Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:34: 5 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: ./NaLiS.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 52 52 15 2784 2784 415 Max 53 53 16 2793 2793 419 Sum 1893 1893 545 100347 100347 15011 bravais-lattice index = 14 lattice parameter (alat) = 7.6080 a.u. unit-cell volume = 710.4331 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 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)= 7.608037 celldm(2)= 1.000000 celldm(3)= 1.613264 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 1.613264 ) 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 0.619861 ) 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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) Na 9.00 22.98980 Na( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0028090 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0028090 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028090 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028090 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0028090 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028090 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0028090 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0028090 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0028090 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028090 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028090 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028090 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0028090 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028090 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028090 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028090 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028090 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0028090 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0028090 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028090 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0028090 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0028090 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028090 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0028090 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028090 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0028090 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0028090 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028090 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0028090 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028090 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0028090 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028090 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0028090 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0028090 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0028090 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028090 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028090 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0028090 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0028090 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0028090 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0028090 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028090 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028090 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0028090 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0028090 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0028090 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0028090 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0028090 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0028090 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0028090 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028090 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0028090 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028090 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028090 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028090 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0028090 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028090 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028090 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028090 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028090 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028090 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028090 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028090 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0028090 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0028090 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028090 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028090 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028090 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028090 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028090 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028090 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028090 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0028090 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028090 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0028090 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0028090 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028090 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028090 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0028090 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028090 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0028090 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028090 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0028090 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0028090 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0028090 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028090 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0028090 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0028090 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0028090 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028090 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028090 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028090 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028090 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028090 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0028090 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028090 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0028090 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028090 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028090 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0028090 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0028090 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028090 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0028090 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028090 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0028090 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028090 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0028090 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028090 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028090 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028090 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0028090 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028090 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0028090 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0028090 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028090 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028090 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0028090 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028090 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0028090 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0028090 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0028090 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028090 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028090 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028090 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028090 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 141) = ( 0.0000000 0.0000000 0.0123972), wk = 0.0028090 k( 142) = ( 0.0000000 0.0000000 0.0247945), wk = 0.0028090 k( 143) = ( 0.0000000 0.0000000 0.0371917), wk = 0.0028090 k( 144) = ( 0.0000000 0.0000000 0.0495889), wk = 0.0028090 k( 145) = ( 0.0000000 0.0000000 0.0619861), wk = 0.0028090 k( 146) = ( 0.0000000 0.0000000 0.0743834), wk = 0.0028090 k( 147) = ( 0.0000000 0.0000000 0.0867806), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.0991778), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.1115751), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.1239723), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.1363695), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.1487667), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.1611640), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.1735612), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.1859584), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.1983557), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.2107529), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.2231501), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.2355473), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.2479446), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.2603418), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.2727390), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.2851363), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.2975335), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.3099307), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.3099307), wk = 0.0028090 k( 167) = ( 0.0000000 0.0125000 0.3099307), wk = 0.0028090 k( 168) = ( 0.0000000 0.0250000 0.3099307), wk = 0.0028090 k( 169) = ( 0.0000000 0.0375000 0.3099307), wk = 0.0028090 k( 170) = ( 0.0000000 0.0500000 0.3099307), wk = 0.0028090 k( 171) = ( 0.0000000 0.0625000 0.3099307), wk = 0.0028090 k( 172) = ( 0.0000000 0.0750000 0.3099307), wk = 0.0028090 k( 173) = ( 0.0000000 0.0875000 0.3099307), wk = 0.0028090 k( 174) = ( 0.0000000 0.1000000 0.3099307), wk = 0.0028090 k( 175) = ( 0.0000000 0.1125000 0.3099307), wk = 0.0028090 k( 176) = ( 0.0000000 0.1250000 0.3099307), wk = 0.0028090 k( 177) = ( 0.0000000 0.1375000 0.3099307), wk = 0.0028090 k( 178) = ( 0.0000000 0.1500000 0.3099307), wk = 0.0028090 k( 179) = ( 0.0000000 0.1625000 0.3099307), wk = 0.0028090 k( 180) = ( 0.0000000 0.1750000 0.3099307), wk = 0.0028090 k( 181) = ( 0.0000000 0.1875000 0.3099307), wk = 0.0028090 k( 182) = ( 0.0000000 0.2000000 0.3099307), wk = 0.0028090 k( 183) = ( 0.0000000 0.2125000 0.3099307), wk = 0.0028090 k( 184) = ( 0.0000000 0.2250000 0.3099307), wk = 0.0028090 k( 185) = ( 0.0000000 0.2375000 0.3099307), wk = 0.0028090 k( 186) = ( 0.0000000 0.2500000 0.3099307), wk = 0.0028090 k( 187) = ( 0.0000000 0.2625000 0.3099307), wk = 0.0028090 k( 188) = ( 0.0000000 0.2750000 0.3099307), wk = 0.0028090 k( 189) = ( 0.0000000 0.2875000 0.3099307), wk = 0.0028090 k( 190) = ( 0.0000000 0.3000000 0.3099307), wk = 0.0028090 k( 191) = ( 0.0000000 0.3125000 0.3099307), wk = 0.0028090 k( 192) = ( 0.0000000 0.3250000 0.3099307), wk = 0.0028090 k( 193) = ( 0.0000000 0.3375000 0.3099307), wk = 0.0028090 k( 194) = ( 0.0000000 0.3500000 0.3099307), wk = 0.0028090 k( 195) = ( 0.0000000 0.3625000 0.3099307), wk = 0.0028090 k( 196) = ( 0.0000000 0.3750000 0.3099307), wk = 0.0028090 k( 197) = ( 0.0000000 0.3875000 0.3099307), wk = 0.0028090 k( 198) = ( 0.0000000 0.4000000 0.3099307), wk = 0.0028090 k( 199) = ( 0.0000000 0.4125000 0.3099307), wk = 0.0028090 k( 200) = ( 0.0000000 0.4250000 0.3099307), wk = 0.0028090 k( 201) = ( 0.0000000 0.4375000 0.3099307), wk = 0.0028090 k( 202) = ( 0.0000000 0.4500000 0.3099307), wk = 0.0028090 k( 203) = ( 0.0000000 0.4625000 0.3099307), wk = 0.0028090 k( 204) = ( 0.0000000 0.4750000 0.3099307), wk = 0.0028090 k( 205) = ( 0.0000000 0.4875000 0.3099307), wk = 0.0028090 k( 206) = ( 0.0000000 0.5000000 0.3099307), wk = 0.0028090 k( 207) = ( 0.0000000 0.5000000 0.3099307), wk = 0.0028090 k( 208) = ( 0.0125000 0.5000000 0.3099307), wk = 0.0028090 k( 209) = ( 0.0250000 0.5000000 0.3099307), wk = 0.0028090 k( 210) = ( 0.0375000 0.5000000 0.3099307), wk = 0.0028090 k( 211) = ( 0.0500000 0.5000000 0.3099307), wk = 0.0028090 k( 212) = ( 0.0625000 0.5000000 0.3099307), wk = 0.0028090 k( 213) = ( 0.0750000 0.5000000 0.3099307), wk = 0.0028090 k( 214) = ( 0.0875000 0.5000000 0.3099307), wk = 0.0028090 k( 215) = ( 0.1000000 0.5000000 0.3099307), wk = 0.0028090 k( 216) = ( 0.1125000 0.5000000 0.3099307), wk = 0.0028090 k( 217) = ( 0.1250000 0.5000000 0.3099307), wk = 0.0028090 k( 218) = ( 0.1375000 0.5000000 0.3099307), wk = 0.0028090 k( 219) = ( 0.1500000 0.5000000 0.3099307), wk = 0.0028090 k( 220) = ( 0.1625000 0.5000000 0.3099307), wk = 0.0028090 k( 221) = ( 0.1750000 0.5000000 0.3099307), wk = 0.0028090 k( 222) = ( 0.1875000 0.5000000 0.3099307), wk = 0.0028090 k( 223) = ( 0.2000000 0.5000000 0.3099307), wk = 0.0028090 k( 224) = ( 0.2125000 0.5000000 0.3099307), wk = 0.0028090 k( 225) = ( 0.2250000 0.5000000 0.3099307), wk = 0.0028090 k( 226) = ( 0.2375000 0.5000000 0.3099307), wk = 0.0028090 k( 227) = ( 0.2500000 0.5000000 0.3099307), wk = 0.0028090 k( 228) = ( 0.2625000 0.5000000 0.3099307), wk = 0.0028090 k( 229) = ( 0.2750000 0.5000000 0.3099307), wk = 0.0028090 k( 230) = ( 0.2875000 0.5000000 0.3099307), wk = 0.0028090 k( 231) = ( 0.3000000 0.5000000 0.3099307), wk = 0.0028090 k( 232) = ( 0.3125000 0.5000000 0.3099307), wk = 0.0028090 k( 233) = ( 0.3250000 0.5000000 0.3099307), wk = 0.0028090 k( 234) = ( 0.3375000 0.5000000 0.3099307), wk = 0.0028090 k( 235) = ( 0.3500000 0.5000000 0.3099307), wk = 0.0028090 k( 236) = ( 0.3625000 0.5000000 0.3099307), wk = 0.0028090 k( 237) = ( 0.3750000 0.5000000 0.3099307), wk = 0.0028090 k( 238) = ( 0.3875000 0.5000000 0.3099307), wk = 0.0028090 k( 239) = ( 0.4000000 0.5000000 0.3099307), wk = 0.0028090 k( 240) = ( 0.4125000 0.5000000 0.3099307), wk = 0.0028090 k( 241) = ( 0.4250000 0.5000000 0.3099307), wk = 0.0028090 k( 242) = ( 0.4375000 0.5000000 0.3099307), wk = 0.0028090 k( 243) = ( 0.4500000 0.5000000 0.3099307), wk = 0.0028090 k( 244) = ( 0.4625000 0.5000000 0.3099307), wk = 0.0028090 k( 245) = ( 0.4750000 0.5000000 0.3099307), wk = 0.0028090 k( 246) = ( 0.4875000 0.5000000 0.3099307), wk = 0.0028090 k( 247) = ( 0.5000000 0.5000000 0.3099307), wk = 0.0028090 k( 248) = ( 0.5000000 0.5000000 0.3099307), wk = 0.0028090 k( 249) = ( 0.4910714 0.4910714 0.3099307), wk = 0.0028090 k( 250) = ( 0.4821429 0.4821429 0.3099307), wk = 0.0028090 k( 251) = ( 0.4732143 0.4732143 0.3099307), wk = 0.0028090 k( 252) = ( 0.4642857 0.4642857 0.3099307), wk = 0.0028090 k( 253) = ( 0.4553571 0.4553571 0.3099307), wk = 0.0028090 k( 254) = ( 0.4464286 0.4464286 0.3099307), wk = 0.0028090 k( 255) = ( 0.4375000 0.4375000 0.3099307), wk = 0.0028090 k( 256) = ( 0.4285714 0.4285714 0.3099307), wk = 0.0028090 k( 257) = ( 0.4196429 0.4196429 0.3099307), wk = 0.0028090 k( 258) = ( 0.4107143 0.4107143 0.3099307), wk = 0.0028090 k( 259) = ( 0.4017857 0.4017857 0.3099307), wk = 0.0028090 k( 260) = ( 0.3928571 0.3928571 0.3099307), wk = 0.0028090 k( 261) = ( 0.3839286 0.3839286 0.3099307), wk = 0.0028090 k( 262) = ( 0.3750000 0.3750000 0.3099307), wk = 0.0028090 k( 263) = ( 0.3660714 0.3660714 0.3099307), wk = 0.0028090 k( 264) = ( 0.3571429 0.3571429 0.3099307), wk = 0.0028090 k( 265) = ( 0.3482143 0.3482143 0.3099307), wk = 0.0028090 k( 266) = ( 0.3392857 0.3392857 0.3099307), wk = 0.0028090 k( 267) = ( 0.3303571 0.3303571 0.3099307), wk = 0.0028090 k( 268) = ( 0.3214286 0.3214286 0.3099307), wk = 0.0028090 k( 269) = ( 0.3125000 0.3125000 0.3099307), wk = 0.0028090 k( 270) = ( 0.3035714 0.3035714 0.3099307), wk = 0.0028090 k( 271) = ( 0.2946429 0.2946429 0.3099307), wk = 0.0028090 k( 272) = ( 0.2857143 0.2857143 0.3099307), wk = 0.0028090 k( 273) = ( 0.2767857 0.2767857 0.3099307), wk = 0.0028090 k( 274) = ( 0.2678571 0.2678571 0.3099307), wk = 0.0028090 k( 275) = ( 0.2589286 0.2589286 0.3099307), wk = 0.0028090 k( 276) = ( 0.2500000 0.2500000 0.3099307), wk = 0.0028090 k( 277) = ( 0.2410714 0.2410714 0.3099307), wk = 0.0028090 k( 278) = ( 0.2321429 0.2321429 0.3099307), wk = 0.0028090 k( 279) = ( 0.2232143 0.2232143 0.3099307), wk = 0.0028090 k( 280) = ( 0.2142857 0.2142857 0.3099307), wk = 0.0028090 k( 281) = ( 0.2053571 0.2053571 0.3099307), wk = 0.0028090 k( 282) = ( 0.1964286 0.1964286 0.3099307), wk = 0.0028090 k( 283) = ( 0.1875000 0.1875000 0.3099307), wk = 0.0028090 k( 284) = ( 0.1785714 0.1785714 0.3099307), wk = 0.0028090 k( 285) = ( 0.1696429 0.1696429 0.3099307), wk = 0.0028090 k( 286) = ( 0.1607143 0.1607143 0.3099307), wk = 0.0028090 k( 287) = ( 0.1517857 0.1517857 0.3099307), wk = 0.0028090 k( 288) = ( 0.1428571 0.1428571 0.3099307), wk = 0.0028090 k( 289) = ( 0.1339286 0.1339286 0.3099307), wk = 0.0028090 k( 290) = ( 0.1250000 0.1250000 0.3099307), wk = 0.0028090 k( 291) = ( 0.1160714 0.1160714 0.3099307), wk = 0.0028090 k( 292) = ( 0.1071429 0.1071429 0.3099307), wk = 0.0028090 k( 293) = ( 0.0982143 0.0982143 0.3099307), wk = 0.0028090 k( 294) = ( 0.0892857 0.0892857 0.3099307), wk = 0.0028090 k( 295) = ( 0.0803571 0.0803571 0.3099307), wk = 0.0028090 k( 296) = ( 0.0714286 0.0714286 0.3099307), wk = 0.0028090 k( 297) = ( 0.0625000 0.0625000 0.3099307), wk = 0.0028090 k( 298) = ( 0.0535714 0.0535714 0.3099307), wk = 0.0028090 k( 299) = ( 0.0446429 0.0446429 0.3099307), wk = 0.0028090 k( 300) = ( 0.0357143 0.0357143 0.3099307), wk = 0.0028090 k( 301) = ( 0.0267857 0.0267857 0.3099307), wk = 0.0028090 k( 302) = ( 0.0178571 0.0178571 0.3099307), wk = 0.0028090 k( 303) = ( 0.0089286 0.0089286 0.3099307), wk = 0.0028090 k( 304) = ( 0.0000000 0.0000000 0.3099307), wk = 0.0028090 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 306) = ( 0.0000000 0.5000000 0.0123972), wk = 0.0028090 k( 307) = ( 0.0000000 0.5000000 0.0247945), wk = 0.0028090 k( 308) = ( 0.0000000 0.5000000 0.0371917), wk = 0.0028090 k( 309) = ( 0.0000000 0.5000000 0.0495889), wk = 0.0028090 k( 310) = ( 0.0000000 0.5000000 0.0619861), wk = 0.0028090 k( 311) = ( 0.0000000 0.5000000 0.0743834), wk = 0.0028090 k( 312) = ( 0.0000000 0.5000000 0.0867806), wk = 0.0028090 k( 313) = ( 0.0000000 0.5000000 0.0991778), wk = 0.0028090 k( 314) = ( 0.0000000 0.5000000 0.1115751), wk = 0.0028090 k( 315) = ( 0.0000000 0.5000000 0.1239723), wk = 0.0028090 k( 316) = ( 0.0000000 0.5000000 0.1363695), wk = 0.0028090 k( 317) = ( 0.0000000 0.5000000 0.1487667), wk = 0.0028090 k( 318) = ( 0.0000000 0.5000000 0.1611640), wk = 0.0028090 k( 319) = ( 0.0000000 0.5000000 0.1735612), wk = 0.0028090 k( 320) = ( 0.0000000 0.5000000 0.1859584), wk = 0.0028090 k( 321) = ( 0.0000000 0.5000000 0.1983557), wk = 0.0028090 k( 322) = ( 0.0000000 0.5000000 0.2107529), wk = 0.0028090 k( 323) = ( 0.0000000 0.5000000 0.2231501), wk = 0.0028090 k( 324) = ( 0.0000000 0.5000000 0.2355473), wk = 0.0028090 k( 325) = ( 0.0000000 0.5000000 0.2479446), wk = 0.0028090 k( 326) = ( 0.0000000 0.5000000 0.2603418), wk = 0.0028090 k( 327) = ( 0.0000000 0.5000000 0.2727390), wk = 0.0028090 k( 328) = ( 0.0000000 0.5000000 0.2851363), wk = 0.0028090 k( 329) = ( 0.0000000 0.5000000 0.2975335), wk = 0.0028090 k( 330) = ( 0.0000000 0.5000000 0.3099307), wk = 0.0028090 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 332) = ( 0.5000000 0.5000000 0.0123972), wk = 0.0028090 k( 333) = ( 0.5000000 0.5000000 0.0247945), wk = 0.0028090 k( 334) = ( 0.5000000 0.5000000 0.0371917), wk = 0.0028090 k( 335) = ( 0.5000000 0.5000000 0.0495889), wk = 0.0028090 k( 336) = ( 0.5000000 0.5000000 0.0619861), wk = 0.0028090 k( 337) = ( 0.5000000 0.5000000 0.0743834), wk = 0.0028090 k( 338) = ( 0.5000000 0.5000000 0.0867806), wk = 0.0028090 k( 339) = ( 0.5000000 0.5000000 0.0991778), wk = 0.0028090 k( 340) = ( 0.5000000 0.5000000 0.1115751), wk = 0.0028090 k( 341) = ( 0.5000000 0.5000000 0.1239723), wk = 0.0028090 k( 342) = ( 0.5000000 0.5000000 0.1363695), wk = 0.0028090 k( 343) = ( 0.5000000 0.5000000 0.1487667), wk = 0.0028090 k( 344) = ( 0.5000000 0.5000000 0.1611640), wk = 0.0028090 k( 345) = ( 0.5000000 0.5000000 0.1735612), wk = 0.0028090 k( 346) = ( 0.5000000 0.5000000 0.1859584), wk = 0.0028090 k( 347) = ( 0.5000000 0.5000000 0.1983557), wk = 0.0028090 k( 348) = ( 0.5000000 0.5000000 0.2107529), wk = 0.0028090 k( 349) = ( 0.5000000 0.5000000 0.2231501), wk = 0.0028090 k( 350) = ( 0.5000000 0.5000000 0.2355473), wk = 0.0028090 k( 351) = ( 0.5000000 0.5000000 0.2479446), wk = 0.0028090 k( 352) = ( 0.5000000 0.5000000 0.2603418), wk = 0.0028090 k( 353) = ( 0.5000000 0.5000000 0.2727390), wk = 0.0028090 k( 354) = ( 0.5000000 0.5000000 0.2851363), wk = 0.0028090 k( 355) = ( 0.5000000 0.5000000 0.2975335), wk = 0.0028090 k( 356) = ( 0.5000000 0.5000000 0.3099307), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0028090 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0028090 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0028090 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0028090 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0028090 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0028090 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0028090 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0028090 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0028090 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0028090 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0028090 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0028090 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0028090 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0028090 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0028090 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0028090 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0028090 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028090 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0028090 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0028090 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0028090 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0028090 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0028090 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0028090 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0028090 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0028090 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0028090 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0028090 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0028090 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0028090 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0028090 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0028090 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0028090 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0028090 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0028090 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0028090 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0028090 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0028090 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0028090 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0028090 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0028090 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0028090 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0028090 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0028090 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0028090 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0028090 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0028090 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0028090 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0028090 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0028090 