Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:53: 0 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: ./NaLi5N2.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 51 51 14 2291 2291 342 Max 52 52 15 2294 2294 347 Sum 1853 1853 517 82519 82519 12407 bravais-lattice index = 14 lattice parameter (alat) = 7.4928 a.u. unit-cell volume = 583.9307 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 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)= 7.492764 celldm(2)= 1.000000 celldm(3)= 1.388146 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 1.388146 ) 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 0.720385 ) PseudoPot. # 1 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. # 2 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 PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027027 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027027 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0027027 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0027027 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027027 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027027 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0027027 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027027 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027027 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0027027 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027027 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0027027 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027027 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0027027 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027027 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0027027 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0027027 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0027027 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0027027 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027027 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0027027 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027027 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027027 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027027 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0027027 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027027 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027027 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0027027 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027027 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0027027 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0027027 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0027027 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0027027 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027027 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027027 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027027 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0027027 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0027027 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027027 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027027 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027027 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027027 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027027 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027027 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027027 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027027 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027027 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027027 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0027027 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027027 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027027 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027027 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027027 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027027 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 84) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0027027 k( 85) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0027027 k( 86) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0027027 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0027027 k( 88) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0027027 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0027027 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027027 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0027027 k( 92) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0027027 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0027027 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027027 k( 95) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0027027 k( 96) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0027027 k( 97) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0027027 k( 98) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0027027 k( 99) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0027027 k( 100) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0027027 k( 101) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0027027 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027027 k( 103) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0027027 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027027 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0027027 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0027027 k( 107) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0027027 k( 108) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0027027 k( 109) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0027027 k( 110) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0027027 k( 111) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0027027 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027027 k( 113) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0027027 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0027027 k( 115) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0027027 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027027 k( 117) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0027027 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027027 k( 119) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0027027 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027027 k( 121) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027027 k( 122) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0027027 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0027027 k( 125) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0027027 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027027 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0027027 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027027 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0027027 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027027 k( 131) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0027027 k( 132) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0027027 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027027 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027027 k( 135) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0027027 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0027027 k( 138) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0027027 k( 139) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0027027 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 142) = ( 0.0000000 0.0000000 0.0124204), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0248409), wk = 0.0027027 k( 144) = ( 0.0000000 0.0000000 0.0372613), wk = 0.0027027 k( 145) = ( 0.0000000 0.0000000 0.0496817), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.0621022), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.0745226), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.0869430), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.0993635), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.1117839), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.1242043), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.1366248), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.1490452), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.1614656), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.1738861), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.1863065), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.1987269), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.2111474), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.2235678), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.2359882), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.2484087), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.2608291), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.2732495), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.2856700), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.2980904), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.3105108), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.3229313), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.3353517), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.3477722), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.3601926), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.3601926), wk = 0.0027027 k( 172) = ( 0.0000000 0.0125000 0.3601926), wk = 0.0027027 k( 173) = ( 0.0000000 0.0250000 0.3601926), wk = 0.0027027 k( 174) = ( 0.0000000 0.0375000 0.3601926), wk = 0.0027027 k( 175) = ( 0.0000000 0.0500000 0.3601926), wk = 0.0027027 k( 176) = ( 0.0000000 0.0625000 0.3601926), wk = 0.0027027 k( 177) = ( 0.0000000 0.0750000 0.3601926), wk = 0.0027027 k( 178) = ( 0.0000000 0.0875000 0.3601926), wk = 0.0027027 k( 179) = ( 0.0000000 0.1000000 0.3601926), wk = 0.0027027 k( 180) = ( 0.0000000 0.1125000 0.3601926), wk = 0.0027027 k( 181) = ( 0.0000000 0.1250000 0.3601926), wk = 0.0027027 k( 182) = ( 0.0000000 0.1375000 0.3601926), wk = 0.0027027 k( 183) = ( 0.0000000 0.1500000 0.3601926), wk = 0.0027027 k( 184) = ( 0.0000000 0.1625000 0.3601926), wk = 0.0027027 k( 185) = ( 0.0000000 0.1750000 0.3601926), wk = 0.0027027 k( 186) = ( 0.0000000 0.1875000 0.3601926), wk = 0.0027027 k( 187) = ( 0.0000000 0.2000000 0.3601926), wk = 0.0027027 k( 188) = ( 0.0000000 0.2125000 0.3601926), wk = 0.0027027 k( 189) = ( 0.0000000 0.2250000 0.3601926), wk = 0.0027027 k( 190) = ( 0.0000000 0.2375000 0.3601926), wk = 0.0027027 k( 191) = ( 0.0000000 0.2500000 0.3601926), wk = 0.0027027 k( 192) = ( 0.0000000 0.2625000 0.3601926), wk = 0.0027027 k( 193) = ( 0.0000000 0.2750000 0.3601926), wk = 0.0027027 k( 194) = ( 0.0000000 0.2875000 0.3601926), wk = 0.0027027 k( 195) = ( 0.0000000 0.3000000 0.3601926), wk = 0.0027027 k( 196) = ( 0.0000000 0.3125000 0.3601926), wk = 0.0027027 k( 197) = ( 0.0000000 0.3250000 0.3601926), wk = 0.0027027 k( 198) = ( 0.0000000 0.3375000 0.3601926), wk = 0.0027027 k( 199) = ( 0.0000000 0.3500000 0.3601926), wk = 0.0027027 k( 200) = ( 0.0000000 0.3625000 0.3601926), wk = 0.0027027 k( 201) = ( 0.0000000 0.3750000 0.3601926), wk = 0.0027027 k( 202) = ( 0.0000000 0.3875000 0.3601926), wk = 0.0027027 k( 203) = ( 0.0000000 0.4000000 0.3601926), wk = 0.0027027 k( 204) = ( 0.0000000 0.4125000 0.3601926), wk = 0.0027027 k( 205) = ( 0.0000000 0.4250000 0.3601926), wk = 0.0027027 k( 206) = ( 0.0000000 0.4375000 0.3601926), wk = 0.0027027 k( 207) = ( 0.0000000 0.4500000 0.3601926), wk = 0.0027027 k( 208) = ( 0.0000000 0.4625000 0.3601926), wk = 0.0027027 k( 209) = ( 0.0000000 0.4750000 0.3601926), wk = 0.0027027 k( 210) = ( 0.0000000 0.4875000 0.3601926), wk = 0.0027027 k( 211) = ( 0.0000000 0.5000000 0.3601926), wk = 0.0027027 k( 212) = ( 0.0000000 0.5000000 0.3601926), wk = 0.0027027 k( 213) = ( 0.0125000 0.5000000 0.3601926), wk = 0.0027027 k( 214) = ( 0.0250000 0.5000000 0.3601926), wk = 0.0027027 k( 215) = ( 0.0375000 0.5000000 0.3601926), wk = 0.0027027 k( 216) = ( 0.0500000 0.5000000 0.3601926), wk = 0.0027027 k( 217) = ( 0.0625000 0.5000000 0.3601926), wk = 0.0027027 k( 218) = ( 0.0750000 0.5000000 0.3601926), wk = 0.0027027 k( 219) = ( 0.0875000 0.5000000 0.3601926), wk = 0.0027027 k( 220) = ( 0.1000000 0.5000000 0.3601926), wk = 0.0027027 k( 221) = ( 0.1125000 0.5000000 0.3601926), wk = 0.0027027 k( 222) = ( 0.1250000 0.5000000 0.3601926), wk = 0.0027027 k( 223) = ( 0.1375000 0.5000000 0.3601926), wk = 0.0027027 k( 224) = ( 0.1500000 0.5000000 0.3601926), wk = 0.0027027 k( 225) = ( 0.1625000 0.5000000 0.3601926), wk = 0.0027027 k( 226) = ( 0.1750000 0.5000000 0.3601926), wk = 0.0027027 k( 227) = ( 0.1875000 0.5000000 0.3601926), wk = 0.0027027 k( 228) = ( 0.2000000 0.5000000 0.3601926), wk = 0.0027027 k( 229) = ( 0.2125000 0.5000000 0.3601926), wk = 0.0027027 k( 230) = ( 0.2250000 0.5000000 0.3601926), wk = 0.0027027 k( 231) = ( 0.2375000 0.5000000 0.3601926), wk = 0.0027027 k( 232) = ( 0.2500000 0.5000000 0.3601926), wk = 0.0027027 k( 233) = ( 0.2625000 0.5000000 0.3601926), wk = 0.0027027 k( 234) = ( 0.2750000 0.5000000 0.3601926), wk = 0.0027027 k( 235) = ( 0.2875000 0.5000000 0.3601926), wk = 0.0027027 k( 236) = ( 0.3000000 0.5000000 0.3601926), wk = 0.0027027 k( 237) = ( 0.3125000 0.5000000 0.3601926), wk = 0.0027027 k( 238) = ( 0.3250000 0.5000000 0.3601926), wk = 0.0027027 k( 239) = ( 0.3375000 0.5000000 0.3601926), wk = 0.0027027 k( 240) = ( 0.3500000 0.5000000 0.3601926), wk = 0.0027027 k( 241) = ( 0.3625000 0.5000000 0.3601926), wk = 0.0027027 k( 242) = ( 0.3750000 0.5000000 0.3601926), wk = 0.0027027 k( 243) = ( 0.3875000 0.5000000 0.3601926), wk = 0.0027027 k( 244) = ( 0.4000000 0.5000000 0.3601926), wk = 0.0027027 k( 245) = ( 0.4125000 0.5000000 0.3601926), wk = 0.0027027 k( 246) = ( 0.4250000 0.5000000 0.3601926), wk = 0.0027027 k( 247) = ( 0.4375000 0.5000000 0.3601926), wk = 0.0027027 k( 248) = ( 0.4500000 0.5000000 0.3601926), wk = 0.0027027 k( 249) = ( 0.4625000 0.5000000 0.3601926), wk = 0.0027027 k( 250) = ( 0.4750000 0.5000000 0.3601926), wk = 0.0027027 k( 251) = ( 0.4875000 0.5000000 0.3601926), wk = 0.0027027 k( 252) = ( 0.5000000 0.5000000 0.3601926), wk = 0.0027027 k( 253) = ( 0.5000000 0.5000000 0.3601926), wk = 0.0027027 k( 254) = ( 0.4912281 0.4912281 0.3601926), wk = 0.0027027 k( 255) = ( 0.4824561 0.4824561 0.3601926), wk = 0.0027027 k( 256) = ( 0.4736842 0.4736842 0.3601926), wk = 0.0027027 k( 257) = ( 0.4649123 0.4649123 0.3601926), wk = 0.0027027 k( 258) = ( 0.4561404 0.4561403 0.3601926), wk = 0.0027027 k( 259) = ( 0.4473684 0.4473684 0.3601926), wk = 0.0027027 k( 260) = ( 0.4385965 0.4385965 0.3601926), wk = 0.0027027 k( 261) = ( 0.4298246 0.4298246 0.3601926), wk = 0.0027027 k( 262) = ( 0.4210526 0.4210526 0.3601926), wk = 0.0027027 k( 263) = ( 0.4122807 0.4122807 0.3601926), wk = 0.0027027 k( 264) = ( 0.4035088 0.4035088 0.3601926), wk = 0.0027027 k( 265) = ( 0.3947368 0.3947368 0.3601926), wk = 0.0027027 k( 266) = ( 0.3859649 0.3859649 0.3601926), wk = 0.0027027 k( 267) = ( 0.3771930 0.3771930 0.3601926), wk = 0.0027027 k( 268) = ( 0.3684211 0.3684210 0.3601926), wk = 0.0027027 k( 269) = ( 0.3596491 0.3596491 0.3601926), wk = 0.0027027 k( 270) = ( 0.3508772 0.3508772 0.3601926), wk = 0.0027027 k( 271) = ( 0.3421053 0.3421053 0.3601926), wk = 0.0027027 k( 272) = ( 0.3333333 0.3333333 0.3601926), wk = 0.0027027 k( 273) = ( 0.3245614 0.3245614 0.3601926), wk = 0.0027027 k( 274) = ( 0.3157895 0.3157895 0.3601926), wk = 0.0027027 k( 275) = ( 0.3070175 0.3070175 0.3601926), wk = 0.0027027 k( 276) = ( 0.2982456 0.2982456 0.3601926), wk = 0.0027027 k( 277) = ( 0.2894737 0.2894737 0.3601926), wk = 0.0027027 k( 278) = ( 0.2807018 0.2807017 0.3601926), wk = 0.0027027 k( 279) = ( 0.2719298 0.2719298 0.3601926), wk = 0.0027027 k( 280) = ( 0.2631579 0.2631579 0.3601926), wk = 0.0027027 k( 281) = ( 0.2543860 0.2543860 0.3601926), wk = 0.0027027 k( 282) = ( 0.2456140 0.2456140 0.3601926), wk = 0.0027027 k( 283) = ( 0.2368421 0.2368421 0.3601926), wk = 0.0027027 k( 284) = ( 0.2280702 0.2280702 0.3601926), wk = 0.0027027 k( 285) = ( 0.2192983 0.2192982 0.3601926), wk = 0.0027027 k( 286) = ( 0.2105263 0.2105263 0.3601926), wk = 0.0027027 k( 287) = ( 0.2017544 0.2017544 0.3601926), wk = 0.0027027 k( 288) = ( 0.1929825 0.1929825 0.3601926), wk = 0.0027027 k( 289) = ( 0.1842105 0.1842105 0.3601926), wk = 0.0027027 k( 290) = ( 0.1754386 0.1754386 0.3601926), wk = 0.0027027 k( 291) = ( 0.1666667 0.1666667 0.3601926), wk = 0.0027027 k( 292) = ( 0.1578947 0.1578947 0.3601926), wk = 0.0027027 k( 293) = ( 0.1491228 0.1491228 0.3601926), wk = 0.0027027 k( 294) = ( 0.1403509 0.1403509 0.3601926), wk = 0.0027027 k( 295) = ( 0.1315790 0.1315790 0.3601926), wk = 0.0027027 k( 296) = ( 0.1228070 0.1228070 0.3601926), wk = 0.0027027 k( 297) = ( 0.1140351 0.1140351 0.3601926), wk = 0.0027027 k( 298) = ( 0.1052632 0.1052632 0.3601926), wk = 0.0027027 k( 299) = ( 0.0964912 0.0964912 0.3601926), wk = 0.0027027 k( 300) = ( 0.0877193 0.0877193 0.3601926), wk = 0.0027027 k( 301) = ( 0.0789474 0.0789474 0.3601926), wk = 0.0027027 k( 302) = ( 0.0701754 0.0701754 0.3601926), wk = 0.0027027 k( 303) = ( 0.0614035 0.0614035 0.3601926), wk = 0.0027027 k( 304) = ( 0.0526316 0.0526316 0.3601926), wk = 0.0027027 k( 305) = ( 0.0438597 0.0438596 0.3601926), wk = 0.0027027 k( 306) = ( 0.0350877 0.0350877 0.3601926), wk = 0.0027027 k( 307) = ( 0.0263158 0.0263158 0.3601926), wk = 0.0027027 k( 308) = ( 0.0175439 0.0175439 0.3601926), wk = 0.0027027 k( 309) = ( 0.0087719 0.0087719 0.3601926), wk = 0.0027027 k( 310) = ( 0.0000000 0.0000000 0.3601926), wk = 0.0027027 k( 311) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 312) = ( 0.0000000 0.5000000 0.0124204), wk = 0.0027027 k( 313) = ( 0.0000000 0.5000000 0.0248409), wk = 0.0027027 k( 314) = ( 0.0000000 0.5000000 0.0372613), wk = 0.0027027 k( 315) = ( 0.0000000 0.5000000 0.0496817), wk = 0.0027027 k( 316) = ( 0.0000000 0.5000000 0.0621022), wk = 0.0027027 k( 317) = ( 0.0000000 0.5000000 0.0745226), wk = 0.0027027 k( 318) = ( 0.0000000 0.5000000 0.0869430), wk = 0.0027027 k( 319) = ( 0.0000000 0.5000000 0.0993635), wk = 0.0027027 k( 320) = ( 0.0000000 0.5000000 0.1117839), wk = 0.0027027 k( 321) = ( 0.0000000 0.5000000 0.1242043), wk = 0.0027027 k( 322) = ( 0.0000000 0.5000000 0.1366248), wk = 0.0027027 k( 323) = ( 0.0000000 0.5000000 0.1490452), wk = 0.0027027 k( 324) = ( 0.0000000 0.5000000 0.1614656), wk = 0.0027027 k( 325) = ( 0.0000000 0.5000000 0.1738861), wk = 0.0027027 k( 326) = ( 0.0000000 0.5000000 0.1863065), wk = 0.0027027 k( 327) = ( 0.0000000 0.5000000 0.1987269), wk = 0.0027027 k( 328) = ( 0.0000000 0.5000000 0.2111474), wk = 0.0027027 k( 329) = ( 0.0000000 0.5000000 0.2235678), wk = 0.0027027 k( 330) = ( 0.0000000 0.5000000 0.2359882), wk = 0.0027027 k( 331) = ( 0.0000000 0.5000000 0.2484087), wk = 0.0027027 k( 332) = ( 0.0000000 0.5000000 0.2608291), wk = 0.0027027 k( 333) = ( 0.0000000 0.5000000 0.2732495), wk = 0.0027027 k( 334) = ( 0.0000000 0.5000000 0.2856700), wk = 0.0027027 k( 335) = ( 0.0000000 0.5000000 0.2980904), wk = 0.0027027 k( 336) = ( 0.0000000 0.5000000 0.3105108), wk = 0.0027027 k( 337) = ( 0.0000000 0.5000000 0.3229313), wk = 0.0027027 k( 338) = ( 0.0000000 0.5000000 0.3353517), wk = 0.0027027 k( 339) = ( 0.0000000 0.5000000 0.3477722), wk = 0.0027027 k( 340) = ( 0.0000000 0.5000000 0.3601926), wk = 0.0027027 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 342) = ( 0.5000000 0.5000000 0.0124204), wk = 0.0027027 k( 343) = ( 0.5000000 0.5000000 0.0248409), wk = 0.0027027 k( 344) = ( 0.5000000 0.5000000 0.0372613), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 0.0496817), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 0.0621022), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 0.0745226), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 0.0869430), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 0.0993635), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 0.1117839), wk = 0.0027027 k( 351) = ( 0.5000000 0.5000000 0.1242043), wk = 0.0027027 k( 352) = ( 0.5000000 0.5000000 0.1366248), wk = 0.0027027 k( 353) = ( 0.5000000 0.5000000 0.1490452), wk = 0.0027027 k( 354) = ( 0.5000000 0.5000000 0.1614656), wk = 0.0027027 k( 355) = ( 0.5000000 0.5000000 0.1738861), wk = 0.0027027 k( 356) = ( 0.5000000 0.5000000 0.1863065), wk = 0.0027027 k( 357) = ( 0.5000000 0.5000000 0.1987269), wk = 0.0027027 k( 358) = ( 0.5000000 0.5000000 0.2111474), wk = 0.0027027 k( 359) = ( 0.5000000 0.5000000 0.2235678), wk = 0.0027027 k( 360) = ( 0.5000000 0.5000000 0.2359882), wk = 0.0027027 k( 361) = ( 0.5000000 0.5000000 0.2484087), wk = 0.0027027 k( 362) = ( 0.5000000 0.5000000 0.2608291), wk = 0.0027027 k( 363) = ( 0.5000000 0.5000000 0.2732495), wk = 0.0027027 k( 364) = ( 0.5000000 0.5000000 0.2856700), wk = 0.0027027 k( 365) = ( 0.5000000 0.5000000 0.2980904), wk = 0.0027027 k( 366) = ( 0.5000000 0.5000000 0.3105108), wk = 0.0027027 k( 367) = ( 0.5000000 0.5000000 0.3229313), wk = 0.0027027 k( 368) = ( 0.5000000 0.5000000 0.3353517), wk = 0.0027027 k( 369) = ( 0.5000000 0.5000000 0.3477722), wk = 0.0027027 k( 370) = ( 0.5000000 0.5000000 0.3601926), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0027027 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0027027 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0027027 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0027027 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0027027 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0027027 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0027027 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0027027 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0027027 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0027027 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0027027 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027027 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027027 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0027027 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027027 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027027 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0027027 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027027 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0027027 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0027027 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027027 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0027027 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027027 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0027027 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0027027 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0027027 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0027027 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027027 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0027027 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027027 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027027 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027027 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0027027 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027027 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0027027 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0027027 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027027 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0027027 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0027027 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0027027 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0027027 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027027 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027027 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027027 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0027027 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0027027 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027027 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0027027 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027027 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027027 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027027 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027027 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027027 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027027 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027027 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027027 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027027 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0027027 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027027 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0027027 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027027 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027027 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027027 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0027027 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027027 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027027 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 84) = ( 0.4912281 0.4912281 0.0000000), wk = 0.0027027 k( 85) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0027027 k( 86) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0027027 k( 87) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0027027 k( 88) = ( 0.4561404 0.4561404 -0.0000000), wk = 0.0027027 k( 89) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0027027 k( 90) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0027027 k( 91) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0027027 k( 92) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0027027 k( 93) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0027027 k( 94) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0027027 k( 95) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0027027 k( 96) = ( 0.3859649 0.3859649 0.0000000), wk = 0.0027027 k( 97) = ( 0.3771930 0.3771930 0.0000000), wk = 0.0027027 k( 98) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0027027 k( 99) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0027027 k( 100) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0027027 k( 101) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0027027 k( 102) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027027 k( 103) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0027027 k( 104) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0027027 k( 105) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0027027 k( 106) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0027027 k( 107) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0027027 k( 108) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0027027 k( 109) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0027027 k( 110) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0027027 k( 111) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0027027 k( 112) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0027027 k( 113) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0027027 k( 114) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0027027 k( 115) = ( 0.2192983 0.2192983 -0.0000000), wk = 0.0027027 k( 116) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0027027 k( 117) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0027027 k( 118) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0027027 k( 119) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0027027 k( 120) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0027027 k( 121) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027027 k( 122) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0027027 k( 123) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0027027 k( 124) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0027027 k( 125) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0027027 k( 126) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0027027 k( 127) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0027027 k( 128) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0027027 k( 129) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0027027 k( 130) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0027027 k( 131) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0027027 k( 132) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0027027 k( 133) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0027027 k( 134) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0027027 k( 135) = ( 0.0438597 0.0438597 -0.0000000), wk = 0.0027027 k( 136) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0027027 k( 137) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0027027 k( 138) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0027027 k( 139) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0027027 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 142) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0027027 k( 143) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0027027 k( 144) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0027027 k( 145) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0027027 k( 146) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0027027 k( 147) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0027027 k( 148) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0027027 k( 149) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0027027 k( 150) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0027027 k( 151) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0027027 k( 152) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0027027 k( 153) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0027027 k( 154) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0027027 k( 155) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0027027 k( 156) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0027027 k( 157) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0027027 k( 158) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0027027 k( 159) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0027027 k( 160) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0027027 k( 161) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0027027 k( 162) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 172) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0027027 k( 173) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0027027 k( 174) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0027027 k( 175) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0027027 k( 176) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0027027 k( 177) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0027027 k( 178) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0027027 k( 179) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027027 k( 180) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0027027 k( 181) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027027 k( 182) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0027027 k( 183) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0027027 k( 184) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0027027 k( 185) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0027027 k( 186) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0027027 k( 187) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027027 k( 188) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0027027 k( 189) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0027027 k( 190) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0027027 k( 191) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027027 k( 192) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0027027 k( 193) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0027027 k( 194) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0027027 k( 195) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027027 k( 196) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0027027 k( 197) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0027027 k( 198) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0027027 k( 199) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0027027 k( 200) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0027027 k( 201) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027027 k( 202) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0027027 k( 203) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027027 k( 204) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0027027 k( 205) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0027027 k( 206) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0027027 k( 207) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0027027 k( 208) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0027027 k( 209) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0027027 k( 210) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0027027 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 213) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0027027 k( 214) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0027027 k( 215) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0027027 k( 216) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0027027 k( 217) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027027 k( 218) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0027027 k( 219) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0027027 k( 220) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027027 k( 221) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0027027 k( 222) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027027 k( 223) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0027027 k( 224) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0027027 k( 225) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0027027 k( 226) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0027027 k( 227) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027027 k( 228) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027027 k( 229) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0027027 k( 230) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0027027 k( 231) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0027027 k( 232) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027027 k( 233) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0027027 k( 234) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0027027 k( 235) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0027027 k( 236) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027027 k( 237) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027027 k( 238) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0027027 k( 239) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0027027 k( 240) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0027027 k( 241) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0027027 k( 242) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027027 k( 243) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0027027 k( 244) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027027 k( 245) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0027027 k( 246) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0027027 k( 247) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027027 k( 248) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0027027 k( 249) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0027027 k( 250) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0027027 k( 251) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0027027 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 254) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0027027 k( 255) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0027027 k( 256) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0027027 k( 257) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0027027 k( 258) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0027027 k( 259) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0027027 k( 260) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0027027 k( 261) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0027027 k( 262) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0027027 k( 263) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0027027 k( 264) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0027027 k( 265) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0027027 k( 266) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0027027 k( 267) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0027027 k( 268) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0027027 k( 269) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0027027 k( 270) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0027027 k( 271) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0027027 k( 272) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027027 k( 273) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0027027 k( 274) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0027027 k( 275) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0027027 k( 276) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0027027 k( 277) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0027027 k( 278) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0027027 k( 279) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0027027 k( 280) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0027027 k( 281) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0027027 k( 282) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0027027 k( 283) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0027027 k( 284) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0027027 k( 285) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0027027 k( 286) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0027027 k( 287) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0027027 k( 288) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0027027 k( 289) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0027027 k( 290) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0027027 k( 291) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027027 k( 292) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0027027 k( 293) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0027027 k( 294) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0027027 k( 295) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0027027 k( 296) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0027027 k( 297) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0027027 k( 298) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0027027 k( 299) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0027027 k( 300) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0027027 k( 301) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0027027 k( 302) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0027027 k( 303) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0027027 k( 304) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0027027 k( 305) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0027027 k( 306) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0027027 k( 307) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0027027 k( 308) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0027027 k( 309) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0027027 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 311) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027027 k( 312) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0027027 k( 313) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0027027 k( 314) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0027027 k( 315) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0027027 k( 316) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0027027 k( 317) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0027027 k( 318) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0027027 k( 319) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0027027 k( 320) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0027027 k( 321) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0027027 k( 322) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0027027 k( 323) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0027027 k( 324) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0027027 k( 325) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0027027 k( 326) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0027027 k( 327) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0027027 k( 328) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0027027 k( 329) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0027027 k( 330) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0027027 k( 331) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0027027 k( 332) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0027027 k( 333) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0027027 k( 334) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0027027 k( 335) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0027027 k( 336) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0027027 k( 337) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0027027 k( 338) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0027027 k( 339) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0027027 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 342) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0027027 k( 343) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0027027 k( 344) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0027027 k( 345) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0027027 k( 346) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0027027 k( 347) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0027027 k( 348) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0027027 k( 349) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0027027 k( 350) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0027027 k( 351) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0027027 k( 352) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0027027 k( 353) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0027027 k( 354) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0027027 k( 355) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0027027 k( 356) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0027027 k( 357) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0027027 k( 358) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0027027 k( 359) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0027027 k( 360) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0027027 k( 361) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0027027 k( 362) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0027027 k( 363) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0027027 k( 364) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0027027 k( 365) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0027027 k( 366) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0027027 k( 367) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0027027 k( 368) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0027027 k( 369) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0027027 k( 370) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 Dense grid: 82519 G-vectors FFT dimensions: ( 50, 50, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 592, 42) NL pseudopotentials 0.51 Mb ( 296, 112) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.02 Mb ( 2294) G-vector shells 0.01 Mb ( 1096) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.52 Mb ( 592, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.14 Mb ( 112, 2, 42) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaLi5N2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.2 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.6 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.8 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 18.1 secs Computing kpt #: 28 total cpu time spent up to now is 18.6 secs Computing kpt #: 29 total cpu time spent up to now is 19.2 secs Computing kpt #: 30 total cpu time spent up to now is 19.8 secs Computing kpt #: 31 total cpu time spent up to now is 20.4 secs Computing kpt #: 32 total cpu time spent up to now is 21.0 secs Computing kpt #: 33 total cpu time spent up to now is 21.6 secs Computing kpt #: 34 total cpu time spent up to now is 22.1 secs Computing kpt #: 35 total cpu time spent up to now is 22.7 secs Computing kpt #: 36 total cpu time spent up to now is 23.1 secs Computing kpt #: 37 total cpu time spent up to now is 23.6 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.4 secs Computing kpt #: 40 total cpu time spent up to now is 24.9 secs Computing kpt #: 41 total cpu time spent up to now is 25.3 secs Computing kpt #: 42 total cpu time spent up to now is 25.7 secs Computing kpt #: 43 total cpu time spent up to now is 26.2 secs Computing kpt #: 44 total cpu time spent up to now is 26.6 secs Computing kpt #: 45 total cpu time spent up to now is 27.1 secs Computing kpt #: 46 total cpu time spent up to now is 27.5 secs Computing kpt #: 47 total cpu time spent up to now is 28.0 secs Computing kpt #: 48 total cpu time spent up to now is 28.4 secs Computing kpt #: 49 total cpu time spent up to now is 28.9 secs Computing kpt #: 50 total cpu time spent up to now is 29.3 secs Computing kpt #: 51 total cpu time spent up to now is 29.8 secs Computing kpt #: 52 total cpu time spent up to now is 30.2 secs Computing kpt #: 53 total cpu time spent up to now is 30.6 secs Computing kpt #: 54 total cpu time spent up to now is 31.1 secs Computing kpt #: 55 total cpu time spent up to now is 31.5 secs Computing kpt #: 56 total cpu time spent up to now is 32.0 secs Computing kpt #: 57 total cpu time spent up to now is 32.4 secs Computing kpt #: 58 total cpu time spent up to now is 32.9 secs Computing kpt #: 59 total cpu time spent up to now is 33.5 secs Computing kpt #: 60 total cpu time spent up to now is 34.0 secs Computing kpt #: 61 total cpu time spent up to now is 34.6 secs Computing kpt #: 62 total cpu time spent up to now is 35.1 secs Computing kpt #: 63 total cpu time spent up to now is 35.7 secs Computing kpt #: 64 total cpu time spent up to now is 36.2 secs Computing kpt #: 65 total cpu time spent up to now is 36.8 secs Computing kpt #: 66 total cpu time spent up to now is 37.4 secs Computing kpt #: 67 total cpu time spent up to now is 37.9 secs Computing kpt #: 68 total cpu time spent up to now is 38.5 secs Computing kpt #: 69 total cpu time spent up to now is 39.0 secs Computing kpt #: 70 total cpu time spent up to now is 39.6 secs Computing kpt #: 71 total cpu time spent up to now is 40.1 secs Computing kpt #: 72 total cpu time spent up to now is 40.7 secs Computing kpt #: 73 total cpu time spent up to now is 41.1 secs Computing kpt #: 74 total cpu time spent up to now is 41.7 secs Computing kpt #: 75 total cpu time spent up to now is 42.2 secs Computing kpt #: 76 total cpu time spent up to now is 42.7 secs Computing kpt #: 77 total cpu time spent up to now is 43.2 secs Computing kpt #: 78 total cpu time spent up to now is 43.7 secs Computing kpt #: 79 total cpu time spent up to now is 44.2 secs Computing kpt #: 80 total cpu time spent up to now is 44.8 secs Computing kpt #: 81 total cpu time spent up to now is 45.2 secs Computing kpt #: 82 total cpu time spent up to now is 45.8 secs Computing kpt #: 83 total cpu time spent up to now is 46.3 secs Computing kpt #: 84 total cpu time spent up to now is 46.8 secs Computing kpt #: 85 total cpu time spent up to now is 47.3 secs Computing kpt #: 86 total cpu time spent up to now is 47.8 secs Computing kpt #: 87 total cpu time spent up to now is 48.3 secs Computing kpt #: 88 total cpu time spent up to now is 48.9 secs Computing kpt #: 89 total cpu time spent up to now is 49.4 secs Computing kpt #: 90 total cpu time spent up to now is 49.9 secs Computing kpt #: 91 total cpu time spent up to now is 50.5 secs Computing kpt #: 92 total cpu time spent up to now is 51.0 secs Computing kpt #: 93 total cpu time spent up to now is 51.5 secs Computing kpt #: 94 total cpu time spent up to now is 52.1 secs Computing kpt #: 95 total cpu time spent up to now is 52.6 secs Computing kpt #: 96 total cpu time spent up to now is 53.0 secs Computing kpt #: 97 total cpu time spent up to now is 53.6 secs Computing kpt #: 98 total cpu time spent up to now is 54.0 secs Computing kpt #: 99 total cpu time spent up to now is 54.6 secs Computing kpt #: 100 total cpu time spent up to now is 55.0 secs Computing kpt #: 101 total cpu time spent up to now is 55.5 secs Computing kpt #: 102 total cpu time spent up to now is 56.0 secs Computing kpt #: 103 total cpu time spent up to now is 56.4 secs Computing kpt #: 104 total cpu time spent up to now is 56.9 secs Computing kpt #: 105 total cpu time spent up to now is 57.4 secs Computing kpt #: 106 total cpu time spent up to now is 57.8 secs Computing kpt #: 107 total cpu time spent up to now is 58.3 secs Computing kpt #: 108 total cpu time spent up to now is 58.8 secs Computing kpt #: 109 total cpu time spent up to now is 59.3 secs Computing kpt #: 110 total cpu time spent up to now is 59.8 secs Computing kpt #: 111 total cpu time spent up to now is 60.4 secs Computing kpt #: 112 total cpu time spent up to now is 60.9 secs Computing kpt #: 113 total cpu time spent up to now is 61.4 secs Computing kpt #: 114 total cpu time spent up to now is 62.0 secs Computing kpt #: 115 total cpu time spent up to now is 62.5 secs Computing kpt #: 116 total cpu time spent up to now is 63.1 secs Computing kpt #: 117 total cpu time spent up to now is 63.7 secs Computing kpt #: 118 total cpu time spent up to now is 64.2 secs Computing kpt #: 119 total cpu time spent up to now is 64.8 secs Computing kpt #: 120 total cpu time spent up to now is 65.4 secs Computing kpt #: 121 total cpu time spent up to now is 66.0 secs Computing kpt #: 122 total cpu time spent up to now is 66.7 secs Computing kpt #: 123 total cpu time spent up to now is 67.3 secs Computing kpt #: 124 total cpu time spent up to now is 67.9 secs Computing kpt #: 125 total cpu time spent up to now is 68.6 secs Computing kpt #: 126 total cpu time spent up to now is 69.2 secs Computing kpt #: 127 total cpu time spent up to now is 69.8 secs Computing kpt #: 128 total cpu time spent up to now is 70.5 secs Computing kpt #: 129 total cpu time spent up to now is 71.1 secs Computing kpt #: 130 total cpu time spent up to now is 71.7 secs Computing kpt #: 131 total cpu time spent up to now is 72.3 secs Computing kpt #: 132 total cpu time spent up to now is 72.9 secs Computing kpt #: 133 total cpu time spent up to now is 73.6 secs Computing kpt #: 134 total cpu time spent up to now is 74.3 secs Computing kpt #: 135 total cpu time spent up to now is 74.9 secs Computing kpt #: 136 total cpu time spent up to now is 75.6 secs Computing kpt #: 137 total cpu time spent up to now is 76.3 secs Computing kpt #: 138 total cpu time spent up to now is 77.0 secs Computing kpt #: 139 