2607 -16.7884 -16.7884 -16.6408 -16.6408 -7.3006 -7.3006 -7.2779 -7.2779 -6.8081 -6.8081 -6.3386 -6.3386 -5.7186 -5.7186 -4.7186 -4.7186 -4.6918 -4.6918 -4.6290 -4.6290 2.8819 2.8819 5.7378 5.7378 7.1909 7.1909 7.4149 7.4149 7.7059 7.7059 8.1353 8.1353 8.7361 8.7361 8.8321 8.8321 9.1576 9.1576 9.6368 9.6368 12.2834 12.2834 14.5622 14.5622 14.5909 14.5909 15.4893 15.4893 k = 0.1447 0.5000-0.0000 ( 2692 PWs) bands (ev): -49.8587 -49.8587 -24.2612 -24.2612 -16.7897 -16.7897 -16.6441 -16.6441 -7.3043 -7.3043 -7.2779 -7.2779 -6.7914 -6.7914 -6.3239 -6.3239 -5.7138 -5.7138 -4.7176 -4.7176 -4.6910 -4.6910 -4.6293 -4.6293 2.8712 2.8712 5.7393 5.7393 7.1805 7.1805 7.4251 7.4251 7.6530 7.6530 8.1176 8.1176 8.6543 8.6543 8.8751 8.8751 9.1322 9.1322 9.6033 9.6033 12.3409 12.3409 14.5777 14.5777 14.6300 14.6300 15.4720 15.4720 k = 0.1579 0.5000-0.0000 ( 2692 PWs) bands (ev): -49.8587 -49.8587 -24.2617 -24.2617 -16.7913 -16.7913 -16.6475 -16.6475 -7.3080 -7.3080 -7.2779 -7.2779 -6.7744 -6.7744 -6.3073 -6.3073 -5.7086 -5.7086 -4.7166 -4.7166 -4.6902 -4.6902 -4.6295 -4.6295 2.8598 2.8598 5.7409 5.7409 7.1705 7.1705 7.4366 7.4366 7.5936 7.5936 8.1005 8.1005 8.5707 8.5707 8.9181 8.9181 9.1069 9.1069 9.5684 9.5684 12.3999 12.3999 14.5651 14.5651 14.7019 14.7019 15.4528 15.4528 k = 0.1711 0.5000-0.0000 ( 2692 PWs) bands (ev): -49.8587 -49.8587 -24.2622 -24.2622 -16.7930 -16.7930 -16.6509 -16.6509 -7.3119 -7.3119 -7.2778 -7.2778 -6.7576 -6.7576 -6.2889 -6.2889 -5.7029 -5.7029 -4.7158 -4.7158 -4.6893 -4.6893 -4.6295 -4.6295 2.8477 2.8477 5.7426 5.7426 7.1614 7.1614 7.4483 7.4483 7.5290 7.5290 8.0838 8.0838 8.4866 8.4866 8.9603 8.9603 9.0818 9.0818 9.5327 9.5327 12.4594 12.4594 14.5530 14.5530 14.7776 14.7776 15.4320 15.4320 k = 0.1842 0.5000-0.0000 ( 2688 PWs) bands (ev): -49.8587 -49.8587 -24.2628 -24.2628 -16.7949 -16.7949 -16.6543 -16.6543 -7.3158 -7.3158 -7.2778 -7.2778 -6.7410 -6.7410 -6.2685 -6.2685 -5.6968 -5.6968 -4.7150 -4.7150 -4.6885 -4.6885 -4.6294 -4.6294 2.8351 2.8351 5.7443 5.7443 7.1535 7.1535 7.4423 7.4423 7.4772 7.4772 8.0675 8.0675 8.4033 8.4033 9.0000 9.0000 9.0571 9.0571 9.4974 9.4974 12.5188 12.5188 14.5418 14.5418 14.8566 14.8566 15.4095 15.4095 k = 0.1974 0.5000-0.0000 ( 2696 PWs) bands (ev): -49.8586 -49.8586 -24.2634 -24.2634 -16.7970 -16.7970 -16.6578 -16.6578 -7.3197 -7.3197 -7.2777 -7.2777 -6.7250 -6.7250 -6.2464 -6.2464 -5.6903 -5.6903 -4.7142 -4.7142 -4.6877 -4.6877 -4.6291 -4.6291 2.8220 2.8220 5.7460 5.7460 7.1469 7.1469 7.3728 7.3728 7.4844 7.4844 8.0515 8.0515 8.3219 8.3219 9.0303 9.0303 9.0378 9.0378 9.4645 9.4645 12.5774 12.5774 14.5321 14.5321 14.9383 14.9383 15.3857 15.3857 k = 0.2105 0.5000-0.0000 ( 2696 PWs) bands (ev): -49.8586 -49.8586 -24.2640 -24.2640 -16.7993 -16.7993 -16.6612 -16.6612 -7.3237 -7.3237 -7.2777 -7.2777 -6.7097 -6.7097 -6.2225 -6.2225 -5.6833 -5.6833 -4.7136 -4.7136 -4.6871 -4.6871 -4.6285 -4.6285 2.8086 2.8086 5.7476 5.7476 7.1418 7.1418 7.2910 7.2910 7.4998 7.4998 8.0358 8.0358 8.2430 8.2430 9.0082 9.0082 9.0642 9.0642 9.4367 9.4367 12.6345 12.6345 14.5242 14.5242 15.0219 15.0219 15.3611 15.3611 k = 0.2237 0.5000-0.0000 ( 2696 PWs) bands (ev): -49.8586 -49.8586 -24.2646 -24.2646 -16.8018 -16.8018 -16.6646 -16.6646 -7.3276 -7.3276 -7.2777 -7.2777 -6.6953 -6.6953 -6.1970 -6.1970 -5.6758 -5.6758 -4.7130 -4.7130 -4.6865 -4.6865 -4.6277 -4.6277 2.7948 2.7948 5.7492 5.7492 7.1376 7.1376 7.2052 7.2052 7.5167 7.5167 8.0202 8.0202 8.1675 8.1675 8.9848 8.9848 9.0812 9.0812 9.4180 9.4180 12.6893 12.6893 14.5186 14.5186 15.1058 15.1058 15.3367 15.3367 k = 0.2368 0.5000-0.0000 ( 2696 PWs) bands (ev): -49.8586 -49.8586 -24.2653 -24.2653 -16.8044 -16.8044 -16.6678 -16.6678 -7.3315 -7.3315 -7.2776 -7.2776 -6.6817 -6.6817 -6.1702 -6.1702 -5.6678 -5.6678 -4.7126 -4.7126 -4.6862 -4.6862 -4.6266 -4.6266 2.7809 2.7809 5.7506 5.7506 7.1075 7.1075 7.1436 7.1436 7.5343 7.5343 8.0046 8.0046 8.0955 8.0955 8.9620 8.9620 9.0830 9.0830 9.4123 9.4123 12.7414 12.7414 14.5158 14.5158 15.1855 15.1855 15.3169 15.3169 k = 0.2500 0.5000-0.0000 ( 2700 PWs) bands (ev): -49.8585 -49.8585 -24.2660 -24.2660 -16.8073 -16.8073 -16.6709 -16.6709 -7.3354 -7.3354 -7.2776 -7.2776 -6.6691 -6.6691 -6.1424 -6.1424 -5.6593 -5.6593 -4.7122 -4.7122 -4.6860 -4.6860 -4.6253 -4.6253 2.7668 2.7668 5.7518 5.7518 7.0178 7.0178 7.1410 7.1410 7.5523 7.5523 7.9891 7.9891 8.0276 8.0276 8.9399 8.9399 9.0687 9.0687 9.4206 9.4206 12.7901 12.7901 14.5159 14.5159 15.2345 15.2345 15.3277 15.3277 k = 0.2632 0.5000-0.0000 ( 2684 PWs) bands (ev): -49.8585 -49.8585 -24.2664 -24.2664 -16.8101 -16.8101 -16.6736 -16.6736 -7.3392 -7.3392 -7.2775 -7.2775 -6.6574 -6.6574 -6.1139 -6.1139 -5.6502 -5.6502 -4.7119 -4.7119 -4.6860 -4.6860 -4.6237 -4.6237 2.7528 2.7528 5.7528 5.7528 6.9237 6.9237 7.1435 7.1435 7.5705 7.5705 7.9627 7.9627 7.9747 7.9747 8.9183 8.9183 9.0412 9.0412 9.4404 9.4404 12.8349 12.8349 14.5194 14.5194 15.2265 15.2265 15.3954 15.3954 k = 0.2763 0.5000-0.0000 ( 2684 PWs) bands (ev): -49.8585 -49.8585 -24.2670 -24.2670 -16.8132 -16.8132 -16.6764 -16.6764 -7.3429 -7.3429 -7.2775 -7.2775 -6.6467 -6.6467 -6.0852 -6.0852 -5.6405 -5.6405 -4.7117 -4.7117 -4.6862 -4.6862 -4.6218 -4.6218 2.7388 2.7388 5.7534 5.7534 6.8289 6.8289 7.1482 7.1482 7.5887 7.5887 7.9034 7.9034 7.9591 7.9591 8.8969 8.8969 9.0050 9.0050 9.4675 9.4675 12.8755 12.8755 14.5264 14.5264 15.2016 15.2016 15.4793 15.4793 k = 0.2895 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8584 -49.8584 -24.2676 -24.2676 -16.8163 -16.8163 -16.6789 -16.6789 -7.3465 -7.3465 -7.2774 -7.2774 -6.6369 -6.6369 -6.0565 -6.0565 -5.6301 -5.6301 -4.7115 -4.7115 -4.6866 -4.6866 -4.6198 -4.6198 2.7251 2.7251 5.7535 5.7535 6.7348 6.7348 7.1549 7.1549 7.6065 7.6065 7.8478 7.8478 7.9440 7.9440 8.8749 8.8749 8.9643 8.9643 9.4985 9.4985 12.9115 12.9115 14.5369 14.5369 15.1735 15.1735 15.5656 15.5656 k = 0.3026 0.5000-0.0000 ( 2672 PWs) bands (ev): -49.8584 -49.8584 -24.2682 -24.2682 -16.8195 -16.8195 -16.6812 -16.6812 -7.3499 -7.3499 -7.2774 -7.2774 -6.6279 -6.6279 -6.0283 -6.0283 -5.6191 -5.6191 -4.7114 -4.7114 -4.6870 -4.6870 -4.6176 -4.6176 2.7116 2.7116 5.7530 5.7530 6.6423 6.6423 7.1635 7.1635 7.6235 7.6235 7.7968 7.7968 7.9293 7.9293 8.8502 8.8502 8.9238 8.9238 9.5312 9.5312 12.9430 12.9430 14.5509 14.5509 15.1446 15.1446 15.6515 15.6515 k = 0.3158 0.5000-0.0000 ( 2676 PWs) bands (ev): -49.8584 -49.8584 -24.2688 -24.2688 -16.8227 -16.8227 -16.6833 -16.6833 -7.3533 -7.3533 -7.2774 -7.2774 -6.6197 -6.6197 -6.0010 -6.0010 -5.6075 -5.6075 -4.7114 -4.7114 -4.6876 -4.6876 -4.6153 -4.6153 2.6985 2.6985 5.7517 5.7517 6.5527 6.5527 7.1738 7.1738 7.6382 7.6382 7.7516 7.7516 7.9150 7.9150 8.8190 8.8190 8.8887 8.8887 9.5641 9.5641 12.9698 12.9698 14.5680 14.5680 15.1157 15.1157 15.7358 15.7358 k = 0.3289 0.5000-0.0000 ( 2676 PWs) bands (ev): -49.8583 -49.8583 -24.2694 -24.2694 -16.8260 -16.8260 -16.6852 -16.6852 -7.3564 -7.3564 -7.2773 -7.2773 -6.6123 -6.6123 -5.9750 -5.9750 -5.5952 -5.5952 -4.7114 -4.7114 -4.6883 -4.6883 -4.6130 -4.6130 2.6859 2.6859 5.7494 5.7494 6.4669 6.4669 7.1856 7.1856 7.6462 7.6462 7.7166 7.7166 7.9010 7.9010 8.7792 8.7792 8.8625 8.8625 9.5964 9.5964 12.9923 12.9923 14.5880 14.5880 15.0875 15.0875 15.8176 15.8176 k = 0.3421 0.5000-0.0000 ( 2682 PWs) bands (ev): -49.8583 -49.8583 -24.2700 -24.2700 -16.8292 -16.8292 -16.6870 -16.6870 -7.3594 -7.3594 -7.2773 -7.2773 -6.6056 -6.6056 -5.9505 -5.9505 -5.5823 -5.5823 -4.7115 -4.7115 -4.6889 -4.6889 -4.6106 -4.6106 2.6738 2.6738 5.7458 5.7458 6.3860 6.3860 7.1986 7.1986 7.6352 7.6352 7.7038 7.7038 7.8876 7.8876 8.7334 8.7334 8.8432 8.8432 9.6275 9.6275 13.0105 13.0105 14.6101 14.6101 15.0603 15.0603 15.8962 15.8962 k = 0.3553 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8583 -49.8583 -24.2705 -24.2705 -16.8323 -16.8323 -16.6886 -16.6886 -7.3622 -7.3622 -7.2772 -7.2772 -6.5995 -6.5995 -5.9279 -5.9279 -5.5689 -5.5689 -4.7117 -4.7117 -4.6896 -4.6896 -4.6083 -4.6083 2.6624 2.6624 5.7406 5.7406 6.3110 6.3110 7.2125 7.2125 7.6081 7.6081 7.7104 7.7104 7.8748 7.8748 8.6851 8.6851 8.8279 8.8279 9.6569 9.6569 13.0250 13.0250 14.6340 14.6340 15.0343 15.0343 15.9706 15.9706 k = 0.3684 0.5000-0.0000 ( 2674 PWs) bands (ev): -49.8582 -49.8582 -24.2709 -24.2709 -16.8352 -16.8352 -16.6899 -16.6899 -7.3648 -7.3648 -7.2772 -7.2772 -6.5941 -6.5941 -5.9074 -5.9074 -5.5552 -5.5552 -4.7119 -4.7119 -4.6903 -4.6903 -4.6060 -4.6060 2.6517 2.6517 5.7336 5.7336 6.2428 6.2428 7.2268 7.2268 7.5787 7.5787 7.7224 7.7224 7.8628 7.8628 8.6365 8.6365 8.8151 8.8151 9.6844 9.6844 13.0361 13.0361 14.6587 14.6587 15.0101 15.0101 16.0402 16.0403 k = 0.3816 0.5000-0.0000 ( 2678 PWs) bands (ev): -49.8582 -49.8582 -24.2714 -24.2714 -16.8381 -16.8381 -16.6911 -16.6911 -7.3672 -7.3672 -7.2772 -7.2772 -6.5893 -6.5893 -5.8890 -5.8890 -5.5415 -5.5415 -4.7121 -4.7121 -4.6910 -4.6910 -4.6039 -4.6039 2.6418 2.6418 5.7243 5.7243 6.1822 6.1822 7.2410 7.2410 7.5519 7.5519 7.7353 7.7353 7.8515 7.8515 8.5888 8.5888 8.8042 8.8042 9.7097 9.7097 13.0444 13.0444 14.6836 14.6836 14.9877 14.9877 16.1041 16.1041 k = 0.3947 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2718 -24.2718 -16.8407 -16.8407 -16.6922 -16.6922 -7.3694 -7.3694 -7.2771 -7.2771 -6.5850 -6.5850 -5.8728 -5.8728 -5.5279 -5.5279 -4.7124 -4.7124 -4.6916 -4.6916 -4.6019 -4.6019 2.6327 2.6327 5.7127 5.7127 6.1300 6.1300 7.2544 7.2544 7.5290 7.5290 7.7478 7.7478 7.8412 7.8412 8.5430 8.5430 8.7948 8.7948 9.7327 9.7327 13.0502 13.0502 14.7078 14.7078 14.9674 14.9674 16.1613 16.1613 k = 0.4079 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2722 -24.2722 -16.8431 -16.8431 -16.6931 -16.6931 -7.3714 -7.3714 -7.2771 -7.2771 -6.5813 -6.5813 -5.8588 -5.8588 -5.5149 -5.5149 -4.7126 -4.7126 -4.6921 -4.6921 -4.6000 -4.6000 2.6246 2.6246 5.6988 5.6988 6.0865 6.0865 7.2664 7.2664 7.5106 7.5106 7.7593 7.7593 7.8319 7.8319 8.4998 8.4998 8.7867 8.7867 9.7532 9.7532 13.0542 13.0542 14.7306 14.7306 14.9496 14.9496 16.2110 16.2110 k = 0.4211 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2725 -24.2725 -16.8452 -16.8452 -16.6938 -16.6938 -7.3731 -7.3731 -7.2771 -7.2771 -6.5781 -6.5781 -5.8469 -5.8469 -5.5027 -5.5027 -4.7129 -4.7129 -4.6926 -4.6926 -4.5984 -4.5984 2.6174 2.6174 5.6833 5.6833 6.0515 6.0515 7.2762 7.2762 7.4970 7.4970 7.7696 7.7696 7.8236 7.8236 8.4601 8.4601 8.7799 8.7799 9.7711 9.7711 13.0566 13.0566 14.7513 14.7513 14.9346 14.9346 16.2523 16.2523 k = 0.4342 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2728 -24.2728 -16.8471 -16.8471 -16.6945 -16.6945 -7.3745 -7.3745 -7.2771 -7.2771 -6.5755 -6.5755 -5.8371 -5.8371 -5.4918 -5.4918 -4.7132 -4.7132 -4.6929 -4.6929 -4.5969 -4.5969 2.6113 2.6113 5.6671 5.6671 6.0244 6.0244 7.2835 7.2835 7.4882 7.4882 7.7786 7.7786 7.8165 7.8165 8.4245 8.4245 8.7742 8.7742 9.7864 9.7864 13.0580 13.0580 14.7690 14.7690 14.9224 14.9224 16.2848 16.2848 k = 0.4474 0.5000-0.0000 ( 2682 PWs) bands (ev): -49.8582 -49.8582 -24.2731 -24.2731 -16.8486 -16.8486 -16.6950 -16.6950 -7.3757 -7.3757 -7.2771 -7.2771 -6.5733 -6.5733 -5.8292 -5.8292 -5.4823 -5.4823 -4.7134 -4.7134 -4.6933 -4.6933 -4.5957 -4.5957 2.6062 2.6062 5.6514 5.6514 6.0042 6.0042 7.2881 7.2881 7.4837 7.4837 7.7860 7.7860 7.8106 7.8106 8.3938 8.3938 8.7696 8.7696 9.7990 9.7990 13.0587 13.0587 14.7833 14.7833 14.9133 14.9133 16.3088 16.3088 k = 0.4605 0.5000-0.0000 ( 2686 PWs) bands (ev): -49.8582 -49.8582 -24.2733 -24.2733 -16.8499 -16.8499 -16.6954 -16.6954 -7.3767 -7.3767 -7.2771 -7.2771 -6.5716 -6.5716 -5.8232 -5.8232 -5.4747 -5.4747 -4.7136 -4.7136 -4.6935 -4.6935 -4.5948 -4.5948 2.6022 2.6022 5.6377 5.6377 5.9898 5.9898 7.2906 7.2906 7.4822 7.4822 7.7918 7.7918 7.8060 7.8060 8.3689 8.3689 8.7661 8.7661 9.8088 9.8088 13.0589 13.0589 14.7939 14.7939 14.9071 14.9071 16.3253 16.3253 k = 0.4737 0.5000-0.0000 ( 2686 PWs) bands (ev): -49.8582 -49.8582 -24.2734 -24.2734 -16.8507 -16.8507 -16.6956 -16.6956 -7.3774 -7.3774 -7.2770 -7.2770 -6.5705 -6.5705 -5.8190 -5.8190 -5.4691 -5.4691 -4.7138 -4.7138 -4.6937 -4.6937 -4.5941 -4.5941 2.5994 2.5994 5.6270 5.6270 5.9803 5.9803 7.2916 7.2916 7.4825 7.4825 7.7958 7.7958 7.8029 7.8029 8.3505 8.3505 8.7636 8.7636 9.8159 9.8159 13.0589 13.0589 14.8008 14.8008 14.9035 14.9035 16.3356 16.3356 k = 0.4868 0.5000-0.0000 ( 2686 PWs) bands (ev): -49.8581 -49.8581 -24.2735 -24.2735 -16.8513 -16.8513 -16.6958 -16.6958 -7.3778 -7.3778 -7.2770 -7.2770 -6.5697 -6.5697 -5.8165 -5.8165 -5.4656 -5.4656 -4.7139 -4.7139 -4.6938 -4.6938 -4.5937 -4.5937 2.5976 2.5976 5.6202 5.6202 5.9749 5.9749 7.2919 7.2919 7.4833 7.4833 7.7977 7.7977 7.8015 7.8015 8.3392 8.3392 8.7621 8.7621 9.8201 9.8201 13.0588 13.0588 14.8046 14.8046 14.9018 14.9018 16.3413 16.3413 k = 0.5000 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8581 -49.8581 -24.2734 -24.2734 -16.8514 -16.8514 -16.6958 -16.6958 -7.3779 -7.3779 -7.2770 -7.2770 -6.5695 -6.5695 -5.8156 -5.8156 -5.4645 -5.4645 -4.7139 -4.7139 -4.6938 -4.6938 -4.5935 -4.5935 2.5971 2.5971 5.6179 5.6179 5.9731 5.9731 7.2919 7.2919 7.4837 7.4837 7.7979 7.7979 7.8014 7.8014 8.3354 8.3354 8.7616 8.7616 9.8215 9.8215 13.0588 13.0588 14.8058 14.8058 14.9014 14.9014 16.3430 16.3430 k = 0.5000 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8581 -49.8581 -24.2734 -24.2734 -16.8514 -16.8514 -16.6958 -16.6958 -7.3779 -7.3779 -7.2770 -7.2770 -6.5695 -6.5695 -5.8156 -5.8156 -5.4645 -5.4645 -4.7139 -4.7139 -4.6938 -4.6938 -4.5935 -4.5935 2.5971 2.5971 5.6179 5.6179 5.9731 5.9731 7.2919 7.2919 7.4837 7.4837 7.7979 7.7979 7.8014 7.8014 8.3354 8.3354 8.7616 8.7616 9.8215 9.8215 13.0588 13.0588 14.8058 14.8058 14.9014 14.9014 16.3430 16.3430 k = 0.4907 0.4907-0.0000 ( 2682 PWs) bands (ev): -49.8581 -49.8581 -24.2734 -24.2734 -16.8512 -16.8512 -16.6958 -16.6958 -7.3778 -7.3778 -7.2770 -7.2770 -6.5697 -6.5697 -5.8165 -5.8165 -5.4656 -5.4656 -4.7139 -4.7139 -4.6938 -4.6938 -4.5937 -4.5937 2.5976 2.5976 5.6202 5.6202 5.9748 5.9748 7.2919 7.2919 7.4833 7.4833 7.7977 7.7977 7.8015 7.8015 8.3392 8.3392 8.7621 8.7621 9.8201 9.8201 13.0588 13.0588 14.8047 14.8047 14.9018 14.9018 16.3413 16.3413 k = 0.4815 0.4815-0.0000 ( 2692 PWs) bands (ev): -49.8582 -49.8582 -24.2735 -24.2735 -16.8508 -16.8508 -16.6957 -16.6957 -7.3774 -7.3774 -7.2770 -7.2770 -6.5704 -6.5704 -5.8189 -5.8189 -5.4691 -5.4691 -4.7138 -4.7138 -4.6937 -4.6937 -4.5941 -4.5941 2.5993 2.5993 5.6271 5.6271 5.9800 5.9800 7.2919 7.2919 7.4823 7.4823 7.7959 7.7959 7.8028 7.8028 8.3504 8.3504 8.7636 8.7636 9.8159 9.8159 13.0589 13.0589 14.8010 14.8010 14.9035 14.9035 16.3361 16.3361 k = 0.4722 0.4722-0.0000 ( 2692 PWs) bands (ev): -49.8582 -49.8582 -24.2733 -24.2733 -16.8499 -16.8499 -16.6954 -16.6954 -7.3767 -7.3767 -7.2771 -7.2771 -6.5716 -6.5716 -5.8231 -5.8231 -5.4748 -5.4748 -4.7136 -4.7136 -4.6935 -4.6935 -4.5948 -4.5948 2.6022 2.6022 5.6386 5.6386 5.9886 5.9886 7.2917 7.2917 7.4808 7.4808 7.7920 7.7920 7.8059 7.8059 8.3688 8.3688 8.7660 8.7660 9.8090 9.8090 13.0590 13.0590 14.7944 14.7944 14.9068 14.9068 16.3276 16.3276 k = 0.4630 0.4630-0.0000 ( 2688 PWs) bands (ev): -49.8582 -49.8582 -24.2731 -24.2731 -16.8486 -16.8486 -16.6950 -16.6950 -7.3758 -7.3758 -7.2771 -7.2771 -6.5733 -6.5733 -5.8288 -5.8288 -5.4827 -5.4827 -4.7134 -4.7134 -4.6933 -4.6933 -4.5957 -4.5957 2.6062 2.6062 5.6546 5.6546 6.0006 6.0006 7.2916 7.2916 7.4795 7.4795 7.7864 7.7864 7.8104 7.8104 8.3938 8.3938 8.7694 8.7694 9.7993 9.7993 13.0589 13.0589 14.7848 14.7848 14.9124 14.9124 16.3156 16.3156 k = 0.4537 0.4537-0.0000 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2728 -24.2728 -16.8470 -16.8470 -16.6945 -16.6945 -7.3746 -7.3746 -7.2771 -7.2771 -6.5754 -6.5754 -5.8361 -5.8361 -5.4928 -5.4928 -4.7131 -4.7131 -4.6930 -4.6930 -4.5969 -4.5969 2.6114 2.6114 5.6752 5.6752 6.0159 6.0159 7.2913 7.2913 7.4785 7.4785 7.7793 7.7793 7.8163 7.8163 8.4247 8.4247 8.7738 8.7738 9.7871 9.7871 13.0585 13.0585 14.7721 14.7721 14.9207 14.9207 16.3004 16.3004 k = 0.4444 0.4444-0.0000 ( 2676 PWs) bands (ev): -49.8582 -49.8582 -24.2725 -24.2725 -16.8451 -16.8451 -16.6939 -16.6939 -7.3732 -7.3732 -7.2771 -7.2771 -6.5781 -6.5781 -5.8449 -5.8449 -5.5049 -5.5049 -4.7128 -4.7128 -4.6927 -4.6927 -4.5983 -4.5983 2.6177 2.6177 5.7000 5.7000 6.0346 6.0346 7.2911 7.2911 7.4785 7.4785 7.7708 7.7708 7.8235 7.8235 8.4609 8.4609 8.7791 8.7791 9.7723 9.7723 13.0577 13.0577 14.7568 14.7568 14.9317 14.9317 16.2820 16.2820 k = 0.4352 0.4352-0.0000 ( 2682 PWs) bands (ev): -49.8582 -49.8582 -24.2722 -24.2722 -16.8429 -16.8429 -16.6933 -16.6933 -7.3716 -7.3716 -7.2771 -7.2771 -6.5812 -6.5812 -5.8553 -5.8553 -5.5191 -5.5191 -4.7125 -4.7125 -4.6923 -4.6923 -4.6000 -4.6000 2.6251 2.6251 5.7292 5.7292 6.0564 6.0564 7.2909 7.2909 7.4797 7.4797 7.7610 7.7610 7.8320 7.8320 8.5016 8.5016 8.7854 8.7854 9.7551 9.7551 13.0562 13.0562 14.7397 14.7397 14.9452 14.9452 16.2605 16.2605 k = 0.4259 0.4259-0.0000 ( 2682 PWs) bands (ev): -49.8582 -49.8582 -24.2718 -24.2718 -16.8403 -16.8403 -16.6925 -16.6925 -7.3697 -7.3697 -7.2772 -7.2772 -6.5849 -6.5849 -5.8671 -5.8671 -5.5351 -5.5351 -4.7120 -4.7120 -4.6918 -4.6918 -4.6018 -4.6018 2.6337 2.6337 5.7625 5.7625 6.0814 6.0814 7.2910 7.2910 7.4824 7.4824 7.7501 7.7501 7.8418 7.8418 8.5460 8.5460 8.7928 8.7928 9.7356 9.7356 13.0539 13.0539 14.7216 14.7216 14.9611 14.9611 16.2362 16.2362 k = 0.4167 0.4167-0.0000 ( 2676 PWs) bands (ev): -49.8582 -49.8582 -24.2713 -24.2713 -16.8373 -16.8373 -16.6916 -16.6916 -7.3677 -7.3677 -7.2772 -7.2772 -6.5891 -6.5891 -5.8804 -5.8804 -5.5529 -5.5529 -4.7116 -4.7116 -4.6914 -4.6914 -4.6038 -4.6038 2.6435 2.6435 5.7997 5.7997 6.1095 6.1095 7.2916 7.2916 7.4868 7.4868 7.7382 7.7382 7.8529 7.8529 8.5932 8.5932 8.8012 8.8012 9.7139 9.7139 13.0506 13.0506 14.7033 14.7033 14.9791 14.9791 16.2090 16.2090 k = 0.4074 0.4074-0.0000 ( 2690 PWs) bands (ev): -49.8583 -49.8583 -24.2710 -24.2710 -16.8342 -16.8342 -16.6907 -16.6907 -7.3655 -7.3655 -7.2773 -7.2773 -6.5939 -6.5939 -5.8950 -5.8950 -5.5723 -5.5723 -4.7111 -4.7111 -4.6909 -4.6909 -4.6060 -4.6060 2.6544 2.6544 5.8407 5.8407 6.1406 6.1406 7.2928 7.2928 7.4930 7.4930 7.7256 7.7256 7.8652 7.8652 8.6421 8.6421 8.8110 8.8110 9.6903 9.6903 13.0462 13.0462 14.6858 14.6858 14.9988 14.9988 16.1793 16.1793 k = 0.3981 0.3981-0.0000 ( 2686 PWs) bands (ev): -49.8583 -49.8583 -24.2705 -24.2705 -16.8307 -16.8307 -16.6896 -16.6896 -7.3632 -7.3632 -7.2774 -7.2774 -6.5993 -6.5993 -5.9108 -5.9108 -5.5932 -5.5932 -4.7107 -4.7107 -4.6904 -4.6904 -4.6083 -4.6083 2.6665 2.6665 5.8853 5.8853 6.1745 6.1745 7.2951 7.2951 7.5007 7.5007 7.7124 7.7124 7.8787 7.8787 8.6914 8.6914 8.8227 8.8227 9.6649 9.6649 13.0407 13.0407 14.6698 14.6698 15.0200 15.0200 16.1471 16.1471 k = 0.3889 0.3889-0.0000 ( 2686 PWs) bands (ev): -49.8583 -49.8583 -24.2699 -24.2699 -16.8269 -16.8269 -16.6885 -16.6885 -7.3607 -7.3607 -7.2774 -7.2774 -6.6053 -6.6053 -5.9278 -5.9278 -5.6154 -5.6154 -4.7102 -4.7102 -4.6898 -4.6898 -4.6107 -4.6107 2.6797 2.6797 5.9331 5.9331 6.2113 6.2113 7.2985 7.2985 7.5100 7.5100 7.6990 7.6990 7.8934 7.8934 8.7390 8.7390 8.8379 8.8379 9.6378 9.6378 13.0340 13.0340 14.6561 14.6561 15.0422 15.0422 16.1126 16.1126 k = 0.3796 0.3796-0.0000 ( 2676 PWs) bands (ev): -49.8583 -49.8583 -24.2692 -24.2692 -16.8227 -16.8227 -16.6872 -16.6872 -7.3581 -7.3581 -7.2776 -7.2776 -6.6120 -6.6120 -5.9459 -5.9459 -5.6389 -5.6389 -4.7097 -4.7097 -4.6893 -4.6893 -4.6131 -4.6131 2.6941 2.6941 5.9839 5.9839 6.2507 6.2507 7.3035 7.3035 7.5204 7.5204 7.6859 7.6859 7.9094 7.9094 8.7807 8.7807 8.8597 8.8597 9.6092 9.6092 13.0264 13.0264 14.6453 14.6453 15.0650 15.0650 16.0760 16.0760 k = 0.3704 0.3704-0.0000 ( 2674 PWs) bands (ev): -49.8584 -49.8584 -24.2686 -24.2686 -16.8183 -16.8183 -16.6859 -16.6859 -7.3555 -7.3555 -7.2777 -7.2777 -6.6194 -6.6194 -5.9650 -5.9650 -5.6634 -5.6634 -4.7091 -4.7091 -4.6888 -4.6888 -4.6157 -4.6157 2.7097 2.7097 6.0373 6.0373 6.2928 6.2928 7.3101 7.3101 7.5314 7.5314 7.6737 7.6737 7.9264 7.9264 8.8117 8.8117 8.8924 8.8924 9.5794 9.5794 13.0182 13.0182 14.6379 14.6379 15.0879 15.0879 16.0374 16.0374 k = 0.3611 0.3611-0.0000 ( 2682 PWs) bands (ev): -49.8584 -49.8584 -24.2680 -24.2680 -16.8138 -16.8138 -16.6845 -16.6845 -7.3528 -7.3528 -7.2778 -7.2778 -6.6275 -6.6275 -5.9849 -5.9849 -5.6888 -5.6888 -4.7086 -4.7086 -4.6882 -4.6882 -4.6182 -4.6182 2.7264 2.7264 6.0928 6.0928 6.3374 6.3374 7.3185 7.3185 7.5420 7.5420 7.6636 7.6636 7.9446 7.9446 8.8329 8.8329 8.9341 8.9341 9.5485 9.5485 13.0098 13.0098 14.6343 14.6343 15.1103 15.1103 15.9968 15.9968 k = 0.3519 0.3519-0.0000 ( 2682 PWs) bands (ev): -49.8584 -49.8584 -24.2673 -24.2673 -16.8089 -16.8089 -16.6830 -16.6830 -7.3501 -7.3501 -7.2780 -7.2780 -6.6363 -6.6363 -6.0056 -6.0056 -5.7149 -5.7149 -4.7081 -4.7081 -4.6877 -4.6877 -4.6207 -4.6207 2.7444 2.7444 6.1498 6.1498 6.3846 6.3846 7.3289 7.3289 7.5505 7.5505 7.6576 7.6576 7.9639 7.9639 8.8494 8.8494 8.9791 8.9791 9.5166 9.5166 13.0018 13.0018 14.6347 14.6347 15.1315 15.1315 15.9542 15.9542 k = 0.3426 0.3426-0.0000 ( 2682 PWs) bands (ev): -49.8585 -49.8585 -24.2665 -24.2665 -16.8038 -16.8038 -16.6815 -16.6815 -7.3473 -7.3473 -7.2782 -7.2782 -6.6460 -6.6460 -6.0268 -6.0268 -5.7417 -5.7417 -4.7076 -4.7076 -4.6871 -4.6871 -4.6232 -4.6232 2.7635 2.7635 6.2078 6.2078 6.4345 6.4345 7.3413 7.3413 7.5546 7.5546 7.6581 7.6581 7.9842 7.9842 8.8640 8.8640 9.0237 9.0237 9.4841 9.4841 12.9949 12.9949 14.6391 14.6391 15.1508 15.1508 15.9096 15.9096 k = 0.3333 0.3333-0.0000 ( 2682 PWs) bands (ev): -49.8585 -49.8585 -24.2658 -24.2658 -16.7985 -16.7985 -16.6799 -16.6799 -7.3446 -7.3446 -7.2784 -7.2784 -6.6566 -6.6566 -6.0485 -6.0485 -5.7689 -5.7689 -4.7071 -4.7071 -4.6866 -4.6866 -4.6257 -4.6257 2.7837 2.7837 6.2660 6.2660 6.4871 6.4871 7.3558 7.3558 7.5529 7.5529 7.6668 7.6668 8.0056 8.0056 8.8781 8.8781 9.0659 9.0659 9.4511 9.4511 12.9900 12.9900 14.6476 14.6476 15.1671 15.1671 15.8628 15.8628 k = 0.3241 0.3241-0.0000 ( 2682 PWs) bands (ev): -49.8586 -49.8586 -24.2650 -24.2650 -16.7930 -16.7930 -16.6782 -16.6782 -7.3420 -7.3420 -7.2787 -7.2787 -6.6682 -6.6682 -6.0704 -6.0704 -5.7964 -5.7964 -4.7066 -4.7066 -4.6860 -4.6860 -4.6280 -4.6280 2.8052 2.8052 6.3235 6.3235 6.5424 6.5424 7.3724 7.3724 7.5466 7.5466 7.6830 7.6830 8.0279 8.0279 8.8919 8.8919 9.1046 9.1046 9.4177 9.4177 12.9877 12.9877 14.6601 14.6601 15.1798 15.1798 15.8137 15.8137 k = 0.3148 0.3148-0.0000 ( 2682 PWs) bands (ev): -49.8586 -49.8586 -24.2642 -24.2642 -16.7873 -16.7873 -16.6765 -16.6765 -7.3394 -7.3394 -7.2791 -7.2791 -6.6807 -6.6807 -6.0925 -6.0925 -5.8241 -5.8241 -4.7061 -4.7061 -4.6855 -4.6855 -4.6303 -4.6303 2.8278 2.8278 6.3795 6.3795 6.6007 6.6007 7.3908 7.3908 7.5378 7.5378 7.7050 7.7050 8.0512 8.0512 8.9059 8.9059 9.1388 9.1388 9.3842 9.3842 12.9891 12.9891 14.6761 14.6761 15.1879 15.1879 15.7623 15.7623 k = 0.3056 0.3056-0.0000 ( 2684 PWs) bands (ev): -49.8586 -49.8586 -24.2633 -24.2633 -16.7815 -16.7815 -16.6747 -16.6747 -7.3369 -7.3369 -7.2794 -7.2794 -6.6943 -6.6943 -6.1144 -6.1144 -5.8520 -5.8520 -4.7055 -4.7055 -4.6849 -4.6849 -4.6325 -4.6325 2.8516 2.8516 6.4333 6.4333 6.6619 6.6619 7.4106 7.4106 7.5287 7.5287 7.7314 7.7314 8.0753 8.0753 8.9200 8.9200 9.1679 9.1679 9.3508 9.3508 12.9949 12.9949 14.6953 14.6953 15.1910 15.1910 15.7086 15.7086 k = 0.2963 0.2963-0.0000 ( 2684 PWs) bands (ev): -49.8587 -49.8587 -24.2625 -24.2625 -16.7754 -16.7754 -16.6729 -16.6729 -7.3345 -7.3345 -7.2799 -7.2799 -6.7089 -6.7089 -6.1362 -6.1362 -5.8798 -5.8798 -4.7050 -4.7050 -4.6844 -4.6844 -4.6345 -4.6345 2.8765 2.8765 6.4841 6.4841 6.7256 6.7256 7.4305 7.4305 7.5216 7.5216 7.7616 7.7616 8.1003 8.1003 8.9343 8.9343 9.1913 9.1913 9.3175 9.3175 13.0059 13.0059 14.7171 14.7171 15.1888 15.1888 15.6527 15.6527 k = 0.2870 0.2870-0.0000 ( 2684 PWs) bands (ev): -49.8587 -49.8587 -24.2616 -24.2616 -16.7693 -16.7693 -16.6711 -16.6711 -7.3323 -7.3323 -7.2804 -7.2804 -6.7247 -6.7247 -6.1575 -6.1575 -5.9074 -5.9074 -4.7044 -4.7044 -4.6838 -4.6838 -4.6365 -4.6365 2.9025 2.9025 6.5315 6.5315 6.7914 6.7914 7.4470 7.4470 7.5208 7.5208 7.7953 7.7953 8.1261 8.1261 8.9489 8.9489 9.2088 9.2088 9.2847 9.2847 13.0226 13.0226 14.7407 14.7407 15.1819 15.1819 15.5949 15.5949 k = 0.2778 0.2778-0.0000 ( 2678 PWs) bands (ev): -49.8587 -49.8587 -24.2606 -24.2606 -16.7630 -16.7630 -16.6691 -16.6691 -7.3301 -7.3301 -7.2810 -7.2810 -6.7417 -6.7417 -6.1782 -6.1782 -5.9349 -5.9349 -4.7038 -4.7038 -4.6832 -4.6832 -4.6383 -4.6383 2.9296 2.9296 6.5751 6.5751 6.8586 6.8586 7.4548 7.4548 7.5319 7.5319 7.8324 7.8324 8.1525 8.1525 8.9638 8.9638 9.2200 9.2200 9.2525 9.2525 13.0456 13.0456 14.7649 14.7649 15.1713 15.1713 15.5355 15.5355 k = 0.2685 0.2685-0.0000 ( 2676 PWs) bands (ev): -49.8588 -49.8588 -24.2597 -24.2597 -16.7567 -16.7567 -16.6672 -16.6672 -7.3282 -7.3282 -7.2816 -7.2816 -6.7597 -6.7597 -6.1981 -6.1981 -5.9621 -5.9621 -4.7032 -4.7032 -4.6826 -4.6826 -4.6400 -4.6400 2.9578 2.9578 6.6148 6.6148 6.9264 6.9264 7.4537 7.4537 7.5557 7.5557 7.8727 7.8727 8.1796 8.1796 8.9789 8.9789 9.2195 9.2195 9.2265 9.2265 13.0751 13.0751 14.7881 14.7881 15.1591 15.1591 15.4748 15.4748 k = 0.2593 0.2593-0.0000 ( 2680 PWs) bands (ev): -49.8588 -49.8588 -24.2589 -24.2589 -16.7503 -16.7503 -16.6653 -16.6653 -7.3264 -7.3264 -7.2824 -7.2824 -6.7789 -6.7789 -6.2172 -6.2172 -5.9889 -5.9889 -4.7025 -4.7025 -4.6821 -4.6821 -4.6416 -4.6416 2.9871 2.9871 6.6505 6.6505 6.9935 6.9935 7.4487 7.4487 7.5876 7.5876 7.9164 7.9164 8.2073 8.2073 8.9942 8.9942 9.1896 9.1896 9.2248 9.2248 13.1111 13.1111 14.8077 14.8077 15.1478 15.1478 15.4130 15.4130 k = 0.2500 0.2500-0.0000 ( 2684 PWs) bands (ev): -49.8589 -49.8589 -24.2580 -24.2580 -16.7439 -16.7439 -16.6634 -16.6634 -7.3247 -7.3247 -7.2832 -7.2832 -6.7991 -6.7991 -6.2354 -6.2354 -6.0153 -6.0153 -4.7018 -4.7018 -4.6814 -4.6814 -4.6430 -4.6430 3.0174 3.0174 6.6820 6.6820 7.0590 7.0590 7.4427 7.4427 7.6251 7.6251 7.9633 7.9633 8.2355 8.2355 9.0097 9.0097 9.1598 9.1598 9.2184 9.2184 13.1536 13.1536 14.8207 14.8207 15.1412 15.1412 15.3505 15.3505 k = 0.2407 0.2407-0.0000 ( 2682 PWs) bands (ev): -49.8589 -49.8589 -24.2571 -24.2571 -16.7374 -16.7374 -16.6615 -16.6615 -7.3232 -7.3232 -7.2841 -7.2841 -6.8204 -6.8204 -6.2525 -6.2525 -6.0411 -6.0411 -4.7010 -4.7010 -4.6808 -4.6808 -4.6444 -4.6444 3.0486 3.0486 6.7094 6.7094 7.1215 7.1215 7.4373 7.4373 7.6672 7.6672 8.0134 8.0134 8.2642 8.2642 9.0253 9.0253 9.1310 9.1310 9.2072 9.2072 13.2023 13.2023 14.8236 14.8236 15.1423 15.1423 15.2875 15.2875 k = 0.2315 0.2315-0.0000 ( 2686 PWs) bands (ev): -49.8590 -49.8590 -24.2562 -24.2562 -16.7309 -16.7309 -16.6595 -16.6595 -7.3219 -7.3219 -7.2852 -7.2852 -6.8425 -6.8425 -6.2685 -6.2685 -6.0665 -6.0665 -4.7001 -4.7001 -4.6801 -4.6801 -4.6456 -4.6456 3.0807 3.0807 6.7327 6.7327 7.1797 7.1797 7.4333 7.4333 7.7137 7.7137 8.0664 8.0664 8.2931 8.2931 9.0410 9.0410 9.1033 9.1033 9.1919 9.1919 13.2567 13.2567 14.8149 14.8149 15.1524 15.1524 15.2243 15.2243 k = 0.2222 0.2222-0.0000 ( 2682 PWs) bands (ev): -49.8590 -49.8590 -24.2553 -24.2553 -16.7244 -16.7244 -16.6575 -16.6575 -7.3207 -7.3207 -7.2863 -7.2863 -6.8654 -6.8654 -6.2833 -6.2833 -6.0912 -6.0912 -4.6992 -4.6992 -4.6795 -4.6795 -4.6467 -4.6467 3.1137 3.1137 6.7521 6.7521 7.2321 7.2321 7.4313 7.4313 7.7643 7.7643 8.1222 8.1222 8.3224 8.3224 9.0564 9.0564 9.0769 9.0769 9.1736 9.1736 13.3162 13.3162 14.7955 14.7955 15.1607 15.1607 15.1701 15.1701 k = 0.2130 0.2130-0.0000 ( 2682 PWs) bands (ev): -49.8590 -49.8590 -24.2544 -24.2544 -16.7180 -16.7180 -16.6556 -16.6556 -7.3197 -7.3197 -7.2875 -7.2875 -6.8889 -6.8889 -6.2971 -6.2971 -6.1152 -6.1152 -4.6982 -4.6982 -4.6787 -4.6787 -4.6478 -4.6478 3.1474 3.1474 6.7676 6.7676 7.2769 7.2769 7.4324 7.4324 7.8191 7.8191 8.1805 8.1805 8.3518 8.3518 9.0518 9.0518 9.0711 9.0711 9.1538 9.1538 13.3802 13.3802 14.7677 14.7677 15.0984 15.0984 15.1891 15.1891 k = 0.2037 0.2037-0.0000 ( 2682 PWs) bands (ev): -49.8591 -49.8591 -24.2535 -24.2535 -16.7117 -16.7117 -16.6537 -16.6537 -7.3189 -7.3189 -7.2889 -7.2889 -6.9129 -6.9129 -6.3097 -6.3097 -6.1386 -6.1386 -4.6971 -4.6971 -4.6780 -4.6780 -4.6487 -4.6487 3.1818 3.1818 6.7796 6.7796 7.3125 7.3125 7.4377 7.4377 7.8776 7.8776 8.2408 8.2408 8.3812 8.3812 9.0281 9.0281 9.0825 9.0825 9.1359 9.1359 13.4479 13.4479 14.7341 14.7341 15.0364 15.0364 15.2045 15.2045 k = 0.1944 0.1944-0.0000 ( 2682 PWs) bands (ev): -49.8591 -49.8591 -24.2527 -24.2527 -16.7054 -16.7054 -16.6519 -16.6519 -7.3182 -7.3182 -7.2904 -7.2904 -6.9373 -6.9373 -6.3213 -6.3213 -6.1612 -6.1612 -4.6960 -4.6960 -4.6772 -4.6772 -4.6496 -4.6496 3.2168 3.2168 6.7882 6.7882 7.3373 7.3373 7.4483 7.4483 7.9392 7.9392 8.3026 8.3026 8.4107 8.4107 9.0058 9.0058 9.0831 9.0831 9.1289 9.1289 13.5184 13.5184 14.6967 14.6967 14.9752 14.9752 15.2089 15.2089 k = 0.1852 0.1852-0.0000 ( 2690 PWs) bands (ev): -49.8592 -49.8592 -24.2519 -24.2519 -16.6993 -16.6993 -16.6501 -16.6501 -7.3176 -7.3176 -7.2919 -7.2919 -6.9617 -6.9617 -6.3318 -6.3318 -6.1830 -6.1830 -4.6949 -4.6949 -4.6763 -4.6763 -4.6504 -4.6504 3.2523 3.2523 6.7937 6.7937 7.3524 7.3524 7.4629 7.4629 8.0033 8.0033 8.3653 8.3653 8.4399 8.4399 8.9849 8.9849 9.0696 9.0696 9.1370 9.1370 13.5907 13.5907 14.6569 14.6569 14.9152 14.9152 15.1968 15.1968 k = 0.1759 0.1759-0.0000 ( 2690 PWs) bands (ev): -49.8592 -49.8592 -24.2511 -24.2511 -16.6933 -16.6933 -16.6482 -16.6482 -7.3172 -7.3172 -7.2936 -7.2936 -6.9861 -6.9861 -6.3414 -6.3414 -6.2040 -6.2040 -4.6937 -4.6937 -4.6754 -4.6754 -4.6512 -4.6512 3.2881 3.2881 6.7965 6.7965 7.3605 7.3605 7.4787 7.4787 8.0689 8.0689 8.4283 8.4283 8.4690 8.4690 8.9656 8.9656 9.0523 9.0523 9.1513 9.1513 13.6641 13.6641 14.6158 14.6158 14.8567 14.8567 15.1664 15.1664 k = 0.1667 0.1667-0.0000 ( 2690 PWs) bands (ev): -49.8593 -49.8593 -24.2503 -24.2503 -16.6874 -16.6874 -16.6465 -16.6465 -7.3169 -7.3169 -7.2953 -7.2953 -7.0103 -7.0103 -6.3501 -6.3501 -6.2241 -6.2241 -4.6926 -4.6926 -4.6744 -4.6744 -4.6518 -4.6518 3.3241 3.3241 6.7969 6.7969 7.3648 7.3648 7.4925 7.4925 8.1353 8.1353 8.4904 8.4904 8.4979 8.4979 8.9477 8.9477 9.0367 9.0367 9.1674 9.1674 13.7374 13.7374 14.5743 14.5743 14.8000 14.8000 15.1209 15.1209 k = 0.1574 0.1574-0.0000 ( 2690 PWs) bands (ev): -49.8593 -49.8593 -24.2495 -24.2495 -16.6817 -16.6817 -16.6448 -16.6448 -7.3166 -7.3166 -7.2971 -7.2971 -7.0342 -7.0342 -6.3579 -6.3579 -6.2433 -6.2433 -4.6915 -4.6915 -4.6734 -4.6734 -4.6524 -4.6524 3.3602 3.3602 6.7951 6.7951 7.3669 7.3669 7.5028 7.5028 8.2016 8.2016 8.5256 8.5256 8.5516 8.5516 8.9313 8.9313 9.0253 9.0253 9.1842 9.1842 13.8095 13.8095 14.5327 14.5327 14.7456 14.7456 15.0650 15.0650 k = 0.1481 0.1481-0.0000 ( 2682 PWs) bands (ev): -49.8593 -49.8593 -24.2487 -24.2487 -16.6761 -16.6761 -16.6431 -16.6431 -7.3165 -7.3165 -7.2989 -7.2989 -7.0574 -7.0574 -6.3650 -6.3650 -6.2616 -6.2616 -4.6903 -4.6903 -4.6723 -4.6723 -4.6530 -4.6530 3.3962 3.3962 6.7914 6.7914 7.3677 7.3677 7.5088 7.5088 8.2669 8.2669 8.5532 8.5532 8.6094 8.6094 8.9164 8.9164 9.0196 9.0196 9.2013 9.2013 13.8794 13.8794 14.4917 14.4917 14.6939 14.6939 15.0033 15.0033 k = 0.1389 0.1389-0.0000 ( 2686 PWs) bands (ev): -49.8594 -49.8594 -24.2480 -24.2480 -16.6709 -16.6709 -16.6415 -16.6415 -7.3165 -7.3165 -7.3008 -7.3008 -7.0800 -7.0800 -6.3713 -6.3713 -6.2789 -6.2789 -4.6893 -4.6893 -4.6711 -4.6711 -4.6535 -4.6535 3.4319 3.4319 6.7861 6.7861 7.3679 7.3679 7.5102 7.5102 8.3305 8.3305 8.5800 8.5800 8.6629 8.6629 8.9030 8.9030 9.0212 9.0212 9.2187 9.2187 13.9455 13.9455 14.4517 14.4517 14.6458 14.6458 14.9391 14.9391 k = 0.1296 0.1296-0.0000 ( 2678 PWs) bands (ev): -49.8594 -49.8594 -24.2472 -24.2472 -16.6657 -16.6657 -16.6399 -16.6399 -7.3165 -7.3165 -7.3027 -7.3027 -7.1018 -7.1018 -6.3770 -6.3770 -6.2953 -6.2953 -4.6883 -4.6883 -4.6699 -4.6699 -4.6540 -4.6540 3.4671 3.4671 6.7795 6.7795 7.3676 7.3676 7.5073 7.5073 8.3918 8.3918 8.6058 8.6058 8.7103 8.7103 8.8914 8.8914 9.0314 9.0314 9.2361 9.2361 14.0061 14.0061 14.4130 14.4130 14.6023 14.6023 14.8747 14.8747 k = 0.1204 0.1204-0.0000 ( 2676 PWs) bands (ev): -49.8594 -49.8594 -24.2465 -24.2465 -16.6609 -16.6609 -16.6385 -16.6385 -7.3166 -7.3166 -7.3046 -7.3046 -7.1226 -7.1226 -6.3820 -6.3820 -6.3106 -6.3106 -4.6874 -4.6874 -4.6686 -4.6686 -4.6545 -4.6545 3.5016 3.5016 6.7717 6.7717 7.3669 7.3669 7.5005 7.5005 8.4500 8.4500 8.6307 8.6307 8.7503 8.7503 8.8818 8.8818 9.0506 9.0506 9.2535 9.2535 14.0589 14.0589 14.3759 14.3759 14.5653 14.5653 14.8119 14.8119 k = 0.1111 0.1111-0.0000 ( 2680 PWs) bands (ev): -49.8594 -49.8594 -24.2460 -24.2460 -16.6564 -16.6564 -16.6372 -16.6372 -7.3168 -7.3168 -7.3064 -7.3064 -7.1423 -7.1423 -6.3865 -6.3865 -6.3249 -6.3249 -4.6865 -4.6865 -4.6673 -4.6673 -4.6549 -4.6549 3.5351 3.5351 6.7631 6.7631 7.3660 7.3660 7.4903 7.4903 8.5046 8.5046 8.6544 8.6544 8.7820 8.7820 8.8750 8.8750 9.0783 9.0783 9.2708 9.2708 14.1011 14.1011 14.3404 14.3404 14.5371 14.5371 14.7522 14.7522 k = 0.1019 0.1019-0.0000 ( 2676 PWs) bands (ev): -49.8595 -49.8595 -24.2454 -24.2454 -16.6522 -16.6522 -16.6358 -16.6358 -7.3170 -7.3170 -7.3082 -7.3082 -7.1608 -7.1608 -6.3905 -6.3905 -6.3381 -6.3381 -4.6857 -4.6857 -4.6660 -4.6660 -4.6552 -4.6552 3.5675 3.5675 6.7537 6.7537 7.3649 7.3649 7.4776 7.4776 8.5551 8.5551 8.6768 8.6768 8.8048 8.8048 8.8724 8.8724 9.1128 9.1128 9.2880 9.2880 14.1295 14.1295 14.3062 14.3062 14.5207 14.5207 14.6967 14.6967 k = 0.0926 0.0926-0.0000 ( 2681 PWs) bands (ev): -49.8595 -49.8595 -24.2449 -24.2449 -16.6483 -16.6483 -16.6347 -16.6347 -7.3172 -7.3172 -7.3100 -7.3100 -7.1780 -7.1780 -6.3939 -6.3939 -6.3502 -6.3502 -4.6851 -4.6851 -4.6647 -4.6647 -4.6556 -4.6556 3.5983 3.5983 6.7439 6.7439 7.3637 7.3637 7.4629 7.4629 8.6011 8.6011 8.6978 8.6978 8.8176 8.8176 8.8769 8.8769 9.1513 9.1513 9.3048 9.3048 14.1428 14.1428 14.2730 14.2730 14.5169 14.5169 14.6474 14.6474 k = 0.0833 0.0833-0.0000 ( 2677 PWs) bands (ev): -49.8595 -49.8595 -24.2444 -24.2444 -16.6447 -16.6447 -16.6336 -16.6336 -7.3175 -7.3175 -7.3116 -7.3116 -7.1938 -7.1938 -6.3970 -6.3970 -6.3613 -6.3613 -4.6845 -4.6845 -4.6635 -4.6635 -4.6559 -4.6559 3.6274 3.6274 6.7339 6.7339 7.3624 7.3624 7.4472 7.4472 8.6422 8.6422 8.7173 8.7173 8.8215 8.8215 8.8884 8.8884 9.1915 9.1915 9.3211 9.3211 14.1428 14.1428 14.2401 14.2401 14.5206 14.5206 14.6084 14.6084 k = 0.0741 0.0741-0.0000 ( 2687 PWs) bands (ev): -49.8595 -49.8595 -24.2440 -24.2440 -16.6415 -16.6415 -16.6327 -16.6327 -7.3178 -7.3178 -7.3132 -7.3132 -7.2081 -7.2081 -6.3996 -6.3996 -6.3712 -6.3712 -4.6839 -4.6839 -4.6623 -4.6623 -4.6561 -4.6561 3.6545 3.6545 6.7238 6.7238 7.3611 7.3611 7.4312 7.4312 8.6783 8.6783 8.7351 8.7351 8.8207 8.8207 8.9039 8.9039 9.2313 9.2313 9.3368 9.3368 14.1340 14.1340 14.2077 14.2077 14.5156 14.5156 14.5920 14.5920 k = 0.0648 0.0648-0.0000 ( 2685 PWs) bands (ev): -49.8596 -49.8596 -24.2436 -24.2436 -16.6385 -16.6385 -16.6318 -16.6318 -7.3181 -7.3181 -7.3146 -7.3146 -7.2209 -7.2209 -6.4019 -6.4019 -6.3800 -6.3800 -4.6835 -4.6835 -4.6612 -4.6612 -4.6563 -4.6563 3.6792 3.6792 6.7141 6.7141 7.3598 7.3598 7.4155 7.4155 8.7093 8.7093 8.7511 8.7511 8.8183 8.8183 8.9203 8.9203 9.2691 9.2691 9.3515 9.3515 14.1206 14.1206 14.1763 14.1763 14.4929 14.4929 14.6030 14.6030 k = 0.0556 0.0556-0.0000 ( 2679 PWs) bands (ev): -49.8596 -49.8596 -24.2432 -24.2432 -16.6360 -16.6360 -16.6310 -16.6310 -7.3185 -7.3185 -7.3159 -7.3159 -7.2321 -7.2321 -6.4038 -6.4038 -6.3876 -6.3876 -4.6831 -4.6831 -4.6601 -4.6601 -4.6565 -4.6565 3.7014 3.7014 6.7049 6.7049 7.3587 7.3587 7.4008 7.4008 8.7354 8.7354 8.7652 8.7652 8.8157 8.8157 8.9364 8.9364 9.3037 9.3037 9.3652 9.3652 14.1057 14.1057 14.1469 14.1469 14.4656 14.4656 14.6245 14.6245 k = 0.0463 0.0463-0.0000 ( 2685 PWs) bands (ev): -49.8596 -49.8596 -24.2430 -24.2430 -16.6339 -16.6339 -16.6304 -16.6304 -7.3188 -7.3188 -7.3170 -7.3170 -7.2415 -7.2415 -6.4054 -6.4054 -6.3941 -6.3941 -4.6828 -4.6828 -4.6592 -4.6592 -4.6567 -4.6567 3.7206 3.7206 6.6965 6.6965 7.3576 7.3576 7.3876 7.3876 8.7567 8.7567 8.7774 8.7774 8.8135 8.8135 8.9513 8.9513 9.3342 9.3342 9.3774 9.3774 14.0913 14.0913 14.1203 14.1203 14.4407 14.4407 14.6472 14.6472 k = 0.0370 0.0370-0.0000 ( 2689 PWs) bands (ev): -49.8596 -49.8596 -24.2428 -24.2428 -16.6321 -16.6321 -16.6299 -16.6299 -7.3191 -7.3191 -7.3180 -7.3180 -7.2493 -7.2493 -6.4067 -6.4067 -6.3994 -6.3994 -4.6825 -4.6825 -4.6585 -4.6585 -4.6568 -4.6568 3.7368 3.7368 6.6892 6.6892 7.3566 7.3566 7.3762 7.3762 8.7734 8.7734 8.7872 8.7872 8.8120 8.8120 8.9643 8.9643 9.3600 9.3600 9.3878 9.3878 14.0785 14.0786 14.0973 14.0973 14.4199 14.4199 14.6679 14.6679 k = 0.0278 0.0278-0.0000 ( 2691 PWs) bands (ev): -49.8596 -49.8596 -24.2426 -24.2426 -16.6307 -16.6307 -16.6295 -16.6295 -7.3193 -7.3193 -7.3187 -7.3187 -7.2554 -7.2554 -6.4076 -6.4076 -6.4035 -6.4035 -4.6823 -4.6823 -4.6579 -4.6579 -4.6569 -4.6569 3.7496 3.7496 6.6832 6.6832 7.3559 7.3559 7.3670 7.3670 8.7857 8.7857 8.7944 8.7944 8.8118 8.8118 8.9749 8.9749 9.3806 9.3806 9.3963 9.3963 14.0681 14.0681 14.0788 14.0788 14.4035 14.4035 14.6851 14.6851 k = 0.0185 0.0185-0.0000 ( 2703 PWs) bands (ev): -49.8596 -49.8596 -24.2426 -24.2426 -16.6298 -16.6298 -16.6293 -16.6293 -7.3195 -7.3195 -7.3193 -7.3193 -7.2597 -7.2597 -6.4083 -6.4083 -6.4065 -6.4065 -4.6822 -4.6822 -4.6574 -4.6574 -4.6570 -4.6570 3.7589 3.7589 6.6788 6.6788 7.3553 7.3553 7.3603 7.3603 8.7940 8.7940 8.7984 8.7984 8.8132 8.8132 8.9827 8.9827 9.3956 9.3956 9.4026 9.4026 14.0603 14.0603 14.0651 14.0651 14.3918 14.3918 14.6978 14.6978 k = 0.0093 0.0093-0.0000 ( 2721 PWs) bands (ev): -49.8597 -49.8597 -24.2427 -24.2427 -16.6294 -16.6294 -16.6292 -16.6292 -7.3197 -7.3197 -7.3196 -7.3196 -7.2623 -7.2623 -6.4087 -6.4087 -6.4083 -6.4083 -4.6821 -4.6821 -4.6572 -4.6572 -4.6571 -4.6571 3.7645 3.7645 6.6761 6.6761 7.3550 7.3550 7.3562 7.3562 8.7987 8.7987 8.7999 8.7999 8.8151 8.8151 8.9875 8.9875 9.4046 9.4046 9.4064 9.4064 14.0556 14.0556 14.0568 14.0568 14.3848 14.3848 14.7056 14.7056 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -49.8597 -49.8597 -24.2427 -24.2427 -16.6292 -16.6292 -16.6292 -16.6292 -7.3197 -7.3197 -7.3197 -7.3197 -7.2631 -7.2631 -6.4089 -6.4089 -6.4089 -6.4089 -4.6820 -4.6820 -4.6571 -4.6571 -4.6571 -4.6571 3.7664 3.7664 6.6751 6.6751 7.3549 7.3549 7.3549 7.3549 8.8002 8.8002 8.8002 8.8002 8.8159 8.8159 8.9892 8.9892 9.4077 9.4077 9.4077 9.4077 14.0540 14.0540 14.0540 14.0540 14.3825 14.3825 14.7082 14.7082 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -49.8597 -49.8597 -24.2427 -24.2427 -16.6292 -16.6292 -16.6292 -16.6292 -7.3197 -7.3197 -7.3197 -7.3197 -7.2631 -7.2631 -6.4089 -6.4089 -6.4089 -6.4089 -4.6820 -4.6820 -4.6571 -4.6571 -4.6571 -4.6571 3.7664 3.7664 6.6751 6.6751 7.3549 7.3549 7.3549 7.3549 8.8002 8.8002 8.8002 8.8002 8.8159 8.8159 8.9892 8.9892 9.4077 9.4077 9.4077 9.4077 14.0540 14.0540 14.0540 14.0540 14.3825 14.3825 14.7082 14.7082 k = 0.0076 0.0076 0.0076 ( 2721 PWs) bands (ev): -49.8597 -49.8597 -24.2427 -24.2427 -16.6293 -16.6293 -16.6293 -16.6293 -7.3197 -7.3197 -7.3196 -7.3196 -7.2623 -7.2623 -6.4087 -6.4087 -6.4083 -6.4083 -4.6821 -4.6821 -4.6572 -4.6572 -4.6571 -4.6571 3.7645 3.7645 6.6761 6.6761 7.3549 7.3549 7.3563 7.3563 8.7986 8.7986 8.7999 8.7999 8.8151 8.8151 8.9875 8.9875 9.4054 9.4054 9.4056 9.4056 14.0557 14.0557 14.0567 14.0567 14.3848 14.3848 14.7055 14.7055 k = 0.0152 0.0152 0.0152 ( 2703 PWs) bands (ev): -49.8596 -49.8596 -24.2426 -24.2426 -16.6296 -16.6296 -16.6295 -16.6295 -7.3196 -7.3196 -7.3193 -7.3193 -7.2597 -7.2597 -6.4081 -6.4081 -6.4067 -6.4067 -4.6822 -4.6822 -4.6574 -4.6574 -4.6571 -4.6571 3.7588 3.7588 6.6788 6.6788 7.3552 7.3552 7.3605 7.3605 8.7938 8.7938 8.7982 8.7982 8.8134 8.8134 8.9827 8.9827 9.3986 9.3986 9.3994 9.3994 14.0610 14.0610 14.0646 14.0646 14.3918 14.3918 14.6977 14.6977 k = 0.0227 0.0227 0.0227 ( 2691 PWs) bands (ev): -49.8596 -49.8596 -24.2426 -24.2426 -16.6302 -16.6302 -16.6301 -16.6301 -7.3193 -7.3193 -7.3187 -7.3187 -7.2553 -7.2553 -6.4071 -6.4071 -6.4041 -6.4041 -4.6823 -4.6823 -4.6578 -4.6578 -4.6570 -4.6570 3.7495 3.7495 6.6833 6.6833 7.3555 7.3555 7.3675 7.3675 8.7859 8.7859 8.7926 8.7926 8.8132 8.8132 8.9750 8.9750 9.3873 9.3873 9.3892 9.3892 14.0694 14.0694 14.0778 14.0778 14.4035 14.4035 14.6850 14.6850 k = 0.0303 0.0303 0.0303 ( 2686 PWs) bands (ev): -49.8596 -49.8596 -24.2428 -24.2428 -16.6310 -16.6310 -16.6310 -16.6310 -7.3191 -7.3191 -7.3180 -7.3180 -7.2492 -7.2492 -6.4057 -6.4057 -6.4003 -6.4003 -4.6825 -4.6825 -4.6584 -4.6584 -4.6569 -4.6569 3.7367 3.7367 6.6892 6.6892 7.3559 7.3559 7.3772 7.3772 8.7750 8.7750 8.7822 8.7822 8.8153 8.8153 8.9645 8.9645 9.3717 9.3717 9.3750 9.3750 14.0805 14.0805 14.0962 14.0962 14.4196 14.4196 14.6679 14.6679 k = 0.0379 0.0379 0.0379 ( 2692 PWs) bands (ev): -49.8596 -49.8596 -24.2431 -24.2431 -16.6323 -16.6323 -16.6321 -16.6321 -7.3187 -7.3187 -7.3171 -7.3171 -7.2413 -7.2413 -6.4039 -6.4039 -6.3955 -6.3955 -4.6828 -4.6828 -4.6591 -4.6591 -4.6568 -4.6568 3.7205 3.7205 6.6965 6.6965 7.3561 7.3561 7.3895 7.3895 8.7610 8.7610 8.7674 8.7674 8.8192 8.8192 8.9518 8.9518 9.3520 9.3520 9.3570 9.3570 14.0937 14.0937 14.1196 14.1196 14.4401 14.4401 14.6473 14.6473 k = 0.0455 0.0455 0.0455 ( 2686 PWs) bands (ev): -49.8596 -49.8596 -24.2433 -24.2433 -16.6337 -16.6337 -16.6335 -16.6335 -7.3183 -7.3183 -7.3162 -7.3162 -7.2316 -7.2316 -6.4017 -6.4017 -6.3897 -6.3897 -4.6831 -4.6831 -4.6600 -4.6600 -4.6567 -4.6567 3.7011 3.7011 6.7047 6.7047 7.3562 7.3562 7.4041 7.4041 8.7442 8.7442 8.7483 8.7483 8.8243 8.8243 8.9373 8.9373 9.3285 9.3285 9.3354 9.3354 14.1078 14.1078 14.1479 14.1479 14.4648 14.4648 14.6243 14.6243 k = 0.0530 0.0530 0.0530 ( 2683 PWs) bands (ev): -49.8595 -49.8595 -24.2436 -24.2436 -16.6354 -16.6354 -16.6351 -16.6351 -7.3178 -7.3178 -7.3151 -7.3151 -7.2201 -7.2201 -6.3990 -6.3990 -6.3828 -6.3828 -4.6835 -4.6835 -4.6610 -4.6610 -4.6565 -4.6565 3.6790 3.6790 6.7137 6.7137 7.3559 7.3559 7.4210 7.4210 8.7247 8.7247 8.7250 8.7250 8.8306 8.8306 8.9217 8.9217 9.3015 9.3015 9.3105 9.3105 14.1211 14.1211 14.1809 14.1809 14.4933 14.4933 14.6009 14.6009 k = 0.0606 0.0606 0.0606 ( 2677 PWs) bands (ev): -49.8595 -49.8595 -24.2439 -24.2439 -16.6373 -16.6373 -16.6369 -16.6369 -7.3172 -7.3172 -7.3140 -7.3140 -7.2069 -7.2069 -6.3960 -6.3960 -6.3749 -6.3749 -4.6839 -4.6839 -4.6621 -4.6621 -4.6563 -4.6563 3.6542 3.6542 6.7230 6.7230 7.3550 7.3550 7.4397 7.4397 8.6975 8.6975 8.7026 8.7026 8.8379 8.8379 8.9054 8.9054 9.2713 9.2713 9.2825 9.2825 14.1311 14.1311 14.2184 14.2184 14.5241 14.5241 14.5810 14.5810 k = 0.0682 0.0682 0.0682 ( 