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0028090 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0028090 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0028090 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0028090 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0028090 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0028090 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028090 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0028090 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0028090 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0028090 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0028090 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0028090 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0028090 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0028090 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0028090 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0028090 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028090 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0028090 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0028090 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0028090 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0028090 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0028090 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0028090 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0028090 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0028090 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0028090 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0028090 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0028090 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0028090 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0028090 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0028090 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0028090 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028090 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0028090 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0028090 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0028090 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0028090 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0028090 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0028090 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0028090 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0028090 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0028090 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0028090 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0028090 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0028090 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028090 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0028090 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0028090 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0028090 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028090 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0028090 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028090 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0028090 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028090 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0028090 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028090 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0028090 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028090 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0028090 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0028090 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0028090 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028090 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0028090 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0028090 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0028090 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028090 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0028090 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028090 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0028090 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028090 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0028090 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0028090 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0028090 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028090 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028090 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0028090 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0028090 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028090 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0028090 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028090 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0028090 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 141) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028090 k( 142) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028090 k( 143) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028090 k( 144) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028090 k( 145) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028090 k( 146) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028090 k( 147) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028090 k( 155) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028090 k( 156) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028090 k( 157) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028090 k( 158) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028090 k( 159) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028090 k( 160) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028090 k( 163) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028090 k( 164) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028090 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 167) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0028090 k( 168) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0028090 k( 169) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0028090 k( 170) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0028090 k( 171) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0028090 k( 172) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0028090 k( 173) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0028090 k( 174) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0028090 k( 175) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0028090 k( 176) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0028090 k( 177) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0028090 k( 178) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0028090 k( 179) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0028090 k( 180) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0028090 k( 181) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0028090 k( 182) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0028090 k( 183) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0028090 k( 184) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0028090 k( 185) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0028090 k( 186) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028090 k( 187) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0028090 k( 188) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0028090 k( 189) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0028090 k( 190) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0028090 k( 191) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0028090 k( 192) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0028090 k( 193) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0028090 k( 194) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0028090 k( 195) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0028090 k( 196) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0028090 k( 197) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0028090 k( 198) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0028090 k( 199) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0028090 k( 200) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0028090 k( 201) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0028090 k( 202) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0028090 k( 203) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0028090 k( 204) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0028090 k( 205) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0028090 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 207) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 208) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0028090 k( 209) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0028090 k( 212) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0028090 k( 213) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0028090 k( 214) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0028090 k( 215) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0028090 k( 216) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0028090 k( 217) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028090 k( 218) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0028090 k( 219) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0028090 k( 220) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0028090 k( 221) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0028090 k( 222) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0028090 k( 223) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0028090 k( 224) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0028090 k( 225) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0028090 k( 226) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0028090 k( 227) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028090 k( 228) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0028090 k( 229) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0028090 k( 230) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0028090 k( 231) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0028090 k( 232) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0028090 k( 233) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0028090 k( 234) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0028090 k( 235) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0028090 k( 236) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0028090 k( 237) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028090 k( 238) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0028090 k( 239) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0028090 k( 240) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0028090 k( 241) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0028090 k( 242) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0028090 k( 243) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0028090 k( 244) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0028090 k( 245) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0028090 k( 246) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0028090 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 249) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0028090 k( 250) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0028090 k( 251) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0028090 k( 252) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0028090 k( 253) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0028090 k( 254) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0028090 k( 255) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0028090 k( 256) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0028090 k( 257) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0028090 k( 258) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0028090 k( 259) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0028090 k( 260) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0028090 k( 261) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0028090 k( 262) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0028090 k( 263) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0028090 k( 264) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0028090 k( 265) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0028090 k( 266) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0028090 k( 267) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0028090 k( 268) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028090 k( 269) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0028090 k( 270) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028090 k( 271) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0028090 k( 272) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028090 k( 273) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0028090 k( 274) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028090 k( 275) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0028090 k( 276) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 277) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0028090 k( 278) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028090 k( 279) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0028090 k( 280) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028090 k( 281) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0028090 k( 282) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028090 k( 283) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0028090 k( 284) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028090 k( 285) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0028090 k( 286) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028090 k( 287) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0028090 k( 288) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028090 k( 289) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0028090 k( 290) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028090 k( 291) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0028090 k( 292) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028090 k( 293) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0028090 k( 294) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028090 k( 295) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0028090 k( 296) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028090 k( 297) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0028090 k( 298) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028090 k( 299) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0028090 k( 300) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028090 k( 301) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0028090 k( 302) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028090 k( 303) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0028090 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 305) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 306) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0028090 k( 307) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0028090 k( 308) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0028090 k( 309) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0028090 k( 310) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028090 k( 311) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0028090 k( 312) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0028090 k( 313) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0028090 k( 314) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0028090 k( 315) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028090 k( 316) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0028090 k( 317) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0028090 k( 318) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0028090 k( 319) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0028090 k( 320) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028090 k( 321) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0028090 k( 322) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0028090 k( 323) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0028090 k( 324) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0028090 k( 325) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028090 k( 326) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0028090 k( 327) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0028090 k( 328) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0028090 k( 329) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0028090 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 331) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 332) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0028090 k( 333) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0028090 k( 334) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0028090 k( 335) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0028090 k( 336) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028090 k( 337) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0028090 k( 338) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0028090 k( 339) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0028090 k( 340) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0028090 k( 341) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028090 k( 342) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0028090 k( 343) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0028090 k( 344) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0028090 k( 345) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0028090 k( 346) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028090 k( 347) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0028090 k( 348) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0028090 k( 349) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0028090 k( 350) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0028090 k( 351) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028090 k( 352) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0028090 k( 353) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0028090 k( 354) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0028090 k( 355) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0028090 k( 356) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 Dense grid: 100347 G-vectors FFT dimensions: ( 50, 50, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 706, 44) NL pseudopotentials 0.67 Mb ( 353, 124) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 2793) G-vector shells 0.01 Mb ( 1252) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.90 Mb ( 706, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./NaLiS.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.8 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 12.9 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 16.0 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.4 secs Computing kpt #: 23 total cpu time spent up to now is 19.2 secs Computing kpt #: 24 total cpu time spent up to now is 20.0 secs Computing kpt #: 25 total cpu time spent up to now is 20.8 secs Computing kpt #: 26 total cpu time spent up to now is 21.6 secs Computing kpt #: 27 total cpu time spent up to now is 22.4 secs Computing kpt #: 28 total cpu time spent up to now is 23.2 secs Computing kpt #: 29 total cpu time spent up to now is 24.0 secs Computing kpt #: 30 total cpu time spent up to now is 24.7 secs Computing kpt #: 31 total cpu time spent up to now is 25.5 secs Computing kpt #: 32 total cpu time spent up to now is 26.3 secs Computing kpt #: 33 total cpu time spent up to now is 27.1 secs Computing kpt #: 34 total cpu time spent up to now is 27.9 secs Computing kpt #: 35 total cpu time spent up to now is 28.6 secs Computing kpt #: 36 total cpu time spent up to now is 29.4 secs Computing kpt #: 37 total cpu time spent up to now is 30.1 secs Computing kpt #: 38 total cpu time spent up to now is 30.9 secs Computing kpt #: 39 total cpu time spent up to now is 31.6 secs Computing kpt #: 40 total cpu time spent up to now is 32.2 secs Computing kpt #: 41 total cpu time spent up to now is 32.9 secs Computing kpt #: 42 total cpu time spent up to now is 33.6 secs Computing kpt #: 43 total cpu time spent up to now is 34.2 secs Computing kpt #: 44 total cpu time spent up to now is 34.9 secs Computing kpt #: 45 total cpu time spent up to now is 35.6 secs Computing kpt #: 46 total cpu time spent up to now is 36.2 secs Computing kpt #: 47 total cpu time spent up to now is 36.9 secs Computing kpt #: 48 total cpu time spent up to now is 37.6 secs Computing kpt #: 49 total cpu time spent up to now is 38.2 secs Computing kpt #: 50 total cpu time spent up to now is 38.9 secs Computing kpt #: 51 total cpu time spent up to now is 39.5 secs Computing kpt #: 52 total cpu time spent up to now is 40.2 secs Computing kpt #: 53 total cpu time spent up to now is 40.9 secs Computing kpt #: 54 total cpu time spent up to now is 41.5 secs Computing kpt #: 55 total cpu time spent up to now is 42.2 secs Computing kpt #: 56 total cpu time spent up to now is 42.8 secs Computing kpt #: 57 total cpu time spent up to now is 43.4 secs Computing kpt #: 58 total cpu time spent up to now is 44.0 secs Computing kpt #: 59 total cpu time spent up to now is 44.7 secs Computing kpt #: 60 total cpu time spent up to now is 45.3 secs Computing kpt #: 61 total cpu time spent up to now is 45.8 secs Computing kpt #: 62 total cpu time spent up to now is 46.4 secs Computing kpt #: 63 total cpu time spent up to now is 47.0 secs Computing kpt #: 64 total cpu time spent up to now is 47.6 secs Computing kpt #: 65 total cpu time spent up to now is 48.1 secs Computing kpt #: 66 total cpu time spent up to now is 48.7 secs Computing kpt #: 67 total cpu time spent up to now is 49.3 secs Computing kpt #: 68 total cpu time spent up to now is 49.8 secs Computing kpt #: 69 total cpu time spent up to now is 50.4 secs Computing kpt #: 70 total cpu time spent up to now is 50.9 secs Computing kpt #: 71 total cpu time spent up to now is 51.5 secs Computing kpt #: 72 total cpu time spent up to now is 52.0 secs Computing kpt #: 73 total cpu time spent up to now is 52.6 secs Computing kpt #: 74 total cpu time spent up to now is 53.1 secs Computing kpt #: 75 total cpu time spent up to now is 53.7 secs Computing kpt #: 76 total cpu time spent up to now is 54.2 secs Computing kpt #: 77 total cpu time spent up to now is 54.8 secs Computing kpt #: 78 total cpu time spent up to now is 55.3 secs Computing kpt #: 79 total cpu time spent up to now is 55.9 secs Computing kpt #: 80 total cpu time spent up to now is 56.4 secs Computing kpt #: 81 total cpu time spent up to now is 56.9 secs Computing kpt #: 82 total cpu time spent up to now is 57.4 secs Computing kpt #: 83 total cpu time spent up to now is 58.0 secs Computing kpt #: 84 total cpu time spent up to now is 58.5 secs Computing kpt #: 85 total cpu time spent up to now is 59.1 secs Computing kpt #: 86 total cpu time spent up to now is 59.6 secs Computing kpt #: 87 total cpu time spent up to now is 60.1 secs Computing kpt #: 88 total cpu time spent up to now is 60.7 secs Computing kpt #: 89 total cpu time spent up to now is 61.2 secs Computing kpt #: 90 total cpu time spent up to now is 61.8 secs Computing kpt #: 91 total cpu time spent up to now is 62.3 secs Computing kpt #: 92 total cpu time spent up to now is 62.9 secs Computing kpt #: 93 total cpu time spent up to now is 63.4 secs Computing kpt #: 94 total cpu time spent up to now is 64.0 secs Computing kpt #: 95 total cpu time spent up to now is 64.6 secs Computing kpt #: 96 total cpu time spent up to now is 65.1 secs Computing kpt #: 97 total cpu time spent up to now is 65.7 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 66.8 secs Computing kpt #: 100 total cpu time spent up to now is 67.4 secs Computing kpt #: 101 total cpu time spent up to now is 