Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:20: 9 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: ./Li9S3N.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 99 99 27 4445 4445 641 Max 100 100 28 4448 4448 646 Sum 3569 3569 981 160035 160035 23127 bravais-lattice index = 14 lattice parameter (alat) = 10.4220 a.u. unit-cell volume = 1132.0267 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.422028 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 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= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 160035 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.05 Mb ( 1144, 60) NL pseudopotentials 2.11 Mb ( 572, 242) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4448) G-vector shells 0.01 Mb ( 762) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.19 Mb ( 1144, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.44 Mb ( 242, 2, 60) The potential is recalculated from file : ./Li9S3N.save/charge-density.dat Starting wfc are 122 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.5 secs Computing kpt #: 8 total cpu time spent up to now is 15.2 secs Computing kpt #: 9 total cpu time spent up to now is 16.8 secs Computing kpt #: 10 total cpu time spent up to now is 18.4 secs Computing kpt #: 11 total cpu time spent up to now is 20.1 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 total cpu time spent up to now is 23.4 secs Computing kpt #: 14 total cpu time spent up to now is 24.9 secs Computing kpt #: 15 total cpu time spent up to now is 26.5 secs Computing kpt #: 16 total cpu time spent up to now is 28.0 secs Computing kpt #: 17 total cpu time spent up to now is 29.6 secs Computing kpt #: 18 total cpu time spent up to now is 31.2 secs Computing kpt #: 19 total cpu time spent up to now is 32.7 secs Computing kpt #: 20 total cpu time spent up to now is 34.3 secs Computing kpt #: 21 total cpu time spent up to now is 35.9 secs Computing kpt #: 22 total cpu time spent up to now is 37.5 secs Computing kpt #: 23 total cpu time spent up to now is 39.1 secs Computing kpt #: 24 total cpu time spent up to now is 40.7 secs Computing kpt #: 25 total cpu time spent up to now is 42.3 secs Computing kpt #: 26 total cpu time spent up to now is 43.9 secs Computing kpt #: 27 total cpu time spent up to now is 45.5 secs Computing kpt #: 28 total cpu time spent up to now is 47.1 secs Computing kpt #: 29 total cpu time spent up to now is 48.7 secs Computing kpt #: 30 total cpu time spent up to now is 50.3 secs Computing kpt #: 31 total cpu time spent up to now is 51.9 secs Computing kpt #: 32 total cpu time spent up to now is 53.6 secs Computing kpt #: 33 total cpu time spent up to now is 55.2 secs Computing kpt #: 34 total cpu time spent up to now is 56.9 secs Computing kpt #: 35 total cpu time spent up to now is 58.6 secs Computing kpt #: 36 total cpu time spent up to now is 60.3 secs Computing kpt #: 37 total cpu time spent up to now is 61.9 secs Computing kpt #: 38 total cpu time spent up to now is 63.2 secs Computing kpt #: 39 total cpu time spent up to now is 64.6 secs Computing kpt #: 40 total cpu time spent up to now is 65.9 secs Computing kpt #: 41 total cpu time spent up to now is 67.3 secs Computing kpt #: 42 total cpu time spent up to now is 68.6 secs Computing kpt #: 43 total cpu time spent up to now is 70.0 secs Computing kpt #: 44 total cpu time spent up to now is 71.3 secs Computing kpt #: 45 total cpu time spent up to now is 72.7 secs Computing kpt #: 46 total cpu time spent up to now is 74.1 secs Computing kpt #: 47 total cpu time spent up to now is 75.5 secs Computing kpt #: 48 total cpu time spent up to now is 76.8 secs Computing kpt #: 49 total cpu time spent up to now is 78.3 secs Computing kpt #: 50 total cpu time spent up to now is 79.7 secs Computing kpt #: 51 total cpu time spent up to now is 81.1 secs Computing kpt #: 52 total cpu time spent up to now is 82.6 secs Computing kpt #: 53 total cpu time spent up to now is 84.0 secs Computing kpt #: 54 total cpu time spent up to now is 85.5 secs Computing kpt #: 55 total cpu time spent up to now is 87.0 secs Computing kpt #: 56 total cpu time spent up to now is 88.5 secs Computing kpt #: 57 total cpu time spent up to now is 90.0 secs Computing kpt #: 58 total cpu time spent up to now is 91.7 secs Computing kpt #: 59 total cpu time spent up to now is 93.4 secs Computing kpt #: 60 total cpu time spent up to now is 95.1 secs Computing kpt #: 61 total cpu time spent up to now is 96.8 secs Computing kpt #: 62 total cpu time spent up to now is 98.5 secs Computing kpt #: 63 total cpu time spent up to now is 100.3 secs Computing kpt #: 64 total cpu time spent up to now is 102.0 secs Computing kpt #: 65 total cpu time spent up to now is 103.5 secs Computing kpt #: 66 total cpu time spent up to now is 105.0 secs Computing kpt #: 67 total cpu time spent up to now is 106.4 secs Computing kpt #: 68 total cpu time spent up to now is 107.9 secs Computing kpt #: 69 total cpu time spent up to now is 109.3 secs Computing kpt #: 70 total cpu time spent up to now is 110.7 secs Computing kpt #: 71 total cpu time spent up to now is 112.1 secs Computing kpt #: 72 total cpu time spent up to now is 113.5 secs Computing kpt #: 73 total cpu time spent up to now is 114.8 secs Computing kpt #: 74 total cpu time spent up to now is 116.2 secs Computing kpt #: 75 total cpu time spent up to now is 117.7 secs Computing kpt #: 76 total cpu time spent up to now is 119.3 secs Computing kpt #: 77 total cpu time spent up to now is 121.1 secs Computing kpt #: 78 total cpu time spent up to now is 123.6 secs Computing kpt #: 79 total cpu time spent up to now is 126.2 secs Computing kpt #: 80 total cpu time spent up to now is 128.1 secs Computing kpt #: 81 total cpu time spent up to now is 130.2 secs Computing kpt #: 82 total cpu time spent up to now is 132.3 secs Computing kpt #: 83 total cpu time spent up to now is 134.1 secs Computing kpt #: 84 total cpu time spent up to now is 136.0 secs Computing kpt #: 85 total cpu time spent up to now is 137.8 secs Computing kpt #: 86 total cpu time spent up to now is 139.6 secs Computing kpt #: 87 total cpu time spent up to now is 141.5 secs Computing kpt #: 88 total cpu time spent up to now is 143.6 secs Computing kpt #: 89 total cpu time spent up to now is 145.8 secs Computing kpt #: 90 total cpu time spent up to now is 148.0 secs Computing kpt #: 91 total cpu time spent up to now is 150.2 secs Computing kpt #: 92 total cpu time spent up to now is 152.4 secs Computing kpt #: 93 total cpu time spent up to now is 155.4 secs Computing kpt #: 94 total cpu time spent up to now is 157.9 secs Computing kpt #: 95 total cpu time spent up to now is 160.2 secs Computing kpt #: 96 total cpu time spent up to now is 162.4 secs Computing kpt #: 97 total cpu time spent up to now is 164.8 secs Computing kpt #: 98 total cpu time spent up to now is 166.8 secs Computing kpt #: 99 total cpu time spent up to now is 169.0 secs Computing kpt #: 100 total cpu time spent up to now is 170.5 secs Computing kpt #: 101 total cpu time spent up to now is 172.1 secs Computing kpt #: 102 total cpu time spent up to now is 173.3 secs Computing kpt #: 103 total cpu time spent up to now is 174.4 secs Computing kpt #: 104 total cpu time spent up to now is 175.6 secs Computing kpt #: 105 total cpu time spent up to now is 176.8 secs Computing kpt #: 106 total cpu time spent up to now is 178.4 secs Computing kpt #: 107 total cpu time spent up to now is 180.3 secs Computing kpt #: 108 total cpu time spent up to now is 182.3 secs Computing kpt #: 109 total cpu time spent up to now is 184.3 secs Computing kpt #: 110 total cpu time spent up to now is 186.1 secs Computing kpt #: 111 total cpu time spent up to now is 188.0 secs Computing kpt #: 112 total cpu time spent up to now is 190.1 secs Computing kpt #: 113 total cpu time spent up to now is 191.7 secs Computing kpt #: 114 total cpu time spent up to now is 193.3 secs Computing kpt #: 115 total cpu time spent up to now is 194.9 secs Computing kpt #: 116 total cpu time spent up to now is 196.5 secs Computing kpt #: 117 total cpu time spent up to now is 198.2 secs Computing kpt #: 118 total cpu time spent up to now is 199.8 secs Computing kpt #: 119 total cpu time spent up to now is 202.1 secs Computing kpt #: 120 total cpu time spent up to now is 203.8 secs Computing kpt #: 121 total cpu time spent up to now is 205.4 secs Computing kpt #: 122 total cpu time spent up to now is 207.7 secs Computing kpt #: 123 total cpu time spent up to now is 210.4 secs Computing kpt #: 124 total cpu time spent up to now is 212.7 secs Computing kpt #: 125 total cpu time spent up to now is 215.3 secs Computing kpt #: 126 total cpu time spent up to now is 217.5 secs Computing kpt #: 127 total cpu time spent up to now is 219.2 secs Computing kpt #: 128 total cpu time spent up to now is 220.9 secs Computing kpt #: 129 total cpu time spent up to now is 222.7 secs Computing kpt #: 130 total cpu time spent up to now is 224.3 secs Computing kpt #: 131 total cpu time spent up to now is 226.1 secs Computing kpt #: 132 total cpu time spent up to now is 227.8 secs Computing kpt #: 133 total cpu time spent up to now is 229.5 secs Computing kpt #: 134 total cpu time spent up to now is 231.2 secs Computing kpt #: 135 total cpu time spent up to now is 232.9 secs Computing kpt #: 136 total cpu time spent up to now is 234.6 secs Computing kpt #: 137 total cpu time spent up to now is 236.4 secs Computing kpt #: 138 total cpu time spent up to now is 238.1 secs Computing kpt #: 139 total cpu time spent up to now is 239.8 secs Computing kpt #: 140 total cpu time spent up to now is 241.6 secs Computing kpt #: 141 total cpu time spent up to now is 243.4 secs Computing kpt #: 142 total cpu time spent up to now is 245.2 secs Computing kpt #: 143 total cpu time spent up to now is 247.0 secs Computing kpt #: 144 total cpu time spent up to now is 248.9 secs Computing kpt #: 145 total cpu time spent up to now is 250.6 secs Computing kpt #: 146 total cpu time spent up to now is 252.3 secs Computing kpt #: 147 total cpu time spent up to now is 254.0 secs Computing kpt #: 148 total cpu time spent up to now is 255.8 secs Computing kpt #: 149 total cpu time spent up to now is 257.5 secs Computing kpt #: 150 total cpu time spent up to now is 259.2 secs Computing kpt #: 151 total cpu time spent up to now is 260.8 secs Computing kpt #: 152 total cpu time spent up to now is 262.5 secs Computing kpt #: 153 total cpu time spent up to now is 264.2 secs Computing kpt #: 154 total cpu time spent up to now is 265.9 secs Computing kpt #: 155 total cpu time spent up to now is 269.0 secs Computing kpt #: 156 total cpu time spent up to now is 272.1 secs Computing kpt #: 157 total cpu time spent up to now is 274.7 secs Computing kpt #: 158 total cpu time spent up to now is 277.3 secs Computing kpt #: 159 total cpu time spent up to now is 279.9 secs Computing kpt #: 160 total cpu time spent up to now is 282.1 secs Computing kpt #: 161 total cpu time spent up to now is 284.0 secs Computing kpt #: 162 total cpu time spent up to now is 285.9 secs Computing kpt #: 163 total cpu time spent up to now is 288.0 secs Computing kpt #: 164 total cpu time spent up to now is 290.0 secs Computing kpt #: 165 total cpu time spent up to now is 291.8 secs Computing kpt #: 166 total cpu time spent up to now is 293.7 secs Computing kpt #: 167 total cpu time spent up to now is 295.5 secs Computing kpt #: 168 total cpu time spent up to now is 297.2 secs Computing kpt #: 169 total cpu time spent up to now is 298.9 secs Computing kpt #: 170 total cpu time spent up to now is 300.7 secs Computing kpt #: 171 total cpu time spent up to now is 302.4 secs Computing kpt #: 172 total cpu time spent up to now is 304.2 secs Computing kpt #: 173 total cpu time spent up to now is 305.9 secs Computing kpt #: 174 total cpu time spent up to now is 307.6 secs Computing kpt #: 175 total cpu time spent up to now is 309.3 secs Computing kpt #: 176 total cpu time spent up to now is 310.7 secs Computing kpt #: 177 total cpu time spent up to now is 312.1 secs Computing kpt #: 178 total cpu time spent up to now is 313.5 secs Computing kpt #: 179 total cpu time spent up to now is 314.8 secs Computing kpt #: 180 total cpu time spent up to now is 316.1 secs Computing kpt #: 181 total cpu time spent up to now is 317.5 secs Computing kpt #: 182 total cpu time spent up to now is 320.8 secs Computing kpt #: 183 total cpu time spent up to now is 322.1 secs Computing kpt #: 184 total cpu time spent up to now is 323.5 secs Computing kpt #: 185 total cpu time spent up to now is 324.9 secs Computing kpt #: 186 total cpu time spent up to now is 326.2 secs Computing kpt #: 187 total cpu time spent up to now is 327.6 secs Computing kpt #: 188 total cpu time spent up to now is 329.0 secs Computing kpt #: 189 total cpu time spent up to now is 330.3 secs Computing kpt #: 190 total cpu time spent up to now is 331.9 secs Computing kpt #: 191 total cpu time spent up to now is 333.6 secs Computing kpt #: 192 total cpu time spent up to now is 335.2 secs Computing kpt #: 193 total cpu time spent up to now is 336.9 secs Computing kpt #: 194 total cpu time spent up to now is 338.5 secs Computing kpt #: 195 total cpu time spent up to now is 340.1 secs Computing kpt #: 196 total cpu time spent up to now is 341.8 secs Computing kpt #: 197 total cpu time spent up to now is 343.5 secs Computing kpt #: 198 total cpu time spent up to now is 345.2 secs Computing kpt #: 199 total cpu time spent up to now is 346.9 secs Computing kpt #: 200 total cpu time spent up to now is 348.7 secs Computing kpt #: 201 total cpu time spent up to now is 350.4 secs Computing kpt #: 202 total cpu time spent up to now is 352.2 secs Computing kpt #: 203 total cpu time spent up to now is 354.0 secs Computing kpt #: 204 total cpu time spent up to now is 355.8 secs Computing kpt #: 205 total cpu time spent up to now is 357.5 secs Computing kpt #: 206 total cpu time spent up to now is 359.2 secs Computing kpt #: 207 total cpu time spent up to now is 361.0 secs Computing kpt #: 208 total cpu time spent up to now is 362.8 secs Computing kpt #: 209 total cpu time spent up to now is 364.6 secs Computing kpt #: 210 total cpu time spent up to now is 366.3 secs Computing kpt #: 211 total cpu time spent up to now is 368.2 secs Computing kpt #: 212 total cpu time spent up to now is 370.0 secs Computing kpt #: 213 total cpu time spent up to now is 371.8 secs Computing kpt #: 214 total cpu time spent up to now is 373.7 secs Computing kpt #: 215 total cpu time spent up to now is 375.5 secs Computing kpt #: 216 total cpu time spent up to now is 377.4 secs Computing kpt #: 217 total cpu time spent up to now is 379.3 secs Computing kpt #: 218 total cpu time spent up to now is 381.1 secs Computing kpt #: 219 total cpu time spent up to now is 383.0 secs Computing kpt #: 220 total cpu time spent up to now is 385.1 secs Computing kpt #: 221 total cpu time spent up to now is 387.3 secs Computing kpt #: 222 total cpu time spent up to now is 389.5 secs Computing kpt #: 223 total cpu time spent up to now is 392.1 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 395.7 secs Computing kpt #: 225 total cpu time spent up to now is 397.4 secs ethr = 2.00E-08, avg # of iterations = 30.7 total cpu time spent up to now is 397.