2677 PWs) bands (ev): -49.8595 -49.8595 -24.2444 -24.2444 -16.6395 -16.6395 -16.6390 -16.6390 -7.3166 -7.3166 -7.3129 -7.3129 -7.1919 -7.1919 -6.3925 -6.3925 -6.3660 -6.3660 -4.6844 -4.6844 -4.6633 -4.6633 -4.6559 -4.6559 3.6271 3.6271 6.7322 6.7322 7.3533 7.3533 7.4600 7.4600 8.6657 8.6657 8.6780 8.6780 8.8462 8.8462 8.8889 8.8889 9.2384 9.2384 9.2519 9.2519 14.1343 14.1343 14.2602 14.2602 14.5467 14.5467 14.5783 14.5783 k = 0.0758 0.0758 0.0758 ( 2674 PWs) bands (ev): -49.8595 -49.8595 -24.2449 -24.2449 -16.6419 -16.6419 -16.6414 -16.6414 -7.3159 -7.3159 -7.3117 -7.3117 -7.1753 -7.1753 -6.3885 -6.3885 -6.3560 -6.3560 -4.6850 -4.6850 -4.6647 -4.6647 -4.6555 -4.6555 3.5981 3.5981 6.7411 6.7411 7.3505 7.3505 7.4813 7.4813 8.6298 8.6298 8.6511 8.6511 8.8552 8.8552 8.8729 8.8729 9.2034 9.2034 9.2189 9.2189 14.1269 14.1269 14.3061 14.3061 14.5474 14.5474 14.6101 14.6101 k = 0.0833 0.0833 0.0833 ( 2674 PWs) bands (ev): -49.8595 -49.8595 -24.2454 -24.2454 -16.6446 -16.6446 -16.6439 -16.6439 -7.3153 -7.3153 -7.3105 -7.3105 -7.1571 -7.1571 -6.3841 -6.3841 -6.3451 -6.3451 -4.6856 -4.6856 -4.6661 -4.6661 -4.6551 -4.6551 3.5675 3.5675 6.7493 6.7493 7.3464 7.3464 7.5031 7.5031 8.5901 8.5901 8.6219 8.6219 8.8558 8.8558 8.8667 8.8667 9.1667 9.1667 9.1841 9.1841 14.1059 14.1059 14.3559 14.3559 14.5530 14.5530 14.6522 14.6522 k = 0.0909 0.0909 0.0909 ( 2683 PWs) bands (ev): -49.8594 -49.8594 -24.2461 -24.2461 -16.6476 -16.6476 -16.6467 -16.6467 -7.3146 -7.3146 -7.3092 -7.3092 -7.1372 -7.1372 -6.3793 -6.3793 -6.3332 -6.3332 -4.6862 -4.6862 -4.6676 -4.6676 -4.6545 -4.6545 3.5355 3.5355 6.7565 6.7565 7.3406 7.3406 7.5248 7.5248 8.5469 8.5469 8.5904 8.5904 8.8414 8.8414 8.8773 8.8773 9.1292 9.1292 9.1480 9.1480 14.0707 14.0707 14.4093 14.4093 14.5700 14.5700 14.6982 14.6982 k = 0.0985 0.0985 0.0985 ( 2677 PWs) bands (ev): -49.8594 -49.8594 -24.2466 -24.2466 -16.6506 -16.6506 -16.6497 -16.6497 -7.3138 -7.3138 -7.3080 -7.3080 -7.1158 -7.1158 -6.3739 -6.3739 -6.3203 -6.3203 -4.6869 -4.6869 -4.6692 -4.6692 -4.6538 -4.6538 3.5025 3.5025 6.7622 6.7622 7.3329 7.3329 7.5454 7.5454 8.5006 8.5006 8.5566 8.5566 8.8276 8.8276 8.8893 8.8893 9.0915 9.0915 9.1112 9.1112 14.0226 14.0226 14.4660 14.4660 14.5976 14.5976 14.7472 14.7472 k = 0.1061 0.1061 0.1061 ( 2683 PWs) bands (ev): -49.8594 -49.8594 -24.2474 -24.2474 -16.6540 -16.6540 -16.6529 -16.6529 -7.3131 -7.3131 -7.3068 -7.3068 -7.0930 -7.0930 -6.3681 -6.3681 -6.3065 -6.3065 -4.6876 -4.6876 -4.6708 -4.6708 -4.6530 -4.6530 3.4687 3.4687 6.7663 6.7663 7.3229 7.3229 7.5642 7.5642 8.4515 8.4515 8.5204 8.5204 8.8149 8.8149 8.9022 8.9022 9.0545 9.0545 9.0743 9.0743 13.9640 13.9640 14.5259 14.5259 14.6334 14.6334 14.7986 14.7986 k = 0.1136 0.1136 0.1136 ( 2683 PWs) bands (ev): -49.8593 -49.8593 -24.2481 -24.2481 -16.6575 -16.6575 -16.6563 -16.6563 -7.3124 -7.3124 -7.3056 -7.3056 -7.0687 -7.0687 -6.3617 -6.3617 -6.2918 -6.2918 -4.6882 -4.6882 -4.6725 -4.6725 -4.6522 -4.6522 3.4345 3.4345 6.7685 6.7685 7.3103 7.3103 7.5800 7.5800 8.4003 8.4003 8.4816 8.4816 8.8037 8.8037 8.9160 8.9160 9.0190 9.0190 9.0382 9.0382 13.8969 13.8969 14.5887 14.5887 14.6749 14.6749 14.8520 14.8520 k = 0.1212 0.1212 0.1212 ( 2689 PWs) bands (ev): -49.8593 -49.8593 -24.2489 -24.2489 -16.6612 -16.6612 -16.6600 -16.6600 -7.3116 -7.3116 -7.3044 -7.3044 -7.0431 -7.0431 -6.3549 -6.3549 -6.2762 -6.2762 -4.6889 -4.6889 -4.6741 -4.6741 -4.6512 -4.6512 3.4002 3.4002 6.7684 6.7684 7.2948 7.2948 7.5919 7.5919 8.3471 8.3471 8.4400 8.4400 8.7943 8.7943 8.9306 8.9306 8.9859 8.9859 9.0035 9.0035 13.8231 13.8231 14.6543 14.6543 14.7201 14.7201 14.9072 14.9072 k = 0.1288 0.1288 0.1288 ( 2683 PWs) bands (ev): -49.8593 -49.8593 -24.2496 -24.2496 -16.6650 -16.6650 -16.6637 -16.6637 -7.3109 -7.3109 -7.3033 -7.3033 -7.0163 -7.0163 -6.3475 -6.3475 -6.2597 -6.2597 -4.6895 -4.6895 -4.6758 -4.6758 -4.6501 -4.6501 3.3659 3.3659 6.7659 6.7659 7.2763 7.2763 7.5986 7.5986 8.2925 8.2925 8.3953 8.3953 8.7867 8.7867 8.9459 8.9459 8.9561 8.9561 8.9713 8.9713 13.7438 13.7438 14.7223 14.7223 14.7667 14.7667 14.9638 14.9638 k = 0.1364 0.1364 0.1364 ( 2689 PWs) bands (ev): -49.8592 -49.8592 -24.2505 -24.2505 -16.6691 -16.6691 -16.6676 -16.6676 -7.3102 -7.3102 -7.3022 -7.3022 -6.9882 -6.9882 -6.3396 -6.3396 -6.2424 -6.2424 -4.6900 -4.6900 -4.6774 -4.6774 -4.6489 -4.6489 3.3320 3.3320 6.7608 6.7608 7.2544 7.2544 7.5991 7.5991 8.2366 8.2366 8.3475 8.3475 8.7812 8.7812 8.9302 8.9302 8.9419 8.9419 8.9624 8.9624 13.6603 13.6603 14.7925 14.7925 14.8128 14.8128 15.0217 15.0217 k = 0.1439 0.1439 0.1439 ( 2683 PWs) bands (ev): -49.8592 -49.8592 -24.2513 -24.2513 -16.6732 -16.6732 -16.6716 -16.6716 -7.3096 -7.3096 -7.3013 -7.3013 -6.9591 -6.9591 -6.3311 -6.3311 -6.2244 -6.2244 -4.6904 -4.6904 -4.6790 -4.6790 -4.6476 -4.6476 3.2987 3.2987 6.7528 6.7528 7.2291 7.2291 7.5925 7.5925 8.1796 8.1796 8.2964 8.2964 8.7781 8.7781 8.9090 8.9090 8.9166 8.9166 8.9792 8.9792 13.5735 13.5735 14.8560 14.8560 14.8649 14.8649 15.0811 15.0811 k = 0.1515 0.1515 0.1515 ( 2683 PWs) bands (ev): -49.8592 -49.8592 -24.2522 -24.2522 -16.6776 -16.6776 -16.6759 -16.6759 -7.3089 -7.3089 -7.3004 -7.3004 -6.9289 -6.9289 -6.3220 -6.3220 -6.2056 -6.2056 -4.6908 -4.6908 -4.6804 -4.6804 -4.6462 -4.6462 3.2662 3.2662 6.7419 6.7419 7.2004 7.2004 7.5782 7.5782 8.1218 8.1218 8.2420 8.2420 8.7772 8.7772 8.8926 8.8926 8.8954 8.8954 8.9969 8.9969 13.4845 13.4845 14.8939 14.8939 14.9391 14.9391 15.1422 15.1422 k = 0.1591 0.1591 0.1591 ( 2683 PWs) bands (ev): -49.8591 -49.8591 -24.2531 -24.2531 -16.6820 -16.6820 -16.6803 -16.6803 -7.3083 -7.3083 -7.2995 -7.2995 -6.8978 -6.8978 -6.3124 -6.3124 -6.1861 -6.1861 -4.6910 -4.6910 -4.6818 -4.6818 -4.6447 -4.6447 3.2347 3.2347 6.7279 6.7279 7.1682 7.1682 7.5560 7.5560 8.0629 8.0629 8.1846 8.1846 8.7788 8.7788 8.8786 8.8786 8.8813 8.8813 9.0152 9.0152 13.3942 13.3942 14.9241 14.9241 15.0149 15.0149 15.2055 15.2055 k = 0.1667 0.1667 0.1667 ( 2683 PWs) bands (ev): -49.8591 -49.8591 -24.2541 -24.2541 -16.6866 -16.6866 -16.6848 -16.6848 -7.3077 -7.3077 -7.2988 -7.2988 -6.8660 -6.8660 -6.3021 -6.3021 -6.1659 -6.1659 -4.6910 -4.6910 -4.6831 -4.6831 -4.6431 -4.6431 3.2043 3.2043 6.7109 6.7109 7.1326 7.1326 7.5260 7.5260 8.0028 8.0028 8.1242 8.1242 8.7826 8.7826 8.8661 8.8661 8.8751 8.8751 9.0342 9.0342 13.3038 13.3038 14.9452 14.9452 15.0923 15.0923 15.2713 15.2713 k = 0.1742 0.1742 0.1742 ( 2683 PWs) bands (ev): -49.8590 -49.8590 -24.2551 -24.2551 -16.6912 -16.6912 -16.6894 -16.6894 -7.3072 -7.3072 -7.2982 -7.2982 -6.8334 -6.8334 -6.2913 -6.2913 -6.1452 -6.1452 -4.6908 -4.6908 -4.6843 -4.6843 -4.6414 -4.6414 3.1754 3.1754 6.6906 6.6906 7.0938 7.0938 7.4888 7.4888 7.9415 7.9415 8.0613 8.0613 8.7884 8.7884 8.8577 8.8577 8.8738 8.8738 9.0538 9.0538 13.2143 13.2143 14.9568 14.9568 15.1710 15.1710 15.3398 15.3398 k = 0.1818 0.1818 0.1818 ( 2683 PWs) bands (ev): -49.8590 -49.8590 -24.2561 -24.2561 -16.6960 -16.6960 -16.6941 -16.6941 -7.3067 -7.3067 -7.2976 -7.2976 -6.8002 -6.8002 -6.2797 -6.2797 -6.1238 -6.1238 -4.6905 -4.6905 -4.6853 -4.6853 -4.6396 -4.6396 3.1480 3.1480 6.6672 6.6672 7.0520 7.0520 7.4451 7.4451 7.8787 7.8787 7.9962 7.9962 8.7952 8.7952 8.8529 8.8529 8.8771 8.8771 9.0740 9.0740 13.1270 13.1270 14.9597 14.9597 15.2508 15.2508 15.4110 15.4110 k = 0.1894 0.1894 0.1894 ( 2683 PWs) bands (ev): -49.8589 -49.8589 -24.2571 -24.2571 -16.7009 -16.7009 -16.6989 -16.6989 -7.3063 -7.3063 -7.2972 -7.2972 -6.7666 -6.7666 -6.2675 -6.2675 -6.1020 -6.1020 -4.6899 -4.6899 -4.6861 -4.6861 -4.6377 -4.6377 3.1223 3.1223 6.6408 6.6408 7.0074 7.0074 7.3960 7.3960 7.8144 7.8144 7.9292 7.9292 8.8014 8.8014 8.8522 8.8522 8.8846 8.8846 9.0947 9.0947 13.0432 13.0432 14.9556 14.9556 15.3316 15.3316 15.4845 15.4845 k = 0.1970 0.1970 0.1970 ( 2689 PWs) bands (ev): -49.8589 -49.8589 -24.2582 -24.2582 -16.7058 -16.7058 -16.7038 -16.7038 -7.3059 -7.3059 -7.2969 -7.2969 -6.7327 -6.7327 -6.2546 -6.2546 -6.0798 -6.0798 -4.6891 -4.6891 -4.6867 -4.6867 -4.6357 -4.6357 3.0985 3.0985 6.6114 6.6114 6.9603 6.9603 7.3423 7.3423 7.7486 7.7486 7.8607 7.8607 8.8038 8.8038 8.8571 8.8571 8.8961 8.8961 9.1160 9.1160 12.9640 12.9640 14.9464 14.9464 15.4132 15.4132 15.5600 15.5600 k = 0.2045 0.2045 0.2045 ( 2695 PWs) bands (ev): -49.8588 -49.8588 -24.2593 -24.2593 -16.7108 -16.7108 -16.7089 -16.7089 -7.3056 -7.3056 -7.2967 -7.2967 -6.6987 -6.6987 -6.2410 -6.2410 -6.0571 -6.0571 -4.6880 -4.6880 -4.6871 -4.6871 -4.6335 -4.6335 3.0766 3.0766 6.5791 6.5791 6.9109 6.9109 7.2849 7.2849 7.6814 7.6814 7.7910 7.7910 8.8000 8.8000 8.8684 8.8684 8.9112 8.9112 9.1376 9.1376 12.8909 12.8909 14.9342 14.9342 15.4953 15.4953 15.6372 15.6372 k = 0.2121 0.2121 0.2121 ( 2695 PWs) bands (ev): -49.8588 -49.8588 -24.2604 -24.2604 -16.7158 -16.7158 -16.7139 -16.7139 -7.3053 -7.3053 -7.2965 -7.2965 -6.6646 -6.6646 -6.2265 -6.2265 -6.0342 -6.0342 -4.6873 -4.6873 -4.6867 -4.6867 -4.6313 -4.6313 3.0569 3.0569 6.5441 6.5441 6.8597 6.8597 7.2246 7.2246 7.6130 7.6130 7.7204 7.7204 8.7895 8.7895 8.8849 8.8849 8.9294 8.9294 9.1597 9.1597 12.8250 12.8250 14.9205 14.9205 15.5777 15.5777 15.7157 15.7157 k = 0.2197 0.2197 0.2197 ( 2695 PWs) bands (ev): -49.8587 -49.8587 -24.2614 -24.2614 -16.7209 -16.7209 -16.7190 -16.7190 -7.3050 -7.3050 -7.2965 -7.2965 -6.6308 -6.6308 -6.2111 -6.2111 -6.0109 -6.0109 -4.6872 -4.6872 -4.6850 -4.6850 -4.6289 -4.6289 3.0393 3.0393 6.5066 6.5066 6.8067 6.8067 7.1622 7.1622 7.5437 7.5437 7.6493 7.6493 8.7720 8.7720 8.9053 8.9053 8.9504 8.9504 9.1822 9.1822 12.7676 12.7676 14.9066 14.9066 15.6600 15.6600 15.7952 15.7952 k = 0.2273 0.2273 0.2273 ( 2692 PWs) bands (ev): -49.8587 -49.8587 -24.2625 -24.2625 -16.7260 -16.7260 -16.7241 -16.7241 -7.3048 -7.3048 -7.2966 -7.2966 -6.5973 -6.5973 -6.1948 -6.1948 -5.9875 -5.9875 -4.6868 -4.6868 -4.6831 -4.6831 -4.6265 -4.6265 3.0241 3.0241 6.4668 6.4668 6.7524 6.7524 7.0981 7.0981 7.4736 7.4736 7.5778 7.5778 8.7470 8.7470 8.9286 8.9286 8.9738 8.9738 9.2049 9.2049 12.7198 12.7198 14.8936 14.8936 15.7406 15.7406 15.8631 15.8631 k = 0.2348 0.2348 0.2348 ( 2692 PWs) bands (ev): -49.8586 -49.8586 -24.2636 -24.2636 -16.7311 -16.7311 -16.7292 -16.7292 -7.3047 -7.3047 -7.2967 -7.2967 -6.5644 -6.5644 -6.1775 -6.1775 -5.9639 -5.9639 -4.6861 -4.6861 -4.6808 -4.6808 -4.6239 -4.6239 3.0113 3.0113 6.4248 6.4248 6.6969 6.6969 7.0328 7.0328 7.4032 7.4032 7.5063 7.5063 8.7139 8.7139 8.9542 8.9542 8.9994 8.9994 9.2280 9.2280 12.6825 12.6825 14.8821 14.8821 15.8064 15.8064 15.8623 15.8623 k = 0.2424 0.2424 0.2424 ( 2692 PWs) bands (ev): -49.8586 -49.8586 -24.2647 -24.2647 -16.7362 -16.7362 -16.7343 -16.7343 -7.3046 -7.3046 -7.2969 -7.2969 -6.5324 -6.5324 -6.1590 -6.1590 -5.9403 -5.9403 -4.6851 -4.6851 -4.6782 -4.6782 -4.6212 -4.6212 3.0010 3.0010 6.3809 6.3809 6.6406 6.6406 6.9667 6.9667 7.3326 7.3326 7.4349 7.4349 8.6721 8.6721 8.9818 8.9818 9.0269 9.0269 9.2513 9.2513 12.6563 12.6563 14.8728 14.8728 15.8137 15.8137 15.9226 15.9226 k = 0.2500 0.2500 0.2500 ( 2698 PWs) bands (ev): -49.8585 -49.8585 -24.2658 -24.2658 -16.7414 -16.7414 -16.7394 -16.7394 -7.3045 -7.3045 -7.2972 -7.2972 -6.5013 -6.5013 -6.1395 -6.1395 -5.9167 -5.9167 -4.6838 -4.6838 -4.6753 -4.6753 -4.6184 -4.6184 2.9933 2.9933 6.3353 6.3353 6.5837 6.5837 6.9001 6.9001 7.2622 7.2622 7.3638 7.3638 8.6210 8.6210 9.0110 9.0110 9.0558 9.0558 9.2747 9.2747 12.6417 12.6417 14.8660 14.8660 15.8040 15.8040 16.0027 16.0027 k = 0.2576 0.2576 0.2576 ( 2692 PWs) bands (ev): -49.8585 -49.8585 -24.2669 -24.2669 -16.7464 -16.7464 -16.7445 -16.7445 -7.3045 -7.3045 -7.2976 -7.2976 -6.4714 -6.4714 -6.1186 -6.1186 -5.8931 -5.8931 -4.6821 -4.6821 -4.6721 -4.6721 -4.6155 -4.6155 2.9883 2.9883 6.2883 6.2883 6.5263 6.5263 6.8333 6.8333 7.1922 7.1922 7.2932 7.2932 8.5606 8.5606 9.0417 9.0417 9.0861 9.0861 9.2983 9.2983 12.6387 12.6387 14.8621 14.8621 15.7946 15.7946 16.0848 16.0848 k = 0.2652 0.2652 0.2652 ( 2695 PWs) bands (ev): -49.8584 -49.8584 -24.2680 -24.2680 -16.7515 -16.7515 -16.7496 -16.7496 -7.3045 -7.3045 -7.2980 -7.2980 -6.4428 -6.4428 -6.0965 -6.0965 -5.8697 -5.8697 -4.6801 -4.6801 -4.6685 -4.6685 -4.6124 -4.6124 2.9860 2.9860 6.2401 6.2401 6.4688 6.4688 6.7665 6.7665 7.1230 7.1230 7.2233 7.2233 8.4909 8.4909 9.0736 9.0736 9.1173 9.1173 9.3219 9.3219 12.6473 12.6473 14.8613 14.8613 15.7872 15.7872 16.1672 16.1672 k = 0.2727 0.2727 0.2727 ( 2695 PWs) bands (ev): -49.8584 -49.8584 -24.2691 -24.2691 -16.7565 -16.7565 -16.7547 -16.7547 -7.3045 -7.3045 -7.2985 -7.2985 -6.4158 -6.4158 -6.0731 -6.0731 -5.8465 -5.8465 -4.6778 -4.6778 -4.6646 -4.6646 -4.6093 -4.6093 2.9865 2.9865 6.1908 6.1908 6.4114 6.4114 6.6998 6.6998 7.0548 7.0548 7.1543 7.1543 8.4122 8.4122 9.1064 9.1064 9.1494 9.1494 9.3456 9.3456 12.6671 12.6671 14.8638 14.8638 15.7823 15.7823 16.2493 16.2493 k = 0.2803 0.2803 0.2803 ( 2692 PWs) bands (ev): -49.8583 -49.8583 -24.2701 -24.2701 -16.7614 -16.7614 -16.7597 -16.7597 -7.3045 -7.3045 -7.2990 -7.2990 -6.3903 -6.3903 -6.0484 -6.0484 -5.8236 -5.8236 -4.6750 -4.6750 -4.6604 -4.6604 -4.6060 -4.6060 2.9899 2.9899 6.1408 6.1408 6.3541 6.3541 6.6333 6.6333 6.9879 6.9879 7.0863 7.0863 8.3251 8.3251 9.1399 9.1399 9.1821 9.1821 9.3692 9.3692 12.6974 12.6974 14.8699 14.8699 15.7799 15.7799 16.3309 16.3309 k = 0.2879 0.2879 0.2879 ( 2683 PWs) bands (ev): -49.8582 -49.8582 -24.2711 -24.2711 -16.7663 -16.7663 -16.7646 -16.7646 -7.3046 -7.3046 -7.2995 -7.2995 -6.3665 -6.3665 -6.0225 -6.0225 -5.8010 -5.8010 -4.6719 -4.6719 -4.6560 -4.6560 -4.6026 -4.6026 2.9961 2.9961 6.0903 6.0903 6.2973 6.2973 6.5673 6.5673 6.9223 6.9223 7.0195 7.0195 8.2302 8.2302 9.1740 9.1740 9.2151 9.2151 9.3927 9.3927 12.7376 12.7376 14.8795 14.8795 15.7799 15.7799 16.4118 16.4118 k = 0.2955 0.2955 0.2955 ( 2686 PWs) bands (ev): -49.8582 -49.8582 -24.2722 -24.2722 -16.7711 -16.7711 -16.7696 -16.7696 -7.3048 -7.3048 -7.3000 -7.3000 -6.3443 -6.3443 -5.9956 -5.9956 -5.7788 -5.7788 -4.6685 -4.6685 -4.6512 -4.6512 -4.5990 -4.5990 3.0054 3.0054 6.0395 6.0395 6.2410 6.2410 6.5018 6.5018 6.8585 6.8585 6.9539 6.9539 8.1282 8.1282 9.2084 9.2084 9.2484 9.2484 9.4161 9.4161 12.7866 12.7866 14.8930 14.8930 15.7825 15.7825 16.4918 16.4918 k = 0.3030 0.3030 0.3030 ( 2686 PWs) bands (ev): -49.8582 -49.8582 -24.2732 -24.2732 -16.7758 -16.7758 -16.7744 -16.7744 -7.3049 -7.3049 -7.3006 -7.3006 -6.3237 -6.3237 -5.9677 -5.9677 -5.7571 -5.7571 -4.6646 -4.6646 -4.6462 -4.6462 -4.5954 -4.5954 3.0176 3.0176 5.9886 5.9886 6.1854 6.1854 6.4369 6.4369 6.7964 6.7964 6.8897 6.8897 8.0201 8.0201 9.2429 9.2429 9.2817 9.2817 9.4393 9.4393 12.8437 12.8437 14.9103 14.9103 15.7874 15.7874 16.5708 16.5708 k = 0.3106 0.3106 0.3106 ( 2686 PWs) bands (ev): -49.8581 -49.8581 -24.2743 -24.2743 -16.7805 -16.7805 -16.7791 -16.7791 -7.3050 -7.3050 -7.3012 -7.3012 -6.3047 -6.3047 -5.9392 -5.9392 -5.7359 -5.7359 -4.6604 -4.6604 -4.6410 -4.6410 -4.5916 -4.5916 3.0328 3.0328 5.9379 5.9379 6.1307 6.1307 6.3727 6.3727 6.7363 6.7363 6.8270 6.8270 7.9066 7.9066 9.2775 9.2775 9.3149 9.3149 9.4622 9.4622 12.9076 12.9076 14.9317 14.9317 15.7947 15.7947 16.6486 16.6486 k = 0.3182 0.3182 0.3182 ( 2692 PWs) bands (ev): -49.8581 -49.8581 -24.2753 -24.2753 -16.7851 -16.7851 -16.7837 -16.7837 -7.3052 -7.3052 -7.3017 -7.3017 -6.2871 -6.2871 -5.9102 -5.9102 -5.7153 -5.7153 -4.6559 -4.6559 -4.6357 -4.6357 -4.5877 -4.5877 3.0511 3.0511 5.8876 5.8876 6.0770 6.0770 6.3094 6.3094 6.6782 6.6782 6.7660 6.7660 7.7885 7.7885 9.3118 9.3118 9.3479 9.3479 9.4848 9.4848 12.9774 12.9774 14.9572 14.9572 15.8043 15.8043 16.7252 16.7252 k = 0.3258 0.3258 0.3258 ( 2680 PWs) bands (ev): -49.8580 -49.8580 -24.2762 -24.2762 -16.7895 -16.7895 -16.7882 -16.7882 -7.3054 -7.3054 -7.3023 -7.3023 -6.2708 -6.2708 -5.8808 -5.8808 -5.6953 -5.6953 -4.6510 -4.6510 -4.6301 -4.6301 -4.5836 -4.5836 3.0725 3.0725 5.8378 5.8378 6.0245 6.0245 6.2471 6.2471 6.6224 6.6224 6.7067 6.7067 7.6667 7.6667 9.3457 9.3457 9.3804 9.3804 9.5071 9.5071 13.0520 13.0520 14.9869 14.9869 15.8160 15.8160 16.8004 16.8004 k = 0.3333 0.3333 0.3333 ( 2674 PWs) bands (ev): -49.8579 -49.8579 -24.2771 -24.2771 -16.7937 -16.7937 -16.7925 -16.7925 -7.3056 -7.3056 -7.3029 -7.3029 -6.2558 -6.2558 -5.8515 -5.8515 -5.6760 -5.6760 -4.6459 -4.6459 -4.6245 -4.6245 -4.5794 -4.5794 3.0969 3.0969 5.7888 5.7888 5.9733 5.9733 6.1860 6.1860 6.5687 6.5687 6.6493 6.6493 7.5419 7.5419 9.3792 9.3792 9.4124 9.4124 9.5289 9.5289 13.1304 13.1304 15.0211 15.0211 15.8297 15.8297 16.8741 16.8741 k = 0.3409 0.3409 0.3409 ( 2674 PWs) bands (ev): -49.8579 -49.8579 -24.2780 -24.2780 -16.7979 -16.7979 -16.7968 -16.7968 -7.3058 -7.3058 -7.3034 -7.3034 -6.2419 -6.2419 -5.8222 -5.8222 -5.6575 -5.6575 -4.6404 -4.6404 -4.6188 -4.6188 -4.5750 -4.5750 3.1244 3.1244 5.7407 5.7407 5.9235 5.9235 6.1262 6.1262 6.5173 6.5173 6.5938 6.5938 7.4148 7.4148 9.4120 9.4120 9.4437 9.4437 9.5502 9.5502 13.2115 13.2115 15.0597 15.0597 15.8452 15.8452 16.9461 16.9461 k = 0.3485 0.3485 0.3485 ( 2668 PWs) bands (ev): -49.8578 -49.8578 -24.2789 -24.2789 -16.8019 -16.8019 -16.8009 -16.8009 -7.3060 -7.3060 -7.3039 -7.3039 -6.2291 -6.2291 -5.7933 -5.7933 -5.6397 -5.6397 -4.6348 -4.6348 -4.6131 -4.6131 -4.5705 -4.5705 3.1549 3.1549 5.6937 5.6937 5.8751 5.8751 6.0679 6.0679 6.4682 6.4682 6.5403 6.5403 7.2861 7.2861 9.4440 9.4440 9.4742 9.4742 9.5710 9.5710 13.2943 13.2943 15.1029 15.1029 15.8625 15.8625 17.0163 17.0163 k = 0.3561 0.3561 0.3561 ( 2662 PWs) bands (ev): -49.8578 -49.8578 -24.2797 -24.2797 -16.8058 -16.8058 -16.8049 -16.8049 -7.3062 -7.3062 -7.3044 -7.3044 -6.2172 -6.2172 -5.7649 -5.7649 -5.6227 -5.6227 -4.6289 -4.6289 -4.6074 -4.6074 -4.5659 -4.5659 3.1884 3.1884 5.6480 5.6480 5.8284 5.8284 6.0111 6.0111 6.4214 6.4214 6.4889 6.4889 7.1564 7.1564 9.4752 9.4752 9.5038 9.5038 9.5912 9.5912 13.3778 13.3778 15.1507 15.1507 15.8814 15.8814 17.0847 17.0847 k = 0.3636 0.3636 0.3636 ( 2668 PWs) bands (ev): -49.8578 -49.8578 -24.2806 -24.2806 -16.8096 -16.8096 -16.8088 -16.8088 -7.3064 -7.3064 -7.3049 -7.3049 -6.2063 -6.2063 -5.7371 -5.7371 -5.6065 -5.6065 -4.6228 -4.6228 -4.6018 -4.6018 -4.5612 -4.5612 3.2250 3.2250 5.6037 5.6037 5.7835 5.7835 5.9562 5.9562 6.3770 6.3770 6.4397 6.4397 7.0263 7.0263 9.5053 9.5053 9.5325 9.5325 9.6108 9.6108 13.4610 13.4610 15.2030 15.2030 15.9016 15.9016 17.1510 17.1510 k = 0.3712 0.3712 0.3712 ( 2668 PWs) bands (ev): -49.8577 -49.8577 -24.2814 -24.2814 -16.8132 -16.8132 -16.8124 -16.8124 -7.3066 -7.3066 -7.3054 -7.3054 -6.1961 -6.1961 -5.7102 -5.7102 -5.5912 -5.5912 -4.6167 -4.6167 -4.5964 -4.5964 -4.5563 -4.5563 3.2644 3.2644 5.5609 5.5609 5.7404 5.7404 5.9032 5.9032 6.3348 6.3348 6.3928 6.3928 6.8963 6.8963 9.5342 9.5342 9.5600 9.5600 9.6297 9.6297 13.5431 13.5431 15.2599 15.2599 15.9230 15.9230 17.2152 17.2152 k = 0.3788 0.3788 0.3788 ( 2671 PWs) bands (ev): -49.8577 -49.8577 -24.2822 -24.2822 -16.8167 -16.8167 -16.8159 -16.8159 -7.3068 -7.3068 -7.3058 -7.3058 -6.1868 -6.1868 -5.6843 -5.6843 -5.5768 -5.5768 -4.6104 -4.6104 -4.5911 -4.5911 -4.5514 -4.5514 3.3068 3.3068 5.5198 5.5198 5.6992 5.6992 5.8523 5.8523 6.2949 6.2949 6.3481 6.3481 6.7670 6.7670 9.5620 9.5620 9.5864 9.5864 9.6478 9.6478 13.6232 13.6232 15.3212 15.3212 15.9453 15.9453 17.2772 17.2772 k = 0.3864 0.3864 0.3864 ( 2671 PWs) bands (ev): -49.8577 -49.8577 -24.2829 -24.2829 -16.8199 -16.8199 -16.8193 -16.8193 -7.3071 -7.3071 -7.3062 -7.3062 -6.1781 -6.1781 -5.6594 -5.6594 -5.5633 -5.5633 -4.6042 -4.6042 -4.5860 -4.5860 -4.5464 -4.5464 3.3519 3.3519 5.4804 5.4804 5.6600 5.6600 5.8036 5.8036 6.2573 6.2573 6.3059 6.3059 6.6390 6.6390 9.5884 9.5884 9.6116 9.6116 9.6651 9.6651 13.7005 13.7005 15.3864 15.3864 15.9683 15.9683 17.3349 17.3349 k = 0.3939 0.3939 0.3939 ( 2662 PWs) bands (ev): -49.8576 -49.8576 -24.2835 -24.2835 -16.8229 -16.8229 -16.8224 -16.8224 -7.3072 -7.3072 -7.3065 -7.3065 -6.1702 -6.1702 -5.6357 -5.6357 -5.5506 -5.5506 -4.5979 -4.5979 -4.5811 -4.5811 -4.5414 -4.5414 3.3996 3.3996 5.4428 5.4428 5.6229 5.6229 5.7574 5.7574 6.2217 6.2217 6.2661 6.2661 6.5128 6.5128 9.6134 9.6134 9.6354 9.6354 9.6816 9.6816 13.7745 13.7745 15.4552 15.4552 15.9918 15.9918 17.3824 17.3824 k = 0.4015 0.4015 0.4015 ( 2668 PWs) bands (ev): -49.8576 -49.8576 -24.2842 -24.2842 -16.8259 -16.8259 -16.8254 -16.8254 -7.3074 -7.3074 -7.3069 -7.3069 -6.1629 -6.1629 -5.6134 -5.6134 -5.5389 -5.5389 -4.5918 -4.5918 -4.5764 -4.5764 -4.5364 -4.5364 3.4498 3.4498 5.4072 5.4072 5.5880 5.5880 5.7137 5.7137 6.1877 6.1877 6.2288 6.2288 6.3895 6.3895 9.6370 9.6370 9.6579 9.6579 9.6972 9.6972 13.8446 13.8446 15.5269 15.5269 16.0155 16.0155 17.4281 17.4281 k = 0.4091 0.4091 0.4091 ( 2656 PWs) bands (ev): -49.8575 -49.8575 -24.2847 -24.2847 -16.8285 -16.8285 -16.8281 -16.8281 -7.3076 -7.3076 -7.3072 -7.3072 -6.1563 -6.1563 -5.5923 -5.5923 -5.5280 -5.5280 -4.5859 -4.5859 -4.5721 -4.5721 -4.5315 -4.5315 3.5023 3.5023 5.3735 5.3735 5.5554 5.5554 5.6727 5.6727 6.1538 6.1538 6.1941 6.1941 6.2713 6.2713 9.6589 9.6589 9.6789 9.6789 9.7119 9.7119 13.9103 13.9103 15.6008 15.6008 16.0390 16.0390 17.4723 17.4723 k = 0.4167 0.4167 0.4167 ( 2662 PWs) bands (ev): -49.8575 -49.8575 -24.2853 -24.2853 -16.8310 -16.8310 -16.8307 -16.8307 -7.3078 -7.3078 -7.3074 -7.3074 -6.1503 -6.1503 -5.5728 -5.5728 -5.5181 -5.5181 -4.5801 -4.5801 -4.5680 -4.5680 -4.5267 -4.5267 3.5567 3.5567 5.3417 5.3417 5.5251 5.5251 5.6344 5.6344 6.1081 6.1081 6.1620 6.1620 6.1704 6.1704 9.6793 9.6793 9.6984 9.6984 9.7257 9.7257 13.9713 13.9713 15.6758 15.6758 16.0622 16.0622 17.5152 17.5152 k = 0.4242 0.4242 0.4242 ( 2665 PWs) bands (ev): -49.8575 -49.8575 -24.2859 -24.2859 -16.8334 -16.8334 -16.8331 -16.8331 -7.3080 -7.3080 -7.3077 -7.3077 -6.1448 -6.1448 -5.5547 -5.5547 -5.5090 -5.5090 -4.5746 -4.5746 -4.5642 -4.5642 -4.5222 -4.5222 3.6128 3.6128 5.3119 5.3119 5.4972 5.4972 5.5992 5.5992 6.0181 6.0181 6.1200 6.1200 6.1326 6.1326 9.6980 9.6980 9.7164 9.7164 9.7384 9.7384 14.0273 14.0273 15.7508 15.7508 16.0848 16.0848 17.5567 17.5567 k = 0.4318 0.4318 0.4318 ( 2665 PWs) bands (ev): -49.8575 -49.8575 -24.2863 -24.2863 -16.8355 -16.8355 -16.8352 -16.8352 -7.3081 -7.3081 -7.3079 -7.3079 -6.1399 -6.1399 -5.5383 -5.5383 -5.5009 -5.5009 -4.5695 -4.5695 -4.5607 -4.5607 -4.5178 -4.5178 3.6700 3.6700 5.2840 5.2840 5.4718 5.4718 5.5669 5.5669 5.9127 5.9127 6.0922 6.0922 6.1058 6.1058 9.7150 9.7150 9.7328 9.7328 9.7502 9.7502 14.0781 14.0781 15.8246 15.8246 16.1063 16.1063 17.5970 17.5970 k = 0.4394 0.4394 0.4394 ( 2677 PWs) bands (ev): -49.8575 -49.8575 -24.2869 -24.2869 -16.8375 -16.8375 -16.8372 -16.8372 -7.3082 -7.3082 -7.3081 -7.3081 -6.1356 -6.1356 -5.5234 -5.5234 -5.4936 -5.4936 -4.5647 -4.5647 -4.5576 -4.5576 -4.5138 -4.5138 3.7278 3.7278 5.2578 5.2578 5.4489 5.4489 5.5377 5.5377 5.8098 5.8098 6.0699 6.0699 6.0817 6.0817 9.7301 9.7301 9.7476 9.7476 9.7609 9.7609 14.1238 14.1238 15.8956 15.8956 16.1266 16.1266 17.6360 17.6360 k = 0.4470 0.4470 0.4470 ( 2680 PWs) bands (ev): -49.8574 -49.8574 -24.2873 -24.2873 -16.8392 -16.8392 -16.8389 -16.8389 -7.3084 -7.3084 -7.3083 -7.3083 -6.1318 -6.1318 -5.5102 -5.5102 -5.4872 -5.4872 -4.5604 -4.5604 -4.5548 -4.5548 -4.5101 -4.5101 3.7853 3.7853 5.2330 5.2330 5.4286 5.4286 5.5118 5.5118 5.7129 5.7129 6.0509 6.0509 6.0604 6.0604 9.7435 9.7435 9.7607 9.7607 9.7705 9.7705 14.1641 14.1641 15.9627 15.9627 16.1453 16.1453 17.6733 17.6733 k = 0.4545 0.4545 0.4545 ( 2680 PWs) bands (ev): -49.8574 -49.8574 -24.2876 -24.2876 -16.8406 -16.8406 -16.8404 -16.8404 -7.3085 -7.3085 -7.3084 -7.3084 -6.1285 -6.1285 -5.4987 -5.4987 -5.4817 -5.4817 -4.5565 -4.5565 -4.5523 -4.5523 -4.5069 -4.5069 3.8415 3.8415 5.2095 5.2095 5.4108 5.4108 5.4892 5.4892 5.6241 5.6241 6.0347 6.0347 6.0419 6.0419 9.7550 9.7550 9.7721 9.7721 9.7790 9.7790 14.1991 14.1991 16.0242 16.0242 16.1622 16.1622 17.7086 17.7086 k = 0.4621 0.4621 0.4621 ( 2674 PWs) bands (ev): -49.8574 -49.8574 -24.2878 -24.2878 -16.8419 -16.8419 -16.8416 -16.8416 -7.3086 -7.3086 -7.3085 -7.3085 -6.1258 -6.1258 -5.4889 -5.4889 -5.4771 -5.4771 -4.5531 -4.5531 -4.5502 -4.5502 -4.5040 -4.5040 3.8950 3.8950 5.1867 5.1867 5.3958 5.3958 5.4699 5.4699 5.5456 5.5456 6.0211 6.0211 6.0262 6.0262 9.7646 9.7646 9.7818 9.7818 9.7864 9.7864 14.2287 14.2287 16.0788 16.0788 16.1769 16.1769 17.7410 17.7410 k = 0.4697 0.4697 0.4697 ( 2662 PWs) bands (ev): -49.8574 -49.8574 -24.2879 -24.2879 -16.8428 -16.8428 -16.8425 -16.8425 -7.3086 -7.3086 -7.3086 -7.3086 -6.1235 -6.1235 -5.4809 -5.4809 -5.4733 -5.4733 -4.5503 -4.5503 -4.5484 -4.5484 -4.5016 -4.5016 3.9440 3.9440 5.1647 5.1647 5.3834 5.3834 5.4539 5.4539 5.4794 5.4794 6.0100 6.0100 6.0133 6.0133 9.7724 9.7724 9.7898 9.7898 9.7926 9.7926 14.2529 14.2529 16.1254 16.1254 16.1894 16.1894 17.7698 17.7698 k = 0.4773 0.4773 0.4773 ( 2638 PWs) bands (ev): -49.8574 -49.8574 -24.2879 -24.2879 -16.8434 -16.8434 -16.8432 -16.8432 -7.3087 -7.3087 -7.3087 -7.3087 -6.1218 -6.1218 -5.4746 -5.4746 -5.4703 -5.4703 -4.5481 -4.5481 -4.5471 -4.5471 -4.4998 -4.4998 3.9862 3.9862 5.1439 5.1439 5.3738 5.3738 5.4267 5.4267 5.4421 5.4421 6.0014 6.0014 6.0033 6.0033 9.7784 9.7784 9.7960 9.7960 9.7975 9.7975 14.2717 14.2717 16.1627 16.1627 16.1993 16.1993 17.7938 17.7938 k = 0.4848 0.4848 0.4848 ( 2614 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8438 -16.8438 -16.8437 -16.8437 -7.3087 -7.3087 -7.3087 -7.3087 -6.1205 -6.1205 -5.4701 -5.4701 -5.4682 -5.4682 -4.5466 -4.5466 -4.5461 -4.5461 -4.4984 -4.4984 4.0192 4.0192 5.1258 5.1258 5.3669 5.3669 5.3901 5.3901 5.4330 5.4330 5.9953 5.9953 5.9961 5.9961 9.7827 9.7827 9.8005 9.8005 9.8011 9.8011 14.2852 14.2852 16.1901 16.1901 16.2065 16.2065 17.8119 17.8119 k = 0.4924 0.4924 0.4924 ( 2608 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8440 -16.8440 -16.8440 -16.8440 -7.3088 -7.3088 -7.3088 -7.3088 -6.1198 -6.1198 -5.4674 -5.4674 -5.4669 -5.4669 -4.5456 -4.5456 -4.5455 -4.5455 -4.4976 -4.4976 4.0402 4.0402 5.1131 5.1131 5.3627 5.3627 5.3684 5.3684 5.4276 5.4276 5.9916 5.9916 5.9918 5.9918 9.7852 9.7852 9.8031 9.8031 9.8033 9.8033 14.2933 14.2933 16.2067 16.2067 16.2108 16.2108 17.8232 17.8232 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8442 -16.8442 -16.8442 -16.8442 -7.3088 -7.3088 -7.3088 -7.3088 -6.1196 -6.1196 -5.4665 -5.4665 -5.4665 -5.4665 -4.5453 -4.5453 -4.5453 -4.5453 -4.4973 -4.4973 4.0475 4.0475 5.1086 5.1086 5.3613 5.3613 5.3613 5.3613 5.4258 5.4258 5.9904 5.9904 5.9904 5.9904 9.7860 9.7860 9.8040 9.8040 9.8040 9.8040 14.2960 14.2960 16.2123 16.2123 16.2123 16.2123 17.8271 17.8271 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8442 -16.8442 -16.8442 -16.8442 -7.3088 -7.3088 -7.3088 -7.3088 -6.1196 -6.1196 -5.4665 -5.4665 -5.4665 -5.4665 -4.5453 -4.5453 -4.5453 -4.5453 -4.4973 -4.4973 4.0475 4.0475 5.1086 5.1086 5.3613 5.3613 5.3613 5.3613 5.4258 5.4258 5.9904 5.9904 5.9904 5.9904 9.7860 9.7860 9.8040 9.8040 9.8040 9.8040 14.2960 14.2960 16.2123 16.2123 16.2123 16.2123 17.8271 17.8271 k = 0.4907 0.5000 0.4907 ( 2608 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8441 -16.8441 -16.8440 -16.8440 -7.3088 -7.3088 -7.3087 -7.3087 -6.1198 -6.1198 -5.4675 -5.4675 -5.4668 -5.4668 -4.5456 -4.5456 -4.5455 -4.5455 -4.4976 -4.4976 4.0403 4.0403 5.1131 5.1131 5.3628 5.3628 5.3683 5.3683 5.4276 5.4276 5.9910 5.9910 5.9924 5.9924 9.7852 9.7852 9.8030 9.8030 9.8034 9.8034 14.2933 14.2933 16.2069 16.2069 16.2106 16.2106 17.8229 17.8229 k = 0.4815 0.5000 0.4815 ( 2612 PWs) bands (ev): -49.8573 -49.8573 -24.2877 -24.2877 -16.8440 -16.8440 -16.8435 -16.8435 -7.3088 -7.3088 -7.3086 -7.3086 -6.1205 -6.1205 -5.4707 -5.4707 -5.4676 -5.4676 -4.5465 -4.5465 -4.5461 -4.5461 -4.4984 -4.4984 4.0193 4.0193 5.1258 5.1258 5.3673 5.3673 5.3895 5.3895 5.4329 5.4329 5.9930 5.9930 5.9984 5.9984 9.7826 9.7826 9.8000 9.8000 9.8017 9.8017 14.2853 14.2853 16.1909 16.1909 16.2057 16.2057 17.8106 17.8106 k = 0.4722 0.5000 0.4722 ( 2648 PWs) bands (ev): -49.8574 -49.8574 -24.2880 -24.2880 -16.8439 -16.8439 -16.8429 -16.8429 -7.3089 -7.3089 -7.3085 -7.3085 -6.1218 -6.1218 -5.4759 -5.4759 -5.4690 -5.4690 -4.5481 -4.5481 -4.5471 -4.5471 -4.4997 -4.4997 3.9863 3.9863 5.1441 5.1441 5.3747 5.3747 5.4254 5.4254 5.4417 5.4417 5.9964 5.9964 6.0084 6.0084 9.7780 9.7780 9.7951 9.7951 9.7988 9.7988 14.2719 14.2719 16.1645 16.1645 16.1977 16.1977 17.7908 17.7908 k = 0.4630 0.5000 0.4630 ( 2660 PWs) bands (ev): -49.8574 -49.8574 -24.2879 -24.2879 -16.8436 -16.8436 -16.8417 -16.8417 -7.3090 -7.3090 -7.3083 -7.3083 -6.1236 -6.1236 -5.4831 -5.4831 -5.4709 -5.4709 -4.5502 -4.5502 -4.5485 -4.5485 -4.5016 -4.5016 3.9440 3.9440 5.1655 5.1655 5.3851 5.3851 5.4537 5.4537 5.4760 5.4760 6.0013 6.0013 6.0223 6.0223 9.7712 9.7712 9.7886 9.7886 9.7950 9.7950 14.2532 14.2532 16.1282 16.1282 16.1868 16.1868 17.7642 17.7642 k = 0.4537 0.5000 0.4537 ( 2668 PWs) bands (ev): -49.8574 -49.8574 -24.2878 -24.2878 -16.8432 -16.8432 -16.8402 -16.8402 -7.3091 -7.3091 -7.3080 -7.3080 -6.1258 -6.1258 -5.4923 -5.4923 -5.4733 -5.4733 -4.5530 -4.5530 -4.5503 -4.5503 -4.5040 -4.5040 3.8949 3.8949 5.1883 5.1883 5.3986 5.3986 5.4688 5.4688 5.5403 5.5403 6.0080 6.0080 6.0403 6.0403 9.7618 9.7618 9.7808 9.7808 9.7901 9.7901 14.2294 14.2294 16.0826 16.0826 16.1733 16.1733 17.7318 17.7318 k = 0.4444 0.5000 0.4444 ( 2676 PWs) bands (ev): -49.8574 -49.8574 -24.2876 -24.2876 -16.8427 -16.8427 -16.8383 -16.8383 -7.3092 -7.3092 -7.3077 -7.3077 -6.1287 -6.1287 -5.5035 -5.5035 -5.4762 -5.4762 -4.5563 -4.5563 -4.5524 -4.5524 -4.5068 -4.5068 3.8409 3.8409 5.2119 5.2119 5.4151 5.4151 5.4866 5.4866 5.6165 5.6165 6.0168 6.0168 6.0621 6.0621 9.7498 9.7498 9.7716 9.7716 9.7844 9.7844 14.2005 14.2005 16.0286 16.0286 16.1576 16.1576 17.6943 17.6943 k = 0.4352 0.5000 0.4352 ( 2676 PWs) bands (ev): -49.8574 -49.8574 -24.2873 -24.2873 -16.8421 -16.8421 -16.8361 -16.8361 -7.3094 -7.3094 -7.3073 -7.3073 -6.1321 -6.1321 -5.5166 -5.5166 -5.4796 -5.4796 -4.5601 -4.5601 -4.5548 -4.5548 -4.5101 -4.5101 3.7841 3.7841 5.2364 5.2364 5.4346 5.4346 5.5069 5.5069 5.7026 5.7026 6.0279 6.0279 6.0878 6.0878 9.7352 9.7352 9.7610 9.7610 9.7778 9.7778 14.1666 14.1666 15.9669 15.9669 16.1400 16.1400 17.6525 17.6525 k = 0.4259 0.5000 0.4259 ( 2674 PWs) bands (ev): -49.8575 -49.8575 -24.2869 -24.2869 -16.8413 -16.8413 -16.8334 -16.8334 -7.3096 -7.3096 -7.3069 -7.3069 -6.1360 -6.1360 -5.5316 -5.5316 -5.4835 -5.4835 -4.5644 -4.5644 -4.5575 -4.5575 -4.5138 -4.5138 3.7257 3.7257 5.2620 5.2620 5.4573 5.4573 5.5290 5.5290 5.7964 5.7964 6.0421 6.0421 6.1173 6.1173 9.7182 9.7182 9.7487 9.7487 9.7703 9.7703 14.1280 14.1280 15.8987 15.8987 16.1210 16.1210 17.6067 17.6067 k = 0.4167 0.5000 0.4167 ( 2674 PWs) bands (ev): -49.8575 -49.8575 -24.2865 -24.2865 -16.8405 -16.8405 -16.8305 -16.8305 -7.3098 -7.3098 -7.3064 -7.3064 -6.1406 -6.1406 -5.5484 -5.5484 -5.4878 -5.4878 -4.5692 -4.5692 -4.5605 -4.5605 -4.5179 -4.5179 3.6668 3.6668 5.2889 5.2889 5.4832 5.4832 5.5524 5.5524 5.8959 5.8959 6.0603 6.0603 6.1506 6.1506 9.6990 9.6990 9.7345 9.7345 9.7619 9.7619 14.0850 14.0850 15.8247 15.8247 16.1010 16.1010 17.5575 17.5575 k = 0.4074 0.5000 0.4074 ( 2666 PWs) bands (ev): -49.8575 -49.8575 -24.2859 -24.2859 -16.8395 -16.8395 -16.8272 -16.8272 -7.3100 -7.3100 -7.3059 -7.3059 -6.1459 -6.1459 -5.5670 -5.5670 -5.4925 -5.4925 -4.5745 -4.5745 -4.5637 -4.5637 -4.5223 -4.5223 3.6082 3.6082 5.3172 5.3172 5.5122 5.5122 5.5766 5.5766 5.9974 5.9974 6.0856 6.0856 6.1877 6.1877 9.6777 9.6777 9.7184 9.7184 9.7526 9.7526 14.0378 14.0378 15.7462 15.7462 16.0804 16.0804 17.5050 17.5050 k = 0.3981 0.5000 0.3981 ( 2662 PWs) bands (ev): -49.8575 -49.8575 -24.2854 -24.2854 -16.8385 -16.8385 -16.8236 -16.8236 -7.3102 -7.3102 -7.3053 -7.3053 -6.1519 -6.1519 -5.5871 -5.5871 -5.4977 -5.4977 -4.5801 -4.5801 -4.5671 -4.5671 -4.5270 -4.5270 3.5505 3.5505 5.3471 5.3471 5.5444 5.5444 5.6007 5.6007 6.0800 6.0800 6.1380 6.1380 6.2288 6.2288 9.6546 9.6546 9.7001 9.7001 9.7424 9.7424 13.9869 13.9869 15.6640 15.6640 16.0594 16.0594 17.4494 17.4494 k = 0.3889 0.5000 0.3889 ( 2662 PWs) bands (ev): -49.8575 -49.8575 -24.2848 -24.2848 -16.8373 -16.8373 -16.8198 -16.8198 -7.3105 -7.3105 -7.3047 -7.3047 -6.1586 -6.1586 -5.6088 -5.6088 -5.5032 -5.5032 -4.5860 -4.5860 -4.5707 -4.5707 -4.5320 -4.5320 3.4941 3.4941 5.3785 5.3785 5.5796 5.5796 5.6243 5.6243 6.1227 6.1227 6.2366 6.2366 6.2757 6.2757 9.6298 9.6298 9.6796 9.6796 9.7312 9.7312 13.9328 13.9328 15.5790 15.5790 16.0385 16.0385 17.3908 17.3908 k = 0.3796 0.5000 0.3796 ( 2670 PWs) bands (ev): -49.8576 -49.8576 -24.2843 -24.2843 -16.8362 -16.8362 -16.8157 -16.8157 -7.3107 -7.3107 -7.3041 -7.3041 -6.1661 -6.1661 -5.6320 -5.6320 -5.5090 -5.5090 -4.5922 -4.5922 -4.5744 -4.5744 -4.5372 -4.5372 3.4394 3.4394 5.4114 5.4114 5.6173 5.6173 5.6475 5.6475 6.1603 6.1603 6.3146 6.3146 6.3599 6.3599 9.6034 9.6034 9.6566 9.6566 9.7190 9.7190 13.8758 13.8758 15.4922 15.4922 16.0179 16.0179 17.3292 17.3292 k = 0.3704 0.5000 0.3704 ( 2666 PWs) bands (ev): -49.8576 -49.8576 -24.2837 -24.2837 -16.8349 -16.8349 -16.8113 -16.8113 -7.3110 -7.3110 -7.3034 -7.3034 -6.1744 -6.1744 -5.6564 -5.6564 -5.5151 -5.5151 -4.5986 -4.5986 -4.5782 -4.5782 -4.5425 -4.5425 3.3867 3.3867 5.4458 5.4458 5.6535 5.6535 5.6735 5.6735 6.2016 6.2016 6.3677 6.3677 6.4766 6.4766 9.5757 9.5757 9.6312 9.6312 9.7058 9.7058 13.8167 13.8167 15.4043 15.4043 15.9978 15.9978 17.2649 17.2649 k = 0.3611 0.5000 0.3611 ( 2666 PWs) bands (ev): -49.8576 -49.8576 -24.2830 -24.2830 -16.8336 -16.8336 -16.8067 -16.8067 -7.3113 -7.3113 -7.3028 -7.3028 -6.1835 -6.1835 -5.6821 -5.6821 -5.5215 -5.5215 -4.6052 -4.6052 -4.5821 -4.5821 -4.5480 -4.5480 3.3362 3.3362 5.4817 5.4817 5.6781 5.6781 5.7123 5.7123 6.2479 6.2479 6.4223 6.4223 6.5975 6.5975 9.5467 9.5467 9.6031 9.6031 9.6915 9.6915 13.7559 13.7559 15.3161 15.3161 15.9783 15.9783 17.1978 17.1978 k = 0.3519 0.5000 0.3519 ( 2666 PWs) bands (ev): -49.8577 -49.8577 -24.2823 -24.2823 -16.8322 -16.8322 -16.8018 -16.8018 -7.3115 -7.3115 -7.3021 -7.3021 -6.1936 -6.1936 -5.7087 -5.7087 -5.5282 -5.5282 -4.6120 -4.6120 -4.5861 -4.5861 -4.5535 -4.5535 3.2881 3.2881 5.5190 5.5190 5.6953 5.6953 5.7595 5.7595 6.2994 6.2994 6.4798 6.4798 6.7204 6.7204 9.5166 9.5166 9.5724 9.5724 9.6762 9.6762 13.6941 13.6941 15.2283 15.2283 15.9595 15.9595 17.1279 17.1279 k = 0.3426 0.5000 0.3426 ( 2666 PWs) bands (ev): -49.8577 -49.8577 -24.2816 -24.2816 -16.8307 -16.8307 -16.7967 -16.7967 -7.3118 -7.3118 -7.3014 -7.3014 -6.2047 -6.2047 -5.7363 -5.7363 -5.5350 -5.5350 -4.6187 -4.6187 -4.5902 -4.5902 -4.5591 -4.5591 3.2423 3.2423 5.5577 5.5577 5.7095 5.7095 5.8109 5.8109 6.3559 6.3559 6.5402 6.5402 6.8444 6.8444 9.4856 9.4856 9.5389 9.5389 9.6597 9.6597 13.6318 13.6318 15.1413 15.1413 15.9414 15.9414 17.0553 17.0553 k = 0.3333 0.5000 0.3333 ( 2662 PWs) bands (ev): -49.8577 -49.8577 -24.2808 -24.2808 -16.8292 -16.8292 -16.7913 -16.7913 -7.3121 -7.3121 -7.3007 -7.3007 -6.2167 -6.2167 -5.7645 -5.7645 -5.5420 -5.5420 -4.6255 -4.6255 -4.5944 -4.5944 -4.5647 -4.5647 3.1991 3.1991 5.5974 5.5974 5.7218 5.7218 5.8656 5.8656 6.4171 6.4171 6.6035 6.6035 6.9690 6.9690 9.4538 9.4538 9.5026 9.5026 9.6422 9.6422 13.5696 13.5696 15.0559 15.0559 15.9241 15.9241 16.9800 16.9800 k = 0.3241 0.5000 0.3241 ( 2658 PWs) bands (ev): -49.8578 -49.8578 -24.2800 -24.2800 -16.8276 -16.8276 -16.7857 -16.7857 -7.3123 -7.3123 -7.3000 -7.3000 -6.2299 -6.2299 -5.7934 -5.7934 -5.5492 -5.5492 -4.6322 -4.6322 -4.5986 -4.5986 -4.5701 -4.5701 3.1586 3.1586 5.6377 5.6377 5.7329 5.7329 5.9233 5.9233 6.4824 6.4824 6.6698 6.6698 7.0938 7.0938 9.4213 9.4213 9.4637 9.4637 9.6235 9.6235 13.5081 13.5081 14.9726 14.9726 15.9074 15.9074 16.9021 16.9021 k = 0.3148 0.5000 0.3148 ( 2666 PWs) bands (ev): -49.8578 -49.8578 -24.2793 -24.2793 -16.8260 -16.8260 -16.7801 -16.7801 -7.3125 -7.3125 -7.2993 -7.2993 -6.2441 -6.2441 -5.8226 -5.8226 -5.5565 -5.5565 -4.6388 -4.6388 -4.6029 -4.6029 -4.5755 -4.5755 3.1206 3.1206 5.6774 5.6774 5.7446 5.7446 5.9839 5.9839 6.5514 6.5514 6.7388 6.7388 7.2180 7.2180 9.3879 9.3879 9.4225 9.4225 9.6037 9.6037 13.4476 13.4476 14.8918 14.8918 15.8912 15.8912 16.8217 16.8217 k = 0.3056 0.5000 0.3056 ( 2668 PWs) bands (ev): -49.8579 -49.8579 -24.2784 -24.2784 -16.8243 -16.8243 -16.7742 -16.7742 -7.3128 -7.3128 -7.2986 -7.2986 -6.2595 -6.2595 -5.8520 -5.8520 -5.5640 -5.5640 -4.6452 -4.6452 -4.6072 -4.6072 -4.5807 -4.5807 3.0853 3.0853 5.7114 5.7114 5.7618 5.7618 6.0472 6.0472 6.6234 6.6234 6.8105 6.8105 7.3412 7.3412 9.3532 9.3532 9.3799 9.3799 9.5828 9.5828 13.3887 13.3887 14.8141 14.8141 15.8756 15.8756 16.7387 16.7387 k = 0.2963 0.5000 0.2963 ( 2668 PWs) bands (ev): -49.8579 -49.8579 -24.2776 -24.2776 -16.8226 -16.8226 -16.7682 -16.7682 -7.3129 -7.3129 -7.2978 -7.2978 -6.2760 -6.2760 -5.8815 -5.8815 -5.5714 -5.5714 -4.6515 -4.6515 -4.6117 -4.6117 -4.5856 -4.5856 3.0527 3.0527 5.7316 5.7316 5.7930 5.7930 6.1130 6.1130 6.6981 6.6981 6.8849 6.8849 7.4628 7.4628 9.3152 9.3152 9.3383 9.3383 9.5607 9.5607 13.3315 13.3315 14.7399 14.7399 15.8602 15.8602 16.6532 16.6532 k = 0.2870 0.5000 0.2870 ( 2672 PWs) bands (ev): -49.8580 -49.8580 -24.2768 -24.2768 -16.8209 -16.8209 -16.7621 -16.7621 -7.3131 -7.3131 -7.2971 -7.2971 -6.2938 -6.2938 -5.9108 -5.9108 -5.5790 -5.5790 -4.6574 -4.6574 -4.6162 -4.6162 -4.5903 -4.5903 3.0228 3.0228 5.7412 5.7412 5.8352 5.8352 6.1811 6.1811 6.7749 6.7749 6.9619 6.9619 7.5820 7.5820 9.2712 9.2712 9.3008 9.3008 9.5374 9.5374 13.2762 13.2762 14.6698 14.6698 15.8450 15.8450 16.5654 16.5654 k = 0.2778 0.5000 0.2778 ( 2672 PWs) bands (ev): -49.8580 -49.8580 -24.2759 -24.2759 -16.8191 -16.8191 -16.7559 -16.7559 -7.3132 -7.3132 -7.2964 -7.2964 -6.3127 -6.3127 -5.9398 -5.9398 -5.5866 -5.5866 -4.6631 -4.6631 -4.6208 -4.6208 -4.5948 -4.5948 2.9955 2.9955 5.7466 5.7466 5.8820 5.8820 6.2515 6.2515 6.8533 6.8533 7.0412 7.0412 7.6980 7.6980 9.2227 9.2227 9.2668 9.2668 9.5129 9.5129 13.2231 13.2231 14.6042 14.6042 15.8297 15.8297 16.4754 16.4754 k = 0.2685 0.5000 0.2685 ( 2672 PWs) bands (ev): -49.8580 -49.8580 -24.2751 -24.2751 -16.8173 -16.8173 -16.7496 -16.7496 -7.3132 -7.3132 -7.2956 -7.2956 -6.3329 -6.3329 -5.9684 -5.9684 -5.5942 -5.5942 -4.6685 -4.6685 -4.6255 -4.6255 -4.5989 -4.5989 2.9708 2.9708 5.7501 5.7501 5.9313 5.9313 6.3238 6.3238 6.9327 6.9327 7.1229 7.1229 7.8096 7.8096 9.1725 9.1725 9.2348 9.2348 9.4873 9.4873 13.1720 13.1720 14.5437 14.5437 15.8143 15.8143 16.3833 16.3833 k = 0.2593 0.5000 0.2593 ( 2672 PWs) bands (ev): -49.8581 -49.8581 -24.2742 -24.2742 -16.8155 -16.8155 -16.7432 -16.7432 -7.3132 -7.3132 -7.2949 -7.2949 -6.3542 -6.3542 -5.9964 -5.9964 -5.6018 -5.6018 -4.6736 -4.6736 -4.6303 -4.6303 -4.6027 -4.6027 2.9487 2.9487 5.7525 5.7525 5.9822 5.9822 6.3980 6.3980 7.0128 7.0128 7.2068 7.2068 7.9155 7.9155 9.1224 9.1224 9.2041 9.2041 9.4605 9.4605 13.1228 13.1228 14.4887 14.4887 15.7985 15.7985 16.2894 16.2894 k = 0.2500 0.5000 0.2500 ( 2664 PWs) bands (ev): -49.8581 -49.8581 -24.2732 -24.2732 -16.8137 -16.8137 -16.7367 -16.7367 -7.3132 -7.3132 -7.2942 -7.2942 -6.3766 -6.3766 -6.0236 -6.0236 -5.6093 -5.6093 -4.6783 -4.6783 -4.6350 -4.6350 -4.6062 -4.6062 2.9292 2.9292 5.7540 5.7540 6.0346 6.0346 6.4738 6.4738 7.0932 7.0932 7.2928 7.2928 8.0136 8.0136 9.0746 9.0746 9.1748 9.1748 9.4325 9.4325 13.0752 13.0752 14.4397 14.4397 15.7820 15.7820 16.1940 16.1940 k = 0.2407 0.5000 0.2407 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2725 -24.2725 -16.8120 -16.8120 -16.7303 -16.7303 -7.3131 -7.3131 -7.2934 -7.2934 -6.4001 -6.4001 -6.0501 -6.0501 -5.6169 -5.6169 -4.6827 -4.6827 -4.6398 -4.6398 -4.6094 -4.6094 2.9121 2.9121 5.7549 5.7549 6.0882 6.0882 6.5509 6.5509 7.1733 7.1733 7.3805 7.3805 8.1012 8.1012 9.0319 9.0319 9.1469 9.1469 9.4033 9.4033 13.0291 13.0291 14.3972 14.3972 15.7647 15.7647 16.0973 16.0973 k = 0.2315 0.5000 0.2315 ( 2680 PWs) bands (ev): -49.8582 -49.8582 -24.2716 -24.2716 -16.8102 -16.8102 -16.7239 -16.7239 -7.3128 -7.3128 -7.2927 -7.2927 -6.4246 -6.4246 -6.0757 -6.0757 -5.6244 -5.6244 -4.6867 -4.6867 -4.6445 -4.6445 -4.6123 -4.6123 2.8974 2.8974 5.7554 5.7554 6.1429 6.1429 6.6292 6.6292 7.2528 7.2528 7.4698 7.4698 8.1744 8.1744 8.9981 8.9981 9.1208 9.1208 9.3730 9.3730 12.9839 12.9839 14.3616 14.3616 15.7461 15.7461 16.0001 16.0001 k = 0.2222 0.5000 0.2222 ( 2676 PWs) bands (ev): -49.8583 -49.8583 -24.2707 -24.2707 -16.8083 -16.8083 -16.7174 -16.7174 -7.3125 -7.3125 -7.2919 -7.2919 -6.4498 -6.4498 -6.1004 -6.1004 -5.6319 -5.6319 -4.6903 -4.6903 -4.6491 -4.6491 -4.6149 -4.6149 2.8851 2.8851 5.7554 5.7554 6.1985 6.1985 6.7084 6.7084 7.3314 7.3314 7.5604 7.5604 8.2284 8.2284 8.9780 8.9780 9.0967 9.0967 9.3415 9.3415 12.9394 12.9394 14.3332 14.3332 15.7251 15.7251 15.9036 15.9036 k = 0.2130 0.5000 0.2130 ( 2672 PWs) bands (ev): -49.8583 -49.8583 -24.2698 -24.2698 -16.8065 -16.8065 -16.7110 -16.7110 -7.3121 -7.3121 -7.2912 -7.2912 -6.4758 -6.4758 -6.1241 -6.1241 -5.6393 -5.6393 -4.6936 -4.6936 -4.6536 -4.6536 -4.6173 -4.6173 2.8750 2.8750 5.7550 5.7550 6.2551 6.2551 6.7881 6.7881 7.4085 7.4085 7.6520 7.6520 8.2588 8.2588 8.9762 8.9762 9.0749 9.0749 9.3089 9.3089 12.8950 12.8950 14.3122 14.3122 15.6980 15.6980 15.8121 15.8121 k = 0.2037 0.5000 0.2037 ( 2680 PWs) bands (ev): -49.8583 -49.8583 -24.2690 -24.2690 -16.8048 -16.8048 -16.7047 -16.7047 -7.3116 -7.3116 -7.2904 -7.2904 -6.5023 -6.5023 -6.1469 -6.1469 -5.6466 -5.6466 -4.6965 -4.6965 -4.6579 -4.6579 -4.6194 -4.6194 2.8671 2.8671 5.7544 5.7544 6.3123 6.3123 6.8682 6.8682 7.4839 7.4839 7.7444 7.7444 8.2639 8.2639 8.9943 8.9943 9.0559 9.0559 9.2752 9.2752 12.8504 12.8504 14.2987 14.2987 15.6505 15.6505 15.7401 15.7401 k = 0.1944 0.5000 0.1944 ( 2686 PWs) bands (ev): -49.8584 -49.8584 -24.2682 -24.2682 -16.8031 -16.8031 -16.6986 -16.6986 -7.3110 -7.3110 -7.2896 -7.2896 -6.5291 -6.5291 -6.1687 -6.1687 -5.6537 -5.6537 -4.6992 -4.6992 -4.6621 -4.6621 -4.6213 -4.6213 2.8612 2.8612 5.7535 5.7535 6.3703 6.3703 6.9483 6.9483 7.5570 7.5570 7.8371 7.8371 8.2460 8.2460 9.0264 9.0264 9.0438 9.0438 9.2405 9.2405 12.8054 12.8054 14.2926 14.2926 15.5704 15.5704 15.7003 15.7003 k = 0.1852 0.5000 0.1852 ( 2686 PWs) bands (ev): -49.8584 -49.8584 -24.2674 -24.2674 -16.8014 -16.8014 -16.6925 -16.6925 -7.3102 -7.3102 -7.2889 -7.2889 -6.5561 -6.5561 -6.1896 -6.1896 -5.6608 -5.6608 -4.7016 -4.7016 -4.6660 -4.6660 -4.6229 -4.6229 2.8572 2.8572 5.7524 5.7524 6.4287 6.4287 7.0280 7.0280 7.6275 7.6275 7.9298 7.9298 8.2105 8.2105 9.0239 9.0239 9.0824 9.0824 9.2049 9.2049 12.7596 12.7596 14.2936 14.2936 15.4764 15.4764 15.6747 15.6747 k = 0.1759 0.5000 0.1759 ( 2702 PWs) bands (ev): -49.8585 -49.8585 -24.2667 -24.2667 -16.7999 -16.7999 -16.6866 -16.6866 -7.3093 -7.3093 -7.2881 -7.2881 -6.5832 -6.5832 -6.2095 -6.2095 -5.6677 -5.6677 -4.7037 -4.7037 -4.6698 -4.6698 -4.6243 -4.6243 2.8550 2.8550 5.7512 5.7512 6.4874 6.4874 7.1069 7.1069 7.6947 7.6947 8.0217 8.0217 8.1633 8.1633 9.0149 9.0149 9.1386 9.1386 9.1687 9.1687 12.7129 12.7129 14.3012 14.3012 15.3793 15.3793 15.6532 15.6532 k = 0.1667 0.5000 0.1667 ( 2714 PWs) bands (ev): -49.8585 -49.8585 -24.2661 -24.2661 -16.7984 -16.7984 -16.6808 -16.6808 -7.3083 -7.3083 -7.2873 -7.2873 -6.6101 -6.6101 -6.2284 -6.2284 -5.6744 -5.6744 -4.7056 -4.7056 -4.6733 -4.6733 -4.6255 -4.6255 2.8545 2.8545 5.7498 5.7498 6.5464 6.5464 7.1846 7.1846 7.7582 7.7582 8.0950 8.0950 8.1266 8.1266 9.0094 9.0094 9.1303 9.1303 9.2002 9.2002 12.6652 12.6652 14.3148 14.3148 15.2820 15.2820 15.6336 15.6336 k = 0.1574 0.5000 0.1574 ( 2700 PWs) bands (ev): -49.8586 -49.8586 -24.2652 -24.2652 -16.7968 -16.7968 -16.6751 -16.6751 -7.3071 -7.3071 -7.2866 -7.2866 -6.6366 -6.6366 -6.2465 -6.2465 -5.6809 -5.6809 -4.7074 -4.7074 -4.6765 -4.6765 -4.6265 -4.6265 2.8555 2.8555 5.7484 5.7484 6.6054 6.6054 7.2608 7.2608 7.8174 7.8174 8.0444 8.0444 8.2084 8.2084 9.0080 9.0080 9.0922 9.0922 9.2618 9.2618 12.6164 12.6164 14.3335 14.3335 15.1859 15.1859 15.6154 15.6154 k = 0.1481 0.5000 0.1481 ( 2700 PWs) bands (ev): -49.8586 -49.8586 -24.2645 -24.2645 -16.7953 -16.7953 -16.6696 -16.6696 -7.3058 -7.3058 -7.2858 -7.2858 -6.6627 -6.6627 -6.2636 -6.2636 -5.6872 -5.6872 -4.7091 -4.7091 -4.6794 -4.6794 -4.6273 -4.6273 2.8579 2.8579 5.7468 5.7468 6.6642 6.6642 7.3348 7.3348 7.8709 7.8709 7.9839 7.9839 8.2980 8.2980 9.0110 9.0110 9.0534 9.0534 9.3225 9.3225 12.5668 12.5668 14.3563 14.3563 15.0919 15.0919 15.5987 15.5987 k = 0.1389 0.5000 0.1389 ( 2700 PWs) bands (ev): -49.8586 -49.8586 -24.2638 -24.2638 -16.7938 -16.7938 -16.6644 -16.6644 -7.3043 -7.3043 -7.2850 -7.2850 -6.6882 -6.6882 -6.2797 -6.2797 -5.6933 -5.6933 -4.7106 -4.7106 -4.6821 -4.6821 -4.6279 -4.6279 2.8615 2.8615 5.7453 5.7453 6.7227 6.7227 7.4063 7.4063 7.8996 7.8996 7.9422 7.9422 8.3865 8.3865 9.0123 9.0123 9.0205 9.0205 9.3810 9.3810 12.5163 12.5163 14.3821 14.3821 15.0006 15.0006 15.5836 15.5836 k = 0.1296 0.5000 0.1296 ( 2700 PWs) bands (ev): -49.8587 -49.8587 -24.2631 -24.2631 -16.7924 -16.7924 -16.6594 -16.6594 -7.3026 -7.3026 -7.2843 -7.2843 -6.7129 -6.7129 -6.2950 -6.2950 -5.6991 -5.6991 -4.7121 -4.7121 -4.6844 -4.6844 -4.6283 -4.6283 2.8661 2.8661 5.7437 5.7437 6.7805 6.7805 7.4745 7.4745 7.8490 7.8490 7.9753 7.9753 8.4731 8.4731 8.9737 8.9737 9.0317 9.0317 9.4367 9.4367 12.4651 12.4651 14.4096 14.4096 14.9128 14.9128 15.5705 15.5705 k = 0.1204 0.5000 0.1204 ( 2692 PWs) bands (ev): -49.8587 -49.8587 -24.2624 -24.2624 -16.7911 -16.7911 -16.6546 -16.6546 -7.3009 -7.3009 -7.2835 -7.2835 -6.7366 -6.7366 -6.3093 -6.3093 -5.7046 -5.7046 -4.7136 -4.7136 -4.6865 -4.6865 -4.6286 -4.6286 2.8715 2.8715 5.7421 5.7421 6.8375 6.8375 7.5391 7.5391 7.7885 7.7885 8.0152 8.0152 8.5575 8.5575 8.9337 8.9337 9.0486 9.0486 9.4889 9.4889 12.4136 12.4136 14.4372 14.4372 14.8295 14.8295 15.5597 15.5597 k = 0.1111 0.5000 0.1111 ( 2692 PWs) bands (ev): -49.8587 -49.8587 -24.2618 -24.2618 -16.7899 -16.7899 -16.6501 -16.6501 -7.2989 -7.2989 -7.2828 -7.2828 -6.7594 -6.7594 -6.3226 -6.3226 -5.7098 -5.7098 -4.7150 -4.7150 -4.6883 -4.6883 -4.6287 -4.6287 2.8776 2.8776 5.7405 5.7405 6.8932 6.8932 7.5990 7.5990 7.7295 7.7295 8.0516 8.0516 8.6389 8.6389 8.8937 8.8937 9.0697 9.0697 9.5374 9.5374 12.3620 12.3620 14.4630 14.4630 14.7522 14.7522 15.5512 15.5512 k = 0.1019 0.5000 0.1019 ( 2708 PWs) bands (ev): -49.8588 -49.8588 -24.2614 -24.2614 -16.7888 -16.7888 -16.6461 -16.6461 -7.2969 -7.2969 -7.2821 -7.2821 -6.7809 -6.7809 -6.3350 -6.3350 -5.7147 -5.7147 -4.7164 -4.7164 -4.6898 -4.6898 -4.6286 -4.6286 2.8842 2.8842 5.7390 5.7390 6.9473 6.9473 7.6486 7.6486 7.6787 7.6787 8.0844 8.0844 8.7169 8.7169 8.8540 8.8540 9.0945 9.0945 9.5819 9.5819 12.3106 12.3106 14.4835 14.4835 14.6839 14.6839 15.5453 15.5453 k = 0.0926 0.5000 0.0926 ( 2704 PWs) bands (ev): -49.8588 -49.8588 -24.2609 -24.2609 -16.7878 -16.7878 -16.6422 -16.6422 -7.2948 -7.2948 -7.2814 -7.2814 -6.8012 -6.8012 -6.3464 -6.3464 -5.7192 -5.7192 -4.7177 -4.7177 -4.6910 -4.6910 -4.6285 -4.6285 2.8911 2.8911 5.7375 5.7375 6.9993 6.9993 7.6156 7.6156 7.7088 7.7088 8.1138 8.1138 8.7905 8.7905 8.8150 8.8150 9.1224 9.1224 9.6225 9.6225 12.2600 12.2600 14.4907 14.4907 14.6322 14.6322 15.5418 15.5418 k = 0.0833 0.5000 0.0833 ( 2706 PWs) bands (ev): -49.8588 -49.8588 -24.2604 -24.2604 -16.7868 -16.7868 -16.6387 -16.6387 -7.2927 -7.2927 -7.2808 -7.2808 -6.8200 -6.8200 -6.3567 -6.3567 -5.7234 -5.7234 -4.7190 -4.7190 -4.6921 -4.6921 -4.6283 -4.6283 2.8980 2.8980 5.7362 5.7362 7.0486 7.0486 7.5671 7.5671 7.7529 7.7529 8.1404 8.1404 8.7766 8.7766 8.8595 8.8595 9.1526 9.1526 9.6591 9.6591 12.2106 12.2106 14.4718 14.4718 14.6097 14.6097 15.5408 15.5408 k = 0.0741 0.5000 0.0741 ( 2702 PWs) bands (ev): -49.8588 -49.8588 -24.2600 -24.2600 -16.7859 -16.7859 -16.6354 -16.6354 -7.2905 -7.2905 -7.2802 -7.2802 -6.8373 -6.8373 -6.3661 -6.3661 -5.7272 -5.7272 -4.7202 -4.7202 -4.6930 -4.6930 -4.6280 -4.6280 2.9049 2.9049 5.7349 5.7349 7.0946 7.0946 7.5228 7.5228 7.7919 7.7919 8.1645 8.1645 8.7399 8.7399 8.9224 8.9224 9.1845 9.1845 9.6917 9.6917 12.1632 12.1632 14.4313 14.4313 14.6118 14.6118 15.5418 15.5418 k = 0.0648 0.5000 0.0648 ( 2702 PWs) bands (ev): -49.8588 -49.8588 -24.2596 -24.2596 -16.7851 -16.7851 -16.6326 -16.6326 -7.2884 -7.2884 -7.2797 -7.2797 -6.8530 -6.8530 -6.3744 -6.3744 -5.7305 -5.7305 -4.7213 -4.7213 -4.6937 -4.6937 -4.6277 -4.6277 2.9114 2.9114 5.7338 5.7338 7.1363 7.1363 7.4839 7.4839 7.8252 7.8252 8.1864 8.1864 8.7051 8.7051 8.9786 8.9786 9.2173 9.2173 9.7202 9.7202 12.1183 12.1183 14.3855 14.3855 14.6224 14.6224 15.5445 15.5445 k = 0.0556 0.5000 0.0556 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2593 -24.2593 -16.7845 -16.7845 -16.6301 -16.6301 -7.2864 -7.2864 -7.2792 -7.2792 -6.8669 -6.8669 -6.3816 -6.3816 -5.7335 -5.7335 -4.7223 -4.7223 -4.6943 -4.6943 -4.6274 -4.6274 2.9175 2.9175 5.7327 5.7327 7.1726 7.1726 7.4515 7.4515 7.8528 7.8528 8.2063 8.2063 8.6729 8.6729 9.0275 9.0275 9.2499 9.2499 9.7448 9.7448 12.0769 12.0769 14.3422 14.3422 14.6341 14.6341 15.5484 15.5484 k = 0.0463 0.5000 0.0463 ( 2710 PWs) bands (ev): -49.8589 -49.8589 -24.2591 -24.2591 -16.7839 -16.7839 -16.6280 -16.6280 -7.2846 -7.2846 -7.2787 -7.2787 -6.8788 -6.8788 -6.3878 -6.3878 -5.7360 -5.7360 -4.7232 -4.7232 -4.6947 -4.6947 -4.6271 -4.6271 2.9229 2.9229 5.7318 5.7318 7.2022 7.2022 7.4265 7.4265 7.8751 7.8751 8.2239 8.2239 8.6438 8.6438 9.0685 9.0685 9.2813 9.2813 9.7656 9.7656 12.0397 12.0397 14.3039 14.3039 14.6446 14.6446 15.5528 15.5528 k = 0.0370 0.5000 0.0370 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2588 -24.2588 -16.7834 -16.7834 -16.6262 -16.6262 -7.2830 -7.2830 -7.2784 -7.2784 -6.8888 -6.8888 -6.3929 -6.3929 -5.7381 -5.7381 -4.7239 -4.7239 -4.6951 -4.6951 -4.6268 -4.6268 2.9276 2.9276 5.7311 5.7311 7.2237 7.2237 7.4097 7.4097 7.8924 7.8924 8.2390 8.2390 8.6186 8.6186 9.1016 9.1016 9.3099 9.3099 9.7825 9.7825 12.0077 12.0077 14.2717 14.2717 14.6533 14.6533 15.5574 15.5574 k = 0.0278 0.5000 0.0278 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2586 -24.2586 -16.7830 -16.7830 -16.6248 -16.6248 -7.2816 -7.2816 -7.2781 -7.2781 -6.8967 -6.8967 -6.3968 -6.3968 -5.7397 -5.7397 -4.7245 -4.7245 -4.6953 -4.6953 -4.6266 -4.6266 2.9314 2.9314 5.7305 5.7305 7.2367 7.2367 7.4012 7.4012 7.9052 7.9052 8.2513 8.2513 8.5981 8.5981 9.1270 9.1270 9.3341 9.3341 9.7955 9.7955 11.9817 11.9817 14.2463 14.2463 14.6599 14.6599 15.5614 15.5614 k = 0.0185 0.5000 0.0185 ( 2706 PWs) bands (ev): -49.8589 -49.8589 -24.2585 -24.2585 -16.7828 -16.7828 -16.6238 -16.6238 -7.2807 -7.2807 -7.2778 -7.2778 -6.9024 -6.9024 -6.3996 -6.3996 -5.7409 -5.7409 -4.7249 -4.7249 -4.6955 -4.6955 -4.6264 -4.6264 2.9342 2.9342 5.7301 5.7301 7.2429 7.2429 7.3987 7.3987 7.9140 7.9140 8.2603 8.2603 8.5828 8.5828 9.1448 9.1448 9.3526 9.3526 9.8049 9.8049 11.9624 11.9624 14.2280 14.2280 14.6645 14.6645 15.5647 15.5647 k = 0.0093 0.5000 0.0093 ( 2712 PWs) bands (ev): -49.8589 -49.8589 -24.2584 -24.2584 -16.7826 -16.7826 -16.6233 -16.6233 -7.2801 -7.2801 -7.2776 -7.2776 -6.9058 -6.9058 -6.4013 -6.4013 -5.7416 -5.7416 -4.7252 -4.7252 -4.6956 -4.6956 -4.6263 -4.6263 2.9359 2.9359 5.7298 5.7298 7.2450 7.2450 7.3990 7.3990 7.9192 7.9192 8.2659 8.2659 8.5734 8.5734 9.1554 9.1554 9.3643 9.3643 9.8104 9.8104 11.9507 11.9507 14.2170 14.2170 14.6672 14.6672 15.5667 15.5667 k = 0.0000 0.5000-0.0000 ( 2730 PWs) bands (ev): -49.8589 -49.8589 -24.2586 -24.2586 -16.7827 -16.7827 -16.6232 -16.6232 -7.2799 -7.2799 -7.2776 -7.2776 -6.9070 -6.9070 -6.4019 -6.4019 -5.7418 -5.7418 -4.7253 -4.7253 -4.6956 -4.6956 -4.6263 -4.6263 2.9364 2.9364 5.7298 5.7298 7.2454 7.2454 7.3995 7.3995 7.9209 7.9209 8.2677 8.2677 8.5702 8.5702 9.1589 9.1589 9.3682 9.3682 9.8123 9.8123 11.9467 11.9467 14.2133 14.2133 14.6680 14.6680 15.5674 15.5674 k = 0.5000 0.5000-0.0000 ( 2680 PWs) bands (ev): -49.8581 -49.8581 -24.2734 -24.2734 -16.8514 -16.8514 -16.6958 -16.6958 -7.3779 -7.3779 -7.2770 -7.2770 -6.5695 -6.5695 -5.8156 -5.8156 -5.4645 -5.4645 -4.7139 -4.7139 -4.6938 -4.6938 -4.5935 -4.5935 2.5971 2.5971 5.6179 5.6179 5.9731 5.9731 7.2919 7.2919 7.4837 7.4837 7.7979 7.7979 7.8014 7.8014 8.3354 8.3354 8.7616 8.7616 9.8215 9.8215 13.0588 13.0588 14.8058 14.8058 14.9014 14.9014 16.3430 16.3430 k = 0.5000 0.5000 0.0132 ( 2680 PWs) bands (ev): -49.8581 -49.8581 -24.2735 -24.2735 -16.8514 -16.8514 -16.6961 -16.6961 -7.3776 -7.3776 -7.2771 -7.2771 -6.5685 -6.5685 -5.8156 -5.8156 -5.4645 -5.4645 -4.7136 -4.7136 -4.6935 -4.6935 -4.5935 -4.5935 2.5984 2.5984 5.6178 5.6178 5.9731 5.9731 7.2724 7.2724 7.4558 7.4558 7.8212 7.8212 7.8258 7.8258 8.3304 8.3304 8.7556 8.7556 9.8215 9.8215 13.0608 13.0608 14.8065 14.8065 14.9036 14.9036 16.3455 16.3455 k = 0.5000 0.5000 0.0263 ( 2688 PWs) bands (ev): -49.8581 -49.8581 -24.2736 -24.2736 -16.8514 -16.8514 -16.6969 -16.6969 -7.3768 -7.3768 -7.2773 -7.2773 -6.5654 -6.5654 -5.8154 -5.8154 -5.4645 -5.4645 -4.7127 -4.7127 -4.6926 -4.6926 -4.5933 -4.5933 2.6024 2.6024 5.6177 5.6177 5.9732 5.9732 7.2209 7.2209 7.3905 7.3905 7.8732 7.8732 7.8915 7.8915 8.3153 8.3153 8.7374 8.7374 9.8213 9.8213 13.0670 13.0670 14.8085 14.8085 14.9102 14.9102 16.3527 16.3527 k = 0.5000 0.5000 0.0395 ( 2688 PWs) bands (ev): -49.8581 -49.8581 -24.2738 -24.2738 -16.8514 -16.8514 -16.6983 -16.6983 -7.3756 -7.3756 -7.2775 -7.2775 -6.5602 -6.5602 -5.8152 -5.8152 -5.4647 -5.4647 -4.7112 -4.7112 -4.6910 -4.6910 -4.5930 -4.5930 2.6091 2.6091 5.6176 5.6176 5.9733 5.9733 7.1502 7.1502 7.3096 7.3096 7.9447 7.9447 7.9728 7.9728 8.2907 8.2907 8.7075 8.7075 9.8211 9.8211 13.0770 13.0770 14.8120 14.8120 14.9213 14.9213 16.3646 16.3646 k = 0.5000 0.5000 0.0526 ( 2688 PWs) bands (ev): -49.8581 -49.8581 -24.2739 -24.2739 -16.8513 -16.8513 -16.7001 -16.7001 -7.3738 -7.3738 -7.2779 -7.2779 -6.5530 -6.5530 -5.8147 -5.8147 -5.4648 -5.4648 -4.7091 -4.7091 -4.6888 -4.6888 -4.5925 -4.5925 2.6184 2.6184 5.6173 5.6173 5.9735 5.9735 7.0693 7.0693 7.2226 7.2226 8.0260 8.0260 8.0603 8.0603 8.2571 8.2571 8.6663 8.6663 9.8209 9.8209 13.0909 13.0909 14.8170 14.8170 14.9367 14.9367 16.3811 16.3811 k = 0.5000 0.5000 0.0658 ( 2684 PWs) bands (ev): -49.8581 -49.8581 -24.2741 -24.2741 -16.8512 -16.8512 -16.7024 -16.7024 -7.3716 -7.3716 -7.2784 -7.2784 -6.5439 -6.5439 -5.8141 -5.8141 -5.4650 -5.4650 -4.7065 -4.7065 -4.6861 -4.6861 -4.5919 -4.5919 2.6304 2.6304 5.6170 5.6170 5.9737 5.9737 6.9833 6.9833 7.1333 7.1333 8.1091 8.1091 8.1500 8.1500 8.2181 8.2181 8.6145 8.6145 9.8205 9.8205 13.1083 13.1083 14.8238 14.8238 14.9563 14.9563 16.4019 16.4019 k = 0.5000 0.5000 0.0789 ( 2684 PWs) bands (ev): -49.8581 -49.8581 -24.2744 -24.2744 -16.8510 -16.8510 -16.7052 -16.7052 -7.3691 -7.3691 -7.2789 -7.2789 -6.5328 -6.5328 -5.8133 -5.8133 -5.4652 -5.4652 -4.7033 -4.7033 -4.6828 -4.6828 -4.5912 -4.5912 2.6450 2.6450 5.6166 5.6166 5.9740 5.9740 6.8948 6.8948 7.0433 7.0433 8.1424 8.1424 8.2229 8.2229 8.2395 8.2395 8.5533 8.5533 9.8201 9.8201 13.1290 13.1290 14.8326 14.8326 14.9801 14.9801 16.4269 16.4269 k = 0.5000 0.5000 0.0921 ( 2684 PWs) bands (ev): -49.8581 -49.8581 -24.2747 -24.2747 -16.8509 -16.8509 -16.7085 -16.7085 -7.3662 -7.3662 -7.2796 -7.2796 -6.5198 -6.5198 -5.8122 -5.8122 -5.4655 -5.4655 -4.6995 -4.6995 -4.6790 -4.6790 -4.5903 -4.5903 2.6623 2.6623 5.6161 5.6161 5.9743 5.9743 6.8053 6.8053 6.9534 6.9534 8.0907 8.0907 8.3058 8.3058 8.3253 8.3253 8.4861 8.4861 9.8196 9.8196 13.1528 13.1528 14.8436 14.8436 15.0079 15.0079 16.4558 16.4558 k = 0.5000 0.5000 0.1053 ( 2684 PWs) bands (ev): -49.8581 -49.8581 -24.2751 -24.2751 -16.8507 -16.8507 -16.7122 -16.7122 -7.3631 -7.3631 -7.2804 -7.2804 -6.5050 -6.5050 -5.8108 -5.8108 -5.4657 -5.4657 -4.6953 -4.6953 -4.6746 -4.6746 -4.5893 -4.5893 2.6823 2.6823 5.6156 5.6156 5.9746 5.9746 6.7158 6.7158 6.8643 6.8643 8.0239 8.0239 8.3678 8.3678 8.3961 8.3961 8.4526 8.4526 9.8190 9.8190 13.1794 13.1794 14.8571 14.8571 15.0395 15.0395 16.4883 16.4883 k = 0.5000 0.5000 0.1184 ( 2676 PWs) bands (ev): -49.8580 -49.8580 -24.2754 -24.2754 -16.8505 -16.8505 -16.7161 -16.7161 -7.3598 -7.3598 -7.2812 -7.2812 -6.4885 -6.4885 -5.8089 -5.8089 -5.4660 -5.4660 -4.6906 -4.6906 -4.6699 -4.6699 -4.5881 -4.5881 2.7049 2.7049 5.6149 5.6149 5.9750 5.9750 6.6270 6.6270 6.7764 6.7764 7.9491 7.9491 8.2984 8.2984 8.4869 8.4869 8.5220 8.5220 9.8184 9.8184 13.2085 13.2085 14.8734 14.8734 15.0747 15.0747 16.5241 16.5241 k = 0.5000 0.5000 0.1316 ( 2684 PWs) bands (ev): -49.8580 -49.8580 -24.2759 -24.2759 -16.8504 -16.8504 -16.7207 -16.7207 -7.3563 -7.3563 -7.2821 -7.2821 -6.4705 -6.4705 -5.8066 -5.8066 -5.4663 -5.4663 -4.6855 -4.6855 -4.6647 -4.6647 -4.5868 -4.5868 2.7301 2.7301 5.6141 5.6141 5.9754 5.9754 6.5393 6.5393 6.6898 6.6898 7.8677 7.8677 8.2057 8.2057 8.5768 8.5768 8.6060 8.6060 9.8177 9.8177 13.2400 13.2400 14.8926 14.8926 15.1132 15.1132 16.5629 16.5629 k = 0.5000 0.5000 0.1447 ( 2696 PWs) bands (ev): -49.8580 -49.8580 -24.2765 -24.2765 -16.8502 -16.8502 -16.7257 -16.7257 -7.3528 -7.3528 -7.2831 -7.2831 -6.4512 -6.4512 -5.8037 -5.8037 -5.4666 -5.4666 -4.6800 -4.6800 -4.6592 -4.6592 -4.5853 -4.5853 2.7579 2.7579 5.6131 5.6131 5.9758 5.9758 6.4530 6.4530 6.6049 6.6049 7.7805 7.7805 8.1049 8.1049 8.6651 8.6651 8.6901 8.6901 9.8170 9.8170 13.2736 13.2736 14.9152 14.9152 15.1548 15.1548 16.6044 16.6044 k = 0.5000 0.5000 0.1579 ( 2688 PWs) bands (ev): -49.8580 -49.8580 -24.2769 -24.2769 -16.8499 -16.8499 -16.7308 -16.7308 -7.3493 -7.3493 -7.2842 -7.2842 -6.4306 -6.4306 -5.8001 -5.8001 -5.4669 -5.4669 -4.6742 -4.6742 -4.6533 -4.6533 -4.5835 -4.5835 2.7883 2.7883 5.6120 5.6120 5.9763 5.9763 6.3684 6.3684 6.5218 6.5218 7.6882 7.6882 7.9986 7.9986 8.7514 8.7514 8.7724 8.7724 9.8162 9.8162 13.3094 13.3094 14.9413 14.9413 15.1990 15.1990 16.6483 16.6483 k = 0.5000 0.5000 0.1711 ( 2688 PWs) bands (ev): -49.8580 -49.8580 -24.2775 -24.2775 -16.8497 -16.8497 -16.7362 -16.7362 -7.3458 -7.3458 -7.2853 -7.2853 -6.4091 -6.4091 -5.7957 -5.7957 -5.4671 -5.4671 -4.6681 -4.6681 -4.6472 -4.6472 -4.5816 -4.5816 2.8212 2.8212 5.6107 5.6107 5.9767 5.9767 6.2858 6.2858 6.4408 6.4408 7.5915 7.5915 7.8879 7.8879 8.8352 8.8352 8.8525 8.8525 9.8154 9.8154 13.3471 13.3471 14.9710 14.9710 15.2455 15.2455 16.6944 16.6944 k = 0.5000 0.5000 0.1842 ( 2688 PWs) bands (ev): -49.8579 -49.8579 -24.2780 -24.2780 -16.8494 -16.8494 -16.7418 -16.7418 -7.3424 -7.3424 -7.2865 -7.2865 -6.3869 -6.3869 -5.7903 -5.7903 -5.4673 -5.4673 -4.6617 -4.6617 -4.6410 -4.6410 -4.5795 -4.5795 2.8568 2.8568 5.6092 5.6092 5.9770 5.9770 6.2054 6.2054 6.3618 6.3618 7.4910 7.4910 7.7739 7.7739 8.9163 8.9163 8.9299 8.9299 9.8145 9.8145 13.3867 13.3867 15.0046 15.0046 15.2941 15.2941 16.7422 16.7422 k = 0.5000 0.5000 0.1974 ( 2692 PWs) bands (ev): -49.8579 -49.8579 -24.2787 -24.2787 -16.8492 -16.8492 -16.7477 -16.7477 -7.3392 -7.3392 -7.2877 -7.2877 -6.3643 -6.3643 -5.7838 -5.7838 -5.4676 -5.4676 -4.6551 -4.6551 -4.6346 -4.6346 -4.5771 -4.5771 2.8948 2.8948 5.6075 5.6075 5.9772 5.9772 6.1274 6.1274 6.2852 6.2852 7.3872 7.3872 7.6575 7.6575 8.9943 8.9943 9.0044 9.0044 9.8136 9.8136 13.4282 13.4282 15.0421 15.0421 15.3442 15.3442 16.7917 16.7917 k = 0.5000 0.5000 0.2105 ( 2684 PWs) bands (ev): -49.8579 -49.8579 -24.2792 -24.2792 -16.8489 -16.8489 -16.7535 -16.7535 -7.3360 -7.3360 -7.2890 -7.2890 -6.3415 -6.3415 -5.7761 -5.7761 -5.4677 -5.4677 -4.6483 -4.6483 -4.6282 -4.6282 -4.5744 -4.5744 2.9353 2.9353 5.6054 5.6054 5.9765 5.9765 6.0527 6.0527 6.2110 6.2110 7.2807 7.2807 7.5397 7.5397 9.0690 9.0690 9.0758 9.0758 9.8127 9.8127 13.4713 13.4713 15.0837 15.0837 15.3956 15.3956 16.8424 16.8424 k = 0.5000 0.5000 0.2237 ( 2676 PWs) bands (ev): -49.8578 -49.8578 -24.2797 -24.2797 -16.8485 -16.8485 -16.7596 -16.7596 -7.3331 -7.3331 -7.2903 -7.2903 -6.3190 -6.3190 -5.7670 -5.7670 -5.4679 -5.4679 -4.6415 -4.6415 -4.6219 -4.6219 -4.5714 -4.5714 2.9783 2.9783 5.6031 5.6031 5.9646 5.9646 5.9918 5.9918 6.1394 6.1394 7.1721 7.1721 7.4214 7.4214 9.1402 9.1402 9.1439 9.1439 9.8118 9.8118 13.5161 13.5161 15.1293 15.1293 15.4479 15.4479 16.8943 16.8943 k = 0.5000 0.5000 0.2368 ( 2668 PWs) bands (ev): -49.8578 -49.8578 -24.2802 -24.2802 -16.8483 -16.8483 -16.7656 -16.7656 -7.3303 -7.3303 -7.2916 -7.2916 -6.2970 -6.2970 -5.7565 -5.7565 -5.4680 -5.4680 -4.6345 -4.6345 -4.6156 -4.6156 -4.5682 -4.5682 3.0237 3.0237 5.6004 5.6004 5.9036 5.9036 5.9825 5.9825 6.0703 6.0703 7.0618 7.0618 7.3034 7.3034 9.2077 9.2077 9.2086 9.2086 9.8108 9.8108 13.5624 13.5624 15.1787 15.1787 15.5007 15.5007 16.9470 16.9470 k = 0.5000 0.5000 0.2500 ( 2668 PWs) bands (ev): -49.8577 -49.8577 -24.2809 -24.2809 -16.8480 -16.8480 -16.7717 -16.7717 -7.3277 -7.3277 -7.2929 -7.2929 -6.2759 -6.2759 -5.7445 -5.7445 -5.4681 -5.4681 -4.6276 -4.6276 -4.6095 -4.6095 -4.5645 -4.5645 3.0714 3.0714 5.5972 5.5972 5.8367 5.8367 5.9820 5.9820 6.0041 6.0041 6.9502 6.9502 7.1864 7.1864 9.2697 9.2697 9.2715 9.2715 9.8099 9.8099 13.6101 13.6101 15.2320 15.2320 15.5537 15.5537 17.0004 17.0004 k = 0.5000 0.5000 0.2632 ( 2668 PWs) bands (ev): -49.8577 -49.8577 -24.2815 -24.2815 -16.8477 -16.8477 -16.7779 -16.7779 -7.3253 -7.3253 -7.2942 -7.2942 -6.2558 -6.2558 -5.7308 -5.7308 -5.4681 -5.4681 -4.6206 -4.6206 -4.6036 -4.6036 -4.5606 -4.5606 3.1214 3.1214 5.5935 5.5935 5.7718 5.7718 5.9406 5.9406 5.9822 5.9822 6.8379 6.8379 7.0714 7.0714 9.3273 9.3273 9.3314 9.3314 9.8089 9.8089 13.6589 13.6589 15.2888 15.2888 15.6065 15.6065 17.0542 17.0542 k = 0.5000 0.5000 0.2763 ( 2676 PWs) bands (ev): -49.8577 -49.8577 -24.2822 -24.2822 -16.8474 -16.8474 -16.7841 -16.7841 -7.3231 -7.3231 -7.2955 -7.2955 -6.2372 -6.2372 -5.7156 -5.7156 -5.4682 -5.4682 -4.6138 -4.6138 -4.5980 -4.5980 -4.5563 -4.5563 3.1736 3.1736 5.5892 5.5892 5.7097 5.7097 5.8802 5.8802 5.9825 5.9825 6.7252 6.7252 6.9591 6.9591 9.3812 9.3812 9.3873 9.3873 9.8080 9.8080 13.7086 13.7086 15.3489 15.3489 15.6590 15.6590 17.1084 17.1084 k = 0.5000 0.5000 0.2895 ( 2680 PWs) bands (ev): -49.8577 -49.8577 -24.2829 -24.2829 -16.8472 -16.8472 -16.7900 -16.7900 -7.3211 -7.3211 -7.2968 -7.2968 -6.2200 -6.2200 -5.6989 -5.6989 -5.4681 -5.4681 -4.6071 -4.6071 -4.5927 -4.5927 -4.5518 -4.5518 3.2278 3.2278 5.5842 5.5842 5.6505 5.6505 5.8227 5.8227 5.9829 5.9829 6.6127 6.6127 6.8503 6.8503 9.4315 9.4315 9.4393 9.4393 9.8071 9.8071 13.7590 13.7590 15.4119 15.4119 15.7107 15.7107 17.1627 17.1627 k = 0.5000 0.5000 0.3026 ( 2680 PWs) bands (ev): -49.8576 -49.8576 -24.2834 -24.2834 -16.8469 -16.8469 -16.7959 -16.7959 -7.3193 -7.3193 -7.2980 -7.2980 -6.2044 -6.2044 -5.6809 -5.6809 -5.4681 -5.4681 -4.6005 -4.6005 -4.5877 -4.5877 -4.5470 -4.5470 3.2841 3.2841 5.5785 5.5785 5.5943 5.5943 5.7683 5.7683 5.9832 5.9832 6.5007 6.5007 6.7457 6.7457 9.4781 9.4781 9.4874 9.4874 9.8062 9.8062 13.8095 13.8095 15.4773 15.4773 15.7614 15.7614 17.2170 17.2170 k = 0.5000 0.5000 0.3158 ( 2680 PWs) bands (ev): -49.8576 -49.8576 -24.2840 -24.2840 -16.8467 -16.8467 -16.8015 -16.8015 -7.3177 -7.3177 -7.2992 -7.2992 -6.1905 -6.1905 -5.6619 -5.6619 -5.4680 -5.4680 -4.5941 -4.5941 -4.5830 -4.5830 -4.5421 -4.5421 3.3422 3.3422 5.5411 5.5411 5.5717 5.5717 5.7172 5.7172 5.9834 5.9834 6.3898 6.3898 6.6460 6.6460 9.5211 9.5211 9.5316 9.5316 9.8053 9.8053 13.8600 13.8600 15.5446 15.5446 15.8108 15.8108 17.2712 17.2712 k = 0.5000 0.5000 0.3289 ( 2680 PWs) bands (ev): -49.8576 -49.8576 -24.2846 -24.2846 -16.8464 -16.8464 -16.8069 -16.8069 -7.3163 -7.3163 -7.3004 -7.3004 -6.1782 -6.1782 -5.6421 -5.6421 -5.4679 -5.4679 -4.5880 -4.5880 -4.5785 -4.5785 -4.5371 -4.5371 3.4019 3.4019 5.4911 5.4911 5.5639 5.5639 5.6692 5.6692 5.9834 5.9834 6.2804 6.2804 6.5519 6.5519 9.5606 9.5606 9.5721 9.5721 9.8045 9.8045 13.9098 13.9098 15.6130 15.6130 15.8587 15.8587 17.3252 17.3252 k = 0.5000 0.5000 0.3421 ( 2672 PWs) bands (ev): -49.8575 -49.8575 -24.2850 -24.2850 -16.8461 -16.8461 -16.8120 -16.8120 -7.3150 -7.3150 -7.3016 -7.3016 -6.1675 -6.1675 -5.6218 -5.6218 -5.4678 -5.4678 -4.5821 -4.5821 -4.5743 -4.5743 -4.5321 -4.5321 3.4630 3.4630 5.4441 5.4441 5.5549 5.5549 5.6247 5.6247 5.9828 5.9828 6.1736 6.1736 6.4641 6.4641 9.5966 9.5966 9.6088 9.6088 9.8037 9.8037 13.9586 13.9586 15.6820 15.6820 15.9049 15.9049 17.3788 17.3788 k = 0.5000 0.5000 0.3553 ( 2656 PWs) bands (ev): -49.8575 -49.8575 -24.2854 -24.2854 -16.8458 -16.8458 -16.8168 -16.8168 -7.3139 -7.3139 -7.3026 -7.3026 -6.1582 -6.1582 -5.6015 -5.6015 -5.4676 -5.4676 -4.5766 -4.5766 -4.5702 -4.5702 -4.5273 -4.5273 3.5252 3.5252 5.4002 5.4002 5.5443 5.5443 5.5838 5.5838 5.9795 5.9795 6.0719 6.0719 6.3833 6.3833 9.6292 9.6292 9.6419 9.6419 9.8030 9.8030 14.0059 14.0059 15.7505 15.7505 15.9489 15.9489 17.4318 17.4318 k = 0.5000 0.5000 0.3684 ( 2668 PWs) bands (ev): -49.8575 -49.8575 -24.2860 -24.2860 -16.8456 -16.8456 -16.8215 -16.8215 -7.3129 -7.3129 -7.3036 -7.3036 -6.1503 -6.1503 -5.5815 -5.5815 -5.4675 -5.4675 -4.5715 -4.5715 -4.5664 -4.5664 -4.5226 -4.5226 3.5881 3.5881 5.3593 5.3593 5.5312 5.5312 5.5476 5.5476 5.9474 5.9474 6.0020 6.0020 6.3098 6.3098 9.6584 9.6584 9.6716 9.6716 9.8024 9.8024 14.0511 14.0511 15.8178 15.8178 15.9905 15.9905 17.4841 17.4841 k = 0.5000 0.5000 0.3816 ( 2676 PWs) bands (ev): -49.8575 -49.8575 -24.2865 -24.2865 -16.8455 -16.8455 -16.8257 -16.8257 -7.3120 -7.3120 -7.3046 -7.3046 -6.1435 -6.1435 -5.5622 -5.5622 -5.4674 -5.4674 -4.5667 -4.5667 -4.5628 -4.5628 -4.5182 -4.5182 3.6514 3.6514 5.3214 5.3214 5.5077 5.5077 5.5240 5.5240 5.8593 5.8593 5.9921 5.9921 6.2442 6.2442 9.6845 9.6845 9.6979 9.6979 9.8018 9.8018 14.0938 14.0938 15.8829 15.8829 16.0295 16.0295 17.5352 17.5352 k = 0.5000 0.5000 0.3947 ( 2676 PWs) bands (ev): -49.8575 -49.8575 -24.2869 -24.2869 -16.8453 -16.8453 -16.8296 -16.8296 -7.3113 -7.3113 -7.3054 -7.3054 -6.1378 -6.1378 -5.5439 -5.5439 -5.4672 -5.4672 -4.5624 -4.5624 -4.5595 -4.5595 -4.5140 -4.5140 3.7143 3.7143 5.2863 5.2863 5.4782 5.4782 5.5088 5.5088 5.7675 5.7675 5.9905 5.9905 6.1867 6.1867 9.7074 9.7074 9.7210 9.7210 9.8013 9.8013 14.1334 14.1334 15.9447 15.9447 16.0655 16.0655 17.5850 17.5850 k = 0.5000 0.5000 0.4079 ( 2676 PWs) bands (ev): -49.8575 -49.8575 -24.2873 -24.2873 -16.8451 -16.8451 -16.8330 -16.8330 -7.3107 -7.3107 -7.3062 -7.3062 -6.1331 -6.1331 -5.5270 -5.5270 -5.4671 -5.4671 -4.5585 -4.5585 -4.5564 -4.5564 -4.5103 -4.5103 3.7760 3.7760 5.2537 5.2537 5.4512 5.4512 5.4941 5.4941 5.6805 5.6805 5.9901 5.9901 6.1373 6.1373 9.7273 9.7273 9.7410 9.7410 9.8010 9.8010 14.1696 14.1696 16.0023 16.0023 16.0982 16.0982 17.6327 17.6327 k = 0.5000 0.5000 0.4211 ( 2672 PWs) bands (ev): -49.8574 -49.8574 -24.2875 -24.2875 -16.8449 -16.8449 -16.8361 -16.8361 -7.3101 -7.3101 -7.3069 -7.3069 -6.1293 -6.1293 -5.5117 -5.5117 -5.4670 -5.4670 -4.5550 -4.5550 -4.5536 -4.5536 -4.5070 -4.5070 3.8355 3.8355 5.2234 5.2234 5.4275 5.4275 5.4794 5.4794 5.6006 5.6006 5.9900 5.9900 6.0958 6.0958 9.7441 9.7441 9.7581 9.7581 9.8008 9.8008 14.2019 14.2019 16.0546 16.0546 16.1274 16.1274 17.6776 17.6776 k = 0.5000 0.5000 0.4342 ( 2672 PWs) bands (ev): -49.8574 -49.8574 -24.2878 -24.2878 -16.8448 -16.8448 -16.8387 -16.8387 -7.3097 -7.3097 -7.3074 -7.3074 -6.1262 -6.1262 -5.4984 -5.4984 -5.4668 -5.4668 -4.5521 -4.5521 -4.5512 -4.5512 -4.5041 -4.5041 3.8915 3.8915 5.1952 5.1952 5.4074 5.4074 5.4652 5.4652 5.5296 5.5296 5.9901 5.9901 6.0620 6.0620 9.7581 9.7581 9.7724 9.7724 9.8008 9.8008 14.2299 14.2299 16.1008 16.1008 16.1526 16.1526 17.7188 17.7188 k = 0.5000 0.5000 0.4474 ( 2656 PWs) bands (ev): -49.8574 -49.8574 -24.2879 -24.2879 -16.8445 -16.8445 -16.8407 -16.8407 -7.3094 -7.3094 -7.3079 -7.3079 -6.1237 -6.1237 -5.4871 -5.4871 -5.4667 -5.4667 -4.5496 -4.5496 -4.5491 -4.5491 -4.5017 -4.5017 3.9422 3.9422 5.1691 5.1691 5.3908 5.3908 5.4522 5.4522 5.4696 5.4696 5.9902 5.9902 6.0353 6.0353 9.7691 9.7691 9.7839 9.7839 9.8011 9.8011 14.2533 14.2533 16.1398 16.1398 16.1737 16.1737 17.7551 17.7551 k = 0.5000 0.5000 0.4605 ( 2648 PWs) bands (ev): -49.8574 -49.8574 -24.2880 -24.2880 -16.8444 -16.8444 -16.8424 -16.8424 -7.3091 -7.3091 -7.3083 -7.3083 -6.1219 -6.1219 -5.4782 -5.4782 -5.4666 -5.4666 -4.5477 -4.5477 -4.5475 -4.5475 -4.4998 -4.4998 3.9854 3.9854 5.1456 5.1456 5.3779 5.3779 5.4221 5.4221 5.4412 5.4412 5.9902 5.9902 6.0152 6.0152 9.7771 9.7771 9.7927 9.7927 9.8018 9.8018 14.2718 14.2718 16.1710 16.1710 16.1904 16.1904 17.7853 17.7853 k = 0.5000 0.5000 0.4737 ( 2616 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8442 -16.8442 -16.8433 -16.8433 -7.3089 -7.3089 -7.3086 -7.3086 -6.1206 -6.1206 -5.4717 -5.4717 -5.4666 -5.4666 -4.5464 -4.5464 -4.5463 -4.5463 -4.4984 -4.4984 4.0189 4.0189 5.1262 5.1262 5.3687 5.3687 5.3882 5.3882 5.4329 5.4329 5.9903 5.9903 6.0013 6.0013 9.7824 9.7824 9.7990 9.7990 9.8028 9.8028 14.2852 14.2852 16.1938 16.1938 16.2025 16.2025 17.8081 17.8081 k = 0.5000 0.5000 0.4868 ( 2608 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8442 -16.8442 -16.8439 -16.8439 -7.3088 -7.3088 -7.3087 -7.3087 -6.1198 -6.1198 -5.4678 -5.4678 -5.4665 -5.4665 -4.5455 -4.5455 -4.5455 -4.5455 -4.4976 -4.4976 4.0402 4.0402 5.1132 5.1132 5.3632 5.3632 5.3680 5.3680 5.4276 5.4276 5.9904 5.9904 5.9931 5.9931 9.7852 9.7852 9.8028 9.8028 9.8036 9.8036 14.2933 14.2933 16.2076 16.2076 16.2098 16.2098 17.8222 17.8222 k = 0.5000 0.5000 0.5000 ( 2608 PWs) bands (ev): -49.8573 -49.8573 -24.2878 -24.2878 -16.8442 -16.8442 -16.8442 -16.8442 -7.3088 -7.3088 -7.3088 -7.3088 -6.1196 -6.1196 -5.4665 -5.4665 -5.4665 -5.4665 -4.5453 -4.5453 -4.5453 -4.5453 -4.4973 -4.4973 4.0475 4.0475 5.1086 5.1086 5.3613 5.3613 5.3613 5.3613 5.4258 5.4258 5.9904 5.9904 5.9904 5.9904 9.7860 9.7860 9.8040 9.8040 9.8040 9.8040 14.2960 14.2960 16.2123 16.2123 16.2123 16.2123 17.8271 17.8271 Writing output data file HfPbO3.save init_run : 0.21s CPU 0.34s WALL ( 1 calls) electrons : 91.69s CPU 93.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 91.68s CPU 93.59s 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 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 294 calls) cegterg : 85.14s CPU 86.64s WALL ( 345 calls) Called by sum_band: Called by *egterg: h_psi : 37.19s CPU 38.25s WALL ( 5607 calls) s_psi : 2.61s CPU 2.67s WALL ( 5607 calls) g_psi : 0.14s CPU 0.14s WALL ( 4968 calls) cdiaghg : 41.12s CPU 41.59s WALL ( 5262 calls) cegterg:over : 3.50s CPU 3.68s WALL ( 4968 calls) cegterg:upda : 2.42s CPU 2.48s WALL ( 4968 calls) cegterg:last : 1.52s CPU 1.58s WALL ( 933 calls) cdiaghg:chol : 2.34s CPU 2.27s WALL ( 5262 calls) cdiaghg:inve : 1.60s CPU 1.58s WALL ( 5262 calls) cdiaghg:para : 2.62s CPU 2.54s WALL ( 10524 calls) Called by h_psi: h_psi:vloc : 31.27s CPU 32.13s WALL ( 5607 calls) h_psi:vnl : 5.80s CPU 5.99s WALL ( 5607 calls) add_vuspsi : 2.91s CPU 3.05s WALL ( 5607 calls) General routines calbec : 2.88s CPU 2.92s WALL ( 5607 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.07s CPU 29.85s WALL ( 663536 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 588 calls) Parallel routines fft_scatter : 14.78s CPU 15.27s WALL ( 663559 calls) PWSCF : 1m43.84s CPU 1m53.65s WALL This run was terminated on: 19:30:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=