67.9 secs Computing kpt #: 102 total cpu time spent up to now is 68.5 secs Computing kpt #: 103 total cpu time spent up to now is 69.1 secs Computing kpt #: 104 total cpu time spent up to now is 69.7 secs Computing kpt #: 105 total cpu time spent up to now is 70.3 secs Computing kpt #: 106 total cpu time spent up to now is 71.0 secs Computing kpt #: 107 total cpu time spent up to now is 71.6 secs Computing kpt #: 108 total cpu time spent up to now is 72.2 secs Computing kpt #: 109 total cpu time spent up to now is 72.9 secs Computing kpt #: 110 total cpu time spent up to now is 73.7 secs Computing kpt #: 111 total cpu time spent up to now is 74.5 secs Computing kpt #: 112 total cpu time spent up to now is 75.2 secs Computing kpt #: 113 total cpu time spent up to now is 75.9 secs Computing kpt #: 114 total cpu time spent up to now is 76.5 secs Computing kpt #: 115 total cpu time spent up to now is 77.2 secs Computing kpt #: 116 total cpu time spent up to now is 77.9 secs Computing kpt #: 117 total cpu time spent up to now is 78.5 secs Computing kpt #: 118 total cpu time spent up to now is 79.2 secs Computing kpt #: 119 total cpu time spent up to now is 79.8 secs Computing kpt #: 120 total cpu time spent up to now is 80.5 secs Computing kpt #: 121 total cpu time spent up to now is 81.2 secs Computing kpt #: 122 total cpu time spent up to now is 81.9 secs Computing kpt #: 123 total cpu time spent up to now is 82.7 secs Computing kpt #: 124 total cpu time spent up to now is 83.4 secs Computing kpt #: 125 total cpu time spent up to now is 84.3 secs Computing kpt #: 126 total cpu time spent up to now is 85.2 secs Computing kpt #: 127 total cpu time spent up to now is 86.1 secs Computing kpt #: 128 total cpu time spent up to now is 86.9 secs Computing kpt #: 129 total cpu time spent up to now is 87.7 secs Computing kpt #: 130 total cpu time spent up to now is 88.4 secs Computing kpt #: 131 total cpu time spent up to now is 89.2 secs Computing kpt #: 132 total cpu time spent up to now is 89.9 secs Computing kpt #: 133 total cpu time spent up to now is 90.7 secs Computing kpt #: 134 total cpu time spent up to now is 91.4 secs Computing kpt #: 135 total cpu time spent up to now is 92.2 secs Computing kpt #: 136 total cpu time spent up to now is 92.9 secs Computing kpt #: 137 total cpu time spent up to now is 93.5 secs Computing kpt #: 138 total cpu time spent up to now is 94.2 secs Computing kpt #: 139 total cpu time spent up to now is 95.0 secs Computing kpt #: 140 total cpu time spent up to now is 95.7 secs Computing kpt #: 141 total cpu time spent up to now is 96.4 secs Computing kpt #: 142 total cpu time spent up to now is 97.1 secs Computing kpt #: 143 total cpu time spent up to now is 97.8 secs Computing kpt #: 144 total cpu time spent up to now is 98.5 secs Computing kpt #: 145 total cpu time spent up to now is 99.3 secs Computing kpt #: 146 total cpu time spent up to now is 100.0 secs Computing kpt #: 147 total cpu time spent up to now is 100.8 secs Computing kpt #: 148 total cpu time spent up to now is 101.5 secs Computing kpt #: 149 total cpu time spent up to now is 102.3 secs Computing kpt #: 150 total cpu time spent up to now is 103.1 secs Computing kpt #: 151 total cpu time spent up to now is 103.9 secs Computing kpt #: 152 total cpu time spent up to now is 104.7 secs Computing kpt #: 153 total cpu time spent up to now is 105.5 secs Computing kpt #: 154 total cpu time spent up to now is 106.1 secs Computing kpt #: 155 total cpu time spent up to now is 106.7 secs Computing kpt #: 156 total cpu time spent up to now is 107.4 secs Computing kpt #: 157 total cpu time spent up to now is 108.0 secs Computing kpt #: 158 total cpu time spent up to now is 108.6 secs Computing kpt #: 159 total cpu time spent up to now is 109.2 secs Computing kpt #: 160 total cpu time spent up to now is 109.8 secs Computing kpt #: 161 total cpu time spent up to now is 110.5 secs Computing kpt #: 162 total cpu time spent up to now is 111.1 secs Computing kpt #: 163 total cpu time spent up to now is 111.7 secs Computing kpt #: 164 total cpu time spent up to now is 112.3 secs Computing kpt #: 165 total cpu time spent up to now is 112.9 secs Computing kpt #: 166 total cpu time spent up to now is 113.5 secs Computing kpt #: 167 total cpu time spent up to now is 114.2 secs Computing kpt #: 168 total cpu time spent up to now is 114.8 secs Computing kpt #: 169 total cpu time spent up to now is 115.4 secs Computing kpt #: 170 total cpu time spent up to now is 116.0 secs Computing kpt #: 171 total cpu time spent up to now is 116.7 secs Computing kpt #: 172 total cpu time spent up to now is 117.3 secs Computing kpt #: 173 total cpu time spent up to now is 117.9 secs Computing kpt #: 174 total cpu time spent up to now is 118.6 secs Computing kpt #: 175 total cpu time spent up to now is 119.2 secs Computing kpt #: 176 total cpu time spent up to now is 119.8 secs Computing kpt #: 177 total cpu time spent up to now is 120.4 secs Computing kpt #: 178 total cpu time spent up to now is 121.1 secs Computing kpt #: 179 total cpu time spent up to now is 121.7 secs Computing kpt #: 180 total cpu time spent up to now is 122.3 secs Computing kpt #: 181 total cpu time spent up to now is 122.9 secs Computing kpt #: 182 total cpu time spent up to now is 123.6 secs Computing kpt #: 183 total cpu time spent up to now is 124.2 secs Computing kpt #: 184 total cpu time spent up to now is 124.8 secs Computing kpt #: 185 total cpu time spent up to now is 125.4 secs Computing kpt #: 186 total cpu time spent up to now is 126.1 secs Computing kpt #: 187 total cpu time spent up to now is 126.7 secs Computing kpt #: 188 total cpu time spent up to now is 127.4 secs Computing kpt #: 189 total cpu time spent up to now is 128.2 secs Computing kpt #: 190 total cpu time spent up to now is 129.0 secs Computing kpt #: 191 total cpu time spent up to now is 129.7 secs Computing kpt #: 192 total cpu time spent up to now is 130.5 secs Computing kpt #: 193 total cpu time spent up to now is 131.2 secs Computing kpt #: 194 total cpu time spent up to now is 132.0 secs Computing kpt #: 195 total cpu time spent up to now is 132.8 secs Computing kpt #: 196 total cpu time spent up to now is 133.5 secs Computing kpt #: 197 total cpu time spent up to now is 134.3 secs Computing kpt #: 198 total cpu time spent up to now is 135.1 secs Computing kpt #: 199 total cpu time spent up to now is 135.8 secs Computing kpt #: 200 total cpu time spent up to now is 136.6 secs Computing kpt #: 201 total cpu time spent up to now is 137.4 secs Computing kpt #: 202 total cpu time spent up to now is 138.1 secs Computing kpt #: 203 total cpu time spent up to now is 138.9 secs Computing kpt #: 204 total cpu time spent up to now is 139.6 secs Computing kpt #: 205 total cpu time spent up to now is 140.3 secs Computing kpt #: 206 total cpu time spent up to now is 141.1 secs Computing kpt #: 207 total cpu time spent up to now is 141.7 secs Computing kpt #: 208 total cpu time spent up to now is 142.4 secs Computing kpt #: 209 total cpu time spent up to now is 143.0 secs Computing kpt #: 210 total cpu time spent up to now is 143.7 secs Computing kpt #: 211 total cpu time spent up to now is 144.4 secs Computing kpt #: 212 total cpu time spent up to now is 145.0 secs Computing kpt #: 213 total cpu time spent up to now is 145.7 secs Computing kpt #: 214 total cpu time spent up to now is 146.4 secs Computing kpt #: 215 total cpu time spent up to now is 147.0 secs Computing kpt #: 216 total cpu time spent up to now is 147.6 secs Computing kpt #: 217 total cpu time spent up to now is 148.3 secs Computing kpt #: 218 total cpu time spent up to now is 148.9 secs Computing kpt #: 219 total cpu time spent up to now is 149.5 secs Computing kpt #: 220 total cpu time spent up to now is 150.1 secs Computing kpt #: 221 total cpu time spent up to now is 150.7 secs Computing kpt #: 222 total cpu time spent up to now is 151.3 secs Computing kpt #: 223 total cpu time spent up to now is 151.9 secs Computing kpt #: 224 total cpu time spent up to now is 152.5 secs Computing kpt #: 225 total cpu time spent up to now is 153.1 secs Computing kpt #: 226 total cpu time spent up to now is 153.6 secs Computing kpt #: 227 total cpu time spent up to now is 154.2 secs Computing kpt #: 228 total cpu time spent up to now is 154.8 secs Computing kpt #: 229 total cpu time spent up to now is 155.4 secs Computing kpt #: 230 total cpu time spent up to now is 156.0 secs Computing kpt #: 231 total cpu time spent up to now is 156.6 secs Computing kpt #: 232 total cpu time spent up to now is 157.1 secs Computing kpt #: 233 total cpu time spent up to now is 157.8 secs Computing kpt #: 234 total cpu time spent up to now is 158.4 secs Computing kpt #: 235 total cpu time spent up to now is 159.0 secs Computing kpt #: 236 total cpu time spent up to now is 159.6 secs Computing kpt #: 237 total cpu time spent up to now is 160.2 secs Computing kpt #: 238 total cpu time spent up to now is 160.8 secs Computing kpt #: 239 total cpu time spent up to now is 161.5 secs Computing kpt #: 240 total cpu time spent up to now is 162.1 secs Computing kpt #: 241 total cpu time spent up to now is 162.7 secs Computing kpt #: 242 total cpu time spent up to now is 163.3 secs Computing kpt #: 243 total cpu time spent up to now is 164.0 secs Computing kpt #: 244 total cpu time spent up to now is 164.6 secs Computing kpt #: 245 total cpu time spent up to now is 165.3 secs Computing kpt #: 246 total cpu time spent up to now is 165.9 secs Computing kpt #: 247 total cpu time spent up to now is 166.5 secs Computing kpt #: 248 total cpu time spent up to now is 167.2 secs Computing kpt #: 249 total cpu time spent up to now is 167.8 secs Computing kpt #: 250 total cpu time spent up to now is 168.5 secs Computing kpt #: 251 total cpu time spent up to now is 169.1 secs Computing kpt #: 252 total cpu time spent up to now is 169.8 secs Computing kpt #: 253 total cpu time spent up to now is 170.4 secs Computing kpt #: 254 total cpu time spent up to now is 171.1 secs Computing kpt #: 255 total cpu time spent up to now is 171.7 secs Computing kpt #: 256 total cpu time spent up to now is 172.4 secs Computing kpt #: 257 total cpu time spent up to now is 173.1 secs Computing kpt #: 258 total cpu time spent up to now is 173.9 secs Computing kpt #: 259 total cpu time spent up to now is 174.6 secs Computing kpt #: 260 total cpu time spent up to now is 175.3 secs Computing kpt #: 261 total cpu time spent up to now is 176.0 secs Computing kpt #: 262 total cpu time spent up to now is 176.8 secs Computing kpt #: 263 total cpu time spent up to now is 177.5 secs Computing kpt #: 264 total cpu time spent up to now is 178.2 secs Computing kpt #: 265 total cpu time spent up to now is 178.9 secs Computing kpt #: 266 total cpu time spent up to now is 179.6 secs Computing kpt #: 267 total cpu time spent up to now is 180.4 secs Computing kpt #: 268 total cpu time spent up to now is 181.1 secs Computing kpt #: 269 total cpu time spent up to now is 181.8 secs Computing kpt #: 270 total cpu time spent up to now is 182.4 secs Computing kpt #: 271 total cpu time spent up to now is 183.2 secs Computing kpt #: 272 total cpu time spent up to now is 183.9 secs Computing kpt #: 273 total cpu time spent up to now is 184.7 secs Computing kpt #: 274 total cpu time spent up to now is 185.5 secs Computing kpt #: 275 total cpu time spent up to now is 186.3 secs Computing kpt #: 276 total cpu time spent up to now is 186.9 secs Computing kpt #: 277 total cpu time spent up to now is 187.5 secs Computing kpt #: 278 total cpu time spent up to now is 188.2 secs Computing kpt #: 279 total cpu time spent up to now is 188.8 secs Computing kpt #: 280 total cpu time spent up to now is 189.5 secs Computing kpt #: 281 total cpu time spent up to now is 190.1 secs Computing kpt #: 282 total cpu time spent up to now is 190.7 secs Computing kpt #: 283 total cpu time spent up to now is 191.3 secs Computing kpt #: 284 total cpu time spent up to now is 192.0 secs Computing kpt #: 285 total cpu time spent up to now is 192.6 secs Computing kpt #: 286 total cpu time spent up to now is 193.2 secs Computing kpt #: 287 total cpu time spent up to now is 193.8 secs Computing kpt #: 288 total cpu time spent up to now is 194.4 secs Computing kpt #: 289 total cpu time spent up to now is 195.0 secs Computing kpt #: 290 total cpu time spent up to now is 195.6 secs Computing kpt #: 291 total cpu time spent up to now is 196.2 secs Computing kpt #: 292 total cpu time spent up to now is 196.9 secs Computing kpt #: 293 total cpu time spent up to now is 197.5 secs Computing kpt #: 294 total cpu time spent up to now is 198.1 secs Computing kpt #: 295 total cpu time spent up to now is 198.8 secs Computing kpt #: 296 total cpu time spent up to now is 199.5 secs Computing kpt #: 297 total cpu time spent up to now is 200.2 secs Computing kpt #: 298 total cpu time spent up to now is 200.9 secs Computing kpt #: 299 total cpu time spent up to now is 201.5 secs Computing kpt #: 300 total cpu time spent up to now is 202.2 secs Computing kpt #: 301 total cpu time spent up to now is 202.8 secs Computing kpt #: 302 total cpu time spent up to now is 203.4 secs Computing kpt #: 303 total cpu time spent up to now is 204.1 secs Computing kpt #: 304 total cpu time spent up to now is 204.7 secs Computing kpt #: 305 total cpu time spent up to now is 205.4 secs Computing kpt #: 306 total cpu time spent up to now is 206.1 secs Computing kpt #: 307 total cpu time spent up to now is 206.7 secs Computing kpt #: 308 total cpu time spent up to now is 207.4 secs Computing kpt #: 309 total cpu time spent up to now is 208.1 secs Computing kpt #: 310 total cpu time spent up to now is 208.8 secs Computing kpt #: 311 total cpu time spent up to now is 209.4 secs Computing kpt #: 312 total cpu time spent up to now is 210.1 secs Computing kpt #: 313 total cpu time spent up to now is 210.8 secs Computing kpt #: 314 total cpu time spent up to now is 211.4 secs Computing kpt #: 315 total cpu time spent up to now is 212.1 secs Computing kpt #: 316 total cpu time spent up to now is 212.7 secs Computing kpt #: 317 total cpu time spent up to now is 213.4 secs Computing kpt #: 318 total cpu time spent up to now is 214.0 secs Computing kpt #: 319 total cpu time spent up to now is 214.7 secs Computing kpt #: 320 total cpu time spent up to now is 215.3 secs Computing kpt #: 321 total cpu time spent up to now is 216.0 secs Computing kpt #: 322 total cpu time spent up to now is 216.7 secs Computing kpt #: 323 total cpu time spent up to now is 217.3 secs Computing kpt #: 324 total cpu time spent up to now is 217.9 secs Computing kpt #: 325 total cpu time spent up to now is 218.6 secs Computing kpt #: 326 total cpu time spent up to now is 219.3 secs Computing kpt #: 327 total cpu time spent up to now is 219.9 secs Computing kpt #: 328 total cpu time spent up to now is 220.6 secs Computing kpt #: 329 total cpu time spent up to now is 221.2 secs Computing kpt #: 330 total cpu time spent up to now is 221.9 secs Computing kpt #: 331 total cpu time spent up to now is 222.4 secs Computing kpt #: 332 total cpu time spent up to now is 223.0 secs Computing kpt #: 333 total cpu time spent up to now is 223.5 secs Computing kpt #: 334 total cpu time spent up to now is 224.0 secs Computing kpt #: 335 total cpu time spent up to now is 224.6 secs Computing kpt #: 336 total cpu time spent up to now is 225.1 secs Computing kpt #: 337 total cpu time spent up to now is 225.6 secs Computing kpt #: 338 total cpu time spent up to now is 226.2 secs Computing kpt #: 339 total cpu time spent up to now is 226.7 secs Computing kpt #: 340 total cpu time spent up to now is 227.3 secs Computing kpt #: 341 total cpu time spent up to now is 227.8 secs Computing kpt #: 342 total cpu time spent up to now is 228.4 secs Computing kpt #: 343 total cpu time spent up to now is 228.9 secs Computing kpt #: 344 total cpu time spent up to now is 229.5 secs Computing kpt #: 345 total cpu time spent up to now is 230.1 secs Computing kpt #: 346 total cpu time spent up to now is 230.6 secs Computing kpt #: 347 total cpu time spent up to now is 231.2 secs Computing kpt #: 348 total cpu time spent up to now is 231.8 secs Computing kpt #: 349 total cpu time spent up to now is 232.3 secs Computing kpt #: 350 total cpu time spent up to now is 232.9 secs Computing kpt #: 351 total cpu time spent up to now is 233.5 secs Computing kpt #: 352 total cpu time spent up to now is 234.2 secs Computing kpt #: 353 total cpu time spent up to now is 234.8 secs Computing kpt #: 354 total cpu time spent up to now is 235.5 secs Computing kpt #: 355 total cpu time spent up to now is 236.1 secs Computing kpt #: 356 total cpu time spent up to now is 236.7 secs ethr = 2.78E-08, avg # of iterations = 18.8 total cpu time spent up to now is 236.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12567 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8023 -19.8023 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9511 -7.9511 -7.4880 -7.4880 0.6667 0.6667 1.9195 1.9195 1.9633 1.9633 2.6788 2.6788 2.9350 2.9350 2.9845 2.9845 6.0890 6.0890 6.7251 6.7251 9.0548 9.0548 9.6439 9.6439 k = 0.0000 0.0125-0.0000 ( 12583 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9506 -7.9506 -7.4878 -7.4878 0.6674 0.6674 1.9175 1.9175 1.9615 1.9615 2.6795 2.6795 2.9324 2.9324 2.9820 2.9820 6.0935 6.0935 6.7291 6.7291 9.0551 9.0551 9.6466 9.6466 k = 0.0000 0.0250-0.0000 ( 12583 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6386 -19.6386 -19.6307 -19.6307 -19.6141 -19.6141 -7.9493 -7.9493 -7.4874 -7.4874 0.6695 0.6695 1.9099 1.9099 1.9578 1.9578 2.6816 2.6816 2.9232 2.9232 2.9761 2.9761 6.1069 6.1069 6.7409 6.7409 9.0561 9.0561 9.6550 9.6550 k = 0.0000 0.0375-0.0000 ( 12587 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1614 -41.1614 -41.1321 -41.1321 -19.8241 -19.8241 -19.8025 -19.8025 -19.6520 -19.6520 -19.6387 -19.6387 -19.6307 -19.6307 -19.6142 -19.6142 -7.9471 -7.9471 -7.4867 -7.4867 0.6731 0.6731 1.8937 1.8937 1.9556 1.9556 2.6847 2.6847 2.9046 2.9046 2.9700 2.9700 6.1290 6.1290 6.7606 6.7606 9.0576 9.0576 9.6687 9.6687 k = 0.0000 0.0500-0.0000 ( 12587 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1614 -41.1614 -41.1322 -41.1322 -19.8241 -19.8241 -19.8026 -19.8026 -19.6519 -19.6519 -19.6388 -19.6388 -19.6306 -19.6306 -19.6143 -19.6143 -7.9441 -7.9441 -7.4857 -7.4857 0.6781 0.6781 1.8681 1.8681 1.9565 1.9565 2.6880 2.6880 2.8753 2.8753 2.9656 2.9656 6.1591 6.1591 6.7876 6.7876 9.0596 9.0596 9.6875 9.6875 k = 0.0000 0.0625-0.0000 ( 12577 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1612 -41.1612 -41.1323 -41.1323 -19.8241 -19.8241 -19.8027 -19.8027 -19.6519 -19.6519 -19.6389 -19.6389 -19.6305 -19.6305 -19.6144 -19.6144 -7.9402 -7.9402 -7.4844 -7.4844 0.6845 0.6845 1.8345 1.8345 1.9601 1.9601 2.6907 2.6907 2.8365 2.8365 2.9628 2.9628 6.1966 6.1966 6.8218 6.8218 9.0621 9.0621 9.7112 9.7112 k = 0.0000 0.0750-0.0000 ( 12577 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1611 -41.1611 -41.1324 -41.1324 -19.8240 -19.8240 -19.8028 -19.8028 -19.6518 -19.6518 -19.6391 -19.6391 -19.6304 -19.6304 -19.6145 -19.6145 -7.9355 -7.9355 -7.4829 -7.4829 0.6923 0.6923 1.7944 1.7944 1.9656 1.9656 2.6911 2.6911 2.7908 2.7908 2.9607 2.9607 6.2407 6.2407 6.8627 6.8627 9.0650 9.0650 9.7394 9.7394 k = 0.0000 0.0875-0.0000 ( 12571 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1610 -41.1610 -41.1325 -41.1325 -19.8240 -19.8240 -19.8030 -19.8030 -19.6518 -19.6518 -19.6393 -19.6393 -19.6303 -19.6303 -19.6147 -19.6147 -7.9300 -7.9300 -7.4811 -7.4811 0.7015 0.7015 1.7491 1.7491 1.9726 1.9726 2.6840 2.6840 2.7445 2.7445 2.9590 2.9590 6.2906 6.2906 6.9097 6.9097 9.0682 9.0682 9.7715 9.7715 k = 0.0000 0.1000-0.0000 ( 12575 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1608 -41.1608 -41.1327 -41.1327 -19.8240 -19.8240 -19.8032 -19.8032 -19.6517 -19.6517 -19.6395 -19.6395 -19.6302 -19.6302 -19.6149 -19.6149 -7.9236 -7.9236 -7.4792 -7.4792 0.7121 0.7121 1.6996 1.6996 1.9811 1.9811 2.6502 2.6502 2.7170 2.7170 2.9573 2.9573 6.3456 6.3456 6.9624 6.9624 9.0716 9.0716 9.8068 9.8068 k = 0.0000 0.1125-0.0000 ( 12575 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1606 -41.1606 -41.1329 -41.1329 -19.8239 -19.8239 -19.8035 -19.8035 -19.6517 -19.6517 -19.6397 -19.6397 -19.6301 -19.6301 -19.6151 -19.6151 -7.9165 -7.9165 -7.4770 -7.4770 0.7240 0.7240 1.6468 1.6468 1.9908 1.9908 2.5909 2.5909 2.7082 2.7082 2.9556 2.9556 6.4048 6.4048 7.0200 7.0200 9.0752 9.0752 9.8445 9.8445 k = 0.0000 0.1250-0.0000 ( 12575 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1604 -41.1604 -41.1331 -41.1331 -19.8238 -19.8238 -19.8037 -19.8037 -19.6516 -19.6516 -19.6400 -19.6400 -19.6299 -19.6299 -19.6153 -19.6153 -7.9086 -7.9086 -7.4747 -7.4747 0.7373 0.7373 1.5915 1.5915 2.0016 2.0016 2.5222 2.5222 2.7024 2.7024 2.9538 2.9538 6.4675 6.4675 7.0820 7.0820 9.0790 9.0790 9.8839 9.8839 k = 0.0000 0.1375-0.0000 ( 12577 PWs) bands (ev): -47.7634 -47.7634 -47.7597 -47.7597 -41.1601 -41.1601 -41.1333 -41.1333 -19.8238 -19.8238 -19.8040 -19.8040 -19.6515 -19.6515 -19.6402 -19.6402 -19.6298 -19.6298 -19.6156 -19.6156 -7.8999 -7.8999 -7.4723 -7.4723 0.7519 0.7519 1.5343 1.5343 2.0137 2.0137 2.4488 2.4488 2.6957 2.6957 2.9517 2.9517 6.5332 6.5332 7.1477 7.1477 9.0828 9.0828 9.9239 9.9239 k = 0.0000 0.1500-0.0000 ( 12573 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1599 -41.1599 -41.1335 -41.1335 -19.8237 -19.8237 -19.8043 -19.8043 -19.6514 -19.6514 -19.6405 -19.6405 -19.6296 -19.6296 -19.6158 -19.6158 -7.8906 -7.8906 -7.4698 -7.4698 0.7677 0.7677 1.4758 1.4758 2.0268 2.0268 2.3722 2.3722 2.6872 2.6872 2.9494 2.9494 6.6012 6.6012 7.2165 7.2165 9.0869 9.0869 9.9634 9.9634 k = 0.0000 0.1625-0.0000 ( 12555 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1596 -41.1596 -41.1338 -41.1338 -19.8236 -19.8236 -19.8046 -19.8046 -19.6513 -19.6513 -19.6408 -19.6408 -19.6295 -19.6295 -19.6161 -19.6161 -7.8806 -7.8806 -7.4672 -7.4672 0.7848 0.7848 1.4166 1.4166 2.0409 2.0409 2.2935 2.2935 2.6764 2.6764 2.9467 2.9467 6.6710 6.6710 7.2877 7.2877 9.0911 9.0911 10.0014 10.0014 k = 0.0000 0.1750-0.0000 ( 12559 PWs) bands (ev): -47.7632 -47.7632 -47.7597 -47.7597 -41.1593 -41.1593 -41.1341 -41.1341 -19.8235 -19.8235 -19.8050 -19.8050 -19.6512 -19.6512 -19.6410 -19.6410 -19.6294 -19.6294 -19.6164 -19.6164 -7.8699 -7.8699 -7.4646 -7.4646 0.8031 0.8031 1.3571 1.3571 2.0561 2.0561 2.2134 2.2134 2.6634 2.6634 2.9436 2.9436 6.7424 6.7424 7.3607 7.3607 9.0956 9.0956 10.0367 10.0367 k = 0.0000 0.1875-0.0000 ( 12551 PWs) bands (ev): -47.7632 -47.7632 -47.7598 -47.7598 -41.1590 -41.1590 -41.1344 -41.1344 -19.8234 -19.8234 -19.8054 -19.8054 -19.6511 -19.6511 -19.6413 -19.6413 -19.6292 -19.6292 -19.6167 -19.6167 -7.8587 -7.8587 -7.4620 -7.4620 0.8224 0.8224 1.2978 1.2978 2.0722 2.0722 2.1325 2.1325 2.6480 2.6480 2.9402 2.9402 6.8150 6.8150 7.4350 7.4350 9.1004 9.1004 10.0685 10.0685 k = 0.0000 0.2000-0.0000 ( 12543 PWs) bands (ev): -47.7631 -47.7631 -47.7598 -47.7598 -41.1586 -41.1586 -41.1347 -41.1347 -19.8233 -19.8233 -19.8057 -19.8057 -19.6510 -19.6510 -19.6416 -19.6416 -19.6291 -19.6291 -19.6170 -19.6170 -7.8468 -7.8468 -7.4595 -7.4595 0.8428 0.8428 1.2391 1.2391 2.0515 2.0515 2.0893 2.0893 2.6303 2.6303 2.9363 2.9363 6.8884 6.8884 7.5101 7.5101 9.1058 9.1058 10.0958 10.0958 k = 0.0000 0.2125-0.0000 ( 12555 PWs) bands (ev): -47.7631 -47.7631 -47.7599 -47.7599 -41.1583 -41.1583 -41.1350 -41.1350 -19.8232 -19.8232 -19.8061 -19.8061 -19.6509 -19.6509 -19.6419 -19.6419 -19.6290 -19.6290 -19.6174 -19.6174 -7.8345 -7.8345 -7.4570 -7.4570 0.8640 0.8640 1.1814 1.1814 1.9708 1.9708 2.1072 2.1072 2.6104 2.6104 2.9320 2.9320 6.9626 6.9626 7.5855 7.5855 9.1116 9.1116 10.1182 10.1182 k = 0.0000 0.2250-0.0000 ( 12563 PWs) bands (ev): -47.7630 -47.7630 -47.7599 -47.7599 -41.1579 -41.1579 -41.1354 -41.1354 -19.8231 -19.8231 -19.8066 -19.8066 -19.6508 -19.6508 -19.6421 -19.6421 -19.6288 -19.6288 -19.6177 -19.6177 -7.8216 -7.8216 -7.4548 -7.4548 0.8860 0.8860 1.1250 1.1250 1.8910 1.8910 2.1260 2.1260 2.5882 2.5882 2.9271 2.9271 7.0374 7.0374 7.6608 7.6608 9.1182 9.1182 10.1352 10.1352 k = 0.0000 