total cpu time spent up to now is 77.6 secs Computing kpt #: 140 total cpu time spent up to now is 78.1 secs Computing kpt #: 141 total cpu time spent up to now is 78.7 secs Computing kpt #: 142 total cpu time spent up to now is 79.3 secs Computing kpt #: 143 total cpu time spent up to now is 79.8 secs Computing kpt #: 144 total cpu time spent up to now is 80.4 secs Computing kpt #: 145 total cpu time spent up to now is 81.0 secs Computing kpt #: 146 total cpu time spent up to now is 81.8 secs Computing kpt #: 147 total cpu time spent up to now is 82.5 secs Computing kpt #: 148 total cpu time spent up to now is 83.3 secs Computing kpt #: 149 total cpu time spent up to now is 84.1 secs Computing kpt #: 150 total cpu time spent up to now is 84.9 secs Computing kpt #: 151 total cpu time spent up to now is 85.7 secs Computing kpt #: 152 total cpu time spent up to now is 86.4 secs Computing kpt #: 153 total cpu time spent up to now is 87.2 secs Computing kpt #: 154 total cpu time spent up to now is 88.0 secs Computing kpt #: 155 total cpu time spent up to now is 88.8 secs Computing kpt #: 156 total cpu time spent up to now is 89.6 secs Computing kpt #: 157 total cpu time spent up to now is 90.2 secs Computing kpt #: 158 total cpu time spent up to now is 90.9 secs Computing kpt #: 159 total cpu time spent up to now is 91.5 secs Computing kpt #: 160 total cpu time spent up to now is 92.2 secs Computing kpt #: 161 total cpu time spent up to now is 92.7 secs Computing kpt #: 162 total cpu time spent up to now is 93.4 secs Computing kpt #: 163 total cpu time spent up to now is 94.0 secs Computing kpt #: 164 total cpu time spent up to now is 94.5 secs Computing kpt #: 165 total cpu time spent up to now is 95.1 secs Computing kpt #: 166 total cpu time spent up to now is 95.7 secs Computing kpt #: 167 total cpu time spent up to now is 96.8 secs Computing kpt #: 168 total cpu time spent up to now is 97.4 secs Computing kpt #: 169 total cpu time spent up to now is 98.1 secs Computing kpt #: 170 total cpu time spent up to now is 98.7 secs Computing kpt #: 171 total cpu time spent up to now is 99.3 secs Computing kpt #: 172 total cpu time spent up to now is 99.8 secs Computing kpt #: 173 total cpu time spent up to now is 100.4 secs Computing kpt #: 174 total cpu time spent up to now is 101.0 secs Computing kpt #: 175 total cpu time spent up to now is 101.6 secs Computing kpt #: 176 total cpu time spent up to now is 102.1 secs Computing kpt #: 177 total cpu time spent up to now is 102.7 secs Computing kpt #: 178 total cpu time spent up to now is 103.3 secs Computing kpt #: 179 total cpu time spent up to now is 103.8 secs Computing kpt #: 180 total cpu time spent up to now is 104.4 secs Computing kpt #: 181 total cpu time spent up to now is 104.9 secs Computing kpt #: 182 total cpu time spent up to now is 105.5 secs Computing kpt #: 183 total cpu time spent up to now is 106.1 secs Computing kpt #: 184 total cpu time spent up to now is 106.7 secs Computing kpt #: 185 total cpu time spent up to now is 107.2 secs Computing kpt #: 186 total cpu time spent up to now is 107.8 secs Computing kpt #: 187 total cpu time spent up to now is 108.3 secs Computing kpt #: 188 total cpu time spent up to now is 108.9 secs Computing kpt #: 189 total cpu time spent up to now is 109.5 secs Computing kpt #: 190 total cpu time spent up to now is 110.0 secs Computing kpt #: 191 total cpu time spent up to now is 110.5 secs Computing kpt #: 192 total cpu time spent up to now is 111.0 secs Computing kpt #: 193 total cpu time spent up to now is 111.5 secs Computing kpt #: 194 total cpu time spent up to now is 112.0 secs Computing kpt #: 195 total cpu time spent up to now is 112.5 secs Computing kpt #: 196 total cpu time spent up to now is 112.9 secs Computing kpt #: 197 total cpu time spent up to now is 113.4 secs Computing kpt #: 198 total cpu time spent up to now is 113.9 secs Computing kpt #: 199 total cpu time spent up to now is 114.4 secs Computing kpt #: 200 total cpu time spent up to now is 114.9 secs Computing kpt #: 201 total cpu time spent up to now is 115.3 secs Computing kpt #: 202 total cpu time spent up to now is 115.8 secs Computing kpt #: 203 total cpu time spent up to now is 116.3 secs Computing kpt #: 204 total cpu time spent up to now is 116.8 secs Computing kpt #: 205 total cpu time spent up to now is 117.3 secs Computing kpt #: 206 total cpu time spent up to now is 117.7 secs Computing kpt #: 207 total cpu time spent up to now is 118.2 secs Computing kpt #: 208 total cpu time spent up to now is 118.8 secs Computing kpt #: 209 total cpu time spent up to now is 119.3 secs Computing kpt #: 210 total cpu time spent up to now is 119.8 secs Computing kpt #: 211 total cpu time spent up to now is 120.4 secs Computing kpt #: 212 total cpu time spent up to now is 120.8 secs Computing kpt #: 213 total cpu time spent up to now is 121.3 secs Computing kpt #: 214 total cpu time spent up to now is 121.9 secs Computing kpt #: 215 total cpu time spent up to now is 122.4 secs Computing kpt #: 216 total cpu time spent up to now is 123.0 secs Computing kpt #: 217 total cpu time spent up to now is 123.5 secs Computing kpt #: 218 total cpu time spent up to now is 124.0 secs Computing kpt #: 219 total cpu time spent up to now is 124.4 secs Computing kpt #: 220 total cpu time spent up to now is 124.9 secs Computing kpt #: 221 total cpu time spent up to now is 125.4 secs Computing kpt #: 222 total cpu time spent up to now is 125.9 secs Computing kpt #: 223 total cpu time spent up to now is 126.3 secs Computing kpt #: 224 total cpu time spent up to now is 126.7 secs Computing kpt #: 225 total cpu time spent up to now is 127.2 secs Computing kpt #: 226 total cpu time spent up to now is 127.6 secs Computing kpt #: 227 total cpu time spent up to now is 128.0 secs Computing kpt #: 228 total cpu time spent up to now is 128.5 secs Computing kpt #: 229 total cpu time spent up to now is 128.9 secs Computing kpt #: 230 total cpu time spent up to now is 129.3 secs Computing kpt #: 231 total cpu time spent up to now is 129.7 secs Computing kpt #: 232 total cpu time spent up to now is 130.1 secs Computing kpt #: 233 total cpu time spent up to now is 130.6 secs Computing kpt #: 234 total cpu time spent up to now is 131.0 secs Computing kpt #: 235 total cpu time spent up to now is 131.4 secs Computing kpt #: 236 total cpu time spent up to now is 131.8 secs Computing kpt #: 237 total cpu time spent up to now is 132.2 secs Computing kpt #: 238 total cpu time spent up to now is 132.7 secs Computing kpt #: 239 total cpu time spent up to now is 133.1 secs Computing kpt #: 240 total cpu time spent up to now is 133.5 secs Computing kpt #: 241 total cpu time spent up to now is 133.9 secs Computing kpt #: 242 total cpu time spent up to now is 134.4 secs Computing kpt #: 243 total cpu time spent up to now is 134.8 secs Computing kpt #: 244 total cpu time spent up to now is 135.2 secs Computing kpt #: 245 total cpu time spent up to now is 135.7 secs Computing kpt #: 246 total cpu time spent up to now is 136.1 secs Computing kpt #: 247 total cpu time spent up to now is 136.6 secs Computing kpt #: 248 total cpu time spent up to now is 137.0 secs Computing kpt #: 249 total cpu time spent up to now is 137.5 secs Computing kpt #: 250 total cpu time spent up to now is 137.9 secs Computing kpt #: 251 total cpu time spent up to now is 138.4 secs Computing kpt #: 252 total cpu time spent up to now is 138.9 secs Computing kpt #: 253 total cpu time spent up to now is 139.4 secs Computing kpt #: 254 total cpu time spent up to now is 139.9 secs Computing kpt #: 255 total cpu time spent up to now is 140.3 secs Computing kpt #: 256 total cpu time spent up to now is 140.8 secs Computing kpt #: 257 total cpu time spent up to now is 141.2 secs Computing kpt #: 258 total cpu time spent up to now is 141.7 secs Computing kpt #: 259 total cpu time spent up to now is 142.1 secs Computing kpt #: 260 total cpu time spent up to now is 142.6 secs Computing kpt #: 261 total cpu time spent up to now is 143.0 secs Computing kpt #: 262 total cpu time spent up to now is 143.4 secs Computing kpt #: 263 total cpu time spent up to now is 143.8 secs Computing kpt #: 264 total cpu time spent up to now is 144.2 secs Computing kpt #: 265 total cpu time spent up to now is 144.7 secs Computing kpt #: 266 total cpu time spent up to now is 145.1 secs Computing kpt #: 267 total cpu time spent up to now is 145.5 secs Computing kpt #: 268 total cpu time spent up to now is 145.9 secs Computing kpt #: 269 total cpu time spent up to now is 146.3 secs Computing kpt #: 270 total cpu time spent up to now is 146.7 secs Computing kpt #: 271 total cpu time spent up to now is 147.1 secs Computing kpt #: 272 total cpu time spent up to now is 147.6 secs Computing kpt #: 273 total cpu time spent up to now is 148.0 secs Computing kpt #: 274 total cpu time spent up to now is 148.4 secs Computing kpt #: 275 total cpu time spent up to now is 148.8 secs Computing kpt #: 276 total cpu time spent up to now is 149.2 secs Computing kpt #: 277 total cpu time spent up to now is 149.6 secs Computing kpt #: 278 total cpu time spent up to now is 150.1 secs Computing kpt #: 279 total cpu time spent up to now is 150.5 secs Computing kpt #: 280 total cpu time spent up to now is 150.9 secs Computing kpt #: 281 total cpu time spent up to now is 151.3 secs Computing kpt #: 282 total cpu time spent up to now is 151.7 secs Computing kpt #: 283 total cpu time spent up to now is 152.1 secs Computing kpt #: 284 total cpu time spent up to now is 152.6 secs Computing kpt #: 285 total cpu time spent up to now is 153.0 secs Computing kpt #: 286 total cpu time spent up to now is 153.4 secs Computing kpt #: 287 total cpu time spent up to now is 153.8 secs Computing kpt #: 288 total cpu time spent up to now is 154.3 secs Computing kpt #: 289 total cpu time spent up to now is 154.7 secs Computing kpt #: 290 total cpu time spent up to now is 155.1 secs Computing kpt #: 291 total cpu time spent up to now is 155.6 secs Computing kpt #: 292 total cpu time spent up to now is 156.0 secs Computing kpt #: 293 total cpu time spent up to now is 156.5 secs Computing kpt #: 294 total cpu time spent up to now is 156.9 secs Computing kpt #: 295 total cpu time spent up to now is 157.4 secs Computing kpt #: 296 total cpu time spent up to now is 157.9 secs Computing kpt #: 297 total cpu time spent up to now is 158.4 secs Computing kpt #: 298 total cpu time spent up to now is 158.9 secs Computing kpt #: 299 total cpu time spent up to now is 159.5 secs Computing kpt #: 300 total cpu time spent up to now is 159.9 secs Computing kpt #: 301 total cpu time spent up to now is 160.4 secs Computing kpt #: 302 total cpu time spent up to now is 160.9 secs Computing kpt #: 303 total cpu time spent up to now is 161.4 secs Computing kpt #: 304 total cpu time spent up to now is 162.0 secs Computing kpt #: 305 total cpu time spent up to now is 162.6 secs Computing kpt #: 306 total cpu time spent up to now is 163.1 secs Computing kpt #: 307 total cpu time spent up to now is 163.7 secs Computing kpt #: 308 total cpu time spent up to now is 164.3 secs Computing kpt #: 309 total cpu time spent up to now is 164.8 secs Computing kpt #: 310 total cpu time spent up to now is 165.6 secs Computing kpt #: 311 total cpu time spent up to now is 166.0 secs Computing kpt #: 312 total cpu time spent up to now is 166.4 secs Computing kpt #: 313 total cpu time spent up to now is 166.9 secs Computing kpt #: 314 total cpu time spent up to now is 167.3 secs Computing kpt #: 315 total cpu time spent up to now is 167.8 secs Computing kpt #: 316 total cpu time spent up to now is 168.2 secs Computing kpt #: 317 total cpu time spent up to now is 168.7 secs Computing kpt #: 318 total cpu time spent up to now is 169.2 secs Computing kpt #: 319 total cpu time spent up to now is 169.8 secs Computing kpt #: 320 total cpu time spent up to now is 170.4 secs Computing kpt #: 321 total cpu time spent up to now is 170.9 secs Computing kpt #: 322 total cpu time spent up to now is 171.5 secs Computing kpt #: 323 total cpu time spent up to now is 172.0 secs Computing kpt #: 324 total cpu time spent up to now is 172.6 secs Computing kpt #: 325 total cpu time spent up to now is 173.1 secs Computing kpt #: 326 total cpu time spent up to now is 173.6 secs Computing kpt #: 327 total cpu time spent up to now is 174.1 secs Computing kpt #: 328 total cpu time spent up to now is 174.6 secs Computing kpt #: 329 total cpu time spent up to now is 175.1 secs Computing kpt #: 330 total cpu time spent up to now is 175.6 secs Computing kpt #: 331 total cpu time spent up to now is 176.1 secs Computing kpt #: 332 total cpu time spent up to now is 176.7 secs Computing kpt #: 333 total cpu time spent up to now is 177.2 secs Computing kpt #: 334 total cpu time spent up to now is 177.8 secs Computing kpt #: 335 total cpu time spent up to now is 178.2 secs Computing kpt #: 336 total cpu time spent up to now is 178.8 secs Computing kpt #: 337 total cpu time spent up to now is 179.4 secs Computing kpt #: 338 total cpu time spent up to now is 179.9 secs Computing kpt #: 339 total cpu time spent up to now is 180.4 secs Computing kpt #: 340 total cpu time spent up to now is 181.0 secs Computing kpt #: 341 total cpu time spent up to now is 181.4 secs Computing kpt #: 342 total cpu time spent up to now is 182.0 secs Computing kpt #: 343 total cpu time spent up to now is 182.5 secs Computing kpt #: 344 total cpu time spent up to now is 183.0 secs Computing kpt #: 345 total cpu time spent up to now is 183.6 secs Computing kpt #: 346 total cpu time spent up to now is 184.1 secs Computing kpt #: 347 total cpu time spent up to now is 184.6 secs Computing kpt #: 348 total cpu time spent up to now is 185.2 secs Computing kpt #: 349 total cpu time spent up to now is 185.7 secs Computing kpt #: 350 total cpu time spent up to now is 186.3 secs Computing kpt #: 351 total cpu time spent up to now is 186.8 secs Computing kpt #: 352 total cpu time spent up to now is 187.4 secs Computing kpt #: 353 total cpu time spent up to now is 187.9 secs Computing kpt #: 354 total cpu time spent up to now is 188.5 secs Computing kpt #: 355 total cpu time spent up to now is 189.1 secs Computing kpt #: 356 total cpu time spent up to now is 189.6 secs Computing kpt #: 357 total cpu time spent up to now is 190.2 secs Computing kpt #: 358 total cpu time spent up to now is 190.8 secs Computing kpt #: 359 total cpu time spent up to now is 191.4 secs Computing kpt #: 360 total cpu time spent up to now is 192.1 secs Computing kpt #: 361 total cpu time spent up to now is 192.8 secs Computing kpt #: 362 total cpu time spent up to now is 193.3 secs Computing kpt #: 363 total cpu time spent up to now is 193.9 secs Computing kpt #: 364 total cpu time spent up to now is 194.5 secs Computing kpt #: 365 total cpu time spent up to now is 195.0 secs Computing kpt #: 366 total cpu time spent up to now is 195.6 secs Computing kpt #: 367 total cpu time spent up to now is 196.1 secs Computing kpt #: 368 total cpu time spent up to now is 196.6 secs Computing kpt #: 369 total cpu time spent up to now is 197.0 secs Computing kpt #: 370 total cpu time spent up to now is 197.6 secs ethr = 2.94E-08, avg # of iterations = 22.8 total cpu time spent up to now is 197.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10265 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7311 -41.7311 -41.7155 -41.7155 -41.7020 -41.7020 -41.6830 -41.6830 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9608 -7.9608 -7.5393 -7.5393 1.6122 1.6122 2.2579 2.2579 2.2656 2.2656 3.7348 3.7348 3.7484 3.7484 3.7575 3.7575 5.2390 5.2390 6.0976 6.0976 9.5685 9.5685 9.7350 9.7351 k = 0.0000 0.0125-0.0000 ( 10271 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7311 -41.7311 -41.7155 -41.7155 -41.7020 -41.7020 -41.6830 -41.6830 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9605 -7.9605 -7.5393 -7.5393 1.6127 1.6127 2.2568 2.2568 2.2651 2.2651 3.7312 3.7312 3.7456 3.7456 3.7560 3.7560 5.2446 5.2446 6.1012 6.1012 9.5691 9.5691 9.7352 9.7353 k = 0.0000 0.0250-0.0000 ( 10267 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7310 -41.7310 -41.7155 -41.7155 -41.7020 -41.7020 -41.6831 -41.6831 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9596 -7.9596 -7.5393 -7.5393 1.6140 1.6140 2.2513 2.2513 2.2659 2.2659 3.7155 3.7155 3.7415 3.7415 3.7520 3.7520 5.2610 5.2610 6.1118 6.1118 9.5706 9.5706 9.7356 9.7356 k = 0.0000 0.0375-0.0000 ( 10275 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7310 -41.7310 -41.7154 -41.7154 -41.7021 -41.7021 -41.6831 -41.6831 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9582 -7.9582 -7.5392 -7.5392 1.6163 1.6163 2.2404 2.2404 2.2693 2.2693 3.6863 3.6863 3.7373 3.7373 3.7469 3.7469 5.2873 5.2873 6.1293 6.1293 9.5729 9.5729 9.7362 9.7362 k = 0.0000 0.0500-0.0000 ( 10281 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7309 -41.7309 -41.7153 -41.7153 -41.7022 -41.7022 -41.6832 -41.6832 -20.6564 -20.6564 -20.4840 -20.4840 -20.4727 -20.4727 -7.9561 -7.9561 -7.5391 -7.5391 1.6195 1.6195 2.2247 2.2247 2.2745 2.2745 3.6461 3.6461 3.7297 3.7297 3.7428 3.7428 5.3224 5.3224 6.1535 6.1535 9.5757 9.5757 9.7371 9.7371 k = 0.0000 0.0625-0.0000 ( 10263 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7308 -41.7308 -41.7152 -41.7152 -41.7023 -41.7023 -41.6833 -41.6833 -20.6564 -20.6564 -20.4840 -20.4840 -20.4728 -20.4728 -7.9534 -7.9534 -7.5389 -7.5389 1.6236 1.6236 2.2049 2.2049 2.2813 2.2813 3.5968 3.5968 3.7178 3.7178 3.7401 3.7401 5.3647 5.3647 6.1840 6.1840 9.5786 9.5786 9.7384 9.7384 k = 0.0000 0.0750-0.0000 ( 10269 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7308 -41.7308 -41.7150 -41.7150 -41.7025 -41.7025 -41.6834 -41.6834 -20.6565 -20.6565 -20.4841 -20.4841 -20.4728 -20.4728 -7.9502 -7.9502 -7.5388 -7.5388 1.6286 1.6286 2.1813 2.1813 2.2898 2.2898 3.5401 3.5401 3.7027 3.7027 3.7376 3.7376 5.4130 5.4130 6.2206 6.2206 9.5809 9.5809 9.7400 9.7400 k = 0.0000 0.0875-0.0000 ( 10277 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7306 -41.7306 -41.7149 -41.7149 -41.7026 -41.7026 -41.6836 -41.6836 -20.6565 -20.6565 -20.4842 -20.4842 -20.4728 -20.4728 -7.9464 -7.9464 -7.5386 -7.5386 1.6346 1.6346 2.1543 2.1543 2.2997 2.2997 3.4773 3.4773 3.6847 3.6847 3.7349 3.7349 5.4659 5.4659 6.2627 6.2627 9.5820 9.5820 9.7421 9.7421 k = 0.0000 0.1000-0.0000 ( 10277 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7305 -41.7305 -41.7147 -41.7147 -41.7028 -41.7028 -41.6838 -41.6838 -20.6566 -20.6566 -20.4843 -20.4843 -20.4729 -20.4729 -7.9421 -7.9421 -7.5385 -7.5385 1.6414 1.6414 2.1243 2.1243 2.3112 2.3112 3.4097 3.4097 3.6642 3.6642 3.7319 3.7319 5.5222 5.5222 6.3100 6.3100 9.5811 9.5811 9.7447 9.7447 k = 0.0000 0.1125-0.0000 ( 10272 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7303 -41.7303 -41.7145 -41.7145 -41.7030 -41.7030 -41.6840 -41.6840 -20.6567 -20.6567 -20.4844 -20.4844 -20.4730 -20.4730 -7.9373 -7.9373 -7.5383 -7.5383 1.6492 1.6492 2.0917 2.0917 2.3242 2.3242 3.3385 3.3385 3.6412 3.6412 3.7286 3.7286 5.5812 5.5812 6.3618 6.3618 9.5775 9.5775 9.7480 9.7480 k = 0.0000 0.1250-0.0000 ( 10276 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7302 -41.7302 -41.7142 -41.7142 -41.7033 -41.7033 -41.6842 -41.6842 -20.6568 -20.6568 -20.4845 -20.4845 -20.4730 -20.4730 -7.9319 -7.9319 -7.5382 -7.5382 1.6579 1.6579 2.0570 2.0570 2.3386 2.3386 3.2643 3.2643 3.6159 3.6159 3.7247 3.7247 5.6419 5.6419 6.4178 6.4178 9.5705 9.5705 9.7518 9.7518 k = 0.0000 0.1375-0.0000 ( 10282 PWs) bands (ev): -48.5789 -48.5789 -42.9009 -42.9009 -41.7300 -41.7300 -41.7140 -41.7140 -41.7036 -41.7036 -41.6845 -41.6845 -20.6569 -20.6569 -20.4847 -20.4847 -20.4731 -20.4731 -7.9260 -7.9260 -7.5382 -7.5382 1.6675 1.6675 2.0206 2.0206 2.3544 2.3544 3.1881 3.1881 3.5885 3.5885 3.7203 3.7203 5.7038 5.7038 6.4773 6.4773 9.5595 9.5595 9.7564 9.7564 k = 0.0000 0.1500-0.0000 ( 10272 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7298 -41.7298 -41.7137 -41.7137 -41.7038 -41.7038 -41.6847 -41.6847 -20.6570 -20.6570 -20.4848 -20.4848 -20.4731 -20.4731 -7.9196 -7.9196 -7.5382 -7.5382 1.6781 1.6781 1.9828 1.9828 2.3716 2.3716 3.1105 3.1105 3.5590 3.5590 3.7154 3.7154 5.7664 5.7664 6.5400 6.5400 9.5442 9.5442 9.7617 9.7617 k = 0.0000 0.1625-0.0000 ( 10288 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7296 -41.7296 -41.7134 -41.7134 -41.7041 -41.7041 -41.6850 -41.6850 -20.6571 -20.6571 -20.4850 -20.4850 -20.4732 -20.4732 -7.9127 -7.9127 -7.5383 -7.5383 1.6896 1.6896 1.9442 1.9442 2.3902 2.3902 3.0320 3.0320 3.5276 3.5276 3.7099 3.7099 5.8293 5.8293 6.6053 6.6053 9.5243 9.5243 9.7677 9.7677 k = 0.0000 0.1750-0.0000 ( 10288 PWs) bands (ev): -48.5788 -48.5788 -42.9007 -42.9007 -41.7293 -41.7293 -41.7130 -41.7130 -41.7045 -41.7045 -41.6853 -41.6853 -20.6572 -20.6572 -20.4851 -20.4851 -20.4733 -20.4733 -7.9055 -7.9055 -7.5385 -7.5385 1.7020 1.7020 1.9050 1.9050 2.4101 2.4101 2.9530 2.9530 3.4944 3.4944 3.7038 3.7038 5.8922 5.8922 6.6726 6.6726 9.5001 9.5001 9.7746 9.7746 k = 0.0000 0.1875-0.0000 ( 10294 PWs) bands (ev): -48.5788 -48.5788 -42.9006 -42.9006 -41.7291 -41.7291 -41.7127 -41.7127 -41.7048 -41.7048 -41.6857 -41.6857 -20.6574 -20.6574 -20.4853 -20.4853 -20.4733 -20.4733 -7.8977 -7.8977 -7.5388 -7.5388 1.7153 1.7153 1.8656 1.8656 2.4312 2.4312 2.8740 2.8740 3.4597 3.4597 3.6970 3.6970 5.9548 5.9548 6.7417 6.7417 9.4720 9.4720 9.7822 9.7822 k = 0.0000 0.2000-0.0000 ( 10302 PWs) bands (ev): -48.5788 -48.5788 -42.9006 -42.9006 -41.7288 -41.7288 -41.7123 -41.7123 -41.7052 -41.7052 -41.6860 -41.6860 -20.6575 -20.6575 -20.4855 -20.4855 -20.4734 -20.4734 -7.8896 -7.8896 -7.5393 -7.5393 1.7296 1.7296 1.8264 1.8264 2.4536 2.4536 2.7953 2.7953 3.4235 3.4235 3.6894 3.6894 6.0169 6.0169 6.8121 6.8121 9.4403 9.4403 9.7907 9.7907 k = 0.0000 0.2125-0.0000 ( 10310 PWs) bands (ev): -48.5787 -48.5787 -42.9005 -42.9005 -41.7285 -41.7285 -41.7119 -41.7119 -41.7056 -41.7056 -41.6864 -41.6864 -20.6576 -20.6576 -20.4857 -20.4857 -20.4735 -20.4735 -7.8811 -7.8811 -7.5399 -7.5399 1.7447 1.7447 1.7878 1.7878 2.4773 2.4773 2.7172 2.7172 3.3860 3.3860 3.6811 3.6811 6.0785 6.0785 6.8833 6.8833 9.4057 9.4057 9.7999 9.7999 k = 0.0000 0.2250-0.0000 ( 10304 PWs) bands (ev): -48.5787 -48.5787 -42.9004 -42.9004 -41.7282 -41.7282 -41.7115 -41.7115 -41.7060 -41.7060 -41.6868 -41.6868 -20.6578 -20.6578 -20.4859 -20.4859 -20.4735 -20.4735 -7.8723 -7.8723 -7.5408 -7.5408 1.7493 1.7493 1.7615 1.7615 2.5020 2.5020 2.6400 2.6400 3.3473 3.3473 3.6720 3.6720 6.1393 6.1393 6.9551 6.9551 9.3687 9.3687 9.8099 9.8099 k = 0.0000 0.2375-0.0000 ( 10312 PWs) bands (ev): -48.5787 -48.5787 -42.9003 -42.9003 -41.7278 -41.7278 -41.7111 -41.7111 -41.7064 -41.7064 -41.6872 -41.6872 -20.6579 -20.6579 -20.4861 -20.4861 -20.4736 -20.4736 -7.8632 -7.8632 -7.5418 -7.5418 1.7128 1.7128 1.7782 1.7782 2.5279 2.5279 2.5639 2.5639 3.3076 3.3076 3.6621 3.6621 6.1992 6.1992 7.0271 7.0271 9.3299 9.3299 9.8206 9.8206 k = 0.0000 0.2500-0.0000 ( 10310 PWs) bands (ev): -48.5786 -48.5786 -42.9003 -42.9003 -41.7275 -41.7275 -41.7106 -41.7106 -41.7069 -41.7069 -41.6876 -41.6876 -20.6581 -20.6581 -20.4863 -20.4863 -20.4737 -20.4737 -7.8537 -7.8537 -7.5430 -7.5430 1.6773 1.6773 1.7962 1.7962 2.4891 2.4891 2.5548 2.5548 3.2671 3.2671 3.6512 3.6512 6.2581 6.2581 7.0990 7.0990 9.2899 9.2899 9.8320 9.8320 k = 0.0000 0.2625-0.0000 ( 10306 PWs) bands (ev): -48.5786 -48.5786 -42.9002 -42.9002 -41.7271 -41.7271 -41.7101 -41.7101 -41.7073 -41.7073 -41.6881 -41.6881 -20.6582 -20.6582 -20.4865 -20.4865 -20.4737 -20.4737 -7.8441 -7.8441 -7.5445 -7.5445 1.6433 1.6433 1.8151 1.8151 2.4159 2.4159 2.5826 2.5826 3.2258 3.2258 3.6394 3.6394 6.3159 6.3159 7.1705 7.1705 9.2491 9.2491 9.8334 9.8334 k = 0.0000 0.2750-0.0000 ( 10300 PWs) bands (ev): -48.5786 -48.5786 -42.9001 -42.9001 -41.7267 -41.7267 -41.7096 -41.7096 -41.7078 -41.7078 -41.6886 -41.6886 -20.6583 -20.6583 -20.4867 -20.4867 -20.4738 -20.4738 -7.8342 -7.8342 -7.5462 -7.5462 1.6111 1.6111 1.8349 1.8349 2.3443 2.3443 2.6114 2.6114 3.1840 3.1840 3.6266 3.6266 6.3726 6.3726 7.2414 7.2414 9.2081 9.2081 9.7803 9.7803 k = 0.0000 0.2875-0.0000 ( 10298 PWs) bands (ev): -48.5786 -48.5786 -42.9000 -42.9000 -41.7264 -41.7264 -41.7091 -41.7091 -41.7083 -41.7083 -41.6890 -41.6890 -20.6585 -20.6585 -20.4869 -20.4869 -20.4738 -20.4738 -7.8241 -7.8241 -7.5482 -7.5482 1.5808 1.5808 1.8556 1.8556 2.2747 2.2747 2.6411 2.6411 3.1417 3.1417 3.6128 3.6128 6.4280 6.4280 7.3113 7.3113 9.1672 9.1672 9.7279 9.7279 k = 0.0000 0.3000-0.0000 ( 10310 PWs) bands (ev): -48.5785 -48.5785 -42.8999 -42.8999 -41.7259 -41.7259 -41.7088 -41.7088 -41.7086 -41.7086 -41.6895 -41.6895 -20.6586 -20.6586 -20.4871 -20.4871 -20.4739 -20.4739 -7.8138 -7.8138 -7.5505 -7.5505 1.5526 1.5526 1.8773 1.8773 2.2070 2.2070 2.6715 2.6715 3.0991 3.0991 3.5980 3.5980 6.4820 6.4820 7.3802 7.3802 9.1269 9.1269 9.6767 9.6767 k = 0.0000 0.3125-0.0000 ( 10312 PWs) bands (ev): -48.5785 -48.5785 -42.8999 -42.8999 -41.7255 -41.7255 -41.7093 -41.7093 -41.7081 -41.7081 -41.6900 -41.6900 -20.6588 -20.6588 -20.4873 -20.4873 -20.4740 -20.4740 -7.8035 -7.8035 -7.5531 -7.5531 1.5267 1.5267 1.8997 1.8997 2.1415 2.1415 2.7026 2.7026 3.0563 3.0563 3.5822 3.5822 6.5345 6.5345 7.4476 7.4476 9.0876 9.0876 9.6270 9.6270 k = 0.0000 0.3250-0.0000 ( 10320 PWs) bands (ev): -48.5785 -48.5785 -42.8998 -42.8998 -41.7251 -41.7251 -41.7099 -41.7099 -41.7075 -41.7075 -41.6906 -41.6906 -20.6589 -20.6589 -20.4874 -20.4874 -20.4740 -20.4740 -7.7931 -7.7931 -7.5560 -7.5560 1.5033 1.5033 1.9230 1.9230 2.0783 2.0783 2.7343 2.7343 3.0135 3.0135 3.5652 3.5652 6.5854 6.5854 7.5135 7.5135 9.0497 9.0497 9.5790 9.5790 k = 0.0000 0.3375-0.0000 ( 10318 PWs) bands (ev): -48.5785 -48.5785 -42.8997 -42.8997 -41.7246 -41.7246 -41.7104 -41.7104 -41.7070 -41.7070 -41.6911 -41.6911 -20.6590 -20.6590 -20.4876 -20.4876 -20.4740 -20.4740 -7.7826 -7.7826 -7.5592 -7.5592 1.4824 1.4824 1.9471 1.9471 2.0175 2.0175 2.7665 2.7665 2.9708 2.9708 3.5472 3.5472 6.6345 6.6345 7.5774 7.5774 9.0138 9.0138 9.5331 9.5331 k = 0.0000 0.3500-0.0000 ( 10322 PWs) bands (ev): -48.5785 -48.5785 -42.8997 -42.8997 -41.7242 -41.7242 -41.7109 -41.7109 -41.7064 -41.7064 -41.6917 -41.6917 -20.6591 -20.6591 -20.4878 -20.4878 -20.4741 -20.4741 -7.7722 -7.7722 -7.5628 -7.5628 1.4642 1.4642 1.9591 1.9591 1.9720 1.9720 2.7992 2.7992 2.9284 2.9284 3.5280 3.5280 6.6816 6.6816 7.6391 7.6391 8.9803 8.9803 9.4896 9.4896 k = 0.0000 0.3625-0.0000 ( 10328 PWs) bands (ev): -48.5784 -48.5784 -42.8996 -42.8996 -41.7237 -41.7237 -41.7115 -41.7115 -41.7058 -41.7058 -41.6922 -41.6922 -20.6593 -20.6593 -20.4880 -20.4880 -20.4741 -20.4741 -7.7618 -7.7618 -7.5666 -7.5666 1.4488 1.4488 1.9034 1.9034 1.9975 1.9975 2.8323 2.8323 2.8864 2.8864 3.5078 3.5078 6.7266 6.7266 7.6982 7.6982 8.9497 8.9497 9.4487 9.4487 k = 0.0000 0.3750-0.0000 ( 10336 PWs) bands (ev): -48.5784 -48.5784 -42.8995 -42.8995 -41.7232 -41.7232 -41.7121 -41.7121 -41.7052 -41.7052 -41.6928 -41.6928 -20.6594 -20.6594 -20.4881 -20.4881 -20.4742 -20.4742 -7.7515 -7.7515 -7.5708 -7.5708 1.4363 1.4363 1.8504 1.8504 2.0235 2.0235 2.8450 2.8450 2.8656 2.8656 3.4866 3.4866 6.7691 6.7691 7.7544 7.7544 8.9228 8.9228 9.4105 9.4105 k = 0.0000 0.3875-0.0000 ( 10332 PWs) bands (ev): -48.5784 -48.5784 -42.8995 -42.8995 -41.7227 -41.7227 -41.7126 -41.7126 -41.7046 -41.7046 -41.6934 -41.6934 -20.6595 -20.6595 -20.4883 -20.4883 -20.4742 -20.4742 -7.7414 -7.7414 -7.5752 -7.5752 1.4268 1.4268 1.8002 1.8002 2.0501 2.0501 2.8043 2.8043 2.8990 2.8990 3.4643 3.4643 6.8091 6.8091 7.8071 7.8071 8.9000 8.9000 9.3754 9.3754 k = 0.0000 0.4000-0.0000 ( 10332 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7222 -41.7222 -41.7132 -41.7132 -41.7040 -41.7040 -41.6940 -41.6940 -20.6596 -20.6596 -20.4884 -20.4884 -20.4742 -20.4742 -7.7315 -7.7315 -7.5800 -7.5800 1.4202 1.4202 1.7529 1.7529 2.0769 2.0769 2.7647 2.7647 2.9325 2.9325 3.4410 3.4410 6.8461 6.8461 7.8558 7.8558 8.8823 8.8823 9.3436 9.3436 k = 0.0000 0.4125-0.0000 ( 10324 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7217 -41.7217 -41.7138 -41.7138 -41.7034 -41.7034 -41.6946 -41.6946 -20.6596 -20.6596 -20.4885 -20.4885 -20.4742 -20.4742 -7.7219 -7.7219 -7.5849 -7.5849 1.4168 1.4168 1.7084 1.7084 2.1038 2.1038 2.7264 2.7264 2.9658 2.9658 3.4168 3.4168 6.8799 6.8799 7.9000 7.9000 8.8702 8.8702 9.3150 9.3150 k = 0.0000 0.4250-0.0000 ( 10330 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7212 -41.7212 -41.7143 -41.7143 -41.7028 -41.7028 -41.6952 -41.6952 -20.6597 -20.6597 -20.4886 -20.4886 -20.4743 -20.4743 -7.7127 -7.7127 -7.5900 -7.5900 1.4165 1.4165 1.6671 1.6671 2.1304 2.1304 2.6898 2.6898 2.9988 2.9988 3.3918 3.3918 6.9101 6.9101 7.9392 7.9392 8.8645 8.8645 9.2872 9.2872 k = 0.0000 0.4375-0.0000 ( 10332 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7207 -41.7207 -41.7149 -41.7149 -41.7021 -41.7021 -41.6958 -41.6958 -20.6598 -20.6598 -20.4887 -20.4887 -20.4743 -20.4743 -7.7040 -7.7040 -7.5952 -7.5952 1.4194 1.4194 1.6287 1.6287 2.1561 2.1561 2.6554 2.6554 3.0312 3.0312 3.3663 3.3663 6.9364 6.9364 7.9727 7.9727 8.8659 8.8659 9.2306 9.2306 k = 0.0000 0.4500-0.0000 ( 10342 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7201 -41.7201 -41.7155 -41.7155 -41.7015 -41.7015 -41.6964 -41.6964 -20.6598 -20.6598 -20.4888 -20.4888 -20.4743 -20.4743 -7.6961 -7.6961 -7.6002 -7.6002 1.4254 1.4254 1.5936 1.5936 2.1804 2.1804 2.6241 2.6241 3.0627 3.0627 3.3405 3.3405 6.9585 6.9585 8.0002 8.0002 8.8745 8.8745 9.1754 9.1754 k = 0.0000 0.4625-0.0000 ( 10340 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7196 -41.7196 -41.7160 -41.7160 -41.7009 -41.7009 -41.6970 -41.6970 -20.6599 -20.6599 -20.4888 -20.4888 -20.4743 -20.4743 -7.6892 -7.6892 -7.6048 -7.6048 1.4346 1.4346 1.5617 1.5617 2.2021 2.2021 2.5969 2.5969 3.0925 3.0925 3.3151 3.3151 6.9761 6.9761 8.0216 8.0216 8.8905 8.8905 9.1228 9.1228 k = 0.0000 0.4750-0.0000 ( 10338 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7191 -41.7191 -41.7166 -41.7166 -41.7002 -41.7002 -41.6977 -41.6977 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6837 -7.6837 -7.6087 -7.6087 1.4468 1.4468 1.5332 1.5332 2.2196 2.2196 2.5754 2.5754 3.1194 3.1194 3.2915 3.2915 6.9889 6.9889 8.0368 8.0368 8.9134 8.9134 9.0735 9.0735 k = 0.0000 0.4875-0.0000 ( 10342 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7186 -41.7186 -41.7171 -41.7171 -41.6996 -41.6996 -41.6983 -41.6983 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6800 -7.6800 -7.6114 -7.6114 1.4614 1.4614 1.5088 1.5088 2.2313 2.2313 2.5613 2.5613 3.1402 3.1402 3.2726 3.2726 6.9966 6.9966 8.0458 8.0458 8.9417 8.9417 9.0293 9.0293 k = 0.0000 0.5000-0.0000 ( 10344 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7183 -41.7183 -41.7173 -41.7173 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6788 -7.6788 -7.6123 -7.6123 1.4723 1.4723 1.4947 1.4947 2.2354 2.2354 2.5564 2.5564 3.1486 3.1486 3.2649 3.2649 6.9992 6.9992 8.0488 8.0488 8.9635 8.9635 9.0022 9.0022 k = 0.0000 0.5000-0.0000 ( 10344 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7183 -41.7183 -41.7173 -41.7173 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6788 -7.6788 -7.6123 -7.6123 1.4723 1.4723 1.4947 1.4947 2.2354 2.2354 2.5564 2.5564 3.1486 3.1486 3.2649 3.2649 6.9992 6.9992 8.0488 8.0488 8.9635 8.9635 9.0022 9.0022 k = 0.0125 0.5000-0.0000 ( 10342 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7183 -41.7183 -41.7173 -41.7173 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6786 -7.6786 -7.6122 -7.6122 1.4730 1.4730 1.4950 1.4950 2.2353 2.2353 2.5563 2.5563 3.1466 3.1466 3.2615 3.2615 7.0032 7.0032 8.0430 8.0430 8.9611 8.9611 8.9984 8.9984 k = 0.0250 0.5000-0.0000 ( 10340 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7183 -41.7183 -41.7173 -41.7173 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6781 -7.6781 -7.6120 -7.6120 1.4751 1.4751 1.4958 1.4958 2.2351 2.2351 2.5561 2.5561 3.1408 3.1408 3.2513 3.2513 7.0152 7.0152 8.0257 8.0257 8.9566 8.9566 8.9871 8.9871 k = 0.0375 0.5000-0.0000 ( 10340 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7183 -41.7183 -41.7174 -41.7174 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4744 -20.4744 -7.6773 -7.6773 -7.6115 -7.6115 1.4786 1.4786 1.4971 1.4971 2.2346 2.2346 2.5556 2.5556 3.1312 3.1312 3.2347 3.2347 7.0347 7.0347 7.9973 7.9973 8.9549 8.9549 8.9687 8.9687 k = 0.0500 0.5000-0.0000 ( 10336 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7184 -41.7184 -41.7174 -41.7174 -41.6990 -41.6990 -41.6989 -41.6989 -20.6600 -20.6600 -20.4890 -20.4890 -20.4744 -20.4744 -7.6762 -7.6762 -7.6109 -7.6109 1.4834 1.4834 1.4989 1.4989 2.2340 2.2340 2.5550 2.5550 3.1179 3.1179 3.2119 3.2119 7.0611 7.0611 7.9583 7.9583 8.9441 8.9441 8.9604 8.9604 k = 0.0625 0.5000-0.0000 ( 10332 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7184 -41.7184 -41.7174 -41.7174 -41.6990 -41.6990 -41.6989 -41.6989 -20.6600 -20.6600 -20.4890 -20.4890 -20.4745 -20.4745 -7.6748 -7.6748 -7.6101 -7.6101 1.4896 1.4896 1.5013 1.5013 2.2331 2.2331 2.5543 2.5543 3.1012 3.1012 3.1834 3.1834 7.0936 7.0936 7.9099 7.9099 8.9143 8.9143 8.9748 8.9748 k = 0.0750 0.5000-0.0000 ( 10324 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7184 -41.7184 -41.7174 -41.7174 -41.6990 -41.6990 -41.6989 -41.6989 -20.6600 -20.6600 -20.4890 -20.4890 -20.4745 -20.4745 -7.6731 -7.6731 -7.6091 -7.6091 1.4970 1.4970 1.5040 1.5040 2.2321 2.2321 2.5534 2.5534 3.0812 3.0812 3.1497 3.1497 7.1309 7.1309 7.8533 7.8533 8.8807 8.8807 8.9991 8.9991 k = 0.0875 0.5000-0.0000 ( 10324 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7184 -41.7184 -41.7175 -41.7175 -41.6990 -41.6990 -41.6989 -41.6989 -20.6601 -20.6601 -20.4891 -20.4891 -20.4746 -20.4746 -7.6710 -7.6710 -7.6080 -7.6080 1.5057 1.5057 1.5072 1.5072 2.2310 2.2310 2.5523 2.5523 3.0583 3.0583 3.1114 3.1114 7.1717 7.1717 7.7899 7.7899 8.8449 8.8449 9.0331 9.0331 k = 0.1000 0.5000-0.0000 ( 10318 PWs) bands (ev): -48.5782 -48.5782 -42.8991 -42.8991 -41.7184 -41.7184 -41.7175 -41.7175 -41.6990 -41.6990 -41.6989 -41.6989 -20.6601 -20.6601 -20.4891 -20.4891 -20.4747 -20.4747 -7.6688 -7.6688 -7.6067 -7.6067 1.5108 1.5108 1.5155 1.5155 2.2296 2.2296 2.5511 2.5511 3.0327 3.0327 3.0692 3.0692 7.2143 7.2143 7.7211 7.7211 8.8087 8.8087 9.0761 9.0761 k = 0.1125 0.5000-0.0000 ( 10314 PWs) bands (ev): -48.5782 -48.5782 -42.8990 -42.8990 -41.7184 -41.7184 -41.7175 -41.7175 -41.6990 -41.6990 -41.6989 -41.6989 -20.6602 -20.6602 -20.4891 -20.4891 -20.4747 -20.4747 -7.6662 -7.6662 -7.6052 -7.6052 1.5148 1.5148 1.5264 1.5264 2.2282 2.2282 2.5497 2.5497 3.0048 3.0048 3.0237 3.0237 7.2567 7.2567 7.6481 7.6481 8.7744 8.7744 9.1273 9.1273 k = 0.1250 0.5000-0.0000 ( 10318 PWs) bands (ev): -48.5782 -48.5782 -42.8990 -42.8990 -41.7184 -41.7184 -41.7176 -41.7176 -41.6990 -41.6990 -41.6989 -41.6989 -20.6603 -20.6603 -20.4892 -20.4892 -20.4748 -20.4748 -7.6634 -7.6634 -7.6036 -7.6036 1.5190 1.5190 1.5383 1.5383 2.2265 2.2265 2.5482 2.5482 2.9749 2.9749 2.9757 2.9757 7.2965 7.2965 7.5720 7.5720 8.7442 8.7442 9.1858 9.1858 k = 0.1375 0.5000-0.0000 ( 10310 PWs) bands (ev): -48.5782 -48.5782 -42.8989 -42.8989 -41.7184 -41.7184 -41.7176 -41.7176 -41.6989 -41.6989 -41.6989 -41.6989 -20.6603 -20.6603 -20.4893 -20.4893 -20.4749 -20.4749 -7.6603 -7.6603 -7.6019 -7.6019 1.5235 1.5235 1.5510 1.5510 2.2248 2.2248 2.5466 2.5466 2.9256 2.9256 2.9433 2.9433 7.3312 7.3312 7.4938 7.4938 8.7209 8.7209 9.2508 9.2508 k = 0.1500 0.5000-0.0000 ( 10310 PWs) bands (ev): -48.5782 -48.5782 -42.8988 -42.8988 -41.7185 -41.7185 -41.7177 -41.7177 -41.6989 -41.6989 -41.6989 -41.6989 -20.6604 -20.6604 -20.4893 -20.4893 -20.4750 -20.4750 -7.6571 -7.6571 -7.6001 -7.6001 1.5281 1.5281 1.5643 1.5643 2.2229 2.2229 2.5448 2.5448 2.8742 2.8742 2.9105 2.9105 7.3582 7.3582 7.4141 7.4141 8.7071 8.7071 9.3212 9.3212 k = 0.1625 0.5000-0.0000 ( 10316 PWs) bands (ev): -48.5782 -48.5782 -42.8988 -42.8988 -41.7185 -41.7185 -41.7177 -41.7177 -41.6989 -41.6989 -41.6988 -41.6988 -20.6605 -20.6605 -20.4894 -20.4894 -20.4751 -20.4751 -7.6536 -7.6536 -7.5981 -7.5981 1.5329 1.5329 1.5782 1.5782 2.2209 2.2209 2.5430 2.5430 2.8221 2.8221 2.8768 2.8768 7.3337 7.3337 7.3751 7.3751 8.7053 8.7053 9.3960 9.3960 k = 0.1750 0.5000-0.0000 ( 10316 PWs) bands (ev): -48.5781 -48.5781 -42.8987 -42.8987 -41.7185 -41.7185 -41.7178 -41.7178 -41.6989 -41.6989 -41.6988 -41.6988 -20.6606 -20.6606 -20.4895 -20.4895 -20.4753 -20.4753 -7.6500 -7.6500 -7.5961 -7.5961 1.5376 1.5376 1.5925 1.5925 2.2189 2.2189 2.5411 2.5411 2.7699 2.7699 2.8424 2.8424 7.2531 7.2531 7.3800 7.3800 8.7173 8.7173 9.4743 9.4743 k = 0.1875 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5781 -48.5781 -42.8986 -42.8986 -41.7185 -41.7185 -41.7178 -41.7178 -41.6989 -41.6989 -41.6988 -41.6988 -20.6606 -20.6606 -20.4895 -20.4895 -20.4754 -20.4754 -7.6462 -7.6462 -7.5939 -7.5939 1.5423 1.5423 1.6068 1.6068 2.2167 2.2167 2.5391 2.5391 2.7183 2.7183 2.8079 2.8079 7.1727 7.1727 7.3721 7.3721 8.7438 8.7438 9.5547 9.5547 k = 0.2000 0.5000-0.0000 ( 10308 PWs) bands (ev): -48.5781 -48.5781 -42.8986 -42.8986 -41.7186 -41.7186 -41.7179 -41.7179 -41.6989 -41.6989 -41.6988 -41.6988 -20.6607 -20.6607 -20.4896 -20.4896 -20.4755 -20.4755 -7.6423 -7.6423 -7.5917 -7.5917 1.5469 1.5469 1.6210 1.6210 2.2144 2.2144 2.5370 2.5370 2.6677 2.6677 2.7735 2.7735 7.0930 7.0930 7.3518 7.3518 8.7845 8.7845 9.6361 9.6361 k = 0.2125 0.5000-0.0000 ( 10302 PWs) bands (ev): -48.5781 -48.5781 -42.8985 -42.8985 -41.7186 -41.7186 -41.7180 -41.7180 -41.6989 -41.6989 -41.6988 -41.6988 -20.6608 -20.6608 -20.4897 -20.4897 -20.4756 -20.4756 -7.6382 -7.6382 -7.5894 -7.5894 1.5512 1.5512 1.6347 1.6347 2.2121 2.2121 2.5348 2.5348 2.6188 2.6188 2.7394 2.7394 7.0143 7.0143 7.3201 7.3201 8.8381 8.8381 9.7169 9.7169 k = 0.2250 0.5000-0.0000 ( 10300 PWs) bands (ev): -48.5780 -48.5780 -42.8984 -42.8984 -41.7186 -41.7186 -41.7180 -41.7180 -41.6988 -41.6988 -41.6988 -41.6988 -20.6609 -20.6609 -20.4898 -20.4898 -20.4757 -20.4757 -7.6341 -7.6341 -7.5871 -7.5871 1.5551 1.5551 1.6476 1.6476 2.2098 2.2098 2.5325 2.5325 2.5722 2.5722 2.7061 2.7061 6.9368 6.9368 7.2789 7.2789 8.9029 8.9029 9.7952 9.7952 k = 0.2375 0.5000-0.0000 ( 10296 PWs) bands (ev): -48.5780 -48.5780 -42.8983 -42.8983 -41.7186 -41.7186 -41.7181 -41.7181 -41.6988 -41.6988 -41.6988 -41.6988 -20.6610 -20.6610 -20.4899 -20.4899 -20.4758 -20.4758 -7.6299 -7.6299 -7.5848 -7.5848 1.5587 1.5587 1.6593 1.6593 2.2074 2.2074 2.5257 2.5257 2.5330 2.5330 2.6738 2.6738 6.8610 6.8610 7.2301 7.2301 8.9767 8.9767 9.8693 9.8693 k = 0.2500 0.5000-0.0000 ( 10288 PWs) bands (ev): -48.5780 -48.5780 -42.8982 -42.8982 -41.7187 -41.7187 -41.7182 -41.7182 -41.6988 -41.6988 -41.6988 -41.6988 -20.6611 -20.6611 -20.4900 -20.4900 -20.4759 -20.4759 -7.6257 -7.6257 -7.5824 -7.5824 1.5618 1.5618 1.6693 1.6693 2.2050 2.2050 2.4874 2.4874 2.5287 2.5287 2.6428 2.6428 6.7870 6.7870 7.1754 7.1754 9.0575 9.0575 9.9374 9.9374 k = 0.2625 0.5000-0.0000 ( 10296 PWs) bands (ev): -48.5780 -48.5780 -42.8982 -42.8982 -41.7187 -41.7187 -41.7182 -41.7182 -41.6988 -41.6988 -41.6988 -41.6988 -20.6612 -20.6612 -20.4901 -20.4901 -20.4760 -20.4760 -7.6214 -7.6214 -7.5800 -7.5800 1.5642 1.5642 1.6772 1.6772 2.2026 2.2026 2.4511 2.4511 2.5263 2.5263 2.6133 2.6133 6.7151 6.7151 7.1167 7.1167 9.1437 9.1437 9.9986 9.9986 k = 0.2750 0.5000-0.0000 ( 10304 PWs) bands (ev): -48.5779 -48.5779 -42.8981 -42.8981 -41.7187 -41.7187 -41.7183 -41.7183 -41.6988 -41.6988 -41.6987 -41.6987 -20.6613 -20.6613 -20.4902 -20.4902 -20.4762 -20.4762 -7.6172 -7.6172 -7.5776 -7.5776 1.5661 1.5661 1.6825 1.6825 2.2003 2.2003 2.4193 2.4193 2.5241 2.5241 2.5854 2.5854 6.6454 6.6454 7.0552 7.0552 9.2335 9.2335 10.0525 10.0525 k = 0.2875 0.5000-0.0000 ( 10304 PWs) bands (ev): -48.5779 -48.5779 -42.8980 -42.8980 -41.7188 -41.7188 -41.7184 -41.7184 -41.6988 -41.6988 -41.6987 -41.6987 -20.6614 -20.6614 -20.4903 -20.4903 -20.4763 -20.4763 -7.6130 -7.6130 -7.5753 -7.5753 1.5672 1.5672 1.6850 1.6850 2.1979 2.1979 2.3923 2.3923 2.5219 2.5219 2.5594 2.5594 6.5782 6.5782 6.9921 6.9921 9.3256 9.3256 10.0993 10.0993 k = 0.3000 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5779 -48.5779 -42.8979 -42.8979 -41.7188 -41.7188 -41.7184 -41.7184 -41.6987 -41.6987 -41.6987 -41.6987 -20.6615 -20.6615 -20.4904 -20.4904 -20.4764 -20.4764 -7.6089 -7.6089 -7.5730 -7.5730 1.5676 1.5676 1.6844 1.6844 2.1956 2.1956 2.3705 2.3705 2.5195 2.5195 2.5356 2.5356 6.5138 6.5138 6.9286 6.9286 9.4189 9.4189 10.1400 10.1400 k = 0.3125 0.5000-0.0000 ( 10308 PWs) bands (ev): -48.5779 -48.5779 -42.8979 -42.8979 -41.7188 -41.7188 -41.7185 -41.7185 -41.6987 -41.6987 -41.6987 -41.6987 -20.6616 -20.6616 -20.4905 -20.4905 -20.4765 -20.4765 -7.6049 -7.6049 -7.5707 -7.5707 1.5673 1.5673 1.6805 1.6805 2.1933 2.1933 2.3540 2.3540 2.5123 2.5123 2.5187 2.5187 6.4521 6.4521 6.8654 6.8654 9.5121 9.5121 10.1754 10.1754 k = 0.3250 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5778 -48.5778 -42.8978 -42.8978 -41.7188 -41.7188 -41.7186 -41.7186 -41.6987 -41.6987 -41.6987 -41.6987 -20.6617 -20.6617 -20.4906 -20.4906 -20.4765 -20.4765 -7.6009 -7.6009 -7.5686 -7.5686 1.5662 1.5662 1.6736 1.6736 2.1912 2.1912 2.3426 2.3426 2.4931 2.4931 2.5160 2.5160 6.3936 6.3936 6.8032 6.8032 9.6044 9.6044 10.2062 10.2062 k = 0.3375 0.5000-0.0000 ( 10316 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7189 -41.7189 -41.7186 -41.7186 -41.6987 -41.6987 -41.6987 -41.6987 -20.6618 -20.6618 -20.4907 -20.4907 -20.4766 -20.4766 -7.5972 -7.5972 -7.5665 -7.5665 1.5645 1.5645 1.6640 1.6640 2.1891 2.1891 2.3358 2.3358 2.4754 2.4754 2.5140 2.5140 6.3382 6.3382 6.7428 6.7428 9.6949 9.6949 10.2331 10.2331 k = 0.3500 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7189 -41.7189 -41.7187 -41.7187 -41.6987 -41.6987 -41.6987 -41.6987 -20.6618 -20.6618 -20.4908 -20.4908 -20.4767 -20.4767 -7.5936 -7.5936 -7.5645 -7.5645 1.5622 1.5622 1.6523 1.6523 2.1871 2.1871 2.3331 2.3331 2.4597 2.4597 2.5121 2.5121 6.2862 6.2862 6.6846 6.6846 9.7826 9.7826 10.2567 10.2567 k = 0.3625 0.5000-0.0000 ( 10324 PWs) bands (ev): -48.5778 -48.5778 -42.8976 -42.8976 -41.7189 -41.7189 -41.7187 -41.7187 -41.6987 -41.6987 -41.6987 -41.6987 -20.6619 -20.6619 -20.4909 -20.4909 -20.4768 -20.4768 -7.5902 -7.5902 -7.5626 -7.5626 1.5593 1.5593 1.6389 1.6389 2.1852 2.1852 2.3339 2.3339 2.4460 2.4460 2.5104 2.5104 6.2378 6.2378 6.6292 6.6292 9.8669 9.8669 10.2774 10.2774 k = 0.3750 0.5000-0.0000 ( 10320 PWs) bands (ev): -48.5777 -48.5777 -42.8975 -42.8975 -41.7189 -41.7189 -41.7188 -41.7188 -41.6987 -41.6987 -41.6987 -41.6987 -20.6620 -20.6620 -20.4910 -20.4910 -20.4768 -20.4768 -7.5870 -7.5870 -7.5608 -7.5608 1.5561 1.5561 1.6246 1.6246 2.1834 2.1834 2.3373 2.3373 2.4342 2.4342 2.5088 2.5088 6.1930 6.1930 6.5771 6.5771 9.9469 9.9469 10.2955 10.2955 k = 0.3875 0.5000-0.0000 ( 10326 PWs) bands (ev): -48.5777 -48.5777 -42.8975 -42.8975 -41.7190 -41.7190 -41.7188 -41.7188 -41.6987 -41.6987 -41.6987 -41.6987 -20.6621 -20.6621 -20.4910 -20.4910 -20.4769 -20.4769 -7.5840 -7.5840 -7.5591 -7.5591 1.5526 1.5526 1.6099 1.6099 2.1818 2.1818 2.3427 2.3427 2.4241 2.4241 2.5073 2.5073 6.1520 6.1520 6.5286 6.5286 10.0219 10.0219 10.3113 10.3113 k = 0.4000 0.5000-0.0000 ( 10322 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7190 -41.7190 -41.7189 -41.7189 -41.6987 -41.6987 -41.6986 -41.6986 -20.6621 -20.6621 -20.4911 -20.4911 -20.4770 -20.4770 -7.5813 -7.5813 -7.5576 -7.5576 1.5490 1.5490 1.5955 1.5955 2.1803 2.1803 2.3493 2.3493 2.4156 2.4156 2.5059 2.5059 6.1149 6.1149 6.4841 6.4841 10.0912 10.0912 10.3249 10.3249 k = 0.4125 0.5000-0.0000 ( 10322 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7190 -41.7190 -41.7189 -41.7189 -41.6987 -41.6987 -41.6986 -41.6986 -20.6622 -20.6622 -20.4912 -20.4912 -20.4770 -20.4770 -7.5789 -7.5789 -7.5563 -7.5563 1.5453 1.5453 1.5817 1.5817 2.1790 2.1790 2.3565 2.3565 2.4087 2.4087 2.5047 2.5047 6.0819 6.0819 6.4440 6.4440 10.1542 10.1542 10.3366 10.3366 k = 0.4250 0.5000-0.0000 ( 10336 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7190 -41.7190 -41.7189 -41.7189 -41.6987 -41.6987 -41.6986 -41.6986 -20.6622 -20.6622 -20.4912 -20.4912 -20.4770 -20.4770 -7.5768 -7.5768 -7.5551 -7.5551 1.5419 1.5419 1.5691 1.5691 2.1778 2.1778 2.3638 2.3638 2.4030 2.4030 2.5036 2.5036 6.0531 6.0531 6.4086 6.4086 10.2102 10.2102 10.3466 10.3466 k = 0.4375 0.5000-0.0000 ( 10316 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6623 -20.6623 -20.4913 -20.4913 -20.4771 -20.4771 -7.5749 -7.5749 -7.5541 -7.5541 1.5386 1.5386 1.5579 1.5579 2.1768 2.1768 2.3708 2.3708 2.3985 2.3985 2.5027 2.5027 6.0285 6.0285 6.3781 6.3781 10.2586 10.2586 10.3548 10.3548 k = 0.4500 0.5000-0.0000 ( 10324 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6623 -20.6623 -20.4913 -20.4913 -20.4771 -20.4771 -7.5734 -7.5734 -7.5532 -7.5532 1.5358 1.5358 1.5485 1.5485 2.1759 2.1759 2.3770 2.3770 2.3950 2.3950 2.5020 2.5020 6.0083 6.0083 6.3529 6.3529 10.2989 10.2989 10.3615 10.3615 k = 0.4625 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6623 -20.6623 -20.4914 -20.4914 -20.4771 -20.4771 -7.5722 -7.5722 -7.5526 -7.5526 1.5334 1.5334 1.5410 1.5410 2.1753 2.1753 2.3822 2.3822 2.3924 2.3924 2.5014 2.5014 5.9924 5.9924 6.3330 6.3330 10.3307 10.3307 10.3668 10.3668 k = 0.4750 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5714 -7.5714 -7.5521 -7.5521 1.5314 1.5314 1.5358 1.5358 2.1748 2.1748 2.3860 2.3860 2.3907 2.3907 2.5009 2.5009 5.9811 5.9811 6.3187 6.3187 10.3532 10.3532 10.3710 10.3710 k = 0.4875 0.5000-0.0000 ( 10312 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5709 -7.5709 -7.5518 -7.5518 1.5298 1.5298 1.5330 1.5330 2.1745 2.1745 2.3883 2.3883 2.3897 2.3897 2.5007 2.5007 5.9743 5.9743 6.3101 6.3101 10.3655 10.3655 10.3747 10.3747 k = 0.5000 0.5000-0.0000 ( 10300 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5707 -7.5707 -7.5517 -7.5517 1.5291 1.5291 1.5322 1.5322 2.1744 2.1744 2.3888 2.3888 2.3897 2.3897 2.5006 2.5006 5.9720 5.9720 6.3072 6.3072 10.3686 10.3686 10.3769 10.3769 k = 0.5000 0.5000-0.0000 ( 10300 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5707 -7.5707 -7.5517 -7.5517 1.5291 1.5291 1.5322 1.5322 2.1744 2.1744 2.3888 2.3888 2.3897 2.3897 2.5006 2.5006 5.9720 5.9720 6.3072 6.3072 10.3686 10.3686 10.3769 10.3769 k = 0.4912 0.4912-0.0000 ( 10314 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5709 -7.5709 -7.5518 -7.5518 1.5298 1.5298 1.5329 1.5329 2.1745 2.1745 2.3879 2.3879 2.3901 2.3901 2.5007 2.5007 5.9743 5.9743 6.3100 6.3100 10.3656 10.3656 10.3746 10.3746 k = 0.4825 0.4825-0.0000 ( 10314 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7191 -41.7191 -41.7190 -41.7190 -41.6987 -41.6987 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5714 -7.5714 -7.5521 -7.5521 1.5317 1.5317 1.5354 1.5354 2.1748 2.1748 2.3843 2.3843 2.3924 2.3924 2.5010 2.5010 5.9809 5.9809 6.3186 6.3186 10.3540 10.3540 10.3704 10.3704 k = 0.4737 0.4737-0.0000 ( 10308 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7191 -41.7191 -41.7189 -41.7189 -41.6987 -41.6987 -41.6985 -41.6985 -20.6623 -20.6623 -20.4914 -20.4914 -20.4771 -20.4771 -7.5723 -7.5723 -7.5524 -7.5524 1.5345 1.5345 1.5399 1.5399 2.1752 2.1752 2.3782 2.3782 2.3963 2.3963 2.5015 2.5015 5.9919 5.9919 6.3328 6.3328 10.3327 10.3327 10.3655 10.3655 k = 0.4649 0.4649-0.0000 ( 10310 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7192 -41.7192 -41.7188 -41.7188 -41.6988 -41.6988 -41.6984 -41.6984 -20.6623 -20.6623 -20.4913 -20.4913 -20.4771 -20.4771 -7.5738 -7.5738 -7.5528 -7.5528 1.5381 1.5381 1.5464 1.5464 2.1755 2.1755 2.3698 2.3698 2.4018 2.4018 2.5024 2.5024 6.0071 6.0071 6.3528 6.3528 10.3026 10.3026 10.3593 10.3593 k = 0.4561 0.4561-0.0000 ( 10308 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7193 -41.7193 -41.7187 -41.7187 -41.6989 -41.6989 -41.6983 -41.6983 -20.6623 -20.6623 -20.4913 -20.4913 -20.4771 -20.4771 -7.5758 -7.5758 -7.5532 -7.5532 1.5426 1.5426 1.5550 1.5550 2.1758 2.1758 2.3593 2.3593 2.4088 2.4088 2.5038 2.5038 6.0261 6.0261 6.3784 6.3784 10.2642 10.2642 10.3515 10.3515 k = 0.4474 0.4474-0.0000 ( 10312 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7194 -41.7194 -41.7186 -41.7186 -41.6991 -41.6991 -41.6982 -41.6982 -20.6622 -20.6622 -20.4912 -20.4912 -20.4771 -20.4771 -7.5785 -7.5785 -7.5534 -7.5534 1.5480 1.5480 1.5656 1.5656 2.1758 2.1758 2.3468 2.3468 2.4174 2.4174 2.5059 2.5059 6.0488 6.0488 6.4098 6.4098 10.2180 10.2180 10.3422 10.3422 k = 0.4386 0.4386-0.0000 ( 10311 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7195 -41.7195 -41.7184 -41.7184 -41.6992 -41.6992 -41.6981 -41.6981 -20.6622 -20.6622 -20.4912 -20.4912 -20.4770 -20.4770 -7.5819 -7.5819 -7.5534 -7.5534 1.5542 1.5542 1.5780 1.5780 2.1753 2.1753 2.3325 2.3325 2.4275 2.4275 2.5089 2.5089 6.0749 6.0749 6.4467 6.4467 10.1645 10.1645 10.3313 10.3313 k = 0.4298 0.4298-0.0000 ( 10309 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7196 -41.7196 -41.7182 -41.7182 -41.6994 -41.6994 -41.6979 -41.6979 -20.6621 -20.6621 -20.4911 -20.4911 -20.4770 -20.4770 -7.5859 -7.5859 -7.5532 -7.5532 1.5614 1.5614 1.5924 1.5924 2.1742 2.1742 2.3168 2.3168 2.4391 2.4391 2.5130 2.5130 6.1040 6.1040 6.4892 6.4892 10.1041 10.1041 10.3190 10.3190 k = 0.4211 0.4211-0.0000 ( 10309 PWs) bands (ev): -48.5777 -48.5777 -42.8975 -42.8975 -41.7198 -41.7198 -41.7180 -41.7180 -41.6996 -41.6996 -41.6977 -41.6977 -20.6621 -20.6621 -20.4910 -20.4910 -20.4769 -20.4769 -7.5906 -7.5906 -7.5529 -7.5529 1.5695 1.5695 1.6086 1.6086 2.1722 2.1722 2.2998 2.2998 2.4522 2.4522 2.5184 2.5184 6.1359 6.1359 6.5371 6.5371 10.0373 10.0373 10.3052 10.3052 k = 0.4123 0.4123-0.0000 ( 10321 PWs) bands (ev): -48.5777 -48.5777 -42.8976 -42.8976 -41.7199 -41.7199 -41.7178 -41.7178 -41.6999 -41.6999 -41.6975 -41.6975 -20.6620 -20.6620 -20.4909 -20.4909 -20.4769 -20.4769 -7.5959 -7.5959 -7.5524 -7.5524 1.5785 1.5785 1.6267 1.6267 2.1693 2.1693 2.2817 2.2817 2.4669 2.4669 2.5254 2.5254 6.1702 6.1702 6.5900 6.5900 9.9647 9.9647 10.2900 10.2900 k = 0.4035 0.4035-0.0000 ( 10325 PWs) bands (ev): -48.5778 -48.5778 -42.8976 -42.8976 -41.7201 -41.7201 -41.7175 -41.7175 -41.7001 -41.7001 -41.6972 -41.6972 -20.6619 -20.6619 -20.4908 -20.4908 -20.4768 -20.4768 -7.6018 -7.6018 -7.5518 -7.5518 1.5884 1.5884 1.6467 1.6467 2.1651 2.1651 2.2629 2.2629 2.4830 2.4830 2.5340 2.5340 6.2068 6.2068 6.6479 6.6479 9.8868 9.8868 10.2736 10.2736 k = 0.3947 0.3947-0.0000 ( 10317 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7203 -41.7203 -41.7172 -41.7172 -41.7004 -41.7004 -41.6970 -41.6970 -20.6618 -20.6618 -20.4907 -20.4907 -20.4767 -20.4767 -7.6083 -7.6083 -7.5511 -7.5511 1.5990 1.5990 1.6685 1.6685 2.1597 2.1597 2.2436 2.2436 2.5005 2.5005 2.5446 2.5446 6.2454 6.2454 6.7103 6.7103 9.8041 9.8041 10.2560 10.2560 k = 0.3860 0.3860-0.0000 ( 10323 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7205 -41.7205 -41.7170 -41.7170 -41.7007 -41.7007 -41.6967 -41.6967 -20.6617 -20.6617 -20.4906 -20.4906 -20.4766 -20.4766 -7.6153 -7.6153 -7.5503 -7.5503 1.6105 1.6105 1.6920 1.6920 2.1529 2.1529 2.2241 2.2241 2.5195 2.5195 2.5572 2.5572 6.2856 6.2856 6.7769 6.7769 9.7172 9.7172 10.2373 10.2373 k = 0.3772 0.3772-0.0000 ( 10313 PWs) bands (ev): -48.5778 -48.5778 -42.8978 -42.8978 -41.7207 -41.7207 -41.7166 -41.7166 -41.7010 -41.7010 -41.6964 -41.6964 -20.6616 -20.6616 -20.4905 -20.4905 -20.4766 -20.4766 -7.6227 -7.6227 -7.5495 -7.5495 1.6229 1.6229 1.7174 1.7174 2.1447 2.1447 2.2044 2.2044 2.5399 2.5399 2.5717 2.5717 6.3271 6.3271 6.8474 6.8474 9.6267 9.6267 10.2176 10.2176 k = 0.3684 0.3684-0.0000 ( 10301 PWs) bands (ev): -48.5779 -48.5779 -42.8979 -42.8979 -41.7210 -41.7210 -41.7163 -41.7163 -41.7014 -41.7014 -41.6961 -41.6961 -20.6615 -20.6615 -20.4904 -20.4904 -20.4765 -20.4765 -7.6307 -7.6307 -7.5486 -7.5486 1.6359 1.6359 1.7445 1.7445 2.1352 2.1352 2.1850 2.1850 2.5617 2.5617 2.5883 2.5883 6.3697 6.3697 6.9212 6.9212 9.5329 9.5329 10.1971 10.1971 k = 0.3596 0.3596-0.0000 ( 10297 PWs) bands (ev): -48.5779 -48.5779 -42.8980 -42.8980 -41.7212 -41.7212 -41.7159 -41.7159 -41.7017 -41.7017 -41.6958 -41.6958 -20.6614 -20.6614 -20.4902 -20.4902 -20.4764 -20.4764 -7.6390 -7.6390 -7.5477 -7.5477 1.6497 1.6497 1.7734 1.7734 2.1245 2.1245 2.1660 2.1660 2.5847 2.5847 2.6070 2.6070 6.4129 6.4129 6.9981 6.9981 9.4366 9.4366 10.1757 10.1757 k = 0.3509 0.3509-0.0000 ( 10305 PWs) bands (ev): -48.5779 -48.5779 -42.8981 -42.8981 -41.7215 -41.7215 -41.7156 -41.7156 -41.7021 -41.7021 -41.6954 -41.6954 -20.6613 -20.6613 -20.4901 -20.4901 -20.4763 -20.4763 -7.6478 -7.6478 -7.5467 -7.5467 1.6643 1.6643 1.8039 1.8039 2.1125 2.1125 2.1476 2.1476 2.6091 2.6091 2.6276 2.6276 6.4563 6.4563 7.0776 7.0776 9.3381 9.3381 10.1536 10.1536 k = 0.3421 0.3421-0.0000 ( 10293 PWs) bands (ev): -48.5779 -48.5779 -42.8981 -42.8981 -41.7218 -41.7218 -41.7152 -41.7152 -41.7025 -41.7025 -41.6951 -41.6951 -20.6612 -20.6612 -20.4899 -20.4899 -20.4762 -20.4762 -7.6569 -7.6569 -7.5457 -7.5457 1.6795 1.6795 1.8362 1.8362 2.0994 2.0994 2.1300 2.1300 2.6347 2.6347 2.6501 2.6501 6.4992 6.4992 7.1592 7.1592 9.2380 9.2380 10.1310 10.1310 k = 0.3333 0.3333-0.0000 ( 10285 PWs) bands (ev): -48.5780 -48.5780 -42.8982 -42.8982 -41.7220 -41.7220 -41.7148 -41.7148 -41.7029 -41.7029 -41.6947 -41.6947 -20.6610 -20.6610 -20.4898 -20.4898 -20.4761 -20.4761 -7.6663 -7.6663 -7.5448 -7.5448 1.6953 1.6953 1.8701 1.8701 2.0854 2.0854 2.1133 2.1133 2.6615 2.6615 2.6744 2.6744 6.5413 6.5413 7.2425 7.2425 9.1367 9.1367 10.1079 10.1079 k = 0.3246 0.3246-0.0000 ( 10281 PWs) bands (ev): -48.5780 -48.5780 -42.8983 -42.8983 -41.7223 -41.7223 -41.7144 -41.7144 -41.7033 -41.7033 -41.6943 -41.6943 -20.6609 -20.6609 -20.4896 -20.4896 -20.4760 -20.4760 -7.6761 -7.6761 -7.5438 -7.5438 1.7117 1.7117 1.9055 1.9055 2.0705 2.0705 2.0977 2.0977 2.6894 2.6894 2.7005 2.7005 6.5816 6.5816 7.3270 7.3270 9.0349 9.0349 10.0845 10.0845 k = 0.3158 0.3158-0.0000 ( 10275 PWs) bands (ev): -48.5780 -48.5780 -42.8984 -42.8984 -41.7226 -41.7226 -41.7139 -41.7139 -41.7037 -41.7037 -41.6940 -41.6940 -20.6607 -20.6607 -20.4894 -20.4894 -20.4759 -20.4759 -7.6861 -7.6861 -7.5429 -7.5429 1.7287 1.7287 1.9425 1.9425 2.0549 2.0549 2.0834 2.0834 2.7184 2.7184 2.7282 2.7282 6.6195 6.6195 7.4123 7.4123 8.9330 8.9330 10.0608 10.0608 k = 0.3070 0.3070-0.0000 ( 10277 PWs) bands (ev): -48.5781 -48.5781 -42.8985 -42.8985 -41.7229 -41.7229 -41.7135 -41.7135 -41.7041 -41.7041 -41.6936 -41.6936 -20.6606 -20.6606 -20.4892 -20.4892 -20.4758 -20.4758 -7.6963 -7.6963 -7.5420 -7.5420 1.7463 1.7463 1.9807 1.9807 2.0387 2.0387 2.0708 2.0708 2.7484 2.7484 2.7575 2.7575 6.6540 6.6540 7.4977 7.4977 8.8319 8.8319 10.0370 10.0370 k = 0.2982 0.2982-0.0000 ( 10285 PWs) bands (ev): -48.5781 -48.5781 -42.8986 -42.8986 -41.7233 -41.7233 -41.7130 -41.7130 -41.7046 -41.7046 -41.6932 -41.6932 -20.6604 -20.6604 -20.4891 -20.4891 -20.4757 -20.4757 -7.7067 -7.7067 -7.5412 -7.5412 1.7643 1.7643 2.0185 2.0185 2.0221 2.0221 2.0614 2.0614 2.7794 2.7794 2.7881 2.7881 6.6844 6.6844 7.5825 7.5825 8.7322 8.7322 10.0131 10.0131 k = 0.2895 0.2895-0.0000 ( 10289 PWs) bands (ev): -48.5781 -48.5781 -42.8988 -42.8988 -41.7236 -41.7236 -41.7126 -41.7126 -41.7050 -41.7050 -41.6927 -41.6927 -20.6603 -20.6603 -20.4889 -20.4889 -20.4756 -20.4756 -7.7173 -7.7173 -7.5404 -7.5404 1.7827 1.7827 2.0048 2.0048 2.0396 2.0396 2.0719 2.0719 2.8115 2.8115 2.8200 2.8200 6.7095 6.7095 7.6655 7.6655 8.6355 8.6355 9.9894 9.9894 k = 0.2807 0.2807-0.0000 ( 10297 PWs) bands (ev): -48.5782 -48.5782 -42.8989 -42.8989 -41.7239 -41.7239 -41.7121 -41.7121 -41.7055 -41.7055 -41.6923 -41.6923 -20.6601 -20.6601 -20.4887 -20.4887 -20.4754 -20.4754 -7.7280 -7.7280 -7.5396 -7.5396 1.8015 1.8015 1.9873 1.9873 2.0351 2.0351 2.1111 2.1111 2.8445 2.8445 2.8530 2.8530 6.7286 6.7286 7.7448 7.7448 8.5437 8.5437 9.9658 9.9658 k = 0.2719 0.2719-0.0000 ( 10297 PWs) bands (ev): -48.5782 -48.5782 -42.8990 -42.8990 -41.7243 -41.7243 -41.7117 -41.7117 -41.7059 -41.7059 -41.6919 -41.6919 -20.6600 -20.6600 -20.4885 -20.4885 -20.4753 -20.4753 -7.7388 -7.7388 -7.5390 -7.5390 1.8207 1.8207 1.9696 1.9696 2.0287 2.0287 2.1553 2.1553 2.8784 2.8784 2.8870 2.8870 6.7408 6.7408 7.8165 7.8165 8.4610 8.4610 9.9425 9.9425 k = 0.2632 0.2632-0.0000 ( 10295 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7246 -41.7246 -41.7112 -41.7112 -41.7064 -41.7064 -41.6915 -41.6915 -20.6598 -20.6598 -20.4883 -20.4883 -20.4752 -20.4752 -7.7497 -7.7497 -7.5383 -7.5383 1.8401 1.8401 1.9517 1.9517 2.0234 2.0234 2.2015 2.2015 2.9132 2.9132 2.9219 2.9219 6.7453 6.7453 7.8728 7.8728 8.3954 8.3954 9.9196 9.9196 k = 0.2544 0.2544-0.0000 ( 10295 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7249 -41.7249 -41.7107 -41.7107 -41.7068 -41.7068 -41.6911 -41.6911 -20.6596 -20.6596 -20.4881 -20.4881 -20.4751 -20.4751 -7.7606 -7.7606 -7.5378 -7.5378 1.8598 1.8598 1.9337 1.9337 2.0196 2.0196 2.2493 2.2493 2.9487 2.9487 2.9575 2.9575 6.7417 6.7417 7.9003 7.9003 8.3605 8.3605 9.8972 9.8972 k = 0.2456 0.2456-0.0000 ( 10295 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7253 -41.7253 -41.7103 -41.7103 -41.7073 -41.7073 -41.6906 -41.6906 -20.6595 -20.6595 -20.4879 -20.4879 -20.4749 -20.4749 -7.7715 -7.7715 -7.5373 -7.5373 1.8796 1.8796 1.9158 1.9158 2.0173 2.0173 2.2986 2.2986 2.9849 2.9849 2.9938 2.9938 6.7296 6.7296 7.8868 7.8868 8.3687 8.3687 9.8753 9.8753 k = 0.2368 0.2368-0.0000 ( 10291 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7256 -41.7256 -41.7098 -41.7098 -41.7078 -41.7078 -41.6902 -41.6902 -20.6593 -20.6593 -20.4877 -20.4877 -20.4748 -20.4748 -7.7823 -7.7823 -7.5369 -7.5369 1.8961 1.8961 1.9014 1.9014 2.0166 2.0166 2.3494 2.3494 3.0217 3.0217 3.0307 3.0307 6.7092 6.7092 7.8369 7.8369 8.4156 8.4156 9.8540 9.8540 k = 0.2281 0.2281-0.0000 ( 10295 PWs) bands (ev): -48.5784 -48.5784 -42.8995 -42.8995 -41.7259 -41.7259 -41.7093 -41.7093 -41.7082 -41.7082 -41.6898 -41.6898 -20.6591 -20.6591 -20.4874 -20.4874 -20.4747 -20.4747 -7.7931 -7.7931 -7.5365 -7.5365 1.8798 1.8798 1.9199 1.9199 2.0176 2.0176 2.4016 2.4016 3.0590 3.0590 3.0680 3.0680 6.6806 6.6806 7.7652 7.7652 8.4867 8.4867 9.8334 9.8334 k = 0.2193 0.2193-0.0000 ( 10285 PWs) bands (ev): -48.5784 -48.5784 -42.8996 -42.8996 -41.7262 -41.7262 -41.7089 -41.7089 -41.7087 -41.7087 -41.6893 -41.6893 -20.6590 -20.6590 -20.4872 -20.4872 -20.4746 -20.4746 -7.8038 -7.8038 -7.5362 -7.5362 1.8623 1.8623 1.9399 1.9399 2.0201 2.0201 2.4551 2.4551 3.0966 3.0966 3.1056 3.1056 6.6443 6.6443 7.6825 7.6825 8.5712 8.5712 9.8136 9.8136 k = 0.2105 0.2105-0.0000 ( 10293 PWs) bands (ev): -48.5785 -48.5785 -42.8997 -42.8997 -41.7266 -41.7266 -41.7091 -41.7091 -41.7084 -41.7084 -41.6889 -41.6889 -20.6588 -20.6588 -20.4870 -20.4870 -20.4744 -20.4744 -7.8143 -7.8143 -7.5360 -7.5360 1.8450 1.8450 1.9599 1.9599 2.0241 2.0241 2.5099 2.5099 3.1344 3.1344 3.1435 3.1435 6.6009 6.6009 7.5945 7.5945 8.6636 8.6636 9.7946 9.7946 k = 0.2018 0.2018-0.0000 ( 10285 PWs) bands (ev): -48.5785 -48.5785 -42.8998 -42.8998 -41.7269 -41.7269 -41.7096 -41.7096 -41.7080 -41.7080 -41.6885 -41.6885 -20.6586 -20.6586 -20.4868 -20.4868 -20.4743 -20.4743 -7.8247 -7.8247 -7.5358 -7.5358 1.8280 1.8280 1.9798 1.9798 2.0296 2.0296 2.5659 2.5659 3.1723 3.1723 3.1815 3.1815 6.5512 6.5512 7.5039 7.5039 8.7609 8.7609 9.7763 9.7763 k = 0.1930 0.1930-0.0000 ( 10281 PWs) bands (ev): -48.5785 -48.5785 -42.8999 -42.8999 -41.7272 -41.7272 -41.7100 -41.7100 -41.7075 -41.7075 -41.6881 -41.6881 -20.6585 -20.6585 -20.4866 -20.4866 -20.4742 -20.4742 -7.8349 -7.8349 -7.5357 -7.5357 1.8114 1.8114 1.9995 1.9995 2.0365 2.0365 2.6231 2.6231 3.2102 3.2102 3.2194 3.2194 6.4960 6.4960 7.4122 7.4122 8.8617 8.8617 9.7590 9.7590 k = 0.1842 0.1842-0.0000 ( 10289 PWs) bands (ev): -48.5786 -48.5786 -42.9001 -42.9001 -41.7275 -41.7275 -41.7104 -41.7104 -41.7071 -41.7071 -41.6877 -41.6877 -20.6583 -20.6583 -20.4864 -20.4864 -20.4741 -20.4741 -7.8449 -7.8449 -7.5357 -7.5357 1.7952 1.7952 2.0189 2.0189 2.0448 2.0448 2.6814 2.6814 3.2479 3.2479 3.2572 3.2572 6.4360 6.4360 7.3204 7.3204 8.9649 8.9649 9.7426 9.7426 k = 0.1754 0.1754-0.0000 ( 10293 PWs) bands (ev): -48.5786 -48.5786 -42.9002 -42.9002 -41.7278 -41.7278 -41.7109 -41.7109 -41.7067 -41.7067 -41.6873 -41.6873 -20.6581 -20.6581 -20.4862 -20.4862 -20.4740 -20.4740 -7.8546 -7.8546 -7.5357 -7.5357 1.7795 1.7795 2.0378 2.0378 2.0544 2.0544 2.7407 2.7407 3.2853 3.2853 3.2948 3.2948 6.3722 6.3722 7.2289 7.2289 9.0699 9.0699 9.7270 9.7270 k = 0.1667 0.1667-0.0000 ( 10295 PWs) bands (ev): -48.5786 -48.5786 -42.9003 -42.9003 -41.7281 -41.7281 -41.7113 -41.7113 -41.7063 -41.7063 -41.6869 -41.6869 -20.6580 -20.6580 -20.4860 -20.4860 -20.4739 -20.4739 -7.8641 -7.8641 -7.5358 -7.5358 1.7643 1.7643 2.0560 2.0560 2.0655 2.0655 2.8010 2.8010 3.3223 3.3223 3.3319 3.3319 6.3052 6.3052 7.1384 7.1384 9.1759 9.1759 9.7123 9.7123 k = 0.1579 0.1579-0.0000 ( 10303 PWs) bands (ev): -48.5787 -48.5787 -42.9004 -42.9004 -41.7284 -41.7284 -41.7117 -41.7117 -41.7059 -41.7059 -41.6866 -41.6866 -20.6578 -20.6578 -20.4858 -20.4858 -20.4738 -20.4738 -7.8732 -7.8732 -7.5359 -7.5359 1.7496 1.7496 2.0723 2.0723 2.0790 2.0790 2.8621 2.8621 3.3587 3.3587 3.3685 3.3685 6.2359 6.2359 7.0492 7.0492 9.2824 9.2824 9.6985 9.6985 k = 0.1491 0.1491-0.0000 ( 10315 PWs) bands (ev): -48.5787 -48.5787 -42.9004 -42.9004 -41.7287 -41.7287 -41.7121 -41.7121 -41.7055 -41.7055 -41.6862 -41.6862 -20.6577 -20.6577 -20.4856 -20.4856 -20.4736 -20.4736 -7.8820 -7.8820 -7.5361 -7.5361 1.7356 1.7356 2.0864 2.0864 2.0951 2.0951 2.9239 2.9239 3.3943 3.3943 3.4043 3.4043 6.1647 6.1647 6.9617 6.9617 9.3889 9.3889 9.6855 9.6855 k = 0.1404 0.1404-0.0000 ( 10309 PWs) bands (ev): -48.5787 -48.5787 -42.9005 -42.9005 -41.7289 -41.7289 -41.7124 -41.7124 -41.7051 -41.7051 -41.6859 -41.6859 -20.6575 -20.6575 -20.4854 -20.4854 -20.4735 -20.4735 -7.8904 -7.8904 -7.5363 -7.5363 1.7221 1.7221 2.0998 2.0998 2.1120 2.1120 2.9863 2.9863 3.4289 3.4289 3.4393 3.4393 6.0924 6.0924 6.8762 6.8762 9.4947 9.4947 9.6733 9.6733 k = 0.1316 0.1316-0.0000 ( 10297 PWs) bands (ev): -48.5788 -48.5788 -42.9006 -42.9006 -41.7292 -41.7292 -41.7128 -41.7128 -41.7048 -41.7048 -41.6856 -41.6856 -20.6574 -20.6574 -20.4853 -20.4853 -20.4734 -20.4734 -7.8985 -7.8985 -7.5365 -7.5365 1.7094 1.7094 2.1136 2.1136 2.1284 2.1284 3.0491 3.0491 3.4626 3.4626 3.4733 3.4733 6.0194 6.0194 6.7932 6.7932 9.5994 9.5994 9.6619 9.6619 k = 0.1228 0.1228-0.0000 ( 10283 PWs) bands (ev): -48.5788 -48.5788 -42.9007 -42.9007 -41.7294 -41.7294 -41.7131 -41.7131 -41.7044 -41.7044 -41.6852 -41.6852 -20.6573 -20.6573 -20.4851 -20.4851 -20.4734 -20.4734 -7.9061 -7.9061 -7.5367 -7.5367 1.6973 1.6973 2.1276 2.1276 2.1443 2.1443 3.1120 3.1120 3.4950 3.4950 3.5060 3.5060 5.9463 5.9463 6.7130 6.7130 9.6511 9.6511 9.7023 9.7023 k = 0.1140 0.1140-0.0000 ( 10283 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7296 -41.7296 -41.7134 -41.7134 -41.7041 -41.7041 -41.6849 -41.6849 -20.6571 -20.6571 -20.4849 -20.4849 -20.4733 -20.4733 -7.9134 -7.9134 -7.5370 -7.5370 1.6859 1.6859 2.1417 2.1417 2.1595 2.1595 3.1750 3.1750 3.5260 3.5260 3.5375 3.5375 5.8735 5.8735 6.6360 6.6360 9.6410 9.6410 9.8027 9.8027 k = 0.1053 0.1053-0.0000 ( 10295 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7298 -41.7298 -41.7137 -41.7137 -41.7038 -41.7038 -41.6847 -41.6847 -20.6570 -20.6570 -20.4848 -20.4848 -20.4732 -20.4732 -7.9201 -7.9201 -7.5372 -7.5372 1.6753 1.6753 2.1558 2.1558 2.1739 2.1739 3.2376 3.2376 3.5555 3.5555 3.5674 3.5674 5.8015 5.8015 6.5627 6.5627 9.6315 9.6315 9.8295 9.8295 k = 0.0965 0.0965-0.0000 ( 10289 PWs) bands (ev): -48.5789 -48.5789 -42.9009 -42.9009 -41.7300 -41.7300 -41.7140 -41.7140 -41.7035 -41.7035 -41.6844 -41.6844 -20.6569 -20.6569 -20.4846 -20.4846 -20.4731 -20.4731 -7.9264 -7.9264 -7.5375 -7.5375 1.6654 1.6654 2.1697 2.1697 2.1874 2.1874 3.2996 3.2996 3.5833 3.5833 3.5956 3.5956 5.7307 5.7307 6.4934 6.4934 9.6226 9.6226 9.8155 9.8155 k = 0.0877 0.0877-0.0000 ( 10273 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7302 -41.7302 -41.7143 -41.7143 -41.7033 -41.7033 -41.6842 -41.6842 -20.6568 -20.6568 -20.4845 -20.4845 -20.4730 -20.4730 -7.9323 -7.9323 -7.5378 -7.5378 1.6563 1.6563 2.1833 2.1833 2.2000 2.2000 3.3604 3.3604 3.6093 3.6093 3.6220 3.6220 5.6616 5.6616 6.4285 6.4285 9.6142 9.6142 9.8023 9.8023 k = 0.0789 0.0789-0.0000 ( 10281 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7304 -41.7304 -41.7145 -41.7145 -41.7030 -41.7030 -41.6840 -41.6840 -20.6567 -20.6567 -20.4844 -20.4844 -20.4730 -20.4730 -7.9376 -7.9376 -7.5380 -7.5380 1.6481 1.6481 2.1962 2.1962 2.2116 2.2116 3.4196 3.4196 3.6333 3.6333 3.6465 3.6465 5.5949 5.5949 6.3685 6.3685 9.6064 9.6064 9.7901 9.7901 k = 0.0702 0.0702-0.0000 ( 10269 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7305 -41.7305 -41.7147 -41.7147 -41.7028 -41.7028 -41.6838 -41.6838 -20.6566 -20.6566 -20.4843 -20.4843 -20.4729 -20.4729 -7.9424 -7.9424 -7.5383 -7.5383 1.6406 1.6406 2.2084 2.2084 2.2222 2.2222 3.4766 3.4766 3.6552 3.6552 3.6688 3.6688 5.5311 5.5311 6.3137 6.3137 9.5991 9.5991 9.7790 9.7790 k = 0.0614 0.0614-0.0000 ( 10275 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7306 -41.7306 -41.7149 -41.7149 -41.7026 -41.7026 -41.6836 -41.6836 -20.6565 -20.6565 -20.4842 -20.4842 -20.4729 -20.4729 -7.9467 -7.9467 -7.5385 -7.5385 1.6340 1.6340 2.2196 2.2196 2.2317 2.2317 3.5307 3.5307 3.6749 3.6749 3.6889 3.6889 5.4710 5.4710 6.2644 6.2644 9.5924 9.5924 9.7690 9.7690 k = 0.0526 0.0526-0.0000 ( 10263 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7307 -41.7307 -41.7151 -41.7151 -41.7025 -41.7025 -41.6834 -41.6834 -20.6565 -20.6565 -20.4841 -20.4841 -20.4728 -20.4728 -7.9504 -7.9504 -7.5387 -7.5387 1.6283 1.6283 2.2296 2.2296 2.2402 2.2402 3.5808 3.5808 3.6922 3.6922 3.7065 3.7065 5.4154 5.4154 6.2211 6.2211 9.5864 9.5864 9.7602 9.7602 k = 0.0439 0.0439-0.0000 ( 10255 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7308 -41.7308 -41.7152 -41.7152 -41.7023 -41.7023 -41.6833 -41.6833 -20.6564 -20.6564 -20.4840 -20.4840 -20.4728 -20.4728 -7.9536 -7.9536 -7.5389 -7.5389 1.6234 1.6234 2.2382 2.2382 2.2475 2.2475 3.6261 3.6261 3.7072 3.7072 3.7217 3.7217 5.3655 5.3655 6.1839 6.1839 9.5812 9.5812 9.7527 9.7527 k = 0.0351 0.0351-0.0000 ( 10267 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7309 -41.7309 -41.7153 -41.7153 -41.7022 -41.7022 -41.6832 -41.6832 -20.6564 -20.6564 -20.4840 -20.4840 -20.4727 -20.4727 -7.9562 -7.9562 -7.5390 -7.5390 1.6194 1.6194 2.2454 2.2454 2.2538 2.2538 3.6653 3.6653 3.7197 3.7197 3.7343 3.7343 5.3223 5.3223 6.1531 6.1531 9.5768 9.5768 9.7464 9.7464 k = 0.0263 0.0263-0.0000 ( 10271 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7310 -41.7310 -41.7154 -41.7154 -41.7021 -41.7021 -41.6831 -41.6831 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9582 -7.9582 -7.5392 -7.5392 1.6162 1.6162 2.2509 2.2509 2.2588 2.2588 3.6971 3.6971 3.7300 3.7300 3.7442 3.7442 5.2870 5.2870 6.1289 6.1289 9.5732 9.5732 9.7415 9.7415 k = 0.0175 0.0175-0.0000 ( 10267 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7310 -41.7310 -41.7155 -41.7155 -41.7020 -41.7020 -41.6831 -41.6831 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9597 -7.9597 -7.5393 -7.5393 1.6140 1.6140 2.2548 2.2548 2.2625 2.2625 3.7197 3.7197 3.7383 3.7383 3.7514 3.7514 5.2607 5.2607 6.1116 6.1116 9.5706 9.5706 9.7379 9.7380 k = 0.0088 0.0088-0.0000 ( 10267 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7311 -41.7311 -41.7155 -41.7155 -41.7020 -41.7020 -41.6830 -41.6830 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9605 -7.9605 -7.5393 -7.5393 1.6127 1.6127 2.2571 2.2571 2.2648 2.2648 3.7316 3.7316 3.7453 3.7453 3.7559 3.7559 5.2445 5.2445 6.1011 6.1011 9.5691 9.5691 9.7357 9.7358 k = 0.0000 0.0000 0.0000 ( 10265 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7311 -41.7311 -41.7155 -41.7155 -41.7020 -41.7020 -41.6830 -41.6830 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9608 -7.9608 -7.5393 -7.5393 1.6122 1.6122 2.2579 2.2579 2.2656 2.2656 3.7348 3.7348 3.7484 3.7484 3.7575 3.7575 5.2390 5.2390 6.0976 6.0976 9.5685 9.5685 9.7350 9.7350 k = 0.0000 0.0000 0.0000 ( 10265 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7311 -41.7311 -41.7155 -41.7155 -41.7020 -41.7020 -41.6830 -41.6830 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9608 -7.9608 -7.5393 -7.5393 1.6122 1.6122 2.2579 2.2579 2.2656 2.2656 3.7348 3.7348 3.7484 3.7484 3.7575 3.7575 5.2390 5.2390 6.0976 6.0976 9.5685 9.5685 9.7350 9.7352 k = 0.0000 0.0000 0.0124 ( 10269 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7311 -41.7311 -41.7155 -41.7155 -41.7020 -41.7020 -41.6830 -41.6830 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9605 -7.9605 -7.5396 -7.5396 1.6130 1.6130 2.2587 2.2587 2.2664 2.2664 3.7329 3.7329 3.7469 3.7469 3.7530 3.7530 5.2446 5.2446 6.0994 6.0994 9.5692 9.5692 9.7345 9.7345 k = 0.0000 0.0000 0.0248 ( 10269 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7310 -41.7310 -41.7155 -41.7155 -41.7019 -41.7019 -41.6831 -41.6831 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9596 -7.9596 -7.5406 -7.5406 1.6154 1.6154 2.2612 2.2612 2.2689 2.2689 3.7259 3.7259 3.7411 3.7411 3.7427 3.7427 5.2609 5.2609 6.1048 6.1048 9.5714 9.5714 9.7329 9.7330 k = 0.0000 0.0000 0.0373 ( 10253 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7310 -41.7310 -41.7156 -41.7156 -41.7019 -41.7019 -41.6831 -41.6831 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9581 -7.9581 -7.5422 -7.5422 1.6194 1.6194 2.2653 2.2653 2.2730 2.2730 3.7079 3.7079 3.7282 3.7282 3.7356 3.7356 5.2873 5.2873 6.1138 6.1138 9.5749 9.5749 9.7304 9.7304 k = 0.0000 0.0000 0.0497 ( 10245 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7309 -41.7309 -41.7157 -41.7157 -41.7018 -41.7018 -41.6832 -41.6832 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9560 -7.9560 -7.5444 -7.5444 1.6250 1.6250 2.2711 2.2711 2.2788 2.2788 3.6776 3.6776 3.7166 3.7166 3.7258 3.7258 5.3229 5.3229 6.1263 6.1263 9.5799 9.5799 9.7269 9.7269 k = 0.0000 0.0000 0.0621 ( 10245 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7308 -41.7308 -41.7158 -41.7158 -41.7016 -41.7016 -41.6834 -41.6834 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9533 -7.9533 -7.5472 -7.5472 1.6322 1.6322 2.2785 2.2785 2.2862 2.2862 3.6393 3.6393 3.7035 3.7035 3.7133 3.7133 5.3664 5.3664 6.1422 6.1422 9.5862 9.5862 9.7226 9.7226 k = 0.0000 0.0000 0.0745 ( 10253 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7307 -41.7307 -41.7159 -41.7159 -41.7015 -41.7015 -41.6835 -41.6835 -20.6563 -20.6563 -20.4839 -20.4839 -20.4727 -20.4727 -7.9500 -7.9500 -7.5507 -7.5507 1.6410 1.6410 2.2875 2.2875 2.2952 2.2952 3.5947 3.5947 3.6881 3.6881 3.6981 3.6981 5.4167 5.4167 6.1614 6.1614 9.5939 9.5939 9.7178 9.7181 k = 0.0000 0.0000 0.0869 ( 10269 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7305 -41.7305 -41.7160 -41.7160 -41.7013 -41.7013 -41.6837 -41.6837 -20.6563 -20.6563 -20.4839 -20.4839 -20.4728 -20.4728 -7.9462 -7.9462 -7.5547 -7.5547 1.6514 1.6514 2.2981 2.2981 2.3058 2.3058 3.5453 3.5453 3.6704 3.6704 3.6804 3.6804 5.4725 5.4725 6.1839 6.1839 9.6029 9.6029 9.7126 9.7126 k = 0.0000 0.0000 0.0994 ( 10277 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7304 -41.7304 -41.7162 -41.7162 -41.7011 -41.7011 -41.6839 -41.6839 -20.6563 -20.6563 -20.4839 -20.4839 -20.4728 -20.4728 -7.9417 -7.9417 -7.5593 -7.5593 1.6635 1.6635 2.3103 2.3103 2.3180 2.3180 3.4921 3.4921 3.6502 3.6502 3.6604 3.6604 5.5329 5.5329 6.2094 6.2094 9.6132 9.6132 9.7072 9.7072 k = 0.0000 0.0000 0.1118 ( 10277 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7302 -41.7302 -41.7164 -41.7164 -41.7009 -41.7009 -41.6841 -41.6841 -20.6563 -20.6563 -20.4839 -20.4839 -20.4728 -20.4728 -7.9368 -7.9368 -7.5645 -7.5645 1.6771 1.6771 2.3241 2.3241 2.3318 2.3318 3.4360 3.4360 3.6279 3.6279 3.6380 3.6380 5.5970 5.5970 6.2378 6.2378 9.6247 9.6247 9.7018 9.7018 k = 0.0000 0.0000 0.1242 ( 10293 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7300 -41.7300 -41.7166 -41.7166 -41.7006 -41.7006 -41.6844 -41.6844 -20.6563 -20.6563 -20.4839 -20.4839 -20.4728 -20.4728 -7.9313 -7.9313 -7.5703 -7.5703 1.6923 1.6923 2.3394 2.3394 2.3471 2.3471 3.3776 3.3776 3.6034 3.6034 3.6135 3.6135 5.6638 5.6638 6.2688 6.2688 9.6374 9.6374 9.6965 9.6965 k = 0.0000 0.0000 0.1366 ( 10297 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7298 -41.7298 -41.7168 -41.7168 -41.7004 -41.7004 -41.6847 -41.6847 -20.6564 -20.6564 -20.4839 -20.4839 -20.4729 -20.4729 -7.9252 -7.9252 -7.5765 -7.5765 1.7092 1.7092 2.3563 2.3563 2.3640 2.3640 3.3177 3.3177 3.5769 3.5769 3.5869 3.5869 5.7328 5.7328 6.3023 6.3023 9.6512 9.6512 9.6915 9.6915 k = 0.0000 0.0000 0.1490 ( 10306 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7296 -41.7296 -41.7171 -41.7171 -41.7001 -41.7001 -41.6850 -41.6850 -20.6564 -20.6564 -20.4839 -20.4839 -20.4729 -20.4729 -7.9187 -7.9187 -7.5833 -7.5833 1.7277 1.7277 2.3746 2.3746 2.3823 2.3823 3.2568 3.2568 3.5486 3.5486 3.5586 3.5586 5.8033 5.8033 6.3378 6.3378 9.6661 9.6661 9.6868 9.6868 k = 0.0000 0.0000 0.1615 ( 10298 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7293 -41.7293 -41.7173 -41.7173 -41.6998 -41.6998 -41.6853 -41.6853 -20.6564 -20.6564 -20.4838 -20.4838 -20.4729 -20.4729 -7.9117 -7.9117 -7.5906 -7.5906 1.7478 1.7478 2.3943 2.3943 2.4021 2.4021 3.1952 3.1952 3.5185 3.5185 3.5285 3.5285 5.8747 5.8747 6.3752 6.3752 9.6819 9.6819 9.6824 9.6824 k = 0.0000 0.0000 0.1739 ( 10294 PWs) bands (ev): -48.5790 -48.5790 -42.9013 -42.9013 -41.7290 -41.7290 -41.7176 -41.7176 -41.6994 -41.6994 -41.6856 -41.6856 -20.6564 -20.6564 -20.4838 -20.4838 -20.4729 -20.4729 -7.9042 -7.9042 -7.5984 -7.5984 1.7695 1.7695 2.4155 2.4155 2.4233 2.4233 3.1332 3.1332 3.4870 3.4870 3.4968 3.4968 5.9466 5.9466 6.4139 6.4139 9.6786 9.6786 9.6812 9.6812 k = 0.0000 0.0000 0.1863 ( 10290 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7287 -41.7287 -41.7179 -41.7179 -41.6991 -41.6991 -41.6860 -41.6860 -20.6564 -20.6564 -20.4838 -20.4838 -20.4730 -20.4730 -7.8962 -7.8962 -7.6066 -7.6066 1.7928 1.7928 2.4381 2.4381 2.4458 2.4458 3.0713 3.0713 3.4540 3.4540 3.4639 3.4639 6.0185 6.0185 6.4536 6.4536 9.6751 9.6751 9.6781 9.6781 k = 0.0000 0.0000 0.1987 ( 10286 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7284 -41.7284 -41.7182 -41.7182 -41.6987 -41.6987 -41.6864 -41.6864 -20.6564 -20.6564 -20.4838 -20.4838 -20.4730 -20.4730 -7.8879 -7.8879 -7.6152 -7.6152 1.8178 1.8178 2.4619 2.4619 2.4697 2.4697 3.0097 3.0097 3.4199 3.4199 3.4297 3.4297 6.0899 6.0899 6.4938 6.4938 9.6722 9.6722 9.6754 9.6754 k = 0.0000 0.0000 0.2111 ( 10290 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7281 -41.7281 -41.7185 -41.7185 -41.6983 -41.6983 -41.6868 -41.6868 -20.6564 -20.6564 -20.4838 -20.4838 -20.4730 -20.4730 -7.8791 -7.8791 -7.6242 -7.6242 1.8444 1.8444 2.4870 2.4870 2.4948 2.4948 2.9485 2.9485 3.3848 3.3848 3.3945 3.3945 6.1603 6.1603 6.5340 6.5340 9.6697 9.6697 9.6731 9.6731 k = 0.0000 0.0000 0.2236 ( 10274 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7278 -41.7278 -41.7188 -41.7188 -41.6978 -41.6978 -41.6872 -41.6872 -20.6564 -20.6564 -20.4838 -20.4838 -20.4731 -20.4731 -7.8700 -7.8700 -7.6336 -7.6336 1.8726 1.8726 2.5133 2.5133 2.5211 2.5211 2.8879 2.8879 3.3489 3.3489 3.3585 3.3585 6.2294 6.2294 6.5737 6.5737 9.6677 9.6677 9.6713 9.6713 k = 0.0000 0.0000 0.2360 ( 10278 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7274 -41.7274 -41.7192 -41.7192 -41.6974 -41.6974 -41.6876 -41.6876 -20.6564 -20.6564 -20.4838 -20.4838 -20.4731 -20.4731 -7.8605 -7.8605 -7.6434 -7.6434 1.9024 1.9024 2.5406 2.5406 2.5484 2.5484 2.8282 2.8282 3.3123 3.3123 3.3219 3.3219 6.2966 6.2966 6.6123 6.6123 9.6661 9.6661 9.6698 9.6698 k = 0.0000 0.0000 0.2484 ( 10286 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7271 -41.7271 -41.7195 -41.7195 -41.6970 -41.6970 -41.6881 -41.6881 -20.6565 -20.6565 -20.4838 -20.4838 -20.4731 -20.4731 -7.8507 -7.8507 -7.6534 -7.6534 1.9338 1.9338 2.5689 2.5689 2.5767 2.5767 2.7693 2.7693 3.2754 3.2754 3.2849 3.2849 6.3614 6.3614 6.6491 6.6491 9.6648 9.6648 9.6687 9.6687 k = 0.0000 0.0000 0.2608 ( 10278 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7268 -41.7268 -41.7198 -41.7198 -41.6965 -41.6965 -41.6885 -41.6885 -20.6565 -20.6565 -20.4838 -20.4838 -20.4731 -20.4731 -7.8406 -7.8406 -7.6637 -7.6637 1.9668 1.9668 2.5980 2.5980 2.6058 2.6058 2.7115 2.7115 3.2383 3.2383 3.2478 3.2478 6.4231 6.4231 6.6836 6.6836 9.6638 9.6638 9.6679 9.6679 k = 0.0000 0.0000 0.2732 ( 10306 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7265 -41.7265 -41.7202 -41.7202 -41.6961 -41.6961 -41.6890 -41.6890 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.8303 -7.8303 -7.6743 -7.6743 2.0014 2.0014 2.6277 2.6277 2.6356 2.6356 2.6549 2.6549 3.2013 3.2013 3.2107 3.2107 6.4810 6.4810 6.7152 6.7152 9.6176 9.6176 9.6633 9.6633 k = 0.0000 0.0000 0.2857 ( 10318 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7261 -41.7261 -41.7206 -41.7206 -41.6956 -41.6956 -41.6895 -41.6895 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.8197 -7.8197 -7.6850 -7.6850 2.0375 2.0375 2.5994 2.5994 2.6578 2.6578 2.6656 2.6656 3.1648 3.1648 3.1742 3.1742 6.5344 6.5344 6.7432 6.7432 9.5517 9.5517 9.6628 9.6628 k = 0.0000 0.0000 0.2981 ( 10322 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7258 -41.7258 -41.7209 -41.7209 -41.6951 -41.6951 -41.6900 -41.6900 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.8089 -7.8089 -7.6960 -7.6960 2.0752 2.0752 2.5454 2.5454 2.6877 2.6877 2.6955 2.6955 3.1293 3.1293 3.1387 