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 20005 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6300 -8.6300 -7.9643 -7.9643 -7.9643 -7.9643 -7.1337 -7.1337 -0.0051 -0.0051 -0.0051 -0.0051 0.0207 0.0207 1.1559 1.1559 1.1559 1.1559 1.1874 1.1874 1.8762 1.8762 1.9379 1.9379 1.9379 1.9379 3.5063 3.5063 3.5352 3.5352 3.5352 3.5352 5.9564 5.9564 5.9564 5.9564 6.3177 6.3177 6.9642 6.9642 8.8243 8.8243 k = 0.0000 0.0172-0.0000 ( 19997 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6296 -8.6296 -7.9648 -7.9648 -7.9643 -7.9643 -7.1338 -7.1338 -0.0046 -0.0046 -0.0041 -0.0041 0.0214 0.0214 1.1549 1.1549 1.1558 1.1558 1.1869 1.1869 1.8752 1.8752 1.9365 1.9365 1.9374 1.9374 3.5049 3.5049 3.5332 3.5332 3.5342 3.5342 5.9595 5.9595 5.9610 5.9610 6.3204 6.3204 6.9679 6.9679 8.8245 8.8245 k = 0.0000 0.0345-0.0000 ( 19977 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0606 -41.0606 -41.0606 -41.0606 -41.0235 -41.0235 -41.0235 -41.0235 -41.0234 -41.0234 -40.9889 -40.9889 -8.6284 -8.6284 -7.9663 -7.9663 -7.9641 -7.9641 -7.1338 -7.1338 -0.0030 -0.0030 -0.0011 -0.0011 0.0238 0.0238 1.1518 1.1518 1.1556 1.1556 1.1855 1.1855 1.8722 1.8722 1.9323 1.9323 1.9358 1.9358 3.5005 3.5005 3.5278 3.5278 3.5314 3.5314 5.9689 5.9689 5.9748 5.9748 6.3287 6.3287 6.9790 6.9790 8.8249 8.8249 k = 0.0000 0.0517-0.0000 ( 19977 PWs) bands (ev): -42.6525 -42.6525 -41.1009 -41.1009 -41.0607 -41.0607 -41.0606 -41.0606 -41.0606 -41.0606 -41.0235 -41.0235 -41.0235 -41.0235 -41.0234 -41.0234 -40.9889 -40.9889 -8.6265 -8.6265 -7.9688 -7.9688 -7.9639 -7.9639 -7.1339 -7.1339 -0.0005 -0.0005 0.0038 0.0038 0.0280 0.0280 1.1463 1.1463 1.1551 1.1551 1.1836 1.1836 1.8669 1.8669 1.9257 1.9257 1.9332 1.9332 3.4926 3.4926 3.5195 3.5195 3.5267 3.5267 5.9843 5.9843 5.9977 5.9977 6.3427 6.3427 6.9971 6.9971 8.8256 8.8256 k = 0.0000 0.0690-0.0000 ( 19977 PWs) bands (ev): -42.6525 -42.6525 -41.1009 -41.1009 -41.0608 -41.0608 -41.0605 -41.0605 -41.0605 -41.0605 -41.0236 -41.0236 -41.0236 -41.0236 -41.0233 -41.0233 -40.9890 -40.9890 -8.6238 -8.6238 -7.9724 -7.9724 -7.9636 -7.9636 -7.1340 -7.1340 0.0031 0.0031 0.0101 0.0101 0.0343 0.0343 1.1381 1.1381 1.1545 1.1545 1.1815 1.1815 1.8591 1.8591 1.9172 1.9172 1.9296 1.9296 3.4801 3.4801 3.5096 3.5096 3.5203 3.5203 6.0055 6.0055 6.0295 6.0295 6.3623 6.3623 7.0221 7.0221 8.8266 8.8266 k = 0.0000 0.0862-0.0000 ( 19973 PWs) bands (ev): -42.6525 -42.6525 -41.1008 -41.1008 -41.0609 -41.0609 -41.0605 -41.0605 -41.0605 -41.0605 -41.0236 -41.0236 -41.0236 -41.0236 -41.0233 -41.0233 -40.9891 -40.9891 -8.6203 -8.6203 -7.9768 -7.9768 -7.9632 -7.9632 -7.1341 -7.1341 0.0076 0.0076 0.0174 0.0174 0.0430 0.0430 1.1272 1.1272 1.1536 1.1536 1.1796 1.1796 1.8481 1.8481 1.9074 1.9074 1.9252 1.9252 3.4627 3.4627 3.4990 3.4990 3.5121 3.5121 6.0322 6.0322 6.0701 6.0701 6.3877 6.3877 7.0536 7.0536 8.8279 8.8279 k = 0.0000 0.1034-0.0000 ( 19989 PWs) bands (ev): -42.6525 -42.6525 -41.1007 -41.1007 -41.0610 -41.0610 -41.0604 -41.0604 -41.0604 -41.0604 -41.0237 -41.0237 -41.0237 -41.0237 -41.0232 -41.0232 -40.9892 -40.9892 -8.6161 -8.6161 -7.9823 -7.9823 -7.9627 -7.9627 -7.1342 -7.1342 0.0131 0.0131 0.0253 0.0253 0.0546 0.0546 1.1137 1.1137 1.1525 1.1525 1.1777 1.1777 1.8336 1.8336 1.8970 1.8970 1.9198 1.9198 3.4407 3.4407 3.4879 3.4879 3.5024 3.5024 6.0641 6.0641 6.1192 6.1192 6.4190 6.4190 7.0909 7.0909 8.8294 8.8294 k = 0.0000 0.1207-0.0000 ( 19973 PWs) bands (ev): -42.6525 -42.6525 -41.1006 -41.1006 -41.0611 -41.0611 -41.0603 -41.0603 -41.0603 -41.0603 -41.0238 -41.0238 -41.0238 -41.0238 -41.0231 -41.0231 -40.9892 -40.9892 -8.6112 -8.6112 -7.9886 -7.9886 -7.9621 -7.9621 -7.1344 -7.1344 0.0196 0.0196 0.0337 0.0337 0.0691 0.0691 1.0979 1.0979 1.1510 1.1510 1.1759 1.1759 1.8153 1.8153 1.8866 1.8866 1.9138 1.9138 3.4150 3.4150 3.4761 3.4761 3.4912 3.4912 6.1006 6.1006 6.1765 6.1765 6.4564 6.4564 7.1337 7.1337 8.8311 8.8311 k = 0.0000 0.1379-0.0000 ( 19953 PWs) bands (ev): -42.6525 -42.6525 -41.1004 -41.1004 -41.0612 -41.0612 -41.0601 -41.0601 -41.0601 -41.0601 -41.0239 -41.0239 -41.0239 -41.0239 -41.0230 -41.0230 -40.9893 -40.9893 -8.6055 -8.6055 -7.9959 -7.9959 -7.9615 -7.9615 -7.1345 -7.1345 0.0269 0.0269 0.0425 0.0425 0.0863 0.0863 1.0801 1.0801 1.1492 1.1492 1.1739 1.1739 1.7931 1.7931 1.8764 1.8764 1.9070 1.9070 3.3861 3.3861 3.4633 3.4633 3.4788 3.4788 6.1413 6.1413 6.2417 6.2417 6.4999 6.4999 7.1811 7.1811 8.8331 8.8331 k = 0.0000 0.1552-0.0000 ( 19965 PWs) bands (ev): -42.6525 -42.6525 -41.1003 -41.1003 -41.0614 -41.0614 -41.0600 -41.0600 -41.0600 -41.0600 -41.0241 -41.0241 -41.0241 -41.0241 -41.0229 -41.0229 -40.9894 -40.9894 -8.5991 -8.5991 -8.0040 -8.0040 -7.9608 -7.9608 -7.1347 -7.1347 0.0350 0.0350 0.0519 0.0519 0.1062 0.1062 1.0607 1.0607 1.1470 1.1470 1.1718 1.1718 1.7674 1.7674 1.8665 1.8665 1.8997 1.8997 3.3548 3.3548 3.4497 3.4497 3.4652 3.4652 6.1858 6.1858 6.3144 6.3144 6.5495 6.5495 7.2325 7.2325 8.8352 8.8352 k = 0.0000 0.1724-0.0000 ( 19966 PWs) bands (ev): -42.6525 -42.6525 -41.1002 -41.1002 -41.0615 -41.0615 -41.0599 -41.0599 -41.0599 -41.0599 -41.0242 -41.0242 -41.0242 -41.0242 -41.0228 -41.0228 -40.9896 -40.9896 -8.5920 -8.5920 -8.0129 -8.0129 -7.9600 -7.9600 -7.1349 -7.1349 0.0438 0.0438 0.0620 0.0620 0.1285 0.1285 1.0401 1.0401 1.1444 1.1444 1.1694 1.1694 1.7387 1.7387 1.8567 1.8567 1.8920 1.8920 3.3217 3.3217 3.4353 3.4353 3.4507 3.4507 6.2336 6.2336 6.3943 6.3943 6.6054 6.6054 7.2871 7.2871 8.8375 8.8375 k = 0.0000 0.1897-0.0000 ( 19962 PWs) bands (ev): -42.6525 -42.6525 -41.1000 -41.1000 -41.0617 -41.0617 -41.0598 -41.0598 -41.0598 -41.0598 -41.0244 -41.0244 -41.0244 -41.0244 -41.0226 -41.0226 -40.9897 -40.9897 -8.5843 -8.5843 -8.0226 -8.0226 -7.9592 -7.9592 -7.1351 -7.1351 0.0534 0.0534 0.0726 0.0726 0.1531 0.1531 1.0184 1.0184 1.1413 1.1413 1.1666 1.1666 1.7071 1.7071 1.8470 1.8470 1.8840 1.8840 3.2873 3.2873 3.4203 3.4203 3.4354 3.4354 6.2845 6.2845 6.4810 6.4810 6.6673 6.6673 7.3442 7.3442 8.8400 8.8400 k = 0.0000 0.2069-0.0000 ( 19954 PWs) bands (ev): -42.6525 -42.6525 -41.0998 -41.0998 -41.0618 -41.0618 -41.0596 -41.0596 -41.0596 -41.0596 -41.0245 -41.0245 -41.0245 -41.0245 -41.0225 -41.0225 -40.9898 -40.9898 -8.5760 -8.5760 -8.0330 -8.0330 -7.9584 -7.9584 -7.1353 -7.1353 0.0636 0.0636 0.0838 0.0838 0.1799 0.1799 0.9962 0.9962 1.1376 1.1376 1.1635 1.1635 1.6732 1.6732 1.8375 1.8375 1.8758 1.8758 3.2521 3.2521 3.4047 3.4047 3.4195 3.4195 6.3381 6.3381 6.5740 6.5740 6.7350 6.7350 7.4028 7.4028 8.8425 8.8425 k = 0.0000 0.2241-0.0000 ( 19986 PWs) bands (ev): -42.6525 -42.6525 -41.0996 -41.0996 -41.0620 -41.0620 -41.0594 -41.0594 -41.0594 -41.0594 -41.0247 -41.0247 -41.0247 -41.0247 -41.0224 -41.0224 -40.9900 -40.9900 -8.5670 -8.5670 -8.0441 -8.0441 -7.9575 -7.9575 -7.1354 -7.1354 0.0743 0.0743 0.0955 0.0955 0.2087 0.2087 0.9736 0.9736 1.1334 1.1334 1.1599 1.1599 1.6372 1.6372 1.8282 1.8282 1.8676 1.8676 3.2165 3.2165 3.3888 3.3888 3.4032 3.4032 6.3942 6.3942 6.6728 6.6728 6.8081 6.8081 7.4622 7.4622 8.8452 8.8452 k = 0.0000 0.2414-0.0000 ( 19990 PWs) bands (ev): -42.6525 -42.6525 -41.0995 -41.0995 -41.0622 -41.0622 -41.0593 -41.0593 -41.0593 -41.0593 -41.0248 -41.0248 -41.0248 -41.0248 -41.0222 -41.0222 -40.9901 -40.9901 -8.5575 -8.5575 -8.0558 -8.0558 -7.9567 -7.9567 -7.1356 -7.1356 0.0854 0.0854 0.1077 0.1077 0.2395 0.2395 0.9510 0.9510 1.1287 1.1287 1.1559 1.1559 1.5992 1.5992 1.8192 1.8192 1.8594 1.8594 3.1810 3.1810 3.3728 3.3728 3.3867 3.3867 6.4527 6.4527 6.7771 6.7771 6.8863 6.8863 7.5214 7.5214 8.8479 8.8479 k = 0.0000 0.2586-0.0000 ( 19986 PWs) bands (ev): -42.6525 -42.6525 -41.0993 -41.0993 -41.0624 -41.0624 -41.0591 -41.0591 -41.0591 -41.0591 -41.0250 -41.0250 -41.0250 -41.0250 -41.0221 -41.0221 -40.9903 -40.9903 -8.5475 -8.5475 -8.0680 -8.0680 -7.9558 -7.9558 -7.1358 -7.1358 0.0969 0.0969 0.1202 0.1202 0.2720 0.2720 0.9285 0.9285 1.1234 1.1234 1.1514 1.1514 1.5597 1.5597 1.8104 1.8104 1.8514 1.8514 3.1461 3.1461 3.3568 3.3568 3.3702 3.3702 6.5134 6.5134 6.8864 6.8864 6.9688 6.9688 7.5796 7.5796 8.8506 8.8506 k = 0.0000 0.2759-0.0000 ( 19982 PWs) bands (ev): -42.6525 -42.6525 -41.0991 -41.0991 -41.0626 -41.0626 -41.0589 -41.0589 -41.0589 -41.0589 -41.0252 -41.0252 -41.0252 -41.0252 -41.0219 -41.0219 -40.9904 -40.9904 -8.5370 -8.5370 -8.0807 -8.0807 -7.9549 -7.9549 -7.1360 -7.1360 0.1086 0.1086 0.1329 0.1329 0.3063 0.3063 0.9066 0.9066 1.1176 1.1176 1.1465 1.1465 1.5186 1.5186 1.8021 1.8021 1.8438 1.8438 3.1120 3.1120 3.3409 3.3409 3.3539 3.3539 6.5762 6.5762 7.0000 7.0000 7.0548 7.0548 7.6361 7.6361 8.8533 8.8533 k = 0.0000 0.2931-0.0000 ( 19954 PWs) bands (ev): -42.6524 -42.6524 -41.0989 -41.0989 -41.0628 -41.0628 -41.0588 -41.0588 -41.0588 -41.0588 -41.0253 -41.0253 -41.0253 -41.0253 -41.0218 -41.0218 -40.9905 -40.9905 -8.5261 -8.5261 -8.0937 -8.0937 -7.9541 -7.9541 -7.1361 -7.1361 0.1204 0.1204 0.1458 0.1458 0.3422 0.3422 0.8853 0.8853 1.1113 1.1113 1.1412 1.1412 1.4764 1.4764 1.7943 1.7943 1.8365 1.8365 3.0792 3.0792 3.3255 3.3255 3.3379 3.3379 6.6410 6.6410 7.1174 7.1174 7.1432 7.1432 7.6904 7.6904 8.8560 8.8560 k = 0.0000 0.3103-0.0000 ( 19970 PWs) bands (ev): -42.6525 -42.6525 -41.0987 -41.0987 -41.0629 -41.0629 -41.0586 -41.0586 -41.0586 -41.0586 -41.0255 -41.0255 -41.0255 -41.0255 -41.0216 -41.0216 -40.9907 -40.9907 -8.5148 -8.5148 -8.1070 -8.1070 -7.9532 -7.9532 -7.1363 -7.1363 0.1321 0.1321 0.1586 0.1586 0.3795 0.3795 0.8650 0.8650 1.1046 1.1046 1.1356 1.1356 1.4331 1.4331 1.7871 1.7871 1.8297 1.8297 3.0479 3.0479 3.3105 3.3105 3.3225 3.3225 6.7077 6.7077 7.2326 7.2326 7.2379 7.2379 7.7423 7.7423 8.8586 8.8586 k = 0.0000 0.3276-0.0000 ( 19978 PWs) bands (ev): -42.6525 -42.6525 -41.0985 -41.0985 -41.0631 -41.0631 -41.0584 -41.0584 -41.0584 -41.0584 -41.0257 -41.0257 -41.0257 -41.0257 -41.0215 -41.0215 -40.9908 -40.9908 -8.5033 -8.5033 -8.1205 -8.1205 -7.9524 -7.9524 -7.1364 -7.1364 0.1436 0.1436 0.1712 0.1712 0.4181 0.4181 0.8459 0.8459 1.0976 1.0976 1.1297 1.1297 1.3889 1.3889 1.7805 1.7805 1.8235 1.8235 3.0184 3.0184 3.2963 3.2963 3.3078 3.3078 6.7759 6.7759 7.3207 7.3207 7.3608 7.3608 7.7923 7.7923 8.8611 8.8611 k = 0.0000 0.3448-0.0000 ( 19978 PWs) bands (ev): -42.6525 -42.6525 -41.0984 -41.0984 -41.0633 -41.0633 -41.0583 -41.0583 -41.0583 -41.0583 -41.0258 -41.0258 -41.0258 -41.0258 -41.0214 -41.0214 -40.9910 -40.9910 -8.4917 -8.4917 -8.1340 -8.1340 -7.9517 -7.9517 -7.1365 -7.1365 0.1547 0.1547 0.1835 0.1835 0.4579 0.4579 0.8280 0.8280 1.0904 1.0904 1.1237 1.1237 1.3441 1.3441 1.7745 1.7745 1.8178 1.8178 2.9910 2.9910 3.2829 3.2829 3.2940 3.2940 6.8456 6.8456 7.4043 7.4043 7.4850 7.4850 7.8421 7.8421 8.8634 8.8634 k = 0.0000 0.3621-0.0000 ( 20006 PWs) bands (ev): -42.6525 -42.6525 -41.0982 -41.0982 -41.0635 -41.0635 -41.0582 -41.0582 -41.0582 -41.0582 -41.0260 -41.0260 -41.0260 -41.0260 -41.0213 -41.0213 -40.9911 -40.9911 -8.4800 -8.4800 -8.1474 -8.1474 -7.9510 -7.9510 -7.1366 -7.1366 0.1653 0.1653 0.1952 0.1952 0.4986 0.4986 0.8116 0.8116 1.0832 1.0832 1.1177 1.1177 1.2988 1.2988 1.7692 1.7692 1.8128 1.8128 2.9659 2.9659 3.2705 3.2705 3.2812 3.2812 6.9162 6.9162 7.4787 7.4787 7.6094 7.6094 7.8950 7.8950 8.8656 8.8656 k = 0.0000 0.3793-0.0000 ( 19998 PWs) bands (ev): -42.6525 -42.6525 -41.0981 -41.0981 -41.0636 -41.0636 -41.0580 -41.0580 -41.0580 -41.0580 -41.0261 -41.0261 -41.0261 -41.0261 -41.0212 -41.0212 -40.9912 -40.9912 -8.4685 -8.4685 -8.1605 -8.1605 -7.9503 -7.9503 -7.1367 -7.1367 0.1752 0.1752 0.2062 0.2062 0.5400 0.5400 0.7968 0.7968 1.0761 1.0761 1.1118 1.1118 1.2534 1.2534 1.7645 1.7645 1.8084 1.8084 2.9433 2.9433 3.2593 3.2593 3.2696 3.2696 6.9876 6.9876 7.5383 7.5383 7.7324 7.7324 7.9551 7.9551 8.8676 8.8676 k = 0.0000 0.3966-0.0000 ( 19978 PWs) bands (ev): -42.6525 -42.6525 -41.0980 -41.0980 -41.0637 -41.0637 -41.0579 -41.0579 -41.0579 -41.0579 -41.0262 -41.0262 -41.0262 -41.0262 -41.0211 -41.0211 -40.9913 -40.9913 -8.4574 -8.4574 -8.1731 -8.1731 -7.9498 -7.9498 -7.1368 -7.1368 0.1842 0.1842 0.2162 0.2162 0.5817 0.5817 0.7837 0.7837 1.0694 1.0694 1.1063 1.1063 1.2082 1.2082 1.7606 1.7606 1.8046 1.8046 2.9234 2.9234 3.2493 3.2493 3.2592 3.2592 7.0591 7.0591 7.5782 7.5782 7.8521 7.8521 8.0261 8.0261 8.8694 8.8694 k = 0.0000 0.4138-0.0000 ( 19998 PWs) bands (ev): -42.6525 -42.6525 -41.0978 -41.0978 -41.0638 -41.0638 -41.0578 -41.0578 -41.0578 -41.0578 -41.0263 -41.0263 -41.0263 -41.0263 -41.0210 -41.0210 -40.9914 -40.9914 -8.4469 -8.4469 -8.1849 -8.1849 -7.9493 -7.9493 -7.1369 -7.1369 0.1922 0.1922 0.2252 0.2252 0.6234 0.6234 0.7725 0.7725 1.0631 1.0631 1.1012 1.1012 1.1637 1.1637 1.7573 1.7573 1.8014 1.8014 2.9063 2.9063 3.2406 3.2406 3.2503 3.2503 7.1301 7.1301 7.5972 7.5972 7.9658 7.9658 8.1080 8.1080 8.8709 8.8709 k = 0.0000 0.4310-0.0000 ( 20014 PWs) bands (ev): -42.6525 -42.6525 -41.0978 -41.0978 -41.0639 -41.0639 -41.0577 -41.0577 -41.0577 -41.0577 -41.0264 -41.0264 -41.0264 -41.0264 -41.0209 -41.0209 -40.9915 -40.9915 -8.4373 -8.4373 -8.1955 -8.1955 -7.9488 -7.9488 -7.1369 -7.1369 0.1989 0.1989 0.2328 0.2328 0.6642 0.6642 0.7631 0.7631 1.0574 1.0574 1.0968 1.0968 1.1209 1.1209 1.7546 1.7546 1.7989 1.7989 2.8921 2.8921 3.2334 3.2334 3.2428 3.2428 7.1998 7.1998 7.5971 7.5971 8.0700 8.0700 8.1975 8.1975 8.8722 8.8722 k = 0.0000 0.4483-0.0000 ( 20006 PWs) bands (ev): -42.6525 -42.6525 -41.0977 -41.0977 -41.0640 -41.0640 -41.0577 -41.0577 -41.0577 -41.0577 -41.0265 -41.0265 -41.0265 -41.0265 -41.0208 -41.0208 -40.9915 -40.9915 -8.4291 -8.4291 -8.2045 -8.2045 -7.9485 -7.9485 -7.1370 -7.1370 0.2044 0.2044 0.2389 0.2389 0.7028 0.7028 0.7558 0.7558 1.0515 1.0515 1.0819 1.0819 1.0932 1.0932 1.7526 1.7526 1.7969 1.7969 2.8810 2.8810 3.2277 3.2277 3.2369 3.2369 7.2673 7.2673 7.5812 7.5812 8.1602 8.1602 8.2889 8.2889 8.8732 8.8732 k = 0.0000 0.4655-0.0000 ( 20010 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0265 -41.0265 -41.0265 -41.0265 -41.0208 -41.0208 -40.9916 -40.9916 -8.4228 -8.4228 -8.2114 -8.2114 -7.9483 -7.9483 -7.1370 -7.1370 0.2083 0.2083 0.2434 0.2434 0.7369 0.7369 0.7506 0.7506 1.0378 1.0378 1.0568 1.0568 1.0905 1.0905 1.7511 1.7511 1.7955 1.7955 2.8730 2.8730 3.2236 3.2236 3.2327 3.2327 7.3310 7.3310 7.5529 7.5529 8.2309 8.2309 8.3738 8.3738 8.8740 8.8740 k = 0.0000 0.4828-0.0000 ( 20018 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0265 -41.0265 -41.0265 -41.0265 -41.0208 -41.0208 -40.9916 -40.9916 -8.4187 -8.4187 -8.2158 -8.2158 -7.9481 -7.9481 -7.1370 -7.1370 0.2107 0.2107 0.2461 0.2461 0.7474 0.7474 0.7621 0.7621 1.0153 1.0153 1.0514 1.0514 1.0889 1.0889 1.7503 1.7503 1.7947 1.7947 2.8682 2.8682 3.2211 3.2211 3.2301 3.2301 7.3872 7.3872 7.5174 7.5174 8.2765 8.2765 8.4388 8.4388 8.8744 8.8744 k = 0.0000 0.5000-0.0000 ( 20058 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9916 -40.9916 -8.4173 -8.4173 -8.2173 -8.2173 -7.9481 -7.9481 -7.1370 -7.1370 0.2115 0.2115 0.2470 0.2470 0.7463 0.7463 0.7717 0.7717 1.0059 1.0059 1.0502 1.0502 1.0883 1.0883 1.7500 1.7500 1.7944 1.7944 2.8666 2.8666 3.2203 3.2203 3.2292 3.2292 7.4180 7.4180 7.4935 7.4935 8.2923 8.2923 8.4644 8.4644 8.8746 8.8746 k = 0.0000 0.5000-0.0000 ( 20058 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9916 -40.9916 -8.4173 -8.4173 -8.2173 -8.2173 -7.9481 -7.9481 -7.1370 -7.1370 0.2115 0.2115 0.2470 0.2470 0.7463 0.7463 0.7717 0.7717 1.0059 1.0059 1.0502 1.0502 1.0883 1.0883 1.7500 1.7500 1.7944 1.7944 2.8666 2.8666 3.2203 3.2203 3.2292 3.2292 7.4180 7.4180 7.4935 7.4935 8.2923 8.2923 8.4644 8.4644 8.8746 8.8746 k = 0.0172 0.5000-0.0000 ( 20018 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9916 -40.9916 -8.4170 -8.4170 -8.2173 -8.2173 -7.9485 -7.9485 -7.1370 -7.1370 0.2105 0.2105 0.2460 0.2460 0.7402 0.7402 0.7758 0.7758 0.9917 0.9917 1.0595 1.0595 1.0990 1.0990 1.7482 1.7482 1.7925 1.7925 2.8692 2.8692 3.2201 3.2201 3.2291 3.2291 7.4214 7.4214 7.4964 7.4964 8.2927 8.2927 8.4635 8.4635 8.8775 8.8775 k = 0.0345 0.5000-0.0000 ( 20018 PWs) bands (ev): -42.6525 -42.6525 -41.0975 -41.0975 -41.0641 -41.0641 -41.0576 -41.0576 -41.0575 -41.0575 -41.0266 -41.0266 -41.0265 -41.0265 -41.0208 -41.0208 -40.9916 -40.9916 -8.4160 -8.4160 -8.2171 -8.2171 -7.9496 -7.9496 -7.1371 -7.1371 0.2067 0.2067 0.2442 0.2442 0.7234 0.7234 0.7868 0.7868 0.9697 0.9697 1.0662 1.0662 1.1311 1.1311 1.7427 1.7427 1.7870 1.7870 2.8767 2.8767 3.2197 3.2197 3.2288 3.2288 7.4317 7.4317 7.5052 7.5052 8.2941 8.2941 8.4610 8.4610 8.8864 8.8864 k = 0.0517 0.5000-0.0000 ( 20018 PWs) bands (ev): -42.6525 -42.6525 -41.0975 -41.0975 -41.0640 -41.0640 -41.0577 -41.0577 -41.0575 -41.0575 -41.0266 -41.0266 -41.0265 -41.0265 -41.0208 -41.0208 -40.9917 -40.9917 -8.4144 -8.4144 -8.2168 -8.2168 -7.9514 -7.9514 -7.1371 -7.1371 0.1982 0.1982 0.2439 0.2439 0.6980 0.6980 0.8033 0.8033 0.9506 0.9506 1.0688 1.0688 1.1737 1.1737 1.7339 1.7339 1.7782 1.7782 2.8888 2.8888 3.2190 3.2190 3.2284 3.2284 7.4489 7.4489 7.5198 7.5198 8.2961 8.2961 8.4567 8.4567 8.9012 8.9012 k = 0.0690 0.5000-0.0000 ( 20024 PWs) bands (ev): -42.6525 -42.6525 -41.0974 -41.0974 -41.0640 -41.0640 -41.0577 -41.0577 -41.0575 -41.0575 -41.0267 -41.0267 -41.0264 -41.0264 -41.0209 -41.0209 -40.9917 -40.9917 -8.4122 -8.4122 -8.2164 -8.2164 -7.9540 -7.9540 -7.1372 -7.1372 0.1849 0.1849 0.2465 0.2465 0.6662 0.6662 0.8242 0.8242 0.9351 