0.2375-0.0000 ( 12563 PWs) bands (ev): -47.7629 -47.7629 -47.7599 -47.7599 -41.1575 -41.1575 -41.1358 -41.1358 -19.8229 -19.8229 -19.8070 -19.8070 -19.6507 -19.6507 -19.6424 -19.6424 -19.6287 -19.6287 -19.6180 -19.6180 -7.8084 -7.8084 -7.4527 -7.4527 0.9083 0.9083 1.0704 1.0704 1.8126 1.8126 2.1455 2.1455 2.5639 2.5639 2.9216 2.9216 7.1126 7.1126 7.7357 7.7357 9.1255 9.1255 10.1466 10.1466 k = 0.0000 0.2500-0.0000 ( 12555 PWs) bands (ev): -47.7629 -47.7629 -47.7600 -47.7600 -41.1571 -41.1571 -41.1362 -41.1362 -19.8228 -19.8228 -19.8074 -19.8074 -19.6506 -19.6506 -19.6427 -19.6427 -19.6286 -19.6286 -19.6184 -19.6184 -7.7947 -7.7947 -7.4508 -7.4508 0.9301 0.9301 1.0185 1.0185 1.7363 1.7363 2.1658 2.1658 2.5376 2.5376 2.9156 2.9156 7.1882 7.1882 7.8098 7.8098 9.1336 9.1336 10.1526 10.1526 k = 0.0000 0.2625-0.0000 ( 12553 PWs) bands (ev): -47.7628 -47.7628 -47.7600 -47.7600 -41.1566 -41.1566 -41.1366 -41.1366 -19.8226 -19.8226 -19.8079 -19.8079 -19.6505 -19.6505 -19.6430 -19.6430 -19.6285 -19.6285 -19.6187 -19.6187 -7.7807 -7.7807 -7.4492 -7.4492 0.9444 0.9444 0.9762 0.9762 1.6626 1.6626 2.1868 2.1868 2.5093 2.5093 2.9089 2.9089 7.2642 7.2642 7.8831 7.8831 9.1426 9.1426 10.1532 10.1532 k = 0.0000 0.2750-0.0000 ( 12559 PWs) bands (ev): -47.7627 -47.7627 -47.7601 -47.7601 -41.1562 -41.1562 -41.1370 -41.1370 -19.8225 -19.8225 -19.8084 -19.8084 -19.6504 -19.6504 -19.6432 -19.6432 -19.6283 -19.6283 -19.6191 -19.6191 -7.7664 -7.7664 -7.4480 -7.4480 0.9124 0.9124 0.9818 0.9818 1.5925 1.5925 2.2083 2.2083 2.4792 2.4792 2.9016 2.9016 7.3404 7.3404 7.9553 7.9553 9.1523 9.1523 10.1487 10.1487 k = 0.0000 0.2875-0.0000 ( 12557 PWs) bands (ev): -47.7627 -47.7627 -47.7601 -47.7601 -41.1557 -41.1557 -41.1374 -41.1374 -19.8223 -19.8223 -19.8089 -19.8089 -19.6503 -19.6503 -19.6435 -19.6435 -19.6282 -19.6282 -19.6194 -19.6194 -7.7518 -7.7518 -7.4471 -7.4471 0.8679 0.8679 1.0007 1.0007 1.5271 1.5271 2.2305 2.2305 2.4474 2.4474 2.8935 2.8935 7.4169 7.4169 8.0264 8.0264 9.1627 9.1627 10.1394 10.1394 k = 0.0000 0.3000-0.0000 ( 12558 PWs) bands (ev): -47.7626 -47.7626 -47.7602 -47.7602 -41.1553 -41.1553 -41.1379 -41.1379 -19.8221 -19.8221 -19.8093 -19.8093 -19.6502 -19.6502 -19.6438 -19.6438 -19.6281 -19.6281 -19.6198 -19.6198 -7.7371 -7.7371 -7.4466 -7.4466 0.8250 0.8250 1.0176 1.0176 1.4683 1.4683 2.2531 2.2531 2.4141 2.4141 2.8848 2.8848 7.4937 7.4937 8.0962 8.0962 9.1737 9.1737 10.1255 10.1255 k = 0.0000 0.3125-0.0000 ( 12554 PWs) bands (ev): -47.7625 -47.7625 -47.7603 -47.7603 -41.1548 -41.1548 -41.1384 -41.1384 -19.8219 -19.8219 -19.8098 -19.8098 -19.6500 -19.6500 -19.6440 -19.6440 -19.6279 -19.6279 -19.6201 -19.6201 -7.7223 -7.7223 -7.4466 -7.4466 0.7847 0.7847 1.0290 1.0290 1.4186 1.4186 2.2761 2.2761 2.3793 2.3793 2.8752 2.8752 7.5707 7.5707 8.1647 8.1647 9.1852 9.1852 10.1073 10.1073 k = 0.0000 0.3250-0.0000 ( 12544 PWs) bands (ev): -47.7624 -47.7624 -47.7603 -47.7603 -41.1543 -41.1543 -41.1388 -41.1388 -19.8216 -19.8216 -19.8103 -19.8103 -19.6499 -19.6499 -19.6443 -19.6443 -19.6278 -19.6278 -19.6205 -19.6205 -7.7073 -7.7073 -7.4471 -7.4471 0.7474 0.7474 1.0315 1.0315 1.3816 1.3816 2.2991 2.2991 2.3436 2.3436 2.8649 2.8649 7.6479 7.6479 8.2319 8.2319 9.1969 9.1969 10.0849 10.0849 k = 0.0000 0.3375-0.0000 ( 12542 PWs) bands (ev): -47.7624 -47.7624 -47.7604 -47.7604 -41.1538 -41.1538 -41.1393 -41.1393 -19.8214 -19.8214 -19.8108 -19.8108 -19.6498 -19.6498 -19.6445 -19.6445 -19.6276 -19.6276 -19.6208 -19.6208 -7.6924 -7.6924 -7.4482 -7.4482 0.7133 0.7133 1.0219 1.0219 1.3605 1.3605 2.3027 2.3027 2.3262 2.3262 2.8537 2.8537 7.7253 7.7253 8.2975 8.2975 9.2084 9.2084 10.0584 10.0584 k = 0.0000 0.3500-0.0000 ( 12534 PWs) bands (ev): -47.7623 -47.7623 -47.7604 -47.7604 -41.1532 -41.1532 -41.1398 -41.1398 -19.8212 -19.8212 -19.8114 -19.8114 -19.6497 -19.6497 -19.6448 -19.6448 -19.6275 -19.6275 -19.6212 -19.6212 -7.6775 -7.6775 -7.4498 -7.4498 0.6825 0.6825 0.9996 0.9996 1.3560 1.3560 2.2657 2.2657 2.3487 2.3487 2.8417 2.8417 7.8027 7.8027 8.3616 8.3616 9.2196 9.2196 10.0279 10.0279 k = 0.0000 0.3625-0.0000 ( 12528 PWs) bands (ev): -47.7622 -47.7622 -47.7605 -47.7605 -41.1527 -41.1527 -41.1403 -41.1403 -19.8209 -19.8209 -19.8119 -19.8119 -19.6495 -19.6495 -19.6450 -19.6450 -19.6273 -19.6273 -19.6215 -19.6215 -7.6626 -7.6626 -7.4520 -7.4520 0.6552 0.6552 0.9673 0.9673 1.3654 1.3654 2.2262 2.2262 2.3728 2.3728 2.8289 2.8289 7.8802 7.8802 8.4239 8.4239 9.2299 9.2299 9.9933 9.9933 k = 0.0000 0.3750-0.0000 ( 12518 PWs) bands (ev): -47.7621 -47.7621 -47.7606 -47.7606 -41.1522 -41.1522 -41.1409 -41.1409 -19.8206 -19.8206 -19.8124 -19.8124 -19.6494 -19.6494 -19.6453 -19.6453 -19.6271 -19.6271 -19.6219 -19.6219 -7.6480 -7.6480 -7.4548 -7.4548 0.6314 0.6314 0.9291 0.9291 1.3848 1.3848 2.1857 2.1857 2.3972 2.3972 2.8152 2.8152 7.9576 7.9576 8.4838 8.4838 9.2391 9.2391 9.9546 9.9546 k = 0.0000 0.3875-0.0000 ( 12528 PWs) bands (ev): -47.7621 -47.7621 -47.7606 -47.7606 -41.1516 -41.1516 -41.1414 -41.1414 -19.8203 -19.8203 -19.8129 -19.8129 -19.6492 -19.6492 -19.6455 -19.6455 -19.6270 -19.6270 -19.6222 -19.6222 -7.6335 -7.6335 -7.4583 -7.4583 0.6114 0.6114 0.8883 0.8883 1.4110 1.4110 2.1443 2.1443 2.4217 2.4217 2.8007 2.8007 8.0347 8.0347 8.5410 8.5410 9.2469 9.2469 9.9118 9.9118 k = 0.0000 0.4000-0.0000 ( 12534 PWs) bands (ev): -47.7620 -47.7620 -47.7607 -47.7607 -41.1511 -41.1511 -41.1419 -41.1419 -19.8200 -19.8200 -19.8134 -19.8134 -19.6491 -19.6491 -19.6458 -19.6458 -19.6268 -19.6268 -19.6225 -19.6225 -7.6193 -7.6193 -7.4625 -7.4625 0.5950 0.5950 0.8471 0.8471 1.4417 1.4417 2.1023 2.1023 2.4462 2.4462 2.7853 2.7853 8.1113 8.1113 8.5942 8.5942 9.2533 9.2533 9.8651 9.8651 k = 0.0000 0.4125-0.0000 ( 12530 PWs) bands (ev): -47.7619 -47.7619 -47.7608 -47.7608 -41.1505 -41.1505 -41.1425 -41.1425 -19.8197 -19.8197 -19.8139 -19.8139 -19.6489 -19.6489 -19.6460 -19.6460 -19.6266 -19.6266 -19.6228 -19.6228 -7.6054 -7.6054 -7.4673 -7.4673 0.5825 0.5825 0.8070 0.8070 1.4757 1.4757 2.0597 2.0597 2.4706 2.4706 2.7691 2.7691 8.1873 8.1873 8.6422 8.6422 9.2588 9.2588 9.8148 9.8148 k = 0.0000 0.4250-0.0000 ( 12526 PWs) bands (ev): -47.7618 -47.7618 -47.7609 -47.7609 -41.1499 -41.1499 -41.1430 -41.1430 -19.8194 -19.8194 -19.8143 -19.8143 -19.6488 -19.6488 -19.6463 -19.6463 -19.6264 -19.6264 -19.6231 -19.6231 -7.5919 -7.5919 -7.4729 -7.4729 0.5739 0.5739 0.7689 0.7689 1.5120 1.5120 2.0167 2.0167 2.4949 2.4949 2.7520 2.7520 8.2621 8.2621 8.6827 8.6827 9.2646 9.2646 9.7614 9.7614 k = 0.0000 0.4375-0.0000 ( 12526 PWs) bands (ev): -47.7617 -47.7617 -47.7609 -47.7609 -41.1494 -41.1494 -41.1436 -41.1436 -19.8190 -19.8190 -19.8148 -19.8148 -19.6486 -19.6486 -19.6465 -19.6465 -19.6261 -19.6261 -19.6235 -19.6235 -7.5788 -7.5788 -7.4792 -7.4792 0.5691 0.5691 0.7333 0.7333 1.5500 1.5500 1.9734 1.9734 2.5189 2.5189 2.7342 2.7342 8.3354 8.3354 8.7131 8.7131 9.2730 9.2730 9.7055 9.7055 k = 0.0000 0.4500-0.0000 ( 12534 PWs) bands (ev): -47.7616 -47.7616 -47.7610 -47.7610 -41.1488 -41.1488 -41.1442 -41.1442 -19.8187 -19.8187 -19.8153 -19.8153 -19.6484 -19.6484 -19.6467 -19.6467 -19.6259 -19.6259 -19.6238 -19.6238 -7.5662 -7.5662 -7.4862 -7.4862 0.5683 0.5683 0.7006 0.7006 1.5895 1.5895 1.9299 1.9299 2.5427 2.5427 2.7155 2.7155 8.4065 8.4065 8.7304 8.7304 9.2868 9.2868 9.6481 9.6481 k = 0.0000 0.4625-0.0000 ( 12526 PWs) bands (ev): -47.7616 -47.7616 -47.7611 -47.7611 -41.1482 -41.1482 -41.1447 -41.1447 -19.8183 -19.8183 -19.8158 -19.8158 -19.6482 -19.6482 -19.6470 -19.6470 -19.6257 -19.6257 -19.6241 -19.6241 -7.5541 -7.5541 -7.4939 -7.4939 0.5714 0.5714 0.6712 0.6712 1.6301 1.6301 1.8864 1.8864 2.5661 2.5661 2.6961 2.6961 8.4746 8.4746 8.7323 8.7323 9.3084 9.3084 9.5901 9.5901 k = 0.0000 0.4750-0.0000 ( 12522 PWs) bands (ev): -47.7615 -47.7615 -47.7612 -47.7612 -41.1476 -41.1476 -41.1453 -41.1453 -19.8179 -19.8179 -19.8162 -19.8162 -19.6480 -19.6480 -19.6472 -19.6472 -19.6254 -19.6254 -19.6243 -19.6243 -7.5425 -7.5425 -7.5023 -7.5023 0.5785 0.5785 0.6453 0.6453 1.6715 1.6715 1.8428 1.8428 2.5892 2.5892 2.6760 2.6760 8.5386 8.5386 8.7182 8.7182 9.3392 9.3392 9.5328 9.5328 k = 0.0000 0.4875-0.0000 ( 12520 PWs) bands (ev): -47.7614 -47.7614 -47.7612 -47.7612 -41.1470 -41.1470 -41.1459 -41.1459 -19.8175 -19.8175 -19.8166 -19.8166 -19.6478 -19.6478 -19.6474 -19.6474 -19.6252 -19.6252 -19.6246 -19.6246 -7.5315 -7.5315 -7.5113 -7.5113 0.5895 0.5895 0.6229 0.6229 1.7136 1.7136 1.7994 1.7994 2.6117 2.6117 2.6552 2.6552 8.5971 8.5971 8.6893 8.6893 9.3788 9.3788 9.4774 9.4774 k = 0.0000 0.5000-0.0000 ( 12528 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5211 -7.5211 -7.5211 -7.5211 0.6043 0.6043 0.6043 0.6043 1.7563 1.7563 1.7563 1.7563 2.6337 2.6337 2.6337 2.6337 8.6481 8.6481 8.6481 8.6481 9.4254 9.4254 9.4254 9.4254 k = 0.0000 0.5000-0.0000 ( 12528 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5211 -7.5211 -7.5211 -7.5211 0.6043 0.6043 0.6043 0.6043 1.7563 1.7563 1.7563 1.7563 2.6337 2.6337 2.6337 2.6337 8.6481 8.6481 8.6481 8.6481 9.4254 9.4254 9.4254 9.4254 k = 0.0125 0.5000-0.0000 ( 12530 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8170 -19.8170 -19.6480 -19.6480 -19.6473 -19.6473 -19.6252 -19.6252 -19.6246 -19.6246 -7.5209 -7.5209 -7.5209 -7.5209 0.6049 0.6049 0.6050 0.6050 1.7557 1.7557 1.7569 1.7569 2.6304 2.6304 2.6318 2.6318 8.6472 8.6472 8.6476 8.6476 9.4217 9.4217 9.4218 9.4218 k = 0.0250 0.5000-0.0000 ( 12518 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8170 -19.8170 -19.6483 -19.6483 -19.6469 -19.6469 -19.6256 -19.6256 -19.6243 -19.6243 -7.5202 -7.5202 -7.5202 -7.5202 0.6069 0.6069 0.6070 0.6070 1.7549 1.7549 1.7573 1.7573 2.6219 2.6219 2.6247 2.6247 8.6445 8.6445 8.6453 8.6453 9.4113 9.4113 9.4114 9.4114 k = 0.0375 0.5000-0.0000 ( 12520 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8170 -19.8170 -19.6487 -19.6487 -19.6465 -19.6465 -19.6259 -19.6259 -19.6240 -19.6240 -7.5191 -7.5191 -7.5191 -7.5191 0.6102 0.6102 0.6103 0.6103 1.7539 1.7539 1.7575 1.7575 2.6083 2.6083 2.6126 2.6126 8.6387 8.6387 8.6398 8.6398 9.3958 9.3958 9.3964 9.3964 k = 0.0500 0.5000-0.0000 ( 12532 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8170 -19.8170 -19.6490 -19.6490 -19.6462 -19.6462 -19.6263 -19.6263 -19.6238 -19.6238 -7.5176 -7.5176 -7.5176 -7.5176 0.6147 0.6147 0.6149 0.6149 1.7528 1.7528 1.7576 1.7576 2.5899 2.5899 2.5956 2.5956 8.6279 8.6279 8.6292 8.6292 9.3781 9.3781 9.3794 9.3794 k = 0.0625 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8173 -19.8173 -19.8170 -19.8170 -19.6493 -19.6493 -19.6458 -19.6458 -19.6267 -19.6267 -19.6235 -19.6235 -7.5156 -7.5156 -7.5156 -7.5156 0.6206 0.6206 0.6208 0.6208 1.7514 1.7514 1.7575 1.7575 2.5669 2.5669 2.5741 2.5741 8.6099 8.6099 8.6111 8.6111 9.3608 9.3608 9.3633 9.3633 k = 0.0750 0.5000-0.0000 ( 12540 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8173 -19.8173 -19.8170 -19.8170 -19.6496 -19.6496 -19.6455 -19.6455 -19.6271 -19.6271 -19.6233 -19.6233 -7.5132 -7.5132 -7.5132 -7.5132 0.6277 0.6277 0.6279 0.6279 1.7497 1.7497 1.7572 1.7572 2.5396 2.5396 2.5484 2.5484 8.5827 8.5827 8.5838 8.5838 9.3462 9.3462 9.3500 9.3500 k = 0.0875 0.5000-0.0000 ( 12552 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8174 -19.8174 -19.8170 -19.8170 -19.6500 -19.6500 -19.6452 -19.6452 -19.6275 -19.6275 -19.6231 -19.6231 -7.5105 -7.5105 -7.5104 -7.5104 0.6360 0.6360 0.6362 0.6362 1.7476 1.7476 1.7566 1.7566 2.5086 2.5086 2.5190 2.5190 8.5452 8.5452 8.5460 8.5460 9.3349 9.3349 9.3402 9.3402 k = 0.1000 0.5000-0.0000 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8174 -19.8174 -19.8170 -19.8170 -19.6503 -19.6503 -19.6448 -19.6448 -19.6279 -19.6279 -19.6230 -19.6230 -7.5073 -7.5073 -7.5073 -7.5073 0.6454 0.6454 0.6458 0.6458 1.7450 1.7450 1.7556 1.7556 2.4741 2.4741 2.4863 2.4863 8.4974 8.4974 8.4980 8.4980 9.3260 9.3260 9.3326 9.3326 k = 0.1125 0.5000-0.0000 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8175 -19.8175 -19.8170 -19.8170 -19.6506 -19.6506 -19.6445 -19.6445 -19.6284 -19.6284 -19.6228 -19.6228 -7.5038 -7.5038 -7.5037 -7.5037 0.6560 0.6560 0.6564 0.6564 1.7418 1.7418 1.7542 1.7542 2.4369 2.4369 2.4508 2.4508 8.4404 8.4404 8.4408 8.4408 9.3172 9.3172 9.3249 9.3249 k = 0.1250 0.5000-0.0000 ( 12550 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8175 -19.8175 -19.8170 -19.8170 -19.6508 -19.6508 -19.6442 -19.6442 -19.6288 -19.6288 -19.6227 -19.6227 -7.4999 -7.4999 -7.4999 -7.4999 0.6677 0.6677 0.6682 0.6682 1.7379 1.7379 1.7521 1.7521 2.3973 2.3973 2.4132 2.4132 8.3758 8.3758 8.3760 8.3760 9.3061 9.3061 9.3145 9.3145 k = 0.1375 0.5000-0.0000 ( 12530 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8176 -19.8176 -19.8170 -19.8170 -19.6511 -19.6511 -19.6439 -19.6439 -19.6292 -19.6292 -19.6226 -19.6226 -7.4957 -7.4957 -7.4956 -7.4956 0.6803 0.6803 0.6809 0.6809 1.7332 1.7332 1.7494 1.7494 2.3559 2.3559 2.3739 2.3739 8.3054 8.3054 8.3054 8.3054 9.2907 9.2907 9.2994 9.2994 k = 0.1500 0.5000-0.0000 ( 12538 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8177 -19.8177 -19.8170 -19.8170 -19.6514 -19.6514 -19.6437 -19.6437 -19.6296 -19.6296 -19.6225 -19.6225 -7.4912 -7.4912 -7.4911 -7.4911 0.6939 0.6939 0.6946 0.6946 1.7273 1.7273 1.7458 1.7458 2.3134 2.3134 2.3336 2.3336 8.2306 8.2306 8.2307 8.2307 9.2702 9.2702 9.2788 9.2788 k = 0.1625 0.5000-0.0000 ( 12534 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8177 -19.8177 -19.8171 -19.8171 -19.6516 -19.6516 -19.6434 -19.6434 -19.6300 -19.6300 -19.6225 -19.6225 -7.4864 -7.4864 -7.4863 -7.4863 0.7083 0.7083 0.7091 0.7091 1.7203 1.7203 1.7411 1.7411 2.2704 2.2704 2.2929 2.2929 8.1530 8.1530 8.1531 8.1531 9.2442 9.2442 9.2525 9.2525 k = 0.1750 0.5000-0.0000 ( 12526 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8178 -19.8178 -19.8171 -19.8171 -19.6518 -19.6518 -19.6432 -19.6432 -19.6304 -19.6304 -19.6224 -19.6224 -7.4813 -7.4813 -7.4813 -7.4813 0.7234 0.7234 0.7244 0.7244 1.7117 1.7117 1.7351 1.7351 2.2275 2.2275 2.2524 2.2524 8.0738 8.0738 8.0738 8.0738 9.2132 9.2132 9.2209 9.2209 k = 0.1875 0.5000-0.0000 ( 12518 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8179 -19.8179 -19.8172 -19.8172 -19.6520 -19.6520 -19.6430 -19.6430 -19.6307 -19.6307 -19.6224 -19.6224 -7.4760 -7.4760 -7.4760 -7.4760 0.7391 0.7391 0.7403 0.7403 1.7016 1.7016 1.7276 1.7276 2.1854 2.1854 2.2128 2.2128 7.9937 7.9937 7.9938 7.9938 9.1777 9.1777 9.1849 9.1849 k = 0.2000 0.5000-0.0000 ( 12528 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1464 -41.1464 -41.1464 -41.1464 -19.8179 -19.8179 -19.8172 -19.8172 -19.6522 -19.6522 -19.6429 -19.6429 -19.6310 -19.6310 -19.6224 -19.6224 -7.4706 -7.4706 -7.4705 -7.4705 0.7553 0.7553 0.7568 0.7568 1.6896 1.6896 1.7183 1.7183 2.1447 2.1447 2.1747 2.1747 7.9136 7.9136 7.9137 7.9137 9.1384 9.1384 9.1451 9.1451 k = 0.2125 0.5000-0.0000 ( 12534 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1464 -41.1464 -41.1464 -41.1464 -19.8180 -19.8180 -19.8172 -19.8172 -19.6524 -19.6524 -19.6428 -19.6428 -19.6313 -19.6313 -19.6225 -19.6225 -7.4649 -7.4649 -7.4649 -7.4649 0.7718 0.7718 0.7735 0.7735 1.6756 1.6756 1.7070 1.7070 2.1061 2.1061 2.1385 2.1385 7.8342 7.8342 7.8342 7.8342 9.0961 9.0961 9.1022 9.1022 k = 0.2250 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8180 -19.8180 -19.8173 -19.8173 -19.6525 -19.6525 -19.6428 -19.6428 -19.6315 -19.6315 -19.6225 -19.6225 -7.4592 -7.4592 -7.4592 -7.4592 0.7885 0.7885 0.7904 0.7904 1.6597 1.6597 1.6935 1.6935 2.0701 2.0701 2.1047 2.1047 7.7557 7.7557 7.7558 7.7558 9.0514 9.0514 9.0570 9.0570 k = 0.2375 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8181 -19.8181 -19.8174 -19.8174 -19.6526 -19.6526 -19.6428 -19.6428 -19.6317 -19.6317 -19.6226 -19.6226 -7.4533 -7.4533 -7.4533 -7.4533 0.8051 0.8051 0.8073 0.8073 1.6420 1.6420 1.6778 1.6778 2.0373 2.0373 2.0736 2.0736 7.6788 7.6788 7.6789 7.6789 9.0050 9.0050 9.0101 9.0101 k = 0.2500 0.5000-0.0000 ( 12528 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8182 -19.8182 -19.8174 -19.8174 -19.6527 -19.6527 -19.6428 -19.6428 -19.6318 -19.6318 -19.6227 -19.6227 -7.4474 -7.4474 -7.4474 -7.4474 0.8214 0.8214 0.8239 0.8239 1.6227 1.6227 1.6601 1.6601 2.0077 2.0077 2.0453 2.0453 7.6038 7.6038 7.6039 7.6039 8.9573 8.9573 8.9620 8.9620 k = 0.2625 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8182 -19.8182 -19.8175 -19.8175 -19.6528 -19.6528 -19.6429 -19.6429 -19.6319 -19.6319 -19.6228 -19.6228 -7.4415 -7.4415 -7.4415 -7.4415 0.8371 0.8371 0.8400 0.8400 1.6023 1.6023 1.6408 1.6408 1.9814 1.9814 2.0197 2.0197 7.5309 7.5309 7.5311 7.5311 8.9091 8.9091 8.9134 8.9134 k = 0.2750 0.5000-0.0000 ( 12530 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8183 -19.8183 -19.8175 -19.8175 -19.6529 -19.6529 -19.6431 -19.6431 -19.6319 -19.6319 -19.6229 -19.6229 -7.4356 -7.4356 -7.4356 -7.4356 0.8520 0.8520 0.8552 0.8552 1.5815 1.5815 1.6205 1.6205 1.9582 1.9582 1.9966 1.9966 7.4605 7.4605 7.4607 7.4607 8.8606 8.8606 8.8645 8.8645 k = 0.2875 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8183 -19.8183 -19.8176 -19.8176 -19.6529 -19.6529 -19.6433 -19.6433 -19.6319 -19.6319 -19.6231 -19.6231 -7.4297 -7.4297 -7.4297 -7.4297 0.8657 0.8657 0.8692 0.8692 1.5611 1.5611 1.6001 1.6001 1.9377 1.9377 1.9757 1.9757 7.3928 7.3928 7.3930 7.3930 8.8124 8.8124 8.8160 8.8160 k = 0.3000 0.5000-0.0000 ( 12544 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8184 -19.8184 -19.8177 -19.8177 -19.6529 -19.6529 -19.6436 -19.6436 -19.6319 -19.6319 -19.6232 -19.6232 -7.4239 -7.4239 -7.4239 -7.4239 0.8780 0.8780 0.8817 0.8817 1.5417 1.5417 1.5804 1.5804 1.9193 1.9193 1.9567 1.9567 7.3280 7.3280 7.3283 7.3283 8.7649 8.7649 8.7682 8.7682 k = 0.3125 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8184 -19.8184 -19.8177 -19.8177 -19.6529 -19.6529 -19.6439 -19.6439 -19.6317 -19.6317 -19.6234 -19.6234 -7.4183 -7.4183 -7.4183 -7.4183 0.8884 0.8884 0.8924 0.8924 1.5243 1.5243 1.5624 1.5624 1.9026 1.9026 1.9390 1.9390 7.2663 7.2663 7.2666 7.2666 8.7185 8.7185 8.7214 8.7214 k = 0.3250 0.5000-0.0000 ( 12556 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8185 -19.8185 -19.8178 -19.8178 -19.6529 -19.6529 -19.6442 -19.6442 -19.6316 -19.6316 -19.6236 -19.6236 -7.4128 -7.4128 -7.4128 -7.4128 0.8967 0.8967 0.9008 0.9008 1.5096 1.5096 1.5468 1.5468 1.8872 1.8872 1.9224 1.9224 7.2079 7.2079 7.2082 7.2082 8.6734 8.6734 8.6761 8.6761 k = 0.3375 0.5000-0.0000 ( 12550 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1462 -41.1462 -41.1462 -41.1462 -19.8185 -19.8185 -19.8179 -19.8179 -19.6528 -19.6528 -19.6446 -19.6446 -19.6314 -19.6314 -19.6238 -19.6238 -7.4075 -7.4075 -7.4075 -7.4075 0.9027 0.9027 0.9069 0.9069 1.4981 1.4981 1.5343 1.5343 1.8725 1.8725 1.9066 1.9066 7.1529 7.1529 7.1532 7.1532 8.6301 8.6301 8.6325 8.6325 k = 0.3500 0.5000-0.0000 ( 12558 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8180 -19.8180 -19.6527 -19.6527 -19.6450 -19.6450 -19.6312 -19.6312 -19.6240 -19.6240 -7.4024 -7.4024 -7.4024 -7.4024 0.9063 0.9063 0.9104 0.9104 1.4903 1.4903 1.5253 1.5253 1.8583 1.8583 1.8912 1.8912 7.1014 7.1014 7.1017 7.1017 8.5888 8.5888 8.5910 8.5910 k = 0.3625 0.5000-0.0000 ( 12538 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8180 -19.8180 -19.6526 -19.6526 -19.6454 -19.6454 -19.6309 -19.6309 -19.6243 -19.6243 -7.3976 -7.3976 -7.3976 -7.3976 0.9075 0.9075 0.9115 0.9115 1.4863 1.4863 1.5201 1.5201 1.8443 1.8443 1.8760 1.8760 7.0537 7.0537 7.0540 7.0540 8.5498 8.5498 8.5518 8.5518 k = 0.3750 0.5000-0.0000 ( 12542 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8181 -19.8181 -19.6525 -19.6525 -19.6458 -19.6458 -19.6307 -19.6307 -19.6245 -19.6245 -7.3931 -7.3931 -7.3931 -7.3931 0.9066 0.9066 0.9103 0.9103 1.4861 1.4861 1.5185 1.5185 1.8304 1.8304 1.8610 1.8610 7.0097 7.0097 7.0100 7.0100 8.5134 8.5134 8.5152 8.5152 k = 0.3875 0.5000-0.0000 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8182 -19.8182 -19.6523 -19.6523 -19.6462 -19.6462 -19.6304 -19.6304 -19.6248 -19.6248 -7.3889 -7.3889 -7.3889 -7.3889 0.9039 0.9039 0.9073 0.9073 1.4894 1.4894 1.5205 1.5205 1.8165 1.8165 1.8458 1.8458 6.9696 6.9696 6.9699 6.9699 8.4798 8.4798 8.4813 8.4813 k = 0.4000 0.5000-0.0000 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8182 -19.8182 -19.6521 -19.6521 -19.6467 -19.6467 -19.6301 -19.6301 -19.6251 -19.6251 -7.3851 -7.3851 -7.3851 -7.3851 0.8998 0.8998 0.9027 0.9027 1.4959 1.4959 1.5255 1.5255 1.8025 1.8025 1.8306 1.8306 6.9336 6.9336 6.9338 6.9338 8.4491 8.4491 8.4505 8.4505 k = 0.4125 0.5000-0.0000 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8183 -19.8183 -19.6519 -19.6519 -19.6471 -19.6471 -19.6298 -19.6298 -19.6253 -19.6253 -7.3817 -7.3817 -7.3817 -7.3817 0.8948 0.8948 0.8973 0.8973 1.5050 1.5050 1.5331 1.5331 1.7884 1.7884 1.8153 1.8153 6.9016 6.9016 6.9018 6.9018 8.4216 8.4216 8.4228 8.4228 k = 0.4250 0.5000-0.0000 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8184 -19.8184 -19.6517 -19.6517 -19.6475 -19.6475 -19.6295 -19.6295 -19.6256 -19.6256 -7.3787 -7.3787 -7.3787 -7.3787 0.8894 0.8894 0.8915 0.8915 1.5161 1.5161 1.5425 1.5425 1.7745 1.7745 1.7999 1.7999 6.8737 6.8737 6.8739 6.8739 8.3975 8.3975 8.3985 8.3985 k = 0.4375 0.5000-0.0000 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8184 -19.8184 -19.6515 -19.6515 -19.6480 -19.6480 -19.6292 -19.6292 -19.6259 -19.6259 -7.3761 -7.3761 -7.3761 -7.3761 0.8840 0.8840 0.8857 0.8857 1.5286 1.5286 1.5530 1.5530 1.7611 1.7611 1.7847 1.7847 6.8500 6.8500 6.8502 6.8502 8.3768 8.3768 8.3776 8.3776 k = 0.4500 0.5000-0.0000 ( 12536 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8185 -19.8185 -19.6512 -19.6512 -19.6484 -19.6484 -19.6288 -19.6288 -19.6262 -19.6262 -7.3739 -7.3739 -7.3739 -7.3739 0.8791 0.8791 0.8804 0.8804 1.5418 1.5418 1.5637 1.5637 1.7485 1.7485 1.7698 1.7698 6.8306 6.8306 6.8308 6.8308 8.3598 8.3598 8.3604 8.3604 k = 0.4625 0.5000-0.0000 ( 12528 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8185 -19.8185 -19.6509 -19.6509 -19.6488 -19.6488 -19.6285 -19.6285 -19.6266 -19.6266 -7.3722 -7.3722 -7.3722 -7.3722 0.8749 0.8749 0.8759 0.8759 1.5549 1.5549 1.5734 1.5734 1.7377 1.7377 1.7558 1.7558 6.8155 6.8155 6.8156 6.8156 8.3464 8.3464 8.3469 8.3469 k = 0.4750 0.5000-0.0000 ( 12520 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6506 -19.6506 -19.6492 -19.6492 -19.6282 -19.6282 -19.6269 -19.6269 -7.3710 -7.3710 -7.3710 -7.3710 0.8718 0.8718 0.8724 0.8724 1.5670 1.5670 1.5807 1.5807 1.7298 1.7298 1.7433 1.7433 6.8046 6.8046 6.8047 6.8047 8.3368 8.3368 8.3372 8.3372 k = 0.4875 0.5000-0.0000 ( 12516 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6503 -19.6503 -19.6496 -19.6496 -19.6279 -19.6279 -19.6272 -19.6272 -7.3703 -7.3703 -7.3703 -7.3703 0.8699 0.8699 0.8702 0.8702 1.5767 1.5767 1.5842 1.5842 1.7260 1.7260 1.7334 1.7334 6.7981 6.7981 6.7982 6.7982 8.3311 8.3311 8.3313 8.3313 k = 0.5000 0.5000-0.0000 ( 12532 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3700 -7.3700 -7.3700 -7.3700 0.8694 0.8694 0.8694 0.8694 1.5828 1.5828 1.5828 1.5828 1.7273 1.7273 1.7273 1.7273 6.7960 6.7960 6.7960 6.7960 8.3293 8.3293 8.3293 8.3293 k = 0.5000 0.5000-0.0000 ( 12532 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3700 -7.3700 -7.3700 -7.3700 0.8694 0.8694 0.8694 0.8694 1.5828 1.5828 1.5828 1.5828 1.7273 1.7273 1.7273 1.7273 6.7960 6.7960 6.7960 6.7960 8.3293 8.3293 8.3293 8.3293 k = 0.4911 0.4911-0.0000 ( 12514 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6503 -19.6503 -19.6495 -19.6495 -19.6279 -19.6279 -19.6272 -19.6272 -7.3705 -7.3705 -7.3701 -7.3701 0.8699 0.8699 0.8703 0.8703 1.5755 1.5755 1.5855 1.5855 1.7247 1.7247 1.7347 1.7347 6.7969 6.7969 6.7995 6.7995 8.3299 8.3299 8.3326 8.3326 k = 0.4821 0.4821-0.0000 ( 12524 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1461 -41.1461 -19.8187 -19.8187 -19.8186 -19.8186 -19.6506 -19.6506 -19.6492 -19.6492 -19.6282 -19.6282 -19.6269 -19.6269 -7.3719 -7.3719 -7.3702 -7.3702 0.8719 0.8719 0.8726 0.8726 1.5606 1.5606 1.5882 1.5882 1.7220 1.7220 1.7499 1.7499 6.7997 6.7997 6.8100 6.8100 8.3319 8.3319 8.3424 8.3424 k = 0.4732 0.4732-0.0000 ( 12530 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1463 -41.1463 -41.1461 -41.1461 -19.8187 -19.8187 -19.8185 -19.8185 -19.6509 -19.6509 -19.6488 -19.6488 -19.6285 -19.6285 -19.6265 -19.6265 -7.3742 -7.3742 -7.3703 -7.3703 0.8752 0.8752 0.8763 0.8763 1.5404 1.5404 1.5925 1.5925 1.7179 