Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 15: 7:25 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CsNaSe.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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 31 8 1851 1813 264 Max 32 32 9 1864 1834 275 Sum 2289 2249 633 133735 131183 19383 bravais-lattice index = 14 lattice parameter (alat) = 9.4297 a.u. unit-cell volume = 1358.8923 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.429733 celldm(2)= 1.000000 celldm(3)= 1.620641 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 1.620641 ) 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 0.617040 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Na 9.00 22.98980 Na( 1.00) Cs 9.00 132.90550 Cs( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0034843 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0034843 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0034843 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0034843 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0034843 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0034843 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0034843 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0034843 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034843 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0034843 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0034843 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0034843 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0034843 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0034843 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0034843 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0034843 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0034843 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0034843 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0034843 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0034843 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0034843 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0034843 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0034843 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0034843 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0034843 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0034843 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0034843 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0034843 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0034843 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0034843 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0034843 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0034843 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0034843 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0034843 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0034843 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0034843 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0034843 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0034843 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0034843 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034843 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0034843 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0034843 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0034843 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0034843 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0034843 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0034843 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0034843 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0034843 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0034843 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0034843 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0034843 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0034843 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0034843 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0034843 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 68) = ( 0.4888889 0.4888889 -0.0000000), wk = 0.0034843 k( 69) = ( 0.4777778 0.4777778 -0.0000000), wk = 0.0034843 k( 70) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0034843 k( 71) = ( 0.4555556 0.4555556 -0.0000000), wk = 0.0034843 k( 72) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034843 k( 73) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0034843 k( 74) = ( 0.4222222 0.4222222 -0.0000000), wk = 0.0034843 k( 75) = ( 0.4111111 0.4111111 -0.0000000), wk = 0.0034843 k( 76) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0034843 k( 77) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0034843 k( 78) = ( 0.3777778 0.3777778 -0.0000000), wk = 0.0034843 k( 79) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0034843 k( 80) = ( 0.3555556 0.3555556 -0.0000000), wk = 0.0034843 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0034843 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 83) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0034843 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0034843 k( 85) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0034843 k( 86) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0034843 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034843 k( 88) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0034843 k( 89) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0034843 k( 90) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0034843 k( 91) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0034843 k( 92) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034843 k( 93) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0034843 k( 94) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0034843 k( 95) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0034843 k( 96) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0034843 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034843 k( 98) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0034843 k( 99) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0034843 k( 100) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0034843 k( 101) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0034843 k( 102) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034843 k( 103) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0034843 k( 104) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0034843 k( 105) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0034843 k( 106) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0034843 k( 107) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034843 k( 108) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0034843 k( 109) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0034843 k( 110) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0034843 k( 111) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0034843 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 114) = ( 0.0000000 0.0000000 0.0154260), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.0308520), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0462780), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0617040), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.0771300), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.0925560), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.1079819), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.1234079), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.1388339), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.1542599), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.1696859), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.1851119), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.2005379), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.2159639), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.2313899), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.2468159), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.2622419), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.2776679), wk = 0.0034843 k( 132) = ( 0.0000000 0.0000000 0.2930939), wk = 0.0034843 k( 133) = ( 0.0000000 0.0000000 0.3085198), wk = 0.0034843 k( 134) = ( 0.0000000 0.0000000 0.3085198), wk = 0.0034843 k( 135) = ( 0.0000000 0.0156250 0.3085198), wk = 0.0034843 k( 136) = ( 0.0000000 0.0312500 0.3085198), wk = 0.0034843 k( 137) = ( 0.0000000 0.0468750 0.3085198), wk = 0.0034843 k( 138) = ( 0.0000000 0.0625000 0.3085198), wk = 0.0034843 k( 139) = ( 0.0000000 0.0781250 0.3085198), wk = 0.0034843 k( 140) = ( 0.0000000 0.0937500 0.3085198), wk = 0.0034843 k( 141) = ( 0.0000000 0.1093750 0.3085198), wk = 0.0034843 k( 142) = ( 0.0000000 0.1250000 0.3085198), wk = 0.0034843 k( 143) = ( 0.0000000 0.1406250 0.3085198), wk = 0.0034843 k( 144) = ( 0.0000000 0.1562500 0.3085198), wk = 0.0034843 k( 145) = ( 0.0000000 0.1718750 0.3085198), wk = 0.0034843 k( 146) = ( 0.0000000 0.1875000 0.3085198), wk = 0.0034843 k( 147) = ( 0.0000000 0.2031250 0.3085198), wk = 0.0034843 k( 148) = ( 0.0000000 0.2187500 0.3085198), wk = 0.0034843 k( 149) = ( 0.0000000 0.2343750 0.3085198), wk = 0.0034843 k( 150) = ( 0.0000000 0.2500000 0.3085198), wk = 0.0034843 k( 151) = ( 0.0000000 0.2656250 0.3085198), wk = 0.0034843 k( 152) = ( 0.0000000 0.2812500 0.3085198), wk = 0.0034843 k( 153) = ( 0.0000000 0.2968750 0.3085198), wk = 0.0034843 k( 154) = ( 0.0000000 0.3125000 0.3085198), wk = 0.0034843 k( 155) = ( 0.0000000 0.3281250 0.3085198), wk = 0.0034843 k( 156) = ( 0.0000000 0.3437500 0.3085198), wk = 0.0034843 k( 157) = ( 0.0000000 0.3593750 0.3085198), wk = 0.0034843 k( 158) = ( 0.0000000 0.3750000 0.3085198), wk = 0.0034843 k( 159) = ( 0.0000000 0.3906250 0.3085198), wk = 0.0034843 k( 160) = ( 0.0000000 0.4062500 0.3085198), wk = 0.0034843 k( 161) = ( 0.0000000 0.4218750 0.3085198), wk = 0.0034843 k( 162) = ( 0.0000000 0.4375000 0.3085198), wk = 0.0034843 k( 163) = ( 0.0000000 0.4531250 0.3085198), wk = 0.0034843 k( 164) = ( 0.0000000 0.4687500 0.3085198), wk = 0.0034843 k( 165) = ( 0.0000000 0.4843750 0.3085198), wk = 0.0034843 k( 166) = ( 0.0000000 0.5000000 0.3085198), wk = 0.0034843 k( 167) = ( 0.0000000 0.5000000 0.3085198), wk = 0.0034843 k( 168) = ( 0.0156250 0.5000000 0.3085198), wk = 0.0034843 k( 169) = ( 0.0312500 0.5000000 0.3085198), wk = 0.0034843 k( 170) = ( 0.0468750 0.5000000 0.3085198), wk = 0.0034843 k( 171) = ( 0.0625000 0.5000000 0.3085198), wk = 0.0034843 k( 172) = ( 0.0781250 0.5000000 0.3085198), wk = 0.0034843 k( 173) = ( 0.0937500 0.5000000 0.3085198), wk = 0.0034843 k( 174) = ( 0.1093750 0.5000000 0.3085198), wk = 0.0034843 k( 175) = ( 0.1250000 0.5000000 0.3085198), wk = 0.0034843 k( 176) = ( 0.1406250 0.5000000 0.3085198), wk = 0.0034843 k( 177) = ( 0.1562500 0.5000000 0.3085198), wk = 0.0034843 k( 178) = ( 0.1718750 0.5000000 0.3085198), wk = 0.0034843 k( 179) = ( 0.1875000 0.5000000 0.3085198), wk = 0.0034843 k( 180) = ( 0.2031250 0.5000000 0.3085198), wk = 0.0034843 k( 181) = ( 0.2187500 0.5000000 0.3085198), wk = 0.0034843 k( 182) = ( 0.2343750 0.5000000 0.3085198), wk = 0.0034843 k( 183) = ( 0.2500000 0.5000000 0.3085198), wk = 0.0034843 k( 184) = ( 0.2656250 0.5000000 0.3085198), wk = 0.0034843 k( 185) = ( 0.2812500 0.5000000 0.3085198), wk = 0.0034843 k( 186) = ( 0.2968750 0.5000000 0.3085198), wk = 0.0034843 k( 187) = ( 0.3125000 0.5000000 0.3085198), wk = 0.0034843 k( 188) = ( 0.3281250 0.5000000 0.3085198), wk = 0.0034843 k( 189) = ( 0.3437500 0.5000000 0.3085198), wk = 0.0034843 k( 190) = ( 0.3593750 0.5000000 0.3085198), wk = 0.0034843 k( 191) = ( 0.3750000 0.5000000 0.3085198), wk = 0.0034843 k( 192) = ( 0.3906250 0.5000000 0.3085198), wk = 0.0034843 k( 193) = ( 0.4062500 0.5000000 0.3085198), wk = 0.0034843 k( 194) = ( 0.4218750 0.5000000 0.3085198), wk = 0.0034843 k( 195) = ( 0.4375000 0.5000000 0.3085198), wk = 0.0034843 k( 196) = ( 0.4531250 0.5000000 0.3085198), wk = 0.0034843 k( 197) = ( 0.4687500 0.5000000 0.3085198), wk = 0.0034843 k( 198) = ( 0.4843750 0.5000000 0.3085198), wk = 0.0034843 k( 199) = ( 0.5000000 0.5000000 0.3085198), wk = 0.0034843 k( 200) = ( 0.5000000 0.5000000 0.3085198), wk = 0.0034843 k( 201) = ( 0.4888889 0.4888889 0.3085198), wk = 0.0034843 k( 202) = ( 0.4777778 0.4777778 0.3085198), wk = 0.0034843 k( 203) = ( 0.4666667 0.4666667 0.3085198), wk = 0.0034843 k( 204) = ( 0.4555556 0.4555556 0.3085198), wk = 0.0034843 k( 205) = ( 0.4444444 0.4444444 0.3085198), wk = 0.0034843 k( 206) = ( 0.4333333 0.4333333 0.3085198), wk = 0.0034843 k( 207) = ( 0.4222222 0.4222222 0.3085198), wk = 0.0034843 k( 208) = ( 0.4111111 0.4111111 0.3085198), wk = 0.0034843 k( 209) = ( 0.4000000 0.4000000 0.3085198), wk = 0.0034843 k( 210) = ( 0.3888889 0.3888889 0.3085198), wk = 0.0034843 k( 211) = ( 0.3777778 0.3777778 0.3085198), wk = 0.0034843 k( 212) = ( 0.3666667 0.3666667 0.3085198), wk = 0.0034843 k( 213) = ( 0.3555556 0.3555556 0.3085198), wk = 0.0034843 k( 214) = ( 0.3444444 0.3444444 0.3085198), wk = 0.0034843 k( 215) = ( 0.3333333 0.3333333 0.3085198), wk = 0.0034843 k( 216) = ( 0.3222222 0.3222222 0.3085198), wk = 0.0034843 k( 217) = ( 0.3111111 0.3111111 0.3085198), wk = 0.0034843 k( 218) = ( 0.3000000 0.3000000 0.3085198), wk = 0.0034843 k( 219) = ( 0.2888889 0.2888889 0.3085198), wk = 0.0034843 k( 220) = ( 0.2777778 0.2777778 0.3085198), wk = 0.0034843 k( 221) = ( 0.2666667 0.2666667 0.3085198), wk = 0.0034843 k( 222) = ( 0.2555556 0.2555556 0.3085198), wk = 0.0034843 k( 223) = ( 0.2444444 0.2444444 0.3085198), wk = 0.0034843 k( 224) = ( 0.2333333 0.2333333 0.3085198), wk = 0.0034843 k( 225) = ( 0.2222222 0.2222222 0.3085198), wk = 0.0034843 k( 226) = ( 0.2111111 0.2111111 0.3085198), wk = 0.0034843 k( 227) = ( 0.2000000 0.2000000 0.3085198), wk = 0.0034843 k( 228) = ( 0.1888889 0.1888889 0.3085198), wk = 0.0034843 k( 229) = ( 0.1777778 0.1777778 0.3085198), wk = 0.0034843 k( 230) = ( 0.1666667 0.1666667 0.3085198), wk = 0.0034843 k( 231) = ( 0.1555556 0.1555556 0.3085198), wk = 0.0034843 k( 232) = ( 0.1444444 0.1444444 0.3085198), wk = 0.0034843 k( 233) = ( 0.1333333 0.1333333 0.3085198), wk = 0.0034843 k( 234) = ( 0.1222222 0.1222222 0.3085198), wk = 0.0034843 k( 235) = ( 0.1111111 0.1111111 0.3085198), wk = 0.0034843 k( 236) = ( 0.1000000 0.1000000 0.3085198), wk = 0.0034843 k( 237) = ( 0.0888889 0.0888889 0.3085198), wk = 0.0034843 k( 238) = ( 0.0777778 0.0777778 0.3085198), wk = 0.0034843 k( 239) = ( 0.0666667 0.0666667 0.3085198), wk = 0.0034843 k( 240) = ( 0.0555556 0.0555556 0.3085198), wk = 0.0034843 k( 241) = ( 0.0444444 0.0444444 0.3085198), wk = 0.0034843 k( 242) = ( 0.0333333 0.0333333 0.3085198), wk = 0.0034843 k( 243) = ( 0.0222222 0.0222222 0.3085198), wk = 0.0034843 k( 244) = ( 0.0111111 0.0111111 0.3085198), wk = 0.0034843 k( 245) = ( 0.0000000 0.0000000 0.3085198), wk = 0.0034843 k( 246) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 247) = ( 0.0000000 0.5000000 0.0154260), wk = 0.0034843 k( 248) = ( 0.0000000 0.5000000 0.0308520), wk = 0.0034843 k( 249) = ( 0.0000000 0.5000000 0.0462780), wk = 0.0034843 k( 250) = ( 0.0000000 0.5000000 0.0617040), wk = 0.0034843 k( 251) = ( 0.0000000 0.5000000 0.0771300), wk = 0.0034843 k( 252) = ( 0.0000000 0.5000000 0.0925560), wk = 0.0034843 k( 253) = ( 0.0000000 0.5000000 0.1079819), wk = 0.0034843 k( 254) = ( 0.0000000 0.5000000 0.1234079), wk = 0.0034843 k( 255) = ( 0.0000000 0.5000000 0.1388339), wk = 0.0034843 k( 256) = ( 0.0000000 0.5000000 0.1542599), wk = 0.0034843 k( 257) = ( 0.0000000 0.5000000 0.1696859), wk = 0.0034843 k( 258) = ( 0.0000000 0.5000000 0.1851119), wk = 0.0034843 k( 259) = ( 0.0000000 0.5000000 0.2005379), wk = 0.0034843 k( 260) = ( 0.0000000 0.5000000 0.2159639), wk = 0.0034843 k( 261) = ( 0.0000000 0.5000000 0.2313899), wk = 0.0034843 k( 262) = ( 0.0000000 0.5000000 0.2468159), wk = 0.0034843 k( 263) = ( 0.0000000 0.5000000 0.2622419), wk = 0.0034843 k( 264) = ( 0.0000000 0.5000000 0.2776679), wk = 0.0034843 k( 265) = ( 0.0000000 0.5000000 0.2930939), wk = 0.0034843 k( 266) = ( 0.0000000 0.5000000 0.3085198), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.0154260), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 0.0308520), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 0.0462780), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 0.0617040), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.0771300), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 0.0925560), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 0.1079819), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 0.1234079), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 0.1388339), wk = 0.0034843 k( 277) = ( 0.5000000 0.5000000 0.1542599), wk = 0.0034843 k( 278) = ( 0.5000000 0.5000000 0.1696859), wk = 0.0034843 k( 279) = ( 0.5000000 0.5000000 0.1851119), wk = 0.0034843 k( 280) = ( 0.5000000 0.5000000 0.2005379), wk = 0.0034843 k( 281) = ( 0.5000000 0.5000000 0.2159639), wk = 0.0034843 k( 282) = ( 0.5000000 0.5000000 0.2313899), wk = 0.0034843 k( 283) = ( 0.5000000 0.5000000 0.2468159), wk = 0.0034843 k( 284) = ( 0.5000000 0.5000000 0.2622419), wk = 0.0034843 k( 285) = ( 0.5000000 0.5000000 0.2776679), wk = 0.0034843 k( 286) = ( 0.5000000 0.5000000 0.2930939), wk = 0.0034843 k( 287) = ( 0.5000000 0.5000000 0.3085198), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0034843 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0034843 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0034843 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0034843 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0034843 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0034843 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0034843 k( 15) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0034843 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0034843 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034843 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0034843 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0034843 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0034843 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0034843 k( 22) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0034843 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0034843 k( 24) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0034843 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0034843 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0034843 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0034843 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0034843 k( 29) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0034843 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0034843 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0034843 k( 32) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0034843 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0034843 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0034843 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0034843 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0034843 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0034843 k( 40) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0034843 k( 41) = ( 0.1093750 0.5000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0034843 k( 43) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0034843 k( 44) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0034843 k( 45) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0034843 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0034843 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0034843 k( 48) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0034843 k( 49) = ( 0.2343750 0.5000000 0.0000000), wk = 0.0034843 k( 50) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034843 k( 51) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0034843 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0034843 k( 53) = ( 0.2968750 0.5000000 0.0000000), wk = 0.0034843 k( 54) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0034843 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0034843 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0034843 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0034843 k( 58) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0034843 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0034843 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0034843 k( 61) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0034843 k( 62) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0034843 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0034843 k( 64) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0034843 k( 65) = ( 0.4843750 0.5000000 0.0000000), wk = 0.0034843 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 68) = ( 0.4888889 0.4888889 0.0000000), wk = 0.0034843 k( 69) = ( 0.4777778 0.4777778 -0.0000000), wk = 0.0034843 k( 70) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0034843 k( 71) = ( 0.4555556 0.4555556 0.0000000), wk = 0.0034843 k( 72) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034843 k( 73) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0034843 k( 74) = ( 0.4222222 0.4222222 -0.0000000), wk = 0.0034843 k( 75) = ( 0.4111111 0.4111111 0.0000000), wk = 0.0034843 k( 76) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0034843 k( 77) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0034843 k( 78) = ( 0.3777778 0.3777778 0.0000000), wk = 0.0034843 k( 79) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0034843 k( 80) = ( 0.3555556 0.3555556 -0.0000000), wk = 0.0034843 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0034843 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034843 k( 83) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0034843 