3.1387 6.5824 6.5824 6.7672 6.7672 9.4933 9.4933 9.6625 9.6625 k = 0.0000 0.0000 0.3105 ( 10318 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7254 -41.7254 -41.7212 -41.7212 -41.6946 -41.6946 -41.6904 -41.6904 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7979 -7.7979 -7.7070 -7.7070 2.1142 2.1142 2.4929 2.4929 2.7169 2.7169 2.7247 2.7247 3.0954 3.0954 3.1048 3.1048 6.6241 6.6241 6.7868 6.7868 9.4436 9.4436 9.6623 9.6623 k = 0.0000 0.0000 0.3229 ( 10294 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7251 -41.7251 -41.7216 -41.7216 -41.6941 -41.6941 -41.6909 -41.6909 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7869 -7.7869 -7.7182 -7.7182 2.1545 2.1545 2.4421 2.4421 2.7442 2.7442 2.7520 2.7520 3.0644 3.0644 3.0739 3.0739 6.6584 6.6584 6.8017 6.8017 9.4036 9.4036 9.6622 9.6623 k = 0.0000 0.0000 0.3354 ( 10290 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7249 -41.7249 -41.7218 -41.7218 -41.6936 -41.6936 -41.6914 -41.6914 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7758 -7.7758 -7.7294 -7.7294 2.1954 2.1954 2.3936 2.3936 2.7678 2.7678 2.7755 2.7755 3.0382 3.0382 3.0477 3.0477 6.6842 6.6842 6.8119 6.8119 9.3742 9.3742 9.6622 9.6622 k = 0.0000 0.0000 0.3478 ( 10322 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7247 -41.7247 -41.7220 -41.7220 -41.6931 -41.6931 -41.6920 -41.6920 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7649 -7.7649 -7.7403 -7.7403 2.2348 2.2348 2.3497 2.3497 2.7846 2.7846 2.7921 2.7921 3.0199 3.0199 3.0295 3.0295 6.7003 6.7003 6.8177 6.8177 9.3563 9.3563 9.6622 9.6623 k = 0.0000 0.0000 0.3602 ( 10306 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7572 -7.7572 -7.7480 -7.7480 2.2579 2.2579 2.3250 2.3250 2.7908 2.7908 2.7983 2.7983 3.0131 3.0131 3.0227 3.0227 6.7058 6.7058 6.8196 6.8196 9.3503 9.3503 9.6622 9.6622 k = 0.0000 0.0000 0.3602 ( 10306 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7572 -7.7572 -7.7480 -7.7480 2.2579 2.2579 2.3250 2.3250 2.7908 2.7908 2.7983 2.7983 3.0131 3.0131 3.0227 3.0227 6.7058 6.7058 6.8196 6.8196 9.3503 9.3503 9.6622 9.6622 k = 0.0000 0.0125 0.3602 ( 10326 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4838 -20.4838 -20.4733 -20.4733 -7.7570 -7.7570 -7.7479 -7.7479 2.2548 2.2548 2.3191 2.3191 2.7929 2.7929 2.8013 2.8013 3.0137 3.0137 3.0233 3.0233 6.7065 6.7065 6.8219 6.8219 9.3468 9.3468 9.6604 9.6604 k = 0.0000 0.0250 0.3602 ( 10312 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4839 -20.4839 -20.4733 -20.4733 -7.7564 -7.7564 -7.7474 -7.7474 2.2454 2.2454 2.3019 2.3019 2.7963 2.7963 2.8124 2.8124 3.0154 3.0154 3.0252 3.0252 6.7085 6.7085 6.8288 6.8288 9.3366 9.3366 9.6550 9.6550 k = 0.0000 0.0375 0.3602 ( 10302 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7245 -41.7245 -41.7219 -41.7219 -41.6928 -41.6928 -41.6925 -41.6925 -20.6565 -20.6565 -20.4839 -20.4839 -20.4733 -20.4733 -7.7553 -7.7553 -7.7467 -7.7467 2.2300 2.2300 2.2753 2.2753 2.7999 2.7999 2.8310 2.8310 3.0178 3.0178 3.0284 3.0284 6.7118 6.7118 6.8402 6.8402 9.3201 9.3201 9.6464 9.6465 k = 0.0000 0.0500 0.3602 ( 10302 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7244 -41.7244 -41.7219 -41.7219 -41.6929 -41.6929 -41.6926 -41.6926 -20.6566 -20.6566 -20.4839 -20.4839 -20.4733 -20.4733 -7.7538 -7.7538 -7.7457 -7.7457 2.2089 2.2089 2.2411 2.2411 2.8046 2.8046 2.8546 2.8546 3.0208 3.0208 3.0332 3.0332 6.7162 6.7162 6.8558 6.8558 9.2980 9.2980 9.6348 9.6348 k = 0.0000 0.0625 0.3602 ( 10292 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7243 -41.7243 -41.7218 -41.7218 -41.6930 -41.6930 -41.6927 -41.6927 -20.6566 -20.6566 -20.4840 -20.4840 -20.4733 -20.4733 -7.7520 -7.7520 -7.7445 -7.7445 2.1826 2.1826 2.2011 2.2011 2.8105 2.8105 2.8811 2.8811 3.0241 3.0241 3.0393 3.0393 6.7216 6.7216 6.8753 6.8753 9.2710 9.2710 9.6201 9.6201 k = 0.0000 0.0750 0.3602 ( 10300 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7242 -41.7242 -41.7217 -41.7217 -41.6931 -41.6931 -41.6928 -41.6928 -20.6567 -20.6567 -20.4841 -20.4841 -20.4734 -20.4734 -7.7497 -7.7497 -7.7429 -7.7429 2.1515 2.1515 2.1569 2.1569 2.8175 2.8175 2.9093 2.9093 3.0278 3.0278 3.0466 3.0466 6.7280 6.7280 6.8983 6.8983 9.2401 9.2401 9.6017 9.6017 k = 0.0000 0.0875 0.3602 ( 10298 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7240 -41.7240 -41.7215 -41.7215 -41.6933 -41.6933 -41.6930 -41.6930 -20.6568 -20.6568 -20.4842 -20.4842 -20.4734 -20.4734 -7.7471 -7.7471 -7.7412 -7.7412 2.1093 2.1093 2.1163 2.1163 2.8257 2.8257 2.9381 2.9381 3.0319 3.0319 3.0546 3.0546 6.7350 6.7350 6.9244 6.9244 9.2063 9.2063 9.5797 9.5797 k = 0.0000 0.1000 0.3602 ( 10296 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7239 -41.7239 -41.7214 -41.7214 -41.6935 -41.6935 -41.6931 -41.6931 -20.6568 -20.6568 -20.4843 -20.4843 -20.4735 -20.4735 -7.7441 -7.7441 -7.7391 -7.7391 2.0594 2.0594 2.0773 2.0773 2.8351 2.8351 2.9670 2.9670 3.0365 3.0365 3.0633 3.0633 6.7424 6.7424 6.9530 6.9530 9.1704 9.1704 9.5544 9.5544 k = 0.0000 0.1125 0.3602 ( 10300 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7237 -41.7237 -41.7212 -41.7212 -41.6937 -41.6937 -41.6934 -41.6934 -20.6569 -20.6569 -20.4844 -20.4844 -20.4735 -20.4735 -7.7407 -7.7407 -7.7369 -7.7369 2.0077 2.0077 2.0351 2.0351 2.8456 2.8456 2.9954 2.9954 3.0416 3.0416 3.0724 3.0724 6.7501 6.7501 6.9837 6.9837 9.1334 9.1334 9.5259 9.5259 k = 0.0000 0.1250 0.3602 ( 10298 PWs) bands (ev): -48.5789 -48.5789 -42.9009 -42.9009 -41.7234 -41.7234 -41.7210 -41.7210 -41.6939 -41.6939 -41.6936 -41.6936 -20.6570 -20.6570 -20.4845 -20.4845 -20.4736 -20.4736 -7.7370 -7.7370 -7.7344 -7.7344 1.9548 1.9548 1.9902 1.9902 2.8572 2.8572 3.0230 3.0230 3.0472 3.0472 3.0816 3.0816 6.7579 6.7579 7.0158 7.0158 9.0962 9.0962 9.4944 9.4944 k = 0.0000 0.1375 0.3602 ( 10310 PWs) bands (ev): -48.5789 -48.5789 -42.9009 -42.9009 -41.7232 -41.7232 -41.7208 -41.7208 -41.6942 -41.6942 -41.6938 -41.6938 -20.6571 -20.6571 -20.4846 -20.4846 -20.4737 -20.4737 -7.7330 -7.7330 -7.7317 -7.7317 1.9010 1.9010 1.9431 1.9431 2.8699 2.8699 3.0487 3.0487 3.0543 3.0543 3.0911 3.0911 6.7655 6.7655 7.0487 7.0487 9.0594 9.0594 9.4600 9.4600 k = 0.0000 0.1500 0.3602 ( 10298 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7229 -41.7229 -41.7206 -41.7206 -41.6945 -41.6945 -41.6941 -41.6941 -20.6572 -20.6572 -20.4848 -20.4848 -20.4737 -20.4737 -7.7288 -7.7288 -7.7286 -7.7286 1.8468 1.8468 1.8941 1.8941 2.8836 2.8836 3.0590 3.0590 3.0761 3.0761 3.1005 3.1005 6.7726 6.7726 7.0817 7.0817 9.0239 9.0239 9.4229 9.4229 k = 0.0000 0.1625 0.3602 ( 10292 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7226 -41.7226 -41.7203 -41.7203 -41.6948 -41.6948 -41.6944 -41.6944 -20.6573 -20.6573 -20.4849 -20.4849 -20.4738 -20.4738 -7.7257 -7.7257 -7.7242 -7.7242 1.7923 1.7923 1.8438 1.8438 2.8982 2.8982 3.0659 3.0659 3.1004 3.1004 3.1100 3.1100 6.7793 6.7793 7.1142 7.1142 8.9904 8.9904 9.3833 9.3833 k = 0.0000 0.1750 0.3602 ( 10288 PWs) bands (ev): -48.5788 -48.5788 -42.9007 -42.9007 -41.7223 -41.7223 -41.7200 -41.7200 -41.6951 -41.6951 -41.6947 -41.6947 -20.6575 -20.6575 -20.4851 -20.4851 -20.4739 -20.4739 -7.7225 -7.7225 -7.7194 -7.7194 1.7379 1.7379 1.7924 1.7924 2.9136 2.9136 3.0731 3.0731 3.1193 3.1193 3.1237 3.1237 6.7852 6.7852 7.1455 7.1455 8.9597 8.9597 9.3413 9.3413 k = 0.0000 0.1875 0.3602 ( 10286 PWs) bands (ev): -48.5788 -48.5788 -42.9006 -42.9006 -41.7220 -41.7220 -41.7198 -41.7198 -41.6954 -41.6954 -41.6951 -41.6951 -20.6576 -20.6576 -20.4853 -20.4853 -20.4739 -20.4739 -7.7191 -7.7191 -7.7144 -7.7144 1.6839 1.6839 1.7405 1.7405 2.9299 2.9299 3.0806 3.0806 3.1286 3.1286 3.1458 3.1458 6.7902 6.7902 7.1751 7.1751 8.9322 8.9322 9.2973 9.2973 k = 0.0000 0.2000 0.3602 ( 10290 PWs) bands (ev): -48.5787 -48.5787 -42.9005 -42.9005 -41.7217 -41.7217 -41.7195 -41.7195 -41.6958 -41.6958 -41.6954 -41.6954 -20.6577 -20.6577 -20.4855 -20.4855 -20.4740 -20.4740 -7.7156 -7.7156 -7.7092 -7.7092 1.6304 1.6304 1.6882 1.6882 2.9469 2.9469 3.0883 3.0883 3.1378 3.1378 3.1667 3.1667 6.7943 6.7943 7.2024 7.2024 8.9086 8.9086 9.2514 9.2514 k = 0.0000 0.2125 0.3602 ( 10292 PWs) bands (ev): -48.5787 -48.5787 -42.9005 -42.9005 -41.7213 -41.7213 -41.7191 -41.7191 -41.6962 -41.6962 -41.6958 -41.6958 -20.6579 -20.6579 -20.4857 -20.4857 -20.4741 -20.4741 -7.7120 -7.7120 -7.7038 -7.7038 1.5776 1.5776 1.6359 1.6359 2.9645 2.9645 3.0962 3.0962 3.1468 3.1468 3.1863 3.1863 6.7974 6.7974 7.2268 7.2268 8.8895 8.8895 9.2039 9.2039 k = 0.0000 0.2250 0.3602 ( 10304 PWs) bands (ev): -48.5787 -48.5787 -42.9004 -42.9004 -41.7209 -41.7209 -41.7188 -41.7188 -41.6966 -41.6966 -41.6962 -41.6962 -20.6580 -20.6580 -20.4858 -20.4858 -20.4741 -20.4741 -7.7084 -7.7084 -7.6984 -7.6984 1.5259 1.5259 1.5840 1.5840 2.9827 2.9827 3.1044 3.1044 3.1556 3.1556 3.2048 3.2048 6.7995 6.7995 7.2478 7.2478 8.8752 8.8752 9.1551 9.1551 k = 0.0000 0.2375 0.3602 ( 10304 PWs) bands (ev): -48.5787 -48.5787 -42.9003 -42.9003 -41.7205 -41.7205 -41.7184 -41.7184 -41.6970 -41.6970 -41.6966 -41.6966 -20.6581 -20.6581 -20.4860 -20.4860 -20.4742 -20.4742 -7.7047 -7.7047 -7.6929 -7.6929 1.4752 1.4752 1.5326 1.5326 3.0013 3.0013 3.1127 3.1127 3.1643 3.1643 3.2222 3.2222 6.8005 6.8005 7.2653 7.2653 8.8660 8.8660 9.1054 9.1054 k = 0.0000 0.2500 0.3602 ( 10300 PWs) bands (ev): -48.5786 -48.5786 -42.9002 -42.9002 -41.7201 -41.7201 -41.7181 -41.7181 -41.6975 -41.6975 -41.6970 -41.6970 -20.6583 -20.6583 -20.4862 -20.4862 -20.4743 -20.4743 -7.7009 -7.7009 -7.6873 -7.6873 1.4258 1.4258 1.4821 1.4821 3.0203 3.0203 3.1211 3.1211 3.1728 3.1728 3.2384 3.2384 6.8004 6.8004 7.2789 7.2789 8.8621 8.8621 9.0550 9.0550 k = 0.0000 0.2625 0.3602 ( 10304 PWs) bands (ev): -48.5786 -48.5786 -42.9001 -42.9001 -41.7196 -41.7196 -41.7177 -41.7177 -41.6979 -41.6979 -41.6975 -41.6975 -20.6584 -20.6584 -20.4864 -20.4864 -20.4743 -20.4743 -7.6971 -7.6971 -7.6817 -7.6817 1.3779 1.3779 1.4327 1.4327 3.0395 3.0395 3.1295 3.1295 3.1811 3.1811 3.2536 3.2536 6.7995 6.7995 7.2886 7.2886 8.8636 8.8636 9.0042 9.0042 k = 0.0000 0.2750 0.3602 ( 10304 PWs) bands (ev): -48.5786 -48.5786 -42.9001 -42.9001 -41.7192 -41.7192 -41.7173 -41.7173 -41.6984 -41.6984 -41.6979 -41.6979 -20.6586 -20.6586 -20.4867 -20.4867 -20.4744 -20.4744 -7.6934 -7.6934 -7.6761 -7.6761 1.3316 1.3316 1.3846 1.3846 3.0588 3.0588 3.1379 3.1379 3.1892 3.1892 3.2678 3.2678 6.7976 6.7976 7.2945 7.2945 8.8703 8.8703 8.9534 8.9534 k = 0.0000 0.2875 0.3602 ( 10314 PWs) bands (ev): -48.5786 -48.5786 -42.9000 -42.9000 -41.7187 -41.7187 -41.7169 -41.7169 -41.6989 -41.6989 -41.6984 -41.6984 -20.6587 -20.6587 -20.4869 -20.4869 -20.4744 -20.4744 -7.6897 -7.6897 -7.6705 -7.6705 1.2871 1.2871 1.3380 1.3380 3.0782 3.0782 3.1463 3.1463 3.1971 3.1971 3.2809 3.2809 6.7949 6.7949 7.2967 7.2967 8.8820 8.8820 8.9029 8.9029 k = 0.0000 0.3000 0.3602 ( 10310 PWs) bands (ev): -48.5785 -48.5785 -42.8999 -42.8999 -41.7182 -41.7182 -41.7164 -41.7164 -41.6994 -41.6994 -41.6989 -41.6989 -20.6588 -20.6588 -20.4871 -20.4871 -20.4745 -20.4745 -7.6860 -7.6860 -7.6651 -7.6651 1.2444 1.2444 1.2931 1.2931 3.0975 3.0975 3.1546 3.1546 3.2046 3.2046 3.2931 3.2931 6.7915 6.7915 7.2958 7.2958 8.8531 8.8531 8.8984 8.8984 k = 0.0000 0.3125 0.3602 ( 10318 PWs) bands (ev): -48.5785 -48.5785 -42.8998 -42.8998 -41.7177 -41.7177 -41.7160 -41.7160 -41.6999 -41.6999 -41.6994 -41.6994 -20.6590 -20.6590 -20.4872 -20.4872 -20.4745 -20.4745 -7.6825 -7.6825 -7.6598 -7.6598 1.2037 1.2037 1.2501 1.2501 3.1165 3.1165 3.1626 3.1626 3.2120 3.2120 3.3044 3.3044 6.7875 6.7875 7.2919 7.2919 8.8042 8.8042 8.9190 8.9190 k = 0.0000 0.3250 0.3602 ( 10318 PWs) bands (ev): -48.5785 -48.5785 -42.8998 -42.8998 -41.7172 -41.7172 -41.7155 -41.7155 -41.7005 -41.7005 -41.6999 -41.6999 -20.6591 -20.6591 -20.4874 -20.4874 -20.4746 -20.4746 -7.6790 -7.6790 -7.6546 -7.6546 1.1651 1.1651 1.2091 1.2091 3.1352 3.1352 3.1705 3.1705 3.2190 3.2190 3.3148 3.3148 6.7831 6.7831 7.2856 7.2856 8.7567 8.7567 8.9432 8.9432 k = 0.0000 0.3375 0.3602 ( 10312 PWs) bands (ev): -48.5785 -48.5785 -42.8997 -42.8997 -41.7167 -41.7167 -41.7150 -41.7150 -41.7010 -41.7010 -41.7004 -41.7004 -20.6592 -20.6592 -20.4876 -20.4876 -20.4746 -20.4746 -7.6757 -7.6757 -7.6496 -7.6496 1.1287 1.1287 1.1703 1.1703 3.1533 3.1533 3.1781 3.1781 3.2257 3.2257 3.3244 3.3244 6.7783 6.7783 7.2774 7.2774 8.7108 8.7108 8.9705 8.9705 k = 0.0000 0.3500 0.3602 ( 10310 PWs) bands (ev): -48.5784 -48.5784 -42.8996 -42.8996 -41.7161 -41.7161 -41.7146 -41.7146 -41.7016 -41.7016 -41.7010 -41.7010 -20.6594 -20.6594 -20.4878 -20.4878 -20.4747 -20.4747 -7.6725 -7.6725 -7.6448 -7.6448 1.0946 1.0946 1.1339 1.1339 3.1708 3.1708 3.1854 3.1854 3.2320 3.2320 3.3331 3.3331 6.7734 6.7734 7.2678 7.2678 8.6668 8.6668 9.0002 9.0002 k = 0.0000 0.3625 0.3602 ( 10314 PWs) bands (ev): -48.5784 -48.5784 -42.8996 -42.8996 -41.7156 -41.7156 -41.7141 -41.7141 -41.7021 -41.7021 -41.7015 -41.7015 -20.6595 -20.6595 -20.4880 -20.4880 -20.4747 -20.4747 -7.6695 -7.6695 -7.6403 -7.6403 1.0630 1.0630 1.0999 1.0999 3.1875 3.1875 3.1923 3.1923 3.2380 3.2380 3.3411 3.3411 6.7683 6.7683 7.2572 7.2572 8.6251 8.6251 9.0318 9.0318 k = 0.0000 0.3750 0.3602 ( 10302 PWs) bands (ev): -48.5784 -48.5784 -42.8995 -42.8995 -41.7150 -41.7150 -41.7136 -41.7136 -41.7027 -41.7027 -41.7020 -41.7020 -20.6596 -20.6596 -20.4881 -20.4881 -20.4747 -20.4747 -7.6666 -7.6666 -7.6361 -7.6361 1.0338 1.0338 1.0685 1.0685 3.1988 3.1988 3.2033 3.2033 3.2436 3.2436 3.3483 3.3483 6.7632 6.7632 7.2461 7.2461 8.5860 8.5860 9.0646 9.0646 k = 0.0000 0.3875 0.3602 ( 10310 PWs) bands (ev): -48.5784 -48.5784 -42.8995 -42.8995 -41.7144 -41.7144 -41.7131 -41.7131 -41.7033 -41.7033 -41.7026 -41.7026 -20.6597 -20.6597 -20.4883 -20.4883 -20.4748 -20.4748 -7.6640 -7.6640 -7.6322 -7.6322 1.0071 1.0071 1.0398 1.0398 3.2048 3.2048 3.2180 3.2180 3.2488 3.2488 3.3547 3.3547 6.7583 6.7583 7.2349 7.2349 8.5496 8.5496 9.0978 9.0978 k = 0.0000 0.4000 0.3602 ( 10302 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7138 -41.7138 -41.7125 -41.7125 -41.7039 -41.7039 -41.7031 -41.7031 -20.6598 -20.6598 -20.4884 -20.4884 -20.4748 -20.4748 -7.6616 -7.6616 -7.6286 -7.6286 0.9831 0.9831 1.0139 1.0139 3.2104 3.2104 3.2315 3.2315 3.2536 3.2536 3.3604 3.3604 6.7537 6.7537 7.2239 7.2239 8.5164 8.5164 9.1308 9.1308 k = 0.0000 0.4125 0.3602 ( 10298 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7132 -41.7132 -41.7120 -41.7120 -41.7045 -41.7045 -41.7037 -41.7037 -20.6599 -20.6599 -20.4885 -20.4885 -20.4748 -20.4748 -7.6595 -7.6595 -7.6254 -7.6254 0.9618 0.9618 0.9908 0.9908 3.2153 3.2153 3.2435 3.2435 3.2581 3.2581 3.3654 3.3654 6.7493 6.7493 7.2135 7.2135 8.4865 8.4865 9.1628 9.1628 k = 0.0000 0.4250 0.3602 ( 10294 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7126 -41.7126 -41.7115 -41.7115 -41.7051 -41.7051 -41.7042 -41.7042 -20.6599 -20.6599 -20.4886 -20.4886 -20.4749 -20.4749 -7.6576 -7.6576 -7.6225 -7.6225 0.9432 0.9432 0.9707 0.9707 3.2197 3.2197 3.2536 3.2536 3.2627 3.2627 3.3697 3.3697 6.7454 6.7454 7.2040 7.2040 8.4601 8.4601 9.1931 9.1931 k = 0.0000 0.4375 0.3602 ( 10292 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7120 -41.7120 -41.7110 -41.7110 -41.7057 -41.7057 -41.7048 -41.7048 -20.6600 -20.6600 -20.4887 -20.4887 -20.4749 -20.4749 -7.6560 -7.6560 -7.6201 -7.6201 0.9274 0.9274 0.9535 0.9535 3.2235 3.2235 3.2607 3.2607 3.2682 3.2682 3.3733 3.3733 6.7419 6.7419 7.1955 7.1955 8.4374 8.4374 9.2208 9.2208 k = 0.0000 0.4500 0.3602 ( 10296 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7114 -41.7114 -41.7104 -41.7104 -41.7063 -41.7063 -41.7053 -41.7053 -20.6600 -20.6600 -20.4888 -20.4888 -20.4749 -20.4749 -7.6546 -7.6546 -7.6181 -7.6181 0.9144 0.9144 0.9394 0.9394 3.2266 3.2266 3.2648 3.2648 3.2745 3.2745 3.3762 3.3762 6.7390 6.7390 7.1884 7.1884 8.4186 8.4186 9.2451 9.2451 k = 0.0000 0.4625 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7108 -41.7108 -41.7099 -41.7099 -41.7069 -41.7069 -41.7058 -41.7058 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6536 -7.6536 -7.6165 -7.6165 0.9043 0.9043 0.9284 0.9284 3.2291 3.2291 3.2673 3.2673 3.2802 3.2802 3.3785 3.3785 6.7366 6.7366 7.1826 7.1826 8.4038 8.4038 9.2652 9.2652 k = 0.0000 0.4750 0.3602 ( 10308 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7103 -41.7103 -41.7095 -41.7095 -41.7075 -41.7075 -41.7063 -41.7063 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6528 -7.6528 -7.6154 -7.6154 0.8970 0.8970 0.9205 0.9205 3.2308 3.2308 3.2690 3.2690 3.2845 3.2845 3.3802 3.3802 6.7350 6.7350 7.1784 7.1784 8.3932 8.3932 9.2802 9.2802 k = 0.0000 0.4875 0.3602 ( 10312 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7097 -41.7097 -41.7091 -41.7091 -41.7081 -41.7081 -41.7067 -41.7067 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6523 -7.6523 -7.6147 -7.6147 0.8927 0.8927 0.9157 0.9157 3.2319 3.2319 3.2700 3.2700 3.2871 3.2871 3.3811 3.3811 6.7339 6.7339 7.1759 7.1759 8.3868 8.3868 9.2895 9.2895 k = 0.0000 0.5000 0.3602 ( 10316 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7068 -41.7068 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6522 -7.6522 -7.6145 -7.6145 0.8912 0.8912 0.9142 0.9142 3.2322 3.2322 3.2703 3.2703 3.2879 3.2879 3.3815 3.3815 6.7336 6.7336 7.1750 7.1750 8.3847 8.3847 9.2927 9.2927 k = 0.0000 0.5000 0.3602 ( 10316 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7068 -41.7068 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6522 -7.6522 -7.6145 -7.6145 0.8912 0.8912 0.9142 0.9142 3.2322 3.2322 3.2703 3.2703 3.2879 3.2879 3.3815 3.3815 6.7336 6.7336 7.1750 7.1750 8.3847 8.3847 9.2927 9.2927 k = 0.0125 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7083 -41.7083 -41.7068 -41.7068 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6520 -7.6520 -7.6144 -7.6144 0.8918 0.8918 0.9150 0.9150 3.2299 3.2299 3.2692 3.2692 3.2844 3.2844 3.3799 3.3799 6.7384 6.7384 7.1763 7.1763 8.3843 8.3843 9.2962 9.2962 k = 0.0250 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7068 -41.7068 -20.6602 -20.6602 -20.4889 -20.4889 -20.4749 -20.4749 -7.6515 -7.6515 -7.6141 -7.6141 0.8938 0.8938 0.9175 0.9175 3.2229 3.2229 3.2654 3.2654 3.2743 3.2743 3.3754 3.3754 6.7527 6.7527 7.1799 7.1799 8.3831 8.3831 9.3069 9.3069 k = 0.0375 0.5000 0.3602 ( 10308 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7068 -41.7068 -20.6602 -20.6602 -20.4890 -20.4890 -20.4750 -20.4750 -7.6507 -7.6507 -7.6136 -7.6136 0.8970 0.8970 0.9218 0.9218 3.2113 3.2113 3.2526 3.2526 3.2641 3.2641 3.3678 3.3678 6.7763 6.7763 7.1858 7.1858 8.3813 8.3813 9.3246 9.3246 k = 0.0500 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7069 -41.7069 -20.6602 -20.6602 -20.4890 -20.4890 -20.4750 -20.4750 -7.6496 -7.6496 -7.6130 -7.6130 0.9015 0.9015 0.9277 0.9277 3.1953 3.1953 3.2284 3.2284 3.2567 3.2567 3.3573 3.3573 6.8087 6.8087 7.1939 7.1939 8.3787 8.3787 9.3494 9.3494 k = 0.0625 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7069 -41.7069 -20.6602 -20.6602 -20.4890 -20.4890 -20.4751 -20.4751 -7.6481 -7.6481 -7.6122 -7.6122 0.9073 0.9073 0.9353 0.9353 3.1752 3.1752 3.1972 3.1972 3.2482 3.2482 3.3438 3.3438 6.8495 6.8495 7.2040 7.2040 8.3755 8.3755 9.3810 9.3810 k = 0.0750 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7069 -41.7069 -20.6603 -20.6603 -20.4890 -20.4890 -20.4751 -20.4751 -7.6464 -7.6464 -7.6113 -7.6113 0.9143 0.9143 0.9445 0.9445 3.1511 3.1511 3.1603 3.1603 3.2379 3.2379 3.3275 3.3275 6.8979 6.8979 7.2158 7.2158 8.3717 8.3717 9.4194 9.4194 k = 0.0875 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7069 -41.7069 -20.6603 -20.6603 -20.4891 -20.4891 -20.4752 -20.4752 -7.6443 -7.6443 -7.6101 -7.6101 0.9227 0.9227 0.9554 0.9554 3.1182 3.1182 3.1233 3.1233 3.2258 3.2258 3.3085 3.3085 6.9533 6.9533 7.2293 7.2293 8.3674 8.3674 9.4644 9.4644 k = 0.1000 0.5000 0.3602 ( 10292 PWs) bands (ev): -48.5782 -48.5782 -42.8990 -42.8990 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7070 -41.7070 -20.6604 -20.6604 -20.4891 -20.4891 -20.4753 -20.4753 -7.6420 -7.6420 -7.6089 -7.6089 0.9323 0.9323 0.9680 0.9680 3.0716 3.0716 3.0922 3.0922 3.2120 3.2120 3.2867 3.2867 7.0150 7.0150 7.2440 7.2440 8.3626 8.3626 9.5158 9.5158 k = 0.1125 0.5000 0.3602 ( 10292 PWs) bands (ev): -48.5782 -48.5782 -42.8990 -42.8990 -41.7094 -41.7094 -41.7089 -41.7089 -41.7084 -41.7084 -41.7070 -41.7070 -20.6604 -20.6604 -20.4892 -20.4892 -20.4753 -20.4753 -7.6394 -7.6394 -7.6074 -7.6074 0.9432 0.9432 0.9822 0.9822 3.0213 3.0213 3.0582 3.0582 3.1964 3.1964 3.2624 3.2624 7.0821 7.0821 7.2598 7.2598 8.3575 8.3575 9.5732 9.5732 k = 0.1250 0.5000 0.3602 ( 10292 PWs) bands (ev): -48.5782 -48.5782 -42.8989 -42.8989 -41.7094 -41.7094 -41.7089 -41.7089 -41.7085 -41.7085 -41.7071 -41.7071 -20.6605 -20.6605 -20.4892 -20.4892 -20.4754 -20.4754 -7.6366 -7.6366 -7.6059 -7.6059 0.9553 0.9553 0.9979 0.9979 2.9679 2.9679 3.0217 3.0217 3.1790 3.1790 3.2356 3.2356 7.1541 7.1541 7.2764 7.2764 8.3522 8.3522 9.5462 9.5462 k = 0.1375 0.5000 0.3602 ( 10296 PWs) bands (ev): -48.5782 -48.5782 -42.8989 -42.8989 -41.7094 -41.7094 -41.7089 -41.7089 -41.7085 -41.7085 -41.7071 -41.7071 -20.6606 -20.6606 -20.4893 -20.4893 -20.4755 -20.4755 -7.6335 -7.6335 -7.6042 -7.6042 0.9687 0.9687 1.0153 1.0153 2.9120 2.9120 2.9828 2.9828 3.1599 3.1599 3.2064 3.2064 7.2301 7.2301 7.2936 7.2936 8.3466 8.3466 9.4863 9.4863 k = 0.1500 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5782 -48.5782 -42.8988 -42.8988 -41.7094 -41.7094 -41.7089 -41.7089 -41.7085 -41.7085 -41.7072 -41.7072 -20.6606 -20.6606 -20.4893 -20.4893 -20.4756 -20.4756 -7.6301 -7.6301 -7.6023 -7.6023 0.9834 0.9834 1.0343 1.0343 2.8542 2.8542 2.9422 2.9422 3.1391 3.1391 3.1750 3.1750 7.3092 7.3092 7.3115 7.3115 8.3409 8.3409 9.4275 9.4275 k = 0.1625 0.5000 0.3602 ( 10292 PWs) bands (ev): -48.5782 -48.5782 -42.8987 -42.8987 -41.7094 -41.7094 -41.7089 -41.7089 -41.7085 -41.7085 -41.7072 -41.7072 -20.6607 -20.6607 -20.4894 -20.4894 -20.4758 -20.4758 -7.6266 -7.6266 -7.6004 -7.6004 0.9993 0.9993 1.0548 1.0548 2.7949 2.7949 2.9000 2.9000 3.1166 3.1166 3.1415 3.1415 7.3291 7.3291 7.3916 7.3916 8.3351 8.3351 9.3700 9.3700 k = 0.1750 0.5000 0.3602 ( 10300 PWs) bands (ev): -48.5781 -48.5781 -42.8987 -42.8987 -41.7093 -41.7093 -41.7089 -41.7089 -41.7086 -41.7086 -41.7073 -41.7073 -20.6608 -20.6608 -20.4895 -20.4895 -20.4759 -20.4759 -7.6229 -7.6229 -7.5984 -7.5984 1.0165 1.0165 1.0768 1.0768 2.7348 2.7348 2.8568 2.8568 3.0924 3.0924 3.1061 3.1061 7.3470 7.3470 7.4758 7.4758 8.3293 8.3293 9.3139 9.3139 k = 0.1875 0.5000 0.3602 ( 10296 PWs) bands (ev): -48.5781 -48.5781 -42.8986 -42.8986 -41.7093 -41.7093 -41.7089 -41.7089 -41.7086 -41.7086 -41.7074 -41.7074 -20.6609 -20.6609 -20.4895 -20.4895 -20.4760 -20.4760 -7.6191 -7.6191 -7.5963 -7.5963 1.0349 1.0349 1.1003 1.1003 2.6742 2.6742 2.8127 2.8127 3.0666 3.0666 3.0688 3.0688 7.3649 7.3649 7.5617 7.5617 8.3236 8.3236 9.2593 9.2593 k = 0.2000 0.5000 0.3602 ( 10308 PWs) bands (ev): -48.5781 -48.5781 -42.8985 -42.8985 -41.7093 -41.7093 -41.7088 -41.7088 -41.7086 -41.7086 -41.7074 -41.7074 -20.6610 -20.6610 -20.4896 -20.4896 -20.4761 -20.4761 -7.6151 -7.6151 -7.5941 -7.5941 1.0545 1.0545 1.1253 1.1253 2.6136 2.6136 2.7681 2.7681 3.0298 3.0298 3.0393 3.0393 7.3827 7.3827 7.6486 7.6486 8.3180 8.3180 9.2063 9.2063 k = 0.2125 0.5000 0.3602 ( 10308 PWs) bands (ev): -48.5781 -48.5781 -42.8985 -42.8985 -41.7093 -41.7093 -41.7088 -41.7088 -41.7086 -41.7086 -41.7075 -41.7075 -20.6611 -20.6611 -20.4897 -20.4897 -20.4762 -20.4762 -7.6109 -7.6109 -7.5918 -7.5918 1.0753 1.0753 1.1518 1.1518 2.5533 2.5533 2.7234 2.7234 2.9893 2.9893 3.0104 3.0104 7.4002 7.4002 7.7361 7.7361 8.3125 8.3125 9.1551 9.1551 k = 0.2250 0.5000 0.3602 ( 10308 PWs) bands (ev): -48.5780 -48.5780 -42.8984 -42.8984 -41.7093 -41.7093 -41.7088 -41.7088 -41.7087 -41.7087 -41.7076 -41.7076 -20.6612 -20.6612 -20.4898 -20.4898 -20.4763 -20.4763 -7.6067 -7.6067 -7.5895 -7.5895 1.0973 1.0973 1.1796 1.1796 2.4938 2.4938 2.6788 2.6788 2.9474 2.9474 2.9800 2.9800 7.4173 7.4173 7.8237 7.8237 8.3072 8.3072 9.1056 9.1056 k = 0.2375 0.5000 0.3602 ( 10300 PWs) bands (ev): -48.5780 -48.5780 -42.8983 -42.8983 -41.7093 -41.7093 -41.7088 -41.7088 -41.7087 -41.7087 -41.7076 -41.7076 -20.6613 -20.6613 -20.4899 -20.4899 -20.4765 -20.4765 -7.6025 -7.6025 -7.5872 -7.5872 1.1206 1.1206 1.2088 1.2088 2.4351 2.4351 2.6345 2.6345 2.9042 2.9042 2.9481 2.9481 7.4341 7.4341 7.9112 7.9112 8.3021 8.3021 9.0580 9.0580 k = 0.2500 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5780 -48.5780 -42.8982 -42.8982 -41.7093 -41.7093 -41.7088 -41.7088 -41.7087 -41.7087 -41.7077 -41.7077 -20.6613 -20.6613 -20.4900 -20.4900 -20.4766 -20.4766 -7.5982 -7.5982 -7.5848 -7.5848 1.1450 1.1450 1.2393 1.2393 2.3778 2.3778 2.5909 2.5909 2.8599 2.8599 2.9149 2.9149 7.4504 7.4504 7.9981 7.9981 8.2972 8.2972 9.0124 9.0124 k = 0.2625 0.5000 0.3602 ( 10312 PWs) bands (ev): -48.5780 -48.5780 -42.8982 -42.8982 -41.7093 -41.7093 -41.7088 -41.7088 -41.7088 -41.7088 -41.7078 -41.7078 -20.6614 -20.6614 -20.4901 -20.4901 -20.4767 -20.4767 -7.5939 -7.5939 -7.5825 -7.5825 1.1705 1.1705 1.2711 1.2711 2.3219 2.3219 2.5481 2.5481 2.8146 2.8146 2.8804 2.8804 7.4662 7.4662 8.0840 8.0840 8.2926 8.2926 8.9687 8.9687 k = 0.2750 0.5000 0.3602 ( 10316 PWs) bands (ev): -48.5779 -48.5779 -42.8981 -42.8981 -41.7093 -41.7093 -41.7088 -41.7088 -41.7088 -41.7088 -41.7078 -41.7078 -20.6615 -20.6615 -20.4902 -20.4902 -20.4768 -20.4768 -7.5895 -7.5895 -7.5802 -7.5802 1.1972 1.1972 1.3042 1.3042 2.2678 2.2678 2.5064 2.5064 2.7684 2.7684 2.8445 2.8445 7.4815 7.4815 8.1688 8.1688 8.2882 8.2882 8.9270 8.9270 k = 0.2875 0.5000 0.3602 ( 10316 PWs) bands (ev): -48.5779 -48.5779 -42.8980 -42.8980 -41.7092 -41.7092 -41.7088 -41.7088 -41.7087 -41.7087 -41.7079 -41.7079 -20.6616 -20.6616 -20.4903 -20.4903 -20.4769 -20.4769 -7.5853 -7.5853 -7.5778 -7.5778 1.2250 1.2250 1.3385 1.3385 2.2156 2.2156 2.4659 2.4659 2.7215 2.7215 2.8075 2.8075 7.4962 7.4962 8.2521 8.2521 8.2840 8.2840 8.8875 8.8875 k = 0.3000 0.5000 