1.7179 1.7707 1.7707 6.8043 6.8043 6.8276 6.8276 8.3352 8.3352 8.3587 8.3587 k = 0.4643 0.4643-0.0000 ( 12536 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1464 -41.1464 -41.1460 -41.1460 -19.8188 -19.8188 -19.8184 -19.8184 -19.6512 -19.6512 -19.6484 -19.6484 -19.6289 -19.6289 -19.6262 -19.6262 -7.3775 -7.3775 -7.3706 -7.3706 0.8798 0.8798 0.8816 0.8816 1.5174 1.5174 1.5983 1.5983 1.7122 1.7122 1.7947 1.7947 6.8110 6.8110 6.8520 6.8520 8.3398 8.3398 8.3814 8.3814 k = 0.4554 0.4554-0.0000 ( 12538 PWs) bands (ev): -47.7612 -47.7612 -47.7611 -47.7611 -41.1465 -41.1465 -41.1459 -41.1459 -19.8188 -19.8188 -19.8183 -19.8183 -19.6515 -19.6515 -19.6479 -19.6479 -19.6292 -19.6292 -19.6259 -19.6259 -7.3816 -7.3816 -7.3709 -7.3709 0.8858 0.8858 0.8884 0.8884 1.4929 1.4929 1.6057 1.6057 1.7049 1.7049 1.8204 1.8204 6.8197 6.8197 6.8832 6.8832 8.3457 8.3457 8.4102 8.4102 k = 0.4464 0.4464-0.0000 ( 12552 PWs) bands (ev): -47.7612 -47.7612 -47.7611 -47.7611 -41.1466 -41.1466 -41.1458 -41.1458 -19.8189 -19.8189 -19.8182 -19.8182 -19.6517 -19.6517 -19.6475 -19.6475 -19.6295 -19.6295 -19.6256 -19.6256 -7.3867 -7.3867 -7.3712 -7.3712 0.8932 0.8932 0.8967 0.8967 1.4679 1.4679 1.6147 1.6147 1.6961 1.6961 1.8473 1.8473 6.8306 6.8306 6.9210 6.9210 8.3529 8.3529 8.4448 8.4448 k = 0.4375 0.4375-0.0000 ( 12554 PWs) bands (ev): -47.7612 -47.7612 -47.7610 -47.7610 -41.1468 -41.1468 -41.1456 -41.1456 -19.8189 -19.8189 -19.8180 -19.8180 -19.6520 -19.6520 -19.6471 -19.6471 -19.6298 -19.6298 -19.6253 -19.6253 -7.3926 -7.3926 -7.3717 -7.3717 0.9018 0.9018 0.9066 0.9066 1.4428 1.4428 1.6254 1.6254 1.6857 1.6857 1.8747 1.8747 6.8438 6.8438 6.9652 6.9652 8.3614 8.3614 8.4850 8.4850 k = 0.4286 0.4286-0.0000 ( 12558 PWs) bands (ev): -47.7612 -47.7612 -47.7610 -47.7610 -41.1469 -41.1469 -41.1455 -41.1455 -19.8190 -19.8190 -19.8179 -19.8179 -19.6522 -19.6522 -19.6466 -19.6466 -19.6301 -19.6301 -19.6250 -19.6250 -7.3994 -7.3994 -7.3722 -7.3722 0.9117 0.9117 0.9180 0.9180 1.4180 1.4180 1.6376 1.6376 1.6738 1.6738 1.9027 1.9027 6.8593 6.8593 7.0157 7.0157 8.3712 8.3712 8.5305 8.5305 k = 0.4196 0.4196-0.0000 ( 12554 PWs) bands (ev): -47.7613 -47.7613 -47.7610 -47.7610 -41.1471 -41.1471 -41.1453 -41.1453 -19.8191 -19.8191 -19.8177 -19.8177 -19.6523 -19.6523 -19.6462 -19.6462 -19.6304 -19.6304 -19.6247 -19.6247 -7.4071 -7.4071 -7.3729 -7.3729 0.9229 0.9229 0.9311 0.9311 1.3936 1.3936 1.6514 1.6514 1.6605 1.6605 1.9309 1.9309 6.8773 6.8773 7.0722 7.0722 8.3821 8.3821 8.5810 8.5810 k = 0.4107 0.4107-0.0000 ( 12546 PWs) bands (ev): -47.7613 -47.7613 -47.7610 -47.7610 -41.1474 -41.1474 -41.1451 -41.1451 -19.8192 -19.8192 -19.8175 -19.8175 -19.6525 -19.6525 -19.6458 -19.6458 -19.6307 -19.6307 -19.6245 -19.6245 -7.4155 -7.4155 -7.3736 -7.3736 0.9354 0.9354 0.9458 0.9458 1.3700 1.3700 1.6456 1.6456 1.6669 1.6669 1.9593 1.9593 6.8978 6.8978 7.1344 7.1344 8.3943 8.3943 8.6361 8.6361 k = 0.4018 0.4018-0.0000 ( 12554 PWs) bands (ev): -47.7613 -47.7613 -47.7610 -47.7610 -41.1476 -41.1476 -41.1449 -41.1449 -19.8193 -19.8193 -19.8173 -19.8173 -19.6526 -19.6526 -19.6454 -19.6454 -19.6310 -19.6310 -19.6242 -19.6242 -7.4248 -7.4248 -7.3745 -7.3745 0.9490 0.9490 0.9621 0.9621 1.3473 1.3473 1.6295 1.6295 1.6838 1.6838 1.9878 1.9878 6.9207 6.9207 7.2020 7.2020 8.4076 8.4076 8.6955 8.6955 k = 0.3929 0.3929-0.0000 ( 12542 PWs) bands (ev): -47.7614 -47.7614 -47.7609 -47.7609 -41.1478 -41.1478 -41.1446 -41.1446 -19.8194 -19.8194 -19.8170 -19.8170 -19.6527 -19.6527 -19.6449 -19.6449 -19.6312 -19.6312 -19.6239 -19.6239 -7.4348 -7.4348 -7.3754 -7.3754 0.9639 0.9639 0.9801 0.9801 1.3257 1.3257 1.6120 1.6120 1.7023 1.7023 2.0165 2.0165 6.9461 6.9461 7.2747 7.2747 8.4221 8.4221 8.7589 8.7589 k = 0.3839 0.3839-0.0000 ( 12544 PWs) bands (ev): -47.7614 -47.7614 -47.7609 -47.7609 -41.1481 -41.1481 -41.1444 -41.1444 -19.8195 -19.8195 -19.8168 -19.8168 -19.6528 -19.6528 -19.6445 -19.6445 -19.6314 -19.6314 -19.6237 -19.6237 -7.4455 -7.4455 -7.3765 -7.3765 0.9800 0.9800 0.9996 0.9996 1.3053 1.3053 1.5933 1.5933 1.7223 1.7223 2.0453 2.0453 6.9738 6.9738 7.3522 7.3522 8.4377 8.4377 8.8260 8.8260 k = 0.3750 0.3750-0.0000 ( 12540 PWs) bands (ev): -47.7615 -47.7615 -47.7609 -47.7609 -41.1484 -41.1484 -41.1441 -41.1441 -19.8197 -19.8197 -19.8165 -19.8165 -19.6529 -19.6529 -19.6442 -19.6442 -19.6316 -19.6316 -19.6234 -19.6234 -7.4569 -7.4569 -7.3777 -7.3777 0.9972 0.9972 1.0209 1.0209 1.2863 1.2863 1.5736 1.5736 1.7437 1.7437 2.0741 2.0741 7.0037 7.0037 7.4340 7.4340 8.4543 8.4543 8.8965 8.8965 k = 0.3661 0.3661-0.0000 ( 12530 PWs) bands (ev): -47.7615 -47.7615 -47.7608 -47.7608 -41.1487 -41.1487 -41.1438 -41.1438 -19.8198 -19.8198 -19.8162 -19.8162 -19.6529 -19.6529 -19.6438 -19.6438 -19.6318 -19.6318 -19.6232 -19.6232 -7.4689 -7.4689 -7.3790 -7.3790 1.0155 1.0155 1.0436 1.0436 1.2688 1.2688 1.5530 1.5530 1.7665 1.7665 2.1030 2.1030 7.0356 7.0356 7.5198 7.5198 8.4720 8.4720 8.9700 8.9700 k = 0.3571 0.3571-0.0000 ( 12532 PWs) bands (ev): -47.7616 -47.7616 -47.7608 -47.7608 -41.1491 -41.1491 -41.1435 -41.1435 -19.8199 -19.8199 -19.8158 -19.8158 -19.6529 -19.6529 -19.6435 -19.6435 -19.6319 -19.6319 -19.6230 -19.6230 -7.4815 -7.4815 -7.3805 -7.3805 1.0348 1.0348 1.0679 1.0679 1.2529 1.2529 1.5317 1.5317 1.7908 1.7908 2.1319 2.1319 7.0691 7.0691 7.6090 7.6090 8.4906 8.4906 9.0463 9.0463 k = 0.3482 0.3482-0.0000 ( 12530 PWs) bands (ev): -47.7616 -47.7616 -47.7608 -47.7608 -41.1494 -41.1494 -41.1432 -41.1432 -19.8201 -19.8201 -19.8155 -19.8155 -19.6529 -19.6529 -19.6432 -19.6432 -19.6320 -19.6320 -19.6227 -19.6227 -7.4948 -7.4948 -7.3822 -7.3822 1.0551 1.0551 1.0935 1.0935 1.2388 1.2388 1.5099 1.5099 1.8164 1.8164 2.1609 2.1609 7.1039 7.1039 7.7010 7.7010 8.5101 8.5101 9.1252 9.1252 k = 0.3393 0.3393-0.0000 ( 12530 PWs) bands (ev): -47.7617 -47.7617 -47.7607 -47.7607 -41.1498 -41.1498 -41.1428 -41.1428 -19.8202 -19.8202 -19.8152 -19.8152 -19.6529 -19.6529 -19.6430 -19.6430 -19.6321 -19.6321 -19.6225 -19.6225 -7.5085 -7.5085 -7.3839 -7.3839 1.0763 1.0763 1.1201 1.1201 1.2267 1.2267 1.4882 1.4882 1.8433 1.8433 2.1898 2.1898 7.1395 7.1395 7.7954 7.7954 8.5305 8.5305 9.2063 9.2063 k = 0.3304 0.3304-0.0000 ( 12522 PWs) bands (ev): -47.7617 -47.7617 -47.7607 -47.7607 -41.1501 -41.1501 -41.1425 -41.1425 -19.8204 -19.8204 -19.8148 -19.8148 -19.6529 -19.6529 -19.6427 -19.6427 -19.6321 -19.6321 -19.6223 -19.6223 -7.5227 -7.5227 -7.3859 -7.3859 1.0982 1.0982 1.1472 1.1472 1.2167 1.2167 1.4670 1.4670 1.8715 1.8715 2.2186 2.2186 7.1756 7.1756 7.8913 7.8913 8.5517 8.5517 9.2895 9.2895 k = 0.3214 0.3214-0.0000 ( 12512 PWs) bands (ev): -47.7618 -47.7618 -47.7607 -47.7607 -41.1505 -41.1505 -41.1422 -41.1422 -19.8205 -19.8205 -19.8144 -19.8144 -19.6528 -19.6528 -19.6426 -19.6426 -19.6321 -19.6321 -19.6221 -19.6221 -7.5374 -7.5374 -7.3880 -7.3880 1.1206 1.1206 1.1739 1.1739 1.2091 1.2091 1.4475 1.4475 1.9009 1.9009 2.2473 2.2473 7.2114 7.2114 7.9878 7.9878 8.5737 8.5737 9.3746 9.3746 k = 0.3125 0.3125-0.0000 ( 12514 PWs) bands (ev): -47.7619 -47.7619 -47.7606 -47.7606 -41.1509 -41.1509 -41.1418 -41.1418 -19.8207 -19.8207 -19.8140 -19.8140 -19.6527 -19.6527 -19.6424 -19.6424 -19.6320 -19.6320 -19.6219 -19.6219 -7.5524 -7.5524 -7.3902 -7.3902 1.1428 1.1428 1.1984 1.1984 1.2049 1.2049 1.4315 1.4315 1.9315 1.9315 2.2760 2.2760 7.2463 7.2463 8.0840 8.0840 8.5963 8.5963 9.4614 9.4614 k = 0.3036 0.3036-0.0000 ( 12507 PWs) bands (ev): -47.7619 -47.7619 -47.7606 -47.7606 -41.1513 -41.1513 -41.1414 -41.1414 -19.8208 -19.8208 -19.8136 -19.8136 -19.6526 -19.6526 -19.6423 -19.6423 -19.6319 -19.6319 -19.6217 -19.6217 -7.5678 -7.5678 -7.3926 -7.3926 1.1629 1.1629 1.2041 1.2041 1.2195 1.2195 1.4219 1.4219 1.9631 1.9631 2.3044 2.3044 7.2795 7.2795 8.1785 8.1785 8.6194 8.6194 9.5497 9.5497 k = 0.2946 0.2946-0.0000 ( 12499 PWs) bands (ev): -47.7620 -47.7620 -47.7605 -47.7605 -41.1517 -41.1517 -41.1410 -41.1410 -19.8210 -19.8210 -19.8132 -19.8132 -19.6525 -19.6525 -19.6423 -19.6423 -19.6317 -19.6317 -19.6215 -19.6215 -7.5834 -7.5834 -7.3952 -7.3952 1.1764 1.1764 1.2123 1.2123 1.2324 1.2324 1.4228 1.4228 1.9959 1.9959 2.3326 2.3326 7.3103 7.3103 8.2698 8.2698 8.6431 8.6431 9.6394 9.6394 k = 0.2857 0.2857-0.0000 ( 12481 PWs) bands (ev): -47.7621 -47.7621 -47.7605 -47.7605 -41.1521 -41.1521 -41.1406 -41.1406 -19.8212 -19.8212 -19.8128 -19.8128 -19.6524 -19.6524 -19.6422 -19.6422 -19.6316 -19.6316 -19.6213 -19.6213 -7.5993 -7.5993 -7.3979 -7.3979 1.1821 1.1821 1.2221 1.2221 1.2430 1.2430 1.4367 1.4367 2.0296 2.0296 2.3605 2.3605 7.3379 7.3379 8.3558 8.3558 8.6672 8.6672 9.7304 9.7304 k = 0.2768 0.2768-0.0000 ( 12485 PWs) bands (ev): -47.7621 -47.7621 -47.7604 -47.7604 -41.1525 -41.1525 -41.1402 -41.1402 -19.8213 -19.8213 -19.8123 -19.8123 -19.6523 -19.6523 -19.6422 -19.6422 -19.6314 -19.6314 -19.6211 -19.6211 -7.6154 -7.6154 -7.4008 -7.4008 1.1840 1.1840 1.2183 1.2183 1.2639 1.2639 1.4625 1.4625 2.0642 2.0642 2.3881 2.3881 7.3614 7.3614 8.4339 8.4339 8.6916 8.6916 9.8227 9.8227 k = 0.2679 0.2679-0.0000 ( 12497 PWs) bands (ev): -47.7622 -47.7622 -47.7604 -47.7604 -41.1530 -41.1530 -41.1399 -41.1399 -19.8215 -19.8215 -19.8119 -19.8119 -19.6522 -19.6522 -19.6422 -19.6422 -19.6312 -19.6312 -19.6209 -19.6209 -7.6316 -7.6316 -7.4038 -7.4038 1.1800 1.1800 1.2116 1.2116 1.2897 1.2897 1.4969 1.4969 2.0996 2.0996 2.4152 2.4152 7.3798 7.3798 8.5010 8.5010 8.7162 8.7162 9.9162 9.9162 k = 0.2589 0.2589-0.0000 ( 12495 PWs) bands (ev): -47.7623 -47.7623 -47.7603 -47.7603 -41.1534 -41.1534 -41.1395 -41.1395 -19.8216 -19.8216 -19.8115 -19.8115 -19.6520 -19.6520 -19.6422 -19.6422 -19.6310 -19.6310 -19.6206 -19.6206 -7.6479 -7.6479 -7.4069 -7.4069 1.1650 1.1650 1.2130 1.2130 1.3172 1.3172 1.5372 1.5372 2.1358 2.1358 2.4418 2.4418 7.3925 7.3925 8.5530 8.5530 8.7409 8.7409 10.0108 10.0108 k = 0.2500 0.2500-0.0000 ( 12521 PWs) bands (ev): -47.7623 -47.7623 -47.7603 -47.7603 -41.1538 -41.1538 -41.1391 -41.1391 -19.8218 -19.8218 -19.8110 -19.8110 -19.6519 -19.6519 -19.6422 -19.6422 -19.6307 -19.6307 -19.6204 -19.6204 -7.6642 -7.6642 -7.4102 -7.4102 1.1432 1.1432 1.2207 1.2207 1.3456 1.3456 1.5817 1.5817 2.1727 2.1727 2.4678 2.4678 7.3987 7.3987 8.5858 8.5858 8.7657 8.7657 10.1006 10.1006 k = 0.2411 0.2411-0.0000 ( 12533 PWs) bands (ev): -47.7624 -47.7624 -47.7603 -47.7603 -41.1543 -41.1543 -41.1387 -41.1387 -19.8219 -19.8219 -19.8105 -19.8105 -19.6518 -19.6518 -19.6423 -19.6423 -19.6305 -19.6305 -19.6202 -19.6202 -7.6805 -7.6805 -7.4136 -7.4136 1.1186 1.1186 1.2320 1.2320 1.3747 1.3747 1.6295 1.6295 2.2101 2.2101 2.4931 2.4931 7.3977 7.3977 8.5954 8.5954 8.7903 8.7903 10.0302 10.0302 k = 0.2321 0.2321-0.0000 ( 12533 PWs) bands (ev): -47.7625 -47.7625 -47.7602 -47.7602 -41.1547 -41.1547 -41.1383 -41.1383 -19.8221 -19.8221 -19.8101 -19.8101 -19.6517 -19.6517 -19.6423 -19.6423 -19.6303 -19.6303 -19.6199 -19.6199 -7.6967 -7.6967 -7.4171 -7.4171 1.0928 1.0928 1.2460 1.2460 1.4043 1.4043 1.6799 1.6799 2.2480 2.2480 2.5177 2.5177 7.3891 7.3891 8.5796 8.5796 8.8146 8.8146 9.9818 9.9818 k = 0.2232 0.2232-0.0000 ( 12537 PWs) bands (ev): -47.7625 -47.7625 -47.7602 -47.7602 -41.1551 -41.1551 -41.1379 -41.1379 -19.8222 -19.8222 -19.8096 -19.8096 -19.6516 -19.6516 -19.6423 -19.6423 -19.6301 -19.6301 -19.6197 -19.6197 -7.7128 -7.7128 -7.4207 -7.4207 1.0665 1.0665 1.2626 1.2626 1.4341 1.4341 1.7326 1.7326 2.2862 2.2862 2.5413 2.5413 7.3726 7.3726 8.5389 8.5389 8.8386 8.8386 9.9551 9.9551 k = 0.2143 0.2143-0.0000 ( 12545 PWs) bands (ev): -47.7626 -47.7626 -47.7601 -47.7601 -41.1556 -41.1556 -41.1375 -41.1375 -19.8224 -19.8224 -19.8092 -19.8092 -19.6515 -19.6515 -19.6423 -19.6423 -19.6300 -19.6300 -19.6194 -19.6194 -7.7287 -7.7287 -7.4244 -7.4244 1.0400 1.0400 1.2815 1.2815 1.4641 1.4641 1.7873 1.7873 2.3247 2.3247 2.5641 2.5641 7.3483 7.3483 8.4761 8.4761 8.8621 8.8621 9.9462 9.9462 k = 0.2054 0.2054-0.0000 ( 12557 PWs) bands (ev): -47.7627 -47.7627 -47.7601 -47.7601 -41.1560 -41.1560 -41.1371 -41.1371 -19.8225 -19.8225 -19.8087 -19.8087 -19.6514 -19.6514 -19.6422 -19.6422 -19.6298 -19.6298 -19.6191 -19.6191 -7.7444 -7.7444 -7.4282 -7.4282 1.0136 1.0136 1.3026 1.3026 1.4942 1.4942 1.8437 1.8437 2.3633 2.3633 2.5857 2.5857 7.3161 7.3161 8.3958 8.3958 8.8850 8.8850 9.9501 9.9501 k = 0.1964 0.1964-0.0000 ( 12557 PWs) bands (ev): -47.7628 -47.7628 -47.7600 -47.7600 -41.1564 -41.1564 -41.1367 -41.1367 -19.8227 -19.8227 -19.8083 -19.8083 -19.6513 -19.6513 -19.6422 -19.6422 -19.6297 -19.6297 -19.6189 -19.6189 -7.7598 -7.7598 -7.4320 -7.4320 0.9875 0.9875 1.3259 1.3259 1.5242 1.5242 1.9017 1.9017 2.4019 2.4019 2.6062 2.6062 7.2766 7.2766 8.3030 8.3030 8.9070 8.9070 9.9616 9.9616 k = 0.1875 0.1875-0.0000 ( 12553 PWs) bands (ev): -47.7628 -47.7628 -47.7600 -47.7600 -41.1568 -41.1568 -41.1364 -41.1364 -19.8228 -19.8228 -19.8078 -19.8078 -19.6513 -19.6513 -19.6421 -19.6421 -19.6296 -19.6296 -19.6186 -19.6186 -7.7749 -7.7749 -7.4358 -7.4358 0.9619 0.9619 1.3512 1.3512 1.5541 1.5541 1.9609 1.9609 2.4403 2.4403 2.6255 2.6255 7.2302 7.2302 8.2018 8.2018 8.9281 8.9281 9.9768 9.9768 k = 0.1786 0.1786-0.0000 ( 12545 PWs) bands (ev): -47.7629 -47.7629 -47.7600 -47.7600 -41.1572 -41.1572 -41.1360 -41.1360 -19.8229 -19.8229 -19.8074 -19.8074 -19.6513 -19.6513 -19.6420 -19.6420 -19.6295 -19.6295 -19.6183 -19.6183 -7.7896 -7.7896 -7.4396 -7.4396 0.9369 0.9369 1.3784 1.3784 1.5838 1.5838 2.0213 2.0213 2.4784 2.4784 2.6435 2.6435 7.1774 7.1774 8.0956 8.0956 8.9481 8.9481 9.9928 9.9928 k = 0.1696 0.1696-0.0000 ( 12537 PWs) bands (ev): -47.7629 -47.7629 -47.7599 -47.7599 -41.1576 -41.1576 -41.1356 -41.1356 -19.8230 -19.8230 -19.8070 -19.8070 -19.6512 -19.6512 -19.6418 -19.6418 -19.6295 -19.6295 -19.6180 -19.6180 -7.8039 -7.8039 -7.4434 -7.4434 0.9127 0.9127 1.4074 1.4074 1.6131 1.6131 2.0827 2.0827 2.5160 2.5160 2.6601 2.6601 7.1192 7.1192 7.9870 7.9870 8.9669 8.9669 10.0079 10.0079 k = 0.1607 0.1607-0.0000 ( 12537 PWs) bands (ev): -47.7630 -47.7630 -47.7599 -47.7599 -41.1579 -41.1579 -41.1353 -41.1353 -19.8232 -19.8232 -19.8065 -19.8065 -19.6512 -19.6512 -19.6417 -19.6417 -19.6295 -19.6295 -19.6176 -19.6176 -7.8178 -7.8178 -7.4472 -7.4472 0.8892 0.8892 1.4381 1.4381 1.6419 1.6419 2.1447 2.1447 2.5529 2.5529 2.6753 2.6753 7.0562 7.0562 7.8779 7.8779 8.9843 8.9843 10.0213 10.0213 k = 0.1518 0.1518-0.0000 ( 12549 PWs) bands (ev): -47.7631 -47.7631 -47.7598 -47.7598 -41.1583 -41.1583 -41.1350 -41.1350 -19.8233 -19.8233 -19.8061 -19.8061 -19.6513 -19.6513 -19.6415 -19.6415 -19.6295 -19.6295 -19.6173 -19.6173 -7.8312 -7.8312 -7.4509 -7.4509 0.8666 0.8666 1.4702 1.4702 1.6700 1.6700 2.2071 2.2071 2.5887 2.5887 2.6892 2.6892 6.9894 6.9894 7.7698 7.7698 9.0002 9.0002 10.0326 10.0326 k = 0.1429 0.1429-0.0000 ( 12563 PWs) bands (ev): -47.7631 -47.7631 -47.7598 -47.7598 -41.1586 -41.1586 -41.1347 -41.1347 -19.8234 -19.8234 -19.8057 -19.8057 -19.6513 -19.6513 -19.6413 -19.6413 -19.6295 -19.6295 -19.6170 -19.6170 -7.8440 -7.8440 -7.4546 -7.4546 0.8449 0.8449 1.5036 1.5036 1.6975 1.6975 2.2697 2.2697 2.6231 2.6231 2.7021 2.7021 6.9195 6.9195 7.6639 7.6639 9.0144 9.0144 10.0419 10.0419 k = 0.1339 0.1339-0.0000 ( 12571 PWs) bands (ev): -47.7632 -47.7632 -47.7598 -47.7598 -41.1590 -41.1590 -41.1344 -41.1344 -19.8235 -19.8235 -19.8054 -19.8054 -19.6513 -19.6513 -19.6411 -19.6411 -19.6295 -19.6295 -19.6167 -19.6167 -7.8562 -7.8562 -7.4581 -7.4581 0.8243 0.8243 1.5381 1.5381 1.7242 1.7242 2.3321 2.3321 2.6549 2.6549 2.7147 2.7147 6.8475 6.8475 7.5610 7.5610 9.0268 9.0268 10.0495 10.0495 k = 0.1250 0.1250-0.0000 ( 12579 PWs) bands (ev): -47.7632 -47.7632 -47.7597 -47.7597 -41.1593 -41.1593 -41.1341 -41.1341 -19.8235 -19.8235 -19.8050 -19.8050 -19.6514 -19.6514 -19.6409 -19.6409 -19.6296 -19.6296 -19.6164 -19.6164 -7.8679 -7.8679 -7.4616 -7.4616 0.8048 0.8048 1.5734 1.5734 1.7498 1.7498 2.3939 2.3939 2.6822 2.6822 2.7290 2.7290 6.7742 6.7742 7.4620 7.4620 9.0375 9.0375 10.0555 10.0555 k = 0.1161 0.1161-0.0000 ( 12567 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1596 -41.1596 -41.1338 -41.1338 -19.8236 -19.8236 -19.8047 -19.8047 -19.6514 -19.6514 -19.6407 -19.6407 -19.6297 -19.6297 -19.6161 -19.6161 -7.8788 -7.8788 -7.4649 -7.4649 0.7864 0.7864 1.6092 1.6092 1.7745 1.7745 2.4548 2.4548 2.7014 2.7014 2.7483 2.7483 6.7006 6.7006 7.3674 7.3674 9.0463 9.0463 10.0604 10.0604 k = 0.1071 0.1071-0.0000 ( 12561 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1599 -41.1599 -41.1335 -41.1335 -19.8237 -19.8237 -19.8043 -19.8043 -19.6515 -19.6515 -19.6404 -19.6404 -19.6298 -19.6298 -19.6159 -19.6159 -7.8891 -7.8891 -7.4680 -7.4680 0.7691 0.7691 1.6452 1.6452 1.7980 1.7980 2.5140 2.5140 2.7124 2.7124 2.7728 2.7728 6.6274 6.6274 7.2779 7.2779 9.0532 9.0532 10.0333 10.0333 k = 0.0982 0.0982-0.0000 ( 12555 PWs) bands (ev): -47.7634 -47.7634 -47.7597 -47.7597 -41.1601 -41.1601 -41.1333 -41.1333 -19.8238 -19.8238 -19.8040 -19.8040 -19.6516 -19.6516 -19.6402 -19.6402 -19.6299 -19.6299 -19.6156 -19.6156 -7.8987 -7.8987 -7.4710 -7.4710 0.7531 0.7531 1.6811 1.6811 1.8202 1.8202 2.5709 2.5709 2.7188 2.7188 2.7991 2.7991 6.5555 6.5555 7.1938 7.1938 9.0583 9.0583 9.9736 9.9736 k = 0.0893 0.0893-0.0000 ( 12563 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1604 -41.1604 -41.1331 -41.1331 -19.8238 -19.8238 -19.8037 -19.8037 -19.6516 -19.6516 -19.6400 -19.6400 -19.6300 -19.6300 -19.6154 -19.6154 -7.9076 -7.9076 -7.4738 -7.4738 0.7384 0.7384 1.7164 1.7164 1.8410 1.8410 2.6239 2.6239 2.7237 2.7237 2.8252 2.8252 6.4858 6.4858 7.1157 7.1157 9.0618 9.0618 9.9183 9.9183 k = 0.0804 0.0804-0.0000 ( 12557 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1606 -41.1606 -41.1329 -41.1329 -19.8239 -19.8239 -19.8035 -19.8035 -19.6517 -19.6517 -19.6397 -19.6397 -19.6301 -19.6301 -19.6151 -19.6151 -7.9157 -7.9157 -7.4764 -7.4764 0.7250 0.7250 1.7507 1.7507 1.8604 1.8604 2.6684 2.6684 2.7320 2.7320 2.8501 2.8501 6.4192 6.4192 7.0438 7.0438 9.0637 9.0637 9.8676 9.8676 k = 0.0714 0.0714-0.0000 ( 12573 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1608 -41.1608 -41.1327 -41.1327 -19.8240 -19.8240 -19.8033 -19.8033 -19.6517 -19.6517 -19.6395 -19.6395 -19.6302 -19.6302 -19.6149 -19.6149 -7.9230 -7.9230 -7.4787 -7.4787 0.7129 0.7129 1.7835 1.7835 1.8784 1.8784 2.6928 2.6928 2.7551 2.7551 2.8734 2.8734 6.3564 6.3564 6.9786 6.9786 9.0643 9.0643 9.8217 9.8217 k = 0.0625 0.0625-0.0000 ( 12575 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1610 -41.1610 -41.1325 -41.1325 -19.8240 -19.8240 -19.8030 -19.8030 -19.6518 -19.6518 -19.6393 -19.6393 -19.6303 -19.6303 -19.6147 -19.6147 -7.9295 -7.9295 -7.4808 -7.4808 0.7022 0.7022 1.8141 1.8141 1.8949 1.8949 2.6983 2.6983 2.7918 2.7918 2.8949 2.8949 6.2984 6.2984 6.9203 6.9203 9.0639 9.0639 9.7808 9.7808 k = 0.0536 0.0536-0.0000 ( 12577 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1611 -41.1611 -41.1324 -41.1324 -19.8240 -19.8240 -19.8029 -19.8029 -19.6518 -19.6518 -19.6391 -19.6391 -19.6304 -19.6304 -19.6146 -19.6146 -7.9352 -7.9352 -7.4827 -7.4827 0.6928 0.6928 1.8419 1.8419 1.9100 1.9100 2.6970 2.6970 2.8292 2.8292 2.9146 2.9146 6.2459 6.2459 6.8693 6.8693 9.0627 9.0627 9.7449 9.7449 k = 0.0446 0.0446-0.0000 ( 12583 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1612 -41.1612 -41.1323 -41.1323 -19.8241 -19.8241 -19.8027 -19.8027 -19.6519 -19.6519 -19.6389 -19.6389 -19.6305 -19.6305 -19.6144 -19.6144 -7.9400 -7.9400 -7.4843 -7.4843 0.6848 0.6848 1.8662 1.8662 1.9237 1.9237 2.6934 2.6934 2.8626 2.8626 2.9325 2.9325 6.1999 6.1999 6.8256 6.8256 9.0610 9.0610 9.7143 9.7143 k = 0.0357 0.0357-0.0000 ( 12595 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1614 -41.1614 -41.1322 -41.1322 -19.8241 -19.8241 -19.8026 -19.8026 -19.6519 -19.6519 -19.6388 -19.6388 -19.6306 -19.6306 -19.6143 -19.6143 -7.9440 -7.9440 -7.4856 -7.4856 0.6783 0.6783 1.8861 1.8861 1.9361 1.9361 2.6892 2.6892 2.8900 2.8900 2.9486 2.9486 6.1610 6.1610 6.7897 6.7897 9.0592 9.0592 9.6891 9.6891 k = 0.0268 0.0268-0.0000 ( 12595 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1614 -41.1614 -41.1321 -41.1321 -19.8241 -19.8241 -19.8025 -19.8025 -19.6520 -19.6520 -19.6387 -19.6387 -19.6307 -19.6307 -19.6142 -19.6142 -7.9471 -7.9471 -7.4866 -7.4866 0.6732 0.6732 1.9012 1.9012 1.9469 1.9469 2.6851 2.6851 2.9106 2.9106 2.9629 2.9629 6.1300 6.1300 6.7615 6.7615 9.0575 9.0575 9.6694 9.6694 k = 0.0179 0.0179-0.0000 ( 12583 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6386 -19.6386 -19.6307 -19.6307 -19.6141 -19.6141 -7.9493 -7.9493 -7.4874 -7.4874 0.6696 0.6696 1.9116 1.9116 1.9556 1.9556 2.6818 2.6818 2.9245 2.9245 2.9743 2.9743 6.1073 6.1073 6.7413 6.7413 9.0560 9.0560 9.6552 9.6552 k = 0.0089 0.0089-0.0000 ( 12583 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9506 -7.9506 -7.4878 -7.4878 0.6674 0.6674 1.9176 1.9176 1.9613 1.9613 2.6796 2.6796 2.9324 2.9324 2.9819 2.9819 6.0936 6.0936 6.7292 6.7292 9.0551 9.0551 9.6467 9.6467 k = 0.0000 0.0000 0.0000 ( 12567 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8023 -19.8023 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9511 -7.9511 -7.4880 -7.4880 0.6667 0.6667 1.9195 1.9195 1.9633 1.9633 2.6788 2.6788 2.9350 2.9350 2.9845 2.9845 6.0890 6.0890 6.7251 6.7251 9.0548 9.0548 9.6439 9.6439 k = 0.0000 0.0000 0.0000 ( 12567 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8023 -19.8023 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9511 -7.9511 -7.4880 -7.4880 0.6667 0.6667 1.9195 1.9195 1.9633 1.9633 2.6788 2.6788 2.9350 2.9350 2.9845 2.9845 6.0890 6.0890 6.7251 6.7251 9.0548 9.0548 9.6439 9.6439 k = 0.0000 0.0000 0.0124 ( 12575 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1616 -41.1616 -41.1320 -41.1320 -19.8241 -19.8241 -19.8023 -19.8023 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9507 -7.9507 -7.4884 -7.4884 0.6680 0.6680 1.9198 1.9198 1.9636 1.9636 2.6753 2.6753 2.9344 2.9344 2.9840 2.9840 6.0938 6.0938 6.7263 6.7263 9.0529 9.0529 9.6463 9.6463 k = 0.0000 0.0000 0.0248 ( 12583 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8023 -19.8023 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9496 -7.9496 -7.4896 -7.4896 0.6720 0.6720 1.9207 1.9207 1.9645 1.9645 2.6647 2.6647 2.9326 2.9326 2.9824 2.9824 6.1081 6.1081 6.7300 6.7300 9.0474 9.0474 9.6534 9.6534 k = 0.0000 0.0000 0.0372 ( 12603 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9479 -7.9479 -7.4916 -7.4916 0.6786 0.6786 1.9221 1.9221 1.9659 1.9659 2.6473 2.6473 2.9297 2.9297 2.9798 2.9798 6.1317 6.1317 6.7362 6.7362 9.0385 9.0385 9.6650 9.6650 k = 0.0000 0.0000 0.0496 ( 12603 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9454 -7.9454 -7.4943 -7.4943 0.6878 0.6878 1.9241 1.9241 1.9680 1.9680 2.6234 2.6234 2.9258 2.9258 2.9763 2.9763 6.1642 6.1642 6.7448 6.7448 9.0268 9.0268 9.6804 9.6804 k = 0.0000 0.0000 0.0620 ( 12603 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9423 -7.9423 -7.4978 -7.4978 0.6997 0.6997 1.9267 1.9267 1.9706 1.9706 2.5933 2.5933 2.9209 2.9209 2.9718 2.9718 6.2051 6.2051 6.7557 6.7557 9.0127 9.0127 9.6991 9.6991 k = 0.0000 0.0000 0.0744 ( 12575 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9385 -7.9385 -7.5021 -7.5021 0.7141 0.7141 1.9298 1.9298 1.9736 1.9736 2.5575 2.5575 2.9152 2.9152 2.9665 2.9665 6.2539 6.2539 6.7691 6.7691 8.9969 8.9969 9.7204 9.7204 k = 0.0000 0.0000 0.0868 ( 12575 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6520 -19.6520 -19.6385 -19.6385 -19.6308 -19.6308 -19.6141 -19.6141 -7.9341 -7.9341 -7.5070 -7.5070 0.7312 0.7312 1.9333 1.9333 1.9772 1.9772 2.5166 2.5166 2.9087 2.9087 2.9604 2.9604 6.3097 6.3097 6.7847 6.7847 8.9799 8.9799 9.7438 9.7438 k = 0.0000 0.0000 0.0992 ( 12567 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6519 -19.6519 -19.6385 -19.6385 -19.6309 -19.6309 -19.6141 -19.6141 -7.9291 -7.9291 -7.5126 -7.5126 0.7508 0.7508 1.9373 1.9373 1.9812 1.9812 2.4710 2.4710 2.9015 2.9015 2.9535 2.9535 6.3719 6.3719 6.8028 6.8028 8.9621 8.9621 9.7687 9.7687 k = 0.0000 0.0000 0.1116 ( 12588 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6519 -19.6519 -19.6385 -19.6385 -19.6309 -19.6309 -19.6141 -19.6141 -7.9235 -7.9235 -7.5188 -7.5188 0.7730 0.7730 1.9417 1.9417 1.9856 1.9856 2.4215 2.4215 2.8938 2.8938 2.9461 2.9461 6.4394 6.4394 6.8235 6.8235 8.9439 8.9439 9.7946 9.7946 k = 0.0000 0.0000 0.1240 ( 12596 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6519 -19.6519 -19.6385 -19.6385 -19.6309 -19.6309 -19.6141 -19.6141 -7.9173 -7.9173 -7.5256 -7.5256 0.7977 0.7977 1.9463 1.9463 1.9904 1.9904 2.3686 2.3686 2.8856 2.8856 2.9381 2.9381 6.5110 6.5110 6.8473 6.8473 8.9257 8.9257 9.8211 9.8211 k = 0.0000 0.0000 0.1364 ( 12584 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8024 -19.8024 -19.6519 -19.6519 -19.6385 -19.6385 -19.6309 -19.6309 -19.6141 -19.6141 -7.9107 -7.9107 -7.5329 -7.5329 0.8249 0.8249 1.9513 1.9513 1.9954 1.9954 2.3127 2.3127 2.8770 2.8770 2.9297 2.9297 6.5850 6.5850 6.8751 6.8751 8.9078 8.9078 9.8477 9.8477 k = 0.0000 0.0000 0.1488 ( 12556 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8025 -19.8025 -19.6519 -19.6519 -19.6385 -19.6385 -19.6309 -19.6309 -19.6141 -19.6141 -7.9036 -7.9036 -7.5407 -7.5407 0.8546 0.8546 1.9564 1.9564 2.0006 2.0006 2.2546 2.2546 2.8682 2.8682 2.9210 2.9210 6.6586 6.6586 6.9087 6.9087 8.8903 8.8903 9.8740 9.8740 k = 0.0000 0.0000 0.1612 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8025 -19.8025 -19.6519 -19.6519 -19.6385 -19.6385 -19.6310 -19.6310 -19.6141 -19.6141 -7.8962 -7.8962 -7.5489 -7.5489 0.8867 0.8867 1.9616 1.9616 2.0060 2.0060 2.1946 2.1946 2.8593 2.8593 2.9122 2.9122 6.7276 6.7276 6.9517 6.9517 8.8736 8.8736 9.8998 9.8998 k = 0.0000 0.0000 0.1736 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8241 -19.8241 -19.8025 -19.8025 -19.6519 -19.6519 -19.6385 -19.6385 -19.6310 -19.6310 -19.6141 -19.6141 -7.8884 -7.8884 -7.5573 -7.5573 0.9211 0.9211 1.9667 1.9667 2.0114 2.0114 2.1333 2.1333 2.8503 2.8503 2.9034 2.9034 6.7873 6.7873 7.0079 7.0079 8.8577 8.8577 9.7985 9.7985 k = 0.0000 0.0000 0.1860 ( 12544 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8025 -19.8025 -19.6519 -19.6519 -19.6385 -19.6385 -19.6310 -19.6310 -19.6141 -19.6141 -7.8805 -7.8805 -7.5659 -7.5659 0.9579 0.9579 1.9713 1.9713 2.0168 2.0168 2.0714 2.0714 2.8416 2.8416 2.8947 2.8947 6.8349 6.8349 7.0795 7.0795 8.8428 8.8428 9.6624 9.6624 k = 0.0000 0.0000 0.1984 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8025 -19.8025 -19.6518 -19.6518 -19.6385 -19.6385 -19.6310 -19.6310 -19.6141 -19.6141 -7.8724 -7.8724 -7.5747 -7.5747 0.9969 0.9969 1.9730 1.9730 2.0116 2.0116 2.0220 2.0220 2.8331 2.8331 2.8862 2.8862 6.8718 6.8718 7.1639 7.1639 8.8291 8.8291 9.5265 9.5265 k = 0.0000 0.0000 0.2108 ( 12560 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8025 -19.8025 -19.6518 -19.6518 -19.6385 -19.6385 -19.6311 -19.6311 -19.6141 -19.6141 -7.8643 -7.8643 -7.5833 -7.5833 1.0381 1.0381 1.9386 1.9386 1.9874 1.9874 2.0270 2.0270 2.8250 2.8250 2.8782 2.8782 6.9013 6.9013 7.2574 7.2574 8.8166 8.8166 9.3915 9.3915 k = 0.0000 0.0000 0.2232 ( 12556 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8025 -19.8025 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6141 -19.6141 -7.8564 -7.8564 -7.5918 -7.5918 1.0814 1.0814 1.8773 1.8773 1.9898 1.9898 2.0318 2.0318 2.8175 2.8175 2.8707 2.8707 6.9255 6.9255 7.3566 7.3566 8.8054 8.8054 9.2581 9.2581 k = 0.0000 0.0000 0.2355 ( 12556 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6141 -19.6141 -7.8489 -7.8489 -7.5999 -7.5999 1.1267 1.1267 1.8146 1.8146 1.9935 1.9935 2.0361 2.0361 2.8107 2.8107 2.8639 2.8639 6.9457 6.9457 7.4592 7.4592 8.7955 8.7955 9.1273 9.1273 k = 0.0000 0.0000 0.2479 ( 12568 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6141 -19.6141 -7.8418 -7.8418 -7.6074 -7.6074 1.1739 1.1739 1.7522 1.7522 1.9971 1.9971 2.0399 2.0399 2.8047 2.8047 2.8579 2.8579 6.9627 6.9627 7.5630 7.5630 8.7871 8.7871 9.0002 9.0002 k = 0.0000 0.0000 0.2603 ( 12556 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6141 -19.6141 -7.8355 -7.8355 -7.6141 -7.6141 1.2228 1.2228 1.6906 1.6906 2.0002 2.0002 2.0432 2.0432 2.7996 2.7996 2.8528 2.8528 6.9765 6.9765 7.6657 7.6657 8.7801 8.7801 8.8789 8.8789 k = 0.0000 0.0000 0.2727 ( 12560 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6142 -19.6142 -7.8302 -7.8302 -7.6197 -7.6197 1.2729 1.2729 1.6304 1.6304 2.0027 2.0027 2.0458 2.0458 2.7955 2.7955 2.8487 2.8487 6.9873 6.9873 7.7637 7.7637 8.7666 8.7666 8.7747 8.7747 k = 0.0000 0.0000 0.2851 ( 12560 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6142 -19.6142 -7.8262 -7.8262 -7.6239 -7.6239 1.3233 1.3233 1.5728 1.5728 2.0046 2.0046 2.0477 2.0477 2.7926 2.7926 2.8458 2.8458 6.9950 6.9950 7.8506 7.8506 8.6696 8.6696 8.7708 8.7708 k = 0.0000 0.0000 0.2975 ( 12564 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6142 -19.6142 -7.8236 -7.8236 -7.6266 -7.6266 1.3706 1.3706 1.5211 1.5211 2.0057 2.0057 2.0489 2.0489 2.7908 2.7908 2.8440 2.8440 6.9997 6.9997 7.9146 7.9146 8.5995 8.5995 8.7684 8.7684 k = 0.0000 0.0000 0.3099 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6142 -19.6142 -7.8228 -7.8228 -7.6275 -7.6275 1.3966 1.3966 1.4936 1.4936 2.0061 2.0061 2.0493 2.0493 2.7901 2.7901 2.8434 2.8434 7.0012 7.0012 7.9392 7.9392 8.5729 8.5729 8.7677 8.7677 k = 0.0000 0.0000 0.3099 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6142 -19.6142 -7.8228 -7.8228 -7.6275 -7.6275 1.3966 1.3966 1.4936 1.4936 2.0061 2.0061 2.0493 2.0493 2.7901 2.7901 2.8434 2.8434 7.0012 7.0012 7.9392 7.9392 8.5729 8.5729 8.7677 8.7677 k = 0.0000 0.0125 0.3099 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6385 -19.6385 -19.6311 -19.6311 -19.6142 -19.6142 -7.8224 -7.8224 -7.6273 -7.6273 1.3962 1.3962 1.4891 1.4891 2.0077 2.0077 2.0508 2.0508 2.7885 2.7885 2.8418 2.8418 7.0045 7.0045 7.9429 7.9429 8.5698 8.5698 8.7704 8.7704 k = 0.0000 0.0250 0.3099 ( 12548 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6385 -19.6385 -19.6311 -19.6311 -19.6142 -19.6142 -7.8213 -7.8213 -7.6265 -7.6265 1.3951 1.3951 1.4758 1.4758 2.0122 2.0122 2.0553 2.0553 2.7829 2.7829 2.8376 2.8376 7.0142 7.0142 7.9538 7.9538 8.5606 8.5606 8.7787 8.7787 k = 0.0000 0.0375 0.3099 ( 12558 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1614 -41.1614 -41.1321 -41.1321 -19.8240 -19.8240 -19.8027 -19.8027 -19.6517 -19.6517 -19.6386 -19.6386 -19.6310 -19.6310 -19.6143 -19.6143 -7.8196 -7.8196 -7.6252 -7.6252 1.3930 1.3930 1.4546 1.4546 2.0185 2.0185 2.0631 2.0631 2.7719 2.7719 2.8327 2.8327 7.0303 7.0303 7.9716 7.9716 8.5456 8.5456 8.7927 8.7927 k = 0.0000 0.0500 0.3099 ( 12566 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1613 -41.1613 -41.1322 -41.1322 -19.8239 -19.8239 -19.8028 -19.8028 -19.6517 -19.6517 -19.6387 -19.6387 -19.6309 -19.6309 -19.6144 -19.6144 -7.8171 -7.8171 -7.6234 -7.6234 1.3898 1.3898 1.4266 1.4266 2.0258 2.0258 2.0742 2.0742 2.7543 2.7543 2.8285 2.8285 7.0524 7.0524 7.9954 7.9954 8.5253 8.5253 8.8127 8.8127 k = 0.0000 0.0625 0.3099 ( 12562 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1612 -41.1612 -41.1323 -41.1323 -19.8239 -19.8239 -19.8029 -19.8029 -19.6517 -19.6517 -19.6389 -19.6389 -19.6308 -19.6308 -19.6145 -19.6145 -7.8139 -7.8139 -7.6211 -7.6211 1.3826 1.3826 1.3959 1.3959 2.0334 2.0334 2.0883 2.0883 2.7299 2.7299 2.8258 2.8258 7.0802 7.0802 8.0243 8.0243 8.5002 8.5002 8.8392 8.8392 k = 0.0000 0.0750 0.3099 ( 12570 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1611 -41.1611 -41.1324 -41.1324 -19.8239 -19.8239 -19.8031 -19.8031 -19.6516 -19.6516 -19.6391 -19.6391 -19.6307 -19.6307 -19.6146 -19.6146 -7.8100 -7.8100 -7.6184 -7.6184 1.3509 1.3509 1.3835 1.3835 2.0415 2.0415 2.1045 2.1045 2.6998 2.6998 2.8243 2.8243 7.1132 7.1132 8.0570 8.0570 8.4712 8.4712 8.8726 8.8726 k = 0.0000 0.0875 0.3099 ( 12566 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1610 -41.1610 -41.1325 -41.1325 -19.8239 -19.8239 -19.8033 -19.8033 -19.6516 -19.6516 -19.6393 -19.6393 -19.6306 -19.6306 -19.6148 -19.6148 -7.8055 -7.8055 -7.6152 -7.6152 1.3085 1.3085 1.3765 1.3765 2.0500 2.0500 2.1220 2.1220 2.6649 2.6649 2.8235 2.8235 7.1510 7.1510 8.0922 8.0922 8.4390 8.4390 8.9133 8.9133 k = 0.0000 0.1000 0.3099 ( 12564 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1608 -41.1608 -41.1327 -41.1327 -19.8238 -19.8238 -19.8035 -19.8035 -19.6515 -19.6515 -19.6395 -19.6395 -19.6304 -19.6304 -19.6150 -19.6150 -7.8003 -7.8003 -7.6116 -7.6116 1.2625 1.2625 1.3685 1.3685 2.0592 2.0592 2.1403 2.1403 2.6265 2.6265 2.8232 2.8232 7.1927 7.1927 8.1287 8.1287 8.4046 8.4046 8.9617 8.9617 k = 0.0000 0.1125 0.3099 ( 12578 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1606 -41.1606 -41.1329 -41.1329 -19.8238 -19.8238 -19.8037 -19.8037 -19.6515 -19.6515 -19.6398 -19.6398 -19.6303 -19.6303 -19.6152 -19.6152 -7.7945 -7.7945 -7.6075 -7.6075 1.2138 1.2138 1.3587 1.3587 2.0692 2.0692 2.1587 2.1587 2.5855 2.5855 2.8231 2.8231 7.2378 7.2378 8.1650 8.1650 8.3690 8.3690 9.0181 9.0181 k = 0.0000 0.1250 0.3099 ( 12558 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1604 -41.1604 -41.1331 -41.1331 -19.8237 -19.8237 -19.8040 -19.8040 -19.6514 -19.6514 -19.6400 -19.6400 -19.6301 -19.6301 -19.6154 -19.6154 -7.7881 -7.7881 -7.6031 -7.6031 1.1631 1.1631 1.3468 1.3468 2.0800 2.0800 2.1771 2.1771 2.5431 2.5431 2.8233 2.8233 7.2851 7.2851 8.2002 8.2002 8.3332 8.3332 9.0824 9.0824 k = 0.0000 0.1375 0.3099 ( 12566 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1601 -41.1601 -41.1333 -41.1333 -19.8236 -19.8236 -19.8042 -19.8042 -19.6513 -19.6513 -19.6403 -19.6403 -19.6300 -19.6300 -19.6156 -19.6156 -7.7811 -7.7811 -7.5984 -7.5984 1.1110 1.1110 1.3324 1.3324 2.0917 2.0917 2.1951 2.1951 2.5001 2.5001 2.8235 2.8235 7.3337 7.3337 8.2332 8.2332 8.2986 8.2986 9.1543 9.1543 k = 0.0000 0.1500 0.3099 ( 12554 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1599 -41.1599 -41.1335 -41.1335 -19.8236 -19.8236 -19.8046 -19.8046 -19.6513 -19.6513 -19.6406 -19.6406 -19.6298 -19.6298 -19.6159 -19.6159 -7.7736 -7.7736 -7.5933 -7.5933 1.0578 1.0578 1.3153 1.3153 2.1042 2.1042 2.2126 2.2126 2.4577 2.4577 2.8236 2.8236 7.3823 7.3823 8.2608 8.2608 8.2692 8.2692 9.2331 9.2331 k = 0.0000 0.1625 0.3099 ( 12546 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1596 -41.1596 -41.1338 -41.1338 -19.8235 -19.8235 -19.8049 -19.8049 -19.6512 -19.6512 -19.6409 -19.6409 -19.6297 -19.6297 -19.6162 -19.6162 -7.7655 -7.7655 -7.5880 -7.5880 1.0041 1.0041 1.2949 1.2949 2.1176 2.1176 2.2294 2.2294 2.4166 2.4166 2.8238 2.8238 7.4293 7.4293 8.2375 8.2375 8.2915 8.2915 9.3178 9.3178 k = 0.0000 0.1750 0.3099 ( 12542 PWs) bands (ev): -47.7632 -47.7632 -47.7598 -47.7598 -41.1593 -41.1593 -41.1341 -41.1341 -19.8234 -19.8234 -19.8052 -19.8052 -19.6511 -19.6511 -19.6411 -19.6411 -19.6295 -19.6295 -19.6165 -19.6165 -7.7570 -7.7570 -7.5824 -7.5824 0.9501 0.9501 1.2712 1.2712 2.1317 2.1317 2.2455 2.2455 2.3779 2.3779 2.8238 2.8238 7.4729 7.4729 8.2153 8.2153 8.3153 8.3153 9.4074 9.4074 k = 0.0000 0.1875 0.3099 ( 12542 PWs) bands (ev): -47.7632 -47.7632 -47.7598 -47.7598 -41.1589 -41.1589 -41.1344 -41.1344 -19.8233 -19.8233 -19.8056 -19.8056 -19.6510 -19.6510 -19.6414 -19.6414 -19.6294 -19.6294 -19.6168 -19.6168 -7.7480 -7.7480 -7.5767 -7.5767 0.8962 0.8962 1.2439 1.2439 2.1466 2.1466 2.2608 2.2608 2.3422 2.3422 2.8236 2.8236 7.5111 7.5111 8.2009 8.2009 8.3356 8.3356 9.5005 9.5005 k = 0.0000 0.2000 0.3099 ( 12544 PWs) bands (ev): -47.7631 -47.7631 -47.7598 -47.7598 -41.1586 -41.1586 -41.1347 -41.1347 -19.8232 -19.8232 -19.8060 -19.8060 -19.6509 -19.6509 -19.6417 -19.6417 -19.6292 -19.6292 -19.6171 -19.6171 -7.7386 -7.7386 -7.5708 -7.5708 0.8427 0.8427 1.2127 1.2127 2.1621 2.1621 2.2745 2.2745 2.3109 2.3109 2.8232 2.8232 7.5417 7.5417 8.1965 8.1965 8.3521 8.3521 9.5956 9.5956 k = 0.0000 0.2125 0.3099 ( 12544 PWs) bands (ev): -47.7630 -47.7630 -47.7599 -47.7599 -41.1582 -41.1582 -41.1350 -41.1350 -19.8231 -19.8231 -19.8064 -19.8064 -19.6508 -19.6508 -19.6420 -19.6420 -19.6291 -19.6291 -19.6174 -19.6174 -7.7288 -7.7288 -7.5649 -7.5649 0.7901 0.7901 1.1779 1.1779 2.1781 2.1781 2.2766 2.2766 2.2945 2.2945 2.8226 2.8226 7.5632 7.5632 8.2036 8.2036 8.3647 8.3647 9.6911 9.6911 k = 0.0000 0.2250 0.3099 ( 12524 PWs) bands (ev): -47.7630 -47.7630 -47.7599 -47.7599 -41.1579 -41.1579 -41.1354 -41.1354 -19.8230 -19.8230 -19.8068 -19.8068 -19.6507 -19.6507 -19.6423 -19.6423 -19.6289 -19.6289 -19.6177 -19.6177 -7.7187 -7.7187 -7.5589 -7.5589 0.7384 0.7384 1.1395 1.1395 2.1940 2.1940 2.2563 2.2563 2.3044 2.3044 2.8216 2.8216 7.5751 7.5751 8.2228 8.2228 8.3732 8.3732 9.7853 9.7853 k = 0.0000 0.2375 0.3099 ( 12526 PWs) bands (ev): -47.7629 -47.7629 -47.7600 -47.7600 -41.1575 -41.1575 -41.1358 -41.1358 -19.8228 -19.8228 -19.8072 -19.8072 -19.6506 -19.6506 -19.6426 -19.6426 -19.6288 -19.6288 -19.6180 -19.6180 -7.7083 -7.7083 -7.5529 -7.5529 0.6881 0.6881 1.0978 1.0978 2.2075 2.2075 2.2406 2.2406 2.3161 2.3161 2.8202 2.8202 7.5781 7.5781 8.2533 8.2533 8.3772 8.3772 9.8760 9.8760 k = 0.0000 0.2500 0.3099 ( 12518 PWs) bands (ev): -47.7629 -47.7629 -47.7600 -47.7600 -41.1571 -41.1571 -41.1362 -41.1362 -19.8227 -19.8227 -19.8077 -19.8077 -19.6505 -19.6505 -19.6429 -19.6429 -19.6286 -19.6286 -19.6184 -19.6184 -7.6977 -7.6977 -7.5469 -7.5469 0.6393 0.6393 1.0532 1.0532 2.2089 2.2089 2.2414 2.2414 2.3272 2.3272 2.8184 2.8184 7.5739 7.5739 8.2934 8.2934 8.3766 8.3766 9.9600 9.9600 k = 0.0000 0.2625 0.3099 ( 12512 PWs) bands (ev): -47.7628 -47.7628 -47.7600 -47.7600 -41.1566 -41.1566 -41.1366 -41.1366 -19.8226 -19.8226 -19.8081 -19.8081 -19.6504 -19.6504 -19.6431 -19.6431 -19.6285 -19.6285 -19.6187 -19.6187 -7.6869 -7.6869 -7.5411 -7.5411 0.5923 0.5923 1.0063 1.0063 2.2006 2.2006 2.2562 2.2562 2.3375 2.3375 2.8162 2.8162 7.5647 7.5647 8.3408 8.3408 8.3714 8.3714 10.0316 10.0316 k = 0.0000 0.2750 0.3099 ( 12516 PWs) bands (ev): -47.7627 -47.7627 -47.7601 -47.7601 -41.1562 -41.1562 -41.1370 -41.1370 -19.8224 -19.8224 -19.8086 -19.8086 -19.6503 -19.6503 -19.6434 -19.6434 -19.6283 -19.6283 -19.6191 -19.6191 -7.6759 -7.6759 -7.5355 -7.5355 0.5473 0.5473 0.9574 0.9574 2.1930 2.1930 2.2742 2.2742 2.3469 2.3469 2.8134 2.8134 7.5524 7.5524 8.3600 8.3600 8.3951 8.3951 10.0787 10.0787 k = 0.0000 0.2875 0.3099 ( 12518 PWs) bands (ev): -47.7627 -47.7627 -47.7601 -47.7601 -41.1557 -41.1557 -41.1374 -41.1374 -19.8222 -19.8222 -19.8091 -19.8091 -19.6502 -19.6502 -19.6437 -19.6437 -19.6282 -19.6282 -19.6194 -19.6194 -7.6648 -7.6648 -7.5300 -7.5300 0.5045 0.5045 0.9072 0.9072 2.1879 2.1879 2.2932 2.2932 2.3555 2.3555 2.8101 2.8101 7.5386 7.5386 8.3446 8.3446 8.4522 8.4522 10.0879 10.0879 k = 0.0000 0.3000 0.3099 ( 12526 PWs) bands (ev): -47.7626 -47.7626 -47.7602 -47.7602 -41.1552 -41.1552 -41.1379 -41.1379 -19.8220 -19.8220 -19.8095 -19.8095 -19.6501 -19.6501 -19.6440 -19.6440 -19.6280 -19.6280 -19.6198 -19.6198 -7.6537 -7.6537 -7.5249 -7.5249 0.4641 0.4641 0.8563 0.8563 2.1856 2.1856 2.3125 2.3125 2.3634 2.3634 2.8062 2.8062 7.5247 7.5247 8.3239 8.3239 8.5123 8.5123 10.0665 10.0665 k = 0.0000 0.3125 0.3099 ( 12534 PWs) bands (ev): -47.7625 -47.7625 -47.7603 -47.7603 -41.1548 -41.1548 -41.1383 -41.1383 -19.8218 -19.8218 -19.8100 -19.8100 -19.6500 -19.6500 -19.6442 -19.6442 -19.6279 -19.6279 -19.6201 -19.6201 -7.6427 -7.6427 -7.5200 -7.5200 0.4263 0.4263 0.8050 0.8050 2.1857 2.1857 2.3314 2.3314 2.3709 2.3709 2.8016 2.8016 7.5118 7.5118 8.2982 8.2982 8.5742 8.5742 10.0328 10.0328 k = 0.0000 0.3250 0.3099 ( 12538 PWs) bands (ev): -47.7624 -47.7624 -47.7603 -47.7603 -41.1543 -41.1543 -41.1388 -41.1388 -19.8216 -19.8216 -19.8105 -19.8105 -19.6499 -19.6499 -19.6445 -19.6445 -19.6277 -19.6277 -19.6204 -19.6204 -7.6317 -7.6317 -7.5156 -7.5156 0.3913 0.3913 0.7541 0.7541 2.1880 2.1880 2.3489 2.3489 2.3790 2.3790 2.7964 2.7964 7.5004 7.5004 8.2679 8.2679 8.6373 8.6373 9.9962 9.9962 k = 0.0000 0.3375 0.3099 ( 12534 PWs) bands (ev): -47.7624 -47.7624 -47.7604 -47.7604 -41.1538 -41.1538 -41.1393 -41.1393 -19.8214 -19.8214 -19.8110 -19.8110 -19.6498 -19.6498 -19.6447 -19.6447 -19.6276 -19.6276 -19.6208 -19.6208 -7.6208 -7.6208 -7.5115 -7.5115 0.3591 0.3591 0.7037 0.7037 2.1922 2.1922 2.3623 2.3623 2.3903 2.3903 2.7904 2.7904 7.4913 7.4913 8.2333 8.2333 8.7010 8.7010 9.9601 9.9601 k = 0.0000 0.3500 0.3099 ( 12540 PWs) bands (ev): -47.7623 -47.7623 -47.7604 -47.7604 -41.1532 -41.1532 -41.1398 -41.1398 -19.8212 -19.8212 -19.8115 -19.8115 -19.6497 -19.6497 -19.6450 -19.6450 -19.6274 -19.6274 -19.6211 -19.6211 -7.6101 -7.6101 -7.5079 -7.5079 0.3300 0.3300 0.6545 0.6545 2.1981 2.1981 2.3699 2.3699 2.4064 2.4064 2.7836 2.7836 7.4848 7.4848 8.1950 8.1950 8.7650 8.7650 9.9254 9.9254 k = 0.0000 0.3625 0.3099 ( 12532 PWs) bands (ev): -47.7622 -47.7622 -47.7605 -47.7605 -41.1527 -41.1527 -41.1403 -41.1403 -19.8209 -19.8209 -19.8120 -19.8120 -19.6495 -19.6495 -19.6453 -19.6453 -19.6272 -19.6272 -19.6215 -19.6215 -7.5996 -7.5996 -7.5049 -7.5049 0.3040 0.3040 0.6067 0.6067 2.2054 2.2054 2.3735 2.3735 2.4253 2.4253 2.7761 2.7761 7.4813 7.4813 8.1536 8.1536 8.8288 8.8288 9.8919 9.8919 k = 0.0000 0.3750 0.3099 ( 12544 PWs) bands (ev): -47.7621 -47.7621 -47.7606 -47.7606 -41.1522 -41.1522 -41.1409 -41.1409 -19.8206 -19.8206 -19.8125 -19.8125 -19.6494 -19.6494 -19.6455 -19.6455 -19.6270 -19.6270 -19.6218 -19.6218 -7.5894 -7.5894 -7.5024 -7.5024 0.2813 0.2813 0.5608 0.5608 2.2138 2.2138 2.3749 2.3749 2.4454 2.4454 2.7678 2.7678 7.4809 7.4809 8.1098 8.1098 8.8923 8.8923 9.8593 9.8593 k = 0.0000 0.3875 0.3099 ( 12540 PWs) bands (ev): -47.7620 -47.7620 -47.7606 -47.7606 -41.1516 -41.1516 -41.1414 -41.1414 -19.8203 -19.8203 -19.8130 -19.8130 -19.6493 -19.6493 -19.6457 -19.6457 -19.6268 -19.6268 -19.6221 -19.6221 -7.5796 -7.5796 -7.5004 -7.5004 0.2620 0.2620 0.5168 0.5168 2.2232 2.2232 2.3745 2.3745 2.4658 2.4658 2.7586 2.7586 7.4840 7.4840 8.0642 8.0642 8.9552 8.9552 9.8269 9.8269 k = 0.0000 0.4000 0.3099 ( 12542 PWs) bands (ev): -47.7620 -47.7620 -47.7607 -47.7607 -41.1511 -41.1511 -41.1419 -41.1419 -19.8201 -19.8201 -19.8135 -19.8135 -19.6491 -19.6491 -19.6460 -19.6460 -19.6267 -19.6267 -19.6224 -19.6224 -7.5701 -7.5701 -7.4991 -7.4991 0.2461 0.2461 0.4752 0.4752 2.2333 2.2333 2.3728 2.3728 2.4863 2.4863 2.7486 2.7486 7.4905 7.4905 8.0176 8.0176 9.0174 9.0174 9.7941 9.7941 k = 0.0000 0.4125 0.3099 ( 12550 PWs) bands (ev): -47.7619 -47.7619 -47.7608 -47.7608 -41.1505 -41.1505 -41.1425 -41.1425 -19.8197 -19.8197 -19.8140 -19.8140 -19.6490 -19.6490 -19.6462 -19.6462 -19.6264 -19.6264 -19.6227 -19.6227 -7.5611 -7.5611 -7.4985 -7.4985 0.2338 0.2338 0.4362 0.4362 2.2440 2.2440 2.3698 2.3698 2.5067 2.5067 2.7378 2.7378 7.5007 7.5007 7.9704 7.9704 9.0787 9.0787 9.7602 9.7602 k = 0.0000 0.4250 0.3099 ( 12534 PWs) bands (ev): -47.7618 -47.7618 -47.7609 -47.7609 -41.1499 -41.1499 -41.1430 -41.1430 -19.8194 -19.8194 -19.8145 -19.8145 -19.6488 -19.6488 -19.6465 -19.6465 -19.6262 -19.6262 -19.6231 -19.6231 -7.5525 -7.5525 -7.4985 -7.4985 0.2250 0.2250 0.4000 0.4000 2.2550 2.2550 2.3656 2.3656 2.5269 2.5269 2.7261 2.7261 7.5144 7.5144 7.9234 7.9234 9.1389 9.1389 9.7249 9.7249 k = 0.0000 0.4375 0.3099 ( 12534 PWs) bands (ev): -47.7617 -47.7617 -47.7609 -47.7609 -41.1494 -41.1494 -41.1436 -41.1436 -19.8191 -19.8191 -19.8149 -19.8149 -19.6487 -19.6487 -19.6467 -19.6467 -19.6260 -19.6260 -19.6234 -19.6234 -7.5445 -7.5445 -7.4992 -7.4992 0.2198 0.2198 0.3667 0.3667 2.2662 2.2662 2.3604 2.3604 2.5468 2.5468 2.7136 2.7136 7.5318 7.5318 7.8770 7.8770 9.1979 9.1979 9.6878 9.6878 k = 0.0000 0.4500 0.3099 ( 12534 PWs) bands (ev): -47.7616 -47.7616 -47.7610 -47.7610 -41.1488 -41.1488 -41.1442 -41.1442 -19.8187 -19.8187 -19.8154 -19.8154 -19.6485 -19.6485 -19.6469 -19.6469 -19.6258 -19.6258 -19.6237 -19.6237 -7.5370 -7.5370 -7.5006 -7.5006 0.2183 0.2183 0.3364 0.3364 2.2775 2.2775 2.3541 2.3541 2.5662 2.5662 2.7002 2.7002 7.5527 7.5527 7.8317 7.8317 9.2554 9.2554 9.6485 9.6485 k = 0.0000 0.4625 0.3099 ( 12540 PWs) bands (ev): -47.7616 -47.7616 -47.7611 -47.7611 -41.1482 -41.1482 -41.1447 -41.1447 -19.8184 -19.8184 -19.8159 -19.8159 -19.6483 -19.6483 -19.6471 -19.6471 -19.6255 -19.6255 -19.6239 -19.6239 -7.5301 -7.5301 -7.5027 -7.5027 0.2205 0.2205 0.3095 0.3095 2.2886 2.2886 2.3469 2.3469 2.5852 2.5852 2.6860 2.6860 7.5771 7.5771 7.7880 7.7880 9.3115 9.3115 9.6070 9.6070 k = 0.0000 0.4750 0.3099 ( 12540 PWs) bands (ev): -47.7615 -47.7615 -47.7612 -47.7612 -41.1476 -41.1476 -41.1453 -41.1453 -19.8180 -19.8180 -19.8163 -19.8163 -19.6482 -19.6482 -19.6474 -19.6474 -19.6253 -19.6253 -19.6242 -19.6242 -7.5238 -7.5238 -7.5055 -7.5055 0.2263 0.2263 0.2858 0.2858 2.2996 2.2996 2.3388 2.3388 2.6036 2.6036 2.6710 2.6710 7.6048 7.6048 7.7463 7.7463 9.3658 9.3658 9.5632 9.5632 k = 0.0000 0.4875 0.3099 ( 12532 PWs) bands (ev): -47.7614 -47.7614 -47.7612 -47.7612 -41.1471 -41.1471 -41.1459 -41.1459 -19.8176 -19.8176 -19.8167 -19.8167 -19.6480 -19.6480 -19.6476 -19.6476 -19.6250 -19.6250 -19.6245 -19.6245 -7.5182 -7.5182 -7.5090 -7.5090 0.2358 0.2358 0.2656 0.2656 2.3102 2.3102 2.3299 2.3299 2.6215 2.6215 2.6552 2.6552 7.6358 7.6358 7.7068 7.7068 9.4183 9.4183 9.5171 9.5171 k = 0.0000 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5133 -7.5133 -7.5133 -7.5133 0.2489 0.2489 0.2489 0.2489 2.3204 2.3204 2.3204 2.3204 2.6387 2.6387 2.6387 2.6387 7.6699 7.6699 7.6699 7.6699 9.4688 9.4688 9.4688 9.4688 k = 0.0000 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5133 -7.5133 -7.5133 -7.5133 0.2489 0.2489 0.2489 0.2489 2.3204 2.3204 2.3204 2.3204 2.6387 2.6387 2.6387 2.6387 7.6699 7.6699 7.6699 7.6699 9.4688 9.4688 9.4688 9.4688 k = 0.0125 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8171 -19.8171 -19.6481 -19.6481 -19.6474 -19.6474 -19.6251 -19.6251 -19.6245 -19.6245 -7.5130 -7.5130 -7.5130 -7.5130 0.2497 0.2497 0.2498 0.2498 2.3182 2.3182 2.3208 2.3208 2.6346 2.6346 2.6375 2.6375 7.6715 7.6715 7.6715 7.6715 9.4723 9.4723 9.4726 9.4726 k = 0.0250 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8171 -19.8171 -19.6485 -19.6485 -19.6471 -19.6471 -19.6255 -19.6255 -19.6242 -19.6242 -7.5124 -7.5124 -7.5124 -7.5124 0.2522 0.2522 0.2523 0.2523 2.3145 2.3145 2.3197 2.3197 2.6253 2.6253 2.6311 2.6311 7.6763 7.6763 7.6763 7.6763 9.4831 9.4831 9.4836 9.4836 k = 0.0375 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8173 -19.8173 -19.8171 -19.8171 -19.6488 -19.6488 -19.6467 -19.6467 -19.6258 -19.6258 -19.6239 -19.6239 -7.5113 -7.5113 -7.5113 -7.5113 0.2564 0.2564 0.2566 0.2566 2.3089 2.3089 2.3170 2.3170 2.6108 2.6108 2.6197 2.6197 7.6840 7.6840 7.6842 7.6842 9.5005 9.5005 9.5012 9.5012 k = 0.0500 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8173 -19.8173 -19.8171 -19.8171 -19.6492 -19.6492 -19.6463 -19.6463 -19.6262 -19.6262 -19.6236 -19.6236 -7.5098 -7.5098 -7.5098 -7.5098 0.2623 0.2623 0.2625 0.2625 2.3015 2.3015 2.3125 2.3125 2.5915 2.5915 2.6036 2.6036 7.6946 7.6946 7.6948 7.6948 9.5230 9.5230 9.5241 9.5241 k = 0.0625 0.5000 0.3099 ( 12552 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8174 -19.8174 -19.8171 -19.8171 -19.6495 -19.6495 -19.6460 -19.6460 -19.6266 -19.6266 -19.6234 -19.6234 -7.5078 -7.5078 -7.5078 -7.5078 0.2698 0.2698 0.2701 0.2701 2.2920 2.2920 2.3062 2.3062 2.5677 2.5677 2.5833 2.5833 7.7077 7.7077 7.7080 7.7080 9.5481 9.5481 9.5498 9.5498 k = 0.0750 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8174 -19.8174 -19.8171 -19.8171 -19.6498 -19.6498 -19.6456 -19.6456 -19.6270 -19.6270 -19.6232 -19.6232 -7.5055 -7.5055 -7.5054 -7.5054 0.2790 0.2790 0.2793 0.2793 2.2801 2.2801 2.2979 2.2979 2.5400 2.5400 2.5594 2.5594 7.7229 7.7229 7.7234 7.7234 9.5708 9.5708 9.5733 9.5733 k = 0.0875 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8175 -19.8175 -19.8171 -19.8171 -19.6501 -19.6501 -19.6453 -19.6453 -19.6274 -19.6274 -19.6230 -19.6230 -7.5027 -7.5027 -7.5027 -7.5027 0.2899 0.2899 0.2902 0.2902 2.2656 2.2656 2.2873 2.2873 2.5090 2.5090 2.5325 2.5325 7.7398 7.7398 7.7405 7.7405 9.5827 9.5827 9.5863 9.5863 k = 0.1000 0.5000 0.3099 ( 12536 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8175 -19.8175 -19.8171 -19.8171 -19.6504 -19.6504 -19.6450 -19.6450 -19.6278 -19.6278 -19.6228 -19.6228 -7.4995 -7.4995 -7.4995 -7.4995 0.3024 0.3024 0.3027 0.3027 2.2479 2.2479 2.2738 2.2738 2.4756 2.4756 2.5035 2.5035 7.7581 7.7581 7.7590 7.7590 9.5749 9.5749 9.5797 9.5797 k = 0.1125 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8176 -19.8176 -19.8171 -19.8171 -19.6507 -19.6507 -19.6447 -19.6447 -19.6283 -19.6283 -19.6227 -19.6227 -7.4960 -7.4960 -7.4960 -7.4960 0.3164 0.3164 0.3169 0.3169 2.2267 2.2267 2.2567 2.2567 2.4410 2.4410 2.4732 2.4732 7.7772 7.7772 7.7784 7.7784 9.5451 9.5451 9.5508 9.5508 k = 0.1250 0.5000 0.3099 ( 12528 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8176 -19.8176 -19.8171 -19.8171 -19.6510 -19.6510 -19.6443 -19.6443 -19.6287 -19.6287 -19.6226 -19.6226 -7.4922 -7.4922 -7.4921 -7.4921 0.3321 0.3321 0.3326 0.3326 2.2015 2.2015 2.2352 2.2352 2.4064 2.4064 2.4425 2.4425 7.7968 7.7968 7.7984 7.7984 9.4994 9.4994 9.5057 9.5057 k = 0.1375 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8177 -19.8177 -19.8171 -19.8171 -19.6513 -19.6513 -19.6441 -19.6441 -19.6291 -19.6291 -19.6225 -19.6225 -7.4880 -7.4880 -7.4880 -7.4880 0.3494 0.3494 0.3498 0.3498 2.1719 2.1719 2.2083 2.2083 2.3733 2.3733 2.4122 2.4122 7.8165 7.8165 7.8184 7.8184 9.4452 9.4452 9.4519 9.4519 k = 0.1500 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8177 -19.8177 -19.8171 -19.8171 -19.6515 -19.6515 -19.6438 -19.6438 -19.6295 -19.6295 -19.6224 -19.6224 -7.4835 -7.4835 -7.4835 -7.4835 0.3682 0.3682 0.3687 0.3687 2.1378 2.1378 2.1754 2.1754 2.3428 2.3428 2.3829 2.3829 7.8357 7.8357 7.8380 7.8380 9.3875 9.3875 9.3946 9.3946 k = 0.1625 0.5000 0.3099 ( 12536 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8178 -19.8178 -19.8171 -19.8171 -19.6518 -19.6518 -19.6435 -19.6435 -19.6299 -19.6299 -19.6224 -19.6224 -7.4787 -7.4787 -7.4787 -7.4787 0.3885 0.3885 0.3890 0.3890 2.0994 2.0994 2.1365 2.1365 2.3151 2.3151 2.3547 2.3547 7.8540 7.8540 7.8568 7.8568 9.3294 9.3294 9.3369 9.3369 k = 0.1750 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8179 -19.8179 -19.8172 -19.8172 -19.6520 -19.6520 -19.6433 -19.6433 -19.6303 -19.6303 -19.6223 -19.6223 -7.4737 -7.4737 -7.4737 -7.4737 0.4102 0.4102 0.4108 0.4108 2.0572 2.0572 2.0927 2.0927 2.2897 2.2897 2.3277 2.3277 7.8711 7.8711 7.8744 7.8744 9.2730 9.2730 9.2809 9.2809 k = 0.1875 0.5000 0.3099 ( 12552 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1464 -41.1464 -41.1464 -41.1464 -19.8179 -19.8179 -19.8172 -19.8172 -19.6522 -19.6522 -19.6431 -19.6431 -19.6306 -19.6306 -19.6223 -19.6223 -7.4684 -7.4684 -7.4684 -7.4684 0.4335 0.4335 0.4340 0.4340 2.0119 2.0119 2.0451 2.0451 2.2657 2.2657 2.3015 2.3015 7.8865 7.8865 7.8903 7.8903 9.2197 9.2197 9.2280 9.2280 k = 0.2000 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1464 -41.1464 -41.1464 -41.1464 -19.8180 -19.8180 -19.8173 -19.8173 -19.6524 -19.6524 -19.6430 -19.6430 -19.6310 -19.6310 -19.6223 -19.6223 -7.4630 -7.4630 -7.4630 -7.4630 0.4581 0.4581 0.4587 0.4587 1.9642 1.9642 1.9949 1.9949 2.2425 2.2425 2.2758 2.2758 7.8998 7.8998 7.9040 7.9040 9.1704 9.1704 9.1791 9.1791 k = 0.2125 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1464 -41.1464 -41.1464 -41.1464 -19.8181 -19.8181 -19.8173 -19.8173 -19.6525 -19.6525 -19.6429 -19.6429 -19.6313 -19.6313 -19.6224 -19.6224 -7.4574 -7.4574 -7.4574 -7.4574 0.4841 0.4841 0.4847 0.4847 1.9148 1.9148 1.9431 1.9431 2.2193 2.2193 2.2502 2.2502 7.9106 7.9106 7.9153 7.9153 9.1261 9.1261 9.1351 9.1351 k = 0.2250 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8181 -19.8181 -19.8174 -19.8174 -19.6527 -19.6527 -19.6428 -19.6428 -19.6315 -19.6315 -19.6224 -19.6224 -7.4517 -7.4517 -7.4517 -7.4517 0.5114 0.5114 0.5120 0.5120 1.8644 1.8644 1.8905 1.8905 2.1958 2.1958 2.2245 2.2245 7.9185 7.9185 7.9237 7.9237 9.0874 9.0874 9.0967 9.0967 k = 0.2375 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8182 -19.8182 -19.8174 -19.8174 -19.6528 -19.6528 -19.6428 -19.6428 -19.6317 -19.6317 -19.6225 -19.6225 -7.4459 -7.4459 -7.4458 -7.4458 0.5400 0.5400 0.5405 0.5405 1.8136 1.8136 1.8377 1.8377 2.1717 2.1717 2.1983 2.1983 7.9234 7.9234 7.9290 7.9290 9.0547 9.0547 9.0644 9.0644 k = 0.2500 0.5000 0.3099 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8182 -19.8182 -19.8175 -19.8175 -19.6529 -19.6529 -19.6429 -19.6429 -19.6318 -19.6318 -19.6226 -19.6226 -7.4400 -7.4400 -7.4400 -7.4400 0.5698 0.5698 0.5702 0.5702 1.7627 1.7627 1.7852 1.7852 2.1468 2.1468 2.1716 2.1716 7.9250 7.9250 7.9309 7.9309 9.0284 9.0284 9.0383 9.0383 k = 0.2625 0.5000 0.3099 ( 12560 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8183 -19.8183 -19.8175 -19.8175 -19.6530 -19.6530 -19.6430 -19.6430 -19.6319 -19.6319 -19.6227 -19.6227 -7.4341 -7.4341 -7.4341 -7.4341 0.6007 0.6007 0.6011 0.6011 1.7124 1.7124 1.7333 1.7333 2.1209 2.1209 2.1441 2.1441 7.9233 7.9233 7.9294 7.9294 9.0087 9.0087 9.0186 9.0186 k = 0.2750 0.5000 0.3099 ( 12560 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8184 -19.8184 -19.8176 -19.8176 -19.6530 -19.6530 -19.6432 -19.6432 -19.6320 -19.6320 -19.6229 -19.6229 -7.4282 -7.4282 -7.4282 -7.4282 0.6327 0.6327 0.6330 0.6330 1.6629 1.6629 1.6826 1.6826 2.0940 2.0940 2.1158 2.1158 7.9184 7.9184 7.9247 7.9247 8.9954 8.9954 9.0053 9.0053 k = 0.2875 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8184 -19.8184 -19.8177 -19.8177 -19.6531 -19.6531 -19.6434 -19.6434 -19.6320 -19.6320 -19.6230 -19.6230 -7.4224 -7.4224 -7.4223 -7.4223 0.6657 0.6657 0.6659 0.6659 1.6147 1.6147 1.6333 1.6333 2.0661 2.0661 2.0866 2.0866 7.9107 7.9107 7.9170 7.9170 8.9882 8.9882 8.9980 8.9980 k = 0.3000 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8185 -19.8185 -19.8177 -19.8177 -19.6531 -19.6531 -19.6436 -19.6436 -19.6319 -19.6319 -19.6232 -19.6232 -7.4166 -7.4166 -7.4166 -7.4166 0.6996 0.6996 0.6997 0.6997 1.5680 1.5680 1.5856 1.5856 2.0372 2.0372 2.0565 2.0565 7.9004 7.9004 7.9066 7.9066 8.9866 8.9866 8.9963 8.9963 k = 0.3125 0.5000 0.3099 ( 12552 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1463 -41.1463 -19.8185 -19.8185 -19.8178 -19.8178 -19.6530 -19.6530 -19.6439 -19.6439 -19.6318 -19.6318 -19.6234 -19.6234 -7.4110 -7.4110 -7.4110 -7.4110 0.7342 0.7342 0.7343 0.7343 1.5231 1.5231 1.5400 1.5400 2.0072 2.0072 2.0255 2.0255 7.8880 7.8880 7.8941 7.8941 8.9902 8.9902 8.9995 8.9995 k = 0.3250 0.5000 0.3099 ( 12536 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1463 -41.1463 -41.1462 -41.1462 -19.8186 -19.8186 -19.8179 -19.8179 -19.6530 -19.6530 -19.6443 -19.6443 -19.6316 -19.6316 -19.6236 -19.6236 -7.4055 -7.4055 -7.4055 -7.4055 0.7694 0.7694 0.7697 0.7697 1.4803 1.4803 1.4966 1.4966 1.9762 1.9762 1.9936 1.9936 7.8741 7.8741 7.8799 7.8799 8.9981 8.9981 9.0071 9.0071 k = 0.3375 0.5000 0.3099 ( 12516 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8179 -19.8179 -19.6529 -19.6529 -19.6446 -19.6446 -19.6314 -19.6314 -19.6238 -19.6238 -7.4003 -7.4003 -7.4002 -7.4002 0.8050 0.8050 0.8057 0.8057 1.4398 1.4398 1.4557 1.4557 1.9442 1.9442 1.9608 1.9608 7.8592 7.8592 7.8647 7.8647 9.0097 9.0097 9.0182 9.0182 k = 0.3500 0.5000 0.3099 ( 12516 PWs) bands (ev): -47.7612 -47.7612 -47.7612 -47.7612 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8180 -19.8180 -19.6529 -19.6529 -19.6450 -19.6450 -19.6312 -19.6312 -19.6240 -19.6240 -7.3952 -7.3952 -7.3952 -7.3952 0.8410 0.8410 0.8420 0.8420 1.4019 1.4019 1.4176 1.4176 1.9114 1.9114 1.9273 1.9273 7.8437 7.8437 7.8489 7.8489 9.0242 9.0242 9.0322 9.0322 k = 0.3625 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8181 -19.8181 -19.6527 -19.6527 -19.6454 -19.6454 -19.6310 -19.6310 -19.6242 -19.6242 -7.3904 -7.3904 -7.3904 -7.3904 0.8769 0.8769 0.8785 0.8785 1.3669 1.3669 1.3825 1.3825 1.8778 1.8778 1.8930 1.8930 7.8282 7.8282 7.8330 7.8330 9.0409 9.0409 9.0484 9.0484 k = 0.3750 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8182 -19.8182 -19.6526 -19.6526 -19.6458 -19.6458 -19.6307 -19.6307 -19.6245 -19.6245 -7.3860 -7.3860 -7.3860 -7.3860 0.9126 0.9126 0.9148 0.9148 1.3350 1.3350 1.3507 1.3507 1.8437 1.8437 1.8582 1.8582 7.8130 7.8130 7.8174 7.8174 9.0589 9.0589 9.0659 9.0659 k = 0.3875 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8182 -19.8182 -19.6524 -19.6524 -19.6463 -19.6463 -19.6304 -19.6304 -19.6248 -19.6248 -7.3818 -7.3818 -7.3818 -7.3818 0.9475 0.9475 0.9506 0.9506 1.3067 1.3067 1.3227 1.3227 1.8091 1.8091 1.8230 1.8230 7.7985 7.7985 7.8025 7.8025 9.0778 9.0778 9.0841 9.0841 k = 0.4000 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8183 -19.8183 -19.6523 -19.6523 -19.6467 -19.6467 -19.6302 -19.6302 -19.6250 -19.6250 -7.3780 -7.3780 -7.3780 -7.3780 0.9811 0.9811 0.9852 0.9852 1.2823 1.2823 1.2989 1.2989 1.7742 1.7742 1.7876 1.7876 7.7850 7.7850 7.7885 7.7885 9.0966 9.0966 9.1023 9.1023 k = 0.4125 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8188 -19.8188 -19.8183 -19.8183 -19.6520 -19.6520 -19.6471 -19.6471 -19.6298 -19.6298 -19.6253 -19.6253 -7.3746 -7.3746 -7.3746 -7.3746 1.0123 1.0123 1.0177 1.0177 1.2626 1.2626 1.2800 1.2800 1.7396 1.7396 1.7523 1.7523 7.7726 7.7726 7.7757 7.7757 9.1150 9.1150 9.1200 9.1200 k = 0.4250 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8188 -19.8188 -19.8184 -19.8184 -19.6518 -19.6518 -19.6476 -19.6476 -19.6295 -19.6295 -19.6256 -19.6256 -7.3716 -7.3716 -7.3716 -7.3716 1.0400 1.0400 1.0467 1.0467 1.2488 1.2488 1.2669 1.2669 1.7054 1.7054 1.7175 1.7175 7.7616 7.7616 7.7642 7.7642 9.1322 9.1322 9.1366 9.1366 k = 0.4375 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8188 -19.8188 -19.8185 -19.8185 -19.6516 -19.6516 -19.6480 -19.6480 -19.6292 -19.6292 -19.6259 -19.6259 -7.3690 -7.3690 -7.3690 -7.3690 1.0627 1.0627 1.0704 1.0704 1.2421 1.2421 1.2605 1.2605 1.6725 1.6725 1.6837 1.6837 7.7521 7.7521 7.7543 7.7543 9.1478 9.1478 9.1515 9.1515 k = 0.4500 0.5000 0.3099 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8188 -19.8188 -19.8185 -19.8185 -19.6513 -19.6513 -19.6484 -19.6484 -19.6289 -19.6289 -19.6262 -19.6262 -7.3669 -7.3669 -7.3669 -7.3669 1.0791 1.0791 1.0869 1.0869 1.2437 1.2437 1.2612 1.2612 1.6417 1.6417 1.6519 1.6519 7.7442 7.7442 7.7460 7.7460 9.1613 9.1613 9.1643 9.1643 k = 0.4625 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6510 -19.6510 -19.6488 -19.6488 -19.6285 -19.6285 -19.6266 -19.6266 -7.3652 -7.3652 -7.3652 -7.3652 1.0895 1.0895 1.0960 1.0960 1.2526 1.2526 1.2674 1.2674 1.6144 1.6144 1.6231 1.6231 7.7381 7.7381 7.7394 7.7394 9.1723 9.1723 9.1746 9.1746 k = 0.4750 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6507 -19.6507 -19.6492 -19.6492 -19.6282 -19.6282 -19.6269 -19.6269 -7.3640 -7.3640 -7.3640 -7.3640 1.0952 1.0952 1.0996 1.0996 1.2651 1.2651 1.2759 1.2759 1.5926 1.5926 1.5991 1.5991 7.7337 7.7337 7.7346 7.7346 9.1805 9.1805 9.1821 9.1821 k = 0.4875 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6503 -19.6503 -19.6496 -19.6496 -19.6279 -19.6279 -19.6272 -19.6272 -7.3633 -7.3633 -7.3633 -7.3633 1.0981 1.0981 1.1003 1.1003 1.2766 1.2766 1.2823 1.2823 1.5788 1.5788 1.5823 1.5823 7.7312 7.7312 7.7316 7.7316 9.1857 9.1857 9.1865 9.1865 k = 0.5000 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3630 -7.3630 -7.3630 -7.3630 1.0996 1.0996 1.0996 1.0996 1.2829 1.2829 1.2829 1.2829 1.5751 1.5751 1.5751 1.5751 7.7305 7.7305 7.7305 7.7305 9.1877 9.1877 9.1877 9.1877 k = 0.5000 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3630 -7.3630 -7.3630 -7.3630 1.0996 1.0996 1.0996 1.0996 1.2829 1.2829 1.2829 1.2829 1.5751 1.5751 1.5751 1.5751 7.7305 7.7305 7.7305 7.7305 9.1877 9.1877 9.1877 9.1877 k = 0.4911 0.4911 0.3099 ( 12552 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8186 -19.8186 -19.6503 -19.6503 -19.6496 -19.6496 -19.6279 -19.6279 -19.6272 -19.6272 -7.3634 -7.3634 -7.3632 -7.3632 1.0978 1.0978 1.1007 1.1007 1.2741 1.2741 1.2846 1.2846 1.5770 1.5770 1.5843 1.5843 7.7305 7.7305 7.7323 7.7323 9.1834 9.1834 9.1887 9.1887 k = 0.4821 0.4821 0.3099 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1461 -41.1461 -19.8187 -19.8187 -19.8186 -19.8186 -19.6507 -19.6507 -19.6492 -19.6492 -19.6282 -19.6282 -19.6269 -19.6269 -7.3644 -7.3644 -7.3636 -7.3636 1.0938 1.0938 1.1023 1.1023 1.2525 1.2525 1.2872 1.2872 1.5840 1.5840 1.6079 1.6079 7.7307 7.7307 7.7377 7.7377 9.1712 9.1712 9.1917 9.1917 k = 0.4732 0.4732 0.3099 ( 12532 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1463 -41.1463 -41.1461 -41.1461 -19.8188 -19.8188 -19.8185 -19.8185 -19.6510 -19.6510 -19.6488 -19.6488 -19.6286 -19.6286 -19.6266 -19.6266 -7.3662 -7.3662 -7.3643 -7.3643 1.0877 1.0877 1.1049 1.1049 1.2224 1.2224 1.2915 1.2915 1.5953 1.5953 1.6417 1.6417 7.7309 7.7309 7.7468 7.7468 9.1522 9.1522 9.1966 9.1966 k = 0.4643 0.4643 0.3099 ( 12524 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1464 -41.1464 -41.1460 -41.1460 -19.8188 -19.8188 -19.8185 -19.8185 -19.6513 -19.6513 -19.6484 -19.6484 -19.6289 -19.6289 -19.6262 -19.6262 -7.3686 -7.3686 -7.3653 -7.3653 1.0798 1.0798 1.1079 1.1079 1.1880 1.1880 1.2975 1.2975 1.6105 1.6105 1.6816 1.6816 7.7308 7.7308 7.7594 7.7594 9.1284 9.1284 9.2034 9.2034 k = 0.4554 0.4554 0.3099 ( 12534 PWs) bands (ev): -47.7612 -47.7612 -47.7611 -47.7611 -41.1465 -41.1465 -41.1459 -41.1459 -19.8189 -19.8189 -19.8184 -19.8184 -19.6516 -19.6516 -19.6480 -19.6480 -19.6292 -19.6292 -19.6259 -19.6259 -7.3718 -7.3718 -7.3666 -7.3666 1.0706 1.0706 1.1097 1.1097 1.1538 1.1538 1.3053 1.3053 1.6290 1.6290 1.7252 1.7252 7.7301 7.7301 7.7757 7.7757 9.1019 9.1019 9.2122 9.2122 k = 0.4464 0.4464 0.3099 ( 12532 PWs) bands (ev): -47.7612 -47.7612 -47.7611 -47.7611 -41.1466 -41.1466 -41.1458 -41.1458 -19.8189 -19.8189 -19.8182 -19.8182 -19.6518 -19.6518 -19.6476 -19.6476 -19.6296 -19.6296 -19.6256 -19.6256 -7.3756 -7.3756 -7.3682 -7.3682 1.0606 1.0606 1.0977 1.0977 1.1335 1.1335 1.3148 1.3148 1.6502 1.6502 1.7708 1.7708 7.7285 7.7285 7.7956 7.7956 9.0749 9.0749 9.2228 9.2228 k = 0.4375 0.4375 0.3099 ( 12516 PWs) bands (ev): -47.7612 -47.7612 -47.7610 -47.7610 -41.1467 -41.1467 -41.1456 -41.1456 -19.8190 -19.8190 -19.8181 -19.8181 -19.6521 -19.6521 -19.6471 -19.6471 -19.6299 -19.6299 -19.6253 -19.6253 -7.3801 -7.3801 -7.3701 -7.3701 1.0500 1.0500 1.0654 1.0654 1.1350 1.1350 1.3261 1.3261 1.6737 1.6737 1.8176 1.8176 7.7256 7.7256 7.8192 7.8192 9.0493 9.0493 9.2353 9.2353 k = 0.4286 0.4286 0.3099 ( 12522 PWs) bands (ev): -47.7612 -47.7612 -47.7610 -47.7610 -41.1469 -41.1469 -41.1455 -41.1455 -19.8191 -19.8191 -19.8179 -19.8179 -19.6523 -19.6523 -19.6467 -19.6467 -19.6302 -19.6302 -19.6250 -19.6250 -7.3853 -7.3853 -7.3723 -7.3723 1.0280 1.0280 1.0406 1.0406 1.1422 1.1422 1.3391 1.3391 1.6989 1.6989 1.8649 1.8649 7.7210 7.7210 7.8464 7.8464 9.0269 9.0269 9.2496 9.2496 k = 0.4196 0.4196 0.3099 ( 12526 PWs) bands (ev): -47.7613 -47.7613 -47.7610 -47.7610 -41.1471 -41.1471 -41.1453 -41.1453 -19.8191 -19.8191 -19.8178 -19.8178 -19.6525 -19.6525 -19.6462 -19.6462 -19.6305 -19.6305 -19.6247 -19.6247 -7.3911 -7.3911 -7.3748 -7.3748 0.9918 0.9918 1.0304 1.0304 1.1515 1.1515 1.3539 1.3539 1.7255 1.7255 1.9122 1.9122 7.7144 7.7144 7.8773 7.8773 9.0089 9.0089 9.2657 9.2657 k = 0.4107 0.4107 0.3099 ( 12532 PWs) bands (ev): -47.7613 -47.7613 -47.7610 -47.7610 -41.1473 -41.1473 -41.1451 -41.1451 -19.8192 -19.8192 -19.8176 -19.8176 -19.6526 -19.6526 -19.6458 -19.6458 -19.6308 -19.6308 -19.6244 -19.6244 -7.3975 -7.3975 -7.3776 -7.3776 0.9564 0.9564 1.0212 1.0212 1.1623 1.1623 1.3704 1.3704 1.7530 1.7530 1.9592 1.9592 7.7056 7.7056 7.9118 7.9118 8.9965 8.9965 9.2834 9.2834 k = 0.4018 0.4018 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7610 -47.7610 -41.1476 -41.1476 -41.1449 -41.1449 -19.8193 -19.8193 -19.8173 -19.8173 -19.6527 -19.6527 -19.6454 -19.6454 -19.6310 -19.6310 -19.6242 -19.6242 -7.4045 -7.4045 -7.3807 -7.3807 0.9224 0.9224 1.0130 1.0130 1.1742 1.1742 1.3885 1.3885 1.7813 1.7813 2.0056 2.0056 7.6944 7.6944 7.9500 7.9500 8.9902 8.9902 9.3028 9.3028 k = 0.3929 0.3929 0.3099 ( 12540 PWs) bands (ev): -47.7614 -47.7614 -47.7609 -47.7609 -41.1478 -41.1478 -41.1446 -41.1446 -19.8195 -19.8195 -19.8171 -19.8171 -19.6529 -19.6529 -19.6450 -19.6450 -19.6313 -19.6313 -19.6239 -19.6239 -7.4121 -7.4121 -7.3841 -7.3841 0.8901 0.8901 1.0059 1.0059 1.1873 1.1873 1.4083 1.4083 1.8100 1.8100 2.0511 2.0511 7.6809 7.6809 7.9918 7.9918 8.9906 8.9906 9.3237 9.3237 k = 0.3839 0.3839 0.3099 ( 12544 PWs) bands (ev): -47.7614 -47.7614 -47.7609 -47.7609 -41.1481 -41.1481 -41.1444 -41.1444 -19.8196 -19.8196 -19.8168 -19.8168 -19.6529 -19.6529 -19.6446 -19.6446 -19.6315 -19.6315 -19.6237 -19.6237 -7.4203 -7.4203 -7.3878 -7.3878 0.8597 0.8597 1.0002 1.0002 1.2015 1.2015 1.4298 1.4298 1.8390 1.8390 2.0954 2.0954 7.6654 7.6654 8.0372 8.0372 8.9975 8.9975 9.3460 9.3460 k = 0.3750 0.3750 0.3099 ( 12546 PWs) bands (ev): -47.7615 -47.7615 -47.7609 -47.7609 -41.1484 -41.1484 -41.1441 -41.1441 -19.8197 -19.8197 -19.8166 -19.8166 -19.6530 -19.6530 -19.6442 -19.6442 -19.6317 -19.6317 -19.6234 -19.6234 -7.4290 -7.4290 -7.3918 -7.3918 0.8312 0.8312 0.9958 0.9958 1.2168 1.2168 1.4528 1.4528 1.8679 1.8679 2.1384 2.1384 7.6482 7.6482 8.0861 8.0861 9.0107 9.0107 9.3696 9.3696 k = 0.3661 0.3661 0.3099 ( 12554 PWs) bands (ev): -47.7615 -47.7615 -47.7608 -47.7608 -41.1487 -41.1487 -41.1438 -41.1438 -19.8198 -19.8198 -19.8163 -19.8163 -19.6530 -19.6530 -19.6439 -19.6439 -19.6318 -19.6318 -19.6232 -19.6232 -7.4383 -7.4383 -7.3961 -7.3961 0.8050 0.8050 0.9930 0.9930 1.2330 1.2330 1.4775 1.4775 1.8968 1.8968 2.1799 2.1799 7.6299 7.6299 8.1385 8.1385 9.0296 9.0296 9.3943 9.3943 k = 0.3571 0.3571 0.3099 ( 12556 PWs) bands (ev): -47.7616 -47.7616 -47.7608 -47.7608 -41.1491 -41.1491 -41.1435 -41.1435 -19.8200 -19.8200 -19.8159 -19.8159 -19.6531 -19.6531 -19.6435 -19.6435 -19.6320 -19.6320 -19.6229 -19.6229 -7.4480 -7.4480 -7.4007 -7.4007 0.7810 0.7810 0.9917 0.9917 1.2503 1.2503 1.5037 1.5037 1.9253 1.9253 2.2197 2.2197 7.6109 7.6109 8.1943 8.1943 9.0533 9.0533 9.4201 9.4201 k = 0.3482 0.3482 0.3099 ( 12566 PWs) bands (ev): -47.7616 -47.7616 -47.7608 -47.7608 -41.1494 -41.1494 -41.1432 -41.1432 -19.8201 -19.8201 -19.8156 -19.8156 -19.6530 -19.6530 -19.6433 -19.6433 -19.6320 -19.6320 -19.6227 -19.6227 -7.4582 -7.4582 -7.4055 -7.4055 0.7593 0.7593 0.9921 0.9921 1.2684 1.2684 1.5313 1.5313 1.9536 1.9536 2.2576 2.2576 7.5919 7.5919 8.2533 8.2533 9.0808 9.0808 9.4466 9.4466 k = 0.3393 0.3393 0.3099 ( 12554 PWs) bands (ev): -47.7617 -47.7617 -47.7607 -47.7607 -41.1498 -41.1498 -41.1429 -41.1429 -19.8202 -19.8202 -19.8153 -19.8153 -19.6530 -19.6530 -19.6430 -19.6430 -19.6321 -19.6321 -19.6225 -19.6225 -7.4689 -7.4689 -7.4107 -7.4107 0.7401 0.7401 0.9940 0.9940 1.2875 1.2875 1.5605 1.5605 1.9813 1.9813 2.2935 2.2935 7.5735 7.5735 8.3154 8.3154 9.1110 9.1110 9.4737 9.4737 k = 0.3304 0.3304 0.3099 ( 12556 PWs) bands (ev): -47.7617 -47.7617 -47.7607 -47.7607 -41.1501 -41.1501 -41.1425 -41.1425 -19.8204 -19.8204 -19.8149 -19.8149 -19.6530 -19.6530 -19.6428 -19.6428 -19.6321 -19.6321 -19.6223 -19.6223 -7.4799 -7.4799 -7.4162 -7.4162 0.7234 0.7234 0.9976 0.9976 1.3074 1.3074 1.5910 1.5910 2.0086 2.0086 2.3272 2.3272 7.5561 7.5561 8.3802 8.3802 9.1422 9.1422 9.5011 9.5011 k = 0.3214 0.3214 0.3099 ( 12564 PWs) bands (ev): -47.7618 -47.7618 -47.7607 -47.7607 -41.1505 -41.1505 -41.1422 -41.1422 -19.8205 -19.8205 -19.8145 -19.8145 -19.6529 -19.6529 -19.6427 -19.6427 -19.6320 -19.6320 -19.6221 -19.6221 -7.4913 -7.4913 -7.4219 -7.4219 0.7092 0.7092 1.0028 1.0028 1.3282 1.3282 1.6230 1.6230 2.0353 2.0353 2.3585 2.3585 7.5403 7.5403 8.4476 8.4476 9.1729 9.1729 9.5285 9.5285 k = 0.3125 0.3125 0.3099 ( 12550 PWs) bands (ev): -47.7619 -47.7619 -47.7606 -47.7606 -41.1509 -41.1509 -41.1418 -41.1418 -19.8207 -19.8207 -19.8142 -19.8142 -19.6528 -19.6528 -19.6425 -19.6425 -19.6320 -19.6320 -19.6219 -19.6219 -7.5030 -7.5030 -7.4279 -7.4279 0.6977 0.6977 1.0096 1.0096 1.3497 1.3497 1.6562 1.6562 2.0615 2.0615 2.3875 2.3875 7.5266 7.5266 8.5172 8.5172 9.2010 9.2010 9.5555 9.5555 k = 0.3036 0.3036 0.3099 ( 12558 PWs) bands (ev): -47.7619 -47.7619 -47.7606 -47.7606 -41.1513 -41.1513 -41.1414 -41.1414 -19.8208 -19.8208 -19.8138 -19.8138 -19.6527 -19.6527 -19.6424 -19.6424 -19.6318 -19.6318 -19.6217 -19.6217 -7.5150 -7.5150 -7.4342 -7.4342 0.6888 0.6888 1.0178 1.0178 1.3719 1.3719 1.6908 1.6908 2.0871 2.0871 2.4139 2.4139 7.5151 7.5151 8.5883 8.5883 9.2242 9.2242 9.5818 9.5818 k = 0.2946 0.2946 0.3099 ( 12574 PWs) bands (ev): -47.7620 -47.7620 -47.7605 -47.7605 -41.1517 -41.1517 -41.1411 -41.1411 -19.8210 -19.8210 -19.8133 -19.8133 -19.6526 -19.6526 -19.6424 -19.6424 -19.6317 -19.6317 -19.6215 -19.6215 -7.5273 -7.5273 -7.4407 -7.4407 0.6826 0.6826 1.0275 1.0275 1.3948 1.3948 1.7265 1.7265 2.1122 2.1122 2.4376 2.4376 7.5064 7.5064 8.6604 8.6604 9.2401 9.2401 9.6067 9.6067 k = 0.2857 0.2857 0.3099 ( 12562 PWs) bands (ev): -47.7621 -47.7621 -47.7605 -47.7605 -41.1521 -41.1521 -41.1407 -41.1407 -19.8211 -19.8211 -19.8129 -19.8129 -19.6525 -19.6525 -19.6423 -19.6423 -19.6315 -19.6315 -19.6212 -19.6212 -7.5397 -7.5397 -7.4474 -7.4474 0.6791 0.6791 1.0385 1.0385 1.4183 1.4183 1.7633 1.7633 2.1368 2.1368 2.4586 2.4586 7.5006 7.5006 8.7326 8.7326 9.2460 9.2460 9.6299 9.6299 k = 0.2768 0.2768 0.3099 ( 12574 PWs) bands (ev): -47.7621 -47.7621 -47.7604 -47.7604 -41.1526 -41.1526 -41.1403 -41.1403 -19.8213 -19.8213 -19.8125 -19.8125 -19.6524 -19.6524 -19.6423 -19.6423 -19.6313 -19.6313 -19.6210 -19.6210 -7.5524 -7.5524 -7.4543 -7.4543 0.6783 0.6783 1.0508 1.0508 1.4424 1.4424 1.8012 1.8012 2.1610 2.1610 2.4769 2.4769 7.4978 7.4978 8.8037 8.8037 9.2393 9.2393 9.6506 9.6506 k = 0.2679 0.2679 0.3099 ( 12574 PWs) bands (ev): -47.7622 -47.7622 -47.7604 -47.7604 -41.1530 -41.1530 -41.1399 -41.1399 -19.8215 -19.8215 -19.8121 -19.8121 -19.6522 -19.6522 -19.6423 -19.6423 -19.6311 -19.6311 -19.6208 -19.6208 -7.5652 -7.5652 -7.4614 -7.4614 0.6802 0.6802 1.0642 1.0642 1.4670 1.4670 1.8401 1.8401 2.1848 2.1848 2.4924 2.4924 7.4983 7.4983 8.8724 8.8724 9.2181 9.2181 9.6682 9.6682 k = 0.2589 0.2589 0.3099 ( 12574 PWs) bands (ev): -47.7623 -47.7623 -47.7604 -47.7604 -41.1534 -41.1534 -41.1395 -41.1395 -19.8216 -19.8216 -19.8116 -19.8116 -19.6521 -19.6521 -19.6424 -19.6424 -19.6309 -19.6309 -19.6206 -19.6206 -7.5780 -7.5780 -7.4687 -7.4687 0.6847 0.6847 1.0787 1.0787 1.4920 1.4920 1.8800 1.8800 2.2083 2.2083 2.5050 2.5050 7.5019 7.5019 8.9369 8.9369 9.1816 9.1816 9.6820 9.6820 k = 0.2500 0.2500 0.3099 ( 12568 PWs) bands (ev): -47.7623 -47.7623 -47.7603 -47.7603 -41.1539 -41.1539 -41.1391 -41.1391 -19.8218 -19.8218 -19.8112 -19.8112 -19.6520 -19.6520 -19.6424 -19.6424 -19.6307 -19.6307 -19.6204 -19.6204 -7.5910 -7.5910 -7.4761 -7.4761 0.6920 0.6920 1.0940 1.0940 1.5173 1.5173 1.9206 1.9206 2.2316 2.2316 2.5148 2.5148 7.5088 7.5088 8.9948 8.9948 9.1300 9.1300 9.6912 9.6912 k = 0.2411 0.2411 0.3099 ( 12556 PWs) bands (ev): -47.7624 -47.7624 -47.7603 -47.7603 -41.1543 -41.1543 -41.1387 -41.1387 -19.8219 -19.8219 -19.8107 -19.8107 -19.6518 -19.6518 -19.6424 -19.6424 -19.6305 -19.6305 -19.6202 -19.6202 -7.6039 -7.6039 -7.4837 -7.4837 0.7020 0.7020 1.1100 1.1100 1.5429 1.5429 1.9619 1.9619 2.2549 2.2549 2.5217 2.5217 7.5187 7.5187 9.0434 9.0434 9.0651 9.0651 9.6952 9.6952 k = 0.2321 0.2321 0.3099 ( 12556 PWs) bands (ev): -47.7625 -47.7625 -47.7602 -47.7602 -41.1547 -41.1547 -41.1383 -41.1383 -19.8221 -19.8221 -19.8103 -19.8103 -19.6517 -19.6517 -19.6424 -19.6424 -19.6303 -19.6303 -19.6199 -19.6199 -7.6168 -7.6168 -7.4913 -7.4913 0.7145 0.7145 1.1267 1.1267 1.5688 1.5688 2.0038 2.0038 2.2781 2.2781 2.5258 2.5258 7.5315 7.5315 8.9882 8.9882 9.0812 9.0812 9.6931 9.6931 k = 0.2232 0.2232 0.3099 ( 12556 PWs) bands (ev): -47.7625 -47.7625 -47.7602 -47.7602 -41.1551 -41.1551 -41.1379 -41.1379 -19.8222 -19.8222 -19.8098 -19.8098 -19.6516 -19.6516 -19.6424 -19.6424 -19.6301 -19.6301 -19.6197 -19.6197 -7.6297 -7.6297 -7.4990 -7.4990 0.7296 0.7296 1.1437 1.1437 1.5948 1.5948 2.0463 2.0463 2.3015 2.3015 2.5271 2.5271 7.5469 7.5469 8.9033 8.9033 9.1043 9.1043 9.6846 9.6846 k = 0.2143 0.2143 0.3099 ( 12556 PWs) bands (ev): -47.7626 -47.7626 -47.7601 -47.7601 -41.1556 -41.1556 -41.1375 -41.1375 -19.8223 -19.8223 -19.8094 -19.8094 -19.6515 -19.6515 -19.6424 -19.6424 -19.6300 -19.6300 -19.6194 -19.6194 -7.6424 -7.6424 -7.5068 -7.5068 0.7473 0.7473 1.1611 1.1611 1.6209 1.6209 2.0891 2.0891 2.3250 2.3250 2.5257 2.5257 7.5645 7.5645 8.8126 8.8126 9.1119 9.1119 9.6693 9.6693 k = 0.2054 0.2054 0.3099 ( 12554 PWs) bands (ev): -47.7627 -47.7627 -47.7601 -47.7601 -41.1560 -41.1560 -41.1371 -41.1371 -19.8225 -19.8225 -19.8089 -19.8089 -19.6514 -19.6514 -19.6424 -19.6424 -19.6298 -19.6298 -19.6191 -19.6191 -7.6550 -7.6550 -7.5145 -7.5145 0.7674 0.7674 1.1785 1.1785 1.6469 1.6469 2.1321 2.1321 2.3489 2.3489 2.5217 2.5217 7.5837 7.5837 8.7190 8.7190 9.1032 9.1032 9.6471 9.6471 k = 0.1964 0.1964 0.3099 ( 12554 PWs) bands (ev): -47.7627 -47.7627 -47.7600 -47.7600 -41.1564 -41.1564 -41.1368 -41.1368 -19.8226 -19.8226 -19.8085 -19.8085 -19.6513 -19.6513 -19.6423 -19.6423 -19.6297 -19.6297 -19.6189 -19.6189 -7.6674 -7.6674 -7.5223 -7.5223 0.7899 0.7899 1.1959 1.1959 