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0034843 k( 85) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0034843 k( 86) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0034843 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034843 k( 88) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0034843 k( 89) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0034843 k( 90) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0034843 k( 91) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0034843 k( 92) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034843 k( 93) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0034843 k( 94) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0034843 k( 95) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0034843 k( 96) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0034843 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034843 k( 98) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0034843 k( 99) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0034843 k( 100) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0034843 k( 101) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0034843 k( 102) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034843 k( 103) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0034843 k( 104) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0034843 k( 105) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0034843 k( 106) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0034843 k( 107) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034843 k( 108) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0034843 k( 109) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0034843 k( 110) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0034843 k( 111) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0034843 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 114) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034843 k( 132) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0034843 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 135) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0034843 k( 136) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0034843 k( 137) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0034843 k( 138) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0034843 k( 139) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0034843 k( 140) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0034843 k( 141) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0034843 k( 142) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0034843 k( 143) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0034843 k( 144) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0034843 k( 145) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0034843 k( 146) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0034843 k( 147) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0034843 k( 148) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0034843 k( 149) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0034843 k( 150) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0034843 k( 151) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0034843 k( 152) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0034843 k( 153) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0034843 k( 154) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0034843 k( 155) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0034843 k( 156) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0034843 k( 157) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0034843 k( 158) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0034843 k( 159) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0034843 k( 160) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0034843 k( 161) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0034843 k( 162) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0034843 k( 163) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0034843 k( 164) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0034843 k( 165) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0034843 k( 166) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034843 k( 167) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034843 k( 168) = ( 0.0156250 0.5000000 0.5000000), wk = 0.0034843 k( 169) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0034843 k( 170) = ( 0.0468750 0.5000000 0.5000000), wk = 0.0034843 k( 171) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0034843 k( 172) = ( 0.0781250 0.5000000 0.5000000), wk = 0.0034843 k( 173) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0034843 k( 174) = ( 0.1093750 0.5000000 0.5000000), wk = 0.0034843 k( 175) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0034843 k( 176) = ( 0.1406250 0.5000000 0.5000000), wk = 0.0034843 k( 177) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0034843 k( 178) = ( 0.1718750 0.5000000 0.5000000), wk = 0.0034843 k( 179) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0034843 k( 180) = ( 0.2031250 0.5000000 0.5000000), wk = 0.0034843 k( 181) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0034843 k( 182) = ( 0.2343750 0.5000000 0.5000000), wk = 0.0034843 k( 183) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0034843 k( 184) = ( 0.2656250 0.5000000 0.5000000), wk = 0.0034843 k( 185) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0034843 k( 186) = ( 0.2968750 0.5000000 0.5000000), wk = 0.0034843 k( 187) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0034843 k( 188) = ( 0.3281250 0.5000000 0.5000000), wk = 0.0034843 k( 189) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0034843 k( 190) = ( 0.3593750 0.5000000 0.5000000), wk = 0.0034843 k( 191) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0034843 k( 192) = ( 0.3906250 0.5000000 0.5000000), wk = 0.0034843 k( 193) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0034843 k( 194) = ( 0.4218750 0.5000000 0.5000000), wk = 0.0034843 k( 195) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0034843 k( 196) = ( 0.4531250 0.5000000 0.5000000), wk = 0.0034843 k( 197) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0034843 k( 198) = ( 0.4843750 0.5000000 0.5000000), wk = 0.0034843 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 201) = ( 0.4888889 0.4888889 0.5000000), wk = 0.0034843 k( 202) = ( 0.4777778 0.4777778 0.5000000), wk = 0.0034843 k( 203) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0034843 k( 204) = ( 0.4555556 0.4555556 0.5000000), wk = 0.0034843 k( 205) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0034843 k( 206) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0034843 k( 207) = ( 0.4222222 0.4222222 0.5000000), wk = 0.0034843 k( 208) = ( 0.4111111 0.4111111 0.5000000), wk = 0.0034843 k( 209) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0034843 k( 210) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0034843 k( 211) = ( 0.3777778 0.3777778 0.5000000), wk = 0.0034843 k( 212) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0034843 k( 213) = ( 0.3555556 0.3555556 0.5000000), wk = 0.0034843 k( 214) = ( 0.3444444 0.3444444 0.5000000), wk = 0.0034843 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 216) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0034843 k( 217) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0034843 k( 218) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0034843 k( 219) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0034843 k( 220) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0034843 k( 221) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034843 k( 222) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0034843 k( 223) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0034843 k( 224) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0034843 k( 225) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0034843 k( 226) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0034843 k( 227) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034843 k( 228) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0034843 k( 229) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0034843 k( 230) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034843 k( 231) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0034843 k( 232) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0034843 k( 233) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034843 k( 234) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0034843 k( 235) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0034843 k( 236) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0034843 k( 237) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0034843 k( 238) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0034843 k( 239) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034843 k( 240) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0034843 k( 241) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0034843 k( 242) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0034843 k( 243) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0034843 k( 244) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0034843 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 246) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 247) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0034843 k( 248) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0034843 k( 249) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0034843 k( 250) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0034843 k( 251) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0034843 k( 252) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0034843 k( 253) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0034843 k( 254) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0034843 k( 255) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0034843 k( 256) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0034843 k( 257) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0034843 k( 258) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0034843 k( 259) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0034843 k( 260) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0034843 k( 261) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0034843 k( 262) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0034843 k( 263) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0034843 k( 264) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0034843 k( 265) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0034843 k( 266) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0034843 k( 277) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034843 k( 278) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0034843 k( 279) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0034843 k( 280) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0034843 k( 281) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0034843 k( 282) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0034843 k( 283) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0034843 k( 284) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0034843 k( 285) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0034843 k( 286) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0034843 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 Dense grid: 133735 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 131183 G-vectors FFT dimensions: ( 54, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 454, 58) NL pseudopotentials 0.62 Mb ( 227, 180) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1853) G-vector shells 0.01 Mb ( 897) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.61 Mb ( 454, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.32 Mb ( 180, 2, 58) The potential is recalculated from file : ./CsNaSe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 14.3 secs Computing kpt #: 9 total cpu time spent up to now is 15.7 secs Computing kpt #: 10 total cpu time spent up to now is 17.2 secs Computing kpt #: 11 total cpu time spent up to now is 18.8 secs Computing kpt #: 12 total cpu time spent up to now is 20.4 secs Computing kpt #: 13 total cpu time spent up to now is 21.9 secs Computing kpt #: 14 total cpu time spent up to now is 23.5 secs Computing kpt #: 15 total cpu time spent up to now is 25.1 secs Computing kpt #: 16 total cpu time spent up to now is 26.6 secs Computing kpt #: 17 total cpu time spent up to now is 28.2 secs Computing kpt #: 18 total cpu time spent up to now is 29.7 secs Computing kpt #: 19 total cpu time spent up to now is 31.4 secs Computing kpt #: 20 total cpu time spent up to now is 32.9 secs Computing kpt #: 21 total cpu time spent up to now is 34.5 secs Computing kpt #: 22 total cpu time spent up to now is 35.9 secs Computing kpt #: 23 total cpu time spent up to now is 37.5 secs Computing kpt #: 24 total cpu time spent up to now is 39.0 secs Computing kpt #: 25 total cpu time spent up to now is 40.2 secs Computing kpt #: 26 total cpu time spent up to now is 41.7 secs Computing kpt #: 27 total cpu time spent up to now is 43.2 secs Computing kpt #: 28 total cpu time spent up to now is 44.7 secs Computing kpt #: 29 total cpu time spent up to now is 46.4 secs Computing kpt #: 30 total cpu time spent up to now is 47.9 secs Computing kpt #: 31 total cpu time spent up to now is 49.3 secs Computing kpt #: 32 total cpu time spent up to now is 50.8 secs Computing kpt #: 33 total cpu time spent up to now is 52.2 secs Computing kpt #: 34 total cpu time spent up to now is 53.6 secs Computing kpt #: 35 total cpu time spent up to now is 55.1 secs Computing kpt #: 36 total cpu time spent up to now is 56.6 secs Computing kpt #: 37 total cpu time spent up to now is 58.0 secs Computing kpt #: 38 total cpu time spent up to now is 59.5 secs Computing kpt #: 39 total cpu time spent up to now is 61.0 secs Computing kpt #: 40 total cpu time spent up to now is 62.4 secs Computing kpt #: 41 total cpu time spent up to now is 63.9 secs Computing kpt #: 42 total cpu time spent up to now is 65.3 secs Computing kpt #: 43 total cpu time spent up to now is 66.7 secs Computing kpt #: 44 total cpu time spent up to now is 68.1 secs Computing kpt #: 45 total cpu time spent up to now is 69.6 secs Computing kpt #: 46 total cpu time spent up to now is 71.1 secs Computing kpt #: 47 total cpu time spent up to now is 72.6 secs Computing kpt #: 48 total cpu time spent up to now is 74.0 secs Computing kpt #: 49 total cpu time spent up to now is 75.5 secs Computing kpt #: 50 total cpu time spent up to now is 77.0 secs Computing kpt #: 51 total cpu time spent up to now is 78.6 secs Computing kpt #: 52 total cpu time spent up to now is 80.2 secs Computing kpt #: 53 total cpu time spent up to now is 81.8 secs Computing kpt #: 54 total cpu time spent up to now is 83.4 secs Computing kpt #: 55 total cpu time spent up to now is 85.0 secs Computing kpt #: 56 total cpu time spent up to now is 86.6 secs Computing kpt #: 57 total cpu time spent up to now is 88.2 secs Computing kpt #: 58 total cpu time spent up to now is 89.8 secs Computing kpt #: 59 total cpu time spent up to now is 91.4 secs Computing kpt #: 60 total cpu time spent up to now is 93.8 secs Computing kpt #: 61 total cpu time spent up to now is 96.2 secs Computing kpt #: 62 total cpu time spent up to now is 98.7 secs Computing kpt #: 63 total cpu time spent up to now is 101.6 secs Computing kpt #: 64 total cpu time spent up to now is 104.5 secs Computing kpt #: 65 total cpu time spent up to now is 107.4 secs Computing kpt #: 66 total cpu time spent up to now is 108.9 secs Computing kpt #: 67 total cpu time spent up to now is 110.3 secs Computing kpt #: 68 total cpu time spent up to now is 112.8 secs Computing kpt #: 69 total cpu time spent up to now is 115.8 secs Computing kpt #: 70 total cpu time spent up to now is 118.4 secs Computing kpt #: 71 total cpu time spent up to now is 120.0 secs Computing kpt #: 72 total cpu time spent up to now is 122.5 secs Computing kpt #: 73 total cpu time spent up to now is 124.0 secs Computing kpt #: 74 total cpu time spent up to now is 125.5 secs Computing kpt #: 75 total cpu time spent up to now is 127.0 secs Computing kpt #: 76 total cpu time spent up to now is 128.6 secs Computing kpt #: 77 total cpu time spent up to now is 130.1 secs Computing kpt #: 78 total cpu time spent up to now is 131.7 secs Computing kpt #: 79 total cpu time spent up to now is 133.5 secs Computing kpt #: 80 total cpu time spent up to now is 136.1 secs Computing kpt #: 81 total cpu time spent up to now is 137.6 secs Computing kpt #: 82 total cpu time spent up to now is 139.2 secs Computing kpt #: 83 total cpu time spent up to now is 140.7 secs Computing kpt #: 84 total cpu time spent up to now is 142.3 secs Computing kpt #: 85 total cpu time spent up to now is 144.6 secs Computing kpt #: 86 total cpu time spent up to now is 146.1 secs Computing kpt #: 87 total cpu time spent up to now is 147.6 secs Computing kpt #: 88 total cpu time spent up to now is 149.1 secs Computing kpt #: 89 total cpu time spent up to now is 150.6 secs Computing kpt #: 90 total cpu time spent up to now is 152.2 secs Computing kpt #: 91 total cpu time spent up to now is 153.7 secs Computing kpt #: 92 total cpu time spent up to now is 155.2 secs Computing kpt #: 93 total cpu time spent up to now is 156.7 secs Computing kpt #: 94 total cpu time spent up to now is 158.3 secs Computing kpt #: 95 total cpu time spent up to now is 159.9 secs Computing kpt #: 96 total cpu time spent up to now is 161.4 secs Computing kpt #: 97 total cpu time spent up to now is 162.9 secs Computing kpt #: 98 total cpu time spent up to now is 164.3 secs Computing kpt #: 99 total cpu time spent up to now is 165.9 secs Computing kpt #: 100 total cpu time spent up to now is 167.3 secs Computing kpt #: 101 total cpu time spent up to now is 168.8 secs Computing kpt #: 102 total cpu time spent up to now is 170.3 secs Computing kpt #: 103 total cpu time spent up to now is 171.9 secs Computing kpt #: 104 total cpu time spent up to now is 173.4 secs Computing kpt #: 105 total cpu time spent up to now is 175.0 secs Computing kpt #: 106 total cpu time spent up to now is 176.6 secs Computing kpt #: 107 total cpu time spent up to now is 178.1 secs Computing kpt #: 108 total cpu time spent up to now is 179.7 secs Computing kpt #: 109 total cpu time spent up to now is 181.2 secs Computing kpt #: 110 total cpu time spent up to now is 182.7 secs Computing kpt #: 111 total cpu time spent up to now is 184.2 secs Computing kpt #: 112 total cpu time spent up to now is 185.8 secs Computing kpt #: 113 total cpu time spent up to now is 187.4 secs Computing kpt #: 114 total cpu time spent up to now is 189.2 secs Computing kpt #: 115 total cpu time spent up to now is 190.8 secs Computing kpt #: 116 total cpu time spent up to now is 192.8 secs Computing kpt #: 117 total cpu time spent up to now is 194.8 secs Computing kpt #: 118 total cpu time spent up to now is 196.9 secs Computing kpt #: 119 total cpu time spent up to now is 198.8 secs Computing kpt #: 120 total cpu time spent up to now is 200.6 secs Computing kpt #: 121 total cpu time spent up to now is 202.8 secs Computing kpt #: 122 total cpu time spent up to now is 205.0 secs Computing kpt #: 123 total cpu time spent up to now is 206.8 secs Computing kpt #: 124 total cpu time spent up to now is 208.7 secs Computing kpt #: 125 total cpu time spent up to now is 210.9 secs Computing kpt #: 126 total cpu time spent up to now is 213.0 secs Computing kpt #: 127 total cpu time spent up to now is 215.0 secs Computing kpt #: 128 total cpu time spent up to now is 216.9 secs Computing kpt #: 129 total cpu time spent up to now is 218.7 secs Computing kpt #: 130 total cpu time spent up to now is 220.8 secs Computing kpt #: 131 total cpu time spent up to now is 223.2 secs Computing kpt #: 132 total cpu time spent up to now is 225.6 secs Computing kpt #: 133 total cpu time spent up to now is 227.7 secs Computing kpt #: 134 total cpu time spent up to now is 230.2 secs Computing kpt #: 135 total cpu time spent up to now is 231.8 secs Computing kpt #: 136 total cpu time spent up to now is 233.3 secs Computing kpt #: 137 total cpu time spent up to now is 235.3 secs Computing kpt #: 138 total cpu time spent up to now is 236.9 secs Computing kpt #: 139 total cpu time spent up to now is 238.5 secs Computing kpt #: 140 total cpu time spent up to now is 240.0 secs Computing kpt #: 141 total cpu time spent up to now is 241.5 secs Computing kpt #: 142 total cpu time spent up to now is 243.1 secs Computing kpt #: 143 total cpu time spent up to now is 244.7 secs Computing kpt #: 144 total cpu time spent up to now is 246.2 secs Computing kpt #: 145 total cpu time spent up to now is 247.6 secs Computing kpt #: 146 total cpu time spent up to now is 249.2 secs Computing kpt #: 147 total cpu time spent up to now is 250.7 secs Computing kpt #: 148 total cpu time spent up to now is 252.2 secs Computing kpt #: 149 total cpu time spent up to now is 253.7 secs Computing kpt #: 150 total cpu time spent up to now is 255.3 secs Computing kpt #: 151 total cpu time spent up to now is 256.8 secs Computing kpt #: 152 total cpu time spent up to now is 258.3 secs Computing kpt #: 153 total cpu time spent up to now is 259.9 secs Computing kpt #: 154 total cpu time spent up to now is 261.5 secs Computing kpt #: 155 total cpu time spent up to now is 263.1 secs Computing kpt #: 156 total cpu time spent up to now is 264.7 secs Computing kpt #: 157 total cpu time spent up to now is 266.3 secs Computing kpt #: 158 total cpu time spent up to now is 267.8 secs Computing kpt #: 159 