0.3602 ( 10320 PWs) bands (ev): -48.5779 -48.5779 -42.8979 -42.8979 -41.7092 -41.7092 -41.7088 -41.7088 -41.7087 -41.7087 -41.7080 -41.7080 -20.6617 -20.6617 -20.4904 -20.4904 -20.4770 -20.4770 -7.5811 -7.5811 -7.5756 -7.5756 1.2539 1.2539 1.3739 1.3739 2.1655 2.1655 2.4269 2.4269 2.6741 2.6741 2.7693 2.7693 7.5103 7.5103 8.2802 8.2802 8.3337 8.3337 8.8500 8.8500 k = 0.3125 0.5000 0.3602 ( 10320 PWs) bands (ev): -48.5779 -48.5779 -42.8979 -42.8979 -41.7092 -41.7092 -41.7089 -41.7089 -41.7087 -41.7087 -41.7080 -41.7080 -20.6618 -20.6618 -20.4905 -20.4905 -20.4771 -20.4771 -7.5770 -7.5770 -7.5733 -7.5733 1.2839 1.2839 1.4105 1.4105 2.1177 2.1177 2.3895 2.3895 2.6261 2.6261 2.7300 2.7300 7.5238 7.5238 8.2766 8.2766 8.4134 8.4134 8.8148 8.8148 k = 0.3250 0.5000 0.3602 ( 10324 PWs) bands (ev): -48.5778 -48.5778 -42.8978 -42.8978 -41.7092 -41.7092 -41.7089 -41.7089 -41.7087 -41.7087 -41.7081 -41.7081 -20.6619 -20.6619 -20.4906 -20.4906 -20.4772 -20.4772 -7.5730 -7.5730 -7.5712 -7.5712 1.3149 1.3149 1.4481 1.4481 2.0724 2.0724 2.3538 2.3538 2.5779 2.5779 2.6897 2.6897 7.5366 7.5366 8.2732 8.2732 8.4909 8.4909 8.7817 8.7817 k = 0.3375 0.5000 0.3602 ( 10304 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7092 -41.7092 -41.7089 -41.7089 -41.7087 -41.7087 -41.7081 -41.7081 -20.6620 -20.6620 -20.4907 -20.4907 -20.4773 -20.4773 -7.5693 -7.5693 -7.5690 -7.5690 1.3469 1.3469 1.4867 1.4867 2.0296 2.0296 2.3201 2.3201 2.5294 2.5294 2.6485 2.6485 7.5487 7.5487 8.2702 8.2702 8.5660 8.5660 8.7509 8.7509 k = 0.3500 0.5000 0.3602 ( 10316 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7092 -41.7092 -41.7090 -41.7090 -41.7087 -41.7087 -41.7082 -41.7082 -20.6621 -20.6621 -20.4908 -20.4908 -20.4774 -20.4774 -7.5671 -7.5671 -7.5655 -7.5655 1.3798 1.3798 1.5263 1.5263 1.9896 1.9896 2.2884 2.2884 2.4809 2.4809 2.6064 2.6064 7.5600 7.5600 8.2674 8.2674 8.6385 8.6385 8.7223 8.7223 k = 0.3625 0.5000 0.3602 ( 10328 PWs) bands (ev): -48.5778 -48.5778 -42.8976 -42.8976 -41.7092 -41.7092 -41.7090 -41.7090 -41.7087 -41.7087 -41.7083 -41.7083 -20.6622 -20.6622 -20.4909 -20.4909 -20.4775 -20.4775 -7.5653 -7.5653 -7.5621 -7.5621 1.4137 1.4137 1.5668 1.5668 1.9523 1.9523 2.2588 2.2588 2.4325 2.4325 2.5635 2.5635 7.5706 7.5706 8.2648 8.2648 8.6954 8.6954 8.7086 8.7086 k = 0.3750 0.5000 0.3602 ( 10332 PWs) bands (ev): -48.5777 -48.5777 -42.8975 -42.8975 -41.7092 -41.7092 -41.7090 -41.7090 -41.7086 -41.7086 -41.7083 -41.7083 -20.6622 -20.6622 -20.4909 -20.4909 -20.4775 -20.4775 -7.5635 -7.5635 -7.5588 -7.5588 1.4483 1.4483 1.6081 1.6081 1.9180 1.9180 2.2315 2.2315 2.3843 2.3843 2.5199 2.5199 7.5804 7.5804 8.2625 8.2625 8.6716 8.6716 8.7746 8.7746 k = 0.3875 0.5000 0.3602 ( 10336 PWs) bands (ev): -48.5777 -48.5777 -42.8975 -42.8975 -41.7092 -41.7092 -41.7090 -41.7090 -41.7086 -41.7086 -41.7084 -41.7084 -20.6623 -20.6623 -20.4910 -20.4910 -20.4776 -20.4776 -7.5619 -7.5619 -7.5558 -7.5558 1.4836 1.4836 1.6502 1.6502 1.8867 1.8867 2.2064 2.2064 2.3365 2.3365 2.4757 2.4757 7.5894 7.5894 8.2605 8.2605 8.6498 8.6498 8.8375 8.8375 k = 0.4000 0.5000 0.3602 ( 10336 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7091 -41.7091 -41.7090 -41.7090 -41.7086 -41.7086 -41.7084 -41.7084 -20.6624 -20.6624 -20.4911 -20.4911 -20.4776 -20.4776 -7.5604 -7.5604 -7.5531 -7.5531 1.5195 1.5195 1.6930 1.6930 1.8584 1.8584 2.1839 2.1839 2.2892 2.2892 2.4310 2.4310 7.5975 7.5975 8.2587 8.2587 8.6303 8.6303 8.8965 8.8965 k = 0.4125 0.5000 0.3602 ( 10340 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7085 -41.7085 -20.6624 -20.6624 -20.4912 -20.4912 -20.4777 -20.4777 -7.5591 -7.5591 -7.5506 -7.5506 1.5557 1.5557 1.7364 1.7364 1.8334 1.8334 2.1637 2.1637 2.2429 2.2429 2.3858 2.3858 7.6047 7.6047 8.2571 8.2571 8.6130 8.6130 8.9510 8.9510 k = 0.4250 0.5000 0.3602 ( 10340 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7085 -41.7085 -20.6625 -20.6625 -20.4912 -20.4912 -20.4777 -20.4777 -7.5579 -7.5579 -7.5484 -7.5484 1.5921 1.5921 1.7802 1.7802 1.8116 1.8116 2.1462 2.1462 2.1977 2.1977 2.3404 2.3404 7.6111 7.6111 8.2557 8.2557 8.5980 8.5980 9.0006 9.0006 k = 0.4375 0.5000 0.3602 ( 10332 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7085 -41.7085 -20.6625 -20.6625 -20.4913 -20.4913 -20.4778 -20.4778 -7.5569 -7.5569 -7.5465 -7.5465 1.6280 1.6280 1.7928 1.7928 1.8248 1.8248 2.1311 2.1311 2.1544 2.1544 2.2947 2.2947 7.6165 7.6165 8.2546 8.2546 8.5854 8.5854 9.0445 9.0445 k = 0.4500 0.5000 0.3602 ( 10328 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7085 -41.7085 -20.6626 -20.6626 -20.4913 -20.4913 -20.4778 -20.4778 -7.5560 -7.5560 -7.5450 -7.5450 1.6628 1.6628 1.7776 1.7776 1.8693 1.8693 2.1119 2.1119 2.1201 2.1201 2.2490 2.2490 7.6209 7.6209 8.2537 8.2537 8.5750 8.5750 9.0820 9.0820 k = 0.4625 0.5000 0.3602 ( 10328 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4913 -20.4913 -20.4778 -20.4778 -7.5554 -7.5554 -7.5438 -7.5438 1.6952 1.6952 1.7658 1.7658 1.9137 1.9137 2.0754 2.0754 2.1097 2.1097 2.2037 2.2037 7.6244 7.6244 8.2530 8.2530 8.5669 8.5669 9.1123 9.1123 k = 0.4750 0.5000 0.3602 ( 10336 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5549 -7.5549 -7.5429 -7.5429 1.7230 1.7230 1.7574 1.7574 1.9573 1.9573 2.0441 2.0441 2.1028 2.1028 2.1595 2.1595 7.6269 7.6269 8.2524 8.2524 8.5612 8.5612 9.1346 9.1346 k = 0.4875 0.5000 0.3602 ( 10336 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5546 -7.5546 -7.5424 -7.5424 1.7422 1.7422 1.7528 1.7528 1.9973 1.9973 2.0223 2.0223 2.0985 2.0985 2.1192 2.1192 7.6284 7.6284 8.2521 8.2521 8.5577 8.5577 9.1483 9.1483 k = 0.5000 0.5000 0.3602 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5545 -7.5545 -7.5422 -7.5422 1.7474 1.7474 1.7532 1.7532 2.0141 2.0141 2.0191 2.0191 2.0955 2.0955 2.0990 2.0990 7.6289 7.6289 8.2520 8.2520 8.5566 8.5566 9.1529 9.1529 k = 0.5000 0.5000 0.3602 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5545 -7.5545 -7.5422 -7.5422 1.7474 1.7474 1.7532 1.7532 2.0141 2.0141 2.0191 2.0191 2.0955 2.0955 2.0990 2.0990 7.6289 7.6289 8.2520 8.2520 8.5566 8.5566 9.1529 9.1529 k = 0.4912 0.4912 0.3602 ( 10332 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5546 -7.5546 -7.5424 -7.5424 1.7431 1.7431 1.7520 1.7520 1.9977 1.9977 2.0222 2.0222 2.0977 2.0977 2.1196 2.1196 7.6284 7.6284 8.2521 8.2521 8.5577 8.5577 9.1484 9.1484 k = 0.4825 0.4825 0.3602 ( 10332 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7092 -41.7092 -41.7091 -41.7091 -41.7086 -41.7086 -41.7085 -41.7085 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5549 -7.5549 -7.5429 -7.5429 1.7270 1.7270 1.7532 1.7532 1.9590 1.9590 2.0440 2.0440 2.0995 2.0995 2.1610 2.1610 7.6269 7.6269 8.2524 8.2524 8.5611 8.5611 9.1350 9.1350 k = 0.4737 0.4737 0.3602 ( 10326 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7092 -41.7092 -41.7090 -41.7090 -41.7087 -41.7087 -41.7085 -41.7085 -20.6626 -20.6626 -20.4913 -20.4913 -20.4778 -20.4778 -7.5554 -7.5554 -7.5438 -7.5438 1.7038 1.7038 1.7564 1.7564 1.9175 1.9175 2.0758 2.0758 2.1025 2.1025 2.2070 2.2070 7.6245 7.6245 8.2528 8.2528 8.5668 8.5668 9.1134 9.1134 k = 0.4649 0.4649 0.3602 ( 10322 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7093 -41.7093 -41.7089 -41.7089 -41.7087 -41.7087 -41.7084 -41.7084 -20.6626 -20.6626 -20.4913 -20.4913 -20.4778 -20.4778 -7.5560 -7.5560 -7.5450 -7.5450 1.6770 1.6770 1.7610 1.7610 1.8762 1.8762 2.1053 2.1053 2.1156 2.1156 2.2547 2.2547 7.6211 7.6211 8.2532 8.2532 8.5748 8.5748 9.0845 9.0845 k = 0.4561 0.4561 0.3602 ( 10336 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7094 -41.7094 -41.7088 -41.7088 -41.7088 -41.7088 -41.7083 -41.7083 -20.6625 -20.6625 -20.4913 -20.4913 -20.4778 -20.4778 -7.5569 -7.5569 -7.5465 -7.5465 1.6489 1.6489 1.7669 1.7669 1.8358 1.8358 2.1110 2.1110 2.1583 2.1583 2.3034 2.3034 7.6168 7.6168 8.2534 8.2534 8.5851 8.5851 9.0495 9.0495 k = 0.4474 0.4474 0.3602 ( 10328 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7095 -41.7095 -41.7089 -41.7089 -41.7087 -41.7087 -41.7081 -41.7081 -20.6625 -20.6625 -20.4912 -20.4912 -20.4777 -20.4777 -7.5579 -7.5579 -7.5484 -7.5484 1.6207 1.6207 1.7740 1.7740 1.7967 1.7967 2.1172 2.1172 2.2049 2.2049 2.3525 2.3525 7.6116 7.6116 8.2533 8.2533 8.5978 8.5978 9.0096 9.0096 k = 0.4386 0.4386 0.3602 ( 10322 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7097 -41.7097 -41.7091 -41.7091 -41.7085 -41.7085 -41.7080 -41.7080 -20.6624 -20.6624 -20.4911 -20.4911 -20.4777 -20.4777 -7.5592 -7.5592 -7.5506 -7.5506 1.5932 1.5932 1.7586 1.7586 1.7829 1.7829 2.1244 2.1244 2.2540 2.2540 2.4018 2.4018 7.6057 7.6057 8.2525 8.2525 8.6128 8.6128 8.9661 8.9661 k = 0.4298 0.4298 0.3602 ( 10330 PWs) bands (ev): -48.5777 -48.5777 -42.8974 -42.8974 -41.7099 -41.7099 -41.7092 -41.7092 -41.7083 -41.7083 -41.7078 -41.7078 -20.6624 -20.6624 -20.4911 -20.4911 -20.4776 -20.4776 -7.5606 -7.5606 -7.5531 -7.5531 1.5668 1.5668 1.7227 1.7227 1.7926 1.7926 2.1327 2.1327 2.3051 2.3051 2.4512 2.4512 7.5990 7.5990 8.2505 8.2505 8.6301 8.6301 8.9202 8.9202 k = 0.4211 0.4211 0.3602 ( 10330 PWs) bands (ev): -48.5777 -48.5777 -42.8975 -42.8975 -41.7101 -41.7101 -41.7094 -41.7094 -41.7081 -41.7081 -41.7076 -41.7076 -20.6623 -20.6623 -20.4910 -20.4910 -20.4776 -20.4776 -7.5623 -7.5623 -7.5559 -7.5559 1.5419 1.5419 1.6883 1.6883 1.8036 1.8036 2.1421 2.1421 2.3577 2.3577 2.5005 2.5005 7.5918 7.5918 8.2469 8.2469 8.6497 8.6497 8.8733 8.8733 k = 0.4123 0.4123 0.3602 ( 10330 PWs) bands (ev): -48.5777 -48.5777 -42.8976 -42.8976 -41.7103 -41.7103 -41.7096 -41.7096 -41.7079 -41.7079 -41.7074 -41.7074 -20.6622 -20.6622 -20.4909 -20.4909 -20.4775 -20.4775 -7.5641 -7.5641 -7.5590 -7.5590 1.5185 1.5185 1.6559 1.6559 1.8159 1.8159 2.1525 2.1525 2.4115 2.4115 2.5494 2.5494 7.5840 7.5840 8.2408 8.2408 8.6714 8.6714 8.8267 8.8267 k = 0.4035 0.4035 0.3602 ( 10326 PWs) bands (ev): -48.5778 -48.5778 -42.8976 -42.8976 -41.7105 -41.7105 -41.7098 -41.7098 -41.7076 -41.7076 -41.7071 -41.7071 -20.6622 -20.6622 -20.4908 -20.4908 -20.4775 -20.4775 -7.5662 -7.5662 -7.5623 -7.5623 1.4970 1.4970 1.6254 1.6254 1.8294 1.8294 2.1640 2.1640 2.4663 2.4663 2.5979 2.5979 7.5759 7.5759 8.2314 8.2314 8.6953 8.6953 8.7819 8.7819 k = 0.3947 0.3947 0.3602 ( 10334 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7108 -41.7108 -41.7100 -41.7100 -41.7074 -41.7074 -41.7069 -41.7069 -20.6621 -20.6621 -20.4907 -20.4907 -20.4774 -20.4774 -7.5684 -7.5684 -7.5660 -7.5660 1.4773 1.4773 1.5969 1.5969 1.8441 1.8441 2.1764 2.1764 2.5217 2.5217 2.6457 2.6457 7.5676 7.5676 8.2176 8.2176 8.7210 8.7210 8.7404 8.7404 k = 0.3860 0.3860 0.3602 ( 10328 PWs) bands (ev): -48.5778 -48.5778 -42.8977 -42.8977 -41.7110 -41.7110 -41.7102 -41.7102 -41.7071 -41.7071 -41.7066 -41.7066 -20.6620 -20.6620 -20.4906 -20.4906 -20.4773 -20.4773 -7.5709 -7.5709 -7.5699 -7.5699 1.4595 1.4595 1.5706 1.5706 1.8600 1.8600 2.1899 2.1899 2.5776 2.5776 2.6927 2.6927 7.5592 7.5592 8.1984 8.1984 8.7033 8.7033 8.7487 8.7487 k = 0.3772 0.3772 0.3602 ( 10334 PWs) bands (ev): -48.5778 -48.5778 -42.8978 -42.8978 -41.7113 -41.7113 -41.7105 -41.7105 -41.7068 -41.7068 -41.7063 -41.7063 -20.6619 -20.6619 -20.4905 -20.4905 -20.4772 -20.4772 -7.5740 -7.5740 -7.5736 -7.5736 1.4437 1.4437 1.5465 1.5465 1.8770 1.8770 2.2044 2.2044 2.6338 2.6338 2.7388 2.7388 7.5509 7.5509 8.1727 8.1727 8.6725 8.6725 8.7776 8.7776 k = 0.3684 0.3684 0.3602 ( 10332 PWs) bands (ev): -48.5779 -48.5779 -42.8979 -42.8979 -41.7116 -41.7116 -41.7108 -41.7108 -41.7065 -41.7065 -41.7060 -41.7060 -20.6618 -20.6618 -20.4903 -20.4903 -20.4772 -20.4772 -7.5784 -7.5784 -7.5766 -7.5766 1.4299 1.4299 1.5246 1.5246 1.8951 1.8951 2.2198 2.2198 2.6899 2.6899 2.7837 2.7837 7.5428 7.5428 8.1402 8.1402 8.6483 8.6483 8.8077 8.8077 k = 0.3596 0.3596 0.3602 ( 10328 PWs) bands (ev): -48.5779 -48.5779 -42.8980 -42.8980 -41.7119 -41.7119 -41.7110 -41.7110 -41.7061 -41.7061 -41.7056 -41.7056 -20.6616 -20.6616 -20.4902 -20.4902 -20.4771 -20.4771 -7.5829 -7.5829 -7.5797 -7.5797 1.4182 1.4182 1.5051 1.5051 1.9143 1.9143 2.2361 2.2361 2.7458 2.7458 2.8274 2.8274 7.5352 7.5352 8.1010 8.1010 8.6310 8.6310 8.8385 8.8385 k = 0.3509 0.3509 0.3602 ( 10336 PWs) bands (ev): -48.5779 -48.5779 -42.8981 -42.8981 -41.7123 -41.7123 -41.7113 -41.7113 -41.7058 -41.7058 -41.7053 -41.7053 -20.6615 -20.6615 -20.4901 -20.4901 -20.4770 -20.4770 -7.5877 -7.5877 -7.5831 -7.5831 1.4085 1.4085 1.4880 1.4880 1.9344 1.9344 2.2533 2.2533 2.8011 2.8011 2.8697 2.8697 7.5281 7.5281 8.0558 8.0558 8.6201 8.6201 8.8696 8.8696 k = 0.3421 0.3421 0.3602 ( 10334 PWs) bands (ev): -48.5779 -48.5779 -42.8982 -42.8982 -41.7126 -41.7126 -41.7117 -41.7117 -41.7054 -41.7054 -41.7049 -41.7049 -20.6614 -20.6614 -20.4899 -20.4899 -20.4769 -20.4769 -7.5926 -7.5926 -7.5867 -7.5867 1.4009 1.4009 1.4733 1.4733 1.9556 1.9556 2.2714 2.2714 2.8557 2.8557 2.9105 2.9105 7.5217 7.5217 8.0057 8.0057 8.6147 8.6147 8.9003 8.9003 k = 0.3333 0.3333 0.3602 ( 10330 PWs) bands (ev): -48.5780 -48.5780 -42.8982 -42.8982 -41.7130 -41.7130 -41.7120 -41.7120 -41.7050 -41.7050 -41.7045 -41.7045 -20.6613 -20.6613 -20.4897 -20.4897 -20.4768 -20.4768 -7.5977 -7.5977 -7.5906 -7.5906 1.3954 1.3954 1.4611 1.4611 1.9777 1.9777 2.2904 2.2904 2.9092 2.9092 2.9496 2.9496 7.5161 7.5161 7.9518 7.9518 8.6140 8.6140 8.9301 8.9301 k = 0.3246 0.3246 0.3602 ( 10326 PWs) bands (ev): -48.5780 -48.5780 -42.8983 -42.8983 -41.7134 -41.7134 -41.7123 -41.7123 -41.7046 -41.7046 -41.7041 -41.7041 -20.6611 -20.6611 -20.4896 -20.4896 -20.4767 -20.4767 -7.6030 -7.6030 -7.5946 -7.5946 1.3920 1.3920 1.4514 1.4514 2.0007 2.0007 2.3101 2.3101 2.9614 2.9614 2.9868 2.9868 7.5113 7.5113 7.8951 7.8951 8.6172 8.6172 8.9581 8.9581 k = 0.3158 0.3158 0.3602 ( 10322 PWs) bands (ev): -48.5780 -48.5780 -42.8984 -42.8984 -41.7138 -41.7138 -41.7126 -41.7126 -41.7042 -41.7042 -41.7037 -41.7037 -20.6610 -20.6610 -20.4894 -20.4894 -20.4765 -20.4765 -7.6083 -7.6083 -7.5989 -7.5989 1.3906 1.3906 1.4442 1.4442 2.0245 2.0245 2.3306 2.3306 3.0120 3.0120 3.0222 3.0222 7.5074 7.5074 7.8366 7.8366 8.6235 8.6235 8.9835 8.9835 k = 0.3070 0.3070 0.3602 ( 10334 PWs) bands (ev): -48.5781 -48.5781 -42.8985 -42.8985 -41.7142 -41.7142 -41.7130 -41.7130 -41.7038 -41.7038 -41.7033 -41.7033 -20.6608 -20.6608 -20.4892 -20.4892 -20.4764 -20.4764 -7.6138 -7.6138 -7.6033 -7.6033 1.3913 1.3913 1.4395 1.4395 2.0492 2.0492 2.3518 2.3518 3.0555 3.0555 3.0607 3.0607 7.5045 7.5045 7.7770 7.7770 8.6325 8.6325 9.0054 9.0054 k = 0.2982 0.2982 0.3602 ( 10340 PWs) bands (ev): -48.5781 -48.5781 -42.8987 -42.8987 -41.7146 -41.7146 -41.7133 -41.7133 -41.7034 -41.7034 -41.7029 -41.7029 -20.6607 -20.6607 -20.4890 -20.4890 -20.4763 -20.4763 -7.6193 -7.6193 -7.6080 -7.6080 1.3941 1.3941 1.4374 1.4374 2.0745 2.0745 2.3737 2.3737 3.0868 3.0868 3.1073 3.1073 7.5024 7.5024 7.7170 7.7170 8.6438 8.6438 9.0229 9.0229 k = 0.2895 0.2895 0.3602 ( 10340 PWs) bands (ev): -48.5782 -48.5782 -42.8988 -42.8988 -41.7150 -41.7150 -41.7137 -41.7137 -41.7029 -41.7029 -41.7025 -41.7025 -20.6605 -20.6605 -20.4888 -20.4888 -20.4762 -20.4762 -7.6249 -7.6249 -7.6129 -7.6129 1.3989 1.3989 1.4379 1.4379 2.1006 2.1006 2.3962 2.3962 3.1158 3.1158 3.1513 3.1513 7.5010 7.5010 7.6570 7.6570 8.6572 8.6572 9.0350 9.0350 k = 0.2807 0.2807 0.3602 ( 10330 PWs) bands (ev): -48.5782 -48.5782 -42.8989 -42.8989 -41.7154 -41.7154 -41.7141 -41.7140 -41.7025 -41.7025 -41.7020 -41.7020 -20.6604 -20.6604 -20.4887 -20.4887 -20.4761 -20.4761 -7.6305 -7.6305 -7.6179 -7.6179 1.4057 1.4057 1.4409 1.4409 2.1272 2.1272 2.4193 2.4193 3.1425 3.1425 3.1926 3.1926 7.5003 7.5003 7.5975 7.5975 8.6725 8.6725 9.0412 9.0412 k = 0.2719 0.2719 0.3602 ( 10330 PWs) bands (ev): -48.5782 -48.5782 -42.8990 -42.8990 -41.7158 -41.7158 -41.7144 -41.7144 -41.7020 -41.7020 -41.7016 -41.7016 -20.6602 -20.6602 -20.4885 -20.4885 -20.4759 -20.4759 -7.6362 -7.6362 -7.6232 -7.6232 1.4146 1.4146 1.4465 1.4465 2.1544 2.1544 2.4429 2.4429 3.1669 3.1669 3.2308 3.2308 7.5000 7.5000 7.5389 7.5389 8.6896 8.6896 9.0411 9.0411 k = 0.2632 0.2632 0.3602 ( 10318 PWs) bands (ev): -48.5783 -48.5783 -42.8991 -42.8991 -41.7162 -41.7162 -41.7148 -41.7148 -41.7016 -41.7016 -41.7011 -41.7011 -20.6600 -20.6600 -20.4883 -20.4883 -20.4758 -20.4758 -7.6419 -7.6419 -7.6285 -7.6285 1.4255 1.4255 1.4546 1.4546 2.1820 2.1820 2.4670 2.4670 3.1889 3.1889 3.2658 3.2658 7.4815 7.4815 7.4999 7.4999 8.7084 8.7084 9.0346 9.0346 k = 0.2544 0.2544 0.3602 ( 10310 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7167 -41.7167 -41.7152 -41.7152 -41.7011 -41.7011 -41.7007 -41.7007 -20.6599 -20.6599 -20.4880 -20.4880 -20.4757 -20.4757 -7.6476 -7.6476 -7.6340 -7.6340 1.4383 1.4383 1.4651 1.4651 2.2101 2.2101 2.4915 2.4915 3.2084 3.2084 3.2971 3.2971 7.4255 7.4255 7.4995 7.4995 8.7290 8.7290 9.0223 9.0223 k = 0.2456 0.2456 0.3602 ( 10318 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7171 -41.7171 -41.7155 -41.7155 -41.7007 -41.7007 -41.7002 -41.7002 -20.6597 -20.6597 -20.4878 -20.4878 -20.4756 -20.4756 -7.6532 -7.6532 -7.6397 -7.6397 1.4531 1.4531 1.4781 1.4781 2.2384 2.2384 2.5163 2.5163 3.2256 3.2256 3.3246 3.3246 7.3712 7.3712 7.4985 7.4985 8.7515 8.7515 9.0051 9.0051 k = 0.2368 0.2368 0.3602 ( 10306 PWs) bands (ev): -48.5784 -48.5784 -42.8994 -42.8994 -41.7175 -41.7175 -41.7159 -41.7159 -41.7002 -41.7002 -41.6998 -41.6998 -20.6595 -20.6595 -20.4876 -20.4876 -20.4754 -20.4754 -7.6589 -7.6589 -7.6454 -7.6454 1.4698 1.4698 1.4935 1.4935 2.2671 2.2671 2.5414 2.5414 3.2402 3.2402 3.3480 3.3480 7.3188 7.3188 7.4963 7.4963 8.7757 8.7757 8.9843 8.9843 k = 0.2281 0.2281 0.3602 ( 10302 PWs) bands (ev): -48.5784 -48.5784 -42.8995 -42.8995 -41.7179 -41.7179 -41.7163 -41.7163 -41.6998 -41.6998 -41.6993 -41.6993 -20.6594 -20.6594 -20.4874 -20.4874 -20.4753 -20.4753 -7.6644 -7.6644 -7.6513 -7.6513 1.4884 1.4884 1.5113 1.5113 2.2958 2.2958 2.5667 2.5667 3.2524 3.2524 3.3673 3.3673 7.2684 7.2684 7.4925 7.4925 8.8018 8.8018 8.9614 8.9614 k = 0.2193 0.2193 0.3602 ( 10294 PWs) bands (ev): -48.5784 -48.5784 -42.8996 -42.8996 -41.7184 -41.7184 -41.7166 -41.7166 -41.6993 -41.6993 -41.6989 -41.6989 -20.6592 -20.6592 -20.4872 -20.4872 -20.4752 -20.4752 -7.6699 -7.6699 -7.6572 -7.6572 1.5089 1.5089 1.5313 1.5313 2.3247 2.3247 2.5922 2.5922 3.2621 3.2621 3.3822 3.3822 7.2202 7.2202 7.4863 7.4863 8.8299 8.8299 8.9380 8.9380 k = 0.2105 0.2105 0.3602 ( 10302 PWs) bands (ev): -48.5785 -48.5785 -42.8997 -42.8997 -41.7188 -41.7188 -41.7170 -41.7170 -41.6989 -41.6989 -41.6985 -41.6985 -20.6590 -20.6590 -20.4870 -20.4870 -20.4751 -20.4751 -7.6753 -7.6753 -7.6631 -7.6631 1.5312 1.5312 1.5535 1.5535 2.3536 2.3536 2.6177 2.6177 3.2695 3.2695 3.3926 3.3926 7.1744 7.1744 7.4774 7.4774 8.8598 8.8598 8.9157 8.9157 k = 0.2018 0.2018 0.3602 ( 10310 PWs) bands (ev): -48.5785 -48.5785 -42.8998 -42.8998 -41.7192 -41.7192 -41.7173 -41.7173 -41.6984 -41.6984 -41.6980 -41.6980 -20.6588 -20.6588 -20.4868 -20.4868 -20.4749 -20.4749 -7.6806 -7.6806 -7.6691 -7.6691 1.5553 1.5553 1.5778 1.5778 2.3823 2.3823 2.6432 2.6432 3.2744 3.2744 3.3985 3.3985 7.1309 7.1309 7.4650 7.4650 8.8916 8.8916 8.8962 8.8962 k = 0.1930 0.1930 0.3602 ( 10310 PWs) bands (ev): -48.5785 -48.5785 -42.8999 -42.8999 -41.7196 -41.7196 -41.7177 -41.7177 -41.6980 -41.6980 -41.6976 -41.6976 -20.6587 -20.6587 -20.4866 -20.4866 -20.4748 -20.4748 -7.6858 -7.6858 -7.6751 -7.6751 1.5811 1.5811 1.6041 1.6041 2.4109 2.4109 2.6686 2.6686 3.2770 3.2770 3.3998 3.3998 7.0898 7.0898 7.4488 7.4488 8.8804 8.8804 8.9256 8.9256 k = 0.1842 0.1842 0.3602 ( 10310 PWs) bands (ev): -48.5786 -48.5786 -42.9000 -42.9000 -41.7200 -41.7200 -41.7180 -41.7180 -41.6976 -41.6976 -41.6972 -41.6972 -20.6585 -20.6585 -20.4864 -20.4864 -20.4747 -20.4747 -7.6908 -7.6908 -7.6810 -7.6810 1.6087 1.6087 1.6323 1.6323 2.4391 2.4391 2.6938 2.6938 3.2774 3.2774 3.3966 3.3966 7.0512 7.0512 7.4286 7.4286 8.8697 8.8697 8.9612 8.9612 k = 0.1754 0.1754 0.3602 ( 10310 PWs) bands (ev): -48.5786 -48.5786 -42.9001 -42.9001 -41.7204 -41.7204 -41.7184 -41.7184 -41.6972 -41.6972 -41.6968 -41.6968 -20.6584 -20.6584 -20.4862 -20.4862 -20.4746 -20.4746 -7.6957 -7.6957 -7.6869 -7.6869 1.6379 1.6379 1.6623 1.6623 2.4670 2.4670 2.7188 2.7188 3.2755 3.2755 3.3891 3.3891 7.0150 7.0150 7.4042 7.4042 8.8646 8.8646 8.9987 8.9987 k = 0.1667 0.1667 0.3602 ( 10290 PWs) bands (ev): -48.5786 -48.5786 -42.9002 -42.9002 -41.7207 -41.7207 -41.7187 -41.7187 -41.6968 -41.6968 -41.6964 -41.6964 -20.6582 -20.6582 -20.4860 -20.4860 -20.4745 -20.4745 -7.7005 -7.7005 -7.6927 -7.6927 1.6687 1.6687 1.6939 1.6939 2.4944 2.4944 2.7433 2.7433 3.2714 3.2714 3.3772 3.3772 6.9813 6.9813 7.3757 7.3757 8.8655 8.8655 9.0378 9.0378 k = 0.1579 0.1579 0.3602 ( 10294 PWs) bands (ev): -48.5787 -48.5787 -42.9003 -42.9003 -41.7211 -41.7211 -41.7190 -41.7190 -41.6964 -41.6964 -41.6960 -41.6960 -20.6580 -20.6580 -20.4858 -20.4858 -20.4744 -20.4743 -7.7050 -7.7050 -7.6984 -7.6984 1.7011 1.7011 1.7271 1.7271 2.5211 2.5211 2.7674 2.7674 3.2653 3.2653 3.3611 3.3611 6.9499 6.9499 7.3435 7.3435 8.8725 8.8725 9.0784 9.0784 k = 0.1491 0.1491 0.3602 ( 10298 PWs) bands (ev): -48.5787 -48.5787 -42.9004 -42.9004 -41.7215 -41.7215 -41.7193 -41.7193 -41.6960 -41.6960 -41.6957 -41.6957 -20.6579 -20.6579 -20.4856 -20.4856 -20.4742 -20.4742 -7.7094 -7.7094 -7.7040 -7.7040 1.7349 1.7349 1.7615 1.7615 2.5472 2.5472 2.7910 2.7910 3.2572 3.2572 3.3412 3.3412 6.9208 6.9208 7.3082 7.3082 8.8854 8.8854 9.1203 9.1203 k = 0.1404 0.1404 0.3602 ( 10302 PWs) bands (ev): -48.5787 -48.5787 -42.9005 -42.9005 -41.7218 -41.7218 -41.7196 -41.7196 -41.6957 -41.6957 -41.6953 -41.6953 -20.6577 -20.6577 -20.4854 -20.4854 -20.4741 -20.4741 -7.7136 -7.7136 -7.7094 -7.7094 1.7701 1.7701 1.7971 1.7971 2.5725 2.5725 2.8139 2.8139 3.2472 3.2472 3.3175 3.3175 6.8939 6.8939 7.2702 7.2702 8.9039 8.9039 9.1632 9.1632 k = 0.1316 0.1316 0.3602 ( 10294 PWs) bands (ev): -48.5788 -48.5788 -42.9006 -42.9006 -41.7221 -41.7221 -41.7199 -41.7199 -41.6953 -41.6953 -41.6950 -41.6950 -20.6576 -20.6576 -20.4852 -20.4852 -20.4740 -20.4740 -7.7176 -7.7176 -7.7146 -7.7146 1.8067 1.8067 1.8337 1.8337 2.5969 2.5969 2.8360 2.8360 3.2355 3.2355 3.2904 3.2904 6.8692 6.8692 7.2304 7.2304 8.9273 8.9273 9.2069 9.2069 k = 0.1228 0.1228 0.3602 ( 10302 PWs) bands (ev): -48.5788 -48.5788 -42.9007 -42.9007 -41.7224 -41.7224 -41.7201 -41.7201 -41.6950 -41.6950 -41.6947 -41.6947 -20.6575 -20.6575 -20.4851 -20.4851 -20.4739 -20.4739 -7.7214 -7.7214 -7.7196 -7.7196 1.8444 1.8444 1.8710 1.8710 2.6203 2.6203 2.8573 2.8573 3.2221 3.2221 3.2602 3.2602 6.8465 6.8465 7.1894 7.1894 8.9551 8.9551 9.2510 9.2510 k = 0.1140 0.1140 0.3602 ( 10306 PWs) bands (ev): -48.5788 -48.5788 -42.9007 -42.9007 -41.7227 -41.7227 -41.7204 -41.7204 -41.6947 -41.6947 -41.6944 -41.6944 -20.6573 -20.6573 -20.4849 -20.4849 -20.4739 -20.4739 -7.7249 -7.7249 -7.7244 -7.7244 1.8833 1.8833 1.9088 1.9088 2.6426 2.6426 2.8777 2.8777 3.2072 3.2072 3.2272 3.2272 6.8259 6.8259 7.1480 7.1480 8.9865 8.9865 9.2952 9.2952 k = 0.1053 0.1053 0.3602 ( 10308 PWs) bands (ev): -48.5788 -48.5788 -42.9008 -42.9008 -41.7230 -41.7230 -41.7206 -41.7206 -41.6944 -41.6944 -41.6941 -41.6941 -20.6572 -20.6572 -20.4848 -20.4848 -20.4738 -20.4738 -7.7290 -7.7290 -7.7282 -7.7282 1.9232 1.9232 1.9467 1.9467 2.6637 2.6637 2.8970 2.8970 3.1910 3.1910 3.1918 3.1918 6.8071 6.8071 7.1069 7.1069 9.0208 9.0208 9.3391 9.3391 k = 0.0965 0.0965 0.3602 ( 10320 PWs) bands (ev): -48.5789 -48.5789 -42.9009 -42.9009 -41.7233 -41.7233 -41.7209 -41.7209 -41.6942 -41.6942 -41.6938 -41.6938 -20.6571 -20.6571 -20.4846 -20.4846 -20.4737 -20.4737 -7.7333 -7.7333 -7.7313 -7.7313 1.9639 1.9639 1.9846 1.9846 2.6836 2.6836 2.9152 2.9152 3.1542 3.1542 3.1737 3.1737 6.7902 6.7902 7.0668 7.0668 9.0571 9.0571 9.3822 9.3822 k = 0.0877 0.0877 0.3602 ( 10314 PWs) bands (ev): -48.5789 -48.5789 -42.9009 -42.9009 -41.7235 -41.7235 -41.7210 -41.7210 -41.6939 -41.6939 -41.6936 -41.6936 -20.6570 -20.6570 -20.4845 -20.4845 -20.4736 -20.4736 -7.7372 -7.7372 -7.7342 -7.7342 2.0052 2.0052 2.0220 2.0220 2.7020 2.7020 2.9321 2.9321 3.1150 3.1150 3.1556 3.1556 6.7750 6.7750 7.0282 7.0282 9.0947 9.0947 9.4240 9.4240 k = 0.0789 0.0789 0.3602 ( 10312 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7237 -41.7237 -41.7212 -41.7212 -41.6937 -41.6937 -41.6933 -41.6933 -20.6569 -20.6569 -20.4844 -20.4844 -20.4735 -20.4735 -7.7409 -7.7409 -7.7368 -7.7368 2.0469 2.0469 2.0586 2.0586 2.7190 2.7190 2.9477 2.9477 3.0745 3.0745 3.1368 3.1368 6.7614 6.7614 6.9917 6.9917 9.1327 9.1327 9.4641 9.4641 k = 0.0702 0.0702 0.3602 ( 10300 PWs) bands (ev): -48.5789 -48.5789 -42.9010 -42.9010 -41.7239 -41.7239 -41.7214 -41.7214 -41.6935 -41.6935 -41.6931 -41.6931 -20.6568 -20.6568 -20.4843 -20.4843 -20.4735 -20.4735 -7.7442 -7.7442 -7.7391 -7.7391 2.0887 2.0887 2.0939 2.0939 2.7344 2.7344 2.9619 2.9619 3.0334 3.0334 3.1178 3.1178 6.7494 6.7494 6.9578 6.9578 9.1703 9.1703 9.5020 9.5020 k = 0.0614 0.0614 0.3602 ( 10288 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7241 -41.7241 -41.7215 -41.7215 -41.6933 -41.6933 -41.6929 -41.6929 -20.6568 -20.6568 -20.4842 -20.4842 -20.4734 -20.4734 -7.7472 -7.7472 -7.7412 -7.7412 2.1272 2.1272 2.1302 2.1302 2.7482 2.7482 2.9745 2.9745 2.9922 2.9922 3.0990 3.0990 6.7390 6.7390 6.9269 6.9269 9.2066 9.2066 9.5371 9.5371 k = 0.0526 0.0526 0.3602 ( 10290 PWs) bands (ev): -48.5789 -48.5789 -42.9011 -42.9011 -41.7242 -41.7242 -41.7217 -41.7217 -41.6931 -41.6931 -41.6928 -41.6928 -20.6567 -20.6567 -20.4841 -20.4841 -20.4734 -20.4734 -7.7498 -7.7498 -7.7430 -7.7430 2.1584 2.1584 2.1707 2.1707 2.7603 2.7603 2.9512 2.9512 2.9859 2.9859 3.0809 3.0809 6.7301 6.7301 6.8994 6.8994 9.2407 9.2407 9.5689 9.5689 k = 0.0439 0.0439 0.3602 ( 10298 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7243 -41.7243 -41.7218 -41.7218 -41.6930 -41.6930 -41.6927 -41.6927 -20.6566 -20.6566 -20.4840 -20.4840 -20.4733 -20.4733 -7.7521 -7.7521 -7.7445 -7.7445 2.1865 2.1865 2.2095 2.2095 2.7706 2.7706 2.9120 2.9120 2.9954 2.9954 3.0640 3.0640 