1.6728 1.6728 2.1752 2.1752 2.3731 2.3731 2.5150 2.5150 7.6036 7.6036 8.6249 8.6249 9.0792 9.0792 9.6183 9.6183 k = 0.1875 0.1875 0.3099 ( 12558 PWs) bands (ev): -47.7628 -47.7628 -47.7600 -47.7600 -41.1568 -41.1568 -41.1364 -41.1364 -19.8227 -19.8227 -19.8080 -19.8080 -19.6512 -19.6512 -19.6422 -19.6422 -19.6296 -19.6296 -19.6186 -19.6186 -7.6795 -7.6795 -7.5300 -7.5300 0.8146 0.8146 1.2131 1.2131 1.6985 1.6985 2.2182 2.2182 2.3977 2.3977 2.5059 2.5059 7.6230 7.6230 8.5329 8.5329 9.0415 9.0415 9.5833 9.5833 k = 0.1786 0.1786 0.3099 ( 12548 PWs) bands (ev): -47.7629 -47.7629 -47.7600 -47.7600 -41.1572 -41.1572 -41.1360 -41.1360 -19.8228 -19.8228 -19.8076 -19.8076 -19.6512 -19.6512 -19.6421 -19.6421 -19.6296 -19.6296 -19.6183 -19.6183 -7.6914 -7.6914 -7.5376 -7.5376 0.8416 0.8416 1.2300 1.2300 1.7239 1.7239 2.2610 2.2610 2.4229 2.4229 2.4944 2.4944 7.6402 7.6402 8.4460 8.4460 8.9922 8.9922 9.5427 9.5427 k = 0.1696 0.1696 0.3099 ( 12544 PWs) bands (ev): -47.7629 -47.7629 -47.7599 -47.7599 -41.1576 -41.1576 -41.1357 -41.1357 -19.8229 -19.8229 -19.8072 -19.8072 -19.6512 -19.6512 -19.6420 -19.6420 -19.6295 -19.6295 -19.6180 -19.6180 -7.7029 -7.7029 -7.5450 -7.5450 0.8707 0.8707 1.2463 1.2463 1.7490 1.7490 2.3032 2.3032 2.4483 2.4483 2.4809 2.4809 7.6526 7.6526 8.3674 8.3674 8.9337 8.9337 9.4974 9.4974 k = 0.1607 0.1607 0.3099 ( 12544 PWs) bands (ev): -47.7630 -47.7630 -47.7599 -47.7599 -41.1579 -41.1579 -41.1353 -41.1353 -19.8231 -19.8231 -19.8068 -19.8068 -19.6511 -19.6511 -19.6418 -19.6418 -19.6295 -19.6295 -19.6177 -19.6177 -7.7141 -7.7141 -7.5524 -7.5524 0.9017 0.9017 1.2621 1.2621 1.7735 1.7735 2.3445 2.3445 2.4634 2.4634 2.4764 2.4764 7.6570 7.6570 8.3010 8.3010 8.8682 8.8682 9.4484 9.4484 k = 0.1518 0.1518 0.3099 ( 12532 PWs) bands (ev): -47.7630 -47.7630 -47.7598 -47.7598 -41.1583 -41.1583 -41.1350 -41.1350 -19.8232 -19.8232 -19.8063 -19.8063 -19.6511 -19.6511 -19.6416 -19.6416 -19.6296 -19.6296 -19.6174 -19.6174 -7.7250 -7.7250 -7.5596 -7.5596 0.9346 0.9346 1.2772 1.2772 1.7975 1.7975 2.3836 2.3836 2.4480 2.4480 2.5021 2.5021 7.6495 7.6495 8.2510 8.2510 8.7977 8.7977 9.3965 9.3965 k = 0.1429 0.1429 0.3099 ( 12538 PWs) bands (ev): -47.7631 -47.7631 -47.7598 -47.7598 -41.1586 -41.1586 -41.1347 -41.1347 -19.8233 -19.8233 -19.8060 -19.8060 -19.6512 -19.6512 -19.6414 -19.6414 -19.6296 -19.6296 -19.6171 -19.6171 -7.7354 -7.7354 -7.5665 -7.5665 0.9692 0.9692 1.2915 1.2915 1.8207 1.8207 2.4092 2.4092 2.4422 2.4422 2.5291 2.5291 7.6277 7.6277 8.2203 8.2203 8.7242 8.7242 9.3426 9.3426 k = 0.1339 0.1339 0.3099 ( 12542 PWs) bands (ev): -47.7632 -47.7632 -47.7598 -47.7598 -41.1590 -41.1590 -41.1344 -41.1344 -19.8233 -19.8233 -19.8056 -19.8056 -19.6512 -19.6512 -19.6412 -19.6412 -19.6297 -19.6297 -19.6168 -19.6168 -7.7453 -7.7453 -7.5732 -7.5732 1.0053 1.0053 1.3049 1.3049 1.8432 1.8432 2.3968 2.3968 2.4711 2.4711 2.5566 2.5566 7.5913 7.5913 8.2092 8.2092 8.6490 8.6490 9.2878 9.2878 k = 0.1250 0.1250 0.3099 ( 12538 PWs) bands (ev): -47.7632 -47.7632 -47.7597 -47.7597 -41.1593 -41.1593 -41.1341 -41.1341 -19.8234 -19.8234 -19.8052 -19.8052 -19.6512 -19.6512 -19.6410 -19.6410 -19.6297 -19.6297 -19.6165 -19.6165 -7.7548 -7.7548 -7.5797 -7.5797 1.0428 1.0428 1.3174 1.3174 1.8648 1.8648 2.3743 2.3743 2.5070 2.5070 2.5844 2.5844 7.5434 7.5434 8.2148 8.2148 8.5735 8.5735 9.2327 9.2327 k = 0.1161 0.1161 0.3099 ( 12544 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1596 -41.1596 -41.1338 -41.1338 -19.8235 -19.8235 -19.8049 -19.8049 -19.6513 -19.6513 -19.6408 -19.6408 -19.6298 -19.6298 -19.6162 -19.6162 -7.7637 -7.7637 -7.5858 -7.5858 1.0814 1.0814 1.3290 1.3290 1.8854 1.8854 2.3490 2.3490 2.5423 2.5423 2.6122 2.6122 7.4881 7.4881 8.2330 8.2330 8.4989 8.4989 9.1783 9.1783 k = 0.1071 0.1071 0.3099 ( 12548 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1598 -41.1598 -41.1335 -41.1335 -19.8236 -19.8236 -19.8046 -19.8046 -19.6513 -19.6513 -19.6405 -19.6405 -19.6299 -19.6299 -19.6159 -19.6159 -7.7721 -7.7721 -7.5916 -7.5916 1.1209 1.1209 1.3396 1.3396 1.9049 1.9049 2.3219 2.3219 2.5761 2.5761 2.6399 2.6399 7.4292 7.4292 8.2597 8.2597 8.4262 8.4262 9.1251 9.1251 k = 0.0982 0.0982 0.3099 ( 12564 PWs) bands (ev): -47.7633 -47.7633 -47.7597 -47.7597 -41.1601 -41.1601 -41.1333 -41.1333 -19.8236 -19.8236 -19.8043 -19.8043 -19.6514 -19.6514 -19.6403 -19.6403 -19.6301 -19.6301 -19.6157 -19.6157 -7.7800 -7.7800 -7.5971 -7.5971 1.1611 1.1611 1.3493 1.3493 1.9232 1.9232 2.2934 2.2934 2.6079 2.6079 2.6672 2.6672 7.3698 7.3698 8.2916 8.2916 8.3565 8.3565 9.0739 9.0739 k = 0.0893 0.0893 0.3099 ( 12564 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1604 -41.1604 -41.1331 -41.1331 -19.8237 -19.8237 -19.8040 -19.8040 -19.6514 -19.6514 -19.6400 -19.6400 -19.6302 -19.6302 -19.6154 -19.6154 -7.7872 -7.7872 -7.6021 -7.6021 1.2017 1.2017 1.3581 1.3581 1.9402 1.9402 2.2638 2.2638 2.6376 2.6376 2.6937 2.6937 7.3118 7.3118 8.2889 8.2889 8.3281 8.3281 9.0251 9.0251 k = 0.0804 0.0804 0.3099 ( 12566 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1606 -41.1606 -41.1329 -41.1329 -19.8238 -19.8238 -19.8037 -19.8037 -19.6515 -19.6515 -19.6398 -19.6398 -19.6303 -19.6303 -19.6152 -19.6152 -7.7938 -7.7938 -7.6068 -7.6068 1.2422 1.2422 1.3659 1.3659 1.9558 1.9558 2.2335 2.2335 2.6651 2.6651 2.7191 2.7191 7.2568 7.2568 8.2272 8.2272 8.3642 8.3642 8.9795 8.9795 k = 0.0714 0.0714 0.3099 ( 12574 PWs) bands (ev): -47.7634 -47.7634 -47.7596 -47.7596 -41.1608 -41.1608 -41.1327 -41.1327 -19.8238 -19.8238 -19.8035 -19.8035 -19.6515 -19.6515 -19.6395 -19.6395 -19.6305 -19.6305 -19.6150 -19.6150 -7.7998 -7.7998 -7.6110 -7.6110 1.2823 1.2823 1.3728 1.3728 1.9700 1.9700 2.2029 2.2029 2.6902 2.6902 2.7431 2.7431 7.2058 7.2058 8.1699 8.1699 8.4007 8.4007 8.9373 8.9373 k = 0.0625 0.0625 0.3099 ( 12554 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1610 -41.1610 -41.1325 -41.1325 -19.8239 -19.8239 -19.8033 -19.8033 -19.6516 -19.6516 -19.6393 -19.6393 -19.6306 -19.6306 -19.6148 -19.6148 -7.8051 -7.8051 -7.6148 -7.6148 1.3213 1.3213 1.3790 1.3790 1.9824 1.9824 2.1723 2.1723 2.7128 2.7128 2.7651 2.7651 7.1595 7.1595 8.1179 8.1179 8.4360 8.4360 8.8991 8.8991 k = 0.0536 0.0536 0.3099 ( 12558 PWs) bands (ev): -47.7635 -47.7635 -47.7596 -47.7596 -41.1611 -41.1611 -41.1324 -41.1324 -19.8239 -19.8239 -19.8031 -19.8031 -19.6516 -19.6516 -19.6391 -19.6391 -19.6307 -19.6307 -19.6146 -19.6146 -7.8098 -7.8098 -7.6181 -7.6181 1.3582 1.3582 1.3849 1.3849 1.9931 1.9931 2.1427 2.1427 2.7327 2.7327 2.7849 2.7849 7.1185 7.1185 8.0719 8.0719 8.4689 8.4689 8.8653 8.8653 k = 0.0446 0.0446 0.3099 ( 12558 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1612 -41.1612 -41.1323 -41.1323 -19.8239 -19.8239 -19.8030 -19.8030 -19.6517 -19.6517 -19.6389 -19.6389 -19.6308 -19.6308 -19.6145 -19.6145 -7.8137 -7.8137 -7.6210 -7.6210 1.3841 1.3841 1.3985 1.3985 2.0017 2.0017 2.1147 2.1147 2.7499 2.7499 2.8023 2.8023 7.0833 7.0833 8.0321 8.0321 8.4986 8.4986 8.8360 8.8360 k = 0.0357 0.0357 0.3099 ( 12548 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1613 -41.1613 -41.1322 -41.1322 -19.8239 -19.8239 -19.8028 -19.8028 -19.6517 -19.6517 -19.6387 -19.6387 -19.6309 -19.6309 -19.6144 -19.6144 -7.8170 -7.8170 -7.6233 -7.6233 1.3900 1.3900 1.4279 1.4279 2.0079 2.0079 2.0899 2.0899 2.7642 2.7642 2.8168 2.8168 7.0540 7.0540 7.9991 7.9991 8.5243 8.5243 8.8117 8.8117 k = 0.0268 0.0268 0.3099 ( 12560 PWs) bands (ev): -47.7635 -47.7635 -47.7595 -47.7595 -41.1614 -41.1614 -41.1321 -41.1321 -19.8240 -19.8240 -19.8027 -19.8027 -19.6517 -19.6517 -19.6386 -19.6386 -19.6310 -19.6310 -19.6143 -19.6143 -7.8195 -7.8195 -7.6251 -7.6251 1.3930 1.3930 1.4547 1.4547 2.0110 2.0110 2.0700 2.0700 2.7754 2.7754 2.8283 2.8283 7.0311 7.0311 7.9731 7.9731 8.5451 8.5451 8.7926 8.7926 k = 0.0179 0.0179 0.3099 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8027 -19.8027 -19.6518 -19.6518 -19.6385 -19.6385 -19.6311 -19.6311 -19.6142 -19.6142 -7.8213 -7.8213 -7.6265 -7.6265 1.3950 1.3950 1.4756 1.4756 2.0104 2.0104 2.0570 2.0570 2.7836 2.7836 2.8366 2.8366 7.0145 7.0145 7.9543 7.9543 8.5604 8.5604 8.7788 8.7788 k = 0.0089 0.0089 0.3099 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6385 -19.6385 -19.6311 -19.6311 -19.6142 -19.6142 -7.8224 -7.8224 -7.6272 -7.6272 1.3962 1.3962 1.4890 1.4890 2.0076 2.0076 2.0509 2.0509 2.7885 2.7885 2.8417 2.8417 7.0046 7.0046 7.9430 7.9430 8.5698 8.5698 8.7705 8.7705 k = 0.0000 0.0000 0.3099 ( 12552 PWs) bands (ev): -47.7636 -47.7636 -47.7595 -47.7595 -41.1615 -41.1615 -41.1320 -41.1320 -19.8240 -19.8240 -19.8026 -19.8026 -19.6518 -19.6518 -19.6384 -19.6384 -19.6311 -19.6311 -19.6142 -19.6142 -7.8228 -7.8228 -7.6275 -7.6275 1.3966 1.3966 1.4936 1.4936 2.0061 2.0061 2.0493 2.0493 2.7901 2.7901 2.8434 2.8434 7.0012 7.0012 7.9392 7.9392 8.5729 8.5729 8.7677 8.7677 k = 0.0000 0.5000-0.0000 ( 12528 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5211 -7.5211 -7.5211 -7.5211 0.6043 0.6043 0.6043 0.6043 1.7563 1.7563 1.7563 1.7563 2.6337 2.6337 2.6337 2.6337 8.6481 8.6481 8.6481 8.6481 9.4254 9.4254 9.4254 9.4254 k = 0.0000 0.5000 0.0124 ( 12532 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5211 -7.5211 -7.5211 -7.5211 0.6023 0.6023 0.6023 0.6023 1.7591 1.7591 1.7591 1.7591 2.6337 2.6337 2.6337 2.6337 8.6425 8.6425 8.6425 8.6425 9.4233 9.4233 9.4233 9.4233 k = 0.0000 0.5000 0.0248 ( 12520 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5210 -7.5210 -7.5210 -7.5210 0.5964 0.5964 0.5964 0.5964 1.7672 1.7672 1.7672 1.7672 2.6338 2.6338 2.6338 2.6338 8.6259 8.6259 8.6259 8.6259 9.4176 9.4176 9.4176 9.4176 k = 0.0000 0.5000 0.0372 ( 12528 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5208 -7.5208 -7.5208 -7.5208 0.5869 0.5869 0.5869 0.5869 1.7805 1.7805 1.7805 1.7805 2.6339 2.6339 2.6339 2.6339 8.5990 8.5990 8.5990 8.5990 9.4098 9.4098 9.4098 9.4098 k = 0.0000 0.5000 0.0496 ( 12528 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5206 -7.5206 -7.5206 -7.5206 0.5740 0.5740 0.5740 0.5740 1.7986 1.7986 1.7986 1.7986 2.6340 2.6340 2.6340 2.6340 8.5630 8.5630 8.5630 8.5630 9.4017 9.4017 9.4017 9.4017 k = 0.0000 0.5000 0.0620 ( 12524 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5203 -7.5203 -7.5203 -7.5203 0.5583 0.5583 0.5583 0.5583 1.8208 1.8208 1.8208 1.8208 2.6341 2.6341 2.6341 2.6341 8.5191 8.5191 8.5191 8.5191 9.3946 9.3946 9.3946 9.3946 k = 0.0000 0.5000 0.0744 ( 12520 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5200 -7.5200 -7.5200 -7.5200 0.5403 0.5403 0.5403 0.5403 1.8466 1.8466 1.8466 1.8466 2.6343 2.6343 2.6343 2.6343 8.4690 8.4690 8.4690 8.4690 9.3894 9.3894 9.3894 9.3894 k = 0.0000 0.5000 0.0868 ( 12524 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5197 -7.5197 -7.5197 -7.5197 0.5205 0.5205 0.5205 0.5205 1.8755 1.8755 1.8755 1.8755 2.6345 2.6345 2.6345 2.6345 8.4142 8.4142 8.4142 8.4142 9.3863 9.3863 9.3863 9.3863 k = 0.0000 0.5000 0.0992 ( 12520 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6476 -19.6476 -19.6476 -19.6476 -19.6249 -19.6249 -19.6249 -19.6249 -7.5193 -7.5193 -7.5193 -7.5193 0.4994 0.4994 0.4994 0.4994 1.9067 1.9067 1.9067 1.9067 2.6347 2.6347 2.6347 2.6347 8.3560 8.3560 8.3560 8.3560 9.3854 9.3854 9.3854 9.3854 k = 0.0000 0.5000 0.1116 ( 12518 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6249 -19.6249 -19.6249 -19.6249 -7.5189 -7.5189 -7.5189 -7.5189 0.4774 0.4774 0.4774 0.4774 1.9397 1.9397 1.9397 1.9397 2.6350 2.6350 2.6350 2.6350 8.2959 8.2959 8.2959 8.2959 9.3865 9.3865 9.3865 9.3865 k = 0.0000 0.5000 0.1240 ( 12516 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6249 -19.6249 -19.6249 -19.6249 -7.5184 -7.5184 -7.5184 -7.5184 0.4550 0.4550 0.4550 0.4550 1.9738 1.9738 1.9738 1.9738 2.6352 2.6352 2.6352 2.6352 8.2348 8.2348 8.2348 8.2348 9.3893 9.3893 9.3893 9.3893 k = 0.0000 0.5000 0.1364 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6249 -19.6249 -19.6249 -19.6249 -7.5179 -7.5179 -7.5179 -7.5179 0.4327 0.4327 0.4327 0.4327 2.0086 2.0086 2.0086 2.0086 2.6355 2.6355 2.6355 2.6355 8.1739 8.1739 8.1739 8.1739 9.3936 9.3936 9.3936 9.3936 k = 0.0000 0.5000 0.1488 ( 12556 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5174 -7.5174 -7.5174 -7.5174 0.4106 0.4106 0.4106 0.4106 2.0435 2.0435 2.0435 2.0435 2.6358 2.6358 2.6358 2.6358 8.1140 8.1140 8.1140 8.1140 9.3990 9.3990 9.3990 9.3990 k = 0.0000 0.5000 0.1612 ( 12564 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5169 -7.5169 -7.5169 -7.5169 0.3892 0.3892 0.3892 0.3892 2.0780 2.0780 2.0780 2.0780 2.6361 2.6361 2.6361 2.6361 8.0558 8.0558 8.0558 8.0558 9.4053 9.4053 9.4053 9.4053 k = 0.0000 0.5000 0.1736 ( 12562 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5165 -7.5165 -7.5165 -7.5165 0.3687 0.3687 0.3687 0.3687 2.1116 2.1116 2.1116 2.1116 2.6364 2.6364 2.6364 2.6364 7.9999 7.9999 7.9999 7.9999 9.4123 9.4123 9.4123 9.4123 k = 0.0000 0.5000 0.1860 ( 12552 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5160 -7.5160 -7.5160 -7.5160 0.3493 0.3493 0.3493 0.3493 2.1440 2.1440 2.1440 2.1440 2.6367 2.6367 2.6367 2.6367 7.9470 7.9470 7.9470 7.9470 9.4197 9.4197 9.4197 9.4197 k = 0.0000 0.5000 0.1984 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5155 -7.5155 -7.5155 -7.5155 0.3312 0.3312 0.3312 0.3312 2.1746 2.1746 2.1746 2.1746 2.6370 2.6370 2.6370 2.6370 7.8976 7.8976 7.8976 7.8976 9.4271 9.4271 9.4271 9.4271 k = 0.0000 0.5000 0.2108 ( 12550 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5151 -7.5151 -7.5151 -7.5151 0.3146 0.3146 0.3146 0.3146 2.2031 2.2031 2.2031 2.2031 2.6373 2.6373 2.6373 2.6373 7.8521 7.8521 7.8521 7.8521 9.4345 9.4345 9.4345 9.4345 k = 0.0000 0.5000 0.2232 ( 12550 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8171 -19.8171 -19.8171 -19.8171 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5147 -7.5147 -7.5147 -7.5147 0.2997 0.2997 0.2997 0.2997 2.2292 2.2292 2.2292 2.2292 2.6376 2.6376 2.6376 2.6376 7.8110 7.8110 7.8110 7.8110 9.4416 9.4416 9.4416 9.4416 k = 0.0000 0.5000 0.2355 ( 12538 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6477 -19.6477 -19.6477 -19.6477 -19.6248 -19.6248 -19.6248 -19.6248 -7.5143 -7.5143 -7.5143 -7.5143 0.2865 0.2865 0.2865 0.2865 2.2524 2.2524 2.2524 2.2524 2.6378 2.6378 2.6378 2.6378 7.7746 7.7746 7.7746 7.7746 9.4482 9.4482 9.4482 9.4482 k = 0.0000 0.5000 0.2479 ( 12542 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5140 -7.5140 -7.5140 -7.5140 0.2752 0.2752 0.2752 0.2752 2.2726 2.2726 2.2726 2.2726 2.6381 2.6381 2.6381 2.6381 7.7432 7.7432 7.7432 7.7432 9.4541 9.4541 9.4541 9.4541 k = 0.0000 0.5000 0.2603 ( 12540 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5138 -7.5138 -7.5138 -7.5138 0.2658 0.2658 0.2658 0.2658 2.2895 2.2895 2.2895 2.2895 2.6383 2.6383 2.6383 2.6383 7.7171 7.7171 7.7171 7.7171 9.4592 9.4592 9.4592 9.4592 k = 0.0000 0.5000 0.2727 ( 12538 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5135 -7.5135 -7.5135 -7.5135 0.2585 0.2585 0.2585 0.2585 2.3029 2.3029 2.3029 2.3029 2.6385 2.6385 2.6385 2.6385 7.6966 7.6966 7.6966 7.6966 9.4633 9.4633 9.4633 9.4633 k = 0.0000 0.5000 0.2851 ( 12544 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5134 -7.5134 -7.5134 -7.5134 0.2532 0.2532 0.2532 0.2532 2.3126 2.3126 2.3126 2.3126 2.6386 2.6386 2.6386 2.6386 7.6818 7.6818 7.6818 7.6818 9.4663 9.4663 9.4663 9.4663 k = 0.0000 0.5000 0.2975 ( 12540 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5133 -7.5133 -7.5133 -7.5133 0.2500 0.2500 0.2500 0.2500 2.3184 2.3184 2.3184 2.3184 2.6387 2.6387 2.6387 2.6387 7.6729 7.6729 7.6729 7.6729 9.4681 9.4681 9.4681 9.4681 k = 0.0000 0.5000 0.3099 ( 12548 PWs) bands (ev): -47.7613 -47.7613 -47.7613 -47.7613 -41.1465 -41.1465 -41.1465 -41.1465 -19.8172 -19.8172 -19.8172 -19.8172 -19.6478 -19.6478 -19.6478 -19.6478 -19.6248 -19.6248 -19.6248 -19.6248 -7.5133 -7.5133 -7.5133 -7.5133 0.2489 0.2489 0.2489 0.2489 2.3204 2.3204 2.3204 2.3204 2.6387 2.6387 2.6387 2.6387 7.6699 7.6699 7.6699 7.6699 9.4688 9.4688 9.4688 9.4688 k = 0.5000 0.5000-0.0000 ( 12532 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3700 -7.3700 -7.3700 -7.3700 0.8694 0.8694 0.8694 0.8694 1.5828 1.5828 1.5828 1.5828 1.7273 1.7273 1.7273 1.7273 6.7960 6.7960 6.7960 6.7960 8.3293 8.3293 8.3293 8.3293 k = 0.5000 0.5000 0.0124 ( 12524 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3700 -7.3700 -7.3700 -7.3700 0.8699 0.8699 0.8699 0.8699 1.5820 1.5820 1.5820 1.5820 1.7266 1.7266 1.7266 1.7266 6.7989 6.7989 6.7989 6.7989 8.3317 8.3317 8.3317 8.3317 k = 0.5000 0.5000 0.0248 ( 12524 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3699 -7.3699 -7.3699 -7.3699 0.8715 0.8715 0.8715 0.8715 1.5795 1.5795 1.5795 1.5795 1.7247 1.7247 1.7247 1.7247 6.8075 6.8075 6.8075 6.8075 8.3391 8.3391 8.3391 8.3391 k = 0.5000 0.5000 0.0372 ( 12552 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3698 -7.3698 -7.3698 -7.3698 0.8742 0.8742 0.8742 0.8742 1.5755 1.5755 1.5755 1.5755 1.7216 1.7216 1.7216 1.7216 6.8219 6.8219 6.8219 6.8219 8.3513 8.3513 8.3513 8.3513 k = 0.5000 0.5000 0.0496 ( 12560 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3696 -7.3696 -7.3696 -7.3696 0.8779 0.8779 0.8779 0.8779 1.5698 1.5698 1.5698 1.5698 1.7173 1.7173 1.7173 1.7173 6.8418 6.8418 6.8418 6.8418 8.3683 8.3683 8.3683 8.3683 k = 0.5000 0.5000 0.0620 ( 12576 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3694 -7.3694 -7.3694 -7.3694 0.8827 0.8827 0.8827 0.8827 1.5626 1.5626 1.5626 1.5626 1.7120 1.7120 1.7120 1.7120 6.8671 6.8671 6.8671 6.8671 8.3900 8.3900 8.3900 8.3900 k = 0.5000 0.5000 0.0744 ( 12556 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3691 -7.3691 -7.3691 -7.3691 0.8885 0.8885 0.8885 0.8885 1.5539 1.5539 1.5539 1.5539 1.7056 1.7056 1.7056 1.7056 6.8976 6.8976 6.8976 6.8976 8.4163 8.4163 8.4163 8.4163 k = 0.5000 0.5000 0.0868 ( 12556 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3688 -7.3688 -7.3688 -7.3688 0.8954 0.8954 0.8954 0.8954 1.5438 1.5438 1.5438 1.5438 1.6983 1.6983 1.6983 1.6983 6.9331 6.9331 6.9331 6.9331 8.4469 8.4469 8.4469 8.4469 k = 0.5000 0.5000 0.0992 ( 12556 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3684 -7.3684 -7.3684 -7.3684 0.9032 0.9032 0.9032 0.9032 1.5324 1.5324 1.5324 1.5324 1.6904 1.6904 1.6904 1.6904 6.9731 6.9731 6.9731 6.9731 8.4817 8.4817 8.4817 8.4817 k = 0.5000 0.5000 0.1116 ( 12532 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3680 -7.3680 -7.3680 -7.3680 0.9120 0.9120 0.9120 0.9120 1.5197 1.5197 1.5197 1.5197 1.6817 1.6817 1.6817 1.6817 7.0174 7.0174 7.0174 7.0174 8.5204 8.5204 8.5204 8.5204 k = 0.5000 0.5000 0.1240 ( 12548 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8186 -19.8186 -19.8186 -19.8186 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3676 -7.3676 -7.3676 -7.3676 0.9217 0.9217 0.9217 0.9217 1.5059 1.5059 1.5059 1.5059 1.6727 1.6727 1.6727 1.6727 7.0655 7.0655 7.0655 7.0655 8.5626 8.5626 8.5626 8.5626 k = 0.5000 0.5000 0.1364 ( 12552 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3672 -7.3672 -7.3672 -7.3672 0.9323 0.9323 0.9323 0.9323 1.4910 1.4910 1.4910 1.4910 1.6633 1.6633 1.6633 1.6633 7.1169 7.1169 7.1169 7.1169 8.6082 8.6082 8.6082 8.6082 k = 0.5000 0.5000 0.1488 ( 12528 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6499 -19.6499 -19.6499 -19.6499 -19.6275 -19.6275 -19.6275 -19.6275 -7.3668 -7.3668 -7.3668 -7.3668 0.9438 0.9438 0.9438 0.9438 1.4752 1.4752 1.4752 1.4752 1.6538 1.6538 1.6538 1.6538 7.1711 7.1711 7.1711 7.1711 8.6566 8.6566 8.6566 8.6566 k = 0.5000 0.5000 0.1612 ( 12528 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3663 -7.3663 -7.3663 -7.3663 0.9560 0.9560 0.9560 0.9560 1.4586 1.4586 1.4586 1.4586 1.6442 1.6442 1.6442 1.6442 7.2275 7.2275 7.2275 7.2275 8.7073 8.7073 8.7073 8.7073 k = 0.5000 0.5000 0.1736 ( 12512 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3659 -7.3659 -7.3659 -7.3659 0.9690 0.9690 0.9690 0.9690 1.4413 1.4413 1.4413 1.4413 1.6348 1.6348 1.6348 1.6348 7.2853 7.2853 7.2853 7.2853 8.7599 8.7599 8.7599 8.7599 k = 0.5000 0.5000 0.1860 ( 12504 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3654 -7.3654 -7.3654 -7.3654 0.9826 0.9826 0.9826 0.9826 1.4235 1.4235 1.4235 1.4235 1.6257 1.6257 1.6257 1.6257 7.3439 7.3439 7.3439 7.3439 8.8137 8.8137 8.8137 8.8137 k = 0.5000 0.5000 0.1984 ( 12512 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3650 -7.3650 -7.3650 -7.3650 0.9967 0.9967 0.9967 0.9967 1.4054 1.4054 1.4054 1.4054 1.6170 1.6170 1.6170 1.6170 7.4022 7.4022 7.4022 7.4022 8.8678 8.8678 8.8678 8.8678 k = 0.5000 0.5000 0.2108 ( 12512 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3647 -7.3647 -7.3647 -7.3647 1.0112 1.0112 1.0112 1.0112 1.3871 1.3871 1.3871 1.3871 1.6089 1.6089 1.6089 1.6089 7.4593 7.4593 7.4593 7.4593 8.9215 8.9215 8.9215 8.9215 k = 0.5000 0.5000 0.2232 ( 12516 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3643 -7.3643 -7.3643 -7.3643 1.0260 1.0260 1.0260 1.0260 1.3689 1.3689 1.3689 1.3689 1.6014 1.6014 1.6014 1.6014 7.5141 7.5141 7.5141 7.5141 8.9737 8.9737 8.9737 8.9737 k = 0.5000 0.5000 0.2355 ( 12516 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3640 -7.3640 -7.3640 -7.3640 1.0407 1.0407 1.0407 1.0407 1.3510 1.3510 1.3510 1.3510 1.5947 1.5947 1.5947 1.5947 7.5654 7.5654 7.5654 7.5654 9.0232 9.0232 9.0232 9.0232 k = 0.5000 0.5000 0.2479 ( 12516 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3637 -7.3637 -7.3637 -7.3637 1.0551 1.0551 1.0551 1.0551 1.3339 1.3339 1.3339 1.3339 1.5889 1.5889 1.5889 1.5889 7.6120 7.6120 7.6120 7.6120 9.0688 9.0688 9.0688 9.0688 k = 0.5000 0.5000 0.2603 ( 12516 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3635 -7.3635 -7.3635 -7.3635 1.0687 1.0687 1.0687 1.0687 1.3180 1.3180 1.3180 1.3180 1.5840 1.5840 1.5840 1.5840 7.6524 7.6524 7.6524 7.6524 9.1088 9.1088 9.1088 9.1088 k = 0.5000 0.5000 0.2727 ( 12524 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3633 -7.3633 -7.3633 -7.3633 1.0809 1.0809 1.0809 1.0809 1.3040 1.3040 1.3040 1.3040 1.5802 1.5802 1.5802 1.5802 7.6856 7.6856 7.6856 7.6856 9.1421 9.1421 9.1421 9.1421 k = 0.5000 0.5000 0.2851 ( 12540 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3631 -7.3631 -7.3631 -7.3631 1.0907 1.0907 1.0907 1.0907 1.2928 1.2928 1.2928 1.2928 1.5774 1.5774 1.5774 1.5774 7.7102 7.7102 7.7102 7.7102 9.1670 9.1670 9.1670 9.1670 k = 0.5000 0.5000 0.2975 ( 12536 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3631 -7.3631 -7.3631 -7.3631 1.0973 1.0973 1.0973 1.0973 1.2855 1.2855 1.2855 1.2855 1.5757 1.5757 1.5757 1.5757 7.7254 7.7254 7.7254 7.7254 9.1825 9.1825 9.1825 9.1825 k = 0.5000 0.5000 0.3099 ( 12544 PWs) bands (ev): -47.7611 -47.7611 -47.7611 -47.7611 -41.1462 -41.1462 -41.1462 -41.1462 -19.8187 -19.8187 -19.8187 -19.8187 -19.6500 -19.6500 -19.6500 -19.6500 -19.6275 -19.6275 -19.6275 -19.6275 -7.3630 -7.3630 -7.3630 -7.3630 1.0996 1.0996 1.0996 1.0996 1.2829 1.2829 1.2829 1.2829 1.5751 1.5751 1.5751 1.5751 7.7305 7.7305 7.7305 7.7305 9.1877 9.1877 9.1877 9.1877 Writing output data file NaLiS.save init_run : 0.31s CPU 0.42s WALL ( 1 calls) electrons : 232.34s CPU 235.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 232.33s CPU 235.03s 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 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.18s WALL ( 356 calls) cegterg : 207.43s CPU 209.17s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 150.14s CPU 151.34s WALL ( 7520 calls) s_psi : 6.11s CPU 5.97s WALL ( 7520 calls) g_psi : 0.58s CPU 0.57s WALL ( 6702 calls) cdiaghg : 38.53s CPU 38.59s WALL ( 7058 calls) cegterg:over : 10.89s CPU 11.10s WALL ( 6702 calls) cegterg:upda : 10.96s CPU 11.35s WALL ( 6702 calls) cegterg:last : 5.67s CPU 5.76s WALL ( 1174 calls) cdiaghg:chol : 2.43s CPU 2.30s WALL ( 7058 calls) cdiaghg:inve : 1.27s CPU 1.24s WALL ( 7058 calls) cdiaghg:para : 2.31s CPU 2.20s WALL ( 14116 calls) Called by h_psi: h_psi:vloc : 135.70s CPU 136.78s WALL ( 7520 calls) h_psi:vnl : 13.85s CPU 13.98s WALL ( 7520 calls) add_vuspsi : 6.49s CPU 6.66s WALL ( 7520 calls) General routines calbec : 7.34s CPU 7.30s WALL ( 7520 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 128.73s CPU 130.03s WALL ( 663320 calls) davcio : 0.45s CPU 0.60s WALL ( 712 calls) Parallel routines fft_scatter : 40.27s CPU 40.52s WALL ( 663335 calls) PWSCF : 4m23.68s CPU 4m40.64s WALL This run was terminated on: 20:38:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=