total cpu time spent up to now is 269.4 secs Computing kpt #: 160 total cpu time spent up to now is 271.0 secs Computing kpt #: 161 total cpu time spent up to now is 272.5 secs Computing kpt #: 162 total cpu time spent up to now is 274.1 secs Computing kpt #: 163 total cpu time spent up to now is 275.8 secs Computing kpt #: 164 total cpu time spent up to now is 277.5 secs Computing kpt #: 165 total cpu time spent up to now is 279.4 secs Computing kpt #: 166 total cpu time spent up to now is 280.9 secs Computing kpt #: 167 total cpu time spent up to now is 282.4 secs Computing kpt #: 168 total cpu time spent up to now is 284.0 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.7 secs Computing kpt #: 170 total cpu time spent up to now is 289.3 secs Computing kpt #: 171 total cpu time spent up to now is 290.9 secs Computing kpt #: 172 total cpu time spent up to now is 292.5 secs Computing kpt #: 173 total cpu time spent up to now is 294.2 secs Computing kpt #: 174 total cpu time spent up to now is 296.6 secs Computing kpt #: 175 total cpu time spent up to now is 298.6 secs Computing kpt #: 176 total cpu time spent up to now is 300.3 secs Computing kpt #: 177 total cpu time spent up to now is 302.1 secs Computing kpt #: 178 total cpu time spent up to now is 304.0 secs Computing kpt #: 179 total cpu time spent up to now is 305.8 secs Computing kpt #: 180 total cpu time spent up to now is 307.5 secs Computing kpt #: 181 total cpu time spent up to now is 309.2 secs Computing kpt #: 182 total cpu time spent up to now is 310.8 secs Computing kpt #: 183 total cpu time spent up to now is 312.5 secs Computing kpt #: 184 total cpu time spent up to now is 314.2 secs Computing kpt #: 185 total cpu time spent up to now is 315.8 secs Computing kpt #: 186 total cpu time spent up to now is 317.4 secs Computing kpt #: 187 total cpu time spent up to now is 319.0 secs Computing kpt #: 188 total cpu time spent up to now is 320.5 secs Computing kpt #: 189 total cpu time spent up to now is 321.9 secs Computing kpt #: 190 total cpu time spent up to now is 323.3 secs Computing kpt #: 191 total cpu time spent up to now is 324.8 secs Computing kpt #: 192 total cpu time spent up to now is 326.0 secs Computing kpt #: 193 total cpu time spent up to now is 327.4 secs Computing kpt #: 194 total cpu time spent up to now is 328.9 secs Computing kpt #: 195 total cpu time spent up to now is 330.1 secs Computing kpt #: 196 total cpu time spent up to now is 331.4 secs Computing kpt #: 197 total cpu time spent up to now is 332.9 secs Computing kpt #: 198 total cpu time spent up to now is 334.3 secs Computing kpt #: 199 total cpu time spent up to now is 335.8 secs Computing kpt #: 200 total cpu time spent up to now is 337.3 secs Computing kpt #: 201 total cpu time spent up to now is 338.7 secs Computing kpt #: 202 total cpu time spent up to now is 340.2 secs Computing kpt #: 203 total cpu time spent up to now is 341.6 secs Computing kpt #: 204 total cpu time spent up to now is 343.0 secs Computing kpt #: 205 total cpu time spent up to now is 344.5 secs Computing kpt #: 206 total cpu time spent up to now is 346.1 secs Computing kpt #: 207 total cpu time spent up to now is 347.5 secs Computing kpt #: 208 total cpu time spent up to now is 349.0 secs Computing kpt #: 209 total cpu time spent up to now is 350.5 secs Computing kpt #: 210 total cpu time spent up to now is 352.8 secs Computing kpt #: 211 total cpu time spent up to now is 354.3 secs Computing kpt #: 212 total cpu time spent up to now is 355.9 secs Computing kpt #: 213 total cpu time spent up to now is 357.3 secs Computing kpt #: 214 total cpu time spent up to now is 358.9 secs Computing kpt #: 215 total cpu time spent up to now is 360.6 secs Computing kpt #: 216 total cpu time spent up to now is 362.3 secs Computing kpt #: 217 total cpu time spent up to now is 363.9 secs Computing kpt #: 218 total cpu time spent up to now is 365.6 secs Computing kpt #: 219 total cpu time spent up to now is 367.3 secs Computing kpt #: 220 total cpu time spent up to now is 368.9 secs Computing kpt #: 221 total cpu time spent up to now is 370.5 secs Computing kpt #: 222 total cpu time spent up to now is 372.2 secs Computing kpt #: 223 total cpu time spent up to now is 373.8 secs Computing kpt #: 224 total cpu time spent up to now is 375.3 secs Computing kpt #: 225 total cpu time spent up to now is 376.8 secs Computing kpt #: 226 total cpu time spent up to now is 378.3 secs Computing kpt #: 227 total cpu time spent up to now is 379.8 secs Computing kpt #: 228 total cpu time spent up to now is 381.3 secs Computing kpt #: 229 total cpu time spent up to now is 382.8 secs Computing kpt #: 230 total cpu time spent up to now is 384.3 secs Computing kpt #: 231 total cpu time spent up to now is 385.7 secs Computing kpt #: 232 total cpu time spent up to now is 387.5 secs Computing kpt #: 233 total cpu time spent up to now is 388.9 secs Computing kpt #: 234 total cpu time spent up to now is 390.3 secs Computing kpt #: 235 total cpu time spent up to now is 391.8 secs Computing kpt #: 236 total cpu time spent up to now is 393.4 secs Computing kpt #: 237 total cpu time spent up to now is 395.4 secs Computing kpt #: 238 total cpu time spent up to now is 396.9 secs Computing kpt #: 239 total cpu time spent up to now is 399.0 secs Computing kpt #: 240 total cpu time spent up to now is 401.1 secs Computing kpt #: 241 total cpu time spent up to now is 403.1 secs Computing kpt #: 242 total cpu time spent up to now is 404.7 secs Computing kpt #: 243 total cpu time spent up to now is 406.3 secs Computing kpt #: 244 total cpu time spent up to now is 408.8 secs Computing kpt #: 245 total cpu time spent up to now is 412.6 secs Computing kpt #: 246 total cpu time spent up to now is 414.6 secs Computing kpt #: 247 total cpu time spent up to now is 416.7 secs Computing kpt #: 248 total cpu time spent up to now is 419.0 secs Computing kpt #: 249 total cpu time spent up to now is 421.1 secs Computing kpt #: 250 total cpu time spent up to now is 422.5 secs Computing kpt #: 251 total cpu time spent up to now is 424.0 secs Computing kpt #: 252 total cpu time spent up to now is 425.5 secs Computing kpt #: 253 total cpu time spent up to now is 426.9 secs Computing kpt #: 254 total cpu time spent up to now is 428.4 secs Computing kpt #: 255 total cpu time spent up to now is 429.9 secs Computing kpt #: 256 total cpu time spent up to now is 431.4 secs Computing kpt #: 257 total cpu time spent up to now is 432.9 secs Computing kpt #: 258 total cpu time spent up to now is 434.4 secs Computing kpt #: 259 total cpu time spent up to now is 435.9 secs Computing kpt #: 260 total cpu time spent up to now is 437.4 secs Computing kpt #: 261 total cpu time spent up to now is 438.9 secs Computing kpt #: 262 total cpu time spent up to now is 440.4 secs Computing kpt #: 263 total cpu time spent up to now is 441.9 secs Computing kpt #: 264 total cpu time spent up to now is 443.3 secs Computing kpt #: 265 total cpu time spent up to now is 444.8 secs Computing kpt #: 266 total cpu time spent up to now is 446.3 secs Computing kpt #: 267 total cpu time spent up to now is 447.7 secs Computing kpt #: 268 total cpu time spent up to now is 449.2 secs Computing kpt #: 269 total cpu time spent up to now is 450.8 secs Computing kpt #: 270 total cpu time spent up to now is 452.4 secs Computing kpt #: 271 total cpu time spent up to now is 453.8 secs Computing kpt #: 272 total cpu time spent up to now is 455.3 secs Computing kpt #: 273 total cpu time spent up to now is 456.8 secs Computing kpt #: 274 total cpu time spent up to now is 458.3 secs Computing kpt #: 275 total cpu time spent up to now is 459.7 secs Computing kpt #: 276 total cpu time spent up to now is 461.3 secs Computing kpt #: 277 total cpu time spent up to now is 462.8 secs Computing kpt #: 278 total cpu time spent up to now is 464.2 secs Computing kpt #: 279 total cpu time spent up to now is 465.6 secs Computing kpt #: 280 total cpu time spent up to now is 466.8 secs Computing kpt #: 281 total cpu time spent up to now is 468.2 secs Computing kpt #: 282 total cpu time spent up to now is 469.4 secs Computing kpt #: 283 total cpu time spent up to now is 470.6 secs Computing kpt #: 284 total cpu time spent up to now is 471.9 secs Computing kpt #: 285 total cpu time spent up to now is 473.1 secs Computing kpt #: 286 total cpu time spent up to now is 474.3 secs Computing kpt #: 287 total cpu time spent up to now is 475.7 secs ethr = 2.08E-08, avg # of iterations = 31.6 total cpu time spent up to now is 475.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16427 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8743 -15.8743 -15.7492 -15.7492 -6.3566 -6.3566 -6.3431 -6.3431 -4.7510 -4.7510 -4.3888 -4.3888 -3.4189 -3.4189 -3.3044 -3.3044 -2.9356 -2.9356 -2.8985 -2.8985 3.0714 3.0714 3.6447 3.6447 3.6891 3.6891 3.9216 3.9216 3.9853 3.9853 4.0980 4.0980 6.3722 6.3722 6.7303 6.7303 8.3297 8.3297 8.4577 8.4577 8.8357 8.8357 k = 0.0000 0.0156-0.0000 ( 16433 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9076 -18.9076 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8742 -15.8742 -15.7492 -15.7492 -6.3568 -6.3568 -6.3433 -6.3433 -4.7508 -4.7508 -4.3890 -4.3890 -3.4187 -3.4187 -3.3041 -3.3041 -2.9358 -2.9358 -2.8985 -2.8985 3.0722 3.0722 3.6412 3.6412 3.6903 3.6903 3.9196 3.9196 3.9851 3.9851 4.0953 4.0953 6.3781 6.3781 6.7338 6.7338 8.3329 8.3329 8.4566 8.4566 8.8287 8.8287 k = 0.0000 0.0312-0.0000 ( 16419 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9076 -18.9076 -18.7483 -18.7483 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8739 -15.8739 -15.7494 -15.7494 -6.3572 -6.3572 -6.3437 -6.3437 -4.7502 -4.7502 -4.3895 -4.3895 -3.4183 -3.4183 -3.3034 -3.3034 -2.9366 -2.9366 -2.8986 -2.8986 3.0743 3.0743 3.6317 3.6317 3.6927 3.6927 3.9137 3.9137 3.9841 3.9841 4.0874 4.0874 6.3955 6.3955 6.7443 6.7443 8.3425 8.3425 8.4529 8.4529 8.8068 8.8068 k = 0.0000 0.0469-0.0000 ( 16415 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9076 -18.9076 -18.7482 -18.7482 -18.7420 -18.7420 -18.7371 -18.7371 -18.7174 -18.7174 -15.8734 -15.8734 -15.7496 -15.7496 -6.3580 -6.3580 -6.3443 -6.3443 -4.7493 -4.7493 -4.3904 -4.3904 -3.4177 -3.4177 -3.3022 -3.3022 -2.9379 -2.9379 -2.8988 -2.8988 3.0779 3.0779 3.6178 3.6178 3.6947 3.6947 3.9042 3.9042 3.9821 3.9821 4.0754 4.0754 6.4239 6.4239 6.7617 6.7617 8.3584 8.3584 8.4458 8.4458 8.7708 8.7708 k = 0.0000 0.0625-0.0000 ( 16423 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9232 -18.9232 -18.9077 -18.9077 -18.7481 -18.7481 -18.7420 -18.7420 -18.7372 -18.7372 -18.7175 -18.7175 -15.8727 -15.8727 -15.7499 -15.7499 -6.3591 -6.3591 -6.3452 -6.3452 -4.7480 -4.7480 -4.3917 -4.3917 -3.4168 -3.4168 -3.3006 -3.3006 -2.9397 -2.9397 -2.8990 -2.8990 3.0828 3.0828 3.6005 3.6005 3.6951 3.6951 3.8914 3.8914 3.9784 3.9784 4.0606 4.0606 6.4626 6.4626 6.7858 6.7858 8.3802 8.3802 8.4339 8.4339 8.7266 8.7266 k = 0.0000 0.0781-0.0000 ( 16413 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9231 -18.9231 -18.9078 -18.9078 -18.7480 -18.7480 -18.7420 -18.7420 -18.7372 -18.7372 -18.7177 -18.7177 -15.8718 -15.8718 -15.7503 -15.7503 -6.3605 -6.3605 -6.3464 -6.3464 -4.7463 -4.7463 -4.3933 -4.3933 -3.4156 -3.4156 -3.2985 -3.2985 -2.9421 -2.9421 -2.8993 -2.8993 3.0891 3.0891 3.5801 3.5801 3.6932 3.6932 3.8755 3.8755 3.9721 3.9721 4.0451 4.0451 6.5108 6.5108 6.8164 6.8164 8.4072 8.4072 8.4157 8.4157 8.6819 8.6819 k = 0.0000 0.0938-0.0000 ( 16417 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9230 -18.9230 -18.9079 -18.9079 -18.7478 -18.7478 -18.7420 -18.7420 -18.7373 -18.7373 -18.7179 -18.7179 -15.8706 -15.8706 -15.7509 -15.7509 -6.3622 -6.3622 -6.3478 -6.3478 -4.7443 -4.7443 -4.3952 -4.3952 -3.4142 -3.4142 -3.2960 -3.2960 -2.9449 -2.9449 -2.8997 -2.8997 3.0966 3.0966 3.5570 3.5570 3.6880 3.6880 3.8572 3.8572 3.9624 3.9624 4.0311 4.0311 6.5673 6.5673 6.8533 6.8533 8.3866 8.3866 8.4409 8.4409 8.6430 8.6430 k = 0.0000 0.1094-0.0000 ( 16429 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9229 -18.9229 -18.9080 -18.9080 -18.7476 -18.7476 -18.7419 -18.7419 -18.7373 -18.7373 -18.7182 -18.7182 -15.8693 -15.8693 -15.7515 -15.7515 -6.3642 -6.3642 -6.3494 -6.3494 -4.7418 -4.7418 -4.3975 -4.3975 -3.4124 -3.4124 -3.2931 -3.2931 -2.9482 -2.9482 -2.9003 -2.9003 3.1051 3.1051 3.5313 3.5313 3.6788 3.6788 3.8373 3.8373 3.9491 3.9491 4.0201 4.0201 6.6311 6.6311 6.8962 6.8962 8.3483 8.3483 8.4781 8.4781 8.6129 8.6129 k = 0.0000 0.1250-0.0000 ( 16445 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9228 -18.9228 -18.9081 -18.9081 -18.7473 -18.7473 -18.7419 -18.7419 -18.7374 -18.7374 -18.7185 -18.7185 -15.8678 -15.8678 -15.7522 -15.7522 -6.3664 -6.3664 -6.3512 -6.3512 -4.7389 -4.7389 -4.4001 -4.4001 -3.4103 -3.4103 -3.2897 -3.2897 -2.9520 -2.9520 -2.9010 -2.9010 3.1146 3.1146 3.5033 3.5033 3.6643 3.6643 3.8175 3.8175 3.9332 3.9332 4.0119 4.0119 6.7012 6.7012 6.9447 6.9447 8.3016 8.3016 8.5184 8.5184 8.5918 8.5918 k = 0.0000 0.1406-0.0000 ( 16465 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9226 -18.9226 -18.9083 -18.9083 -18.7471 -18.7471 -18.7419 -18.7419 -18.7375 -18.7375 -18.7188 -18.7188 -15.8662 -15.8662 -15.7530 -15.7530 -6.3688 -6.3688 -6.3533 -6.3533 -4.7357 -4.7357 -4.4031 -4.4031 -3.4080 -3.4080 -3.2860 -3.2860 -2.9562 -2.9562 -2.9018 -2.9018 3.1249 3.1249 3.4733 3.4733 3.6441 3.6441 3.7992 3.7992 3.9157 3.9157 4.0057 4.0057 6.7765 6.7765 6.9983 6.9983 8.2497 8.2497 8.5584 8.5584 8.5792 8.5792 k = 0.0000 0.1562-0.0000 ( 16465 PWs) bands (ev): -46.8635 -46.8635 -46.8610 -46.8610 -18.9225 -18.9225 -18.9084 -18.9084 -18.7468 -18.7468 -18.7419 -18.7419 -18.7375 -18.7375 -18.7192 -18.7192 -15.8643 -15.8643 -15.7538 -15.7538 -6.3714 -6.3714 -6.3555 -6.3555 -4.7320 -4.7320 -4.4064 -4.4064 -3.4053 -3.4053 -3.2819 -3.2819 -2.9607 -2.9607 -2.9029 -2.9029 3.1355 3.1355 3.4414 3.4414 3.6182 3.6182 3.7834 3.7834 3.8977 3.8977 4.0009 4.0009 6.8559 6.8559 7.0565 7.0565 8.1960 8.1960 8.5642 8.5642 8.6038 8.6038 k = 0.0000 0.1719-0.0000 ( 16469 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9223 -18.9223 -18.9086 -18.9086 -18.7464 -18.7464 -18.7418 -18.7418 -18.7376 -18.7376 -18.7196 -18.7196 -15.8623 -15.8623 -15.7548 -15.7548 -6.3742 -6.3742 -6.3580 -6.3580 -4.7280 -4.7280 -4.4101 -4.4101 -3.4022 -3.4022 -3.2775 -3.2775 -2.9657 -2.9657 -2.9042 -2.9042 3.1463 3.1463 3.4080 3.4080 3.5880 3.5880 3.7700 3.7700 3.8795 3.8795 3.9967 3.9967 6.9385 6.9385 7.1186 7.1186 8.1430 8.1430 8.5569 8.5569 8.6221 8.6221 k = 0.0000 0.1875-0.0000 ( 16467 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9220 -18.9220 -18.9088 -18.9088 -18.7460 -18.7460 -18.7418 -18.7418 -18.7377 -18.7377 -18.7200 -18.7200 -15.8601 -15.8601 -15.7559 -15.7559 -6.3771 -6.3771 -6.3606 -6.3606 -4.7235 -4.7235 -4.4141 -4.4141 -3.3988 -3.3988 -3.2728 -3.2728 -2.9709 -2.9709 -2.9057 -2.9057 3.1565 3.1565 3.3734 3.3734 3.5557 3.5557 3.7585 3.7585 3.8615 3.8615 3.9929 3.9929 7.0234 7.0234 7.1837 7.1837 8.0931 8.0931 8.5507 8.5507 8.5968 8.5968 k = 0.0000 0.2031-0.0000 ( 16479 PWs) bands (ev): -46.8634 -46.8634 -46.8611 -46.8611 -18.9218 -18.9218 -18.9090 -18.9090 -18.7456 -18.7456 -18.7418 -18.7418 -18.7378 -18.7378 -18.7205 -18.7205 -15.8578 -15.8578 -15.7571 -15.7571 -6.3801 -6.3801 -6.3634 -6.3634 -4.7186 -4.7186 -4.4185 -4.4185 -3.3950 -3.3950 -3.2679 -3.2679 -2.9764 -2.9764 -2.9075 -2.9075 3.1654 3.1654 3.3380 3.3380 3.5233 3.5233 3.7481 3.7481 3.8437 3.8437 3.9893 3.9893 7.1097 7.1097 7.2504 7.2504 8.0482 8.0482 8.5453 8.5453 8.5727 8.5727 k = 0.0000 0.2188-0.0000 ( 16475 PWs) bands (ev): -46.8634 -46.8634 -46.8612 -46.8612 -18.9216 -18.9216 -18.9093 -18.9093 -18.7452 -18.7452 -18.7417 -18.7417 -18.7379 -18.7379 -18.7210 -18.7210 -15.8554 -15.8554 -15.7584 -15.7584 -6.3832 -6.3832 -6.3663 -6.3663 -4.7133 -4.7133 -4.4232 -4.4232 -3.3908 -3.3908 -3.2628 -3.2628 -2.9821 -2.9821 -2.9095 -2.9095 3.1718 3.1718 3.3021 3.3021 3.4932 3.4932 3.7385 3.7385 3.8263 3.8263 3.9855 3.9855 7.1963 7.1963 7.3168 7.3168 8.0107 8.0107 8.5403 8.5403 8.5512 8.5512 k = 0.0000 0.2344-0.0000 ( 16459 PWs) bands (ev): -46.8633 -46.8633 -46.8612 -46.8612 -18.9213 -18.9213 -18.9095 -18.9095 -18.7447 -18.7447 -18.7417 -18.7417 -18.7380 -18.7380 -18.7216 -18.7216 -15.8528 -15.8528 -15.7599 -15.7599 -6.3863 -6.3863 -6.3694 -6.3694 -4.7075 -4.7075 -4.4282 -4.4282 -3.3863 -3.3863 -3.2577 -3.2577 -2.9880 -2.9880 -2.9120 -2.9120 3.1743 3.1743 3.2662 3.2662 3.4676 3.4676 3.7291 3.7291 3.8093 3.8093 3.9815 3.9815 7.2822 7.2822 7.3802 7.3802 7.9837 7.9837 8.5325 8.5325 8.5359 8.5359 k = 0.0000 0.2500-0.0000 ( 16469 PWs) bands (ev): -46.8633 -46.8633 -46.8613 -46.8613 -18.9210 -18.9210 -18.9097 -18.9097 -18.7442 -18.7442 -18.7416 -18.7416 -18.7381 -18.7381 -18.7221 -18.7221 -15.8501 -15.8501 -15.7614 -15.7614 -6.3894 -6.3894 -6.3725 -6.3725 -4.7014 -4.7014 -4.4336 -4.4336 -3.3813 -3.3813 -3.2525 -3.2525 -2.9938 -2.9938 -2.9147 -2.9147 3.1713 3.1713 3.2307 3.2307 3.4486 3.4486 3.7199 3.7199 3.7930 3.7930 3.9771 3.9771 7.3663 7.3663 7.4364 7.4364 7.9714 7.9714 8.5175 8.5175 8.5311 8.5311 k = 0.0000 0.2656-0.0000 ( 16477 PWs) bands (ev): -46.8632 -46.8632 -46.8613 -46.8613 -18.9207 -18.9207 -18.9100 -18.9100 -18.7437 -18.7437 -18.7415 -18.7415 -18.7383 -18.7383 -18.7227 -18.7227 -15.8473 -15.8473 -15.7630 -15.7630 -6.3925 -6.3925 -6.3757 -6.3757 -4.6949 -4.6949 -4.4394 -4.4394 -3.3760 -3.3760 -3.2474 -3.2474 -2.9997 -2.9997 -2.9178 -2.9178 3.1614 3.1614 3.1962 3.1962 3.4377 3.4377 3.7106 3.7106 3.7774 3.7774 3.9721 3.9721 7.4472 7.4472 7.4807 7.4807 7.9784 7.9784 8.5060 8.5060 8.5260 8.5260 k = 0.0000 0.2812-0.0000 ( 16471 PWs) bands (ev): -46.8632 -46.8632 -46.8614 -46.8614 -18.9204 -18.9204 -18.9103 -18.9103 -18.7432 -18.7432 -18.7414 -18.7414 -18.7384 -18.7384 -18.7234 -18.7234 -15.8444 -15.8444 -15.7647 -15.7647 -6.3955 -6.3955 -6.3790 -6.3790 -4.6879 -4.6879 -4.4455 -4.4455 -3.3702 -3.3702 -3.2426 -3.2426 -3.0053 -3.0053 -2.9213 -2.9213 3.1441 3.1441 3.1640 3.1640 3.4349 3.4349 3.7012 3.7012 3.7628 3.7628 3.9665 3.9665 7.5082 7.5082 7.5248 7.5248 8.0079 8.0079 8.4981 8.4981 8.5163 8.5163 k = 0.0000 0.2969-0.0000 ( 16465 PWs) bands (ev): -46.8631 -46.8631 -46.8614 -46.8614 -18.9201 -18.9201 -18.9106 -18.9106 -18.7427 -18.7427 -18.7413 -18.7413 -18.7385 -18.7385 -18.7240 -18.7240 -15.8414 -15.8414 -15.7666 -15.7666 -6.3984 -6.3984 -6.3823 -6.3823 -4.6806 -4.6806 -4.4519 -4.4519 -3.3641 -3.3641 -3.2380 -3.2380 -3.0106 -3.0106 -2.9251 -2.9251 3.1193 3.1193 3.1355 3.1355 3.4391 3.4391 3.6917 3.6917 3.7495 3.7495 3.9600 3.9600 7.5226 7.5226 7.5942 7.5942 8.0593 8.0593 8.4847 8.4847 8.4944 8.4944 k = 0.0000 0.3125-0.0000 ( 16459 PWs) bands (ev): -46.8631 -46.8631 -46.8615 -46.8615 -18.9198 -18.9198 -18.9109 -18.9109 -18.7421 -18.7421 -18.7412 -18.7412 -18.7386 -18.7386 -18.7246 -18.7246 -15.8383 -15.8383 -15.7685 -15.7685 -6.4012 -6.4012 -6.3856 -6.3856 -4.6729 -4.6729 -4.4587 -4.4587 -3.3576 -3.3576 -3.2340 -3.2340 -3.0154 -3.0154 -2.9293 -2.9293 3.0905 3.0905 3.1095 3.1095 3.4485 3.4485 3.6820 3.6820 3.7376 3.7376 3.9525 3.9525 7.5256 7.5256 7.6554 7.6554 8.1281 8.1281 8.4494 8.4494 8.4942 8.4942 k = 0.0000 0.3281-0.0000 ( 16447 PWs) bands (ev): -46.8630 -46.8630 -46.8615 -46.8615 -18.9194 -18.9194 -18.9112 -18.9112 -18.7417 -18.7417 -18.7410 -18.7410 -18.7387 -18.7387 -18.7253 -18.7253 -15.8352 -15.8352 -15.7706 -15.7706 -6.4037 -6.4037 -6.3888 -6.3888 -4.6649 -4.6649 -4.4658 -4.4658 -3.3507 -3.3507 -3.2307 -3.2307 -3.0197 -3.0197 -2.9339 -2.9339 3.0618 3.0618 3.0838 3.0838 3.4615 3.4615 3.6722 3.6722 3.7273 3.7273 3.9441 3.9441 7.5224 7.5224 7.7056 7.7056 8.2090 8.2090 8.4198 8.4198 8.4981 8.4981 k = 0.0000 0.3438-0.0000 ( 16439 PWs) bands (ev): -46.8629 -46.8629 -46.8616 -46.8616 -18.9191 -18.9191 -18.9115 -18.9115 -18.7414 -18.7414 -18.7406 -18.7406 -18.7388 -18.7388 -18.7260 -18.7260 -15.8320 -15.8320 -15.7728 -15.7728 -6.4061 -6.4061 -6.3920 -6.3920 -4.6566 -4.6566 -4.4732 -4.4732 -3.3435 -3.3435 -3.2281 -3.2281 -3.0231 -3.0231 -2.9389 -2.9389 3.0345 3.0345 3.0584 3.0584 3.4767 3.4767 3.6625 3.6625 3.7191 3.7191 3.9346 3.9346 7.5169 7.5169 7.7424 7.7424 8.2971 8.2971 8.3990 8.3990 8.5055 8.5055 k = 0.0000 0.3594-0.0000 ( 16441 PWs) bands (ev): -46.8629 -46.8629 -46.8617 -46.8617 -18.9187 -18.9187 -18.9119 -18.9119 -18.7412 -18.7412 -18.7400 -18.7400 -18.7389 -18.7389 -18.7267 -18.7267 -15.8288 -15.8288 -15.7750 -15.7750 -6.4082 -6.4082 -6.3951 -6.3951 -4.6479 -4.6479 -4.4810 -4.4810 -3.3360 -3.3360 -3.2266 -3.2266 -3.0256 -3.0256 -2.9442 -2.9442 3.0093 3.0093 3.0339 3.0339 3.4930 3.4930 3.6528 3.6528 3.7130 3.7130 3.9239 3.9239 7.5114 7.5114 7.7642 7.7642 8.3878 8.3878 8.3887 8.3887 8.5132 8.5132 k = 0.0000 0.3750-0.0000 ( 16427 PWs) bands (ev): -46.8628 -46.8628 -46.8617 -46.8617 -18.9184 -18.9184 -18.9122 -18.9122 -18.7411 -18.7411 -18.7395 -18.7395 -18.7389 -18.7389 -18.7274 -18.7274 -15.8255 -15.8255 -15.7774 -15.7774 -6.4101 -6.4101 -6.3981 -6.3981 -4.6390 -4.6390 -4.4891 -4.4891 -3.3282 -3.3282 -3.2261 -3.2261 -3.0270 -3.0270 -2.9498 -2.9498 2.9865 2.9865 3.0106 3.0106 3.5095 3.5095 3.6434 3.6434 3.7093 3.7093 3.9120 3.9120 7.5076 7.5076 7.7711 7.7711 8.3880 8.3880 8.4681 8.4681 8.5286 8.5286 k = 0.0000 0.3906-0.0000 ( 16423 PWs) bands (ev): -46.8628 -46.8628 -46.8618 -46.8618 -18.9180 -18.9180 -18.9126 -18.9126 -18.7410 -18.7410 -18.7394 -18.7394 -18.7385 -18.7385 -18.7281 -18.7281 -15.8222 -15.8222 -15.7799 -15.7799 -6.4117 -6.4117 -6.4009 -6.4009 -4.6299 -4.6299 -4.4974 -4.4974 -3.3202 -3.3202 -3.2269 -3.2269 -3.0273 -3.0273 -2.9558 -2.9558 2.9664 2.9664 2.9891 2.9891 3.5254 3.5254 3.6345 3.6345 3.7085 3.7085 3.8991 3.8991 7.5064 7.5064 7.7651 7.7651 8.3957 8.3957 8.4937 8.4937 8.5564 8.5564 k = 0.0000 0.4062-0.0000 ( 16451 PWs) bands (ev): -46.8627 -46.8627 -46.8619 -46.8619 -18.9176 -18.9176 -18.9130 -18.9130 -18.7409 -18.7409 -18.7395 -18.7395 -18.7379 -18.7379 -18.7289 -18.7289 -15.8189 -15.8189 -15.7824 -15.7824 -6.4130 -6.4130 -6.4035 -6.4035 -4.6205 -4.6205 -4.5061 -4.5061 -3.3119 -3.3119 -3.2289 -3.2289 -3.0264 -3.0264 -2.9620 -2.9620 2.9490 2.9490 2.9697 2.9697 3.5399 3.5399 3.6261 3.6261 3.7107 3.7107 3.8850 3.8850 7.5083 7.5083 7.7493 7.7493 8.4086 8.4086 8.4965 8.4965 8.5810 8.5810 k = 0.0000 0.4219-0.0000 ( 16451 PWs) bands (ev): -46.8626 -46.8626 -46.8619 -46.8619 -18.9172 -18.9172 -18.9133 -18.9133 -18.7408 -18.7408 -18.7396 -18.7396 -18.7372 -18.7372 -18.7297 -18.7297 -15.8157 -15.8157 -15.7851 -15.7851 -6.4140 -6.4140 -6.4059 -6.4059 -4.6110 -4.6110 -4.5150 -4.5150 -3.3035 -3.3035 -3.2320 -3.2320 -3.0243 -3.0243 -2.9684 -2.9684 2.9344 2.9344 2.9526 2.9526 3.5524 3.5524 3.6184 3.6184 3.7162 3.7162 3.8699 3.8699 7.5137 7.5137 7.7269 7.7269 8.4237 8.4237 8.4963 8.4963 8.6096 8.6096 k = 0.0000 0.4375-0.0000 ( 16450 PWs) bands (ev): -46.8626 -46.8626 -46.8620 -46.8620 -18.9169 -18.9169 -18.9137 -18.9137 -18.7407 -18.7407 -18.7397 -18.7397 -18.7365 -18.7365 -18.7304 -18.7304 -15.8124 -15.8124 -15.7879 -15.7879 -6.4146 -6.4146 -6.4080 -6.4080 -4.6014 -4.6014 -4.5241 -4.5241 -3.2951 -3.2951 -3.2364 -3.2364 -3.0212 -3.0212 -2.9749 -2.9749 2.9228 2.9228 2.9379 2.9379 3.5629 3.5629 3.6114 3.6114 3.7251 3.7251 3.8538 3.8538 7.5227 7.5227 7.7007 7.7007 8.4387 8.4387 8.4951 8.4951 8.6421 8.6421 k = 0.0000 0.4531-0.0000 ( 16434 PWs) bands (ev): -46.8625 -46.8625 -46.8621 -46.8621 -18.9164 -18.9164 -18.9141 -18.9141 -18.7405 -18.7405 -18.7398 -18.7398 -18.7357 -18.7357 -18.7312 -18.7312 -15.8092 -15.8092 -15.7907 -15.7907 -6.4150 -6.4150 -6.4100 -6.4100 -4.5916 -4.5916 -4.5334 -4.5334 -3.2866 -3.2866 -3.2417 -3.2417 -3.0172 -3.0172 -2.9815 -2.9815 2.9143 2.9143 2.9259 2.9259 3.5713 3.5713 3.6051 3.6051 3.7370 3.7370 3.8370 3.8370 7.5353 7.5353 7.6728 7.6728 8.4524 8.4524 8.4931 8.4931 8.6786 8.6786 k = 0.0000 0.4688-0.0000 ( 16422 PWs) bands (ev): -46.8624 -46.8624 -46.8621 -46.8621 -18.9160 -18.9160 -18.9145 -18.9145 -18.7404 -18.7404 -18.7400 -18.7400 -18.7350 -18.7350 -18.7319 -18.7319 -15.8060 -15.8060 -15.7936 -15.7936 -6.4149 -6.4149 -6.4116 -6.4116 -4.5818 -4.5818 -4.5429 -4.5429 -3.2783 -3.2783 -3.2479 -3.2479 -3.0123 -3.0123 -2.9881 -2.9881 2.9087 2.9087 2.9166 2.9166 3.5781 3.5781 3.5993 3.5993 3.7513 3.7513 3.8196 3.8196 7.5514 7.5514 7.6449 7.6449 8.4640 8.4640 8.4902 8.4902 8.7189 8.7189 k = 0.0000 0.4844-0.0000 ( 16416 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9157 -18.9157 -18.9149 -18.9149 -18.7403 -18.7403 -18.7401 -18.7401 -18.7342 -18.7342 -18.7327 -18.7327 -15.8028 -15.8028 -15.7966 -15.7966 -6.4146 -6.4146 -6.4129 -6.4129 -4.5720 -4.5720 -4.5525 -4.5525 -3.2701 -3.2701 -3.2548 -3.2548 -3.0069 -3.0069 -2.9946 -2.9946 2.9062 2.9062 2.9102 2.9102 3.5838 3.5838 3.5941 3.5941 3.7673 3.7673 3.8020 3.8020 7.5708 7.5708 7.6181 7.6181 8.4735 8.4735 8.4862 8.4862 8.7629 8.7629 k = 0.0000 0.5000-0.0000 ( 16410 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4139 -6.4139 -6.4139 -6.4139 -4.5622 -4.5622 -4.5622 -4.5622 -3.2622 -3.2622 -3.2622 -3.2622 -3.0009 -3.0009 -3.0009 -3.0009 2.9067 2.9067 2.9067 2.9067 3.5890 3.5890 3.5890 3.5890 3.7844 3.7844 3.7844 3.7844 7.5932 7.5932 7.5932 7.5932 8.4808 8.4808 8.4808 8.4808 8.8105 8.8105 k = 0.0000 0.5000-0.0000 ( 16410 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4139 -6.4139 -6.4139 -6.4139 -4.5622 -4.5622 -4.5622 -4.5622 -3.2622 -3.2622 -3.2622 -3.2622 -3.0009 -3.0009 -3.0009 -3.0009 2.9067 2.9067 2.9067 2.9067 3.5890 3.5890 3.5890 3.5890 3.7844 3.7844 3.7844 3.7844 7.5932 7.5932 7.5932 7.5932 8.4808 8.4808 8.4808 8.4808 8.8105 8.8105 k = 0.0156 0.5000-0.0000 ( 16426 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7403 -18.7403 -18.7402 -18.7402 -18.7335 -18.7335 -18.7334 -18.7334 -15.7997 -15.7997 -15.7996 -15.7996 -6.4136 -6.4136 -6.4135 -6.4135 -4.5627 -4.5627 -4.5625 -4.5625 -3.2708 -3.2708 -3.2543 -3.2543 -3.0102 -3.0102 -2.9926 -2.9926 2.9065 2.9065 2.9087 2.9087 3.5767 3.5767 3.5994 3.5994 3.7715 3.7715 3.7983 3.7983 7.5913 7.5913 7.5932 7.5932 8.4715 8.4715 8.4781 8.4781 8.8196 8.8196 k = 0.0312 0.5000-0.0000 ( 16438 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7405 -18.7405 -18.7403 -18.7403 -18.7334 -18.7334 -18.7332 -18.7332 -15.7996 -15.7996 -15.7996 -15.7996 -6.4128 -6.4128 -6.4125 -6.4125 -4.5637 -4.5637 -4.5633 -4.5633 -3.2798 -3.2798 -3.2469 -3.2469 -3.0204 -3.0204 -2.9853 -2.9853 2.9081 2.9081 2.9125 2.9125 3.5634 3.5634 3.6073 3.6073 3.7606 3.7606 3.8125 3.8125 7.5876 7.5876 7.5916 7.5916 8.4531 8.4531 8.4649 8.4649 8.8477 8.8477 k = 0.0469 0.5000-0.0000 ( 16452 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7408 -18.7408 -18.7405 -18.7405 -18.7332 -18.7332 -18.7329 -18.7329 -15.7994 -15.7994 -15.7994 -15.7994 -6.4113 -6.4113 -6.4109 -6.4109 -4.5654 -4.5654 -4.5648 -4.5648 -3.2893 -3.2893 -3.2403 -3.2403 -3.0315 -3.0315 -2.9791 -2.9791 2.9116 2.9116 2.9179 2.9179 3.5496 3.5496 3.6116 3.6116 3.7525 3.7525 3.8266 3.8266 7.5825 7.5825 7.5884 7.5884 8.4295 8.4295 8.4448 8.4448 8.8907 8.8907 k = 0.0625 0.5000-0.0000 ( 16440 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9154 -18.9154 -18.9153 -18.9153 -18.7412 -18.7412 -18.7408 -18.7408 -18.7329 -18.7329 -18.7325 -18.7325 -15.7993 -15.7993 -15.7992 -15.7992 -6.4092 -6.4092 -6.4087 -6.4087 -4.5677 -4.5677 -4.5668 -4.5668 -3.2992 -3.2992 -3.2343 -3.2343 -3.0433 -3.0433 -2.9740 -2.9740 2.9168 2.9168 2.9249 2.9249 3.5358 3.5358 3.6118 3.6118 3.7479 3.7479 3.8401 3.8401 7.5763 7.5763 7.5840 7.5840 8.4039 8.4039 8.4213 8.4213 8.9432 8.9432 k = 0.0781 0.5000-0.0000 ( 16426 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9154 -18.9154 -18.9153 -18.9153 -18.7415 -18.7415 -18.7411 -18.7411 -18.7325 -18.7325 -18.7321 -18.7321 -15.7990 -15.7990 -15.7990 -15.7990 -6.4065 -6.4065 -6.4059 -6.4059 -4.5705 -4.5705 -4.5695 -4.5695 -3.3094 -3.3094 -3.2291 -3.2291 -3.0557 -3.0557 -2.9700 -2.9700 2.9237 2.9237 2.9332 2.9332 3.5224 3.5224 3.6079 3.6079 3.7467 3.7467 3.8525 3.8525 7.5693 7.5693 7.5789 7.5789 8.3781 8.3781 8.3968 8.3968 8.9999 8.9999 k = 0.0938 0.5000-0.0000 ( 16438 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9155 -18.9155 -18.9154 -18.9154 -18.7420 -18.7420 -18.7415 -18.7415 -18.7321 -18.7321 -18.7317 -18.7317 -15.7987 -15.7987 -15.7987 -15.7987 -6.4032 -6.4032 -6.4026 -6.4026 -4.5740 -4.5740 -4.5728 -4.5728 -3.3199 -3.3199 -3.2247 -3.2247 -3.0686 -3.0686 -2.9671 -2.9671 2.9321 2.9321 2.9426 2.9426 3.5096 3.5096 3.6007 3.6007 3.7482 3.7482 3.8637 3.8637 7.5623 7.5623 7.5735 7.5735 8.3531 8.3531 8.3724 8.3724 9.0597 9.0597 k = 0.1094 0.5000-0.0000 ( 16440 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9155 -18.9155 -18.9154 -18.9154 -18.7424 -18.7424 -18.7419 -18.7419 -18.7317 -18.7317 -18.7313 -18.7313 -15.7984 -15.7984 -15.7984 -15.7984 -6.3994 -6.3994 -6.3987 -6.3987 -4.5780 -4.5780 -4.5767 -4.5767 -3.3305 -3.3305 -3.2211 -3.2211 -3.0819 -3.0819 -2.9653 -2.9653 2.9420 2.9420 2.9530 2.9530 3.4980 3.4980 3.5914 3.5914 3.7514 3.7514 3.8735 3.8735 7.5557 7.5557 7.5684 7.5684 8.3291 8.3291 8.3486 8.3486 9.1206 9.1206 k = 0.1250 0.5000-0.0000 ( 16440 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9156 -18.9156 -18.9154 -18.9154 -18.7428 -18.7428 -18.7423 -18.7423 -18.7312 -18.7312 -18.7308 -18.7308 -15.7980 -15.7980 -15.7980 -15.7980 -6.3950 -6.3950 -6.3942 -6.3942 -4.5826 -4.5826 -4.5811 -4.5811 -3.3412 -3.3412 -3.2185 -3.2185 -3.0953 -3.0953 -2.9646 -2.9646 2.9530 2.9530 2.9641 2.9641 3.4877 3.4877 3.5810 3.5810 3.7552 3.7552 3.8816 3.8816 7.5501 7.5501 7.5640 7.5640 8.3062 8.3062 8.3256 8.3256 9.1804 9.1804 k = 0.1406 0.5000-0.0000 ( 16430 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9156 -18.9156 -18.9155 -18.9155 -18.7433 -18.7433 -18.7427 -18.7427 -18.7307 -18.7307 -18.7303 -18.7303 -15.7976 -15.7976 -15.7976 -15.7976 -6.3902 -6.3902 -6.3893 -6.3893 -4.5877 -4.5877 -4.5861 -4.5861 -3.3519 -3.3519 -3.2170 -3.2170 -3.1085 -3.1085 -2.9650 -2.9650 2.9651 2.9651 2.9755 2.9755 3.4790 3.4790 3.5703 3.5703 3.7589 3.7589 3.8879 3.8879 7.5459 7.5459 7.5609 7.5609 8.2843 8.2843 8.3034 8.3034 9.2383 9.2383 k = 0.1562 0.5000-0.0000 ( 16426 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9157 -18.9157 -18.9156 -18.9156 -18.7437 -18.7437 -18.7432 -18.7432 -18.7303 -18.7303 -18.7299 -18.7299 -15.7972 -15.7972 -15.7972 -15.7972 -6.3850 -6.3850 -6.3840 -6.3840 -4.5933 -4.5933 -4.5915 -4.5915 -3.3625 -3.3625 -3.2169 -3.2169 -3.1211 -3.1211 -2.9663 -2.9663 2.9779 2.9779 2.9870 2.9870 3.4720 3.4720 3.5601 3.5601 3.7620 3.7620 3.8924 3.8924 7.5435 7.5435 7.5594 7.5594 8.2632 8.2632 8.2819 8.2819 9.2946 9.2946 k = 0.1719 0.5000-0.0000 ( 16410 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9158 -18.9158 -18.9156 -18.9156 -18.7442 -18.7442 -18.7436 -18.7436 -18.7298 -18.7298 -18.7294 -18.7294 -15.7967 -15.7967 -15.7967 -15.7967 -6.3793 -6.3793 -6.3782 -6.3782 -4.5993 -4.5993 -4.5975 -4.5975 -3.3730 -3.3730 -3.2186 -3.2186 -3.1327 -3.1327 -2.9687 -2.9687 2.9912 2.9912 2.9984 2.9984 3.4671 3.4671 3.5508 3.5508 3.7643 3.7643 3.8950 3.8950 7.5434 7.5434 7.5598 7.5598 8.2427 8.2427 8.2610 8.2610 9.3505 9.3505 k = 0.1875 0.5000-0.0000 ( 16410 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9159 -18.9159 -18.9157 -18.9157 -18.7446 -18.7446 -18.7440 -18.7440 -18.7293 -18.7293 -18.7289 -18.7289 -15.7962 -15.7962 -15.7962 -15.7962 -6.3733 -6.3733 -6.3722 -6.3722 -4.6057 -4.6057 -4.6038 -4.6038 -3.3831 -3.3831 -3.2224 -3.2224 -3.1428 -3.1428 -2.9719 -2.9719 3.0047 3.0047 3.0094 3.0094 3.4643 3.4643 3.5426 3.5426 3.7655 3.7655 3.8956 3.8956 7.5457 7.5457 7.5624 7.5624 8.2226 8.2226 8.2405 8.2405 9.4071 9.4071 k = 0.2031 0.5000-0.0000 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9159 -18.9159 -18.9158 -18.9158 -18.7450 -18.7450 -18.7445 -18.7445 -18.7288 -18.7288 -18.7285 -18.7285 -15.7957 -15.7957 -15.7957 -15.7957 -6.3669 -6.3669 -6.3658 -6.3658 -4.6124 -4.6124 -4.6105 -4.6105 -3.3930 -3.3930 -3.2287 -3.2287 -3.1507 -3.1507 -2.9760 -2.9760 3.0183 3.0183 3.0197 3.0197 3.4635 3.4635 3.5357 3.5357 3.7656 3.7656 3.8945 3.8945 7.5506 7.5506 7.5673 7.5673 8.2030 8.2030 8.2203 8.2203 9.4651 9.4651 k = 0.2188 0.5000-0.0000 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9160 -18.9160 -18.9158 -18.9158 -18.7454 -18.7454 -18.7449 -18.7449 -18.7284 -18.7284 -18.7280 -18.7280 -15.7952 -15.7952 -15.7952 -15.7952 -6.3603 -6.3603 -6.3591 -6.3591 -4.6195 -4.6195 -4.6176 -4.6176 -3.4025 -3.4025 -3.2374 -3.2374 -3.1564 -3.1564 -2.9808 -2.9808 3.0294 3.0294 3.0316 3.0316 3.4649 3.4649 3.5304 3.5304 3.7647 3.7647 3.8917 3.8917 7.5581 7.5581 7.5745 7.5745 8.1836 8.1836 8.2005 8.2005 9.5249 9.5249 k = 0.2344 0.5000-0.0000 ( 16376 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9161 -18.9161 -18.9159 -18.9159 -18.7458 -18.7458 -18.7453 -18.7453 -18.7279 -18.7279 -18.7276 -18.7276 -15.7946 -15.7946 -15.7946 -15.7946 -6.3535 -6.3535 -6.3523 -6.3523 -4.6268 -4.6268 -4.6249 -4.6249 -3.4115 -3.4115 -3.2484 -3.2484 -3.1600 -3.1600 -2.9863 -2.9863 3.0382 3.0382 3.0445 3.0445 3.4681 3.4681 3.5266 3.5266 3.7628 3.7628 3.8872 3.8872 7.5683 7.5683 7.5841 7.5841 8.1645 8.1645 8.1810 8.1810 9.5865 9.5865 k = 0.2500 0.5000-0.0000 ( 16378 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9162 -18.9162 -18.9160 -18.9160 -18.7462 -18.7462 -18.7457 -18.7457 -18.7275 -18.7275 -18.7272 -18.7272 -15.7941 -15.7941 -15.7941 -15.7941 -6.3466 -6.3466 -6.3453 -6.3453 -4.6343 -4.6343 -4.6324 -4.6324 -3.4199 -3.4199 -3.2608 -3.2608 -3.1621 -3.1621 -2.9925 -2.9925 3.0462 3.0462 3.0567 3.0567 3.4731 3.4731 3.5242 3.5242 3.7602 3.7602 3.8814 3.8814 7.5809 7.5809 7.5960 7.5960 8.1457 8.1457 8.1617 8.1617 9.6497 9.6497 k = 0.2656 0.5000-0.0000 ( 16364 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9163 -18.9163 -18.9161 -18.9161 -18.7465 -18.7465 -18.7460 -18.7460 -18.7271 -18.7271 -18.7267 -18.7267 -15.7935 -15.7935 -15.7935 -15.7935 -6.3396 -6.3396 -6.3383 -6.3383 -4.6418 -4.6418 -4.6400 -4.6400 -3.4277 -3.4277 -3.2743 -3.2743 -3.1631 -3.1631 -2.9992 -2.9992 3.0534 3.0534 3.0681 3.0681 3.4794 3.4794 3.5232 3.5232 3.7570 3.7570 3.8743 3.8743 7.5958 7.5958 7.6100 7.6100 8.1273 8.1273 8.1428 8.1428 9.7141 9.7141 k = 0.2812 0.5000-0.0000 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9164 -18.9164 -18.9162 -18.9162 -18.7469 -18.7469 -18.7464 -18.7464 -18.7267 -18.7267 -18.7264 -18.7264 -15.7930 -15.7930 -15.7930 -15.7930 -6.3326 -6.3326 -6.3313 -6.3313 -4.6494 -4.6494 -4.6477 -4.6477 -3.4349 -3.4349 -3.2883 -3.2883 -3.1632 -3.1632 -3.0064 -3.0064 3.0600 3.0600 3.0786 3.0786 3.4867 3.4867 3.5233 3.5233 3.7535 3.7535 3.8663 3.8663 7.6127 7.6127 7.6258 7.6258 8.1092 8.1092 8.1243 8.1243 9.7791 9.7791 k = 0.2969 0.5000-0.0000 ( 16376 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9164 -18.9164 -18.9162 -18.9162 -18.7472 -18.7472 -18.7468 -18.7468 -18.7263 -18.7263 -18.7260 -18.7260 -15.7925 -15.7925 -15.7925 -15.7925 -6.3257 -6.3257 -6.3244 -6.3244 -4.6570 -4.6570 -4.6553 -4.6553 -3.4414 -3.4414 -3.3025 -3.3025 -3.1626 -3.1626 -3.0139 -3.0139 3.0660 3.0660 3.0881 3.0881 3.4946 3.4946 3.5243 3.5243 3.7500 3.7500 3.8576 3.8576 7.6313 7.6313 7.6431 7.6431 8.0916 8.0916 8.1062 8.1062 9.8440 9.8440 k = 0.3125 0.5000-0.0000 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9165 -18.9165 -18.9163 -18.9163 -18.7475 -18.7475 -18.7471 -18.7471 -18.7259 -18.7259 -18.7257 -18.7257 -15.7919 -15.7919 -15.7919 -15.7919 -6.3189 -6.3189 -6.3176 -6.3176 -4.6644 -4.6644 -4.6628 -4.6628 -3.4470 -3.4470 -3.3167 -3.3167 -3.1616 -3.1616 -3.0218 -3.0218 3.0716 3.0716 3.0966 3.0966 3.5027 3.5027 3.5258 3.5258 3.7467 3.7467 3.8485 3.8485 7.6513 7.6513 7.6618 7.6618 8.0747 8.0747 8.0888 8.0888 9.9077 9.9077 k = 0.3281 0.5000-0.0000 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9166 -18.9166 -18.9164 -18.9164 -18.7478 -18.7478 -18.7474 -18.7474 -18.7256 -18.7256 -18.7254 -18.7254 -15.7914 -15.7914 -15.7914 -15.7914 -6.3123 -6.3123 -6.3111 -6.3111 -4.6716 -4.6716 -4.6701 -4.6701 -3.4519 -3.4519 -3.3308 -3.3308 -3.1600 -3.1600 -3.0298 -3.0298 3.0769 3.0769 3.1041 3.1041 3.5106 3.5106 3.5276 3.5276 3.7441 3.7441 3.8392 3.8392 7.6722 7.6722 7.6812 7.6812 8.0584 8.0584 8.0721 8.0721 9.9694 9.9694 k = 0.3438 0.5000-0.0000 ( 16394 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9167 -18.9167 -18.9165 -18.9165 -18.7480 -18.7480 -18.7477 -18.7477 -18.7253 -18.7253 -18.7251 -18.7251 -15.7910 -15.7910 -15.7910 -15.7910 -6.3059 -6.3059 -6.3048 -6.3048 -4.6786 -4.6786 -4.6772 -4.6772 -3.4560 -3.4560 -3.3444 -3.3444 -3.1580 -3.1580 -3.0381 -3.0381 3.0821 3.0821 3.1107 3.1107 3.5179 3.5179 3.5292 3.5292 3.7424 3.7424 3.8301 3.8301 7.6936 7.6936 7.7012 7.7012 8.0430 8.0430 8.0562 8.0562 10.0279 10.0279 k = 0.3594 0.5000-0.0000 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9167 -18.9167 -18.9166 -18.9166 -18.7483 -18.7483 -18.7479 -18.7479 -18.7250 -18.7250 -18.7249 -18.7249 -15.7905 -15.7905 -15.7905 -15.7905 -6.2999 -6.2999 -6.2989 -6.2989 -4.6851 -4.6851 -4.6839 -4.6839 -3.4591 -3.4591 -3.3577 -3.3577 -3.1556 -3.1556 -3.0463 -3.0463 3.0871 3.0871 3.1163 3.1163 3.5242 3.5242 3.5306 3.5306 3.7417 3.7417 3.8213 3.8213 7.7150 7.7150 7.7211 7.7211 8.0286 8.0286 8.0412 8.0412 10.0820 10.0820 k = 0.3750 0.5000-0.0000 ( 16382 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9168 -18.9168 -18.9166 -18.9166 -18.7484 -18.7484 -18.7481 -18.7481 -18.7248 -18.7248 -18.7246 -18.7246 -15.7901 -15.7901 -15.7901 -15.7901 -6.2943 -6.2943 -6.2934 -6.2934 -4.6912 -4.6912 -4.6901 -4.6901 -3.4614 -3.4614 -3.3704 -3.3704 -3.1528 -3.1528 -3.0547 -3.0547 3.0921 3.0921 3.1209 3.1209 3.5294 3.5294 3.5315 3.5315 3.7420 3.7420 3.8131 3.8131 7.7359 7.7359 7.7407 7.7407 8.0153 8.0153 8.0272 8.0272 10.1309 10.1309 k = 0.3906 0.5000-0.0000 ( 16392 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9168 -18.9168 -18.9167 -18.9167 -18.7486 -18.7486 -18.7484 -18.7484 -18.7246 -18.7246 -18.7244 -18.7244 -15.7898 -15.7898 -15.7897 -15.7897 -6.2892 -6.2892 -6.2883 -6.2883 -4.6968 -4.6968 -4.6959 -4.6959 -3.4628 -3.4628 -3.3825 -3.3825 -3.1495 -3.1495 -3.0629 -3.0629 3.0971 3.0971 3.1247 3.1247 3.5319 3.5319 3.5333 3.5333 3.7435 3.7435 3.8056 3.8056 7.7560 7.7560 7.7594 7.7594 8.0032 8.0032 8.0143 8.0143 10.1738 10.1738 k = 0.4062 0.5000-0.0000 ( 16376 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9168 -18.9168 -18.7488 -18.7488 -18.7485 -18.7485 -18.7244 -18.7244 -18.7242 -18.7242 -15.7894 -15.7894 -15.7894 -15.7894 -6.2847 -6.2847 -6.2839 -6.2839 -4.7018 -4.7018 -4.7010 -4.7010 -3.4632 -3.4632 -3.3939 -3.3939 -3.1458 -3.1458 -3.0710 -3.0710 3.1020 3.1020 3.1275 3.1275 3.5319 3.5319 3.5358 3.5358 3.7459 3.7459 3.7989 3.7989 7.7747 7.7747 7.7769 7.7769 7.9925 7.9925 8.0026 8.0026 10.2104 10.2104 k = 0.4219 0.5000-0.0000 ( 16382 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9168 -18.9168 -18.7489 -18.7489 -18.7487 -18.7487 -18.7242 -18.7242 -18.7241 -18.7241 -15.7891 -15.7891 -15.7891 -15.7891 -6.2807 -6.2807 -6.2800 -6.2800 -4.7062 -4.7062 -4.7055 -4.7055 -3.4626 -3.4626 -3.4046 -3.4046 -3.1417 -3.1417 -3.0790 -3.0790 3.1068 3.1068 3.1295 3.1295 3.5318 3.5318 3.5372 3.5372 3.7491 3.7491 3.7930 3.7930 7.7915 7.7915 7.7927 7.7927 7.9831 7.9831 7.9923 7.9923 10.2407 10.2407 k = 0.4375 0.5000-0.0000 ( 16390 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7490 -18.7490 -18.7488 -18.7488 -18.7240 -18.7240 -18.7240 -18.7240 -15.7889 -15.7889 -15.7889 -15.7889 -6.2773 -6.2773 -6.2768 -6.2768 -4.7098 -4.7098 -4.7092 -4.7092 -3.4611 -3.4611 -3.4145 -3.4145 -3.1372 -3.1372 -3.0868 -3.0868 3.1114 3.1114 3.1305 3.1305 3.5316 3.5316 3.5375 3.5375 3.7529 3.7529 3.7876 3.7876 7.8060 7.8060 7.8064 7.8064 7.9754 7.9754 7.9832 7.9832 10.2649 10.2649 k = 0.4531 0.5000-0.0000 ( 16382 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7490 -18.7490 -18.7239 -18.7239 -18.7239 -18.7239 -15.7887 -15.7887 -15.7887 -15.7887 -6.2747 -6.2747 -6.2742 -6.2742 -4.7126 -4.7126 -4.7122 -4.7122 -3.4586 -3.4586 -3.4235 -3.4235 -3.1323 -3.1323 -3.0943 -3.0943 3.1157 3.1157 3.1307 3.1307 3.5316 3.5316 3.5370 3.5370 3.7570 3.7570 3.7828 3.7828 7.8177 7.8177 7.8178 7.8178 7.9694 7.9694 7.9757 7.9757 10.2834 10.2834 k = 0.4688 0.5000-0.0000 ( 16366 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7490 -18.7490 -18.7238 -18.7238 -18.7238 -18.7238 -15.7886 -15.7886 -15.7886 -15.7886 -6.2727 -6.2727 -6.2724 -6.2724 -4.7147 -4.7147 -4.7144 -4.7144 -3.4551 -3.4551 -3.4317 -3.4317 -3.1269 -3.1269 -3.1015 -3.1015 3.1197 3.1197 3.1300 3.1300 3.5319 3.5319 3.5359 3.5359 3.7612 3.7612 3.7783 3.7783 7.8262 7.8262 7.8265 7.8265 7.9653 7.9653 7.9697 7.9697 10.2965 10.2965 k = 0.4844 0.5000-0.0000 ( 16360 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2715 -6.2715 -6.2714 -6.2714 -4.7159 -4.7159 -4.7157 -4.7157 -3.4507 -3.4507 -3.4389 -3.4389 -3.1211 -3.1211 -3.1084 -3.1084 3.1233 3.1233 3.1285 3.1285 3.5325 3.5325 3.5347 3.5347 3.7655 3.7655 3.7740 3.7740 7.8316 7.8316 7.8318 7.8318 7.9633 7.9633 7.9656 7.9656 10.3046 10.3066 k = 0.5000 0.5000-0.0000 ( 16356 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2711 -6.2711 -6.2711 -6.2711 -4.7162 -4.7162 -4.7162 -4.7162 -3.4453 -3.4453 -3.4453 -3.4453 -3.1149 -3.1149 -3.1149 -3.1149 3.1262 3.1262 3.1262 3.1262 3.5335 3.5335 3.5335 3.5335 3.7698 3.7698 3.7698 3.7698 7.8335 7.8335 7.8335 7.8335 7.9634 7.9634 7.9634 7.9634 10.3079 10.3079 k = 0.5000 0.5000-0.0000 ( 16356 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2711 -6.2711 -6.2711 -6.2711 -4.7162 -4.7162 -4.7162 -4.7162 -3.4453 -3.4453 -3.4453 -3.4453 -3.1149 -3.1149 -3.1149 -3.1149 3.1262 3.1262 3.1262 3.1262 3.5335 3.5335 3.5335 3.5335 3.7698 3.7698 3.7698 3.7698 7.8335 7.8335 7.8335 7.8335 7.9634 7.9634 7.9634 7.9634 10.3079 10.3079 k = 0.4889 0.4889-0.0000 ( 16361 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7237 -18.7237 -15.7886 -15.7886 -15.7884 -15.7884 -6.2715 -6.2715 -6.2714 -6.2714 -4.7161 -4.7161 -4.7155 -4.7155 -3.4507 -3.4507 -3.4389 -3.4389 -3.1211 -3.1211 -3.1084 -3.1084 3.1231 3.1231 3.1286 3.1286 3.5325 3.5325 3.5347 3.5347 3.7655 3.7655 3.7740 3.7740 7.8300 7.8300 7.8334 7.8334 7.9621 7.9621 7.9668 7.9668 10.3046 10.3047 k = 0.4778 0.4778-0.0000 ( 16357 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7490 -18.7490 -18.7239 -18.7239 -18.7237 -18.7237 -15.7889 -15.7889 -15.7883 -15.7883 -6.2728 -6.2728 -6.2724 -6.2724 -4.7158 -4.7158 -4.7133 -4.7133 -3.4553 -3.4553 -3.4315 -3.4315 -3.1269 -3.1269 -3.1014 -3.1014 3.1186 3.1186 3.1311 3.1311 3.5318 3.5318 3.5359 3.5359 3.7614 3.7614 3.7782 3.7782 7.8197 7.8197 7.8330 7.8330 7.9592 7.9592 7.9760 7.9760 10.2965 10.2965 k = 0.4667 0.4667-0.0000 ( 16381 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9168 -18.9168 -18.7491 -18.7491 -18.7489 -18.7489 -18.7240 -18.7240 -18.7238 -18.7238 -15.7894 -15.7894 -15.7880 -15.7880 -6.2749 -6.2749 -6.2741 -6.2741 -4.7151 -4.7151 -4.7096 -4.7096 -3.4590 -3.4590 -3.4230 -3.4230 -3.1323 -3.1323 -3.0942 -3.0942 3.1125 3.1125 3.1342 3.1342 3.5312 3.5312 3.5370 3.5370 3.7578 3.7578 3.7822 3.7822 7.8035 7.8035 7.8323 7.8323 7.9541 7.9541 7.9910 7.9910 10.2838 10.2838 k = 0.4556 0.4556-0.0000 ( 16393 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9171 -18.9171 -18.9167 -18.9167 -18.7491 -18.7491 -18.7488 -18.7488 -18.7242 -18.7242 -18.7238 -18.7238 -15.7901 -15.7901 -15.7877 -15.7877 -6.2777 -6.2777 -6.2765 -6.2765 -4.7143 -4.7143 -4.7046 -4.7046 -3.4619 -3.4619 -3.4135 -3.4135 -3.1372 -3.1372 -3.0868 -3.0868 3.1048 3.1048 3.1381 3.1381 3.5301 3.5301 3.5379 3.5379 3.7550 3.7550 3.7861 3.7861 7.7824 7.7824 7.8315 7.8315 7.9467 7.9467 8.0116 8.0116 10.2667 10.2667 k = 0.4444 0.4444-0.0000 ( 16387 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9171 -18.9171 -18.9166 -18.9166 -18.7490 -18.7490 -18.7486 -18.7486 -18.7245 -18.7245 -18.7238 -18.7238 -15.7911 -15.7911 -15.7873 -15.7873 -6.2812 -6.2812 -6.2794 -6.2794 -4.7133 -4.7133 -4.6983 -4.6983 -3.4642 -3.4642 -3.4028 -3.4028 -3.1416 -3.1416 -3.0791 -3.0791 3.0958 3.0958 3.1429 3.1429 3.5275 3.5275 3.5391 3.5391 3.7533 3.7533 3.7899 3.7899 7.7577 7.7577 7.8305 7.8305 7.9370 7.9370 8.0369 8.0369 10.2453 10.2453 k = 0.4333 0.4333-0.0000 ( 16381 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9172 -18.9172 -18.9165 -18.9165 -18.7489 -18.7489 -18.7484 -18.7484 -18.7248 -18.7248 -18.7238 -18.7238 -15.7922 -15.7922 -15.7867 -15.7867 -6.2853 -6.2853 -6.2830 -6.2830 -4.7121 -4.7121 -4.6908 -4.6908 -3.4659 -3.4659 -3.3909 -3.3909 -3.1456 -3.1456 -3.0713 -3.0713 3.0858 3.0858 3.1485 3.1485 3.5225 3.5225 3.5411 3.5411 3.7530 3.7530 3.7938 3.7938 7.7310 7.7310 7.8294 7.8294 7.9251 7.9251 8.0663 8.0663 10.2199 10.2199 k = 0.4222 0.4222-0.0000 ( 16377 PWs) bands (ev): -46.8624 -46.8624 -46.8622 -46.8622 -18.9172 -18.9172 -18.9163 -18.9163 -18.7489 -18.7489 -18.7481 -18.7481 -18.7252 -18.7252 -18.7238 -18.7238 -15.7935 -15.7935 -15.7861 -15.7861 -6.2900 -6.2900 -6.2870 -6.2870 -4.7108 -4.7108 -4.6823 -4.6823 -3.4670 -3.4670 -3.3779 -3.3779 -3.1491 -3.1491 -3.0635 -3.0635 3.0753 3.0753 3.1551 3.1551 3.5151 3.5151 3.5439 3.5439 3.7539 3.7539 3.7976 3.7976 7.7036 7.7036 7.8282 7.8282 7.9113 7.9113 8.0987 8.0987 10.1908 10.1908 k = 0.4111 0.4111-0.0000 ( 16387 PWs) bands (ev): -46.8624 -46.8624 -46.8622 -46.8622 -18.9173 -18.9173 -18.9161 -18.9161 -18.7488 -18.7488 -18.7478 -18.7478 -18.7256 -18.7256 -18.7238 -18.7238 -15.7950 -15.7950 -15.7854 -15.7854 -6.2951 -6.2951 -6.2914 -6.2914 -4.7094 -4.7094 -4.6728 -4.6728 -3.4677 -3.4677 -3.3638 -3.3638 -3.1521 -3.1521 -3.0557 -3.0557 3.0645 3.0645 3.1625 3.1625 3.5055 3.5055 3.5474 3.5474 3.7557 3.7557 3.8015 3.8015 7.6769 7.6769 7.8270 7.8270 7.8958 7.8958 8.1331 8.1331 10.1584 10.1584 k = 0.4000 0.4000-0.0000 ( 16403 PWs) bands (ev): -46.8624 -46.8624 -46.8621 -46.8621 -18.9175 -18.9175 -18.9159 -18.9159 -18.7487 -18.7487 -18.7475 -18.7475 -18.7261 -18.7261 -18.7238 -18.7238 -15.7967 -15.7967 -15.7846 -15.7846 -6.3006 -6.3006 -6.2962 -6.2962 -4.7079 -4.7079 -4.6624 -4.6624 -3.4680 -3.4680 -3.3485 -3.3485 -3.1546 -3.1546 -3.0481 -3.0481 3.0540 3.0540 3.1707 3.1707 3.4941 3.4941 3.5516 3.5516 3.7581 3.7581 3.8054 3.8054 7.6523 7.6523 7.8256 7.8256 7.8790 7.8790 8.1683 8.1683 10.1230 10.1230 k = 0.3889 0.3889-0.0000 ( 16391 PWs) bands (ev): -46.8624 -46.8624 -46.8621 -46.8621 -18.9175 -18.9175 -18.9156 -18.9156 -18.7486 -18.7486 -18.7471 -18.7471 -18.7266 -18.7266 -18.7238 -18.7238 -15.7985 -15.7985 -15.7837 -15.7837 -6.3064 -6.3064 -6.3012 -6.3012 -4.7065 -4.7065 -4.6514 -4.6514 -3.4680 -3.4680 -3.3322 -3.3322 -3.1567 -3.1567 -3.0406 -3.0406 3.0439 3.0439 3.1795 3.1795 3.4817 3.4817 3.5564 3.5564 3.7604 3.7604 3.8095 3.8095 7.6310 7.6310 7.8241 7.8241 7.8614 7.8614 8.2032 8.2032 10.0849 10.0849 k = 0.3778 0.3778-0.0000 ( 16371 PWs) bands (ev): -46.8625 -46.8625 -46.8621 -46.8621 -18.9177 -18.9177 -18.9153 -18.9153 -18.7485 -18.7485 -18.7467 -18.7467 -18.7271 -18.7271 -18.7238 -18.7238 -15.8005 -15.8005 -15.7828 -15.7828 -6.3124 -6.3124 -6.3065 -6.3065 -4.7051 -4.7051 -4.6398 -4.6398 -3.4677 -3.4677 -3.3149 -3.3149 -3.1584 -3.1584 -3.0335 -3.0335 3.0345 3.0345 3.1890 3.1890 3.4689 3.4689 3.5618 3.5618 3.7621 3.7621 3.8138 3.8138 7.6139 7.6139 7.8218 7.8218 7.8440 7.8440 8.2368 8.2368 10.0438 10.0438 k = 0.3667 0.3667-0.0000 ( 16365 PWs) bands (ev): -46.8625 -46.8625 -46.8620 -46.8620 -18.9178 -18.9178 -18.9151 -18.9151 -18.7484 -18.7484 -18.7463 -18.7463 -18.7277 -18.7277 -18.7238 -18.7238 -15.8027 -15.8027 -15.7818 -15.7818 -6.3184 -6.3184 -6.3118 -6.3118 -4.7038 -4.7038 -4.6278 -4.6278 -3.4671 -3.4671 -3.2967 -3.2967 -3.1596 -3.1596 -3.0267 -3.0267 3.0262 3.0262 3.1988 3.1988 3.4564 3.4564 3.5678 3.5678 3.7625 3.7625 3.8184 3.8184 7.6020 7.6020 7.8153 7.8153 7.8305 7.8305 8.2680 8.2680 9.9965 9.9965 k = 0.3556 0.3556-0.0000 ( 16375 PWs) bands (ev): -46.8625 -46.8625 -46.8620 -46.8620 -18.9179 -18.9179 -18.9148 -18.9148 -18.7482 -18.7482 -18.7459 -18.7459 -18.7283 -18.7283 -18.7237 -18.7237 -15.8049 -15.8049 -15.7807 -15.7807 -6.3244 -6.3244 -6.3172 -6.3172 -4.7026 -4.7026 -4.6155 -4.6155 -3.4664 -3.4664 -3.2778 -3.2778 -3.1604 -3.1604 -3.0203 -3.0203 3.0192 3.0192 3.2088 3.2088 3.4449 3.4449 3.5743 3.5743 3.7611 3.7611 3.8234 3.8234 7.5956 7.5956 7.8003 7.8003 7.8256 7.8256 8.2960 8.2960 9.9123 9.9123 k = 0.3444 0.3444-0.0000 ( 16397 PWs) bands (ev): -46.8626 -46.8626 -46.8620 -46.8620 -18.9181 -18.9181 -18.9145 -18.9145 -18.7481 -18.7481 -18.7454 -18.7454 -18.7290 -18.7290 -18.7237 -18.7237 -15.8074 -15.8074 -15.7796 -15.7796 -6.3304 -6.3304 -6.3224 -6.3224 -4.7016 -4.7016 -4.6029 -4.6029 -3.4654 -3.4654 -3.2583 -3.2583 -3.1609 -3.1609 -3.0143 -3.0143 3.0136 3.0136 3.2189 3.2189 3.4351 3.4351 3.5813 3.5813 3.7577 3.7577 3.8290 3.8290 7.5948 7.5948 7.7832 7.7832 7.8237 7.8237 8.3203 8.3203 9.7808 9.7808 k = 0.3333 0.3333-0.0000 ( 16395 PWs) bands (ev): -46.8626 -46.8626 -46.8619 -46.8619 -18.9183 -18.9183 -18.9142 -18.9142 -18.7480 -18.7480 -18.7450 -18.7450 -18.7297 -18.7297 -18.7237 -18.7237 -15.8099 -15.8099 -15.7784 -15.7784 -6.3362 -6.3362 -6.3276 -6.3276 -4.7008 -4.7008 -4.5903 -4.5903 -3.4643 -3.4643 -3.2385 -3.2385 -3.1610 -3.1610 -3.0089 -3.0089 3.0096 3.0096 3.2287 3.2287 3.4277 3.4277 3.5887 3.5887 3.7521 3.7521 3.8352 3.8352 7.5988 7.5988 7.7677 7.7677 7.8222 7.8222 8.3406 8.3406 9.6494 9.6494 k = 0.3222 0.3222-0.0000 ( 16401 PWs) bands (ev): -46.8627 -46.8627 -46.8619 -46.8619 -18.9184 -18.9184 -18.9139 -18.9139 -18.7479 -18.7479 -18.7445 -18.7445 -18.7303 -18.7303 -18.7236 -18.7236 -15.8125 -15.8125 -15.7772 -15.7772 -6.3418 -6.3418 -6.3325 -6.3325 -4.7002 -4.7002 -4.5777 -4.5777 -3.4630 -3.4630 -3.2187 -3.2187 -3.1607 -3.1607 -3.0039 -3.0039 3.0075 3.0075 3.2380 3.2380 3.4231 3.4231 3.5964 3.5964 3.7444 3.7444 3.8419 3.8419 7.6052 7.6052 7.7568 7.7568 7.8207 7.8207 8.3568 8.3568 9.5201 9.5201 k = 0.3111 0.3111-0.0000 ( 16411 PWs) bands (ev): -46.8627 -46.8627 -46.8618 -46.8618 -18.9186 -18.9186 -18.9135 -18.9135 -18.7477 -18.7477 -18.7440 -18.7440 -18.7311 -18.7311 -18.7236 -18.7236 -15.8153 -15.8153 -15.7759 -15.7759 -6.3471 -6.3471 -6.3372 -6.3372 -4.6999 -4.6999 -4.5652 -4.5652 -3.4616 -3.4616 -3.1999 -3.1999 -3.1593 -3.1593 -2.9994 -2.9994 3.0072 3.0072 3.2467 3.2467 3.4218 3.4218 3.6040 3.6040 3.7351 3.7351 3.8493 3.8493 7.6093 7.6093 7.7554 7.7554 7.8186 7.8186 8.3690 8.3690 9.3940 9.3940 k = 0.3000 0.3000-0.0000 ( 16399 PWs) bands (ev): -46.8628 -46.8628 -46.8618 -46.8618 -18.9188 -18.9188 -18.9132 -18.9132 -18.7476 -18.7476 -18.7435 -18.7435 -18.7318 -18.7318 -18.7235 -18.7235 -15.8181 -15.8181 -15.7746 -15.7746 -6.3521 -6.3521 -6.3415 -6.3415 -4.6999 -4.6999 -4.5528 -4.5528 -3.4600 -3.4600 -3.1841 -3.1841 -3.1550 -3.1550 -2.9952 -2.9952 3.0091 3.0091 3.2545 3.2545 3.4241 3.4241 3.6112 3.6112 3.7247 3.7247 3.8571 3.8571 7.6058 7.6058 7.7686 7.7686 7.8158 7.8158 8.3777 8.3777 9.2720 9.2720 k = 0.2889 0.2889-0.0000 ( 16395 PWs) bands (ev): -46.8628 -46.8628 -46.8617 -46.8617 -18.9190 -18.9190 -18.9129 -18.9129 -18.7474 -18.7474 -18.7430 -18.7430 -18.7326 -18.7326 -18.7234 -18.7234 -15.8210 -15.8210 -15.7733 -15.7733 -6.3566 -6.3566 -6.3454 -6.3454 -4.7001 -4.7001 -4.5407 -4.5407 -3.4582 -3.4582 -3.1756 -3.1756 -3.1441 -3.1441 -2.9914 -2.9914 3.0131 3.0131 3.2618 3.2618 3.4298 3.4298 3.6170 3.6170 3.7145 3.7145 3.8655 3.8655 7.5928 7.5928 7.7952 7.7952 7.8143 7.8143 8.3831 8.3831 9.1553 9.1553 k = 0.2778 0.2778-0.0000 ( 16401 PWs) bands (ev): -46.8629 -46.8629 -46.8617 -46.8617 -18.9192 -18.9192 -18.9125 -18.9125 -18.7473 -18.7473 -18.7425 -18.7425 -18.7333 -18.7333 -18.7232 -18.7232 -15.8239 -15.8239 -15.7719 -15.7719 -6.3608 -6.3608 -6.3489 -6.3489 -4.7007 -4.7007 -4.5288 -4.5288 -3.4563 -3.4563 -3.1734 -3.1734 -3.1277 -3.1277 -2.9876 -2.9876 3.0192 3.0192 3.2686 3.2686 3.4387 3.4387 3.6198 3.6198 3.7064 3.7064 3.8743 3.8743 7.5725 7.5725 7.8001 7.8001 7.8460 7.8460 8.3858 8.3858 9.0449 9.0449 k = 0.2667 0.2667-0.0000 ( 16431 PWs) bands (ev): -46.8629 -46.8629 -46.8616 -46.8616 -18.9194 -18.9194 -18.9122 -18.9122 -18.7472 -18.7472 -18.7420 -18.7420 -18.7341 -18.7341 -18.7231 -18.7231 -15.8269 -15.8269 -15.7705 -15.7705 -6.3646 -6.3646 -6.3520 -6.3520 -4.7015 -4.7015 -4.5173 -4.5173 -3.4542 -3.4542 -3.1741 -3.1741 -3.1098 -3.1098 -2.9839 -2.9839 3.0276 3.0276 3.2753 3.2753 3.4504 3.4504 3.6178 3.6178 3.7029 3.7029 3.8834 3.8834 7.5469 7.5469 7.7900 7.7900 7.9003 7.9003 8.3863 8.3863 8.9422 8.9422 k = 0.2556 0.2556-0.0000 ( 16423 PWs) bands (ev): -46.8630 -46.8630 -46.8616 -46.8616 -18.9197 -18.9197 -18.9119 -18.9119 -18.7470 -18.7470 -18.7415 -18.7415 -18.7349 -18.7349 -18.7229 -18.7229 -15.8299 -15.8299 -15.7692 -15.7692 -6.3678 -6.3678 -6.3546 -6.3546 -4.7027 -4.7027 -4.5062 -4.5062 -3.4519 -3.4519 -3.1762 -3.1762 -3.0920 -3.0920 -2.9800 -2.9800 3.0380 3.0380 3.2824 3.2824 3.4645 3.4645 3.6103 3.6103 3.7051 3.7051 3.8930 3.8930 7.5172 7.5172 7.7745 7.7745 7.9645 7.9645 8.3848 8.3848 8.8489 8.8489 k = 0.2444 0.2444-0.0000 ( 16415 PWs) bands (ev): -46.8630 -46.8630 -46.8615 -46.8615 -18.9199 -18.9199 -18.9115 -18.9115 -18.7469 -18.7469 -18.7411 -18.7411 -18.7356 -18.7356 -18.7227 -18.7227 -15.8329 -15.8329 -15.7678 -15.7678 -6.3706 -6.3706 -6.3567 -6.3567 -4.7041 -4.7041 -4.4955 -4.4955 -3.4494 -3.4494 -3.1795 -3.1795 -3.0750 -3.0750 -2.9757 -2.9757 3.0504 3.0504 3.2900 3.2900 3.4805 3.4805 3.5986 3.5986 3.7122 3.7122 3.9028 3.9028 7.4840 7.4840 7.7528 7.7528 8.0367 8.0367 8.3818 8.3818 8.7666 8.7666 k = 0.2333 0.2333-0.0000 ( 16423 PWs) bands (ev): -46.8631 -46.8631 -46.8615 -46.8615 -18.9201 -18.9201 -18.9112 -18.9112 -18.7468 -18.7468 -18.7407 -18.7407 -18.7363 -18.7363 -18.7225 -18.7225 -15.8358 -15.8358 -15.7664 -15.7664 -6.3729 -6.3729 -6.3584 -6.3584 -4.7058 -4.7058 -4.4853 -4.4853 -3.4468 -3.4468 -3.1839 -3.1839 -3.0592 -3.0592 -2.9709 -2.9709 3.0644 3.0644 3.2983 3.2983 3.4979 3.4979 3.5853 3.5853 3.7226 3.7226 3.9128 3.9128 7.4474 7.4474 7.7237 7.7237 8.1159 8.1159 8.3774 8.3774 8.6967 8.6967 k = 0.2222 0.2222-0.0000 ( 16423 PWs) bands (ev): -46.8631 -46.8631 -46.8614 -46.8614 -18.9203 -18.9203 -18.9109 -18.9109 -18.7467 -18.7467 -18.7402 -18.7402 -18.7370 -18.7370 -18.7223 -18.7223 -15.8388 -15.8388 -15.7651 -15.7651 -6.3746 -6.3746 -6.3596 -6.3596 -4.7078 -4.7078 -4.4756 -4.4756 -3.4440 -3.4440 -3.1893 -3.1893 -3.0447 -3.0447 -2.9656 -2.9656 3.0797 3.0797 3.3074 3.3074 3.5163 3.5163 3.5724 3.5724 3.7351 3.7351 3.9230 3.9230 7.4072 7.4072 7.6863 7.6863 8.2007 8.2007 8.3717 8.3717 8.6406 8.6406 k = 0.2111 0.2111-0.0000 ( 16411 PWs) bands (ev): -46.8632 -46.8632 -46.8614 -46.8614 -18.9206 -18.9206 -18.9106 -18.9106 -18.7466 -18.7466 -18.7398 -18.7398 -18.7377 -18.7377 -18.7220 -18.7220 -15.8417 -15.8417 -15.7637 -15.7637 -6.3759 -6.3759 -6.3604 -6.3604 -4.7100 -4.7100 -4.4664 -4.4664 -3.4412 -3.4412 -3.1956 -3.1956 -3.0317 -3.0317 -2.9596 -2.9596 3.0956 3.0956 3.3174 3.3174 3.5342 3.5342 3.5623 3.5623 3.7490 3.7490 3.9332 3.9332 7.3635 7.3635 7.6405 7.6405 8.2902 8.2902 8.3647 8.3647 8.5988 8.5988 k = 0.2000 0.2000-0.0000 ( 16419 PWs) bands (ev): -46.8632 -46.8632 -46.8613 -46.8613 -18.9208 -18.9208 -18.9103 -18.9103 -18.7465 -18.7465 -18.7395 -18.7395 -18.7383 -18.7383 -18.7217 -18.7217 -15.8446 -15.8446 -15.7624 -15.7624 -6.3766 -6.3766 -6.3608 -6.3608 -4.7124 -4.7124 -4.4577 -4.4577 -3.4382 -3.4382 -3.2028 -3.2028 -3.0202 -3.0202 -2.9530 -2.9530 3.1112 3.1112 3.3283 3.3283 3.5439 3.5439 3.5641 3.5641 3.7639 3.7639 3.9433 3.9433 7.3161 7.3161 7.5868 7.5868 8.3565 8.3565 8.3824 8.3824 8.5714 8.5714 k = 0.1889 0.1889-0.0000 ( 16425 PWs) bands (ev): -46.8633 -46.8633 -46.8613 -46.8613 -18.9210 -18.9210 -18.9100 -18.9100 -18.7465 -18.7465 -18.7392 -18.7392 -18.7389 -18.7389 -18.7214 -18.7214 -15.8474 -15.8474 -15.7612 -15.7612 -6.3769 -6.3769 -6.3608 -6.3608 -4.7149 -4.7149 -4.4496 -4.4496 -3.4352 -3.4352 -3.2108 -3.2108 -3.0100 -3.0100 -2.9462 -2.9462 3.1255 3.1255 3.3405 3.3405 3.5424 3.5424 3.5817 3.5817 3.7796 3.7796 3.9533 3.9533 7.2649 7.2649 7.5265 7.5265 8.3473 8.3473 8.4725 8.4725 8.5601 8.5601 k = 0.1778 0.1778-0.0000 ( 16433 PWs) bands (ev): -46.8633 -46.8633 -46.8613 -46.8613 -18.9212 -18.9212 -18.9098 -18.9098 -18.7465 -18.7465 -18.7395 -18.7395 -18.7389 -18.7389 -18.7211 -18.7211 -15.8502 -15.8502 -15.7599 -15.7599 -6.3768 -6.3768 -6.3604 -6.3604 -4.7176 -4.7176 -4.4420 -4.4420 -3.4322 -3.4322 -3.2193 -3.2193 -3.0010 -3.0010 -2.9393 -2.9393 3.1372 3.1372 3.3544 3.3544 3.5428 3.5428 3.6025 3.6025 3.7959 3.7959 3.9629 3.9629 7.2101 7.2101 7.4615 7.4615 8.3380 8.3380 8.5282 8.5282 8.5718 8.5718 k = 0.1667 0.1667-0.0000 ( 16439 PWs) bands (ev): -46.8633 -46.8633 -46.8612 -46.8612 -18.9215 -18.9215 -18.9095 -18.9095 -18.7465 -18.7465 -18.7400 -18.7400 -18.7386 -18.7386 -18.7207 -18.7207 -15.8528 -15.8528 -15.7587 -15.7587 -6.3763 -6.3763 -6.3598 -6.3598 -4.7204 -4.7204 -4.4350 -4.4350 -3.4293 -3.4293 -3.2282 -3.2282 -2.9930 -2.9930 -2.9326 -2.9326 3.1452 3.1452 3.3705 3.3705 3.5477 3.5477 3.6242 3.6242 3.8125 3.8125 3.9721 3.9721 7.1517 7.1517 7.3934 7.3934 8.3296 8.3296 8.5391 8.5391 8.5590 8.5590 k = 0.1556 0.1556-0.0000 ( 16439 PWs) bands (ev): -46.8634 -46.8634 -46.8612 -46.8612 -18.9217 -18.9217 -18.9093 -18.9093 -18.7465 -18.7465 -18.7404 -18.7404 -18.7384 -18.7384 -18.7204 -18.7204 -15.8554 -15.8554 -15.7576 -15.7576 -6.3753 -6.3753 -6.3588 -6.3588 -4.7233 -4.7233 -4.4286 -4.4286 -3.4266 -3.4266 -3.2372 -3.2372 -2.9856 -2.9856 -2.9263 -2.9263 3.1491 3.1491 3.3889 3.3889 3.5573 3.5573 3.6465 3.6465 3.8294 3.8294 3.9808 3.9808 7.0901 7.0901 7.3239 7.3239 8.3235 8.3235 8.5396 8.5396 8.5602 8.5602 k = 0.1444 0.1444-0.0000 ( 16443 PWs) bands (ev): -46.8634 -46.8634 -46.8611 -46.8611 -18.9219 -18.9219 -18.9090 -18.9090 -18.7466 -18.7466 -18.7408 -18.7408 -18.7381 -18.7381 -18.7200 -18.7200 -15.8578 -15.8578 -15.7565 -15.7565 -6.3741 -6.3741 -6.3577 -6.3577 -4.7262 -4.7262 -4.4227 -4.4227 -3.4240 -3.4240 -3.2463 -3.2463 -2.9789 -2.9789 -2.9206 -2.9206 3.1488 3.1488 3.4096 3.4096 3.5711 3.5711 3.6695 3.6695 3.8464 3.8464 3.9888 3.9888 7.0257 7.0257 7.2546 7.2546 8.3211 8.3211 8.5360 8.5360 8.5760 8.5760 k = 0.1333 0.1333-0.0000 ( 16437 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9221 -18.9221 -18.9088 -18.9088 -18.7467 -18.7467 -18.7411 -18.7411 -18.7380 -18.7380 -18.7197 -18.7197 -15.8601 -15.8601 -15.7555 -15.7555 -6.3727 -6.3727 -6.3564 -6.3564 -4.7292 -4.7292 -4.4173 -4.4173 -3.4217 -3.4217 -3.2551 -3.2551 -2.9727 -2.9727 -2.9157 -2.9157 3.1451 3.1451 3.4319 3.4319 3.5880 3.5880 3.6933 3.6933 3.8635 3.8635 3.9962 3.9962 6.9591 6.9591 7.1866 7.1866 8.3233 8.3233 8.5361 8.5361 8.5976 8.5976 k = 0.1222 0.1222-0.0000 ( 16419 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9223 -18.9223 -18.9086 -18.9086 -18.7469 -18.7469 -18.7413 -18.7413 -18.7378 -18.7378 -18.7193 -18.7193 -15.8623 -15.8623 -15.7545 -15.7545 -6.3710 -6.3710 -6.3549 -6.3549 -4.7320 -4.7320 -4.4124 -4.4124 -3.4197 -3.4197 -3.2635 -3.2635 -2.9670 -2.9670 -2.9115 -2.9115 3.1388 3.1388 3.4551 3.4551 3.6069 3.6069 3.7181 3.7181 3.8806 3.8806 4.0029 4.0029 6.8909 6.8909 7.1210 7.1210 8.3305 8.3305 8.5406 8.5406 8.6226 8.6226 k = 0.1111 0.1111-0.0000 ( 16415 PWs) bands (ev): -46.8635 -46.8635 -46.8610 -46.8610 -18.9225 -18.9225 -18.9084 -18.9084 -18.7471 -18.7471 -18.7415 -18.7415 -18.7376 -18.7376 -18.7190 -18.7190 -15.8643 -15.8643 -15.7536 -15.7536 -6.3692 -6.3692 -6.3534 -6.3534 -4.7349 -4.7349 -4.4081 -4.4081 -3.4181 -3.4181 -3.2713 -3.2713 -2.9617 -2.9617 -2.9081 -2.9081 3.1309 3.1309 3.4785 3.4785 3.6261 3.6261 3.7441 3.7441 3.8976 3.8976 4.0092 4.0092 6.8222 6.8222 7.0586 7.0586 8.3424 8.3424 8.5495 8.5495 8.6361 8.6361 k = 0.1000 0.1000-0.0000 ( 16417 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9226 -18.9226 -18.9083 -18.9083 -18.7472 -18.7472 -18.7417 -18.7417 -18.7375 -18.7375 -18.7187 -18.7187 -15.8661 -15.8661 -15.7528 -15.7528 -6.3674 -6.3674 -6.3519 -6.3519 -4.7376 -4.7376 -4.4043 -4.4043 -3.4170 -3.4170 -3.2783 -3.2783 -2.9569 -2.9569 -2.9053 -2.9053 3.1221 3.1221 3.5016 3.5016 3.6442 3.6442 3.7711 3.7711 3.9144 3.9144 4.0151 4.0151 6.7538 6.7538 7.0002 7.0002 8.3582 8.3582 8.5625 8.5625 8.5855 8.5855 k = 0.0889 0.0889-0.0000 ( 16425 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9228 -18.9228 -18.9081 -18.9081 -18.7474 -18.7474 -18.7418 -18.7418 -18.7374 -18.7374 -18.7184 -18.7184 -15.8678 -15.8678 -15.7521 -15.7521 -6.3655 -6.3655 -6.3503 -6.3503 -4.7401 -4.7401 -4.4009 -4.4009 -3.4163 -3.4163 -3.2845 -3.2845 -2.9525 -2.9525 -2.9032 -2.9032 3.1131 3.1131 3.5240 3.5240 3.6602 3.6602 3.7986 3.7986 3.9308 3.9308 4.0212 4.0212 6.6870 6.6870 6.9464 6.9464 8.3763 8.3763 8.5320 8.5320 8.5842 8.5842 k = 0.0778 0.0778-0.0000 ( 16407 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9229 -18.9229 -18.9080 -18.9080 -18.7476 -18.7476 -18.7419 -18.7419 -18.7373 -18.7373 -18.7181 -18.7181 -15.8693 -15.8693 -15.7514 -15.7514 -6.3637 -6.3637 -6.3489 -6.3489 -4.7425 -4.7425 -4.3980 -4.3980 -3.4161 -3.4161 -3.2898 -3.2898 -2.9486 -2.9486 -2.9016 -2.9016 3.1044 3.1044 3.5455 3.5455 3.6732 3.6732 3.8254 3.8254 3.9462 3.9462 4.0283 4.0283 6.6230 6.6230 6.8977 6.8977 8.3948 8.3948 8.4858 8.4858 8.6104 8.6104 k = 0.0667 0.0667-0.0000 ( 16403 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9230 -18.9230 -18.9079 -18.9079 -18.7478 -18.7478 -18.7419 -18.7419 -18.7373 -18.7373 -18.7179 -18.7179 -15.8706 -15.8706 -15.7508 -15.7508 -6.3620 -6.3620 -6.3475 -6.3475 -4.7446 -4.7446 -4.3955 -4.3955 -3.4162 -3.4162 -3.2941 -3.2941 -2.9452 -2.9452 -2.9005 -2.9005 3.0963 3.0963 3.5660 3.5660 3.6831 3.6831 3.8501 3.8501 3.9598 3.9598 4.0372 4.0372 6.5632 6.5632 6.8545 6.8545 8.4119 8.4119 8.4452 8.4452 8.6439 8.6439 k = 0.0556 0.0556-0.0000 ( 16403 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9231 -18.9231 -18.9078 -18.9078 -18.7480 -18.7480 -18.7420 -18.7420 -18.7372 -18.7372 -18.7177 -18.7177 -15.8717 -15.8717 -15.7503 -15.7503 -6.3604 -6.3604 -6.3462 -6.3462 -4.7465 -4.7465 -4.3934 -4.3934 -3.4167 -3.4167 -3.2975 -3.2975 -2.9422 -2.9422 -2.8997 -2.8997 3.0890 3.0890 3.5852 3.5852 3.6896 3.6896 3.8718 3.8718 3.9704 3.9704 4.0486 4.0486 6.5092 6.5092 6.8173 6.8173 8.4099 8.4099 8.4269 8.4269 8.6839 8.6839 k = 0.0444 0.0444-0.0000 ( 16419 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9232 -18.9232 -18.9077 -18.9077 -18.7481 -18.7481 -18.7420 -18.7420 -18.7372 -18.7372 -18.7175 -18.7175 -15.8727 -15.8727 -15.7499 -15.7499 -6.3591 -6.3591 -6.3452 -6.3452 -4.7481 -4.7481 -4.3917 -4.3917 -3.4172 -3.4172 -3.3002 -3.3002 -2.9398 -2.9398 -2.8991 -2.8991 3.0829 3.0829 3.6029 3.6029 3.6931 3.6931 3.8897 3.8897 3.9776 3.9776 4.0621 4.0621 6.4623 6.4623 6.7864 6.7864 8.3813 8.3813 8.4384 8.4384 8.7278 8.7278 k = 0.0333 0.0333-0.0000 ( 16415 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9076 -18.9076 -18.7482 -18.7482 -18.7420 -18.7420 -18.7371 -18.7371 -18.7173 -18.7173 -15.8734 -15.8734 -15.7496 -15.7496 -6.3580 -6.3580 -6.3443 -6.3443 -4.7493 -4.7493 -4.3905 -4.3905 -3.4178 -3.4178 -3.3021 -3.3021 -2.9380 -2.9380 -2.8988 -2.8988 3.0779 3.0779 3.6187 3.6187 3.6939 3.6939 3.9036 3.9036 3.9818 3.9818 4.0758 4.0758 6.4240 6.4240 6.7620 6.7620 8.3588 8.3588 8.4471 8.4471 8.7710 8.7710 k = 0.0222 0.0222-0.0000 ( 16423 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9076 -18.9076 -18.7483 -18.7483 -18.7420 -18.7420 -18.7371 -18.7371 -18.7173 -18.7173 -15.8739 -15.8739 -15.7494 -15.7494 -6.3572 -6.3572 -6.3437 -6.3437 -4.7502 -4.7502 -4.3896 -4.3896 -3.4184 -3.4184 -3.3034 -3.3034 -2.9366 -2.9366 -2.8986 -2.8986 3.0744 3.0744 3.6319 3.6319 3.6925 3.6925 3.9135 3.9135 3.9841 3.9841 4.0874 4.0874 6.3956 6.3956 6.7445 6.7445 8.3427 8.3427 8.4531 8.4531 8.8066 8.8067 k = 0.0111 0.0111-0.0000 ( 16429 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9076 -18.9076 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8742 -15.8742 -15.7492 -15.7492 -6.3568 -6.3568 -6.3433 -6.3433 -4.7508 -4.7508 -4.3890 -4.3890 -3.4187 -3.4187 -3.3041 -3.3041 -2.9358 -2.9358 -2.8985 -2.8985 3.0722 3.0722 3.6412 3.6412 3.6903 3.6903 3.9195 3.9195 3.9851 3.9851 4.0953 4.0953 6.3782 6.3782 6.7339 6.7339 8.3329 8.3329 8.4566 8.4566 8.8287 8.8287 k = 0.0000 0.0000 0.0000 ( 16427 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8743 -15.8743 -15.7492 -15.7492 -6.3566 -6.3566 -6.3431 -6.3431 -4.7510 -4.7510 -4.3888 -4.3888 -3.4189 -3.4189 -3.3044 -3.3044 -2.9356 -2.9356 -2.8985 -2.8985 3.0714 3.0714 3.6447 3.6447 3.6891 3.6891 3.9216 3.9216 3.9853 3.9853 4.0980 4.0980 6.3722 6.3722 6.7303 6.7303 8.3297 8.3297 8.4577 8.4577 8.8357 8.8357 k = 0.0000 0.0000 0.0000 ( 16427 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8743 -15.8743 -15.7492 -15.7492 -6.3566 -6.3566 -6.3431 -6.3431 -4.7510 -4.7510 -4.3888 -4.3888 -3.4189 -3.4189 -3.3044 -3.3044 -2.9356 -2.9356 -2.8985 -2.8985 3.0714 3.0714 3.6447 3.6447 3.6891 3.6891 3.9216 3.9216 3.9853 3.9853 4.0980 4.0980 6.3722 6.3722 6.7303 6.7303 8.3297 8.3297 8.4577 8.4577 8.8357 8.8357 k = 0.0000 0.0000 0.0154 ( 16435 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8743 -15.8743 -15.7492 -15.7492 -6.3617 -6.3617 -6.3382 -6.3382 -4.7509 -4.7509 -4.3887 -4.3887 -3.4187 -3.4187 -3.3043 -3.3043 -2.9353 -2.9353 -2.8985 -2.8985 3.0676 3.0676 3.6444 3.6444 3.6889 3.6889 3.9199 3.9199 3.9854 3.9854 4.0997 4.0997 6.3776 6.3776 6.7311 6.7311 8.3268 8.3268 8.4622 8.4622 8.8373 8.8373 k = 0.0000 0.0000 0.0309 ( 16435 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9076 -18.9076 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8743 -15.8743 -15.7492 -15.7492 -6.3705 -6.3705 -6.3299 -6.3299 -4.7507 -4.7507 -4.3883 -4.3883 -3.4181 -3.4181 -3.3043 -3.3043 -2.9345 -2.9345 -2.8986 -2.8986 3.0564 3.0564 3.6434 3.6434 3.6884 3.6884 3.9153 3.9153 3.9855 3.9855 4.1046 4.1046 6.3936 6.3936 6.7333 6.7333 8.3184 8.3184 8.4754 8.4754 8.8421 8.8421 k = 0.0000 0.0000 