6.7226 6.7226 6.8755 6.8755 9.2716 9.2716 9.5968 9.5968 k = 0.0351 0.0351 0.3602 ( 10310 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7244 -41.7244 -41.7219 -41.7219 -41.6929 -41.6929 -41.6926 -41.6926 -20.6566 -20.6566 -20.4839 -20.4839 -20.4733 -20.4733 -7.7539 -7.7539 -7.7458 -7.7458 2.2108 2.2108 2.2455 2.2455 2.7791 2.7791 2.8755 2.8755 3.0032 3.0032 3.0489 3.0489 6.7165 6.7165 6.8557 6.8557 9.2985 9.2985 9.6204 9.6204 k = 0.0263 0.0263 0.3602 ( 10310 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7245 -41.7245 -41.7219 -41.7219 -41.6928 -41.6928 -41.6925 -41.6925 -20.6565 -20.6565 -20.4839 -20.4839 -20.4733 -20.4733 -7.7553 -7.7553 -7.7467 -7.7467 2.2308 2.2308 2.2772 2.2772 2.7857 2.7857 2.8434 2.8434 3.0090 3.0090 3.0365 3.0365 6.7118 6.7118 6.8400 6.8400 9.3205 9.3205 9.6392 9.6392 k = 0.0175 0.0175 0.3602 ( 10314 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4839 -20.4839 -20.4733 -20.4733 -7.7564 -7.7564 -7.7474 -7.7474 2.2457 2.2457 2.3025 2.3025 2.7902 2.7902 2.8179 2.8179 3.0126 3.0126 3.0277 3.0277 6.7085 6.7085 6.8287 6.8287 9.3368 9.3368 9.6527 9.6527 k = 0.0088 0.0088 0.3602 ( 10326 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4838 -20.4838 -20.4733 -20.4733 -7.7570 -7.7570 -7.7479 -7.7479 2.2548 2.2548 2.3192 2.3192 2.7919 2.7919 2.8021 2.8021 3.0135 3.0135 3.0235 3.0235 6.7065 6.7065 6.8219 6.8219 9.3469 9.3469 9.6602 9.6602 k = 0.0000 0.0000 0.3602 ( 10306 PWs) bands (ev): -48.5790 -48.5790 -42.9012 -42.9012 -41.7246 -41.7246 -41.7220 -41.7220 -41.6927 -41.6927 -41.6924 -41.6924 -20.6565 -20.6565 -20.4838 -20.4838 -20.4732 -20.4732 -7.7572 -7.7572 -7.7480 -7.7480 2.2579 2.2579 2.3250 2.3250 2.7908 2.7908 2.7983 2.7983 3.0131 3.0131 3.0227 3.0227 6.7058 6.7058 6.8196 6.8196 9.3503 9.3503 9.6622 9.6623 k = 0.0000 0.5000-0.0000 ( 10344 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7183 -41.7183 -41.7173 -41.7173 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6788 -7.6788 -7.6123 -7.6123 1.4723 1.4723 1.4947 1.4947 2.2354 2.2354 2.5564 2.5564 3.1486 3.1486 3.2649 3.2649 6.9992 6.9992 8.0488 8.0488 8.9635 8.9635 9.0022 9.0022 k = 0.0000 0.5000 0.0124 ( 10344 PWs) bands (ev): -48.5783 -48.5783 -42.8993 -42.8993 -41.7183 -41.7183 -41.7173 -41.7173 -41.6990 -41.6990 -41.6989 -41.6989 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6787 -7.6787 -7.6123 -7.6123 1.4697 1.4697 1.4907 1.4907 2.2407 2.2407 2.5594 2.5594 3.1488 3.1488 3.2649 3.2649 6.9985 6.9985 8.0463 8.0463 8.9640 8.9640 9.0036 9.0036 k = 0.0000 0.5000 0.0248 ( 10340 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7183 -41.7183 -41.7173 -41.7173 -41.6991 -41.6991 -41.6990 -41.6990 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6784 -7.6784 -7.6123 -7.6123 1.4620 1.4620 1.4791 1.4791 2.2563 2.2563 2.5684 2.5684 3.1495 3.1495 3.2651 3.2651 6.9964 6.9964 8.0390 8.0390 8.9658 8.9658 9.0077 9.0077 k = 0.0000 0.5000 0.0373 ( 10336 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7182 -41.7182 -41.7172 -41.7172 -41.6991 -41.6991 -41.6990 -41.6990 -20.6599 -20.6599 -20.4889 -20.4889 -20.4743 -20.4743 -7.6781 -7.6781 -7.6124 -7.6124 1.4495 1.4495 1.4609 1.4609 2.2811 2.2811 2.5830 2.5830 3.1507 3.1507 3.2654 3.2654 6.9929 6.9929 8.0268 8.0268 8.9687 8.9687 9.0146 9.0146 k = 0.0000 0.5000 0.0497 ( 10336 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7181 -41.7181 -41.7171 -41.7171 -41.6992 -41.6992 -41.6991 -41.6991 -20.6599 -20.6599 -20.4889 -20.4889 -20.4744 -20.4744 -7.6775 -7.6775 -7.6124 -7.6124 1.4326 1.4326 1.4372 1.4372 2.3139 2.3139 2.6026 2.6026 3.1523 3.1523 3.2659 3.2659 6.9881 6.9881 8.0100 8.0100 8.9728 8.9728 9.0243 9.0243 k = 0.0000 0.5000 0.0621 ( 10330 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7180 -41.7180 -41.7170 -41.7170 -41.6994 -41.6994 -41.6992 -41.6992 -20.6599 -20.6599 -20.4889 -20.4889 -20.4744 -20.4744 -7.6769 -7.6769 -7.6125 -7.6125 1.4095 1.4095 1.4121 1.4121 2.3532 2.3532 2.6268 2.6268 3.1544 3.1544 3.2664 3.2664 6.9819 6.9819 7.9887 7.9887 8.9781 8.9781 9.0368 9.0368 k = 0.0000 0.5000 0.0745 ( 10346 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7178 -41.7178 -41.7169 -41.7169 -41.6995 -41.6995 -41.6994 -41.6994 -20.6599 -20.6599 -20.4889 -20.4889 -20.4744 -20.4744 -7.6761 -7.6761 -7.6125 -7.6125 1.3790 1.3790 1.3885 1.3885 2.3978 2.3978 2.6547 2.6547 3.1568 3.1568 3.2671 3.2671 6.9745 6.9745 7.9632 7.9632 8.9846 8.9846 9.0520 9.0520 k = 0.0000 0.5000 0.0869 ( 10334 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7177 -41.7177 -41.7167 -41.7167 -41.6997 -41.6997 -41.6996 -41.6996 -20.6599 -20.6599 -20.4889 -20.4889 -20.4744 -20.4744 -7.6751 -7.6751 -7.6126 -7.6126 1.3467 1.3467 1.3625 1.3625 2.4464 2.4464 2.6858 2.6858 3.1597 3.1597 3.2679 3.2679 6.9659 6.9659 7.9337 7.9337 8.9923 8.9923 9.0690 9.0690 k = 0.0000 0.5000 0.0994 ( 10330 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7175 -41.7175 -41.7165 -41.7165 -41.6999 -41.6999 -41.6997 -41.6997 -20.6600 -20.6600 -20.4889 -20.4889 -20.4744 -20.4744 -7.6741 -7.6741 -7.6127 -7.6127 1.3134 1.3134 1.3346 1.3346 2.4983 2.4983 2.7194 2.7194 3.1629 3.1629 3.2688 3.2688 6.9562 6.9562 7.9007 7.9007 9.0012 9.0012 9.0311 9.0311 k = 0.0000 0.5000 0.1118 ( 10330 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7172 -41.7172 -41.7163 -41.7163 -41.7001 -41.7001 -41.7000 -41.7000 -20.6600 -20.6600 -20.4889 -20.4889 -20.4745 -20.4745 -7.6730 -7.6730 -7.6128 -7.6128 1.2798 1.2798 1.3054 1.3054 2.5527 2.5527 2.7549 2.7549 3.1664 3.1664 3.2697 3.2697 6.9454 6.9454 7.8644 7.8644 8.9891 8.9891 9.0113 9.0113 k = 0.0000 0.5000 0.1242 ( 10328 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7170 -41.7170 -41.7161 -41.7161 -41.7004 -41.7004 -41.7002 -41.7002 -20.6600 -20.6600 -20.4889 -20.4889 -20.4745 -20.4745 -7.6717 -7.6717 -7.6129 -7.6129 1.2462 1.2462 1.2755 1.2755 2.6087 2.6087 2.7917 2.7917 3.1702 3.1702 3.2708 3.2708 6.9337 6.9337 7.8253 7.8253 8.9454 8.9454 9.0226 9.0226 k = 0.0000 0.5000 0.1366 ( 10318 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7167 -41.7167 -41.7158 -41.7158 -41.7007 -41.7007 -41.7005 -41.7005 -20.6600 -20.6600 -20.4889 -20.4889 -20.4745 -20.4745 -7.6704 -7.6704 -7.6130 -7.6130 1.2133 1.2133 1.2452 1.2452 2.6660 2.6660 2.8293 2.8293 3.1743 3.1743 3.2719 3.2719 6.9211 6.9211 7.7838 7.7838 8.9006 8.9006 9.0351 9.0351 k = 0.0000 0.5000 0.1490 ( 10322 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7164 -41.7164 -41.7155 -41.7155 -41.7010 -41.7010 -41.7007 -41.7007 -20.6600 -20.6600 -20.4889 -20.4889 -20.4745 -20.4745 -7.6691 -7.6691 -7.6131 -7.6131 1.1811 1.1811 1.2149 1.2149 2.7239 2.7239 2.8673 2.8673 3.1785 3.1785 3.2730 3.2730 6.9079 6.9079 7.7403 7.7403 8.8554 8.8554 9.0486 9.0486 k = 0.0000 0.5000 0.1615 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7160 -41.7160 -41.7152 -41.7152 -41.7013 -41.7013 -41.7010 -41.7010 -20.6600 -20.6600 -20.4889 -20.4889 -20.4746 -20.4746 -7.6677 -7.6677 -7.6132 -7.6132 1.1501 1.1501 1.1851 1.1851 2.7820 2.7820 2.9052 2.9052 3.1829 3.1829 3.2742 3.2742 6.8941 6.8941 7.6953 7.6953 8.8102 8.8102 9.0632 9.0632 k = 0.0000 0.5000 0.1739 ( 10290 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7157 -41.7157 -41.7149 -41.7149 -41.7016 -41.7016 -41.7014 -41.7014 -20.6600 -20.6600 -20.4889 -20.4889 -20.4746 -20.4746 -7.6662 -7.6662 -7.6133 -7.6133 1.1204 1.1204 1.1558 1.1558 2.8399 2.8399 2.9427 2.9427 3.1874 3.1874 3.2754 3.2754 6.8800 6.8800 7.6492 7.6492 8.7657 8.7657 9.0787 9.0787 k = 0.0000 0.5000 0.1863 ( 10278 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7153 -41.7153 -41.7145 -41.7145 -41.7020 -41.7020 -41.7017 -41.7017 -20.6600 -20.6600 -20.4889 -20.4889 -20.4746 -20.4746 -7.6648 -7.6648 -7.6134 -7.6134 1.0921 1.0921 1.1275 1.1275 2.8971 2.8971 2.9794 2.9794 3.1920 3.1920 3.2766 3.2766 6.8656 6.8656 7.6026 7.6026 8.7221 8.7221 9.0951 9.0951 k = 0.0000 0.5000 0.1987 ( 10286 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7149 -41.7149 -41.7142 -41.7142 -41.7024 -41.7024 -41.7021 -41.7021 -20.6600 -20.6600 -20.4889 -20.4889 -20.4747 -20.4747 -7.6634 -7.6634 -7.6136 -7.6136 1.0654 1.0654 1.1004 1.1004 2.9531 2.9531 3.0150 3.0150 3.1965 3.1965 3.2778 3.2778 6.8511 6.8511 7.5559 7.5559 8.6801 8.6801 9.1122 9.1122 k = 0.0000 0.5000 0.2111 ( 10286 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7145 -41.7145 -41.7138 -41.7138 -41.7028 -41.7028 -41.7024 -41.7024 -20.6601 -20.6601 -20.4889 -20.4889 -20.4747 -20.4747 -7.6620 -7.6620 -7.6137 -7.6137 1.0403 1.0403 1.0746 1.0746 3.0076 3.0076 3.0493 3.0493 3.2010 3.2010 3.2790 3.2790 6.8368 6.8368 7.5097 7.5097 8.6398 8.6398 9.1299 9.1299 k = 0.0000 0.5000 0.2236 ( 10298 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7141 -41.7141 -41.7134 -41.7134 -41.7032 -41.7032 -41.7028 -41.7028 -20.6601 -20.6601 -20.4889 -20.4889 -20.4747 -20.4747 -7.6606 -7.6606 -7.6138 -7.6138 1.0170 1.0170 1.0502 1.0502 3.0600 3.0600 3.0818 3.0818 3.2054 3.2054 3.2802 3.2802 6.8228 6.8228 7.4644 7.4644 8.6017 8.6017 9.1480 9.1480 k = 0.0000 0.5000 0.2360 ( 10298 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7137 -41.7137 -41.7130 -41.7130 -41.7037 -41.7037 -41.7032 -41.7032 -20.6601 -20.6601 -20.4889 -20.4889 -20.4748 -20.4748 -7.6593 -7.6593 -7.6139 -7.6139 0.9956 0.9956 1.0276 1.0276 3.1100 3.1100 3.1125 3.1125 3.2097 3.2097 3.2813 3.2813 6.8092 6.8092 7.4207 7.4207 8.5660 8.5660 9.1664 9.1664 k = 0.0000 0.5000 0.2484 ( 10304 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7132 -41.7132 -41.7126 -41.7126 -41.7041 -41.7041 -41.7037 -41.7037 -20.6601 -20.6601 -20.4889 -20.4889 -20.4748 -20.4748 -7.6581 -7.6581 -7.6140 -7.6140 0.9760 0.9760 1.0068 1.0068 3.1409 3.1409 3.1570 3.1570 3.2138 3.2138 3.2824 3.2824 6.7962 6.7962 7.3790 7.3790 8.5329 8.5329 9.1849 9.1849 k = 0.0000 0.5000 0.2608 ( 10298 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7127 -41.7127 -41.7122 -41.7122 -41.7046 -41.7046 -41.7041 -41.7041 -20.6601 -20.6601 -20.4889 -20.4889 -20.4748 -20.4748 -7.6569 -7.6569 -7.6141 -7.6141 0.9584 0.9584 0.9878 0.9878 3.1670 3.1670 3.2002 3.2002 3.2181 3.2181 3.2834 3.2834 6.7841 6.7841 7.3398 7.3398 8.5028 8.5028 9.2030 9.2030 k = 0.0000 0.5000 0.2732 ( 10298 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7123 -41.7123 -41.7117 -41.7117 -41.7051 -41.7051 -41.7045 -41.7045 -20.6601 -20.6601 -20.4889 -20.4889 -20.4748 -20.4748 -7.6559 -7.6559 -7.6142 -7.6142 0.9428 0.9428 0.9709 0.9709 3.1904 3.1904 3.2201 3.2201 3.2415 3.2415 3.2844 3.2844 6.7730 6.7730 7.3038 7.3038 8.4758 8.4758 9.2206 9.2206 k = 0.0000 0.5000 0.2857 ( 10298 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7118 -41.7118 -41.7113 -41.7113 -41.7056 -41.7056 -41.7049 -41.7049 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6549 -7.6549 -7.6142 -7.6142 0.9292 0.9292 0.9560 0.9560 3.2108 3.2108 3.2239 3.2239 3.2762 3.2762 3.2858 3.2858 6.7630 6.7630 7.2713 7.2713 8.4520 8.4520 9.2373 9.2373 k = 0.0000 0.5000 0.2981 ( 10310 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7113 -41.7113 -41.7109 -41.7109 -41.7061 -41.7061 -41.7054 -41.7054 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6541 -7.6541 -7.6143 -7.6143 0.9176 0.9176 0.9434 0.9434 3.2247 3.2247 3.2306 3.2306 3.2855 3.2855 3.3082 3.3082 6.7543 6.7543 7.2429 7.2429 8.4317 8.4317 9.2526 9.2526 k = 0.0000 0.5000 0.3105 ( 10322 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7108 -41.7108 -41.7105 -41.7105 -41.7066 -41.7066 -41.7058 -41.7058 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6534 -7.6534 -7.6144 -7.6144 0.9081 0.9081 0.9329 0.9329 3.2279 3.2279 3.2443 3.2443 3.2863 3.2863 3.3340 3.3340 6.7470 6.7470 7.2190 7.2190 8.4149 8.4149 9.2661 9.2661 k = 0.0000 0.5000 0.3229 ( 10296 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7103 -41.7103 -41.7101 -41.7101 -41.7071 -41.7071 -41.7062 -41.7062 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6529 -7.6529 -7.6144 -7.6144 0.9007 0.9007 0.9247 0.9247 3.2298 3.2298 3.2557 3.2557 3.2869 3.2869 3.3545 3.3545 6.7412 6.7412 7.2000 7.2000 8.4017 8.4017 9.2773 9.2773 k = 0.0000 0.5000 0.3354 ( 10308 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7098 -41.7098 -41.7098 -41.7098 -41.7076 -41.7076 -41.7065 -41.7065 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6525 -7.6525 -7.6144 -7.6144 0.8954 0.8954 0.9189 0.9189 3.2312 3.2312 3.2638 3.2638 3.2874 3.2874 3.3694 3.3694 6.7370 6.7370 7.1862 7.1862 8.3923 8.3923 9.2857 9.2857 k = 0.0000 0.5000 0.3478 ( 10308 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7095 -41.7095 -41.7093 -41.7093 -41.7081 -41.7081 -41.7067 -41.7067 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6523 -7.6523 -7.6144 -7.6144 0.8923 0.8923 0.9153 0.9153 3.2320 3.2320 3.2687 3.2687 3.2878 3.2878 3.3784 3.3784 6.7344 6.7344 7.1779 7.1779 8.3866 8.3866 9.2909 9.2909 k = 0.0000 0.5000 0.3602 ( 10316 PWs) bands (ev): -48.5783 -48.5783 -42.8992 -42.8992 -41.7094 -41.7094 -41.7090 -41.7090 -41.7084 -41.7084 -41.7068 -41.7068 -20.6601 -20.6601 -20.4889 -20.4889 -20.4749 -20.4749 -7.6522 -7.6522 -7.6145 -7.6145 0.8912 0.8912 0.9142 0.9142 3.2322 3.2322 3.2703 3.2703 3.2879 3.2879 3.3815 3.3815 6.7336 6.7336 7.1750 7.1750 8.3847 8.3847 9.2927 9.2927 k = 0.5000 0.5000-0.0000 ( 10300 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5707 -7.5707 -7.5517 -7.5517 1.5291 1.5291 1.5322 1.5322 2.1744 2.1744 2.3888 2.3888 2.3897 2.3897 2.5006 2.5006 5.9720 5.9720 6.3072 6.3072 10.3686 10.3686 10.3769 10.3769 k = 0.5000 0.5000 0.0124 ( 10300 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7190 -41.7190 -41.7190 -41.7190 -41.6986 -41.6986 -41.6986 -41.6986 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5706 -7.5706 -7.5517 -7.5517 1.5295 1.5295 1.5326 1.5326 2.1739 2.1739 2.3881 2.3881 2.3890 2.3890 2.4989 2.4989 5.9748 5.9748 6.3114 6.3114 10.3674 10.3674 10.3756 10.3756 k = 0.5000 0.5000 0.0248 ( 10284 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7189 -41.7189 -41.7189 -41.7189 -41.6987 -41.6987 -41.6987 -41.6987 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5704 -7.5704 -7.5518 -7.5518 1.5308 1.5308 1.5339 1.5339 2.1724 2.1724 2.3862 2.3862 2.3871 2.3871 2.4938 2.4938 5.9831 5.9831 6.3240 6.3240 10.3636 10.3636 10.3718 10.3718 k = 0.5000 0.5000 0.0373 ( 10304 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7189 -41.7189 -41.7189 -41.7189 -41.6988 -41.6988 -41.6988 -41.6988 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5700 -7.5700 -7.5518 -7.5518 1.5330 1.5330 1.5361 1.5361 2.1698 2.1698 2.3830 2.3830 2.3839 2.3839 2.4854 2.4854 5.9969 5.9969 6.3448 6.3448 10.3576 10.3576 10.3658 10.3658 k = 0.5000 0.5000 0.0497 ( 10316 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7188 -41.7188 -41.7188 -41.7188 -41.6989 -41.6989 -41.6989 -41.6989 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5694 -7.5694 -7.5519 -7.5519 1.5360 1.5360 1.5391 1.5391 2.1662 2.1662 2.3785 2.3785 2.3794 2.3794 2.4740 2.4740 6.0161 6.0161 6.3737 6.3737 10.3500 10.3500 10.3581 10.3581 k = 0.5000 0.5000 0.0621 ( 10328 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7187 -41.7187 -41.7187 -41.7187 -41.6990 -41.6990 -41.6990 -41.6990 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5687 -7.5687 -7.5519 -7.5519 1.5398 1.5398 1.5430 1.5430 2.1618 2.1618 2.3727 2.3727 2.3736 2.3736 2.4596 2.4596 6.0407 6.0407 6.4105 6.4105 10.3411 10.3411 10.3491 10.3491 k = 0.5000 0.5000 0.0745 ( 10316 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7185 -41.7185 -41.7185 -41.7185 -41.6992 -41.6992 -41.6992 -41.6992 -20.6624 -20.6624 -20.4914 -20.4914 -20.4772 -20.4772 -7.5678 -7.5678 -7.5520 -7.5520 1.5445 1.5445 1.5477 1.5477 2.1565 2.1565 2.3658 2.3658 2.3667 2.3667 2.4426 2.4426 6.0706 6.0706 6.4549 6.4549 10.3314 10.3314 10.3394 10.3394 k = 0.5000 0.5000 0.0869 ( 10324 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7183 -41.7183 -41.7183 -41.7183 -41.6994 -41.6994 -41.6994 -41.6994 -20.6624 -20.6624 -20.4914 -20.4914 -20.4773 -20.4773 -7.5668 -7.5668 -7.5521 -7.5521 1.5500 1.5500 1.5532 1.5532 2.1504 2.1504 2.3577 2.3577 2.3586 2.3586 2.4233 2.4233 6.1057 6.1057 6.5066 6.5066 10.2772 10.2772 10.3214 10.3214 k = 0.5000 0.5000 0.0994 ( 10328 PWs) bands (ev): -48.5777 -48.5777 -42.8973 -42.8973 -41.7181 -41.7181 -41.7181 -41.7181 -41.6996 -41.6996 -41.6996 -41.6996 -20.6624 -20.6624 -20.4914 -20.4914 -20.4773 -20.4773 -7.5657 -7.5657 -7.5522 -7.5522 1.5562 1.5562 1.5595 1.5595 2.1436 2.1436 2.3485 2.3485 2.3494 2.3494 2.4020 2.4020 6.1458 6.1458 6.5651 6.5651 10.2097 10.2097 10.3114 10.3114 k = 0.5000 0.5000 0.1118 ( 10320 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7178 -41.7178 -41.7178 -41.7178 -41.6998 -41.6998 -41.6998 -41.6998 -20.6624 -20.6624 -20.4914 -20.4914 -20.4773 -20.4773 -7.5645 -7.5645 -7.5523 -7.5523 1.5632 1.5632 1.5665 1.5665 2.1363 2.1363 2.3382 2.3382 2.3391 2.3391 2.3791 2.3791 6.1908 6.1908 6.6302 6.6302 10.1353 10.1353 10.3017 10.3017 k = 0.5000 0.5000 0.1242 ( 10312 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7176 -41.7176 -41.7176 -41.7176 -41.7001 -41.7001 -41.7001 -41.7001 -20.6624 -20.6624 -20.4914 -20.4914 -20.4773 -20.4773 -7.5632 -7.5632 -7.5525 -7.5525 1.5710 1.5710 1.5743 1.5743 2.1285 2.1285 2.3270 2.3270 2.3278 2.3278 2.3550 2.3550 6.2406 6.2406 6.7015 6.7015 10.0547 10.0547 10.2923 10.2923 k = 0.5000 0.5000 0.1366 ( 10320 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7173 -41.7173 -41.7173 -41.7173 -41.7004 -41.7004 -41.7004 -41.7004 -20.6625 -20.6625 -20.4914 -20.4914 -20.4774 -20.4774 -7.5618 -7.5618 -7.5526 -7.5526 1.5795 1.5795 1.5829 1.5829 2.1203 2.1203 2.3149 2.3149 2.3153 2.3153 2.3302 2.3302 6.2949 6.2949 6.7786 6.7786 9.9683 9.9683 10.2836 10.2836 k = 0.5000 0.5000 0.1490 ( 10296 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7169 -41.7169 -41.7169 -41.7169 -41.7007 -41.7007 -41.7007 -41.7007 -20.6625 -20.6625 -20.4914 -20.4914 -20.4774 -20.4774 -7.5603 -7.5603 -7.5528 -7.5528 1.5886 1.5886 1.5921 1.5921 2.1118 2.1118 2.2999 2.2999 2.3020 2.3020 2.3069 2.3069 6.3537 6.3537 6.8611 6.8611 9.8770 9.8770 10.2754 10.2754 k = 0.5000 0.5000 0.1615 ( 10304 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7166 -41.7166 -41.7166 -41.7166 -41.7011 -41.7011 -41.7011 -41.7011 -20.6625 -20.6625 -20.4914 -20.4914 -20.4775 -20.4775 -7.5588 -7.5588 -7.5529 -7.5529 1.5983 1.5983 1.6019 1.6019 2.1032 2.1032 2.2765 2.2765 2.2883 2.2883 2.2906 2.2906 6.4168 6.4168 6.9487 6.9487 9.7812 9.7812 10.2680 10.2680 k = 0.5000 0.5000 0.1739 ( 10308 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7162 -41.7162 -41.7162 -41.7162 -41.7014 -41.7014 -41.7014 -41.7014 -20.6625 -20.6625 -20.4914 -20.4914 -20.4775 -20.4775 -7.5573 -7.5573 -7.5531 -7.5531 1.6087 1.6087 1.6123 1.6123 2.0945 2.0945 2.2509 2.2509 2.2740 2.2740 2.2760 2.2760 6.4838 6.4838 7.0409 7.0409 9.6815 9.6815 10.2613 10.2613 k = 0.5000 0.5000 0.1863 ( 10308 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7158 -41.7158 -41.7158 -41.7158 -41.7018 -41.7018 -41.7018 -41.7018 -20.6625 -20.6625 -20.4914 -20.4914 -20.4775 -20.4775 -7.5557 -7.5557 -7.5532 -7.5532 1.6195 1.6195 1.6231 1.6231 2.0859 2.0859 2.2253 2.2253 2.2592 2.2592 2.2611 2.2611 6.5547 6.5547 7.1374 7.1374 9.5786 9.5786 10.2552 10.2552 k = 0.5000 0.5000 0.1987 ( 10316 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7154 -41.7154 -41.7154 -41.7154 -41.7022 -41.7022 -41.7022 -41.7022 -20.6625 -20.6625 -20.4914 -20.4914 -20.4776 -20.4776 -7.5542 -7.5542 -7.5534 -7.5534 1.6307 1.6307 1.6345 1.6345 2.0774 2.0774 2.2003 2.2003 2.2440 2.2440 2.2459 2.2459 6.6293 6.6293 7.2378 7.2378 9.4730 9.4730 10.2499 10.2499 k = 0.5000 0.5000 0.2111 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7150 -41.7150 -41.7150 -41.7150 -41.7027 -41.7027 -41.7027 -41.7027 -20.6625 -20.6625 -20.4914 -20.4914 -20.4776 -20.4776 -7.5535 -7.5535 -7.5527 -7.5527 1.6423 1.6423 1.6462 1.6462 2.0691 2.0691 2.1762 2.1762 2.2285 2.2285 2.2305 2.2305 6.7072 6.7072 7.3418 7.3418 9.3652 9.3652 10.2452 10.2452 k = 0.5000 0.5000 0.2236 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7146 -41.7146 -41.7146 -41.7146 -41.7031 -41.7031 -41.7031 -41.7031 -20.6626 -20.6626 -20.4914 -20.4914 -20.4776 -20.4776 -7.5537 -7.5537 -7.5512 -7.5512 1.6541 1.6541 1.6581 1.6581 2.0612 2.0612 2.1531 2.1531 2.2129 2.2129 2.2149 2.2149 6.7883 6.7883 7.4491 7.4491 9.2558 9.2558 10.2410 10.2410 k = 0.5000 0.5000 0.2360 ( 10304 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7141 -41.7141 -41.7141 -41.7141 -41.7036 -41.7036 -41.7036 -41.7036 -20.6626 -20.6626 -20.4914 -20.4914 -20.4777 -20.4777 -7.5538 -7.5538 -7.5498 -7.5498 1.6660 1.6660 1.6702 1.6702 2.0536 2.0536 2.1314 2.1314 2.1973 2.1973 2.1994 2.1994 6.8721 6.8721 7.5593 7.5593 9.1452 9.1452 10.2361 10.2362 k = 0.5000 0.5000 0.2484 ( 10308 PWs) bands (ev): -48.5776 -48.5776 -42.8972 -42.8972 -41.7136 -41.7136 -41.7136 -41.7136 -41.7041 -41.7041 -41.7041 -41.7041 -20.6626 -20.6626 -20.4914 -20.4914 -20.4777 -20.4777 -7.5539 -7.5539 -7.5485 -7.5485 1.6780 1.6780 1.6823 1.6823 2.0466 2.0466 2.1112 2.1112 2.1819 2.1819 2.1842 2.1842 6.9585 6.9585 7.6718 7.6718 9.0341 9.0341 10.1175 10.1175 k = 0.5000 0.5000 0.2608 ( 10308 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7131 -41.7131 -41.7131 -41.7131 -41.7046 -41.7046 -41.7046 -41.7046 -20.6626 -20.6626 -20.4914 -20.4914 -20.4777 -20.4777 -7.5540 -7.5540 -7.5473 -7.5473 1.6897 1.6897 1.6942 1.6942 2.0401 2.0401 2.0926 2.0926 2.1669 2.1669 2.1693 2.1693 7.0469 7.0469 7.7864 7.7864 8.9231 8.9231 9.9865 9.9865 k = 0.5000 0.5000 0.2732 ( 10308 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7126 -41.7126 -41.7126 -41.7126 -41.7051 -41.7051 -41.7051 -41.7051 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5542 -7.5542 -7.5461 -7.5461 1.7010 1.7010 1.7057 1.7057 2.0343 2.0343 2.0759 2.0759 2.1526 2.1526 2.1552 2.1552 7.1368 7.1368 7.9024 7.9024 8.8129 8.8129 9.8558 9.8558 k = 0.5000 0.5000 0.2857 ( 10308 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7121 -41.7121 -41.7121 -41.7121 -41.7056 -41.7056 -41.7056 -41.7056 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5543 -7.5543 -7.5451 -7.5451 1.7118 1.7118 1.7167 1.7167 2.0291 2.0291 2.0612 2.0612 2.1392 2.1392 2.1419 2.1419 7.2273 7.2273 8.0191 8.0191 8.7045 8.7045 9.7262 9.7262 k = 0.5000 0.5000 0.2981 ( 10324 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7116 -41.7116 -41.7116 -41.7116 -41.7061 -41.7061 -41.7061 -41.7061 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5543 -7.5543 -7.5443 -7.5443 1.7216 1.7216 1.7267 1.7267 2.0246 2.0246 2.0485 2.0485 2.1270 2.1270 2.1299 2.1299 7.3174 7.3174 8.1354 8.1354 8.5990 8.5990 9.5990 9.5990 k = 0.5000 0.5000 0.3105 ( 10324 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7110 -41.7110 -41.7110 -41.7110 -41.7066 -41.7066 -41.7066 -41.7066 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5544 -7.5544 -7.5435 -7.5435 1.7303 1.7303 1.7356 1.7356 2.0208 2.0208 2.0380 2.0380 2.1163 2.1163 2.1194 2.1194 7.4052 7.4052 8.2496 8.2496 8.4986 8.4986 9.4760 9.4760 k = 0.5000 0.5000 0.3229 ( 10324 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7105 -41.7105 -41.7105 -41.7105 -41.7072 -41.7072 -41.7072 -41.7072 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5545 -7.5545 -7.5430 -7.5430 1.7375 1.7375 1.7430 1.7430 2.0179 2.0179 2.0298 2.0298 2.1075 2.1075 2.1108 2.1108 7.4875 7.4875 8.3583 8.3583 8.4064 8.4064 9.3602 9.3602 k = 0.5000 0.5000 0.3354 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7100 -41.7100 -41.7100 -41.7100 -41.7077 -41.7077 -41.7077 -41.7077 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5545 -7.5545 -7.5426 -7.5426 1.7429 1.7429 1.7485 1.7485 2.0158 2.0158 2.0239 2.0239 2.1010 2.1010 2.1043 2.1043 7.5587 7.5587 8.3279 8.3279 8.4554 8.4554 9.2581 9.2581 k = 0.5000 0.5000 0.3478 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7095 -41.7095 -41.7095 -41.7095 -41.7082 -41.7082 -41.7082 -41.7082 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5545 -7.5545 -7.5423 -7.5423 1.7463 1.7463 1.7520 1.7520 2.0145 2.0145 2.0203 2.0203 2.0969 2.0969 2.1003 2.1003 7.6098 7.6098 8.2726 8.2726 8.5281 8.5281 9.1823 9.1823 k = 0.5000 0.5000 0.3602 ( 10328 PWs) bands (ev): -48.5776 -48.5776 -42.8973 -42.8973 -41.7091 -41.7091 -41.7091 -41.7091 -41.7086 -41.7086 -41.7086 -41.7086 -20.6626 -20.6626 -20.4914 -20.4914 -20.4778 -20.4778 -7.5545 -7.5545 -7.5422 -7.5422 1.7474 1.7474 1.7532 1.7532 2.0141 2.0141 2.0191 2.0191 2.0955 2.0955 2.0990 2.0990 7.6289 7.6289 8.2520 8.2520 8.5566 8.5566 9.1529 9.1529 Writing output data file NaLi5N2.save init_run : 0.19s CPU 0.30s WALL ( 1 calls) electrons : 193.68s CPU 196.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 193.67s CPU 196.29s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.13s WALL ( 370 calls) cegterg : 170.02s CPU 171.72s WALL ( 607 calls) Called by sum_band: Called by *egterg: h_psi : 115.24s CPU 116.50s WALL ( 9417 calls) s_psi : 4.38s CPU 4.45s WALL ( 9417 calls) g_psi : 0.40s CPU 0.48s WALL ( 8440 calls) cdiaghg : 42.60s CPU 42.94s WALL ( 8810 calls) cegterg:over : 8.91s CPU 8.94s WALL ( 8440 calls) cegterg:upda : 9.42s CPU 9.57s WALL ( 8440 calls) cegterg:last : 4.45s CPU 4.47s WALL ( 1347 calls) cdiaghg:chol : 2.65s CPU 2.51s WALL ( 8810 calls) cdiaghg:inve : 1.24s CPU 1.25s WALL ( 8810 calls) cdiaghg:para : 2.35s CPU 2.45s WALL ( 17620 calls) Called by h_psi: h_psi:vloc : 103.73s CPU 104.83s WALL ( 9417 calls) h_psi:vnl : 11.06s CPU 11.15s WALL ( 9417 calls) add_vuspsi : 4.44s CPU 4.54s WALL ( 9417 calls) General routines calbec : 6.60s CPU 6.58s WALL ( 9417 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 98.34s CPU 99.62s WALL ( 724892 calls) davcio : 0.28s CPU 0.41s WALL ( 740 calls) Parallel routines fft_scatter : 34.14s CPU 34.46s WALL ( 724907 calls) PWSCF : 3m39.28s CPU 3m55.35s WALL This run was terminated on: 19:56:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=