0.9351 1.0706 1.0706 1.2207 1.2207 1.7221 1.7221 1.7666 1.7666 2.9050 2.9050 3.2176 3.2176 3.2281 3.2281 7.4727 7.4727 7.5402 7.5402 8.2986 8.2986 8.4505 8.4505 8.9217 8.9217 k = 0.0862 0.5000-0.0000 ( 20022 PWs) bands (ev): -42.6525 -42.6525 -41.0974 -41.0974 -41.0639 -41.0639 -41.0578 -41.0578 -41.0574 -41.0574 -41.0268 -41.0268 -41.0264 -41.0264 -41.0210 -41.0210 -40.9918 -40.9918 -8.4094 -8.4094 -8.2159 -8.2159 -7.9573 -7.9573 -7.1373 -7.1373 0.1678 0.1678 0.2518 0.2518 0.6300 0.6300 0.8480 0.8480 0.9221 0.9221 1.0722 1.0722 1.2700 1.2700 1.7079 1.7079 1.7526 1.7526 2.9245 2.9245 3.2157 3.2157 3.2281 3.2281 7.5031 7.5031 7.5663 7.5663 8.3013 8.3013 8.4423 8.4423 8.9478 8.9478 k = 0.1034 0.5000-0.0000 ( 20018 PWs) bands (ev): -42.6525 -42.6525 -41.0973 -41.0973 -41.0638 -41.0638 -41.0579 -41.0579 -41.0573 -41.0573 -41.0268 -41.0268 -41.0263 -41.0263 -41.0210 -41.0210 -40.9919 -40.9919 -8.4059 -8.4059 -8.2153 -8.2153 -7.9612 -7.9612 -7.1374 -7.1374 0.1485 0.1485 0.2592 0.2592 0.5914 0.5914 0.8732 0.8732 0.9108 0.9108 1.0740 1.0740 1.3206 1.3206 1.6924 1.6924 1.7368 1.7368 2.9468 2.9468 3.2131 3.2131 3.2283 3.2283 7.5399 7.5399 7.5982 7.5982 8.3037 8.3037 8.4319 8.4319 8.9214 8.9214 k = 0.1207 0.5000-0.0000 ( 19994 PWs) bands (ev): -42.6525 -42.6525 -41.0971 -41.0971 -41.0637 -41.0637 -41.0580 -41.0580 -41.0572 -41.0572 -41.0269 -41.0269 -41.0262 -41.0262 -41.0211 -41.0211 -40.9920 -40.9920 -8.4018 -8.4018 -8.2146 -8.2146 -7.9659 -7.9659 -7.1376 -7.1376 0.1280 0.1280 0.2685 0.2685 0.5515 0.5515 0.8973 0.8973 0.9014 0.9014 1.0759 1.0759 1.3719 1.3719 1.6765 1.6765 1.7195 1.7195 2.9709 2.9709 3.2099 3.2099 3.2289 3.2289 7.5827 7.5827 7.6357 7.6357 8.3051 8.3051 8.4191 8.4191 8.8867 8.8867 k = 0.1379 0.5000-0.0000 ( 19998 PWs) bands (ev): -42.6525 -42.6525 -41.0970 -41.0970 -41.0636 -41.0636 -41.0581 -41.0581 -41.0571 -41.0571 -41.0271 -41.0271 -41.0261 -41.0261 -41.0212 -41.0212 -40.9921 -40.9921 -8.3971 -8.3971 -8.2138 -8.2138 -7.9713 -7.9713 -7.1377 -7.1377 0.1070 0.1070 0.2794 0.2794 0.5113 0.5113 0.8898 0.8898 0.9222 0.9222 1.0780 1.0780 1.4233 1.4233 1.6609 1.6609 1.7018 1.7018 2.9963 2.9963 3.2062 3.2062 3.2297 3.2297 7.6313 7.6313 7.6789 7.6789 8.3048 8.3048 8.4039 8.4039 8.8535 8.8535 k = 0.1552 0.5000-0.0000 ( 20002 PWs) bands (ev): -42.6525 -42.6525 -41.0969 -41.0969 -41.0635 -41.0635 -41.0583 -41.0583 -41.0570 -41.0570 -41.0272 -41.0272 -41.0260 -41.0260 -41.0214 -41.0214 -40.9922 -40.9922 -8.3918 -8.3918 -8.2129 -8.2129 -7.9773 -7.9773 -7.1379 -7.1379 0.0862 0.0862 0.2918 0.2918 0.4715 0.4715 0.8797 0.8797 0.9425 0.9425 1.0803 1.0803 1.4744 1.4744 1.6453 1.6453 1.6858 1.6858 3.0223 3.0223 3.2020 3.2020 3.2307 3.2307 7.6853 7.6853 7.7276 7.7276 8.3022 8.3022 8.3859 8.3859 8.8236 8.8236 k = 0.1724 0.5000-0.0000 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0967 -41.0967 -41.0634 -41.0634 -41.0584 -41.0584 -41.0568 -41.0568 -41.0273 -41.0273 -41.0259 -41.0259 -41.0215 -41.0215 -40.9923 -40.9923 -8.3859 -8.3859 -8.2120 -8.2120 -7.9839 -7.9839 -7.1381 -7.1381 0.0659 0.0659 0.3057 0.3057 0.4325 0.4325 0.8695 0.8695 0.9583 0.9583 1.0826 1.0826 1.5247 1.5247 1.6278 1.6278 1.6751 1.6751 3.0484 3.0484 3.1974 3.1974 3.2320 3.2320 7.7439 7.7439 7.7816 7.7816 8.2967 8.2967 8.3651 8.3651 8.7987 8.7987 k = 0.1897 0.5000-0.0000 ( 19998 PWs) bands (ev): -42.6524 -42.6524 -41.0966 -41.0966 -41.0632 -41.0632 -41.0586 -41.0586 -41.0567 -41.0567 -41.0274 -41.0274 -41.0257 -41.0257 -41.0216 -41.0216 -40.9924 -40.9924 -8.3795 -8.3795 -8.2110 -8.2110 -7.9912 -7.9912 -7.1383 -7.1383 0.0464 0.0464 0.3205 0.3205 0.3949 0.3949 0.8592 0.8592 0.9685 0.9685 1.0849 1.0849 1.5714 1.5714 1.6090 1.6090 1.6730 1.6730 3.0739 3.0739 3.1926 3.1926 3.2336 3.2336 7.8064 7.8064 7.8409 7.8409 8.2883 8.2883 8.3416 8.3416 8.7801 8.7801 k = 0.2069 0.5000-0.0000 ( 19994 PWs) bands (ev): -42.6524 -42.6524 -41.0964 -41.0964 -41.0631 -41.0631 -41.0588 -41.0588 -41.0565 -41.0565 -41.0276 -41.0276 -41.0256 -41.0256 -41.0218 -41.0218 -40.9926 -40.9926 -8.3725 -8.3725 -8.2100 -8.2100 -7.9990 -7.9990 -7.1385 -7.1385 0.0281 0.0281 0.3340 0.3340 0.3613 0.3613 0.8487 0.8487 0.9724 0.9724 1.0873 1.0873 1.5750 1.5750 1.6287 1.6287 1.6798 1.6798 3.0986 3.0986 3.1875 3.1875 3.2353 3.2353 7.8710 7.8710 7.9053 7.9053 8.2782 8.2782 8.3153 8.3153 8.7683 8.7683 k = 0.2241 0.5000-0.0000 ( 19972 PWs) bands (ev): -42.6524 -42.6524 -41.0962 -41.0962 -41.0629 -41.0629 -41.0590 -41.0590 -41.0564 -41.0564 -41.0277 -41.0277 -41.0255 -41.0255 -41.0219 -41.0219 -40.9927 -40.9927 -8.3650 -8.3650 -8.2089 -8.2089 -8.0074 -8.0074 -7.1387 -7.1387 0.0109 0.0109 0.3182 0.3182 0.3597 0.3597 0.8382 0.8382 0.9701 0.9701 1.0896 1.0896 1.5485 1.5485 1.6746 1.6746 1.6947 1.6947 3.1221 3.1221 3.1822 3.1822 3.2373 3.2373 7.9348 7.9348 7.9746 7.9746 8.2691 8.2691 8.2866 8.2866 8.7632 8.7632 k = 0.2414 0.5000-0.0000 ( 19958 PWs) bands (ev): -42.6524 -42.6524 -41.0960 -41.0960 -41.0627 -41.0627 -41.0591 -41.0591 -41.0562 -41.0562 -41.0279 -41.0279 -41.0253 -41.0253 -41.0221 -41.0221 -40.9929 -40.9929 -8.3569 -8.3569 -8.2078 -8.2078 -8.0164 -8.0164 -7.1389 -7.1389 -0.0049 -0.0049 0.2860 0.2860 0.3774 0.3774 0.8277 0.8277 0.9621 0.9621 1.0920 1.0920 1.5188 1.5188 1.7164 1.7164 1.7205 1.7205 3.1438 3.1438 3.1770 3.1770 3.2394 3.2394 7.9920 7.9920 8.0483 8.0483 8.2551 8.2551 8.2682 8.2682 8.7643 8.7643 k = 0.2586 0.5000-0.0000 ( 19954 PWs) bands (ev): -42.6524 -42.6524 -41.0958 -41.0958 -41.0626 -41.0626 -41.0593 -41.0593 -41.0560 -41.0560 -41.0281 -41.0281 -41.0252 -41.0252 -41.0223 -41.0223 -40.9930 -40.9930 -8.3484 -8.3484 -8.2067 -8.2067 -8.0258 -8.0258 -7.1392 -7.1392 -0.0193 -0.0193 0.2544 0.2544 0.3974 0.3974 0.8173 0.8173 0.9491 0.9491 1.0944 1.0944 1.4875 1.4875 1.7440 1.7440 1.7647 1.7647 3.1627 3.1627 3.1730 3.1730 3.2417 3.2417 8.0322 8.0322 8.1256 8.1256 8.2232 8.2232 8.2846 8.2846 8.7704 8.7704 k = 0.2759 0.5000-0.0000 ( 19968 PWs) bands (ev): -42.6524 -42.6524 -41.0956 -41.0956 -41.0624 -41.0624 -41.0595 -41.0595 -41.0559 -41.0559 -41.0282 -41.0282 -41.0250 -41.0250 -41.0224 -41.0224 -40.9932 -40.9932 -8.3394 -8.3394 -8.2056 -8.2056 -8.0357 -8.0357 -7.1394 -7.1394 -0.0324 -0.0324 0.2244 0.2244 0.4187 0.4187 0.8070 0.8070 0.9324 0.9324 1.0969 1.0969 1.4550 1.4550 1.7760 1.7760 1.8071 1.8071 3.1647 3.1647 3.1838 3.1838 3.2440 3.2440 8.0477 8.0477 8.1804 8.1804 8.2162 8.2162 8.3279 8.3279 8.7804 8.7804 k = 0.2931 0.5000-0.0000 ( 19984 PWs) bands (ev): -42.6524 -42.6524 -41.0954 -41.0954 -41.0623 -41.0623 -41.0597 -41.0597 -41.0557 -41.0557 -41.0284 -41.0284 -41.0249 -41.0249 -41.0226 -41.0226 -40.9933 -40.9933 -8.3299 -8.3299 -8.2046 -8.2046 -8.0460 -8.0460 -7.1396 -7.1396 -0.0440 -0.0440 0.1962 0.1962 0.4410 0.4410 0.7970 0.7970 0.9130 0.9130 1.0995 1.0995 1.4217 1.4217 1.8110 1.8110 1.8475 1.8475 3.1598 3.1598 3.1998 3.1998 3.2465 3.2465 8.0429 8.0429 8.1500 8.1500 8.2971 8.2971 8.3935 8.3935 8.7932 8.7932 k = 0.3103 0.5000-0.0000 ( 19966 PWs) bands (ev): -42.6524 -42.6524 -41.0953 -41.0953 -41.0621 -41.0621 -41.0599 -41.0599 -41.0556 -41.0556 -41.0286 -41.0286 -41.0247 -41.0247 -41.0228 -41.0228 -40.9935 -40.9935 -8.3200 -8.3200 -8.2035 -8.2035 -8.0568 -8.0568 -7.1398 -7.1398 -0.0542 -0.0542 0.1701 0.1701 0.4640 0.4640 0.7873 0.7873 0.8921 0.8921 1.1020 1.1020 1.3879 1.3879 1.8478 1.8478 1.8854 1.8854 3.1547 3.1547 3.2140 3.2140 3.2490 3.2490 8.0272 8.0272 8.1149 8.1149 8.3855 8.3855 8.4717 8.4717 8.8081 8.8081 k = 0.3276 0.5000-0.0000 ( 19966 PWs) bands (ev): -42.6524 -42.6524 -41.0951 -41.0951 -41.0619 -41.0619 -41.0601 -41.0601 -41.0554 -41.0554 -41.0287 -41.0287 -41.0246 -41.0246 -41.0229 -41.0229 -40.9936 -40.9936 -8.3098 -8.3098 -8.2025 -8.2025 -8.0679 -8.0679 -7.1401 -7.1401 -0.0631 -0.0631 0.1460 0.1460 0.4877 0.4877 0.7781 0.7781 0.8706 0.8706 1.1044 1.1044 1.3540 1.3540 1.8853 1.8853 1.9208 1.9208 3.1498 3.1498 3.2262 3.2262 3.2515 3.2515 8.0070 8.0070 8.0799 8.0799 8.4766 8.4766 8.5554 8.5554 8.8245 8.8245 k = 0.3448 0.5000-0.0000 ( 19968 PWs) bands (ev): -42.6524 -42.6524 -41.0949 -41.0949 -41.0618 -41.0618 -41.0602 -41.0602 -41.0553 -41.0553 -41.0288 -41.0288 -41.0244 -41.0244 -41.0231 -41.0231 -40.9937 -40.9937 -8.2991 -8.2991 -8.2016 -8.2016 -8.0793 -8.0793 -7.1403 -7.1403 -0.0708 -0.0708 0.1240 0.1240 0.5117 0.5117 0.7693 0.7693 0.8493 0.8493 1.1067 1.1067 1.3203 1.3203 1.9225 1.9225 1.9534 1.9534 3.1451 3.1451 3.2364 3.2364 3.2540 3.2540 7.9853 7.9853 8.0457 8.0457 8.5693 8.5693 8.6390 8.6390 8.8431 8.8431 k = 0.3621 0.5000-0.0000 ( 19986 PWs) bands (ev): -42.6524 -42.6524 -41.0947 -41.0947 -41.0617 -41.0617 -41.0604 -41.0604 -41.0551 -41.0551 -41.0290 -41.0290 -41.0243 -41.0243 -41.0232 -41.0232 -40.9939 -40.9939 -8.2881 -8.2881 -8.2007 -8.2007 -8.0910 -8.0910 -7.1404 -7.1404 -0.0772 -0.0772 0.1043 0.1043 0.5358 0.5358 0.7611 0.7611 0.8289 0.8289 1.1089 1.1089 1.2871 1.2871 1.9585 1.9585 1.9831 1.9831 3.1407 3.1407 3.2448 3.2448 3.2563 3.2563 7.9641 7.9641 8.0132 8.0132 8.6626 8.6626 8.7160 8.7160 8.8669 8.8669 k = 0.3793 0.5000-0.0000 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0946 -41.0946 -41.0615 -41.0615 -41.0606 -41.0606 -41.0550 -41.0550 -41.0291 -41.0291 -41.0242 -41.0242 -41.0233 -41.0233 -40.9940 -40.9940 -8.2768 -8.2768 -8.1999 -8.1999 -8.1030 -8.1030 -7.1406 -7.1406 -0.0826 -0.0826 0.0867 0.0867 0.5595 0.5595 0.7535 0.7535 0.8100 0.8100 1.1109 1.1109 1.2549 1.2549 1.9924 1.9924 2.0097 2.0097 3.1366 3.1366 3.2515 3.2515 3.2586 3.2586 7.9442 7.9442 7.9830 7.9830 8.7550 8.7550 8.7756 8.7756 8.9034 8.9034 k = 0.3966 0.5000-0.0000 ( 19986 PWs) bands (ev): -42.6524 -42.6524 -41.0945 -41.0945 -41.0614 -41.0614 -41.0607 -41.0607 -41.0549 -41.0549 -41.0292 -41.0292 -41.0241 -41.0241 -41.0234 -41.0234 -40.9941 -40.9941 -8.2652 -8.2652 -8.1992 -8.1992 -8.1151 -8.1151 -7.1408 -7.1408 -0.0870 -0.0870 0.0714 0.0714 0.5825 0.5825 0.7465 0.7465 0.7932 0.7932 1.1127 1.1127 1.2243 1.2243 2.0236 2.0236 2.0331 2.0331 3.1331 3.1331 3.2566 3.2566 3.2606 3.2606 7.9262 7.9262 7.9556 7.9556 8.8104 8.8104 8.8449 8.8449 8.9568 8.9568 k = 0.4138 0.5000-0.0000 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0944 -41.0944 -41.0613 -41.0613 -41.0608 -41.0608 -41.0548 -41.0548 -41.0293 -41.0293 -41.0240 -41.0240 -41.0235 -41.0235 -40.9942 -40.9942 -8.2534 -8.2534 -8.1985 -8.1985 -8.1275 -8.1275 -7.1409 -7.1409 -0.0905 -0.0905 0.0584 0.0584 0.6040 0.6040 0.7403 0.7403 0.7789 0.7789 1.1143 1.1143 1.1958 1.1958 2.0513 2.0513 2.0531 2.0531 3.1299 3.1299 3.2603 3.2603 3.2625 3.2625 7.9105 7.9105 7.9315 7.9315 8.8282 8.8282 8.9300 8.9300 9.0165 9.0165 k = 0.4310 0.5000-0.0000 ( 19998 PWs) bands (ev): -42.6524 -42.6524 -41.0943 -41.0943 -41.0612 -41.0612 -41.0609 -41.0609 -41.0547 -41.0547 -41.0294 -41.0294 -41.0239 -41.0239 -41.0236 -41.0236 -40.9942 -40.9942 -8.2414 -8.2414 -8.1980 -8.1980 -8.1399 -8.1399 -7.1410 -7.1410 -0.0931 -0.0931 0.0478 0.0478 0.6231 0.6231 0.7351 0.7351 0.7674 0.7674 1.1156 1.1156 1.1703 1.1703 2.0696 2.0696 2.0749 2.0749 3.1273 3.1273 3.2629 3.2629 3.2641 3.2641 7.8974 7.8974 7.9112 7.9112 8.8378 8.8378 9.0076 9.0076 9.0712 9.0712 k = 0.4483 0.5000-0.0000 ( 20002 PWs) bands (ev): -42.6524 -42.6524 -41.0942 -41.0942 -41.0612 -41.0612 -41.0610 -41.0610 -41.0547 -41.0547 -41.0295 -41.0295 -41.0239 -41.0239 -41.0237 -41.0237 -40.9943 -40.9943 -8.2292 -8.2292 -8.1976 -8.1976 -8.1524 -8.1524 -7.1411 -7.1411 -0.0951 -0.0951 0.0395 0.0395 0.6390 0.6390 0.7310 0.7310 0.7588 0.7588 1.1166 1.1166 1.1487 1.1487 2.0826 2.0826 2.0938 2.0938 3.1253 3.1253 3.2645 3.2645 3.2656 3.2656 7.8871 7.8871 7.8950 7.8950 8.8431 8.8431 9.0741 9.0741 9.1155 9.1155 k = 0.4655 0.5000-0.0000 ( 20014 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0610 -41.0610 -41.0546 -41.0546 -41.0295 -41.0295 -41.0238 -41.0238 -41.0237 -41.0237 -40.9944 -40.9944 -8.2170 -8.2170 -8.1973 -8.1973 -8.1649 -8.1649 -7.1412 -7.1412 -0.0965 -0.0965 0.0335 0.0335 0.6507 0.6507 0.7285 0.7285 0.7530 0.7530 1.1174 1.1174 1.1321 1.1321 2.0919 2.0919 2.1077 2.1077 3.1238 3.1238 3.2655 3.2655 3.2666 3.2666 7.8796 7.8796 7.8832 7.8832 8.8460 8.8460 9.1253 9.1253 9.1478 9.1478 k = 0.4828 0.5000-0.0000 ( 20028 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.2050 -8.2050 -8.1971 -8.1971 -8.1770 -8.1770 -7.1412 -7.1412 -0.0972 -0.0972 0.0300 0.0300 0.6576 0.6576 0.7272 0.7272 0.7497 0.7497 1.1178 1.1178 1.1216 1.1216 2.0975 2.0975 2.1162 2.1162 3.1229 3.1229 3.2660 3.2660 3.2672 3.2672 7.8750 7.8750 7.8761 7.8761 8.8474 8.8474 9.1563 9.1563 9.1686 9.1686 k = 0.5000 0.5000-0.0000 ( 19968 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.1971 -8.1971 -8.1970 -8.1970 -8.1850 -8.1850 -7.1412 -7.1412 -0.0975 -0.0975 0.0288 0.0288 0.6599 0.6599 0.7269 0.7269 0.7487 0.7487 1.1180 1.1180 1.1180 1.1180 2.0993 2.0993 2.1190 2.1190 3.1226 3.1226 3.2662 3.2662 3.2674 3.2674 7.8733 7.8733 7.8739 7.8739 8.8478 8.8478 9.1656 9.1656 9.1769 9.1769 k = 0.5000 0.5000-0.0000 ( 19968 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.1971 -8.1971 -8.1970 -8.1970 -8.1850 -8.1850 -7.1412 -7.1412 -0.0975 -0.0975 0.0288 0.0288 0.6599 0.6599 0.7269 0.7269 0.7487 0.7487 1.1180 1.1180 1.1180 1.1180 2.0993 2.0993 2.1190 2.1190 3.1226 3.1226 3.2662 3.2662 3.2674 3.2674 7.8733 7.8733 7.8739 7.8739 8.8478 8.8478 9.1656 9.1656 9.1769 9.1769 k = 0.4878 0.4878-0.0000 ( 20032 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.2053 -8.2053 -8.1967 -8.1967 -8.1771 -8.1771 -7.1412 -7.1412 -0.0972 -0.0972 0.0300 0.0300 0.6576 0.6576 0.7272 0.7272 0.7498 0.7498 1.1181 1.1181 1.1214 1.1214 2.0974 2.0974 2.1163 2.1163 3.1229 3.1229 3.2654 3.2654 3.2678 3.2678 7.8713 7.8713 7.8799 7.8799 8.8473 8.8473 9.1567 9.1567 9.1682 9.1682 k = 0.4756 0.4756-0.0000 ( 20008 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0295 -41.0295 -41.0238 -41.0238 -41.0238 -41.0238 -40.9943 -40.9943 -8.2179 -8.2179 -8.1958 -8.1958 -8.1654 -8.1654 -7.1412 -7.1412 -0.0965 -0.0965 0.0336 0.0336 0.6506 0.6506 0.7282 0.7282 0.7533 0.7533 1.1183 1.1183 1.1313 1.1313 2.0901 2.0901 2.1095 2.1095 3.1238 3.1238 3.2619 3.2619 3.2702 3.2702 7.8644 7.8644 7.8985 7.8985 8.8453 8.8453 9.1291 9.1291 9.1444 9.1444 k = 0.4634 0.4634-0.0000 ( 19992 PWs) bands (ev): -42.6524 -42.6524 -41.0942 -41.0942 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0295 -41.0295 -41.0238 -41.0238 -41.0238 -41.0238 -40.9943 -40.9943 -8.2312 -8.2312 -8.1942 -8.1942 -8.1538 -8.1538 -7.1411 -7.1411 -0.0953 -0.0953 0.0396 0.0396 0.6388 0.6388 0.7298 0.7298 0.7602 0.7602 1.1186 1.1186 1.1469 1.1469 2.0744 2.0744 2.1021 2.1021 3.1253 3.1253 3.2559 3.2559 3.2743 3.2743 7.8531 7.8531 7.9292 7.9292 8.8396 8.8396 9.0826 9.0826 9.1094 9.1094 k = 0.4512 0.4512-0.0000 ( 19994 PWs) bands (ev): -42.6524 -42.6524 -41.0943 -41.0943 -41.0611 -41.0611 -41.0611 -41.0611 -41.0547 -41.0547 -41.0294 -41.0294 -41.0238 -41.0238 -41.0238 -41.0238 -40.9942 -40.9942 -8.2449 -8.2449 -8.1920 -8.1920 -8.1424 -8.1424 -7.1410 -7.1410 -0.0937 -0.0937 0.0482 0.0482 0.6226 0.6226 0.7317 0.7317 0.7710 0.7710 1.1190 1.1190 1.1673 1.1673 2.0501 2.0501 2.0949 2.0949 3.1275 3.1275 3.2476 3.2476 3.2799 3.2799 7.8376 7.8376 7.9715 7.9715 8.8269 8.8269 9.0199 9.0199 9.0654 9.0654 k = 0.4390 0.4390-0.0000 ( 19996 PWs) bands (ev): -42.6524 -42.6524 -41.0944 -41.0944 -41.0611 -41.0611 -41.0611 -41.0611 -41.0548 -41.0548 -41.0293 -41.0293 -41.0238 -41.0238 -41.0238 -41.0238 -40.9942 -40.9942 -8.2589 -8.2589 -8.1892 -8.1892 -8.1313 -8.1313 -7.1409 -7.1409 -0.0918 -0.0918 0.0594 0.0594 0.6029 0.6029 0.7336 0.7336 0.7860 0.7860 1.1196 1.1196 1.1914 1.1914 2.0186 2.0186 2.0871 2.0871 3.1302 3.1302 3.2374 3.2374 3.2866 3.2866 7.8182 7.8182 8.0249 8.0249 8.8031 8.8031 8.9442 8.9442 9.0139 9.0139 k = 0.4268 0.4268-0.0000 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0945 -41.0945 -41.0611 -41.0611 -41.0611 -41.0611 -41.0549 -41.0549 -41.0292 -41.0292 -41.0238 -41.0238 -41.0238 -41.0238 -40.9941 -40.9941 -8.2731 -8.2731 -8.1858 -8.1858 -8.1206 -8.1206 -7.1408 -7.1408 -0.0896 -0.0896 0.0732 0.0732 0.5806 0.5806 0.7354 0.7354 0.8051 0.8051 1.1203 1.1203 1.2184 1.2184 1.9811 1.9811 2.0782 2.0782 3.1337 3.1337 3.2253 3.2253 3.2944 3.2944 7.7953 7.7953 8.0883 8.0883 8.7645 8.7645 8.8589 8.8589 8.9559 8.9559 k = 0.4146 0.4146-0.0000 ( 19996 PWs) bands (ev): -42.6524 -42.6524 -41.0946 -41.0946 -41.0611 -41.0611 -41.0610 -41.0610 -41.0550 -41.0550 -41.0291 -41.0291 -41.0238 -41.0238 -41.0238 -41.0238 -40.9940 -40.9940 -8.2875 -8.2875 -8.1818 -8.1818 -8.1103 -8.1103 -7.1406 -7.1406 -0.0872 -0.0872 0.0897 0.0897 0.5564 0.5564 0.7369 0.7369 0.8280 0.8280 1.1212 1.1212 1.2476 1.2476 1.9385 1.9385 2.0684 2.0684 3.1378 3.1378 3.2117 3.2117 3.3029 3.3029 7.7692 7.7692 8.1600 8.1600 8.7092 8.7092 8.7675 8.7675 8.8916 8.8916 k = 0.4024 0.4024-0.0000 ( 20002 PWs) bands (ev): -42.6524 -42.6524 -41.0948 -41.0948 -41.0611 -41.0611 -41.0610 -41.0610 -41.0552 -41.0552 -41.0290 -41.0290 -41.0238 -41.0238 -41.0238 -41.0238 -40.9938 -40.9938 -8.3021 -8.3021 -8.1772 -8.1772 -8.1003 -8.1003 -7.1404 -7.1404 -0.0846 -0.0846 0.1088 0.1088 0.5311 0.5311 0.7380 0.7380 0.8543 0.8543 1.1221 1.1221 1.2782 1.2782 1.8917 1.8917 2.0576 2.0576 3.1425 3.1425 3.1969 3.1969 3.3121 3.3121 7.7400 7.7400 8.2357 8.2357 8.6379 8.6379 8.6755 8.6755 8.8220 8.8220 k = 0.3902 0.3902-0.0000 ( 19996 PWs) bands (ev): -42.6524 -42.6524 -41.0950 -41.0950 -41.0610 -41.0610 -41.0610 -41.0610 -41.0553 -41.0553 -41.0288 -41.0288 -41.0238 -41.0238 -41.0237 -41.0237 -40.9937 -40.9937 -8.3167 -8.3167 -8.1721 -8.1721 -8.0908 -8.0908 -7.1403 -7.1403 -0.0818 -0.0818 0.1306 0.1306 0.5051 0.5051 0.7385 0.7385 0.8837 0.8837 1.1231 1.1231 1.3099 1.3099 1.8415 1.8415 2.0460 2.0460 3.1479 3.1479 3.1812 3.1812 3.3216 3.3216 7.7081 7.7081 8.3027 8.3027 8.5528 8.5528 8.5967 8.5967 8.7488 8.7488 k = 0.3780 0.3780-0.0000 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0951 -41.0951 -41.0610 -41.0610 -41.0610 -41.0610 -41.0555 -41.0555 -41.0287 -41.0287 -41.0237 -41.0237 -41.0237 -41.0237 -40.9936 -40.9936 -8.3315 -8.3315 -8.1665 -8.1665 -8.0817 -8.0817 -7.1401 -7.1401 -0.0788 -0.0788 0.1551 0.1551 0.4787 0.4787 0.7383 0.7383 0.9160 0.9160 1.1243 1.1243 1.3423 1.3423 1.7889 1.7889 2.0337 2.0337 3.1536 3.1536 3.1656 3.1656 3.3314 3.3314 7.6736 7.6736 8.3179 8.3179 8.4568 8.4568 8.5748 8.5748 8.6741 8.6741 k = 0.3659 0.3659-0.0000 ( 20002 PWs) bands (ev): -42.6524 -42.6524 -41.0953 -41.0953 -41.0610 -41.0610 -41.0610 -41.0610 -41.0557 -41.0557 -41.0285 -41.0285 -41.0237 -41.0237 -41.0237 -41.0237 -40.9934 -40.9934 -8.3463 -8.3463 -8.1603 -8.1603 -8.0730 -8.0730 -7.1399 -7.1399 -0.0756 -0.0756 0.1820 0.1820 0.4522 0.4522 0.7370 0.7370 0.9509 0.9509 1.1255 1.1255 1.3750 1.3750 1.7347 1.7347 2.0209 2.0209 3.1473 3.1473 3.1624 3.1624 3.3414 3.3414 7.6367 7.6367 8.2539 8.2539 8.3529 8.3529 8.5988 8.5988 8.6379 8.6379 k = 0.3537 0.3537-0.0000 ( 19986 PWs) bands (ev): -42.6524 -42.6524 -41.0956 -41.0956 -41.0610 -41.0610 -41.0610 -41.0610 -41.0558 -41.0558 -41.0283 -41.0283 -41.0237 -41.0237 -41.0237 -41.0237 -40.9932 -40.9932 -8.3611 -8.3611 -8.1538 -8.1538 -8.0646 -8.0646 -7.1396 -7.1396 -0.0722 -0.0722 0.2114 0.2114 0.4260 0.4260 0.7342 0.7342 0.9881 0.9881 1.1269 1.1269 1.4078 1.4078 1.6799 1.6799 2.0079 2.0079 3.1315 3.1315 3.1698 3.1698 3.3513 3.3513 7.5975 7.5975 8.1554 8.1554 8.2436 8.2436 8.5238 8.5238 8.7414 8.7414 k = 0.3415 0.3415-0.0000 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0958 -41.0958 -41.0610 -41.0610 -41.0609 -41.0609 -41.0560 -41.0560 -41.0281 -41.0281 -41.0237 -41.0237 -41.0237 -41.0237 -40.9930 -40.9930 -8.3758 -8.3758 -8.1468 -8.1468 -8.0567 -8.0567 -7.1394 -7.1394 -0.0686 -0.0686 0.2430 0.2430 0.4002 0.4002 0.7296 0.7296 1.0272 1.0272 1.1283 1.1283 1.4405 1.4405 1.6254 1.6254 1.9948 1.9948 3.1160 3.1160 3.1783 3.1783 3.3611 3.3611 7.5561 7.5561 8.0463 8.0463 8.1310 8.1310 8.4491 8.4491 8.8616 8.8616 k = 0.3293 0.3293-0.0000 ( 20004 PWs) bands (ev): -42.6524 -42.6524 -41.0960 -41.0960 -41.0610 -41.0610 -41.0609 -41.0609 -41.0563 -41.0563 -41.0279 -41.0279 -41.0237 -41.0237 -41.0237 -41.0237 -40.9929 -40.9929 -8.3905 -8.3905 -8.1394 -8.1394 -8.0492 -8.0492 -7.1392 -7.1392 -0.0649 -0.0649 0.2765 0.2765 0.3751 0.3751 0.7227 0.7227 1.0680 1.0680 1.1298 1.1298 1.4727 1.4727 1.5720 1.5720 1.9817 1.9817 3.1015 3.1015 3.1878 3.1878 3.3708 3.3708 7.5124 7.5124 7.9335 7.9335 8.0168 8.0168 8.3751 8.3751 8.9917 8.9917 k = 0.3171 0.3171-0.0000 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0963 -41.0963 -41.0610 -41.0610 -41.0609 -41.0609 -41.0565 -41.0565 -41.0277 -41.0277 -41.0237 -41.0237 -41.0237 -41.0237 -40.9926 -40.9926 -8.4051 -8.4051 -8.1317 -8.1317 -8.0420 -8.0420 -7.1389 -7.1389 -0.0610 -0.0610 0.3100 0.3100 0.3527 0.3527 0.7130 0.7130 1.1100 1.1100 1.1316 1.1316 1.5040 1.5040 1.5213 1.5213 1.9689 1.9689 3.0884 3.0884 3.1981 3.1981 3.3802 3.3802 7.4666 7.4666 7.8193 7.8193 7.9020 7.9020 8.3017 8.3017 9.1290 9.1290 k = 0.3049 0.3049-0.0000 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0965 -41.0965 -41.0610 -41.0610 -41.0609 -41.0609 -41.0567 -41.0567 -41.0274 -41.0274 -41.0237 -41.0237 -41.0237 -41.0237 -40.9924 -40.9924 -8.4195 -8.4195 -8.1236 -8.1236 -8.0353 -8.0353 -7.1387 -7.1387 -0.0570 -0.0570 0.3185 0.3185 0.3577 0.3577 0.7000 0.7000 1.1326 1.1326 1.1538 1.1538 1.4721 1.4721 1.5359 1.5359 1.9566 1.9566 3.0772 3.0772 3.2093 3.2093 3.3894 3.3894 7.4187 7.4187 7.7051 7.7051 7.7875 7.7875 8.2291 8.2291 9.2722 9.2722 k = 0.2927 0.2927-0.0000 ( 19994 PWs) bands (ev): -42.6524 -42.6524 -41.0968 -41.0968 -41.0609 -41.0609 -41.0609 -41.0609 -41.0569 -41.0569 -41.0272 -41.0272 -41.0237 -41.0237 -41.0237 -41.0237 -40.9922 -40.9922 -8.4338 -8.4338 -8.1153 -8.1153 -8.0289 -8.0289 -7.1385 -7.1385 -0.0530 -0.0530 0.2978 0.2978 0.3944 0.3944 0.6833 0.6833 1.1344 1.1344 1.1976 1.1976 1.4276 1.4276 1.5661 1.5661 1.9448 1.9448 3.0683 3.0683 3.2213 3.2213 3.3983 3.3983 7.3687 7.3687 7.5916 7.5916 7.6740 7.6740 8.1575 8.1575 9.4203 9.4203 k = 0.2805 0.2805-0.0000 ( 19982 PWs) bands (ev): -42.6524 -42.6524 -41.0971 -41.0971 -41.0609 -41.0609 -41.0609 -41.0609 -41.0572 -41.0572 -41.0270 -41.0270 -41.0237 -41.0237 -41.0236 -41.0236 -40.9920 -40.9920 -8.4478 -8.4478 -8.1068 -8.1068 -8.0229 -8.0229 -7.1382 -7.1382 -0.0488 -0.0488 0.2754 0.2754 0.4351 0.4351 0.6625 0.6625 1.1361 1.1361 1.2418 1.2418 1.3874 1.3874 1.5955 1.5955 1.9339 1.9339 3.0620 3.0620 3.2341 3.2341 3.4070 3.4070 7.3167 7.3167 7.4795 7.4795 7.5619 7.5619 8.0869 8.0869 9.4754 9.4754 k = 0.2683 0.2683-0.0000 ( 19970 PWs) bands (ev): -42.6524 -42.6524 -41.0973 -41.0973 -41.0609 -41.0609 -41.0608 -41.0608 -41.0574 -41.0574 -41.0267 -41.0267 -41.0237 -41.0237 -41.0236 -41.0236 -40.9918 -40.9918 -8.4615 -8.4615 -8.0981 -8.0981 -8.0172 -8.0172 -7.1380 -7.1380 -0.0447 -0.0447 0.2533 0.2533 0.4775 0.4775 0.6377 0.6377 1.1378 1.1378 1.2861 1.2861 1.3522 1.3522 1.6237 1.6237 1.9239 1.9239 3.0587 3.0587 3.2477 3.2477 3.4153 3.4153 7.2627 7.2627 7.3691 7.3691 7.4516 7.4516 8.0174 8.0174 9.4275 9.4275 k = 0.2561 0.2561-0.0000 ( 19970 PWs) bands (ev): -42.6524 -42.6524 -41.0976 -41.0976 -41.0609 -41.0609 -41.0608 -41.0608 -41.0576 -41.0576 -41.0265 -41.0265 -41.0236 -41.0236 -41.0236 -41.0236 -40.9916 -40.9916 -8.4749 -8.4749 -8.0893 -8.0893 -8.0119 -8.0119 -7.1377 -7.1377 -0.0405 -0.0405 0.2319 0.2319 0.5204 0.5204 0.6094 0.6094 1.1395 1.1395 1.3188 1.3188 1.3331 1.3331 1.6509 1.6509 1.9149 1.9149 3.0588 3.0588 3.2621 3.2621 3.4234 3.4234 7.2069 7.2069 7.2608 7.2608 7.3434 7.3434 7.9490 7.9490 9.3807 9.3807 k = 0.2439 0.2439-0.0000 ( 19974 PWs) bands (ev): -42.6524 -42.6524 -41.0978 -41.0978 -41.0609 -41.0609 -41.0608 -41.0608 -41.0578 -41.0578 -41.0263 -41.0263 -41.0236 -41.0236 -41.0236 -41.0236 -40.9914 -40.9914 -8.4880 -8.4880 -8.0804 -8.0804 -8.0069 -8.0069 -7.1375 -7.1375 -0.0365 -0.0365 0.2113 0.2113 0.5565 0.5565 0.5850 0.5850 1.1412 1.1412 1.2949 1.2949 1.3747 1.3747 1.6767 1.6767 1.9072 1.9072 3.0625 3.0625 3.2771 3.2771 3.4312 3.4312 7.1494 7.1494 7.1549 7.1549 7.2376 7.2376 7.8818 7.8818 9.3351 9.3351 k = 0.2317 0.2317-0.0000 ( 19962 PWs) bands (ev): -42.6524 -42.6524 -41.0981 -41.0981 -41.0608 -41.0608 -41.0608 -41.0608 -41.0581 -41.0581 -41.0260 -41.0260 -41.0236 -41.0236 -41.0236 -41.0236 -40.9912 -40.9912 -8.5006 -8.5006 -8.0715 -8.0715 -8.0023 -8.0023 -7.1372 -7.1372 -0.0325 -0.0325 0.1915 0.1915 0.5352 0.5352 0.6155 0.6155 1.1429 1.1429 1.2736 1.2736 1.4174 1.4174 1.7013 1.7013 1.9007 1.9007 3.0699 3.0699 3.2927 3.2927 3.4387 3.4387 7.0518 7.0518 7.0900 7.0900 7.1348 7.1348 7.8157 7.8157 9.2907 9.2907 k = 0.2195 0.2195-0.0000 ( 19966 PWs) bands (ev): -42.6524 -42.6524 -41.0984 -41.0984 -41.0608 -41.0608 -41.0608 -41.0608 -41.0583 -41.0583 -41.0258 -41.0258 -41.0236 -41.0236 -41.0236 -41.0236 -40.9910 -40.9910 -8.5129 -8.5129 -8.0626 -8.0626 -7.9980 -7.9980 -7.1369 -7.1369 -0.0287 -0.0287 0.1727 0.1727 0.4976 0.4976 0.6600 0.6600 1.1446 1.1446 1.2560 1.2560 1.4592 1.4592 1.7245 1.7245 1.8955 1.8955 3.0813 3.0813 3.3089 3.3089 3.4460 3.4460 6.9517 6.9517 7.0236 7.0236 7.0407 7.0407 7.7509 7.7509 9.2477 9.2477 k = 0.2073 0.2073-0.0000 ( 19946 PWs) bands (ev): -42.6524 -42.6524 -41.0986 -41.0986 -41.0608 -41.0608 -41.0608 -41.0608 -41.0585 -41.0585 -41.0256 -41.0256 -41.0236 -41.0236 -41.0236 -41.0236 -40.9908 -40.9908 -8.5247 -8.5247 -8.0538 -8.0538 -7.9940 -7.9940 -7.1367 -7.1367 -0.0250 -0.0250 0.1547 0.1547 0.4574 0.4574 0.7053 0.7053 1.1463 1.1463 1.2417 1.2417 1.4997 1.4997 1.7463 1.7463 1.8918 1.8918 3.0966 3.0966 3.3254 3.3254 3.4530 3.4530 6.8548 6.8548 6.9321 6.9321 6.9740 6.9740 7.6871 7.6871 9.2062 9.2062 k = 0.1951 0.1951-0.0000 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0989 -41.0989 -41.0608 -41.0608 -41.0607 -41.0607 -41.0587 -41.0587 -41.0254 -41.0254 -41.0236 -41.0236 -41.0235 -41.0235 -40.9906 -40.9906 -8.5360 -8.5360 -8.0451 -8.0451 -7.9903 -7.9903 -7.1364 -7.1364 -0.0216 -0.0216 0.1377 0.1377 0.4161 0.4161 0.7505 0.7505 1.1479 1.1479 1.2300 1.2300 1.5389 1.5389 1.7666 1.7666 1.8894 1.8894 3.1158 3.1158 3.3422 3.3422 3.4599 3.4599 6.7616 6.7616 6.8377 6.8377 6.9130 6.9130 7.6245 7.6245 9.1663 9.1663 k = 0.1829 0.1829-0.0000 ( 19954 PWs) bands (ev): -42.6524 -42.6524 -41.0991 -41.0991 -41.0608 -41.0608 -41.0607 -41.0607 -41.0589 -41.0589 -41.0251 -41.0251 -41.0236 -41.0236 -41.0235 -41.0235 -40.9904 -40.9904 -8.5468 -8.5468 -8.0366 -8.0366 -7.9869 -7.9869 -7.1362 -7.1362 -0.0183 -0.0183 0.1217 0.1217 0.3744 0.3744 0.7949 0.7949 1.1494 1.1494 1.2205 1.2205 1.5765 1.5765 1.7855 1.7855 1.8884 1.8884 3.1386 3.1386 3.3592 3.3592 3.4665 3.4665 6.6721 6.6721 6.7460 6.7460 6.8529 6.8529 7.5630 7.5630 9.1280 9.1280 k = 0.1707 0.1707-0.0000 ( 19946 PWs) bands (ev): -42.6524 -42.6524 -41.0993 -41.0993 -41.0608 -41.0608 -41.0607 -41.0607 -41.0591 -41.0591 -41.0249 -41.0249 -41.0235 -41.0235 -41.0235 -41.0235 -40.9902 -40.9902 -8.5570 -8.5570 -8.0284 -8.0284 -7.9838 -7.9838 -7.1359 -7.1359 -0.0154 -0.0154 0.1067 0.1067 0.3331 0.3331 0.8382 0.8382 1.1509 1.1509 1.2127 1.2127 1.6126 1.6126 1.8029 1.8029 1.8888 1.8888 3.1648 3.1648 3.3762 3.3762 3.4729 3.4729 6.5867 6.5867 6.6574 6.6574 6.7938 6.7938 7.5026 7.5026 9.0915 9.0915 k = 0.1585 0.1585-0.0000 ( 19964 PWs) bands (ev): -42.6525 -42.6525 -41.0995 -41.0995 -41.0608 -41.0608 -41.0607 -41.0607 -41.0593 -41.0593 -41.0248 -41.0248 -41.0235 -41.0235 -41.0235 -41.0235 -40.9901 -40.9901 -8.5667 -8.5667 -8.0205 -8.0205 -7.9809 -7.9809 -7.1357 -7.1357 -0.0127 -0.0127 0.0926 0.0926 0.2928 0.2928 0.8800 0.8800 1.1522 1.1522 1.2062 1.2062 1.6471 1.6471 1.8187 1.8187 1.8904 1.8904 3.1940 3.1940 3.3930 3.3930 3.4792 3.4792 6.5056 6.5056 6.5723 6.5723 6.7363 6.7363 7.4435 7.4435 9.0569 9.0569 k = 0.1463 0.1463-0.0000 ( 19976 PWs) bands (ev): -42.6525 -42.6525 -41.0997 -41.0997 -41.0607 -41.0607 -41.0607 -41.0607 -41.0595 -41.0595 -41.0246 -41.0246 -41.0235 -41.0235 -41.0235 -41.0235 -40.9899 -40.9899 -8.5758 -8.5758 -8.0129 -8.0129 -7.9783 -7.9783 -7.1354 -7.1354 -0.0103 -0.0103 0.0796 0.0796 0.2539 0.2539 0.9198 0.9198 1.1534 1.1534 1.2007 1.2007 1.6798 1.6798 1.8332 1.8332 1.8932 1.8932 3.2256 3.2256 3.4094 3.4094 3.4853 3.4853 6.4291 6.4291 6.4910 6.4910 6.6807 6.6807 7.3858 7.3858 9.0243 9.0243 k = 0.1341 0.1341-0.0000 ( 19956 PWs) bands (ev): -42.6525 -42.6525 -41.0999 -41.0999 -41.0607 -41.0607 -41.0607 -41.0607 -41.0597 -41.0597 -41.0244 -41.0244 -41.0235 -41.0235 -41.0235 -41.0235 -40.9897 -40.9897 -8.5842 -8.5842 -8.0057 -8.0057 -7.9760 -7.9760 -7.1352 -7.1352 -0.0082 -0.0082 0.0676 0.0676 0.2170 0.2170 0.9574 0.9574 1.1545 1.1545 1.1961 1.1961 1.7109 1.7109 1.8462 1.8462 1.8969 1.8969 3.2590 3.2590 3.4254 3.4254 3.4912 3.4912 6.3574 6.3574 6.4138 6.4138 6.6276 6.6276 7.3297 7.3297 8.9938 8.9938 k = 0.1220 0.1220-0.0000 ( 19950 PWs) bands (ev): -42.6525 -42.6525 -41.1001 -41.1001 -41.0607 -41.0607 -41.0607 -41.0607 -41.0599 -41.0599 -41.0242 -41.0242 -41.0235 -41.0235 -41.0235 -41.0235 -40.9896 -40.9896 -8.5920 -8.5920 -7.9989 -7.9989 -7.9738 -7.9738 -7.1350 -7.1350 -0.0064 -0.0064 0.0566 0.0566 0.1823 0.1823 0.9924 0.9924 1.1555 1.1555 1.1923 1.1923 1.7400 1.7400 1.8580 1.8580 1.9015 1.9015 3.2935 3.2935 3.4406 3.4406 3.4969 3.4969 6.2908 6.2908 6.3411 6.3411 6.5774 6.5774 7.2756 7.2756 8.9655 8.9655 k = 0.1098 0.1098-0.0000 ( 19950 PWs) bands (ev): -42.6525 -42.6525 -41.1003 -41.1003 -41.0607 -41.0607 -41.0607 -41.0607 -41.0600 -41.0600 -41.0241 -41.0241 -41.0235 -41.0235 -41.0235 -41.0235 -40.9895 -40.9895 -8.5990 -8.5990 -7.9927 -7.9927 -7.9720 -7.9720 -7.1348 -7.1348 -0.0049 -0.0049 0.0467 0.0467 0.1502 0.1502 1.0245 1.0245 1.1562 1.1562 1.1891 1.1891 1.7671 1.7671 1.8688 1.8688 1.9066 1.9066 3.3283 3.3283 3.4550 3.4550 3.5024 3.5024 6.2296 6.2296 6.2732 6.2732 6.5307 6.5307 7.2239 7.2239 8.9395 8.9395 k = 0.0976 0.0976-0.0000 ( 19968 PWs) bands (ev): -42.6525 -42.6525 -41.1004 -41.1004 -41.0607 -41.0607 -41.0607 -41.0607 -41.0601 -41.0601 -41.0240 -41.0240 -41.0235 -41.0235 -41.0235 -41.0235 -40.9893 -40.9893 -8.6054 -8.6054 -7.9869 -7.9869 -7.9703 -7.9703 -7.1346 -7.1346 -0.0038 -0.0038 0.0378 0.0378 0.1211 0.1211 1.0534 1.0534 1.1567 1.1567 1.1866 1.1866 1.7918 1.7918 1.8789 1.8789 1.9120 1.9120 3.3625 3.3625 3.4684 3.4684 3.5077 3.5077 6.1739 6.1739 6.2107 6.2107 6.4879 6.4879 7.1751 7.1751 8.9159 8.9160 k = 0.0854 0.0854-0.0000 ( 19971 PWs) bands (ev): -42.6525 -42.6525 -41.1006 -41.1006 -41.0607 -41.0607 -41.0607 -41.0607 -41.0603 -41.0603 -41.0238 -41.0238 -41.0235 -41.0235 -41.0235 -41.0235 -40.9892 -40.9892 -8.6111 -8.6111 -7.9818 -7.9818 -7.9689 -7.9689 -7.1344 -7.1344 -0.0030 -0.0030 0.0299 0.0299 0.0951 0.0951 1.0790 1.0790 1.1570 1.1570 1.1847 1.1847 1.8136 1.8136 1.8886 1.8886 1.9173 1.9173 3.3952 3.3952 3.4806 3.4806 3.5127 3.5127 6.1241 6.1241 6.1539 6.1539 6.4492 6.4492 7.1298 7.1298 8.8949 8.8949 k = 0.0732 0.0732-0.0000 ( 19983 PWs) bands (ev): -42.6525 -42.6525 -41.1007 -41.1007 -41.0607 -41.0607 -41.0607 -41.0607 -41.0604 -41.0604 -41.0237 -41.0237 -41.0235 -41.0235 -41.0234 -41.0234 -40.9892 -40.9892 -8.6161 -8.6161 -7.9773 -7.9773 -7.9676 -7.9676 -7.1342 -7.1342 -0.0026 -0.0026 0.0229 0.0229 0.0726 0.0726 1.1010 1.1010 1.1571 1.1571 1.1835 1.1835 1.8322 1.8322 1.8982 1.8982 1.9223 1.9223 3.4255 3.4255 3.4915 3.4915 3.5176 3.5176 6.0804 6.0804 6.1034 6.1034 6.4151 6.4151 7.0887 7.0887 8.8764 8.8765 k = 0.0610 0.0610-0.0000 ( 19979 PWs) bands (ev): -42.6525 -42.6525 -41.1008 -41.1008 -41.0607 -41.0607 -41.0607 -41.0607 -41.0605 -41.0605 -41.0236 -41.0236 -41.0235 -41.0235 -41.0234 -41.0234 -40.9891 -40.9891 -8.6203 -8.6203 -7.9734 -7.9734 -7.9666 -7.9666 -7.1341 -7.1341 -0.0026 -0.0026 0.0167 0.0167 0.0539 0.0539 1.1193 1.1193 1.1570 1.1570 1.1830 1.1830 1.8472 1.8472 1.9077 1.9077 1.9268 1.9268 3.4523 3.4523 3.5012 3.5012 3.5221 3.5221 6.0430 6.0430 6.0597 6.0597 6.3858 6.3858 7.0524 7.0524 8.8607 8.8607 k = 0.0488 0.0488-0.0000 ( 19987 PWs) bands (ev): -42.6525 -42.6525 -41.1009 -41.1009 -41.0607 -41.0607 -41.0607 -41.0607 -41.0605 -41.0605 -41.0236 -41.0236 -41.0234 -41.0234 -41.0234 -41.0234 -40.9890 -40.9890 -8.6238 -8.6238 -7.9701 -7.9701 -7.9658 -7.9658 -7.1340 -7.1340 -0.0030 -0.0030 0.0109 0.0109 0.0395 0.0395 1.1337 1.1337 1.1567 1.1567 1.1832 1.1832 1.8586 1.8586 1.9171 1.9171 1.9307 1.9307 3.4743 3.4743 3.5101 3.5101 3.5263 3.5263 6.0120 6.0120 6.0231 6.0231 6.3615 6.3615 7.0216 7.0216 8.8477 8.8518 k = 0.0366 0.0366-0.0000 ( 19971 PWs) bands (ev): -42.6525 -42.6525 -41.1009 -41.1009 -41.0607 -41.0607 -41.0607 -41.0607 -41.0606 -41.0606 -41.0235 -41.0235 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6265 -8.6265 -7.9676 -7.9676 -7.9651 -7.9651 -7.1339 -7.1339 -0.0037 -0.0037 0.0051 0.0051 0.0298 0.0298 1.1442 1.1442 1.1564 1.1564 1.1842 1.1842 1.8668 1.8668 1.9255 1.9255 1.9338 1.9338 3.4904 3.4904 3.5187 3.5187 3.5299 3.5299 5.9878 5.9878 5.9942 5.9942 6.3424 6.3424 6.9970 6.9970 8.8375 8.8375 k = 0.0244 0.0244-0.0000 ( 19979 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0606 -41.0606 -41.0235 -41.0235 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6284 -8.6284 -7.9658 -7.9658 -7.9647 -7.9647 -7.1338 -7.1338 -0.0044 -0.0044 -0.0001 -0.0001 0.0242 0.0242 1.1511 1.1511 1.1562 1.1562 1.1856 1.1856 1.8722 1.8722 1.9321 1.9321 1.9361 1.9361 3.5001 3.5001 3.5269 3.5269 3.5327 3.5327 5.9704 5.9704 5.9733 5.9733 6.3287 6.3287 6.9789 6.9789 8.8304 8.8310 k = 0.0122 0.0122-0.0000 ( 19991 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6296 -8.6296 -7.9647 -7.9647 -7.9644 -7.9644 -7.1338 -7.1338 -0.0049 -0.0049 -0.0038 -0.0038 0.0215 0.0215 1.1548 1.1548 1.1560 1.1560 1.1869 1.1869 1.8752 1.8752 1.9364 1.9364 1.9374 1.9374 3.5049 3.5049 3.5330 3.5330 3.5345 3.5345 5.9599 5.9599 5.9606 5.9606 6.3204 6.3204 6.9679 6.9679 8.8259 8.8261 k = 0.0000 0.0000 0.0000 ( 20005 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6300 -8.6300 -7.9643 -7.9643 -7.9643 -7.9643 -7.1337 -7.1337 -0.0051 -0.0051 -0.0051 -0.0051 0.0207 0.0207 1.1559 1.1559 1.1559 1.1559 1.1874 1.1874 1.8762 1.8762 1.9379 1.9379 1.9379 1.9379 3.5063 3.5063 3.5352 3.5352 3.5352 3.5352 5.9564 5.9564 5.9564 5.9564 6.3177 6.3177 6.9642 6.9642 8.8243 8.8243 k = 0.0000 0.0000 0.0000 ( 20005 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6300 -8.6300 -7.9643 -7.9643 -7.9643 -7.9643 -7.1337 -7.1337 -0.0051 -0.0051 -0.0051 -0.0051 0.0207 0.0207 1.1559 1.1559 1.1559 1.1559 1.1874 1.1874 1.8762 1.8762 1.9379 1.9379 1.9379 1.9379 3.5063 3.5063 3.5352 3.5352 3.5352 3.5352 5.9564 5.9564 5.9564 5.9564 6.3177 6.3177 6.9642 6.9642 8.8243 8.8243 k = 0.0100 0.0100 0.0100 ( 19996 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6296 -8.6296 -7.9645 -7.9645 -7.9645 -7.9645 -7.1338 -7.1338 -0.0050 -0.0050 -0.0037 -0.0037 0.0215 0.0215 1.1547 1.1547 1.1560 1.1560 1.1869 1.1869 1.8752 1.8752 1.9364 1.9364 1.9375 1.9375 3.5049 3.5049 3.5329 3.5329 3.5346 3.5346 5.9603 5.9603 5.9603 5.9603 6.3204 6.3204 6.9680 6.9680 8.8263 8.8264 k = 0.0200 0.0200 0.0200 ( 19978 PWs) bands (ev): -42.6525 -42.6525 -41.1010 -41.1010 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0607 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -41.0234 -40.9889 -40.9889 -8.6284 -8.6284 -7.9652 -7.9652 -7.9652 -7.9652 -7.1338 -7.1338 -0.0050 -0.0050 0.0006 0.0006 0.0243 0.0243 1.1512 1.1512 1.1559 1.1559 1.1857 1.1857 1.8721 1.8721 1.9320 1.9320 1.9362 1.9362 3.4999 3.4999 3.5268 3.5268 3.5330 3.5330 5.9720 5.9720 5.9720 5.9720 6.3288 6.3288 6.9791 6.9791 8.8322 8.8324 k = 0.0300 0.0300 0.0300 ( 19987 PWs) bands (ev): -42.6525 -42.6525 -41.1009 -41.1009 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -40.9890 -40.9890 -8.6265 -8.6265 -7.9664 -7.9664 -7.9664 -7.9664 -7.1339 -7.1339 -0.0060 -0.0060 0.0077 0.0077 0.0297 0.0297 1.1453 1.1453 1.1543 1.1543 1.1851 1.1851 1.8666 1.8666 1.9252 1.9252 1.9341 1.9341 3.4893 3.4893 3.5192 3.5192 3.5302 3.5302 5.9913 5.9913 5.9913 5.9913 6.3426 6.3426 6.9972 6.9972 8.8418 8.8419 k = 0.0400 0.0400 0.0400 ( 19975 PWs) bands (ev): -42.6525 -42.6525 -41.1009 -41.1009 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -40.9890 -40.9890 -8.6237 -8.6237 -7.9680 -7.9680 -7.9680 -7.9680 -7.1340 -7.1340 -0.0083 -0.0083 0.0176 0.0176 0.0384 0.0384 1.1370 1.1370 1.1497 1.1497 1.1865 1.1865 1.8579 1.8579 1.9168 1.9168 1.9315 1.9315 3.4717 3.4717 3.5121 3.5121 3.5265 3.5265 6.0181 6.0181 6.0182 6.0182 6.3616 6.3616 7.0219 7.0219 8.8557 8.8557 k = 0.0500 0.0500 0.0500 ( 19972 PWs) bands (ev): -42.6525 -42.6525 -41.1008 -41.1008 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -40.9891 -40.9891 -8.6202 -8.6202 -7.9700 -7.9700 -7.9700 -7.9700 -7.1341 -7.1341 -0.0121 -0.0121 0.0302 0.0302 0.0503 0.0503 1.1263 1.1263 1.1413 1.1413 1.1909 1.1909 1.8453 1.8453 1.9080 1.9080 1.9284 1.9284 3.4478 3.4478 3.5057 3.5057 3.5218 3.5218 6.0520 6.0520 6.0522 6.0522 6.3858 6.3858 7.0527 7.0527 8.8737 8.8737 k = 0.0600 0.0600 0.0600 ( 19954 PWs) bands (ev): -42.6525 -42.6525 -41.1007 -41.1007 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0606 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -41.0235 -40.9892 -40.9892 -8.6160 -8.6160 -7.9725 -7.9725 -7.9725 -7.9725 -7.1342 -7.1342 -0.0173 -0.0173 0.0456 0.0456 0.0652 0.0652 1.1132 1.1132 1.1293 1.1293 1.1979 1.1979 1.8276 1.8276 1.8999 1.8999 1.9252 1.9252 3.4191 3.4191 3.4992 3.4992 3.5163 3.5163 6.0929 6.0929 6.0931 6.0931 6.4147 6.4147 7.0887 7.0887 8.8962 8.8962 k = 0.0700 0.0700 0.0700 ( 19948 PWs) bands (ev): -42.6525 -42.6525 -41.1006 -41.1006 -41.0605 -41.0605 -41.0605 -41.0605 -41.0605 -41.0605 -41.0236 -41.0236 -41.0236 -41.0236 -41.0236 -41.0236 -40.9892 -40.9892 -8.6110 -8.6110 -7.9754 -7.9754 -7.9754 -7.9754 -7.1344 -7.1344 -0.0239 -0.0239 0.0636 0.0636 0.0830 0.0830 1.0977 1.0977 1.1142 1.1142 1.2069 1.2069 1.8047 1.8047 1.8932 1.8932 1.9221 1.9221 3.3868 3.3868 3.4924 3.4924 3.5099 3.5099 6.1403 6.1403 6.1405 6.1405 6.4481 6.4481 7.1293 7.1293 8.9233 8.9233 k = 0.0800 0.0800 0.0800 ( 19942 PWs) bands (ev): -42.6525 -42.6525 -41.1004 -41.1004 -41.0605 -41.0605 -41.0605 -41.0605 -41.0605 -41.0605 -41.0236 -41.0236 -41.0236 -41.0236 -41.0236 -41.0236 -40.9894 -40.9894 -8.6052 -8.6052 -7.9787 -7.9787 -7.9787 -7.9787 -7.1346 -7.1346 -0.0318 -0.0318 0.0841 0.0841 0.1035 0.1035 1.0799 1.0799 1.0963 1.0963 1.2178 1.2178 1.7765 1.7765 1.8880 1.8880 1.9194 1.9194 3.3521 3.3521 3.4851 3.4851 3.5029 3.5029 6.1938 6.1938 6.1941 6.1941 6.4856 6.4856 7.1737 7.1737 8.9552 8.9553 k = 0.0900 0.0900 0.0900 ( 19954 PWs) bands (ev): -42.6525 -42.6525 -41.1003 -41.1003 -41.0605 -41.0605 -41.0605 -41.0605 -41.0604 -41.0604 -41.0237 -41.0237 -41.0237 -41.0237 -41.0237 -41.0237 -40.9895 -40.9895 -8.5988 -8.5988 -7.9824 -7.9824 -7.9824 -7.9824 -7.1348 -7.1348 -0.0409 -0.0409 0.1070 0.1070 0.1267 0.1267 1.0600 1.0600 1.0760 1.0760 1.2304 1.2304 1.7435 1.7435 1.8842 1.8842 1.9172 1.9172 3.3159 3.3159 3.4774 3.4774 3.4953 3.4953 6.2530 6.2530 6.2534 6.2534 6.5268 6.5268 7.2210 7.2210 8.9922 8.9922 k = 0.1000 0.1000 0.1000 ( 19975 PWs) bands (ev): -42.6525 -42.6525 -41.1001 -41.1001 -41.0604 -41.0604 -41.0604 -41.0604 -41.0604 -41.0604 -41.0238 -41.0238 -41.0237 -41.0237 -41.0237 -41.0237 -40.9896 -40.9896 -8.5916 -8.5916 -7.9865 -7.9865 -7.9865 -7.9865 -7.1350 -7.1350 -0.0512 -0.0512 0.1322 0.1322 0.1522 0.1522 1.0380 1.0380 1.0533 1.0533 1.2445 1.2445 1.7060 1.7060 1.8818 1.8818 1.9158 1.9158 3.2793 3.2793 3.4693 3.4693 3.4873 3.4873 6.3175 6.3175 6.3180 6.3180 6.5711 6.5711 7.2706 7.2706 9.0321 9.0324 k = 0.1100 0.1100 0.1100 ( 19954 PWs) bands (ev): -42.6525 -42.6525 -41.0999 -41.0999 -41.0604 -41.0604 -41.0604 -41.0604 -41.0603 -41.0603 -41.0238 -41.0238 -41.0238 -41.0238 -41.0238 -41.0238 -40.9898 -40.9898 -8.5838 -8.5838 -7.9910 -7.9910 -7.9910 -7.9910 -7.1352 -7.1352 -0.0628 -0.0628 0.1595 0.1595 0.1799 0.1799 1.0144 1.0144 1.0287 1.0287 1.2601 1.2601 1.6642 1.6642 1.8808 1.8808 1.9152 1.9152 3.2430 3.2430 3.4609 3.4609 3.4788 3.4788 6.3868 6.3868 6.3874 6.3874 6.6182 6.6182 7.3219 7.3219 9.0723 9.0729 k = 0.1200 0.1200 0.1200 ( 19963 PWs) bands (ev): -42.6525 -42.6525 -41.0997 -41.0997 -41.0603 -41.0603 -41.0603 -41.0603 -41.0603 -41.0603 -41.0239 -41.0239 -41.0239 -41.0239 -41.0239 -41.0239 -40.9899 -40.9899 -8.5753 -8.5753 -7.9957 -7.9957 -7.9957 -7.9957 -7.1355 -7.1355 -0.0757 -0.0757 0.1886 0.1886 0.2096 0.2096 0.9893 0.9893 1.0025 1.0025 1.2771 1.2771 1.6183 1.6183 1.8810 1.8810 1.9158 1.9158 3.2080 3.2080 3.4524 3.4524 3.4701 3.4701 6.4605 6.4605 6.4612 6.4612 6.6675 6.6675 7.3743 7.3743 9.1151 9.1158 k = 0.1300 0.1300 0.1300 ( 19954 PWs) bands (ev): -42.6525 -42.6525 -41.0995 -41.0995 -41.0603 -41.0603 -41.0603 -41.0603 -41.0602 -41.0602 -41.0240 -41.0240 -41.0239 -41.0239 -41.0239 -41.0239 -40.9901 -40.9901 -8.5662 -8.5662 -8.0008 -8.0008 -8.0008 -8.0008 -7.1357 -7.1357 -0.0897 -0.0897 0.2192 0.2192 0.2409 0.2409 0.9633 0.9633 0.9752 0.9752 1.2955 1.2955 1.5686 1.5686 1.8826 1.8826 1.9174 1.9174 3.1747 3.1747 3.4437 3.4437 3.4613 3.4613 6.5381 6.5381 6.5389 6.5389 6.7184 6.7184 7.4275 7.4275 9.1597 9.1605 k = 0.1400 0.1400 0.1400 ( 19963 PWs) bands (ev): -42.6525 -42.6525 -41.0993 -41.0993 -41.0602 -41.0602 -41.0602 -41.0602 -41.0602 -41.0602 -41.0240 -41.0240 -41.0240 -41.0240 -41.0240 -41.0240 -40.9903 -40.9903 -8.5565 -8.5565 -8.0062 -8.0062 -8.0062 -8.0062 -7.1360 -7.1360 -0.1051 -0.1051 0.2509 0.2509 0.2735 0.2735 0.9370 0.9370 0.9473 0.9473 1.3152 1.3152 1.5153 1.5153 1.8854 1.8854 1.9202 1.9202 3.1440 3.1440 3.4350 3.4350 3.4524 3.4524 6.6192 6.6192 6.6201 6.6201 6.7702 6.7702 7.4814 7.4814 9.2053 9.2060 k = 0.1500 0.1500 0.1500 ( 19963 PWs) bands (ev): -42.6525 -42.6525 -41.0990 -41.0990 -41.0601 -41.0601 -41.0601 -41.0601 -41.0601 -41.0601 -41.0241 -41.0241 -41.0241 -41.0241 -41.0241 -41.0241 -40.9905 -40.9905 -8.5462 -8.5462 -8.0118 -8.0118 -8.0118 -8.0118 -7.1362 -7.1362 -0.1217 -0.1217 0.2829 0.2829 0.3066 0.3066 0.9111 0.9111 0.9197 0.9197 1.3361 1.3361 1.4588 1.4588 1.8894 1.8894 1.9241 1.9241 3.1161 3.1161 3.4264 3.4264 3.4436 3.4436 6.7034 6.7034 6.7044 6.7044 6.8223 6.8223 7.5358 7.5358 9.2502 9.2514 k = 0.1600 0.1600 0.1600 ( 19969 PWs) bands (ev): -42.6525 -42.6525 -41.0988 -41.0988 -41.0601 -41.0601 -41.0601 -41.0601 -41.0600 -41.0600 -41.0242 -41.0242 -41.0242 -41.0242 -41.0242 -41.0242 -40.9907 -40.9907 -8.5353 -8.5353 -8.0177 -8.0177 -8.0177 -8.0177 -7.1365 -7.1365 -0.1395 -0.1395 0.3145 0.3145 0.3396 0.3396 0.8868 0.8868 0.8934 0.8934 1.3583 1.3583 1.3992 1.3992 1.8946 1.8946 1.9291 1.9291 3.0915 3.0915 3.4180 3.4180 3.4349 3.4349 6.7903 6.7903 6.7914 6.7914 6.8740 6.8740 7.5909 7.5909 9.2940 9.2940 k = 0.1700 0.1700 0.1700 ( 19969 PWs) bands (ev): -42.6524 -42.6524 -41.0985 -41.0985 -41.0600 -41.0600 -41.0600 -41.0600 -41.0600 -41.0600 -41.0243 -41.0243 -41.0243 -41.0243 -41.0243 -41.0243 -40.9909 -40.9909 -8.5240 -8.5240 -8.0238 -8.0238 -8.0238 -8.0238 -7.1367 -7.1367 -0.1585 -0.1585 0.3443 0.3443 0.3709 0.3709 0.8654 0.8654 0.8697 0.8697 1.3370 1.3370 1.3816 1.3816 1.9008 1.9008 1.9351 1.9351 3.0704 3.0704 3.4099 3.4099 3.4265 3.4265 6.8794 6.8794 6.8806 6.8806 6.9247 6.9247 7.6468 7.6468 9.3349 9.3364 k = 0.1800 0.1800 0.1800 ( 19969 PWs) bands (ev): -42.6524 -42.6524 -41.0982 -41.0982 -41.0599 -41.0599 -41.0599 -41.0599 -41.0599 -41.0599 -41.0244 -41.0244 -41.0244 -41.0244 -41.0244 -41.0244 -40.9911 -40.9911 -8.5121 -8.5121 -8.0301 -8.0301 -8.0301 -8.0301 -7.1369 -7.1369 -0.1787 -0.1787 0.3707 0.3707 0.3990 0.3990 0.8487 0.8487 0.8507 0.8507 1.2725 1.2725 1.4060 1.4060 1.9080 1.9080 1.9421 1.9421 3.0530 3.0530 3.4021 3.4021 3.4184 3.4184 6.9704 6.9704 6.9717 6.9717 6.9736 6.9736 7.7039 7.7039 9.3702 9.3720 k = 0.1900 0.1900 0.1900 ( 19981 PWs) bands (ev): -42.6524 -42.6524 -41.0979 -41.0979 -41.0599 -41.0599 -41.0599 -41.0599 -41.0598 -41.0598 -41.0245 -41.0245 -41.0245 -41.0245 -41.0245 -41.0245 -40.9913 -40.9913 -8.4999 -8.4999 -8.0366 -8.0366 -8.0365 -8.0365 -7.1372 -7.1372 -0.1999 -0.1999 0.3915 0.3915 0.4215 0.4215 0.8389 0.8389 0.8391 0.8391 1.2061 1.2061 1.4314 1.4314 1.9160 1.9160 1.9500 1.9500 3.0394 3.0394 3.3948 3.3948 3.4107 3.4107 7.0202 7.0202 7.0630 7.0630 7.0644 7.0644 7.7625 7.7625 9.3978 9.3978 k = 0.2000 0.2000 0.2000 ( 19999 PWs) bands (ev): -42.6525 -42.6525 -41.0977 -41.0977 -41.0598 -41.0598 -41.0598 -41.0598 -41.0598 -41.0598 -41.0246 -41.0246 -41.0246 -41.0246 -41.0246 -41.0246 -40.9916 -40.9916 -8.4872 -8.4872 -8.0431 -8.0431 -8.0431 -8.0431 -7.1374 -7.1374 -0.2223 -0.2223 0.4046 0.4046 0.4357 0.4357 0.8369 0.8369 0.8387 0.8387 1.1382 1.1382 1.4577 1.4577 1.9248 1.9248 1.9586 1.9586 3.0295 3.0295 3.3880 3.3880 3.4035 3.4035 7.0640 7.0640 7.1567 7.1567 7.1583 7.1583 7.8229 7.8229 9.4147 9.4147 k = 0.2100 0.2100 0.2100 ( 19981 PWs) bands (ev): -42.6524 -42.6524 -41.0973 -41.0973 -41.0597 -41.0597 -41.0597 -41.0597 -41.0597 -41.0597 -41.0247 -41.0247 -41.0247 -41.0247 -41.0247 -41.0247 -40.9918 -40.9918 -8.4742 -8.4742 -8.0498 -8.0498 -8.0498 -8.0498 -7.1375 -7.1375 -0.2457 -0.2457 0.4085 0.4085 0.4397 0.4397 0.8468 0.8468 0.8494 0.8494 1.0693 1.0693 1.4849 1.4849 1.9342 1.9342 1.9679 1.9679 3.0233 3.0233 3.3819 3.3819 3.3969 3.3969 7.1044 7.1044 7.2514 7.2514 7.2530 7.2530 7.8855 7.8855 9.4181 9.4181 k = 0.2200 0.2200 0.2200 ( 19984 PWs) bands (ev): -42.6524 -42.6524 -41.0970 -41.0970 -41.0596 -41.0596 -41.0596 -41.0596 -41.0596 -41.0596 -41.0248 -41.0248 -41.0248 -41.0248 -41.0248 -41.0248 -40.9921 -40.9921 -8.4609 -8.4609 -8.0566 -8.0566 -8.0566 -8.0566 -7.1377 -7.1377 -0.2700 -0.2700 0.4030 0.4030 0.4335 0.4335 0.8687 0.8687 0.8711 0.8711 0.9999 0.9999 1.5130 1.5130 1.9441 1.9441 1.9778 1.9778 3.0206 3.0206 3.3764 3.3764 3.3910 3.3910 7.1414 7.1414 7.3465 7.3465 7.3483 7.3483 7.9503 7.9503 9.4057 9.4058 k = 0.2300 0.2300 0.2300 ( 19996 PWs) bands (ev): -42.6524 -42.6524 -41.0967 -41.0967 -41.0596 -41.0596 -41.0596 -41.0596 -41.0595 -41.0595 -41.0249 -41.0249 -41.0249 -41.0249 -41.0249 -41.0249 -40.9923 -40.9923 -8.4473 -8.4473 -8.0634 -8.0634 -8.0634 -8.0634 -7.1378 -7.1378 -0.2953 -0.2953 0.3894 0.3894 0.4185 0.4185 0.9006 0.9006 0.9029 0.9029 0.9308 0.9308 1.5417 1.5417 1.9544 1.9544 1.9880 1.9880 3.0214 3.0214 3.3716 3.3716 3.3858 3.3858 7.1747 7.1747 7.4420 7.4420 7.4438 7.4438 8.0175 8.0175 9.3764 9.3764 k = 0.2400 0.2400 0.2400 ( 19993 PWs) bands (ev): -42.6524 -42.6524 -41.0964 -41.0964 -41.0595 -41.0595 -41.0595 -41.0595 -41.0595 -41.0595 -41.0250 -41.0250 -41.0250 -41.0250 -41.0250 -41.0250 -40.9926 -40.9926 -8.4335 -8.4335 -8.0702 -8.0702 -8.0702 -8.0702 -7.1379 -7.1379 -0.3213 -0.3213 0.3695 0.3695 0.3970 0.3970 0.8599 0.8599 0.9427 0.9427 0.9430 0.9430 1.5710 1.5710 1.9649 1.9649 1.9986 1.9986 3.0254 3.0254 3.3677 3.3677 3.3814 3.3814 7.2043 7.2043 7.5373 7.5373 7.5393 7.5393 8.0869 8.0869 9.3307 9.3315 k = 0.2500 0.2500 0.2500 ( 19987 PWs) bands (ev): -42.6524 -42.6524 -41.0961 -41.0961 -41.0594 -41.0594 -41.0594 -41.0594 -41.0594 -41.0594 -41.0251 -41.0251 -41.0251 -41.0251 -41.0251 -41.0251 -40.9928 -40.9928 -8.4195 -8.4195 -8.0771 -8.0771 -8.0771 -8.0771 -7.1380 -7.1380 -0.3481 -0.3481 0.3451 0.3451 0.3710 0.3710 0.7911 0.7911 0.9889 0.9889 0.9902 0.9902 1.6009 1.6009 1.9757 1.9757 2.0095 2.0095 3.0325 3.0325 3.3645 3.3645 3.3777 3.3777 7.2303 7.2303 7.6322 7.6322 7.6344 7.6344 8.1585 8.1585 9.2703 9.2710 k = 0.2600 0.2600 0.2600 ( 19987 PWs) bands (ev): -42.6524 -42.6524 -41.0958 -41.0958 -41.0593 -41.0593 -41.0593 -41.0593 -41.0593 -41.0593 -41.0252 -41.0252 -41.0252 -41.0252 -41.0252 -41.0252 -40.9931 -40.9931 -8.4055 -8.4055 -8.0839 -8.0839 -8.0839 -8.0839 -7.1380 -7.1380 -0.3756 -0.3756 0.3178 0.3178 0.3423 0.3423 0.7231 0.7231 1.0399 1.0399 1.0422 1.0422 1.6312 1.6312 1.9866 1.9866 2.0204 2.0204 3.0424 3.0424 3.3623 3.3623 3.3749 3.3749 7.2530 7.2530 7.7263 7.7263 7.7286 7.7286 8.2320 8.2320 9.1977 9.1982 k = 0.2700 0.2700 0.2700 ( 19993 PWs) bands (ev): -42.6524 -42.6524 -41.0954 -41.0954 -41.0592 -41.0592 -41.0592 -41.0592 -41.0592 -41.0592 -41.0253 -41.0253 -41.0253 -41.0253 -41.0253 -41.0253 -40.9933 -40.9933 -8.3914 -8.3914 -8.0906 -8.0906 -8.0906 -8.0906 -7.1380 -7.1380 -0.4037 -0.4037 0.2888 0.2888 0.3119 0.3119 0.6563 0.6563 1.0945 1.0945 1.0978 1.0978 1.6617 1.6617 1.9974 1.9974 2.0313 2.0313 3.0548 3.0548 3.3609 3.3609 3.3730 3.3730 7.2726 7.2726 7.8190 7.8190 7.8215 7.8215 8.3070 8.3070 9.1162 9.1167 k = 0.2800 0.2800 0.2800 ( 19993 PWs) bands (ev): -42.6524 -42.6524 -41.0951 -41.0951 -41.0591 -41.0591 -41.0591 -41.0591 -41.0591 -41.0591 -41.0254 -41.0254 -41.0254 -41.0254 -41.0254 -41.0254 -40.9936 -40.9936 -8.3773 -8.3773 -8.0973 -8.0973 -8.0973 -8.0973 -7.1380 -7.1380 -0.4322 -0.4322 0.2587 0.2587 0.2807 0.2807 0.5912 0.5912 1.1519 1.1519 1.1559 1.1559 1.6925 1.6925 2.0081 2.0081 2.0421 2.0421 3.0696 3.0696 3.3604 3.3604 3.3720 3.3720 7.2893 7.2893 7.9096 7.9096 7.9123 7.9123 8.3833 8.3833 9.0289 9.0290 k = 0.2900 0.2900 0.2900 ( 19982 PWs) bands (ev): -42.6524 -42.6524 -41.0948 -41.0948 -41.0591 -41.0591 -41.0590 -41.0590 -41.0590 -41.0590 -41.0255 -41.0255 -41.0255 -41.0255 -41.0255 -41.0255 -40.9938 -40.9938 -8.3632 -8.3632 -8.1039 -8.1039 -8.1039 -8.1039 -7.1379 -7.1379 -0.4611 -0.4611 0.2283 0.2283 0.2493 0.2493 0.5279 0.5279 1.2112 1.2112 1.2160 1.2160 1.7234 1.7234 2.0186 2.0186 2.0528 2.0528 3.0865 3.0865 3.3608 3.3608 3.3719 3.3719 7.3034 7.3034 7.9969 7.9969 7.9998 7.9998 8.4604 8.4604 8.9393 8.9393 k = 0.3000 0.3000 0.3000 ( 19979 PWs) bands (ev): -42.6524 -42.6524 -41.0945 -41.0945 -41.0590 -41.0590 -41.0590 -41.0590 -41.0590 -41.0590 -41.0256 -41.0256 -41.0256 -41.0256 -41.0256 -41.0256 -40.9941 -40.9941 -8.3493 -8.3493 -8.1103 -8.1103 -8.1103 -8.1103 -7.1378 -7.1378 -0.4904 -0.4904 0.1980 0.1980 0.2180 0.2180 0.4668 0.4668 1.2721 1.2721 1.2774 1.2774 1.7542 1.7542 2.0288 2.0288 2.0632 2.0632 3.1051 3.1051 3.3621 3.3621 3.3727 3.3727 7.3152 7.3152 8.0785 8.0785 8.0817 8.0817 8.5377 8.5377 8.8513 8.8513 k = 0.3100 0.3100 0.3100 ( 19994 PWs) bands (ev): -42.6524 -42.6524 -41.0942 -41.0942 -41.0589 -41.0589 -41.0589 -41.0589 -41.0589 -41.0589 -41.0258 -41.0258 -41.0258 -41.0258 -41.0257 -41.0257 -40.9944 -40.9944 -8.3356 -8.3356 -8.1166 -8.1166 -8.1166 -8.1166 -7.1377 -7.1377 -0.5197 -0.5197 0.1681 0.1681 0.1873 0.1873 0.4081 0.4081 1.3339 1.3339 1.3397 1.3397 1.7849 1.7849 2.0387 2.0387 2.0733 2.0733 3.1253 3.1253 3.3643 3.3643 3.3743 3.3743 7.3250 7.3250 8.1501 8.1501 8.1538 8.1538 8.6148 8.6148 8.7706 8.7706 k = 0.3200 0.3200 0.3200 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0938 -41.0938 -41.0588 -41.0588 -41.0588 -41.0588 -41.0588 -41.0588 -41.0259 -41.0259 -41.0259 -41.0259 -41.0258 -41.0258 -40.9946 -40.9946 -8.3221 -8.3221 -8.1227 -8.1227 -8.1226 -8.1226 -7.1375 -7.1375 -0.5492 -0.5492 0.1388 0.1388 0.1573 0.1573 0.3520 0.3520 1.3962 1.3962 1.4025 1.4025 1.8152 1.8152 2.0482 2.0482 2.0830 2.0830 3.1468 3.1468 3.3672 3.3672 3.3767 3.3767 7.3329 7.3329 8.2032 8.2032 8.2073 8.2073 8.6905 8.6905 8.7076 8.7076 k = 0.3300 0.3300 0.3300 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0935 -41.0935 -41.0587 -41.0587 -41.0587 -41.0587 -41.0587 -41.0587 -41.0260 -41.0260 -41.0260 -41.0260 -41.0259 -41.0259 -40.9948 -40.9948 -8.3088 -8.3088 -8.1285 -8.1285 -8.1285 -8.1285 -7.1373 -7.1373 -0.5785 -0.5785 0.1104 0.1104 0.1283 0.1283 0.2987 0.2987 1.4586 1.4586 1.4653 1.4653 1.8451 1.8451 2.0572 2.0572 2.0922 2.0922 3.1693 3.1693 3.3709 3.3709 3.3799 3.3799 7.3393 7.3393 8.2239 8.2239 8.2281 8.2281 8.6757 8.6757 8.6775 8.6775 k = 0.3400 0.3400 0.3400 ( 20012 PWs) bands (ev): -42.6524 -42.6524 -41.0933 -41.0933 -41.0587 -41.0587 -41.0586 -41.0586 -41.0586 -41.0586 -41.0261 -41.0261 -41.0261 -41.0261 -41.0260 -41.0260 -40.9951 -40.9951 -8.2960 -8.2960 -8.1342 -8.1342 -8.1342 -8.1342 -7.1371 -7.1371 -0.6076 -0.6076 0.0831 0.0831 0.1003 0.1003 0.2483 0.2483 1.5208 1.5208 1.5278 1.5278 1.8744 1.8744 2.0658 2.0658 2.1010 2.1010 3.1926 3.1926 3.3753 3.3753 3.3838 3.3838 7.3443 7.3443 8.2028 8.2028 8.2067 8.2067 8.6871 8.6871 8.6884 8.6884 k = 0.3500 0.3500 0.3500 ( 20003 PWs) bands (ev): -42.6524 -42.6524 -41.0930 -41.0930 -41.0586 -41.0586 -41.0586 -41.0586 -41.0586 -41.0586 -41.0262 -41.0262 -41.0262 -41.0262 -41.0261 -41.0261 -40.9953 -40.9953 -8.2836 -8.2836 -8.1396 -8.1396 -8.1396 -8.1396 -7.1368 -7.1368 -0.6362 -0.6362 0.0570 0.0570 0.0736 0.0736 0.2010 0.2010 1.5823 1.5823 1.5895 1.5895 1.9030 1.9030 2.0739 2.0739 2.1093 2.1093 3.2163 3.2163 3.3802 3.3802 3.3883 3.3883 7.3481 7.3481 8.1486 8.1486 8.1518 8.1518 8.7328 8.7328 8.7335 8.7335 k = 0.3600 0.3600 0.3600 ( 19979 PWs) bands (ev): -42.6524 -42.6524 -41.0927 -41.0927 -41.0585 -41.0585 -41.0585 -41.0585 -41.0585 -41.0585 -41.0263 -41.0263 -41.0263 -41.0263 -41.0262 -41.0262 -40.9955 -40.9955 -8.2716 -8.2716 -8.1448 -8.1448 -8.1448 -8.1448 -7.1365 -7.1365 -0.6643 -0.6643 0.0322 0.0322 0.0483 0.0483 0.1568 0.1568 1.6428 1.6428 1.6501 1.6501 1.9308 1.9308 2.0814 2.0814 2.1170 2.1170 3.2401 3.2401 3.3857 3.3857 3.3933 3.3933 7.3509 7.3509 8.0767 8.0767 8.0793 8.0793 8.7976 8.7976 8.7977 8.7977 k = 0.3700 0.3700 0.3700 ( 19973 PWs) bands (ev): -42.6524 -42.6524 -41.0924 -41.0924 -41.0584 -41.0584 -41.0584 -41.0584 -41.0584 -41.0584 -41.0263 -41.0263 -41.0263 -41.0263 -41.0263 -41.0263 -40.9957 -40.9957 -8.2602 -8.2602 -8.1497 -8.1497 -8.1497 -8.1497 -7.1362 -7.1362 -0.6916 -0.6916 0.0088 0.0088 0.0243 0.0243 0.1159 0.1159 1.7018 1.7018 1.7092 1.7092 1.9575 1.9575 2.0884 2.0884 2.1242 2.1242 3.2639 3.2639 3.3916 3.3916 3.3988 3.3988 7.3529 7.3529 7.9974 7.9974 7.9996 7.9996 8.8711 8.8711 8.8714 8.8714 k = 0.3800 0.3800 0.3800 ( 19979 PWs) bands (ev): -42.6524 -42.6524 -41.0922 -41.0922 -41.0584 -41.0584 -41.0584 -41.0584 -41.0584 -41.0584 -41.0264 -41.0264 -41.0264 -41.0264 -41.0264 -41.0264 -40.9959 -40.9959 -8.2494 -8.2494 -8.1543 -8.1543 -8.1543 -8.1543 -7.1359 -7.1359 -0.7180 -0.7180 -0.0132 -0.0132 0.0018 0.0018 0.0782 0.0782 1.7588 1.7588 1.7663 1.7663 1.9831 1.9831 2.0948 2.0948 2.1308 2.1308 3.2873 3.2873 3.3977 3.3977 3.4045 3.4045 7.3541 7.3541 7.9165 7.9165 7.9182 7.9182 8.9481 8.9481 8.9486 8.9486 k = 0.3900 0.3900 0.3900 ( 19991 PWs) bands (ev): -42.6524 -42.6524 -41.0920 -41.0920 -41.0583 -41.0583 -41.0583 -41.0583 -41.0583 -41.0583 -41.0265 -41.0265 -41.0265 -41.0265 -41.0264 -41.0264 -40.9961 -40.9961 -8.2392 -8.2392 -8.1586 -8.1586 -8.1586 -8.1586 -7.1356 -7.1356 -0.7431 -0.7431 -0.0335 -0.0335 -0.0192 -0.0192 0.0438 0.0438 1.8136 1.8136 1.8209 1.8209 2.0075 2.0075 2.1007 2.1007 2.1369 2.1369 3.3100 3.3100 3.4040 3.4040 3.4104 3.4104 7.3547 7.3547 7.8367 7.8367 7.8382 7.8382 9.0256 9.0256 9.0263 9.0263 k = 0.4000 0.4000 0.4000 ( 19997 PWs) bands (ev): -42.6524 -42.6524 -41.0918 -41.0918 -41.0583 -41.0583 -41.0582 -41.0582 -41.0582 -41.0582 -41.0266 -41.0266 -41.0266 -41.0266 -41.0265 -41.0265 -40.9962 -40.9962 -8.2298 -8.2298 -8.1626 -8.1626 -8.1625 -8.1625 -7.1353 -7.1353 -0.7669 -0.7669 -0.0523 -0.0523 -0.0387 -0.0387 0.0127 0.0127 1.8656 1.8656 1.8726 1.8726 2.0305 2.0305 2.1060 2.1060 2.1424 2.1424 3.3318 3.3318 3.4103 3.4103 3.4163 3.4163 7.3548 7.3548 7.7601 7.7601 7.7613 7.7613 9.0955 9.0955 9.1013 9.1015 k = 0.4100 0.4100 0.4100 ( 19967 PWs) bands (ev): -42.6524 -42.6524 -41.0916 -41.0916 -41.0582 -41.0582 -41.0582 -41.0582 -41.0582 -41.0582 -41.0266 -41.0266 -41.0266 -41.0266 -41.0266 -41.0266 -40.9964 -40.9964 -8.2210 -8.2210 -8.1662 -8.1662 -8.1662 -8.1662 -7.1350 -7.1350 -0.7892 -0.7892 -0.0695 -0.0695 -0.0566 -0.0566 -0.0150 -0.0150 1.9143 1.9143 1.9208 1.9208 2.0520 2.0520 2.1108 2.1108 2.1474 2.1474 3.3525 3.3525 3.4166 3.4166 3.4222 3.4222 7.3546 7.3546 7.6879 7.6879 7.6889 7.6889 9.0984 9.0984 9.1730 9.1732 k = 0.4200 0.4200 0.4200 ( 19991 PWs) bands (ev): -42.6524 -42.6524 -41.0914 -41.0914 -41.0581 -41.0581 -41.0581 -41.0581 -41.0581 -41.0581 -41.0267 -41.0267 -41.0267 -41.0267 -41.0267 -41.0267 -40.9965 -40.9965 -8.2131 -8.2131 -8.1695 -8.1695 -8.1695 -8.1695 -7.1347 -7.1347 -0.8097 -0.8097 -0.0849 -0.0849 -0.0731 -0.0731 -0.0394 -0.0394 1.9594 1.9594 1.9651 1.9651 2.0721 2.0721 2.1152 2.1152 2.1519 2.1519 3.3717 3.3717 3.4226 3.4226 3.4279 3.4279 7.3541 7.3541 7.6209 7.6209 7.6217 7.6217 9.0933 9.0933 9.2380 9.2385 k = 0.4300 0.4300 0.4300 ( 19991 PWs) bands (ev): -42.6524 -42.6524 -41.0913 -41.0913 -41.0581 -41.0581 -41.0581 -41.0581 -41.0581 -41.0581 -41.0268 -41.0268 -41.0268 -41.0268 -41.0267 -41.0267 -40.9967 -40.9967 -8.2060 -8.2060 -8.1724 -8.1724 -8.1724 -8.1724 -7.1344 -7.1344 -0.8282 -0.8282 -0.0986 -0.0986 -0.0881 -0.0881 -0.0603 -0.0603 2.0003 2.0003 2.0047 2.0047 2.0908 2.0908 2.1191 2.1191 2.1559 2.1559 3.3892 3.3892 3.4283 3.4283 3.4333 3.4333 7.3534 7.3534 7.5601 7.5601 7.5607 7.5607 9.0833 9.0833 9.2927 9.2934 k = 0.4400 0.4400 0.4400 ( 19973 PWs) bands (ev): -42.6524 -42.6524 -41.0911 -41.0911 -41.0581 -41.0581 -41.0580 -41.0580 -41.0580 -41.0580 -41.0268 -41.0268 -41.0268 -41.0268 -41.0268 -41.0268 -40.9968 -40.9968 -8.1997 -8.1997 -8.1749 -8.1749 -8.1749 -8.1749 -7.1342 -7.1342 -0.8447 -0.8447 -0.1105 -0.1105 -0.1016 -0.1016 -0.0779 -0.0779 2.0366 2.0366 2.0389 2.0389 2.1083 2.1083 2.1225 2.1225 2.1596 2.1596 3.4049 3.4049 3.4335 3.4335 3.4382 3.4382 7.3526 7.3526 7.5060 7.5060 7.5065 7.5065 9.0710 9.0710 9.3338 9.3343 k = 0.4500 0.4500 0.4500 ( 19955 PWs) bands (ev): -42.6524 -42.6524 -41.0910 -41.0910 -41.0580 -41.0580 -41.0580 -41.0580 -41.0580 -41.0580 -41.0268 -41.0268 -41.0268 -41.0268 -41.0268 -41.0268 -40.9969 -40.9969 -8.1944 -8.1944 -8.1771 -8.1771 -8.1771 -8.1771 -7.1339 -7.1339 -0.8589 -0.8589 -0.1206 -0.1206 -0.1137 -0.1137 -0.0920 -0.0920 2.0668 2.0668 2.0679 2.0679 2.1247 2.1247 2.1257 2.1257 2.1628 2.1628 3.4184 3.4184 3.4383 3.4383 3.4426 3.4426 7.3518 7.3518 7.4593 7.4593 7.4596 7.4596 9.0583 9.0583 9.3601 9.3603 k = 0.4600 0.4600 0.4600 ( 19955 PWs) bands (ev): -42.6524 -42.6524 -41.0909 -41.0909 -41.0580 -41.0580 -41.0580 -41.0580 -41.0580 -41.0580 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9969 -40.9969 -8.1900 -8.1900 -8.1789 -8.1789 -8.1789 -8.1789 -7.1337 -7.1337 -0.8707 -0.8707 -0.1289 -0.1289 -0.1241 -0.1241 -0.1031 -0.1031 2.0880 2.0880 2.0936 2.0936 2.1287 2.1287 2.1401 2.1401 2.1659 2.1659 3.4295 3.4295 3.4424 3.4424 3.4463 3.4463 7.3511 7.3511 7.4204 7.4204 7.4206 7.4206 9.0465 9.0465 9.3738 9.3740 k = 0.4700 0.4700 0.4700 ( 19931 PWs) bands (ev): -42.6524 -42.6524 -41.0908 -41.0908 -41.0580 -41.0580 -41.0580 -41.0580 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9970 -40.9970 -8.1865 -8.1865 -8.1803 -8.1803 -8.1803 -8.1803 -7.1336 -7.1336 -0.8800 -0.8800 -0.1354 -0.1354 -0.1325 -0.1325 -0.1113 -0.1113 2.1024 2.1024 2.1135 2.1135 2.1317 2.1317 2.1539 2.1539 2.1688 2.1688 3.4380 3.4380 3.4462 3.4462 3.4493 3.4493 7.3504 7.3504 7.3896 7.3896 7.3898 7.3898 9.0365 9.0365 9.3796 9.3797 k = 0.4800 0.4800 0.4800 ( 19910 PWs) bands (ev): -42.6524 -42.6524 -41.0908 -41.0908 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9970 -40.9970 -8.1841 -8.1841 -8.1813 -8.1813 -8.1813 -8.1813 -7.1335 -7.1335 -0.8867 -0.8867 -0.1400 -0.1400 -0.1387 -0.1387 -0.1171 -0.1171 2.1111 2.1111 2.1271 2.1271 2.1345 2.1345 2.1650 2.1650 2.1715 2.1715 3.4434 3.4434 3.4496 3.4496 3.4515 3.4515 7.3500 7.3500 7.3674 7.3674 7.3675 7.3675 9.0290 9.0290 9.3812 9.3812 k = 0.4900 0.4900 0.4900 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0907 -41.0907 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9971 -40.9971 -8.1826 -8.1826 -8.1819 -8.1819 -8.1819 -8.1819 -7.1334 -7.1334 -0.8907 -0.8907 -0.1428 -0.1428 -0.1425 -0.1425 -0.1204 -0.1204 2.1155 2.1155 2.1349 2.1349 2.1366 2.1366 2.1721 2.1721 2.1737 2.1737 3.4461 3.4461 3.4523 3.4523 3.4528 3.4528 7.3497 7.3497 7.3540 7.3540 7.3541 7.3541 9.0243 9.0243 9.3813 9.3813 k = 0.5000 0.5000 0.5000 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0907 -41.0907 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9971 -40.9971 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -7.1334 -7.1334 -0.8921 -0.8921 -0.1438 -0.1438 -0.1438 -0.1438 -0.1215 -0.1215 2.1168 2.1168 2.1374 2.1374 2.1374 2.1374 2.1745 2.1745 2.1745 2.1745 3.4468 3.4468 3.4533 3.4533 3.4533 3.4533 7.3495 7.3495 7.3495 7.3495 7.3496 7.3496 9.0227 9.0227 9.3812 9.3812 k = 0.5000 0.5000 0.5000 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0907 -41.0907 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9971 -40.9971 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -7.1334 -7.1334 -0.8921 -0.8921 -0.1438 -0.1438 -0.1438 -0.1438 -0.1215 -0.1215 2.1168 2.1168 2.1374 2.1374 2.1374 2.1374 2.1745 2.1745 2.1745 2.1745 3.4468 3.4468 3.4533 3.4533 3.4533 3.4533 7.3495 7.3495 7.3495 7.3495 7.3496 7.3496 9.0227 9.0227 9.3812 9.3812 k = 0.4878 0.5000 0.4878 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0907 -41.0907 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9971 -40.9971 -8.1824 -8.1824 -8.1821 -8.1821 -8.1817 -8.1817 -7.1334 -7.1334 -0.8907 -0.8907 -0.1429 -0.1429 -0.1425 -0.1425 -0.1204 -0.1204 2.1155 2.1155 2.1350 2.1350 2.1366 2.1366 2.1722 2.1722 2.1736 2.1736 3.4461 3.4461 3.4523 3.4523 3.4528 3.4528 7.3510 7.3510 7.3513 7.3513 7.3553 7.3553 9.0243 9.0243 9.3802 9.3803 k = 0.4756 0.5000 0.4756 ( 19912 PWs) bands (ev): -42.6524 -42.6524 -41.0908 -41.0908 -41.0580 -41.0580 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9970 -40.9970 -8.1835 -8.1835 -8.1822 -8.1822 -8.1808 -8.1808 -7.1335 -7.1335 -0.8867 -0.8867 -0.1403 -0.1403 -0.1386 -0.1386 -0.1171 -0.1171 2.1110 2.1110 2.1277 2.1277 2.1340 2.1340 2.1658 2.1658 2.1710 2.1710 3.4436 3.4436 3.4496 3.4496 3.4514 3.4514 7.3553 7.3553 7.3567 7.3567 7.3726 7.3726 9.0289 9.0289 9.3768 9.3768 k = 0.4634 0.5000 0.4634 ( 19926 PWs) bands (ev): -42.6524 -42.6524 -41.0908 -41.0908 -41.0580 -41.0580 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0268 -41.0268 -40.9970 -40.9970 -8.1854 -8.1854 -8.1825 -8.1825 -8.1792 -8.1792 -7.1336 -7.1336 -0.8801 -0.8801 -0.1361 -0.1361 -0.1321 -0.1321 -0.1113 -0.1113 2.1000 2.1000 2.1174 2.1174 2.1297 2.1297 2.1572 2.1572 2.1666 2.1666 3.4387 3.4387 3.4457 3.4457 3.4493 3.4493 7.3625 7.3625 7.3656 7.3656 7.4011 7.4011 9.0365 9.0365 9.3698 9.3698 k = 0.4512 0.5000 0.4512 ( 19950 PWs) bands (ev): -42.6524 -42.6524 -41.0909 -41.0909 -41.0581 -41.0581 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0268 -41.0268 -40.9969 -40.9969 -8.1880 -8.1880 -8.1828 -8.1828 -8.1770 -8.1770 -7.1337 -7.1337 -0.8708 -0.8708 -0.1305 -0.1305 -0.1231 -0.1231 -0.1030 -0.1030 2.0778 2.0778 2.1079 2.1079 2.1236 2.1236 2.1474 2.1474 2.1606 2.1606 3.4311 3.4311 3.4410 3.4410 3.4465 3.4465 7.3724 7.3724 7.3780 7.3780 7.4404 7.4404 9.0467 9.0467 9.3573 9.3573 k = 0.4390 0.5000 0.4390 ( 19966 PWs) bands (ev): -42.6524 -42.6524 -41.0910 -41.0910 -41.0582 -41.0582 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0267 -41.0267 -40.9969 -40.9969 -8.1912 -8.1912 -8.1832 -8.1832 -8.1741 -8.1741 -7.1339 -7.1339 -0.8590 -0.8590 -0.1235 -0.1235 -0.1117 -0.1117 -0.0919 -0.0919 2.0454 2.0454 2.0984 2.0984 2.1158 2.1158 2.1367 2.1367 2.1531 2.1531 3.4212 3.4212 3.4354 3.4354 3.4430 3.4430 7.3851 7.3851 7.3938 7.3938 7.4900 7.4900 9.0590 9.0590 9.3375 9.3375 k = 0.4268 0.5000 0.4268 ( 19954 PWs) bands (ev): -42.6524 -42.6524 -41.0911 -41.0911 -41.0583 -41.0583 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0266 -41.0266 -40.9968 -40.9968 -8.1952 -8.1952 -8.1836 -8.1836 -8.1707 -8.1707 -7.1342 -7.1342 -0.8448 -0.8448 -0.1153 -0.1153 -0.0981 -0.0981 -0.0779 -0.0779 2.0050 2.0050 2.0876 2.0876 2.1062 2.1062 2.1247 2.1247 2.1442 2.1442 3.4093 3.4093 3.4287 3.4287 3.4390 3.4390 7.4004 7.4004 7.4131 7.4131 7.5492 7.5492 9.0731 9.0731 9.3091 9.3091 k = 0.4146 0.5000 0.4146 ( 19970 PWs) bands (ev): -42.6524 -42.6524 -41.0912 -41.0912 -41.0584 -41.0584 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0265 -41.0265 -40.9967 -40.9967 -8.1998 -8.1998 -8.1842 -8.1842 -8.1667 -8.1667 -7.1344 -7.1344 -0.8282 -0.8282 -0.1059 -0.1059 -0.0823 -0.0823 -0.0607 -0.0607 1.9580 1.9580 2.0751 2.0751 2.0947 2.0947 2.1112 2.1112 2.1341 2.1341 3.3958 3.3958 3.4211 3.4211 3.4345 3.4345 7.4183 7.4183 7.4356 7.4356 7.6172 7.6172 9.0879 9.0879 9.2720 9.2720 k = 0.4024 0.5000 0.4024 ( 19974 PWs) bands (ev): -42.6524 -42.6524 -41.0914 -41.0914 -41.0586 -41.0586 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0263 -41.0263 -40.9966 -40.9966 -8.2050 -8.2050 -8.1849 -8.1849 -8.1621 -8.1621 -7.1347 -7.1347 -0.8094 -0.8094 -0.0952 -0.0952 -0.0645 -0.0645 -0.0403 -0.0403 1.9052 1.9052 2.0607 2.0607 2.0810 2.0810 2.0961 2.0961 2.1231 2.1231 3.3809 3.3809 3.4125 3.4125 3.4293 3.4293 7.4387 7.4387 7.4615 7.4615 7.6933 7.6933 9.1023 9.1023 9.2277 9.2277 k = 0.3902 0.5000 0.3902 ( 19974 PWs) bands (ev): -42.6524 -42.6524 -41.0916 -41.0916 -41.0587 -41.0587 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0268 -41.0268 -41.0262 -41.0262 -40.9964 -40.9964 -8.2108 -8.2108 -8.1856 -8.1856 -8.1569 -8.1569 -7.1350 -7.1350 -0.7886 -0.7886 -0.0833 -0.0833 -0.0448 -0.0448 -0.0167 -0.0167 1.8475 1.8475 2.0444 2.0444 2.0653 2.0653 2.0794 2.0794 2.1114 2.1114 3.3649 3.3649 3.4031 3.4031 3.4237 3.4237 7.4613 7.4613 7.4904 7.4904 7.7765 7.7765 9.1143 9.1143 9.1783 9.1783 k = 0.3780 0.5000 0.3780 ( 19982 PWs) bands (ev): -42.6524 -42.6524 -41.0917 -41.0917 -41.0589 -41.0589 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0268 -41.0268 -41.0260 -41.0260 -40.9963 -40.9963 -8.2172 -8.2172 -8.1864 -8.1864 -8.1513 -8.1513 -7.1353 -7.1353 -0.7657 -0.7657 -0.0702 -0.0702 -0.0233 -0.0233 0.0101 0.0101 1.7856 1.7856 2.0261 2.0261 2.0472 2.0472 2.0610 2.0610 2.0991 2.0991 3.3481 3.3481 3.3928 3.3928 3.4175 3.4175 7.4862 7.4862 7.5225 7.5225 7.8659 7.8659 9.1205 9.1205 9.1255 9.1255 k = 0.3659 0.5000 0.3659 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0919 -41.0919 -41.0591 -41.0591 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0268 -41.0268 -41.0258 -41.0258 -40.9961 -40.9961 -8.2240 -8.2240 -8.1873 -8.1873 -8.1452 -8.1452 -7.1357 -7.1357 -0.7410 -0.7410 -0.0558 -0.0558 0.0001 0.0001 0.0401 0.0401 1.7203 1.7203 2.0060 2.0060 2.0270 2.0270 2.0410 2.0410 2.0862 2.0862 3.3310 3.3310 3.3818 3.3818 3.4109 3.4109 7.5131 7.5131 7.5574 7.5574 7.9608 7.9608 9.0710 9.0710 9.1160 9.1160 k = 0.3537 0.5000 0.3537 ( 19992 PWs) bands (ev): -42.6524 -42.6524 -41.0922 -41.0922 -41.0593 -41.0593 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0268 -41.0268 -41.0256 -41.0256 -40.9959 -40.9959 -8.2313 -8.2313 -8.1882 -8.1882 -8.1385 -8.1385 -7.1360 -7.1360 -0.7146 -0.7146 -0.0402 -0.0402 0.0251 0.0251 0.0731 0.0731 1.6521 1.6521 1.9840 1.9840 2.0046 2.0046 2.0195 2.0195 2.0730 2.0730 3.3137 3.3137 3.3700 3.3700 3.4039 3.4039 7.5418 7.5418 7.5951 7.5951 8.0601 8.0601 9.0159 9.0159 9.0933 9.0933 k = 0.3415 0.5000 0.3415 ( 19986 PWs) bands (ev): -42.6524 -42.6524 -41.0924 -41.0924 -41.0595 -41.0595 -41.0579 -41.0579 -41.0578 -41.0578 -41.0269 -41.0269 -41.0268 -41.0268 -41.0254 -41.0254 -40.9958 -40.9958 -8.2390 -8.2390 -8.1892 -8.1892 -8.1315 -8.1315 -7.1363 -7.1363 -0.6867 -0.6867 -0.0234 -0.0234 0.0519 0.0519 0.1093 0.1093 1.5819 1.5819 1.9603 1.9603 1.9803 1.9803 1.9964 1.9964 2.0593 2.0593 3.2965 3.2965 3.3577 3.3577 3.3966 3.3966 7.5722 7.5722 7.6355 7.6355 8.1631 8.1631 8.9611 8.9611 9.0147 9.0147 k = 0.3293 0.5000 0.3293 ( 19982 PWs) bands (ev): -42.6524 -42.6524 -41.0926 -41.0926 -41.0597 -41.0597 -41.0579 -41.0579 -41.0578 -41.0578 -41.0269 -41.0269 -41.0268 -41.0268 -41.0252 -41.0252 -40.9956 -40.9956 -8.2470 -8.2470 -8.1903 -8.1903 -8.1241 -8.1241 -7.1366 -7.1366 -0.6574 -0.6574 -0.0052 -0.0052 0.0802 0.0802 0.1484 0.1484 1.5100 1.5100 1.9348 1.9348 1.9540 1.9540 1.9717 1.9717 2.0454 2.0454 3.2797 3.2797 3.3448 3.3448 3.3889 3.3889 7.6040 7.6040 7.6782 7.6782 8.2688 8.2688 8.9074 8.9074 8.9366 8.9366 k = 0.3171 0.5000 0.3171 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0929 -41.0929 -41.0599 -41.0599 -41.0579 -41.0579 -41.0578 -41.0578 -41.0268 -41.0268 -41.0267 -41.0267 -41.0250 -41.0250 -40.9954 -40.9954 -8.2554 -8.2554 -8.1914 -8.1914 -8.1163 -8.1163 -7.1369 -7.1369 -0.6268 -0.6268 0.0141 0.0141 0.1099 0.1099 0.1903 0.1903 1.4371 1.4371 1.9077 1.9077 1.9261 1.9261 1.9456 1.9456 2.0311 2.0311 3.2636 3.2636 3.3314 3.3314 3.3809 3.3809 7.6371 7.6371 7.7233 7.7233 8.3766 8.3766 8.8550 8.8550 8.8602 8.8602 k = 0.3049 0.5000 0.3049 ( 19984 PWs) bands (ev): -42.6524 -42.6524 -41.0931 -41.0931 -41.0601 -41.0601 -41.0579 -41.0579 -41.0578 -41.0578 -41.0268 -41.0268 -41.0267 -41.0267 -41.0247 -41.0247 -40.9952 -40.9952 -8.2640 -8.2640 -8.1926 -8.1926 -8.1082 -8.1082 -7.1372 -7.1372 -0.5950 -0.5950 0.0346 0.0346 0.1411 0.1411 0.2351 0.2351 1.3637 1.3637 1.8790 1.8790 1.8967 1.8967 1.9180 1.9180 2.0167 2.0167 3.2483 3.2483 3.3175 3.3175 3.3728 3.3728 7.6711 7.6711 7.7703 7.7703 8.4855 8.4855 8.7853 8.7853 8.8048 8.8048 k = 0.2927 0.5000 0.2927 ( 19986 PWs) bands (ev): -42.6524 -42.6524 -41.0934 -41.0934 -41.0604 -41.0604 -41.0579 -41.0579 -41.0578 -41.0578 -41.0268 -41.0268 -41.0267 -41.0267 -41.0245 -41.0245 -40.9950 -40.9950 -8.2727 -8.2727 -8.1939 -8.1939 -8.0999 -8.0999 -7.1375 -7.1375 -0.5622 -0.5622 0.0564 0.0564 0.1734 0.1734 0.2823 0.2823 1.2902 1.2902 1.8488 1.8488 1.8659 1.8659 1.8890 1.8890 2.0021 2.0021 3.2341 3.2341 3.3030 3.3030 3.3644 3.3644 7.7057 7.7057 7.8191 7.8191 8.5949 8.5949 8.7128 8.7128 8.7565 8.7565 k = 0.2805 0.5000 0.2805 ( 19982 PWs) bands (ev): -42.6524 -42.6524 -41.0936 -41.0936 -41.0606 -41.0606 -41.0578 -41.0578 -41.0578 -41.0578 -41.0268 -41.0268 -41.0267 -41.0267 -41.0243 -41.0243 -40.9948 -40.9948 -8.2816 -8.2816 -8.1952 -8.1952 -8.0913 -8.0913 -7.1377 -7.1377 -0.5284 -0.5284 0.0793 0.0793 0.2069 0.2069 0.3320 0.3320 1.2171 1.2171 1.8174 1.8174 1.8340 1.8340 1.8588 1.8588 1.9874 1.9874 3.2212 3.2212 3.2881 3.2881 3.3559 3.3559 7.7406 7.7406 7.8692 7.8692 8.6424 8.6424 8.7021 8.7021 8.7128 8.7128 k = 0.2683 0.5000 0.2683 ( 19992 PWs) bands (ev): -42.6524 -42.6524 -41.0939 -41.0939 -41.0609 -41.0609 -41.0578 -41.0578 -41.0578 -41.0578 -41.0268 -41.0268 -41.0267 -41.0267 -41.0240 -41.0240 -40.9946 -40.9946 -8.2906 -8.2906 -8.1965 -8.1965 -8.0826 -8.0826 -7.1379 -7.1379 -0.4938 -0.4938 0.1033 0.1033 0.2413 0.2413 0.3837 0.3837 1.1447 1.1447 1.7848 1.7848 1.8012 1.8012 1.8273 1.8273 1.9727 1.9727 3.2096 3.2096 3.2727 3.2727 3.3474 3.3474 7.7752 7.7752 7.9201 7.9201 8.5751 8.5751 8.6669 8.6669 8.6709 8.6709 k = 0.2561 0.5000 0.2561 ( 19984 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0578 -41.0578 -41.0578 -41.0578 -41.0268 -41.0268 -41.0267 -41.0267 -41.0238 -41.0238 -40.9943 -40.9943 -8.2996 -8.2996 -8.1978 -8.1978 -8.0737 -8.0737 -7.1381 -7.1381 -0.4584 -0.4584 0.1285 0.1285 0.2767 0.2767 0.4372 0.4372 1.0734 1.0734 1.7513 1.7513 1.7676 1.7676 1.7946 1.7946 1.9580 1.9580 3.1995 3.1995 3.2567 3.2567 3.3388 3.3388 7.8090 7.8090 7.9709 7.9709 8.5111 8.5111 8.5985 8.5985 8.6262 8.6262 k = 0.2439 0.5000 0.2439 ( 19990 PWs) bands (ev): -42.6524 -42.6524 -41.0944 -41.0944 -41.0613 -41.0613 -41.0578 -41.0578 -41.0578 -41.0578 -41.0268 -41.0268 -41.0266 -41.0266 -41.0236 -41.0236 -40.9941 -40.9941 -8.3086 -8.3086 -8.1992 -8.1992 -8.0648 -8.0648 -7.1382 -7.1382 -0.4223 -0.4223 0.1548 0.1548 0.3127 0.3127 0.4920 0.4920 1.0036 1.0036 1.7173 1.7173 1.7333 1.7333 1.7609 1.7609 1.9435 1.9435 3.1909 3.1909 3.2402 3.2402 3.3302 3.3302 7.8409 7.8409 8.0200 8.0200 8.4511 8.4511 8.5286 8.5286 8.5880 8.5880 k = 0.2317 0.5000 0.2317 ( 19994 PWs) bands (ev): -42.6524 -42.6524 -41.0947 -41.0947 -41.0615 -41.0615 -41.0578 -41.0578 -41.0577 -41.0577 -41.0267 -41.0267 -41.0266 -41.0266 -41.0233 -41.0233 -40.9939 -40.9939 -8.3175 -8.3175 -8.2005 -8.2005 -8.0558 -8.0558 -7.1383 -7.1383 -0.3856 -0.3856 0.1821 0.1821 0.3493 0.3493 0.5476 0.5476 0.9355 0.9355 1.6830 1.6830 1.6986 1.6986 1.7262 1.7262 1.9292 1.9292 3.1839 3.1839 3.2231 3.2231 3.3217 3.3217 7.8697 7.8697 8.0644 8.0644 8.3962 8.3962 8.4646 8.4646 8.5525 8.5525 k = 0.2195 0.5000 0.2195 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0949 -41.0949 -41.0618 -41.0618 -41.0578 -41.0578 -41.0577 -41.0577 -41.0267 -41.0267 -41.0266 -41.0266 -41.0231 -41.0231 -40.9937 -40.9937 -8.3263 -8.3263 -8.2019 -8.2019 -8.0469 -8.0469 -7.1384 -7.1384 -0.3484 -0.3484 0.2105 0.2105 0.3864 0.3864 0.6033 0.6033 0.8696 0.8696 1.6489 1.6489 1.6637 1.6637 1.6906 1.6906 1.9152 1.9152 3.1785 3.1785 3.2053 3.2053 3.3133 3.3133 7.8935 7.8935 8.0973 8.0973 8.3482 8.3482 8.4133 8.4133 8.5198 8.5198 k = 0.2073 0.5000 0.2073 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0952 -41.0952 -41.0620 -41.0620 -41.0578 -41.0578 -41.0577 -41.0577 -41.0267 -41.0267 -41.0266 -41.0266 -41.0229 -41.0229 -40.9935 -40.9935 -8.3349 -8.3349 -8.2032 -8.2032 -8.0380 -8.0380 -7.1384 -7.1384 -0.3106 -0.3106 0.2398 0.2398 0.4238 0.4238 0.6582 0.6582 0.8061 0.8061 1.6153 1.6153 1.6291 1.6291 1.6544 1.6544 1.9015 1.9015 3.1746 3.1746 3.1870 3.1870 3.3051 3.3051 7.9095 7.9095 8.1066 8.1066 8.3096 8.3096 8.3872 8.3872 8.4897 8.4897 k = 0.1951 0.5000 0.1951 ( 20012 PWs) bands (ev): -42.6524 -42.6524 -41.0954 -41.0954 -41.0622 -41.0622 -41.0577 -41.0577 -41.0577 -41.0577 -41.0267 -41.0267 -41.0266 -41.0266 -41.0227 -41.0227 -40.9933 -40.9933 -8.3433 -8.3433 -8.2046 -8.2046 -8.0293 -8.0293 -7.1384 -7.1384 -0.2723 -0.2723 0.2701 0.2701 0.4614 0.4614 0.7090 0.7090 0.7477 0.7477 1.5819 1.5819 1.5957 1.5957 1.6176 1.6176 1.8883 1.8883 3.1671 3.1671 3.1730 3.1730 3.2971 3.2971 7.9145 7.9145 8.0837 8.0837 8.2832 8.2832 8.3949 8.3949 8.4622 8.4622 k = 0.1829 0.5000 0.1829 ( 19988 PWs) bands (ev): -42.6524 -42.6524 -41.0956 -41.0956 -41.0624 -41.0624 -41.0577 -41.0577 -41.0577 -41.0577 -41.0267 -41.0267 -41.0266 -41.0266 -41.0224 -41.0224 -40.9931 -40.9931 -8.3514 -8.3514 -8.2059 -8.2059 -8.0208 -8.0208 -7.1384 -7.1384 -0.2338 -0.2338 0.3012 0.3012 0.4991 0.4991 0.6837 0.6837 0.7652 0.7652 1.5478 1.5478 1.5653 1.5653 1.5809 1.5809 1.8755 1.8755 3.1475 3.1475 3.1719 3.1719 3.2893 3.2893 7.9065 7.9065 8.0369 8.0369 8.2710 8.2710 8.4285 8.4285 8.4373 8.4373 k = 0.1707 0.5000 0.1707 ( 19978 PWs) bands (ev): -42.6524 -42.6524 -41.0959 -41.0959 -41.0626 -41.0626 -41.0577 -41.0577 -41.0577 -41.0577 -41.0267 -41.0267 -41.0266 -41.0266 -41.0222 -41.0222 -40.9930 -40.9930 -8.3592 -8.3592 -8.2072 -8.2072 -8.0125 -8.0125 -7.1383 -7.1383 -0.1949 -0.1949 0.3331 0.3331 0.5367 0.5367 0.6290 0.6290 0.8104 0.8104 1.5124 1.5124 1.5365 1.5365 1.5480 1.5480 1.8633 1.8633 3.1268 3.1268 3.1724 3.1724 3.2818 3.2818 7.8859 7.8859 7.9786 7.9786 8.2723 8.2723 8.4148 8.4148 8.4756 8.4756 k = 0.1585 0.5000 0.1585 ( 19998 PWs) bands (ev): -42.6524 -42.6524 -41.0961 -41.0961 -41.0628 -41.0628 -41.0577 -41.0577 -41.0577 -41.0577 -41.0266 -41.0266 -41.0266 -41.0266 -41.0220 -41.0220 -40.9928 -40.9928 -8.3667 -8.3667 -8.2084 -8.2084 -8.0045 -8.0045 -7.1382 -7.1382 -0.1558 -0.1558 0.3656 0.3656 0.5728 0.5728 0.5784 0.5784 0.8498 0.8498 1.4760 1.4760 1.5016 1.5016 1.5281 1.5281 1.8517 1.8517 3.1054 3.1054 3.1743 3.1743 3.2746 3.2746 7.8556 7.8556 7.9163 7.9163 8.2839 8.2839 8.3947 8.3947 8.5290 8.5290 k = 0.1463 0.5000 0.1463 ( 20002 PWs) bands (ev): -42.6524 -42.6524 -41.0963 -41.0963 -41.0630 -41.0630 -41.0577 -41.0577 -41.0577 -41.0577 -41.0266 -41.0266 -41.0266 -41.0266 -41.0219 -41.0219 -40.9926 -40.9926 -8.3737 -8.3737 -8.2096 -8.2096 -7.9969 -7.9969 -7.1381 -7.1381 -0.1167 -0.1167 0.3985 0.3985 0.5281 0.5281 0.6117 0.6117 0.8808 0.8808 1.4389 1.4389 1.4644 1.4644 1.5190 1.5190 1.8408 1.8408 3.0832 3.0832 3.1772 3.1772 3.2677 3.2677 7.8193 7.8193 7.8535 7.8535 8.3020 8.3020 8.3769 8.3769 8.5851 8.5851 k = 0.1341 0.5000 0.1341 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0965 -41.0965 -41.0632 -41.0632 -41.0577 -41.0577 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0217 -41.0217 -40.9925 -40.9925 -8.3803 -8.3803 -8.2108 -8.2108 -7.9897 -7.9897 -7.1380 -7.1380 -0.0776 -0.0776 0.4302 0.4302 0.4846 0.4846 0.6488 0.6488 0.9017 0.9017 1.4012 1.4012 1.4271 1.4271 1.5200 1.5200 1.8305 1.8305 3.0603 3.0603 3.1810 3.1810 3.2613 3.2613 7.7799 7.7799 7.7921 7.7921 8.3235 8.3235 8.3613 8.3613 8.6422 8.6422 k = 0.1220 0.5000 0.1220 ( 19992 PWs) bands (ev): -42.6524 -42.6524 -41.0967 -41.0967 -41.0633 -41.0633 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0215 -41.0215 -40.9923 -40.9923 -8.3865 -8.3865 -8.2118 -8.2118 -7.9829 -7.9829 -7.1379 -7.1379 -0.0388 -0.0388 0.4327 0.4327 0.4743 0.4743 0.6855 0.6855 0.9117 0.9117 1.3630 1.3630 1.3902 1.3902 1.5311 1.5311 1.8211 1.8211 3.0369 3.0369 3.1855 3.1855 3.2554 3.2554 7.7332 7.7332 7.7395 7.7395 8.3455 8.3455 8.3484 8.3484 8.6990 8.6990 k = 0.1098 0.5000 0.1098 ( 20014 PWs) bands (ev): -42.6525 -42.6525 -41.0969 -41.0969 -41.0635 -41.0635 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0214 -41.0214 -40.9922 -40.9922 -8.3922 -8.3922 -8.2128 -8.2128 -7.9766 -7.9766 -7.1378 -7.1378 -0.0005 -0.0005 0.3977 0.3977 0.5055 0.5055 0.7218 0.7218 0.9113 0.9113 1.3246 1.3246 1.3539 1.3539 1.5513 1.5513 1.8126 1.8126 3.0133 3.0133 3.1906 3.1906 3.2499 3.2499 7.6777 7.6777 7.6995 7.6995 8.3357 8.3357 8.3689 8.3689 8.7547 8.7547 k = 0.0976 0.5000 0.0976 ( 19996 PWs) bands (ev): -42.6525 -42.6525 -41.0970 -41.0970 -41.0636 -41.0636 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0213 -41.0213 -40.9921 -40.9921 -8.3973 -8.3973 -8.2137 -8.2137 -7.9708 -7.9708 -7.1377 -7.1377 0.0369 0.0369 0.3636 0.3636 0.5398 0.5398 0.7576 0.7576 0.9023 0.9023 1.2861 1.2861 1.3182 1.3182 1.5786 1.5786 1.8049 1.8049 2.9896 2.9896 3.1959 3.1959 3.2449 3.2449 7.6264 7.6264 7.6611 7.6611 8.3256 8.3256 8.3900 8.3900 8.8082 8.8082 k = 0.0854 0.5000 0.0854 ( 19996 PWs) bands (ev): -42.6525 -42.6525 -41.0971 -41.0971 -41.0637 -41.0637 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0211 -41.0211 -40.9920 -40.9920 -8.4019 -8.4019 -8.2146 -8.2146 -7.9657 -7.9657 -7.1375 -7.1375 0.0731 0.0731 0.3330 0.3330 0.5743 0.5743 0.7927 0.7927 0.8870 0.8870 1.2479 1.2479 1.2831 1.2831 1.6101 1.6101 1.7983 1.7983 2.9663 2.9663 3.2013 3.2013 3.2405 3.2405 7.5797 7.5797 7.6252 7.6252 8.3172 8.3172 8.4090 8.4090 8.8588 8.8588 k = 0.0732 0.5000 0.0732 ( 20008 PWs) bands (ev): -42.6525 -42.6525 -41.0972 -41.0972 -41.0638 -41.0638 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0210 -41.0210 -40.9919 -40.9919 -8.4059 -8.4059 -8.2153 -8.2153 -7.9611 -7.9611 -7.1374 -7.1374 0.1074 0.1074 0.3063 0.3063 0.6084 0.6084 0.8265 0.8265 0.8684 0.8684 1.2105 1.2105 1.2486 1.2486 1.6433 1.6433 1.7928 1.7928 2.9439 2.9439 3.2064 3.2064 3.2367 3.2367 7.5382 7.5382 7.5924 7.5924 8.3101 8.3101 8.4252 8.4252 8.9056 8.9056 k = 0.0610 0.5000 0.0610 ( 20012 PWs) bands (ev): -42.6525 -42.6525 -41.0973 -41.0973 -41.0639 -41.0639 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0210 -41.0210 -40.9918 -40.9918 -8.4094 -8.4094 -8.2159 -8.2159 -7.9572 -7.9572 -7.1373 -7.1373 0.1390 0.1390 0.2839 0.2839 0.6415 0.6415 0.8408 0.8408 0.8669 0.8669 1.1744 1.1744 1.2148 1.2148 1.6754 1.6754 1.7886 1.7886 2.9230 2.9230 3.2111 3.2111 3.2335 3.2335 7.5023 7.5023 7.5635 7.5635 8.3044 8.3044 8.4385 8.4385 8.9474 8.9474 k = 0.0488 0.5000 0.0488 ( 20016 PWs) bands (ev): -42.6525 -42.6525 -41.0974 -41.0974 -41.0640 -41.0640 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0209 -41.0209 -40.9917 -40.9917 -8.4122 -8.4122 -8.2164 -8.2164 -7.9539 -7.9539 -7.1372 -7.1372 0.1669 0.1669 0.2660 0.2660 0.6728 0.6728 0.8217 0.8217 0.8981 0.8981 1.1405 1.1405 1.1818 1.1818 1.7039 1.7039 1.7862 1.7862 2.9043 2.9043 3.2150 3.2150 3.2311 3.2311 7.4724 7.4724 7.5390 7.5390 8.2999 8.2999 8.4487 8.4487 8.9254 8.9254 k = 0.0366 0.5000 0.0366 ( 20022 PWs) bands (ev): -42.6525 -42.6525 -41.0975 -41.0975 -41.0640 -41.0640 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9917 -40.9917 -8.4145 -8.4145 -8.2168 -8.2168 -7.9514 -7.9514 -7.1371 -7.1371 0.1894 0.1894 0.2533 0.2533 0.7009 0.7009 0.8025 0.8025 0.9307 0.9307 1.1097 1.1097 1.1500 1.1500 1.7264 1.7264 1.7862 1.7862 2.8885 2.8885 3.2178 3.2178 3.2296 3.2296 7.4488 7.4488 7.5194 7.5194 8.2965 8.2965 8.4561 8.4561 8.9024 8.9024 k = 0.0244 0.5000 0.0244 ( 20016 PWs) bands (ev): -42.6525 -42.6525 -41.0975 -41.0975 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9916 -40.9916 -8.4160 -8.4160 -8.2171 -8.2171 -7.9496 -7.9496 -7.1371 -7.1371 0.2041 0.2041 0.2468 0.2468 0.7242 0.7242 0.7866 0.7866 0.9622 0.9622 1.0834 1.0834 1.1207 1.1207 1.7410 1.7410 1.7888 1.7888 2.8766 2.8766 3.2195 3.2195 3.2291 3.2291 7.4317 7.4317 7.5051 7.5051 8.2941 8.2941 8.4609 8.4609 8.8867 8.8867 k = 0.0122 0.5000 0.0122 ( 20014 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9916 -40.9916 -8.4170 -8.4170 -8.2173 -8.2173 -7.9485 -7.9485 -7.1370 -7.1370 0.2104 0.2104 0.2462 0.2462 0.7403 0.7403 0.7758 0.7758 0.9906 0.9906 1.0620 1.0620 1.0976 1.0976 1.7480 1.7480 1.7926 1.7926 2.8692 2.8692 3.2201 3.2201 3.2291 3.2291 7.4214 7.4214 7.4964 7.4964 8.2927 8.2927 8.4635 8.4635 8.8776 8.8776 k = 0.0000 0.5000-0.0000 ( 20058 PWs) bands (ev): -42.6525 -42.6525 -41.0976 -41.0976 -41.0641 -41.0641 -41.0576 -41.0576 -41.0576 -41.0576 -41.0266 -41.0266 -41.0266 -41.0266 -41.0208 -41.0208 -40.9916 -40.9916 -8.4173 -8.4173 -8.2173 -8.2173 -7.9481 -7.9481 -7.1370 -7.1370 0.2115 0.2115 0.2470 0.2470 0.7463 0.7463 0.7717 0.7717 1.0059 1.0059 1.0502 1.0502 1.0883 1.0883 1.7500 1.7500 1.7944 1.7944 2.8666 2.8666 3.2203 3.2203 3.2292 3.2292 7.4180 7.4180 7.4935 7.4935 8.2923 8.2923 8.4644 8.4644 8.8746 8.8746 k = 0.5000 0.5000-0.0000 ( 19968 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.1971 -8.1971 -8.1970 -8.1970 -8.1850 -8.1850 -7.1412 -7.1412 -0.0975 -0.0975 0.0288 0.0288 0.6599 0.6599 0.7269 0.7269 0.7487 0.7487 1.1180 1.1180 1.1180 1.1180 2.0993 2.0993 2.1190 2.1190 3.1226 3.1226 3.2662 3.2662 3.2674 3.2674 7.8733 7.8733 7.8739 7.8739 8.8478 8.8478 9.1656 9.1656 9.1769 9.1769 k = 0.5000 0.5000 0.0172 ( 20016 PWs) bands (ev): -42.6524 -42.6524 -41.0941 -41.0941 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.1970 -8.1970 -8.1970 -8.1970 -8.1850 -8.1850 -7.1412 -7.1412 -0.1034 -0.1034 0.0283 0.0283 0.6642 0.6642 0.7216 0.7216 0.7392 0.7392 1.1271 1.1271 1.1280 1.1280 2.0995 2.0995 2.1191 2.1191 3.1236 3.1236 3.2667 3.2667 3.2678 3.2678 7.8724 7.8724 7.8730 7.8730 8.8489 8.8489 9.1647 9.1647 9.1759 9.1759 k = 0.5000 0.5000 0.0345 ( 20008 PWs) bands (ev): -42.6524 -42.6524 -41.0940 -41.0940 -41.0611 -41.0611 -41.0611 -41.0611 -41.0546 -41.0546 -41.0296 -41.0296 -41.0238 -41.0238 -41.0238 -41.0238 -40.9944 -40.9944 -8.1969 -8.1969 -8.1969 -8.1969 -8.1850 -8.1850 -7.1411 -7.1411 -0.1206 -0.1206 0.0267 0.0267 0.6659 0.6659 0.7134 0.7134 0.7181 0.7181 1.1524 1.1524 1.1553 1.1553 2.0999 2.0999 2.1194 2.1194 3.1265 3.1265 3.2681 3.2681 3.2692 3.2692 7.8697 7.8697 7.8703 7.8703 8.8523 8.8523 9.1620 9.1620 9.1732 9.1732 k = 0.5000 0.5000 0.0517 ( 19992 PWs) bands (ev): -42.6524 -42.6524 -41.0940 -41.0940 -41.0610 -41.0610 -41.0610 -41.0610 -41.0546 -41.0546 -41.0295 -41.0295 -41.0239 -41.0239 -41.0239 -41.0239 -40.9944 -40.9944 -8.1967 -8.1967 -8.1967 -8.1967 -8.1849 -8.1849 -7.1410 -7.1410 -0.1471 -0.1471 0.0241 0.0241 0.6424 0.6424 0.6765 0.6765 0.7417 0.7417 1.1893 1.1893 1.1946 1.1946 2.1005 2.1005 2.1200 2.1200 3.1313 3.1313 3.2704 3.2704 3.2715 3.2715 7.8650 7.8650 7.8655 7.8655 8.8579 8.8579 9.1579 9.1579 9.1689 9.1689 k = 0.5000 0.5000 0.0690 ( 20008 PWs) bands (ev): -42.6524 -42.6524 -41.0939 -41.0939 -41.0610 -41.0610 -41.0610 -41.0610 -41.0547 -41.0547 -41.0295 -41.0295 -41.0239 -41.0239 -41.0239 -41.0239 -40.9945 -40.9945 -8.1964 -8.1964 -8.1964 -8.1964 -8.1849 -8.1849 -7.1409 -7.1409 -0.1807 -0.1807 0.0205 0.0205 0.6042 0.6042 0.6333 0.6333 0.7837 0.7837 1.2337 1.2337 1.2412 1.2412 2.1014 2.1014 2.1207 2.1207 3.1380 3.1380 3.2737 3.2737 3.2746 3.2746 7.8583 7.8583 7.8588 7.8588 8.8656 8.8656 9.1529 9.1529 9.1637 9.1637 k = 0.5000 0.5000 0.0862 ( 19996 PWs) bands (ev): -42.6524 -42.6524 -41.0939 -41.0939 -41.0609 -41.0609 -41.0609 -41.0609 -41.0548 -41.0548 -41.0294 -41.0294 -41.0240 -41.0240 -41.0240 -41.0240 -40.9946 -40.9946 -8.1960 -8.1960 -8.1960 -8.1960 -8.1848 -8.1848 -7.1407 -7.1407 -0.2193 -0.2193 0.0160 0.0160 0.5605 0.5605 0.5867 0.5867 0.8356 0.8356 1.2827 1.2827 1.2920 1.2920 2.1025 2.1025 2.1217 2.1217 3.1465 3.1465 3.2778 3.2778 3.2786 3.2786 7.8494 7.8494 7.8498 7.8498 8.8755 8.8755 9.1476 9.1476 9.1581 9.1581 k = 0.5000 0.5000 0.1034 ( 19988 PWs) bands (ev): -42.6524 -42.6524 -41.0938 -41.0938 -41.0608 -41.0608 -41.0608 -41.0608 -41.0549 -41.0549 -41.0293 -41.0293 -41.0241 -41.0241 -41.0241 -41.0241 -40.9946 -40.9946 -8.1955 -8.1955 -8.1955 -8.1955 -8.1847 -8.1847 -7.1404 -7.1404 -0.2612 -0.2612 0.0107 0.0107 0.5143 0.5143 0.5385 0.5385 0.8944 0.8944 1.3344 1.3344 1.3453 1.3453 2.1038 2.1038 2.1228 2.1228 3.1566 3.1566 3.2828 3.2828 3.2835 3.2835 7.8382 7.8382 7.8385 7.8385 8.8875 8.8875 9.1429 9.1429 9.1531 9.1531 k = 0.5000 0.5000 0.1207 ( 19980 PWs) bands (ev): -42.6524 -42.6524 -41.0937 -41.0937 -41.0607 -41.0607 -41.0607 -41.0607 -41.0550 -41.0550 -41.0292 -41.0292 -41.0242 -41.0242 -41.0242 -41.0242 -40.9947 -40.9947 -8.1950 -8.1950 -8.1950 -8.1950 -8.1846 -8.1846 -7.1401 -7.1401 -0.3048 -0.3048 0.0045 0.0045 0.4671 0.4671 0.4899 0.4899 0.9582 0.9582 1.3875 1.3875 1.3998 1.3998 2.1054 2.1054 2.1242 2.1242 3.1682 3.1682 3.2886 3.2886 3.2891 3.2891 7.8245 7.8245 7.8247 7.8247 8.9016 8.9016 9.1394 9.1394 9.1495 9.1495 k = 0.5000 0.5000 0.1379 ( 19988 PWs) bands (ev): -42.6524 -42.6524 -41.0935 -41.0935 -41.0606 -41.0606 -41.0606 -41.0606 -41.0551 -41.0551 -41.0291 -41.0291 -41.0243 -41.0243 -41.0243 -41.0243 -40.9948 -40.9948 -8.1944 -8.1944 -8.1944 -8.1944 -8.1845 -8.1845 -7.1398 -7.1398 -0.3493 -0.3493 -0.0023 -0.0023 0.4199 0.4199 0.4415 0.4415 1.0257 1.0257 1.4412 1.4412 1.4548 1.4548 2.1071 2.1071 2.1257 2.1257 3.1813 3.1813 3.2952 3.2952 3.2955 3.2955 7.8082 7.8082 7.8083 7.8083 8.9176 8.9176 9.1267 9.1267 9.1430 9.1430 k = 0.5000 0.5000 0.1552 ( 19960 PWs) bands (ev): -42.6524 -42.6524 -41.0934 -41.0934 -41.0604 -41.0604 -41.0604 -41.0604 -41.0553 -41.0553 -41.0290 -41.0290 -41.0244 -41.0244 -41.0244 -41.0244 -40.9949 -40.9949 -8.1938 -8.1938 -8.1938 -8.1938 -8.1844 -8.1844 -7.1395 -7.1395 -0.3938 -0.3938 -0.0098 -0.0098 0.3732 0.3732 0.3938 0.3938 1.0959 1.0959 1.4949 1.4949 1.5096 1.5096 2.1091 2.1091 2.1273 2.1273 3.1955 3.1955 3.3025 3.3025 3.3026 3.3026 7.7893 7.7893 7.7893 7.7893 8.9354 8.9354 9.0007 9.0007 9.1411 9.1411 k = 0.5000 0.5000 0.1724 ( 19984 PWs) bands (ev): -42.6524 -42.6524 -41.0932 -41.0932 -41.0603 -41.0603 -41.0603 -41.0603 -41.0554 -41.0554 -41.0289 -41.0289 -41.0246 -41.0246 -41.0246 -41.0246 -40.9951 -40.9951 -8.1931 -8.1931 -8.1931 -8.1931 -8.1842 -8.1842 -7.1391 -7.1391 -0.4377 -0.4377 -0.0178 -0.0178 0.3274 0.3274 0.3473 0.3473 1.1680 1.1680 1.5481 1.5481 1.5638 1.5638 2.1112 2.1112 2.1291 2.1291 3.2109 3.2109 3.3103 3.3103 3.3104 3.3104 7.7677 7.7677 7.7678 7.7678 8.8721 8.8721 8.9549 8.9549 9.1467 9.1467 k = 0.5000 0.5000 0.1897 ( 19996 PWs) bands (ev): -42.6524 -42.6524 -41.0931 -41.0931 -41.0602 -41.0602 -41.0602 -41.0602 -41.0556 -41.0556 -41.0288 -41.0288 -41.0247 -41.0247 -41.0247 -41.0247 -40.9952 -40.9952 -8.1924 -8.1924 -8.1923 -8.1923 -8.1841 -8.1841 -7.1388 -7.1388 -0.4806 -0.4806 -0.0262 -0.0262 0.2829 0.2829 0.3021 0.3021 1.2414 1.2414 1.6004 1.6004 1.6171 1.6171 2.1134 2.1134 2.1310 2.1310 3.2271 3.2271 3.3186 3.3186 3.3190 3.3190 7.7438 7.7438 7.7440 7.7440 8.7451 8.7451 8.9760 8.9760 9.1566 9.1566 k = 0.5000 0.5000 0.2069 ( 20004 PWs) bands (ev): -42.6524 -42.6524 -41.0929 -41.0929 -41.0600 -41.0600 -41.0600 -41.0600 -41.0557 -41.0557 -41.0287 -41.0287 -41.0249 -41.0249 -41.0249 -41.0249 -40.9953 -40.9953 -8.1916 -8.1916 -8.1916 -8.1916 -8.1839 -8.1839 -7.1384 -7.1384 -0.5222 -0.5222 -0.0349 -0.0349 0.2399 0.2399 0.2586 0.2586 1.3154 1.3154 1.6514 1.6514 1.6690 1.6690 2.1157 2.1157 2.1329 2.1329 3.2440 3.2440 3.3274 3.3274 3.3280 3.3280 7.7177 7.7177 7.7180 7.7180 8.6202 8.6202 8.9985 8.9985 9.1713 9.1713 k = 0.5000 0.5000 0.2241 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0927 -41.0927 -41.0598 -41.0598 -41.0598 -41.0598 -41.0559 -41.0559 -41.0285 -41.0285 -41.0250 -41.0250 -41.0250 -41.0250 -40.9955 -40.9955 -8.1908 -8.1908 -8.1908 -8.1908 -8.1838 -8.1838 -7.1379 -7.1379 -0.5623 -0.5623 -0.0438 -0.0438 0.1986 0.1986 0.2168 0.2168 1.3896 1.3896 1.7010 1.7010 1.7194 1.7194 2.1181 2.1181 2.1350 2.1350 3.2613 3.2613 3.3367 3.3367 3.3375 3.3375 7.6898 7.6898 7.6902 7.6902 8.4980 8.4980 9.0220 9.0220 9.1908 9.1908 k = 0.5000 0.5000 0.2414 ( 20016 PWs) bands (ev): -42.6524 -42.6524 -41.0926 -41.0926 -41.0597 -41.0597 -41.0597 -41.0597 -41.0561 -41.0561 -41.0284 -41.0284 -41.0252 -41.0252 -41.0252 -41.0252 -40.9956 -40.9956 -8.1900 -8.1900 -8.1900 -8.1900 -8.1836 -8.1836 -7.1375 -7.1375 -0.6005 -0.6005 -0.0528 -0.0528 0.1592 0.1592 0.1770 0.1770 1.4633 1.4633 1.7487 1.7487 1.7679 1.7679 2.1206 2.1206 2.1371 2.1371 3.2790 3.2790 3.3462 3.3462 3.3474 3.3474 7.6605 7.6605 7.6609 7.6609 8.3790 8.3790 9.0463 9.0463 9.2154 9.2154 k = 0.5000 0.5000 0.2586 ( 20016 PWs) bands (ev): -42.6524 -42.6524 -41.0924 -41.0924 -41.0595 -41.0595 -41.0595 -41.0595 -41.0563 -41.0563 -41.0282 -41.0282 -41.0254 -41.0254 -41.0254 -41.0254 -40.9957 -40.9957 -8.1892 -8.1892 -8.1892 -8.1892 -8.1834 -8.1834 -7.1371 -7.1371 -0.6367 -0.6367 -0.0618 -0.0618 0.1217 0.1217 0.1393 0.1393 1.5361 1.5361 1.7943 1.7943 1.8142 1.8142 2.1232 2.1232 2.1393 2.1393 3.2967 3.2967 3.3560 3.3560 3.3574 3.3574 7.6303 7.6303 7.6308 7.6308 8.2636 8.2636 9.0708 9.0708 9.2449 9.2449 k = 0.5000 0.5000 0.2759 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0922 -41.0922 -41.0593 -41.0593 -41.0593 -41.0593 -41.0565 -41.0565 -41.0281 -41.0281 -41.0256 -41.0256 -41.0256 -41.0256 -40.9959 -40.9959 -8.1884 -8.1884 -8.1884 -8.1884 -8.1833 -8.1833 -7.1367 -7.1367 -0.6709 -0.6709 -0.0707 -0.0707 0.0864 0.0864 0.1037 0.1037 1.6074 1.6074 1.8377 1.8377 1.8583 1.8583 2.1258 2.1258 2.1415 2.1415 3.3143 3.3143 3.3659 3.3659 3.3676 3.3676 7.5996 7.5996 7.6001 7.6001 8.1523 8.1523 9.0946 9.0946 9.2792 9.2792 k = 0.5000 0.5000 0.2931 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0920 -41.0920 -41.0592 -41.0592 -41.0592 -41.0592 -41.0566 -41.0566 -41.0280 -41.0280 -41.0257 -41.0257 -41.0257 -41.0257 -40.9960 -40.9960 -8.1876 -8.1876 -8.1876 -8.1876 -8.1831 -8.1831 -7.1363 -7.1363 -0.7028 -0.7028 -0.0794 -0.0794 0.0534 0.0534 0.0705 0.0705 1.6767 1.6767 1.8786 1.8786 1.8999 1.8999 2.1284 2.1284 2.1437 2.1437 3.3316 3.3316 3.3758 3.3758 3.3777 3.3777 7.5689 7.5689 7.5694 7.5694 8.0458 8.0458 9.1161 9.1161 9.2834 9.2834 k = 0.5000 0.5000 0.3103 ( 20004 PWs) bands (ev): -42.6524 -42.6524 -41.0919 -41.0919 -41.0590 -41.0590 -41.0590 -41.0590 -41.0568 -41.0568 -41.0278 -41.0278 -41.0259 -41.0259 -41.0259 -41.0259 -40.9962 -40.9962 -8.1868 -8.1868 -8.1868 -8.1868 -8.1830 -8.1830 -7.1359 -7.1359 -0.7325 -0.7325 -0.0878 -0.0878 0.0227 0.0227 0.0396 0.0396 1.7435 1.7435 1.9168 1.9168 1.9387 1.9387 2.1310 2.1310 2.1459 2.1459 3.3483 3.3483 3.3856 3.3856 3.3878 3.3878 7.5388 7.5388 7.5393 7.5393 7.9446 7.9446 9.1319 9.1319 9.2615 9.2615 k = 0.5000 0.5000 0.3276 ( 20004 PWs) bands (ev): -42.6524 -42.6524 -41.0917 -41.0917 -41.0588 -41.0588 -41.0588 -41.0588 -41.0570 -41.0570 -41.0277 -41.0277 -41.0260 -41.0260 -41.0260 -41.0260 -40.9963 -40.9963 -8.1861 -8.1861 -8.1861 -8.1861 -8.1828 -8.1828 -7.1355 -7.1355 -0.7598 -0.7598 -0.0958 -0.0958 -0.0057 -0.0057 0.0112 0.0112 1.8072 1.8072 1.9522 1.9522 1.9745 1.9745 2.1336 2.1336 2.1480 2.1480 3.3642 3.3642 3.3951 3.3951 3.3975 3.3975 7.5097 7.5097 7.5101 7.5101 7.8493 7.8493 9.1367 9.1367 9.2529 9.2529 k = 0.5000 0.5000 0.3448 ( 20012 PWs) bands (ev): -42.6524 -42.6524 -41.0915 -41.0915 -41.0587 -41.0587 -41.0587 -41.0587 -41.0571 -41.0571 -41.0276 -41.0276 -41.0262 -41.0262 -41.0262 -41.0262 -40.9965 -40.9965 -8.1854 -8.1854 -8.1854 -8.1854 -8.1827 -8.1827 -7.1351 -7.1351 -0.7846 -0.7846 -0.1034 -0.1034 -0.0315 -0.0315 -0.0146 -0.0146 1.8671 1.8671 1.9845 1.9845 2.0073 2.0073 2.1362 2.1362 2.1502 2.1502 3.3793 3.3793 3.4043 3.4043 3.4069 3.4069 7.4820 7.4820 7.4824 7.4824 7.7605 7.7605 9.1285 9.1285 9.2593 9.2593 k = 0.5000 0.5000 0.3621 ( 20016 PWs) bands (ev): -42.6524 -42.6524 -41.0914 -41.0914 -41.0585 -41.0585 -41.0585 -41.0585 -41.0573 -41.0573 -41.0274 -41.0274 -41.0263 -41.0263 -41.0263 -41.0263 -40.9966 -40.9966 -8.1847 -8.1847 -8.1847 -8.1847 -8.1826 -8.1826 -7.1348 -7.1348 -0.8069 -0.8069 -0.1105 -0.1105 -0.0548 -0.0548 -0.0377 -0.0377 1.9228 1.9228 2.0136 2.0136 2.0367 2.0367 2.1389 2.1389 2.1525 2.1525 3.3932 3.3932 3.4130 3.4130 3.4157 3.4157 7.4561 7.4561 7.4565 7.4565 7.6788 7.6788 9.1125 9.1125 9.2750 9.2750 k = 0.5000 0.5000 0.3793 ( 20000 PWs) bands (ev): -42.6524 -42.6524 -41.0912 -41.0912 -41.0584 -41.0584 -41.0584 -41.0584 -41.0574 -41.0574 -41.0273 -41.0273 -41.0265 -41.0265 -41.0265 -41.0265 -40.9967 -40.9967 -8.1841 -8.1841 -8.1841 -8.1841 -8.1825 -8.1825 -7.1345 -7.1345 -0.8268 -0.8268 -0.1171 -0.1171 -0.0754 -0.0754 -0.0582 -0.0582 1.9734 1.9734 2.0394 2.0394 2.0627 2.0627 2.1418 2.1418 2.1548 2.1548 3.4058 3.4058 3.4211 3.4211 3.4239 3.4239 7.4325 7.4325 7.4327 7.4327 7.6049 7.6049 9.0944 9.0944 9.2944 9.2944 k = 0.5000 0.5000 0.3966 ( 19976 PWs) bands (ev): -42.6524 -42.6524 -41.0911 -41.0911 -41.0583 -41.0583 -41.0583 -41.0583 -41.0576 -41.0576 -41.0272 -41.0272 -41.0266 -41.0266 -41.0266 -41.0266 -40.9968 -40.9968 -8.1836 -8.1836 -8.1836 -8.1836 -8.1824 -8.1824 -7.1342 -7.1342 -0.8440 -0.8440 -0.1231 -0.1231 -0.0934 -0.0934 -0.0758 -0.0758 2.0183 2.0183 2.0617 2.0617 2.0849 2.0849 2.1449 2.1449 2.1574 2.1574 3.4170 3.4170 3.4286 3.4286 3.4313 3.4313 7.4113 7.4113 7.4115 7.4115 7.5393 7.5393 9.0767 9.0767 9.3142 9.3142 k = 0.5000 0.5000 0.4138 ( 19976 PWs) bands (ev): -42.6524 -42.6524 -41.0910 -41.0910 -41.0582 -41.0582 -41.0582 -41.0582 -41.0577 -41.0577 -41.0271 -41.0271 -41.0267 -41.0267 -41.0267 -41.0267 -40.9969 -40.9969 -8.1831 -8.1831 -8.1831 -8.1831 -8.1823 -8.1823 -7.1339 -7.1339 -0.8586 -0.8586 -0.1285 -0.1285 -0.1087 -0.1087 -0.0905 -0.0905 2.0567 2.0567 2.0804 2.0804 2.1031 2.1031 2.1487 2.1487 2.1603 2.1603 3.4265 3.4265 3.4353 3.4353 3.4378 3.4378 7.3929 7.3929 7.3931 7.3931 7.4826 7.4826 9.0609 9.0609 9.3329 9.3329 k = 0.5000 0.5000 0.4310 ( 19956 PWs) bands (ev): -42.6524 -42.6524 -41.0909 -41.0909 -41.0581 -41.0581 -41.0581 -41.0581 -41.0578 -41.0578 -41.0271 -41.0271 -41.0268 -41.0268 -41.0268 -41.0268 -40.9969 -40.9969 -8.1828 -8.1828 -8.1828 -8.1828 -8.1822 -8.1822 -7.1337 -7.1337 -0.8706 -0.8706 -0.1333 -0.1333 -0.1213 -0.1213 -0.1022 -0.1022 2.0870 2.0870 2.0961 2.0961 2.1171 2.1171 2.1534 2.1534 2.1636 2.1636 3.4342 3.4342 3.4412 3.4412 3.4432 3.4432 7.3776 7.3776 7.3777 7.3777 7.4354 7.4354 9.0474 9.0474 9.3493 9.3494 k = 0.5000 0.5000 0.4483 ( 19940 PWs) bands (ev): -42.6524 -42.6524 -41.0908 -41.0908 -41.0580 -41.0580 -41.0580 -41.0580 -41.0578 -41.0578 -41.0270 -41.0270 -41.0268 -41.0268 -41.0268 -41.0268 -40.9970 -40.9970 -8.1825 -8.1825 -8.1825 -8.1825 -8.1821 -8.1821 -7.1336 -7.1336 -0.8800 -0.8800 -0.1375 -0.1375 -0.1311 -0.1311 -0.1110 -0.1110 2.1037 2.1037 2.1134 2.1134 2.1270 2.1270 2.1594 2.1594 2.1674 2.1674 3.4399 3.4399 3.4462 3.4462 3.4476 3.4476 7.3654 7.3654 7.3655 7.3655 7.3982 7.3982 9.0367 9.0367 9.3629 9.3629 k = 0.5000 0.5000 0.4655 ( 19920 PWs) bands (ev): -42.6524 -42.6524 -41.0908 -41.0908 -41.0580 -41.0580 -41.0580 -41.0580 -41.0579 -41.0579 -41.0270 -41.0270 -41.0269 -41.0269 -41.0269 -41.0269 -40.9970 -40.9970 -8.1822 -8.1822 -8.1822 -8.1822 -8.1821 -8.1821 -7.1335 -7.1335 -0.8867 -0.8867 -0.1408 -0.1408 -0.1381 -0.1381 -0.1170 -0.1170 2.1114 2.1114 2.1275 2.1275 2.1332 2.1332 2.1664 2.1664 2.1710 2.1710 3.4438 3.4438 3.4500 3.4500 3.4507 3.4507 7.3566 7.3566 7.3567 7.3567 7.3713 7.3713 9.0290 9.0290 9.3729 9.3729 k = 0.5000 0.5000 0.4828 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0907 -41.0907 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9971 -40.9971 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -7.1334 -7.1334 -0.8907 -0.8907 -0.1430 -0.1430 -0.1424 -0.1424 -0.1204 -0.1204 2.1155 2.1155 2.1351 2.1351 2.1364 2.1364 2.1723 2.1723 2.1736 2.1736 3.4461 3.4461 3.4525 3.4525 3.4526 3.4526 7.3513 7.3513 7.3513 7.3513 7.3550 7.3550 9.0243 9.0243 9.3791 9.3792 k = 0.5000 0.5000 0.5000 ( 19952 PWs) bands (ev): -42.6524 -42.6524 -41.0907 -41.0907 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0579 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -41.0269 -40.9971 -40.9971 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -8.1821 -7.1334 -7.1334 -0.8921 -0.8921 -0.1438 -0.1438 -0.1438 -0.1438 -0.1215 -0.1215 2.1168 2.1168 2.1374 2.1374 2.1374 2.1374 2.1745 2.1745 2.1745 2.1745 3.4468 3.4468 3.4533 3.4533 3.4533 3.4533 7.3495 7.3495 7.3495 7.3495 7.3496 7.3496 9.0227 9.0227 9.3812 9.3812 Writing output data file Li9S3N.save init_run : 0.38s CPU 0.52s WALL ( 1 calls) electrons : 392.01s CPU 395.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 392.00s CPU 395.33s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.29s CPU 0.41s WALL ( 225 calls) cegterg : 340.13s CPU 342.21s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 230.99s CPU 232.48s WALL ( 7593 calls) s_psi : 18.39s CPU 18.33s WALL ( 7593 calls) g_psi : 0.92s CPU 0.94s WALL ( 6911 calls) cdiaghg : 60.76s CPU 61.56s WALL ( 7136 calls) cegterg:over : 22.63s CPU 22.68s WALL ( 6911 calls) cegterg:upda : 25.13s CPU 25.13s WALL ( 6911 calls) cegterg:last : 10.41s CPU 10.35s WALL ( 908 calls) cdiaghg:chol : 3.57s CPU 3.55s WALL ( 7136 calls) cdiaghg:inve : 2.42s CPU 2.38s WALL ( 7136 calls) cdiaghg:para : 3.70s CPU 3.81s WALL ( 14272 calls) Called by h_psi: h_psi:vloc : 188.42s CPU 189.89s WALL ( 7593 calls) h_psi:vnl : 41.21s CPU 41.28s WALL ( 7593 calls) add_vuspsi : 20.17s CPU 20.19s WALL ( 7593 calls) General routines calbec : 21.00s CPU 21.06s WALL ( 7593 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 177.98s CPU 179.16s WALL ( 728220 calls) davcio : 0.26s CPU 0.69s WALL ( 450 calls) Parallel routines fft_scatter : 58.62s CPU 58.78s WALL ( 728235 calls) PWSCF : 7m 9.36s CPU 7m26.63s WALL This run was terminated on: 20:27:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=