0.0463 ( 16427 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8742 -15.8742 -15.7493 -15.7493 -6.3799 -6.3799 -6.3212 -6.3212 -4.7504 -4.7504 -4.3877 -4.3877 -3.4171 -3.4171 -3.3041 -3.3041 -2.9333 -2.9333 -2.8987 -2.8987 3.0384 3.0384 3.6413 3.6413 3.6876 3.6876 3.9081 3.9081 3.9857 3.9857 4.1121 4.1121 6.4200 6.4200 6.7371 6.7371 8.3046 8.3046 8.4968 8.4968 8.8500 8.8500 k = 0.0000 0.0000 0.0617 ( 16439 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9076 -18.9076 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8742 -15.8742 -15.7494 -15.7494 -6.3895 -6.3895 -6.3128 -6.3128 -4.7499 -4.7499 -4.3869 -4.3869 -3.4158 -3.4158 -3.3040 -3.3040 -2.9315 -2.9315 -2.8989 -2.8989 3.0146 3.0146 3.6380 3.6380 3.6865 3.6865 3.8991 3.8991 3.9860 3.9860 4.1216 4.1216 6.4563 6.4563 6.7423 6.7423 8.2860 8.2860 8.5253 8.5253 8.8609 8.8609 k = 0.0000 0.0000 0.0771 ( 16431 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8741 -15.8741 -15.7494 -15.7494 -6.3990 -6.3990 -6.3046 -6.3046 -4.7494 -4.7494 -4.3859 -4.3859 -3.4142 -3.4142 -3.3038 -3.3038 -2.9293 -2.9293 -2.8991 -2.8991 2.9859 2.9859 3.6334 3.6334 3.6849 3.6849 3.8889 3.8889 3.9866 3.9866 4.1324 4.1324 6.5019 6.5019 6.7488 6.7488 8.2631 8.2631 8.5588 8.5588 8.8746 8.8746 k = 0.0000 0.0000 0.0926 ( 16415 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8740 -15.8740 -15.7495 -15.7495 -6.4084 -6.4084 -6.2968 -6.2968 -4.7487 -4.7487 -4.3847 -4.3847 -3.4123 -3.4123 -3.3036 -3.3036 -2.9268 -2.9268 -2.8994 -2.8994 2.9535 2.9535 3.6276 3.6276 3.6824 3.6824 3.8780 3.8780 3.9875 3.9875 4.1440 4.1440 6.5560 6.5560 6.7567 6.7567 8.2367 8.2367 8.5931 8.5931 8.8909 8.8909 k = 0.0000 0.0000 0.1080 ( 16399 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7171 -18.7171 -15.8738 -15.8738 -15.7496 -15.7496 -6.4175 -6.4175 -6.2894 -6.2894 -4.7479 -4.7479 -4.3834 -4.3834 -3.4102 -3.4102 -3.3033 -3.3033 -2.9240 -2.9240 -2.8997 -2.8997 2.9185 2.9185 3.6210 3.6210 3.6787 3.6787 3.8668 3.8668 3.9889 3.9889 4.1560 4.1560 6.6179 6.6179 6.7657 6.7657 8.2075 8.2075 8.6202 8.6202 8.9088 8.9088 k = 0.0000 0.0000 0.1234 ( 16395 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7370 -18.7370 -18.7171 -18.7171 -15.8737 -15.8737 -15.7498 -15.7498 -6.4262 -6.4262 -6.2826 -6.2826 -4.7471 -4.7471 -4.3820 -4.3820 -3.4079 -3.4079 -3.3030 -3.3030 -2.9209 -2.9209 -2.9000 -2.9000 2.8821 2.8821 3.6139 3.6139 3.6734 3.6734 3.8557 3.8557 3.9907 3.9907 4.1680 4.1680 6.6865 6.6865 6.7757 6.7757 8.1762 8.1762 8.6264 8.6264 8.9259 8.9259 k = 0.0000 0.0000 0.1388 ( 16399 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7370 -18.7370 -18.7171 -18.7171 -15.8736 -15.8736 -15.7499 -15.7499 -6.4346 -6.4346 -6.2762 -6.2762 -4.7462 -4.7462 -4.3805 -4.3805 -3.4054 -3.4054 -3.3028 -3.3028 -2.9176 -2.9176 -2.9003 -2.9003 2.8452 2.8452 3.6066 3.6066 3.6666 3.6666 3.8448 3.8448 3.9930 3.9930 4.1798 4.1798 6.7610 6.7610 6.7865 6.7865 8.1436 8.1436 8.6022 8.6022 8.9487 8.9487 k = 0.0000 0.0000 0.1543 ( 16412 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7370 -18.7370 -18.7171 -18.7171 -15.8734 -15.8734 -15.7500 -15.7500 -6.4425 -6.4425 -6.2704 -6.2704 -4.7453 -4.7453 -4.3790 -4.3790 -3.4029 -3.4029 -3.3025 -3.3025 -2.9143 -2.9143 -2.9007 -2.9007 2.8087 2.8087 3.5994 3.5994 3.6584 3.6584 3.8344 3.8344 3.9958 3.9958 4.1911 4.1911 6.7981 6.7981 6.8406 6.8406 8.1105 8.1105 8.5531 8.5531 8.9791 8.9791 k = 0.0000 0.0000 0.1697 ( 16416 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7370 -18.7370 -18.7171 -18.7171 -15.8733 -15.8733 -15.7501 -15.7501 -6.4498 -6.4498 -6.2651 -6.2651 -4.7444 -4.7444 -4.3775 -4.3775 -3.4003 -3.4003 -3.3022 -3.3022 -2.9109 -2.9109 -2.9010 -2.9010 2.7734 2.7734 3.5924 3.5924 3.6490 3.6490 3.8247 3.8247 3.9990 3.9990 4.2018 4.2018 6.8100 6.8100 6.9242 6.9242 8.0777 8.0777 8.4896 8.4896 9.0090 9.0090 k = 0.0000 0.0000 0.1851 ( 16420 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7171 -18.7171 -15.8732 -15.8732 -15.7503 -15.7503 -6.4565 -6.4565 -6.2604 -6.2604 -4.7435 -4.7435 -4.3760 -4.3760 -3.3978 -3.3978 -3.3019 -3.3019 -2.9076 -2.9076 -2.9013 -2.9013 2.7400 2.7400 3.5860 3.5860 3.6388 3.6388 3.8157 3.8157 4.0024 4.0024 4.2116 4.2116 6.8220 6.8220 7.0110 7.0110 8.0458 8.0458 8.4182 8.4182 9.0383 9.0383 k = 0.0000 0.0000 0.2005 ( 16436 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7172 -18.7172 -15.8730 -15.8730 -15.7504 -15.7504 -6.4626 -6.4626 -6.2562 -6.2562 -4.7427 -4.7427 -4.3746 -4.3746 -3.3954 -3.3954 -3.3016 -3.3016 -2.9045 -2.9045 -2.9017 -2.9017 2.7091 2.7091 3.5803 3.5803 3.6283 3.6283 3.8075 3.8075 4.0058 4.0058 4.2206 4.2206 6.8339 6.8339 7.1003 7.1003 8.0155 8.0155 8.3421 8.3421 9.0673 9.0673 k = 0.0000 0.0000 0.2160 ( 16436 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7171 -18.7171 -15.8729 -15.8729 -15.7505 -15.7505 -6.4680 -6.4680 -6.2526 -6.2526 -4.7419 -4.7419 -4.3733 -4.3733 -3.3932 -3.3932 -3.3013 -3.3013 -2.9019 -2.9019 -2.9016 -2.9016 2.6813 2.6813 3.5754 3.5754 3.6179 3.6179 3.8003 3.8003 4.0092 4.0092 4.2286 4.2286 6.8452 6.8452 7.1914 7.1914 7.9876 7.9876 8.2626 8.2626 9.0956 9.0956 k = 0.0000 0.0000 0.2314 ( 16436 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7171 -18.7171 -15.8728 -15.8728 -15.7506 -15.7506 -6.4726 -6.4726 -6.2496 -6.2496 -4.7411 -4.7411 -4.3722 -4.3722 -3.3912 -3.3912 -3.3011 -3.3011 -2.9022 -2.9022 -2.8990 -2.8990 2.6571 2.6571 3.5714 3.5714 3.6079 3.6079 3.7941 3.7941 4.0123 4.0123 4.2355 4.2355 6.8557 6.8557 7.2836 7.2836 7.9627 7.9627 8.1806 8.1806 9.1222 9.1222 k = 0.0000 0.0000 0.2468 ( 16412 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7370 -18.7370 -18.7171 -18.7171 -15.8727 -15.8727 -15.7507 -15.7507 -6.4764 -6.4764 -6.2471 -6.2471 -4.7405 -4.7405 -4.3713 -4.3713 -3.3895 -3.3895 -3.3009 -3.3009 -2.9024 -2.9024 -2.8968 -2.8968 2.6367 2.6367 3.5685 3.5685 3.5988 3.5988 3.7889 3.7889 4.0151 4.0151 4.2413 4.2413 6.8650 6.8650 7.3763 7.3763 7.9413 7.9413 8.0966 8.0966 9.1463 9.1463 k = 0.0000 0.0000 0.2622 ( 16400 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7171 -18.7171 -15.8726 -15.8726 -15.7507 -15.7507 -6.4794 -6.4794 -6.2452 -6.2452 -4.7400 -4.7400 -4.3705 -4.3705 -3.3882 -3.3882 -3.3008 -3.3008 -2.9026 -2.9026 -2.8950 -2.8950 2.6205 2.6205 3.5667 3.5667 3.5908 3.5908 3.7849 3.7849 4.0173 4.0173 4.2458 4.2458 6.8726 6.8726 7.4692 7.4692 7.9240 7.9240 8.0109 8.0109 9.1666 9.1666 k = 0.0000 0.0000 0.2777 ( 16404 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7421 -18.7421 -18.7371 -18.7371 -18.7171 -18.7171 -15.8726 -15.8726 -15.7508 -15.7508 -6.4816 -6.4816 -6.2438 -6.2438 -4.7397 -4.7397 -4.3699 -4.3699 -3.3872 -3.3872 -3.3006 -3.3006 -2.9027 -2.9027 -2.8937 -2.8937 2.6088 2.6088 3.5659 3.5659 3.5844 3.5844 3.7820 3.7820 4.0190 4.0190 4.2491 4.2491 6.8784 6.8784 7.5617 7.5617 7.9113 7.9113 7.9235 7.9235 9.1820 9.1820 k = 0.0000 0.0000 0.2931 ( 16376 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7171 -18.7171 -15.8726 -15.8726 -15.7508 -15.7508 -6.4829 -6.4829 -6.2430 -6.2430 -4.7395 -4.7395 -4.3696 -4.3696 -3.3865 -3.3865 -3.3006 -3.3006 -2.9028 -2.9028 -2.8929 -2.8929 2.6017 2.6017 3.5660 3.5660 3.5799 3.5799 3.7802 3.7802 4.0200 4.0200 4.2510 4.2510 6.8819 6.8819 7.6537 7.6537 7.8348 7.8348 7.9035 7.9035 9.1918 9.1918 k = 0.0000 0.0000 0.3085 ( 16364 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7171 -18.7171 -15.8725 -15.8725 -15.7508 -15.7508 -6.4833 -6.4833 -6.2427 -6.2427 -4.7394 -4.7394 -4.3695 -4.3695 -3.3863 -3.3863 -3.3005 -3.3005 -2.9028 -2.9028 -2.8927 -2.8927 2.5994 2.5994 3.5661 3.5661 3.5783 3.5783 3.7796 3.7796 4.0203 4.0203 4.2517 4.2517 6.8831 6.8831 7.7424 7.7424 7.7472 7.7472 7.9009 7.9009 9.1951 9.1951 k = 0.0000 0.0000 0.3085 ( 16364 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7171 -18.7171 -15.8725 -15.8725 -15.7508 -15.7508 -6.4833 -6.4833 -6.2427 -6.2427 -4.7394 -4.7394 -4.3695 -4.3695 -3.3863 -3.3863 -3.3006 -3.3006 -2.9028 -2.9028 -2.8927 -2.8927 2.5994 2.5994 3.5661 3.5661 3.5783 3.5783 3.7796 3.7796 4.0203 4.0203 4.2517 4.2517 6.8831 6.8831 7.7424 7.7424 7.7472 7.7472 7.9009 7.9009 9.1951 9.1951 k = 0.0000 0.0156 0.3085 ( 16378 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7171 -18.7171 -15.8724 -15.8724 -15.7509 -15.7509 -6.4834 -6.4834 -6.2430 -6.2430 -4.7392 -4.7392 -4.3696 -4.3696 -3.3862 -3.3862 -3.3003 -3.3003 -2.9029 -2.9029 -2.8929 -2.8929 2.6001 2.6001 3.5449 3.5449 3.5951 3.5951 3.7811 3.7811 4.0191 4.0191 4.2497 4.2497 6.8863 6.8863 7.7448 7.7448 7.7497 7.7497 7.9047 7.9047 9.1926 9.1926 k = 0.0000 0.0312 0.3085 ( 16400 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7483 -18.7483 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8721 -15.8721 -15.7510 -15.7510 -6.4835 -6.4835 -6.2438 -6.2438 -4.7385 -4.7385 -4.3701 -4.3701 -3.3857 -3.3857 -3.2996 -3.2996 -2.9031 -2.9031 -2.8938 -2.8938 2.6022 2.6022 3.5148 3.5148 3.6122 3.6122 3.7854 3.7854 4.0155 4.0155 4.2438 4.2438 6.8958 6.8958 7.7519 7.7519 7.7573 7.7573 7.9159 7.9159 9.1850 9.1850 k = 0.0000 0.0469 0.3085 ( 16404 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9076 -18.9076 -18.7483 -18.7483 -18.7420 -18.7420 -18.7371 -18.7371 -18.7173 -18.7173 -15.8716 -15.8716 -15.7512 -15.7512 -6.4836 -6.4836 -6.2453 -6.2453 -4.7375 -4.7375 -4.3709 -4.3709 -3.3850 -3.3850 -3.2985 -3.2985 -2.9033 -2.9033 -2.8953 -2.8953 2.6057 2.6057 3.4813 3.4813 3.6247 3.6247 3.7917 3.7917 4.0096 4.0096 4.2343 4.2343 6.9115 6.9115 7.7633 7.7633 7.7698 7.7698 7.9348 7.9348 9.1724 9.1724 k = 0.0000 0.0625 0.3085 ( 16424 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9232 -18.9232 -18.9077 -18.9077 -18.7481 -18.7481 -18.7420 -18.7420 -18.7372 -18.7372 -18.7175 -18.7175 -15.8709 -15.8709 -15.7515 -15.7515 -6.4838 -6.4838 -6.2473 -6.2473 -4.7360 -4.7360 -4.3720 -4.3720 -3.3839 -3.3839 -3.2969 -3.2969 -2.9037 -2.9037 -2.8973 -2.8973 2.6105 2.6105 3.4451 3.4451 3.6328 3.6328 3.7992 3.7992 4.0017 4.0017 4.2215 4.2215 6.9333 6.9333 7.7784 7.7784 7.7870 7.7870 7.9611 7.9611 9.1550 9.1550 k = 0.0000 0.0781 0.3085 ( 16424 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9232 -18.9232 -18.9078 -18.9078 -18.7480 -18.7480 -18.7420 -18.7420 -18.7372 -18.7372 -18.7177 -18.7177 -15.8700 -15.8700 -15.7519 -15.7519 -6.4840 -6.4840 -6.2499 -6.2499 -4.7341 -4.7341 -4.3734 -4.3734 -3.3825 -3.3825 -3.2948 -3.2948 -2.9042 -2.9042 -2.8999 -2.8999 2.6167 2.6167 3.4067 3.4067 3.6372 3.6372 3.8063 3.8063 3.9923 3.9923 4.2059 4.2059 6.9610 6.9610 7.7966 7.7966 7.8085 7.8085 7.9947 7.9947 9.1333 9.1333 k = 0.0000 0.0938 0.3085 ( 16432 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9231 -18.9231 -18.9079 -18.9079 -18.7478 -18.7478 -18.7420 -18.7420 -18.7373 -18.7373 -18.7179 -18.7179 -15.8689 -15.8689 -15.7524 -15.7524 -6.4842 -6.4842 -6.2530 -6.2530 -4.7317 -4.7317 -4.3751 -4.3751 -3.3808 -3.3808 -3.2923 -3.2923 -2.9050 -2.9050 -2.9030 -2.9030 2.6240 2.6240 3.3667 3.3667 3.6387 3.6387 3.8112 3.8112 3.9820 3.9820 4.1883 4.1883 6.9944 6.9944 7.8177 7.8177 7.8336 7.8336 8.0354 8.0354 9.1086 9.1086 k = 0.0000 0.1094 0.3085 ( 16436 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9229 -18.9229 -18.9080 -18.9080 -18.7476 -18.7476 -18.7420 -18.7420 -18.7373 -18.7373 -18.7182 -18.7182 -15.8677 -15.8677 -15.7530 -15.7530 -6.4845 -6.4845 -6.2567 -6.2567 -4.7289 -4.7289 -4.3771 -4.3771 -3.3788 -3.3788 -3.2893 -3.2893 -2.9071 -2.9071 -2.9054 -2.9054 2.6324 2.6324 3.3254 3.3254 3.6378 3.6378 3.8122 3.8122 3.9719 3.9719 4.1691 4.1691 7.0332 7.0332 7.8411 7.8411 7.8616 7.8616 8.0824 8.0824 9.0824 9.0824 k = 0.0000 0.1250 0.3085 ( 16420 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9228 -18.9228 -18.9081 -18.9081 -18.7473 -18.7473 -18.7419 -18.7419 -18.7374 -18.7374 -18.7184 -18.7184 -15.8662 -15.8662 -15.7536 -15.7536 -6.4847 -6.4847 -6.2609 -6.2609 -4.7257 -4.7257 -4.3795 -4.3795 -3.3765 -3.3765 -3.2859 -3.2859 -2.9112 -2.9112 -2.9065 -2.9065 2.6419 2.6419 3.2833 3.2833 3.6353 3.6353 3.8076 3.8076 3.9632 3.9632 4.1489 4.1489 7.0770 7.0770 7.8666 7.8666 7.8917 7.8917 8.1350 8.1350 9.0558 9.0558 k = 0.0000 0.1406 0.3085 ( 16426 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9226 -18.9226 -18.9082 -18.9082 -18.7471 -18.7471 -18.7419 -18.7419 -18.7374 -18.7374 -18.7188 -18.7188 -15.8646 -15.8646 -15.7544 -15.7544 -6.4850 -6.4850 -6.2656 -6.2656 -4.7220 -4.7220 -4.3821 -4.3821 -3.3738 -3.3738 -3.2821 -3.2821 -2.9159 -2.9159 -2.9077 -2.9077 2.6521 2.6521 3.2407 3.2407 3.6314 3.6314 3.7966 3.7966 3.9565 3.9565 4.1284 4.1284 7.1255 7.1255 7.8938 7.8938 7.9230 7.9230 8.1921 8.1921 9.0301 9.0301 k = 0.0000 0.1562 0.3085 ( 16410 PWs) bands (ev): -46.8635 -46.8635 -46.8610 -46.8610 -18.9224 -18.9224 -18.9084 -18.9084 -18.7467 -18.7467 -18.7419 -18.7419 -18.7375 -18.7375 -18.7192 -18.7192 -15.8628 -15.8628 -15.7552 -15.7552 -6.4851 -6.4851 -6.2707 -6.2707 -4.7179 -4.7179 -4.3852 -4.3852 -3.3707 -3.3707 -3.2780 -3.2780 -2.9211 -2.9211 -2.9091 -2.9091 2.6631 2.6631 3.1981 3.1981 3.6265 3.6265 3.7793 3.7793 3.9516 3.9516 4.1080 4.1080 7.1783 7.1783 7.9222 7.9222 7.9547 7.9547 8.2526 8.2526 9.0060 9.0060 k = 0.0000 0.1719 0.3085 ( 16426 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9222 -18.9222 -18.9086 -18.9086 -18.7464 -18.7464 -18.7418 -18.7418 -18.7376 -18.7376 -18.7196 -18.7196 -15.8608 -15.8608 -15.7562 -15.7562 -6.4853 -6.4853 -6.2764 -6.2764 -4.7133 -4.7133 -4.3885 -4.3885 -3.3673 -3.3673 -3.2734 -3.2734 -2.9267 -2.9267 -2.9108 -2.9108 2.6745 2.6745 3.1557 3.1557 3.6209 3.6209 3.7568 3.7568 3.9475 3.9475 4.0881 4.0881 7.2350 7.2350 7.9513 7.9513 7.9860 7.9860 8.3149 8.3149 8.9842 8.9842 k = 0.0000 0.1875 0.3085 ( 16422 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9220 -18.9220 -18.9088 -18.9088 -18.7460 -18.7460 -18.7418 -18.7418 -18.7377 -18.7377 -18.7200 -18.7200 -15.8587 -15.8587 -15.7573 -15.7573 -6.4853 -6.4853 -6.2824 -6.2824 -4.7083 -4.7083 -4.3922 -4.3922 -3.3635 -3.3635 -3.2685 -3.2685 -2.9328 -2.9328 -2.9127 -2.9127 2.6862 2.6862 3.1139 3.1139 3.6148 3.6148 3.7307 3.7307 3.9428 3.9428 4.0692 4.0692 7.2950 7.2950 7.9806 7.9806 8.0164 8.0164 8.3775 8.3775 8.9652 8.9652 k = 0.0000 0.2031 0.3085 ( 16440 PWs) bands (ev): -46.8634 -46.8634 -46.8611 -46.8611 -18.9218 -18.9218 -18.9090 -18.9090 -18.7456 -18.7456 -18.7418 -18.7418 -18.7378 -18.7378 -18.7205 -18.7205 -15.8564 -15.8564 -15.7584 -15.7584 -6.4852 -6.4852 -6.2889 -6.2889 -4.7028 -4.7028 -4.3962 -4.3962 -3.3593 -3.3593 -3.2632 -3.2632 -2.9392 -2.9392 -2.9149 -2.9149 2.6979 2.6979 3.0730 3.0730 3.6080 3.6080 3.7027 3.7027 3.9365 3.9365 4.0518 4.0518 7.3577 7.3577 8.0095 8.0095 8.0455 8.0455 8.4386 8.4386 8.9493 8.9493 k = 0.0000 0.2188 0.3085 ( 16428 PWs) bands (ev): -46.8634 -46.8634 -46.8612 -46.8612 -18.9216 -18.9216 -18.9092 -18.9092 -18.7452 -18.7452 -18.7417 -18.7417 -18.7379 -18.7379 -18.7210 -18.7210 -15.8540 -15.8540 -15.7597 -15.7597 -6.4850 -6.4850 -6.2957 -6.2957 -4.6969 -4.6969 -4.4006 -4.4006 -3.3547 -3.3547 -3.2577 -3.2577 -2.9459 -2.9459 -2.9173 -2.9173 2.7092 2.7092 3.0334 3.0334 3.6007 3.6007 3.6743 3.6743 3.9275 3.9275 4.0361 4.0361 7.4224 7.4224 8.0371 8.0371 8.0731 8.0731 8.4963 8.4963 8.9369 8.9369 k = 0.0000 0.2344 0.3085 ( 16444 PWs) bands (ev): -46.8633 -46.8633 -46.8612 -46.8612 -18.9213 -18.9213 -18.9095 -18.9095 -18.7447 -18.7447 -18.7417 -18.7417 -18.7380 -18.7380 -18.7215 -18.7215 -15.8515 -15.8515 -15.7610 -15.7610 -6.4846 -6.4846 -6.3028 -6.3028 -4.6906 -4.6906 -4.4053 -4.4053 -3.3497 -3.3497 -3.2520 -3.2520 -2.9529 -2.9529 -2.9201 -2.9201 2.7197 2.7197 2.9953 2.9953 3.5920 3.5920 3.6474 3.6474 3.9155 3.9155 4.0221 4.0221 7.4882 7.4882 8.0628 8.0628 8.0992 8.0992 8.5489 8.5489 8.9281 8.9281 k = 0.0000 0.2500 0.3085 ( 16424 PWs) bands (ev): -46.8633 -46.8633 -46.8613 -46.8613 -18.9210 -18.9210 -18.9097 -18.9097 -18.7442 -18.7442 -18.7416 -18.7416 -18.7381 -18.7381 -18.7221 -18.7221 -15.8488 -15.8488 -15.7625 -15.7625 -6.4841 -6.4841 -6.3102 -6.3102 -4.6838 -4.6838 -4.4104 -4.4104 -3.3444 -3.3444 -3.2461 -3.2461 -2.9601 -2.9601 -2.9233 -2.9233 2.7292 2.7292 2.9591 2.9591 3.5807 3.5807 3.6246 3.6246 3.9008 3.9008 4.0095 4.0095 7.5540 7.5540 8.0860 8.0860 8.1244 8.1244 8.5947 8.5947 8.9231 8.9231 k = 0.0000 0.2656 0.3085 ( 16422 PWs) bands (ev): -46.8632 -46.8632 -46.8613 -46.8613 -18.9207 -18.9207 -18.9100 -18.9100 -18.7437 -18.7437 -18.7415 -18.7415 -18.7382 -18.7382 -18.7227 -18.7227 -15.8461 -15.8461 -15.7640 -15.7640 -6.4833 -6.4833 -6.3179 -6.3179 -4.6766 -4.6766 -4.4158 -4.4158 -3.3386 -3.3386 -3.2401 -3.2401 -2.9674 -2.9674 -2.9267 -2.9267 2.7371 2.7371 2.9250 2.9250 3.5649 3.5649 3.6086 3.6086 3.8837 3.8837 3.9977 3.9977 7.6187 7.6187 8.1060 8.1060 8.1492 8.1492 8.6329 8.6329 8.9220 8.9220 k = 0.0000 0.2812 0.3085 ( 16434 PWs) bands (ev): -46.8632 -46.8632 -46.8614 -46.8614 -18.9204 -18.9204 -18.9103 -18.9103 -18.7432 -18.7432 -18.7414 -18.7414 -18.7384 -18.7384 -18.7233 -18.7233 -15.8432 -15.8432 -15.7657 -15.7657 -6.4823 -6.4823 -6.3257 -6.3257 -4.6690 -4.6690 -4.4216 -4.4216 -3.3325 -3.3325 -3.2340 -3.2340 -2.9748 -2.9748 -2.9305 -2.9305 2.7430 2.7430 2.8933 2.8933 3.5462 3.5462 3.5988 3.5988 3.8649 3.8649 3.9859 3.9859 7.6810 7.6810 8.1223 8.1223 8.1745 8.1745 8.6630 8.6630 8.9248 8.9248 k = 0.0000 0.2969 0.3085 ( 16430 PWs) bands (ev): -46.8631 -46.8631 -46.8614 -46.8614 -18.9201 -18.9201 -18.9106 -18.9106 -18.7427 -18.7427 -18.7413 -18.7413 -18.7385 -18.7385 -18.7240 -18.7240 -15.8403 -15.8403 -15.7675 -15.7675 -6.4810 -6.4810 -6.3338 -6.3338 -4.6611 -4.6611 -4.4278 -4.4278 -3.3259 -3.3259 -3.2281 -3.2281 -2.9821 -2.9821 -2.9347 -2.9347 2.7463 2.7463 2.8644 2.8644 3.5279 3.5279 3.5928 3.5928 3.8451 3.8451 3.9737 3.9737 7.7393 7.7393 8.1349 8.1349 8.2012 8.2012 8.6852 8.6852 8.9315 8.9315 k = 0.0000 0.3125 0.3085 ( 16430 PWs) bands (ev): -46.8631 -46.8631 -46.8615 -46.8615 -18.9198 -18.9198 -18.9109 -18.9109 -18.7421 -18.7421 -18.7412 -18.7412 -18.7386 -18.7386 -18.7246 -18.7246 -15.8373 -15.8373 -15.7694 -15.7694 -6.4795 -6.4795 -6.3419 -6.3419 -4.6528 -4.6528 -4.4343 -4.4343 -3.3190 -3.3190 -3.2224 -3.2224 -2.9893 -2.9893 -2.9392 -2.9392 2.7466 2.7466 2.8386 2.8386 3.5120 3.5120 3.5890 3.5890 3.8248 3.8248 3.9607 3.9607 7.7925 7.7925 8.1438 8.1438 8.2300 8.2300 8.6999 8.6999 8.9422 8.9422 k = 0.0000 0.3281 0.3085 ( 16434 PWs) bands (ev): -46.8630 -46.8630 -46.8615 -46.8615 -18.9194 -18.9194 -18.9112 -18.9112 -18.7417 -18.7417 -18.7410 -18.7410 -18.7387 -18.7387 -18.7253 -18.7253 -15.8342 -15.8342 -15.7714 -15.7714 -6.4776 -6.4776 -6.3501 -6.3501 -4.6442 -4.6442 -4.4412 -4.4412 -3.3118 -3.3118 -3.2170 -3.2170 -2.9961 -2.9961 -2.9441 -2.9441 2.7435 2.7435 2.8164 2.8164 3.4996 3.4996 3.5869 3.5869 3.8043 3.8043 3.9465 3.9465 7.8394 7.8394 8.1492 8.1492 8.2612 8.2612 8.7078 8.7078 8.9567 8.9567 k = 0.0000 0.3438 0.3085 ( 16436 PWs) bands (ev): -46.8629 -46.8629 -46.8616 -46.8616 -18.9191 -18.9191 -18.9116 -18.9116 -18.7414 -18.7414 -18.7406 -18.7406 -18.7389 -18.7389 -18.7260 -18.7260 -15.8311 -15.8311 -15.7735 -15.7735 -6.4754 -6.4754 -6.3584 -6.3584 -4.6352 -4.6352 -4.4484 -4.4484 -3.3042 -3.3042 -3.2122 -3.2122 -3.0024 -3.0024 -2.9492 -2.9492 2.7370 2.7370 2.7977 2.7977 3.4911 3.4911 3.5862 3.5862 3.7842 3.7842 3.9312 3.9312 7.8797 7.8797 8.1514 8.1514 8.2947 8.2947 8.7097 8.7097 8.9751 8.9751 k = 0.0000 0.3594 0.3085 ( 16418 PWs) bands (ev): -46.8629 -46.8629 -46.8617 -46.8617 -18.9187 -18.9187 -18.9119 -18.9119 -18.7412 -18.7412 -18.7400 -18.7400 -18.7389 -18.7389 -18.7267 -18.7267 -15.8280 -15.8280 -15.7756 -15.7756 -6.4729 -6.4729 -6.3666 -6.3666 -4.6260 -4.6260 -4.4560 -4.4560 -3.2963 -3.2963 -3.2080 -3.2080 -3.0081 -3.0081 -2.9547 -2.9547 2.7278 2.7278 2.7822 2.7822 3.4865 3.4865 3.5867 3.5867 3.7647 3.7647 3.9147 3.9147 7.9136 7.9136 8.1508 8.1508 8.3296 8.3296 8.7065 8.7065 8.9974 8.9974 k = 0.0000 0.3750 0.3085 ( 16410 PWs) bands (ev): -46.8628 -46.8628 -46.8617 -46.8617 -18.9184 -18.9184 -18.9122 -18.9122 -18.7411 -18.7411 -18.7395 -18.7395 -18.7389 -18.7389 -18.7274 -18.7274 -15.8248 -15.8248 -15.7779 -15.7779 -6.4700 -6.4700 -6.3748 -6.3748 -4.6166 -4.6166 -4.4639 -4.4639 -3.2882 -3.2882 -3.2047 -3.2047 -3.0129 -3.0129 -2.9605 -2.9605 2.7173 2.7173 2.7688 2.7688 3.4856 3.4856 3.5882 3.5882 3.7464 3.7464 3.8970 3.8970 7.9420 7.9420 8.1478 8.1478 8.3647 8.3647 8.6991 8.6991 9.0233 9.0233 k = 0.0000 0.3906 0.3085 ( 16402 PWs) bands (ev): -46.8628 -46.8628 -46.8618 -46.8618 -18.9180 -18.9180 -18.9126 -18.9126 -18.7410 -18.7410 -18.7394 -18.7394 -18.7385 -18.7385 -18.7281 -18.7281 -15.8216 -15.8216 -15.7803 -15.7803 -6.4668 -6.4668 -6.3828 -6.3828 -4.6070 -4.6070 -4.4722 -4.4722 -3.2799 -3.2799 -3.2025 -3.2025 -3.0167 -3.0167 -2.9664 -2.9664 2.7070 2.7070 2.7564 2.7564 3.4881 3.4881 3.5904 3.5904 3.7299 3.7299 3.8783 3.8783 7.9659 7.9659 8.1429 8.1429 8.3990 8.3990 8.6886 8.6886 9.0529 9.0529 k = 0.0000 0.4062 0.3085 ( 16392 PWs) bands (ev): -46.8627 -46.8627 -46.8619 -46.8619 -18.9176 -18.9176 -18.9129 -18.9129 -18.7408 -18.7408 -18.7395 -18.7395 -18.7379 -18.7379 -18.7289 -18.7289 -15.8184 -15.8184 -15.7828 -15.7828 -6.4631 -6.4631 -6.3907 -6.3907 -4.5972 -4.5972 -4.4807 -4.4807 -3.2715 -3.2715 -3.2015 -3.2015 -3.0193 -3.0193 -2.9726 -2.9726 2.6979 2.6979 2.7444 2.7444 3.4933 3.4933 3.5926 3.5926 3.7161 3.7161 3.8588 3.8588 7.9863 7.9863 8.1363 8.1363 8.4314 8.4314 8.6756 8.6756 9.0861 9.0861 k = 0.0000 0.4219 0.3085 ( 16380 PWs) bands (ev): -46.8626 -46.8626 -46.8619 -46.8619 -18.9172 -18.9172 -18.9133 -18.9133 -18.7407 -18.7407 -18.7396 -18.7396 -18.7372 -18.7372 -18.7296 -18.7296 -15.8152 -15.8152 -15.7854 -15.7854 -6.4591 -6.4591 -6.3984 -6.3984 -4.5872 -4.5872 -4.4896 -4.4896 -3.2630 -3.2630 -3.2019 -3.2019 -3.0205 -3.0205 -2.9788 -2.9788 2.6907 2.6907 2.7328 2.7328 3.5009 3.5009 3.5935 3.5935 3.7063 3.7063 3.8386 3.8386 8.0042 8.0042 8.1283 8.1283 8.4613 8.4613 8.6610 8.6610 9.1226 9.1226 k = 0.0000 0.4375 0.3085 ( 16396 PWs) bands (ev): -46.8626 -46.8626 -46.8620 -46.8620 -18.9168 -18.9168 -18.9137 -18.9137 -18.7406 -18.7406 -18.7397 -18.7397 -18.7365 -18.7365 -18.7304 -18.7304 -15.8120 -15.8120 -15.7881 -15.7881 -6.4547 -6.4547 -6.4059 -6.4059 -4.5772 -4.5772 -4.4987 -4.4987 -3.2545 -3.2545 -3.2037 -3.2037 -3.0204 -3.0204 -2.9851 -2.9851 2.6858 2.6858 2.7218 2.7218 3.5102 3.5102 3.5919 3.5919 3.7019 3.7019 3.8180 3.8180 8.0203 8.0203 8.1191 8.1191 8.4885 8.4885 8.6453 8.6453 9.1625 9.1625 k = 0.0000 0.4531 0.3085 ( 16396 PWs) bands (ev): -46.8625 -46.8625 -46.8621 -46.8621 -18.9164 -18.9164 -18.9141 -18.9141 -18.7405 -18.7405 -18.7398 -18.7398 -18.7357 -18.7357 -18.7312 -18.7312 -15.8088 -15.8088 -15.7909 -15.7909 -6.4499 -6.4499 -6.4132 -6.4132 -4.5672 -4.5672 -4.5080 -4.5080 -3.2462 -3.2462 -3.2069 -3.2069 -3.0190 -3.0190 -2.9913 -2.9913 2.6831 2.6831 2.7115 2.7115 3.5208 3.5208 3.5868 3.5868 3.7038 3.7038 3.7973 3.7973 8.0351 8.0351 8.1091 8.1091 8.5133 8.5133 8.6288 8.6288 9.2056 9.2056 k = 0.0000 0.4688 0.3085 ( 16384 PWs) bands (ev): -46.8624 -46.8624 -46.8621 -46.8621 -18.9160 -18.9160 -18.9145 -18.9145 -18.7404 -18.7404 -18.7399 -18.7399 -18.7350 -18.7350 -18.7319 -18.7319 -15.8057 -15.8057 -15.7937 -15.7937 -6.4447 -6.4447 -6.4201 -6.4201 -4.5571 -4.5571 -4.5175 -4.5175 -3.2381 -3.2381 -3.2113 -3.2113 -3.0163 -3.0163 -2.9973 -2.9973 2.6827 2.6827 2.7024 2.7024 3.5323 3.5323 3.5785 3.5785 3.7116 3.7116 3.7771 3.7771 8.0489 8.0489 8.0983 8.0983 8.5358 8.5358 8.6117 8.6117 9.2518 9.2518 k = 0.0000 0.4844 0.3085 ( 16386 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9156 -18.9156 -18.9148 -18.9148 -18.7403 -18.7403 -18.7401 -18.7401 -18.7342 -18.7342 -18.7327 -18.7327 -15.8026 -15.8026 -15.7966 -15.7966 -6.4391 -6.4391 -6.4268 -6.4268 -4.5471 -4.5471 -4.5272 -4.5272 -3.2304 -3.2304 -3.2168 -3.2168 -3.0127 -3.0127 -3.0030 -3.0030 2.6846 2.6846 2.6947 2.6947 3.5443 3.5443 3.5680 3.5680 3.7240 3.7240 3.7576 3.7576 8.0621 8.0621 8.0868 8.0868 8.5565 8.5565 8.5941 8.5941 9.3008 9.3008 k = 0.0000 0.5000 0.3085 ( 16392 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4331 -6.4331 -6.4331 -6.4331 -4.5371 -4.5371 -4.5371 -4.5371 -3.2233 -3.2233 -3.2233 -3.2233 -3.0081 -3.0081 -3.0081 -3.0081 2.6887 2.6887 2.6887 2.6887 3.5563 3.5563 3.5563 3.5563 3.7397 3.7397 3.7397 3.7397 8.0747 8.0747 8.0747 8.0747 8.5758 8.5758 8.5758 8.5758 9.3526 9.3526 k = 0.0000 0.5000 0.3085 ( 16392 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4331 -6.4331 -6.4331 -6.4331 -4.5371 -4.5371 -4.5371 -4.5371 -3.2233 -3.2233 -3.2233 -3.2233 -3.0081 -3.0081 -3.0081 -3.0081 2.6887 2.6887 2.6887 2.6887 3.5563 3.5563 3.5563 3.5563 3.7397 3.7397 3.7397 3.7397 8.0747 8.0747 8.0747 8.0747 8.5758 8.5758 8.5758 8.5758 9.3526 9.3526 k = 0.0156 0.5000 0.3085 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9152 -18.9152 -18.7403 -18.7403 -18.7402 -18.7402 -18.7335 -18.7335 -18.7334 -18.7334 -15.7996 -15.7996 -15.7996 -15.7996 -6.4328 -6.4328 -6.4327 -6.4327 -4.5375 -4.5375 -4.5374 -4.5374 -3.2319 -3.2319 -3.2151 -3.2151 -3.0176 -3.0176 -2.9997 -2.9997 2.6869 2.6869 2.6912 2.6912 3.5549 3.5549 3.5584 3.5584 3.7363 3.7363 3.7432 3.7432 8.0734 8.0734 8.0753 8.0753 8.5732 8.5732 8.5758 8.5758 9.3575 9.3581 k = 0.0312 0.5000 0.3085 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9152 -18.9152 -18.7405 -18.7405 -18.7403 -18.7403 -18.7334 -18.7334 -18.7332 -18.7332 -15.7995 -15.7995 -15.7995 -15.7995 -6.4319 -6.4319 -6.4317 -6.4317 -4.5386 -4.5386 -4.5384 -4.5384 -3.2411 -3.2411 -3.2076 -3.2076 -3.0279 -3.0279 -2.9922 -2.9922 2.6857 2.6857 2.6943 2.6943 3.5541 3.5541 3.5612 3.5612 3.7331 3.7331 3.7467 3.7467 8.0714 8.0714 8.0751 8.0751 8.5683 8.5683 8.5735 8.5735 9.3713 9.3715 k = 0.0469 0.5000 0.3085 ( 16408 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7408 -18.7408 -18.7405 -18.7405 -18.7331 -18.7331 -18.7329 -18.7329 -15.7994 -15.7994 -15.7994 -15.7994 -6.4304 -6.4304 -6.4301 -6.4301 -4.5403 -4.5403 -4.5402 -4.5402 -3.2508 -3.2508 -3.2007 -3.2007 -3.0390 -3.0390 -2.9857 -2.9857 2.6851 2.6851 2.6980 2.6980 3.5536 3.5536 3.5648 3.5648 3.7304 3.7304 3.7501 3.7501 8.0687 8.0687 8.0741 8.0741 8.5620 8.5620 8.5696 8.5696 9.3943 9.3944 k = 0.0625 0.5000 0.3085 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7411 -18.7411 -18.7407 -18.7407 -18.7328 -18.7328 -18.7325 -18.7325 -15.7992 -15.7992 -15.7992 -15.7992 -6.4282 -6.4282 -6.4279 -6.4279 -4.5428 -4.5428 -4.5425 -4.5425 -3.2608 -3.2608 -3.1945 -3.1945 -3.0509 -3.0509 -2.9803 -2.9803 2.6852 2.6852 2.7025 2.7025 3.5533 3.5533 3.5693 3.5693 3.7281 3.7281 3.7531 3.7531 8.0651 8.0651 8.0722 8.0722 8.5553 8.5553 8.5651 8.5651 9.4250 9.4250 k = 0.0781 0.5000 0.3085 ( 16400 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9154 -18.9154 -18.9153 -18.9153 -18.7415 -18.7415 -18.7411 -18.7411 -18.7325 -18.7325 -18.7321 -18.7321 -15.7989 -15.7989 -15.7989 -15.7989 -6.4255 -6.4255 -6.4250 -6.4250 -4.5459 -4.5459 -4.5456 -4.5456 -3.2711 -3.2711 -3.1890 -3.1890 -3.0633 -3.0633 -2.9760 -2.9760 2.6859 2.6859 2.7076 2.7076 3.5532 3.5532 3.5747 3.5747 3.7262 3.7262 3.7556 3.7556 8.0607 8.0607 8.0693 8.0693 8.5493 8.5493 8.5611 8.5611 9.4618 9.4618 k = 0.0938 0.5000 0.3085 ( 16400 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9154 -18.9154 -18.9153 -18.9153 -18.7419 -18.7419 -18.7414 -18.7414 -18.7321 -18.7321 -18.7317 -18.7317 -15.7987 -15.7987 -15.7987 -15.7987 -6.4221 -6.4221 -6.4216 -6.4216 -4.5496 -4.5496 -4.5493 -4.5493 -3.2817 -3.2817 -3.1842 -3.1842 -3.0763 -3.0763 -2.9727 -2.9727 2.6873 2.6873 2.7135 2.7135 3.5531 3.5531 3.5811 3.5811 3.7249 3.7249 3.7574 3.7574 8.0554 8.0554 8.0653 8.0653 8.5452 8.5452 8.5589 8.5589 9.5031 9.5031 k = 0.1094 0.5000 0.3085 ( 16408 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9155 -18.9155 -18.9154 -18.9154 -18.7424 -18.7424 -18.7419 -18.7419 -18.7317 -18.7317 -18.7313 -18.7313 -15.7983 -15.7983 -15.7983 -15.7983 -6.4182 -6.4182 -6.4176 -6.4176 -4.5540 -4.5540 -4.5537 -4.5537 -3.2925 -3.2925 -3.1803 -3.1803 -3.0896 -3.0896 -2.9705 -2.9705 2.6893 2.6893 2.7200 2.7200 3.5527 3.5527 3.5885 3.5885 3.7242 3.7242 3.7583 3.7583 8.0494 8.0494 8.0604 8.0604 8.5438 8.5438 8.5592 8.5592 9.5468 9.5468 k = 0.1250 0.5000 0.3085 ( 16408 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9156 -18.9156 -18.9154 -18.9154 -18.7428 -18.7428 -18.7423 -18.7423 -18.7312 -18.7312 -18.7308 -18.7308 -15.7980 -15.7980 -15.7980 -15.7980 -6.4138 -6.4138 -6.4131 -6.4131 -4.5590 -4.5590 -4.5586 -4.5586 -3.3034 -3.3034 -3.1774 -3.1774 -3.1030 -3.1030 -2.9694 -2.9694 2.6921 2.6921 2.7274 2.7274 3.5520 3.5520 3.5966 3.5966 3.7240 3.7240 3.7583 3.7583 8.0428 8.0428 8.0547 8.0547 8.5459 8.5459 8.5629 8.5629 9.5908 9.5908 k = 0.1406 0.5000 0.3085 ( 16408 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9156 -18.9156 -18.9155 -18.9155 -18.7433 -18.7433 -18.7427 -18.7427 -18.7307 -18.7307 -18.7303 -18.7303 -15.7976 -15.7976 -15.7976 -15.7976 -6.4089 -6.4089 -6.4081 -6.4081 -4.5645 -4.5645 -4.5641 -4.5641 -3.3142 -3.3142 -3.1758 -3.1758 -3.1161 -3.1161 -2.9692 -2.9692 2.6956 2.6956 2.7355 2.7355 3.5508 3.5508 3.6055 3.6055 3.7245 3.7245 3.7571 3.7571 8.0358 8.0358 8.0484 8.0484 8.5518 8.5518 8.5703 8.5703 9.6319 9.6319 k = 0.1562 0.5000 0.3085 ( 16408 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9157 -18.9157 -18.9156 -18.9156 -18.7437 -18.7437 -18.7432 -18.7432 -18.7303 -18.7303 -18.7298 -18.7298 -15.7971 -15.7971 -15.7971 -15.7971 -6.4035 -6.4035 -6.4027 -6.4027 -4.5705 -4.5705 -4.5701 -4.5701 -3.3251 -3.3251 -3.1762 -3.1762 -3.1280 -3.1280 -2.9701 -2.9701 2.7000 2.7000 2.7443 2.7443 3.5487 3.5487 3.6150 3.6150 3.7255 3.7255 3.7547 3.7547 8.0289 8.0289 8.0419 8.0419 8.5620 8.5620 8.5818 8.5818 9.6667 9.6667 k = 0.1719 0.5000 0.3085 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9158 -18.9158 -18.9156 -18.9156 -18.7442 -18.7442 -18.7436 -18.7436 -18.7298 -18.7298 -18.7294 -18.7294 -15.7967 -15.7967 -15.7967 -15.7967 -6.3978 -6.3978 -6.3969 -6.3969 -4.5770 -4.5770 -4.5766 -4.5766 -3.3357 -3.3357 -3.1796 -3.1796 -3.1375 -3.1375 -2.9719 -2.9719 2.7052 2.7052 2.7540 2.7540 3.5458 3.5458 3.6248 3.6248 3.7273 3.7273 3.7511 3.7511 8.0223 8.0223 8.0355 8.0355 8.5763 8.5763 8.5975 8.5975 9.6917 9.6917 k = 0.1875 0.5000 0.3085 ( 16416 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9159 -18.9159 -18.9157 -18.9157 -18.7446 -18.7446 -18.7440 -18.7440 -18.7293 -18.7293 -18.7289 -18.7289 -15.7962 -15.7962 -15.7962 -15.7962 -6.3916 -6.3916 -6.3907 -6.3907 -4.5839 -4.5839 -4.5835 -4.5835 -3.3462 -3.3462 -3.1872 -3.1872 -3.1435 -3.1435 -2.9746 -2.9746 2.7112 2.7112 2.7645 2.7645 3.5416 3.5416 3.6347 3.6347 3.7297 3.7297 3.7464 3.7464 8.0166 8.0166 8.0297 8.0297 8.5948 8.5948 8.6172 8.6172 9.7053 9.7053 k = 0.2031 0.5000 0.3085 ( 16432 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9160 -18.9160 -18.9158 -18.9158 -18.7450 -18.7450 -18.7445 -18.7445 -18.7288 -18.7288 -18.7285 -18.7285 -15.7957 -15.7957 -15.7956 -15.7956 -6.3852 -6.3852 -6.3842 -6.3842 -4.5911 -4.5911 -4.5907 -4.5907 -3.3564 -3.3564 -3.1984 -3.1984 -3.1463 -3.1463 -2.9782 -2.9782 2.7182 2.7182 2.7758 2.7758 3.5362 3.5362 3.6440 3.6440 3.7328 3.7328 3.7409 3.7409 8.0120 8.0120 8.0248 8.0248 8.6174 8.6174 8.6409 8.6409 9.7084 9.7084 k = 0.2188 0.5000 0.3085 ( 16428 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9160 -18.9160 -18.9159 -18.9159 -18.7454 -18.7454 -18.7449 -18.7449 -18.7284 -18.7284 -18.7280 -18.7280 -15.7951 -15.7951 -15.7951 -15.7951 -6.3785 -6.3785 -6.3774 -6.3774 -4.5987 -4.5987 -4.5983 -4.5983 -3.3662 -3.3662 -3.2117 -3.2117 -3.1473 -3.1473 -2.9825 -2.9825 2.7262 2.7262 2.7880 2.7880 3.5293 3.5293 3.6519 3.6519 3.7353 3.7353 3.7365 3.7365 8.0088 8.0088 8.0211 8.0211 8.6439 8.6439 8.6684 8.6684 9.7034 9.7034 k = 0.2344 0.5000 0.3085 ( 16428 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9161 -18.9161 -18.9159 -18.9159 -18.7458 -18.7458 -18.7453 -18.7453 -18.7279 -18.7279 -18.7276 -18.7276 -15.7946 -15.7946 -15.7946 -15.7946 -6.3716 -6.3716 -6.3705 -6.3705 -4.6065 -4.6065 -4.6061 -4.6061 -3.3756 -3.3756 -3.2260 -3.2260 -3.1473 -3.1473 -2.9874 -2.9874 2.7352 2.7352 2.8010 2.8010 3.5209 3.5209 3.6571 3.6571 3.7307 3.7307 3.7409 3.7409 8.0073 8.0073 8.0189 8.0189 8.6741 8.6741 8.6996 8.6996 9.6929 9.6929 k = 0.2500 0.5000 0.3085 ( 16420 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9162 -18.9162 -18.9160 -18.9160 -18.7462 -18.7462 -18.7457 -18.7457 -18.7275 -18.7275 -18.7272 -18.7272 -15.7940 -15.7940 -15.7940 -15.7940 -6.3645 -6.3645 -6.3634 -6.3634 -4.6145 -4.6145 -4.6141 -4.6141 -3.3844 -3.3844 -3.2408 -3.2408 -3.1469 -3.1469 -2.9930 -2.9930 2.7453 2.7453 2.8148 2.8148 3.5109 3.5109 3.6577 3.6577 3.7289 3.7289 3.7457 3.7457 8.0077 8.0077 8.0185 8.0185 8.7079 8.7079 8.7342 8.7342 9.6788 9.6788 k = 0.2656 0.5000 0.3085 ( 16440 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9163 -18.9163 -18.9161 -18.9161 -18.7466 -18.7466 -18.7461 -18.7461 -18.7271 -18.7271 -18.7268 -18.7268 -15.7935 -15.7935 -15.7935 -15.7935 -6.3574 -6.3574 -6.3563 -6.3563 -4.6225 -4.6225 -4.6222 -4.6222 -3.3928 -3.3928 -3.2558 -3.2558 -3.1463 -3.1463 -2.9991 -2.9991 2.7564 2.7564 2.8294 2.8294 3.4995 3.4995 3.6524 3.6524 3.7310 3.7310 3.7510 3.7510 8.0101 8.0101 8.0198 8.0198 8.7449 8.7449 8.7721 8.7721 9.6625 9.6625 k = 0.2812 0.5000 0.3085 ( 16428 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9164 -18.9164 -18.9162 -18.9162 -18.7469 -18.7469 -18.7464 -18.7464 -18.7267 -18.7267 -18.7264 -18.7264 -15.7929 -15.7929 -15.7929 -15.7929 -6.3503 -6.3503 -6.3492 -6.3492 -4.6305 -4.6305 -4.6303 -4.6303 -3.4005 -3.4005 -3.2707 -3.2707 -3.1455 -3.1455 -3.0057 -3.0057 2.7685 2.7685 2.8448 2.8448 3.4866 3.4866 3.6419 3.6419 3.7364 3.7364 3.7567 3.7567 8.0145 8.0145 8.0231 8.0231 8.7851 8.7851 8.8131 8.8131 9.6448 9.6448 k = 0.2969 0.5000 0.3085 ( 16424 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9165 -18.9165 -18.9163 -18.9163 -18.7472 -18.7472 -18.7468 -18.7468 -18.7263 -18.7263 -18.7261 -18.7261 -15.7924 -15.7924 -15.7924 -15.7924 -6.3433 -6.3433 -6.3422 -6.3422 -4.6385 -4.6385 -4.6383 -4.6383 -3.4075 -3.4075 -3.2854 -3.2854 -3.1444 -3.1444 -3.0126 -3.0126 2.7817 2.7817 2.8608 2.8608 3.4725 3.4725 3.6275 3.6275 3.7438 3.7438 3.7625 3.7625 8.0208 8.0208 8.0281 8.0281 8.8280 8.8280 8.8569 8.8569 9.6264 9.6264 k = 0.3125 0.5000 0.3085 ( 16420 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9165 -18.9165 -18.9164 -18.9164 -18.7475 -18.7475 -18.7471 -18.7471 -18.7260 -18.7260 -18.7257 -18.7257 -15.7919 -15.7919 -15.7919 -15.7919 -6.3364 -6.3364 -6.3353 -6.3353 -4.6464 -4.6464 -4.6462 -4.6462 -3.4139 -3.4139 -3.2998 -3.2998 -3.1432 -3.1432 -3.0198 -3.0198 2.7960 2.7960 2.8775 2.8775 3.4573 3.4573 3.6102 3.6102 3.7520 3.7520 3.7684 3.7684 8.0289 8.0289 8.0349 8.0349 8.8735 8.8735 8.9033 8.9033 9.6079 9.6079 k = 0.3281 0.5000 0.3085 ( 16416 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9166 -18.9166 -18.9164 -18.9164 -18.7478 -18.7478 -18.7474 -18.7474 -18.7256 -18.7256 -18.7254 -18.7254 -15.7914 -15.7914 -15.7914 -15.7914 -6.3297 -6.3297 -6.3286 -6.3286 -4.6539 -4.6539 -4.6538 -4.6538 -3.4195 -3.4195 -3.3137 -3.3137 -3.1418 -3.1418 -3.0272 -3.0272 2.8112 2.8112 2.8945 2.8945 3.4412 3.4412 3.5908 3.5908 3.7603 3.7603 3.7742 3.7742 8.0386 8.0386 8.0432 8.0432 8.9211 8.9211 8.9521 8.9521 9.5897 9.5897 k = 0.3438 0.5000 0.3085 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9167 -18.9167 -18.9165 -18.9165 -18.7480 -18.7480 -18.7477 -18.7477 -18.7253 -18.7253 -18.7251 -18.7251 -15.7909 -15.7909 -15.7909 -15.7909 -6.3232 -6.3232 -6.3223 -6.3223 -4.6612 -4.6612 -4.6611 -4.6611 -3.4242 -3.4242 -3.3272 -3.3272 -3.1401 -3.1401 -3.0348 -3.0348 2.8273 2.8273 2.9118 2.9118 3.4246 3.4246 3.5698 3.5698 3.7684 3.7684 3.7798 3.7798 8.0495 8.0495 8.0529 8.0529 8.9704 8.9704 9.0028 9.0028 9.5725 9.5725 k = 0.3594 0.5000 0.3085 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9167 -18.9167 -18.9166 -18.9166 -18.7483 -18.7483 -18.7479 -18.7479 -18.7250 -18.7250 -18.7249 -18.7249 -15.7905 -15.7905 -15.7905 -15.7905 -6.3172 -6.3172 -6.3162 -6.3162 -4.6681 -4.6681 -4.6680 -4.6680 -3.4282 -3.4282 -3.3401 -3.3401 -3.1381 -3.1381 -3.0424 -3.0424 2.8441 2.8441 2.9290 2.9290 3.4079 3.4079 3.5476 3.5476 3.7760 3.7760 3.7852 3.7852 8.0614 8.0614 8.0636 8.0636 9.0209 9.0209 9.0551 9.0551 9.5569 9.5569 k = 0.3750 0.5000 0.3085 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9168 -18.9168 -18.9166 -18.9166 -18.7485 -18.7485 -18.7482 -18.7482 -18.7248 -18.7248 -18.7246 -18.7246 -15.7901 -15.7901 -15.7901 -15.7901 -6.3115 -6.3115 -6.3107 -6.3107 -4.6745 -4.6745 -4.6744 -4.6744 -3.4312 -3.4312 -3.3524 -3.3524 -3.1358 -3.1358 -3.0500 -3.0500 2.8617 2.8617 2.9459 2.9459 3.3915 3.3915 3.5245 3.5245 3.7829 3.7829 3.7902 3.7902 8.0739 8.0739 8.0750 8.0750 9.0717 9.0717 9.1083 9.1083 9.5440 9.5440 k = 0.3906 0.5000 0.3085 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9168 -18.9168 -18.9167 -18.9167 -18.7486 -18.7486 -18.7484 -18.7484 -18.7245 -18.7245 -18.7244 -18.7244 -15.7897 -15.7897 -15.7897 -15.7897 -6.3064 -6.3064 -6.3056 -6.3056 -4.6803 -4.6803 -4.6803 -4.6803 -3.4334 -3.4334 -3.3640 -3.3640 -3.1332 -3.1332 -3.0576 -3.0576 2.8798 2.8798 2.9618 2.9618 3.3760 3.3760 3.5009 3.5009 3.7892 3.7892 3.7948 3.7948 8.0864 8.0864 8.0866 8.0866 9.1217 9.1217 9.1616 9.1616 9.5347 9.5348 k = 0.4062 0.5000 0.3085 ( 16384 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9168 -18.9168 -18.7488 -18.7488 -18.7485 -18.7485 -18.7243 -18.7243 -18.7242 -18.7242 -15.7894 -15.7894 -15.7894 -15.7894 -6.3017 -6.3017 -6.3011 -6.3011 -4.6855 -4.6855 -4.6855 -4.6855 -3.4347 -3.4347 -3.3748 -3.3748 -3.1302 -3.1302 -3.0650 -3.0650 2.8981 2.8981 2.9763 2.9763 3.3622 3.3622 3.4771 3.4771 3.7946 3.7946 3.7989 3.7989 8.0981 8.0981 8.0986 8.0986 9.1694 9.1694 9.2133 9.2133 9.5191 9.5191 k = 0.4219 0.5000 0.3085 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9168 -18.9168 -18.7489 -18.7489 -18.7487 -18.7487 -18.7242 -18.7242 -18.7241 -18.7241 -15.7891 -15.7891 -15.7891 -15.7891 -6.2977 -6.2977 -6.2971 -6.2971 -4.6901 -4.6901 -4.6901 -4.6901 -3.4350 -3.4350 -3.3849 -3.3849 -3.1269 -3.1269 -3.0722 -3.0722 2.9165 2.9165 2.9886 2.9886 3.3507 3.3507 3.4534 3.4534 3.7993 3.7993 3.8024 3.8024 8.1090 8.1090 8.1099 8.1099 9.2128 9.2128 9.2607 9.2607 9.5102 9.5102 k = 0.4375 0.5000 0.3085 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7490 -18.7490 -18.7489 -18.7489 -18.7240 -18.7240 -18.7240 -18.7240 -15.7889 -15.7889 -15.7889 -15.7889 -6.2943 -6.2943 -6.2939 -6.2939 -4.6939 -4.6939 -4.6939 -4.6939 -3.4343 -3.4343 -3.3941 -3.3941 -3.1231 -3.1231 -3.0792 -3.0792 2.9345 2.9345 2.9978 2.9978 3.3427 3.3427 3.4304 3.4304 3.8031 3.8031 3.8053 3.8053 8.1188 8.1188 8.1199 8.1199 9.2497 9.2497 9.2988 9.2988 9.5129 9.5129 k = 0.4531 0.5000 0.3085 ( 16400 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7490 -18.7490 -18.7239 -18.7239 -18.7239 -18.7239 -15.7887 -15.7887 -15.7887 -15.7887 -6.2917 -6.2917 -6.2913 -6.2913 -4.6969 -4.6969 -4.6969 -4.6969 -3.4327 -3.4327 -3.4024 -3.4024 -3.1190 -3.1190 -3.0859 -3.0859 2.9518 2.9518 3.0032 3.0032 3.3388 3.3388 3.4085 3.4085 3.8061 3.8061 3.8076 3.8076 8.1270 8.1270 8.1281 8.1281 9.2785 9.2785 9.3227 9.3227 9.5318 9.5318 k = 0.4688 0.5000 0.3085 ( 16388 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7490 -18.7490 -18.7238 -18.7238 -18.7238 -18.7238 -15.7886 -15.7886 -15.7886 -15.7886 -6.2897 -6.2897 -6.2895 -6.2895 -4.6990 -4.6990 -4.6990 -4.6990 -3.4301 -3.4301 -3.4099 -3.4099 -3.1144 -3.1144 -3.0924 -3.0924 2.9678 2.9678 3.0042 3.0042 3.3396 3.3396 3.3883 3.3883 3.8083 3.8083 3.8092 3.8092 8.1333 8.1333 8.1342 8.1342 9.2994 9.2994 9.3319 9.3319 9.5662 9.5662 k = 0.4844 0.5000 0.3085 ( 16400 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2885 -6.2885 -6.2884 -6.2884 -4.7003 -4.7003 -4.7003 -4.7003 -3.4265 -3.4265 -3.4164 -3.4164 -3.1095 -3.1095 -3.0984 -3.0984 2.9818 2.9818 3.0007 3.0007 3.3455 3.3455 3.3705 3.3705 3.8097 3.8097 3.8101 3.8101 8.1374 8.1374 8.1379 8.1379 9.3143 9.3143 9.3311 9.3311 9.6080 9.6080 k = 0.5000 0.5000 0.3085 ( 16432 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2880 -6.2880 -6.2880 -6.2880 -4.7008 -4.7008 -4.7008 -4.7008 -3.4219 -3.4219 -3.4219 -3.4219 -3.1041 -3.1041 -3.1041 -3.1041 2.9930 2.9930 2.9930 2.9930 3.3560 3.3560 3.3560 3.3560 3.8103 3.8103 3.8103 3.8103 8.1389 8.1389 8.1389 8.1389 9.3247 9.3247 9.3247 9.3247 9.6404 9.6404 k = 0.5000 0.5000 0.3085 ( 16432 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2880 -6.2880 -6.2880 -6.2880 -4.7008 -4.7008 -4.7008 -4.7008 -3.4219 -3.4219 -3.4219 -3.4219 -3.1041 -3.1041 -3.1041 -3.1041 2.9930 2.9930 2.9930 2.9930 3.3560 3.3560 3.3560 3.3560 3.8103 3.8103 3.8103 3.8103 8.1389 8.1389 8.1389 8.1389 9.3247 9.3247 9.3247 9.3247 9.6404 9.6404 k = 0.4889 0.4889 0.3085 ( 16402 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7884 -15.7884 -6.2886 -6.2886 -6.2883 -6.2883 -4.7006 -4.7006 -4.7000 -4.7000 -3.4265 -3.4265 -3.4163 -3.4163 -3.1095 -3.1095 -3.0984 -3.0984 2.9814 2.9814 3.0011 3.0011 3.3453 3.3453 3.3707 3.3707 3.8092 3.8092 3.8105 3.8105 8.1363 8.1363 8.1389 8.1389 9.3128 9.3128 9.3325 9.3325 9.6019 9.6019 k = 0.4778 0.4778 0.3085 ( 16398 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9169 -18.9169 -18.7491 -18.7491 -18.7490 -18.7490 -18.7239 -18.7239 -18.7238 -18.7238 -15.7889 -15.7889 -15.7883 -15.7883 -6.2902 -6.2902 -6.2890 -6.2890 -4.7002 -4.7002 -4.6979 -4.6979 -3.4302 -3.4302 -3.4097 -3.4097 -3.1145 -3.1145 -3.0923 -3.0923 2.9653 2.9653 3.0070 3.0070 3.3384 3.3384 3.3892 3.3892 3.8062 3.8062 3.8113 3.8113 8.1290 8.1290 8.1387 8.1387 9.2888 9.2888 9.3422 9.3422 9.5520 9.5520 k = 0.4667 0.4667 0.3085 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9168 -18.9168 -18.7491 -18.7491 -18.7489 -18.7489 -18.7240 -18.7240 -18.7238 -18.7238 -15.7894 -15.7894 -15.7880 -15.7880 -6.2928 -6.2928 -6.2902 -6.2902 -4.6994 -4.6994 -4.6942 -4.6942 -3.4330 -3.4330 -3.4020 -3.4020 -3.1190 -3.1190 -3.0859 -3.0859 2.9449 2.9449 3.0120 3.0120 3.3347 3.3347 3.4106 3.4106 3.8012 3.8012 3.8125 3.8125 8.1175 8.1175 8.1383 8.1383 9.2482 9.2482 9.3553 9.3553 9.5172 9.5172 k = 0.4556 0.4556 0.3085 ( 16382 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9170 -18.9170 -18.9167 -18.9167 -18.7491 -18.7491 -18.7488 -18.7488 -18.7242 -18.7242 -18.7238 -18.7238 -15.7901 -15.7901 -15.7877 -15.7877 -6.2964 -6.2964 -6.2919 -6.2919 -4.6984 -4.6984 -4.6892 -4.6892 -3.4351 -3.4351 -3.3932 -3.3932 -3.1231 -3.1231 -3.0792 -3.0792 2.9211 2.9211 3.0170 3.0170 3.3334 3.3334 3.4340 3.4340 3.7943 3.7943 3.8143 3.8143 8.1031 8.1031 8.1378 8.1378 9.1934 9.1934 9.3712 9.3712 9.5011 9.5011 k = 0.4444 0.4444 0.3085 ( 16368 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9171 -18.9171 -18.9166 -18.9166 -18.7490 -18.7490 -18.7486 -18.7486 -18.7245 -18.7245 -18.7238 -18.7238 -15.7910 -15.7910 -15.7873 -15.7873 -6.3009 -6.3009 -6.2939 -6.2939 -4.6972 -4.6972 -4.6829 -4.6829 -3.4365 -3.4365 -3.3832 -3.3832 -3.1268 -3.1268 -3.0723 -3.0723 2.8949 2.8949 3.0224 3.0224 3.3340 3.3340 3.4581 3.4581 3.7857 3.7857 3.8165 3.8165 8.0870 8.0870 8.1371 8.1371 9.1315 9.1315 9.3887 9.3887 9.4989 9.4989 k = 0.4333 0.4333 0.3085 ( 16382 PWs) bands (ev): -46.8623 -46.8623 -46.8622 -46.8622 -18.9172 -18.9172 -18.9164 -18.9164 -18.7490 -18.7490 -18.7484 -18.7484 -18.7248 -18.7248 -18.7238 -18.7238 -15.7921 -15.7921 -15.7868 -15.7868 -6.3063 -6.3063 -6.2962 -6.2962 -4.6957 -4.6957 -4.6755 -4.6755 -3.4372 -3.4372 -3.3721 -3.3721 -3.1300 -3.1300 -3.0652 -3.0652 2.8675 2.8675 3.0285 3.0285 3.3358 3.3358 3.4821 3.4821 3.7754 3.7754 3.8193 3.8193 8.0707 8.0707 8.1363 8.1363 9.0686 9.0686 9.4062 9.4062 9.5059 9.5059 k = 0.4222 0.4222 0.3085 ( 16396 PWs) bands (ev): -46.8624 -46.8624 -46.8622 -46.8622 -18.9173 -18.9173 -18.9163 -18.9163 -18.7489 -18.7489 -18.7481 -18.7481 -18.7252 -18.7252 -18.7238 -18.7238 -15.7934 -15.7934 -15.7862 -15.7862 -6.3125 -6.3125 -6.2988 -6.2988 -4.6941 -4.6941 -4.6669 -4.6669 -3.4374 -3.4374 -3.3598 -3.3598 -3.1327 -3.1327 -3.0581 -3.0581 2.8400 2.8400 3.0353 3.0353 3.3384 3.3384 3.5052 3.5052 3.7638 3.7638 3.8226 3.8226 8.0555 8.0555 8.1353 8.1353 9.0079 9.0079 9.4224 9.4224 9.5194 9.5194 k = 0.4111 0.4111 0.3085 ( 16388 PWs) bands (ev): -46.8624 -46.8624 -46.8622 -46.8622 -18.9173 -18.9173 -18.9161 -18.9161 -18.7488 -18.7488 -18.7478 -18.7478 -18.7256 -18.7256 -18.7238 -18.7238 -15.7948 -15.7948 -15.7855 -15.7855 -6.3194 -6.3194 -6.3016 -6.3016 -4.6924 -4.6924 -4.6573 -4.6573 -3.4372 -3.4372 -3.3464 -3.3464 -3.1351 -3.1351 -3.0510 -3.0510 2.8132 2.8132 3.0429 3.0429 3.3413 3.3413 3.5268 3.5268 3.7512 3.7512 3.8264 3.8264 8.0424 8.0424 8.1341 8.1341 8.9515 8.9515 9.4362 9.4362 9.5376 9.5376 k = 0.4000 0.4000 0.3085 ( 16400 PWs) bands (ev): -46.8624 -46.8624 -46.8621 -46.8621 -18.9174 -18.9174 -18.9159 -18.9159 -18.7487 -18.7487 -18.7475 -18.7475 -18.7261 -18.7261 -18.7238 -18.7238 -15.7965 -15.7965 -15.7847 -15.7847 -6.3270 -6.3270 -6.3044 -6.3044 -4.6907 -4.6907 -4.6468 -4.6468 -3.4366 -3.4366 -3.3318 -3.3318 -3.1370 -3.1370 -3.0439 -3.0439 2.7877 2.7877 3.0514 3.0514 3.3440 3.3440 3.5463 3.5463 3.7380 3.7380 3.8307 3.8307 8.0327 8.0327 8.1327 8.1327 8.9003 8.9003 9.4460 9.4460 9.5591 9.5591 k = 0.3889 0.3889 0.3085 ( 16396 PWs) bands (ev): -46.8624 -46.8624 -46.8621 -46.8621 -18.9175 -18.9175 -18.9156 -18.9156 -18.7486 -18.7486 -18.7471 -18.7471 -18.7266 -18.7266 -18.7238 -18.7238 -15.7983 -15.7983 -15.7839 -15.7839 -6.3350 -6.3350 -6.3073 -6.3073 -4.6889 -4.6889 -4.6356 -4.6356 -3.4358 -3.4358 -3.3161 -3.3161 -3.1385 -3.1385 -3.0371 -3.0371 2.7640 2.7640 3.0607 3.0607 3.3461 3.3461 3.5636 3.5636 3.7247 3.7247 3.8356 3.8356 8.0269 8.0269 8.1309 8.1309 8.8546 8.8546 9.4493 9.4493 9.5780 9.5780 k = 0.3778 0.3778 0.3085 ( 16408 PWs) bands (ev): -46.8625 -46.8625 -46.8621 -46.8621 -18.9177 -18.9177 -18.9154 -18.9154 -18.7485 -18.7485 -18.7468 -18.7468 -18.7271 -18.7271 -18.7238 -18.7238 -15.8002 -15.8002 -15.7830 -15.7830 -6.3435 -6.3435 -6.3101 -6.3101 -4.6872 -4.6872 -4.6239 -4.6239 -3.4347 -3.4347 -3.2994 -3.2994 -3.1397 -3.1397 -3.0304 -3.0304 2.7426 2.7426 3.0708 3.0708 3.3469 3.3469 3.5783 3.5783 3.7120 3.7120 3.8411 3.8411 8.0258 8.0258 8.1287 8.1287 8.8147 8.8147 9.4423 9.4423 9.5588 9.5588 k = 0.3667 0.3667 0.3085 ( 16422 PWs) bands (ev): -46.8625 -46.8625 -46.8620 -46.8620 -18.9178 -18.9178 -18.9151 -18.9151 -18.7484 -18.7484 -18.7464 -18.7464 -18.7277 -18.7277 -18.7238 -18.7238 -15.8023 -15.8023 -15.7820 -15.7820 -6.3523 -6.3523 -6.3128 -6.3128 -4.6856 -4.6856 -4.6116 -4.6116 -3.4334 -3.4334 -3.2817 -3.2817 -3.1406 -3.1406 -3.0241 -3.0241 2.7239 2.7239 3.0817 3.0817 3.3461 3.3461 3.5903 3.5903 3.7007 3.7007 3.8471 3.8471 8.0298 8.0298 8.1260 8.1260 8.7805 8.7805 9.4219 9.4219 9.5456 9.5456 k = 0.3556 0.3556 0.3085 ( 16412 PWs) bands (ev): -46.8625 -46.8625 -46.8620 -46.8620 -18.9179 -18.9179 -18.9148 -18.9148 -18.7482 -18.7482 -18.7459 -18.7459 -18.7283 -18.7283 -18.7238 -18.7238 -15.8046 -15.8046 -15.7810 -15.7810 -6.3613 -6.3613 -6.3153 -6.3153 -4.6841 -4.6841 -4.5990 -4.5990 -3.4320 -3.4320 -3.2631 -3.2631 -3.1413 -3.1413 -3.0181 -3.0181 2.7080 2.7080 3.0933 3.0933 3.3431 3.3431 3.5992 3.5992 3.6918 3.6918 3.8536 3.8536 8.0389 8.0389 8.1225 8.1225 8.7515 8.7515 9.3898 9.3898 9.5395 9.5395 k = 0.3444 0.3444 0.3085 ( 16416 PWs) bands (ev): -46.8626 -46.8626 -46.8620 -46.8620 -18.9181 -18.9181 -18.9145 -18.9145 -18.7481 -18.7481 -18.7455 -18.7455 -18.7290 -18.7290 -18.7237 -18.7237 -15.8070 -15.8070 -15.7799 -15.7799 -6.3705 -6.3705 -6.3175 -6.3175 -4.6828 -4.6828 -4.5861 -4.5861 -3.4306 -3.4306 -3.2438 -3.2438 -3.1418 -3.1418 -3.0125 -3.0125 2.6950 2.6950 3.1056 3.1056 3.3379 3.3379 3.6044 3.6044 3.6866 3.6866 3.8608 3.8608 8.0532 8.0532 8.1182 8.1182 8.7273 8.7273 9.3506 9.3506 9.5366 9.5366 k = 0.3333 0.3333 0.3085 ( 16402 PWs) bands (ev): -46.8626 -46.8626 -46.8619 -46.8619 -18.9182 -18.9182 -18.9142 -18.9142 -18.7480 -18.7480 -18.7450 -18.7450 -18.7296 -18.7296 -18.7237 -18.7237 -15.8095 -15.8095 -15.7787 -15.7787 -6.3796 -6.3796 -6.3193 -6.3193 -4.6818 -4.6818 -4.5731 -4.5731 -3.4290 -3.4290 -3.2239 -3.2239 -3.1423 -3.1423 -3.0074 -3.0074 2.6852 2.6852 3.1182 3.1182 3.3303 3.3303 3.6055 3.6055 3.6862 3.6862 3.8685 3.8685 8.0718 8.0718 8.1135 8.1135 8.7075 8.7075 9.3073 9.3073 9.5343 9.5343 k = 0.3222 0.3222 0.3085 ( 16402 PWs) bands (ev): -46.8627 -46.8627 -46.8619 -46.8619 -18.9184 -18.9184 -18.9139 -18.9139 -18.7478 -18.7478 -18.7445 -18.7445 -18.7303 -18.7303 -18.7236 -18.7236 -15.8120 -15.8120 -15.7776 -15.7776 -6.3887 -6.3887 -6.3208 -6.3208 -4.6810 -4.6810 -4.5601 -4.5601 -3.4273 -3.4273 -3.2035 -3.2035 -3.1428 -3.1428 -3.0026 -3.0026 2.6783 2.6783 3.1310 3.1310 3.3210 3.3210 3.6028 3.6028 3.6906 3.6906 3.8768 3.8768 8.0889 8.0889 8.1131 8.1131 8.6911 8.6911 9.2619 9.2619 9.5312 9.5312 k = 0.3111 0.3111 0.3085 ( 16408 PWs) bands (ev): -46.8627 -46.8627 -46.8618 -46.8618 -18.9186 -18.9186 -18.9136 -18.9136 -18.7477 -18.7477 -18.7440 -18.7440 -18.7311 -18.7311 -18.7236 -18.7236 -15.8147 -15.8147 -15.7763 -15.7763 -6.3976 -6.3976 -6.3218 -6.3218 -4.6805 -4.6805 -4.5472 -4.5472 -3.4256 -3.4256 -3.1828 -3.1828 -3.1435 -3.1435 -2.9983 -2.9983 2.6744 2.6744 3.1435 3.1435 3.3107 3.3107 3.5975 3.5975 3.6990 3.6990 3.8856 3.8856 8.0872 8.0872 8.1335 8.1335 8.6776 8.6776 9.2156 9.2156 9.5247 9.5247 k = 0.3000 0.3000 0.3085 ( 16416 PWs) bands (ev): -46.8628 -46.8628 -46.8618 -46.8618 -18.9188 -18.9188 -18.9132 -18.9132 -18.7476 -18.7476 -18.7435 -18.7435 -18.7318 -18.7318 -18.7235 -18.7235 -15.8175 -15.8175 -15.7751 -15.7751 -6.4063 -6.4063 -6.3224 -6.3224 -4.6804 -4.6804 -4.5344 -4.5344 -3.4238 -3.4238 -3.1624 -3.1624 -3.1443 -3.1443 -2.9942 -2.9942 2.6732 2.6732 3.1550 3.1550 3.3006 3.3006 3.5907 3.5907 3.7102 3.7102 3.8951 3.8951 8.0750 8.0750 8.1647 8.1647 8.6660 8.6660 9.1694 9.1694 9.4959 9.4959 k = 0.2889 0.2889 0.3085 ( 16420 PWs) bands (ev): -46.8628 -46.8628 -46.8617 -46.8617 -18.9190 -18.9190 -18.9129 -18.9129 -18.7474 -18.7474 -18.7430 -18.7430 -18.7326 -18.7326 -18.7234 -18.7234 -15.8203 -15.8203 -15.7738 -15.7738 -6.4147 -6.4147 -6.3224 -6.3224 -4.6806 -4.6806 -4.5218 -4.5218 -3.4220 -3.4220 -3.1484 -3.1484 -3.1391 -3.1391 -2.9904 -2.9904 2.6745 2.6745 3.1645 3.1645 3.2927 3.2927 3.5835 3.5835 3.7236 3.7236 3.9051 3.9051 8.0576 8.0576 8.1996 8.1996 8.6553 8.6553 9.1244 9.1244 9.4161 9.4161 k = 0.2778 0.2778 0.3085 ( 16422 PWs) bands (ev): -46.8629 -46.8629 -46.8617 -46.8617 -18.9192 -18.9192 -18.9125 -18.9125 -18.7473 -18.7473 -18.7425 -18.7425 -18.7333 -18.7333 -18.7233 -18.7233 -15.8232 -15.8232 -15.7725 -15.7725 -6.4227 -6.4227 -6.3220 -6.3220 -4.6811 -4.6811 -4.5095 -4.5095 -3.4200 -3.4200 -3.1495 -3.1495 -3.1196 -3.1196 -2.9866 -2.9866 2.6777 2.6777 3.1704 3.1704 3.2891 3.2891 3.5765 3.5765 3.7385 3.7385 3.9157 3.9157 8.0351 8.0351 8.2357 8.2357 8.6445 8.6445 9.0819 9.0819 9.3312 9.3312 k = 0.2667 0.2667 0.3085 ( 16438 PWs) bands (ev): -46.8629 -46.8629 -46.8616 -46.8616 -18.9194 -18.9194 -18.9122 -18.9122 -18.7471 -18.7471 -18.7420 -18.7420 -18.7341 -18.7341 -18.7231 -18.7231 -15.8261 -15.8261 -15.7712 -15.7712 -6.4304 -6.4304 -6.3210 -6.3210 -4.6820 -4.6820 -4.4976 -4.4976 -3.4179 -3.4179 -3.1525 -3.1525 -3.0996 -3.0996 -2.9829 -2.9829 2.6824 2.6824 3.1719 3.1719 3.2913 3.2913 3.5704 3.5704 3.7545 3.7545 3.9268 3.9268 8.0067 8.0067 8.2707 8.2707 8.6324 8.6324 9.0438 9.0438 9.2540 9.2540 k = 0.2556 0.2556 0.3085 ( 16452 PWs) bands (ev): -46.8630 -46.8630 -46.8616 -46.8616 -18.9196 -18.9196 -18.9119 -18.9119 -18.7470 -18.7470 -18.7416 -18.7416 -18.7348 -18.7348 -18.7230 -18.7230 -15.8290 -15.8290 -15.7699 -15.7699 -6.4375 -6.4375 -6.3195 -6.3195 -4.6833 -4.6833 -4.4862 -4.4862 -3.4158 -3.4158 -3.1564 -3.1564 -3.0800 -3.0800 -2.9790 -2.9790 2.6881 2.6881 3.1693 3.1693 3.2996 3.2996 3.5660 3.5660 3.7712 3.7712 3.9385 3.9385 7.9720 7.9720 8.3018 8.3018 8.6177 8.6177 9.0122 9.0122 9.1868 9.1868 k = 0.2444 0.2444 0.3085 ( 16444 PWs) bands (ev): -46.8630 -46.8630 -46.8615 -46.8615 -18.9199 -18.9199 -18.9116 -18.9116 -18.7469 -18.7469 -18.7411 -18.7411 -18.7356 -18.7356 -18.7228 -18.7228 -15.8319 -15.8319 -15.7686 -15.7686 -6.4441 -6.4441 -6.3175 -6.3175 -4.6848 -4.6848 -4.4751 -4.4751 -3.4135 -3.4135 -3.1614 -3.1614 -3.0610 -3.0610 -2.9750 -2.9750 2.6940 2.6940 3.1644 3.1644 3.3128 3.3128 3.5637 3.5637 3.7882 3.7882 3.9507 3.9507 7.9307 7.9307 8.3256 8.3256 8.5987 8.5987 8.9897 8.9897 9.1306 9.1306 k = 0.2333 0.2333 0.3085 ( 16440 PWs) bands (ev): -46.8631 -46.8631 -46.8615 -46.8615 -18.9201 -18.9201 -18.9112 -18.9112 -18.7468 -18.7468 -18.7407 -18.7407 -18.7363 -18.7363 -18.7225 -18.7225 -15.8349 -15.8349 -15.7673 -15.7673 -6.4503 -6.4503 -6.3150 -6.3150 -4.6868 -4.6868 -4.4646 -4.4646 -3.4111 -3.4111 -3.1673 -3.1673 -3.0430 -3.0430 -2.9707 -2.9707 2.6997 2.6997 3.1591 3.1591 3.3295 3.3295 3.5643 3.5643 3.8054 3.8054 3.9633 3.9633 7.8827 7.8827 8.3390 8.3390 8.5739 8.5739 8.9788 8.9788 9.0855 9.0855 k = 0.2222 0.2222 0.3085 ( 16446 PWs) bands (ev): -46.8631 -46.8631 -46.8614 -46.8614 -18.9203 -18.9203 -18.9109 -18.9109 -18.7467 -18.7467 -18.7403 -18.7403 -18.7370 -18.7370 -18.7223 -18.7223 -15.8378 -15.8378 -15.7660 -15.7660 -6.4558 -6.4558 -6.3121 -6.3121 -4.6890 -4.6890 -4.4547 -4.4547 -3.4086 -3.4086 -3.1742 -3.1742 -3.0260 -3.0260 -2.9662 -2.9662 2.7044 2.7044 3.1548 3.1548 3.3485 3.3485 3.5682 3.5682 3.8224 3.8224 3.9763 3.9763 7.8286 7.8286 8.3395 8.3395 8.5420 8.5420 8.9805 8.9805 9.0515 9.0515 k = 0.2111 0.2111 0.3085 ( 16438 PWs) bands (ev): -46.8632 -46.8632 -46.8614 -46.8614 -18.9206 -18.9206 -18.9106 -18.9106 -18.7466 -18.7466 -18.7399 -18.7399 -18.7377 -18.7377 -18.7220 -18.7220 -15.8407 -15.8407 -15.7647 -15.7647 -6.4608 -6.4608 -6.3087 -6.3087 -4.6915 -4.6915 -4.4453 -4.4453 -3.4060 -3.4060 -3.1820 -3.1820 -3.0101 -3.0101 -2.9613 -2.9613 2.7077 2.7077 3.1524 3.1524 3.3692 3.3692 3.5758 3.5758 3.8389 3.8389 3.9896 3.9896 7.7692 7.7692 8.3269 8.3269 8.5022 8.5022 8.9917 8.9917 9.0297 9.0297 k = 0.2000 0.2000 0.3085 ( 16440 PWs) bands (ev): -46.8632 -46.8632 -46.8613 -46.8613 -18.9208 -18.9208 -18.9103 -18.9103 -18.7465 -18.7465 -18.7395 -18.7395 -18.7383 -18.7383 -18.7217 -18.7217 -15.8435 -15.8435 -15.7634 -15.7634 -6.4653 -6.4653 -6.3050 -6.3050 -4.6943 -4.6943 -4.4364 -4.4364 -3.4033 -3.4033 -3.1905 -3.1905 -2.9955 -2.9955 -2.9561 -2.9561 2.7091 2.7091 3.1525 3.1525 3.3910 3.3910 3.5875 3.5875 3.8549 3.8549 4.0030 4.0030 7.7057 7.7057 8.3027 8.3027 8.4551 8.4551 8.9686 8.9686 9.0019 9.0019 k = 0.1889 0.1889 0.3085 ( 16440 PWs) bands (ev): -46.8633 -46.8633 -46.8613 -46.8613 -18.9210 -18.9210 -18.9100 -18.9100 -18.7465 -18.7465 -18.7392 -18.7392 -18.7389 -18.7389 -18.7214 -18.7214 -15.8462 -15.8462 -15.7622 -15.7622 -6.4692 -6.4692 -6.3009 -6.3009 -4.6972 -4.6972 -4.4282 -4.4282 -3.4006 -3.4006 -3.1996 -3.1996 -2.9822 -2.9822 -2.9506 -2.9506 2.7085 2.7085 3.1556 3.1556 3.4135 3.4135 3.6033 3.6033 3.8700 3.8700 4.0167 4.0167 7.6393 7.6393 8.2695 8.2695 8.4020 8.4020 8.8695 8.8695 8.9931 8.9931 k = 0.1778 0.1778 0.3085 ( 16440 PWs) bands (ev): -46.8633 -46.8633 -46.8613 -46.8613 -18.9213 -18.9213 -18.9098 -18.9098 -18.7465 -18.7465 -18.7395 -18.7395 -18.7389 -18.7389 -18.7211 -18.7211 -15.8489 -15.8489 -15.7611 -15.7611 -6.4725 -6.4725 -6.2966 -6.2966 -4.7004 -4.7004 -4.4206 -4.4206 -3.3979 -3.3979 -3.2093 -3.2093 -2.9703 -2.9703 -2.9450 -2.9450 2.7059 2.7059 3.1616 3.1616 3.4364 3.4364 3.6230 3.6230 3.8841 3.8841 4.0304 4.0304 7.5712 7.5712 8.2301 8.2301 8.3448 8.3448 8.7705 8.7705 8.9885 8.9885 k = 0.1667 0.1667 0.3085 ( 16430 PWs) bands (ev): -46.8633 -46.8633 -46.8612 -46.8612 -18.9215 -18.9215 -18.9095 -18.9095 -18.7465 -18.7465 -18.7399 -18.7399 -18.7386 -18.7386 -18.7207 -18.7207 -15.8515 -15.8515 -15.7599 -15.7599 -6.4754 -6.4754 -6.2921 -6.2921 -4.7037 -4.7037 -4.4135 -4.4135 -3.3953 -3.3953 -3.2192 -3.2192 -2.9597 -2.9597 -2.9392 -2.9392 2.7013 2.7013 3.1709 3.1709 3.4592 3.4592 3.6462 3.6462 3.8970 3.8970 4.0443 4.0443 7.5026 7.5026 8.1868 8.1868 8.2855 8.2855 8.6747 8.6747 8.9876 8.9876 k = 0.1556 0.1556 0.3085 ( 16442 PWs) bands (ev): -46.8634 -46.8634 -46.8612 -46.8612 -18.9217 -18.9217 -18.9093 -18.9093 -18.7466 -18.7466 -18.7404 -18.7404 -18.7384 -18.7384 -18.7204 -18.7204 -15.8540 -15.8540 -15.7588 -15.7588 -6.4777 -6.4777 -6.2874 -6.2874 -4.7071 -4.7071 -4.4071 -4.4071 -3.3927 -3.3927 -3.2291 -3.2291 -2.9503 -2.9503 -2.9335 -2.9335 2.6950 2.6950 3.1834 3.1834 3.4817 3.4817 3.6720 3.6720 3.9085 3.9085 4.0584 4.0584 7.4346 7.4346 8.1413 8.1413 8.2257 8.2257 8.5828 8.5828 8.9905 8.9905 k = 0.1444 0.1444 0.3085 ( 16414 PWs) bands (ev): -46.8634 -46.8634 -46.8611 -46.8611 -18.9219 -18.9219 -18.9090 -18.9090 -18.7466 -18.7466 -18.7407 -18.7407 -18.7381 -18.7381 -18.7200 -18.7200 -15.8564 -15.8564 -15.7578 -15.7578 -6.4796 -6.4796 -6.2826 -6.2826 -4.7105 -4.7105 -4.4013 -4.4013 -3.3904 -3.3904 -3.2390 -3.2390 -2.9420 -2.9420 -2.9279 -2.9279 2.6874 2.6874 3.1991 3.1991 3.5036 3.5036 3.6996 3.6996 3.9186 3.9186 4.0728 4.0728 7.3679 7.3679 8.0952 8.0952 8.1668 8.1668 8.4954 8.4954 8.9971 8.9971 k = 0.1333 0.1333 0.3085 ( 16414 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9221 -18.9221 -18.9088 -18.9088 -18.7467 -18.7467 -18.7411 -18.7411 -18.7379 -18.7379 -18.7197 -18.7197 -15.8586 -15.8586 -15.7568 -15.7568 -6.4811 -6.4811 -6.2778 -6.2778 -4.7140 -4.7140 -4.3960 -4.3960 -3.3882 -3.3882 -3.2485 -3.2485 -2.9347 -2.9347 -2.9228 -2.9228 2.6787 2.6787 3.2178 3.2178 3.5246 3.5246 3.7275 3.7275 3.9274 3.9274 4.0877 4.0877 7.3035 7.3035 8.0495 8.0495 8.1099 8.1099 8.4127 8.4127 9.0071 9.0071 k = 0.1222 0.1222 0.3085 ( 16418 PWs) bands (ev): -46.8635 -46.8635 -46.8611 -46.8611 -18.9223 -18.9223 -18.9086 -18.9086 -18.7469 -18.7469 -18.7413 -18.7413 -18.7378 -18.7378 -18.7193 -18.7193 -15.8607 -15.8607 -15.7559 -15.7559 -6.4822 -6.4822 -6.2731 -6.2731 -4.7174 -4.7174 -4.3913 -4.3913 -3.3863 -3.3863 -3.2575 -3.2575 -2.9281 -2.9281 -2.9183 -2.9183 2.6694 2.6694 3.2395 3.2395 3.5446 3.5446 3.7542 3.7542 3.9351 3.9351 4.1032 4.1032 7.2420 7.2420 8.0053 8.0053 8.0556 8.0556 8.3351 8.3351 9.0202 9.0202 k = 0.1111 0.1111 0.3085 ( 16426 PWs) bands (ev): -46.8635 -46.8635 -46.8610 -46.8610 -18.9225 -18.9225 -18.9084 -18.9084 -18.7471 -18.7471 -18.7415 -18.7415 -18.7376 -18.7376 -18.7190 -18.7190 -15.8627 -15.8627 -15.7551 -15.7551 -6.4830 -6.4830 -6.2685 -6.2685 -4.7207 -4.7207 -4.3872 -4.3872 -3.3849 -3.3849 -3.2659 -3.2659 -2.9223 -2.9223 -2.9143 -2.9143 2.6597 2.6597 3.2640 3.2640 3.5633 3.5633 3.7780 3.7780 3.9423 3.9423 4.1194 4.1194 7.1839 7.1839 7.9631 7.9631 8.0046 8.0046 8.2630 8.2630 9.0361 9.0361 k = 0.1000 0.1000 0.3085 ( 16430 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9226 -18.9226 -18.9082 -18.9082 -18.7473 -18.7473 -18.7417 -18.7417 -18.7375 -18.7375 -18.7187 -18.7187 -15.8645 -15.8645 -15.7543 -15.7543 -6.4835 -6.4835 -6.2641 -6.2641 -4.7238 -4.7238 -4.3835 -4.3835 -3.3838 -3.3838 -3.2734 -3.2734 -2.9170 -2.9170 -2.9109 -2.9109 2.6501 2.6501 3.2910 3.2910 3.5803 3.5803 3.7969 3.7969 3.9499 3.9499 4.1365 4.1365 7.1299 7.1299 7.9236 7.9236 7.9575 7.9575 8.1966 8.1966 9.0543 9.0543 k = 0.0889 0.0889 0.3085 ( 16424 PWs) bands (ev): -46.8636 -46.8636 -46.8610 -46.8610 -18.9228 -18.9228 -18.9081 -18.9081 -18.7475 -18.7475 -18.7418 -18.7418 -18.7374 -18.7374 -18.7184 -18.7184 -15.8661 -15.8661 -15.7536 -15.7536 -6.4838 -6.4838 -6.2600 -6.2600 -4.7268 -4.7268 -4.3804 -4.3804 -3.3832 -3.3832 -3.2800 -3.2800 -2.9124 -2.9124 -2.9081 -2.9081 2.6407 2.6407 3.3202 3.3202 3.5955 3.5955 3.8093 3.8093 3.9587 3.9587 4.1541 4.1541 7.0803 7.0803 7.8873 7.8873 7.9144 7.9144 8.1364 8.1364 9.0743 9.0743 k = 0.0778 0.0778 0.3085 ( 16428 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9229 -18.9229 -18.9080 -18.9080 -18.7477 -18.7477 -18.7419 -18.7419 -18.7373 -18.7373 -18.7181 -18.7181 -15.8676 -15.8676 -15.7529 -15.7529 -6.4839 -6.4839 -6.2562 -6.2562 -4.7296 -4.7296 -4.3777 -4.3777 -3.3830 -3.3830 -3.2855 -3.2855 -2.9087 -2.9087 -2.9055 -2.9055 2.6318 2.6318 3.3512 3.3512 3.6082 3.6082 3.8147 3.8147 3.9690 3.9690 4.1720 4.1720 7.0356 7.0356 7.8546 7.8546 7.8758 7.8758 8.0824 8.0824 9.0956 9.0956 k = 0.0667 0.0667 0.3085 ( 16434 PWs) bands (ev): -46.8636 -46.8636 -46.8609 -46.8609 -18.9231 -18.9231 -18.9079 -18.9079 -18.7478 -18.7478 -18.7419 -18.7419 -18.7373 -18.7373 -18.7179 -18.7179 -15.8689 -15.8689 -15.7524 -15.7524 -6.4839 -6.4839 -6.2528 -6.2528 -4.7320 -4.7320 -4.3754 -4.3754 -3.3832 -3.3832 -3.2901 -3.2901 -2.9063 -2.9063 -2.9027 -2.9027 2.6237 2.6237 3.3836 3.3836 3.6180 3.6180 3.8139 3.8139 3.9803 3.9803 4.1897 4.1897 6.9961 6.9961 7.8257 7.8257 7.8420 7.8420 8.0351 8.0351 9.1171 9.1171 k = 0.0556 0.0556 0.3085 ( 16430 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9232 -18.9232 -18.9078 -18.9078 -18.7480 -18.7480 -18.7420 -18.7420 -18.7372 -18.7372 -18.7177 -18.7177 -15.8700 -15.8700 -15.7519 -15.7519 -6.4838 -6.4838 -6.2498 -6.2498 -4.7342 -4.7342 -4.3735 -4.3735 -3.3837 -3.3837 -3.2937 -3.2937 -2.9048 -2.9048 -2.8998 -2.8998 2.6166 2.6166 3.4168 3.4168 3.6241 3.6241 3.8085 3.8085 3.9913 3.9913 4.2065 4.2065 6.9621 6.9621 7.8008 7.8008 7.8130 7.8130 7.9946 7.9946 9.1380 9.1380 k = 0.0444 0.0444 0.3085 ( 16418 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9077 -18.9077 -18.7481 -18.7481 -18.7420 -18.7420 -18.7372 -18.7372 -18.7175 -18.7175 -15.8709 -15.8709 -15.7515 -15.7515 -6.4837 -6.4837 -6.2473 -6.2473 -4.7360 -4.7360 -4.3720 -4.3720 -3.3844 -3.3844 -3.2964 -3.2964 -2.9040 -2.9040 -2.8973 -2.8973 2.6106 2.6106 3.4503 3.4503 3.6256 3.6256 3.8007 3.8007 4.0013 4.0013 4.2216 4.2216 6.9340 6.9340 7.7802 7.7802 7.7892 7.7892 7.9611 7.9611 9.1570 9.1570 k = 0.0333 0.0333 0.3085 ( 16414 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9233 -18.9233 -18.9076 -18.9076 -18.7483 -18.7483 -18.7420 -18.7420 -18.7371 -18.7371 -18.7173 -18.7173 -15.8716 -15.8716 -15.7512 -15.7512 -6.4836 -6.4836 -6.2453 -6.2453 -4.7375 -4.7375 -4.3709 -4.3709 -3.3851 -3.3851 -3.2983 -3.2983 -2.9034 -2.9034 -2.8953 -2.8953 2.6057 2.6057 3.4834 3.4834 3.6216 3.6216 3.7925 3.7925 4.0094 4.0094 4.2342 4.2342 6.9119 6.9119 7.7640 7.7640 7.7707 7.7707 7.9349 7.9349 9.1731 9.1731 k = 0.0222 0.0222 0.3085 ( 16410 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7483 -18.7483 -18.7420 -18.7420 -18.7371 -18.7371 -18.7172 -18.7172 -15.8721 -15.8721 -15.7510 -15.7510 -6.4835 -6.4835 -6.2438 -6.2438 -4.7385 -4.7385 -4.3701 -4.3701 -3.3858 -3.3858 -3.2996 -3.2996 -2.9031 -2.9031 -2.8938 -2.8938 2.6022 2.6022 3.5153 3.5153 3.6114 3.6114 3.7856 3.7856 4.0154 4.0154 4.2437 4.2437 6.8959 6.8959 7.7521 7.7521 7.7575 7.7575 7.9161 7.9161 9.1851 9.1851 k = 0.0111 0.0111 0.3085 ( 16390 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7171 -18.7171 -15.8724 -15.8724 -15.7509 -15.7509 -6.4834 -6.4834 -6.2430 -6.2430 -4.7392 -4.7392 -4.3696 -4.3696 -3.3862 -3.3862 -3.3003 -3.3003 -2.9029 -2.9029 -2.8929 -2.8929 2.6001 2.6001 3.5448 3.5448 3.5951 3.5951 3.7811 3.7811 4.0191 4.0191 4.2497 4.2497 6.8863 6.8863 7.7448 7.7448 7.7497 7.7497 7.9047 7.9047 9.1926 9.1926 k = 0.0000 0.0000 0.3085 ( 16364 PWs) bands (ev): -46.8637 -46.8637 -46.8609 -46.8609 -18.9234 -18.9234 -18.9075 -18.9075 -18.7484 -18.7484 -18.7420 -18.7420 -18.7371 -18.7371 -18.7171 -18.7171 -15.8725 -15.8725 -15.7508 -15.7508 -6.4833 -6.4833 -6.2427 -6.2427 -4.7394 -4.7394 -4.3695 -4.3695 -3.3863 -3.3863 -3.3006 -3.3006 -2.9028 -2.9028 -2.8927 -2.8927 2.5994 2.5994 3.5661 3.5661 3.5783 3.5783 3.7796 3.7796 4.0203 4.0203 4.2517 4.2517 6.8831 6.8831 7.7424 7.7424 7.7472 7.7472 7.9009 7.9009 9.1951 9.1951 k = 0.0000 0.5000-0.0000 ( 16410 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4139 -6.4139 -6.4139 -6.4139 -4.5622 -4.5622 -4.5622 -4.5622 -3.2622 -3.2622 -3.2622 -3.2622 -3.0009 -3.0009 -3.0009 -3.0009 2.9067 2.9067 2.9067 2.9067 3.5890 3.5890 3.5890 3.5890 3.7844 3.7844 3.7844 3.7844 7.5932 7.5932 7.5932 7.5932 8.4808 8.4808 8.4808 8.4808 8.8105 8.8105 k = 0.0000 0.5000 0.0154 ( 16412 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4140 -6.4140 -6.4140 -6.4140 -4.5621 -4.5621 -4.5621 -4.5621 -3.2620 -3.2620 -3.2620 -3.2620 -3.0010 -3.0010 -3.0010 -3.0010 2.9053 2.9053 2.9053 2.9053 3.5888 3.5888 3.5888 3.5888 3.7841 3.7841 3.7841 3.7841 7.5952 7.5952 7.5952 7.5952 8.4850 8.4850 8.4850 8.4850 8.8127 8.8127 k = 0.0000 0.5000 0.0309 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4144 -6.4144 -6.4144 -6.4144 -4.5616 -4.5616 -4.5616 -4.5616 -3.2613 -3.2613 -3.2613 -3.2613 -3.0011 -3.0011 -3.0011 -3.0011 2.9012 2.9012 2.9012 2.9012 3.5881 3.5881 3.5881 3.5881 3.7831 3.7831 3.7831 3.7831 7.6014 7.6014 7.6014 7.6014 8.4975 8.4975 8.4975 8.4975 8.8195 8.8195 k = 0.0000 0.5000 0.0463 ( 16426 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4150 -6.4150 -6.4150 -6.4150 -4.5608 -4.5608 -4.5608 -4.5608 -3.2602 -3.2602 -3.2602 -3.2602 -3.0013 -3.0013 -3.0013 -3.0013 2.8944 2.8944 2.8944 2.8944 3.5871 3.5871 3.5871 3.5871 3.7816 3.7816 3.7816 3.7816 7.6117 7.6117 7.6117 7.6117 8.5176 8.5176 8.5176 8.5176 8.8306 8.8306 k = 0.0000 0.5000 0.0617 ( 16438 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4158 -6.4158 -6.4158 -6.4158 -4.5598 -4.5598 -4.5598 -4.5598 -3.2587 -3.2587 -3.2587 -3.2587 -3.0015 -3.0015 -3.0015 -3.0015 2.8852 2.8852 2.8852 2.8852 3.5856 3.5856 3.5856 3.5856 3.7796 3.7796 3.7796 3.7796 7.6259 7.6259 7.6259 7.6259 8.5441 8.5441 8.5441 8.5441 8.8461 8.8461 k = 0.0000 0.5000 0.0771 ( 16402 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4168 -6.4168 -6.4168 -6.4168 -4.5585 -4.5585 -4.5585 -4.5585 -3.2568 -3.2568 -3.2568 -3.2568 -3.0018 -3.0018 -3.0018 -3.0018 2.8737 2.8737 2.8737 2.8737 3.5839 3.5839 3.5839 3.5839 3.7771 3.7771 3.7771 3.7771 7.6439 7.6439 7.6439 7.6439 8.5754 8.5754 8.5754 8.5754 8.8658 8.8658 k = 0.0000 0.5000 0.0926 ( 16410 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4179 -6.4179 -6.4179 -6.4179 -4.5570 -4.5570 -4.5570 -4.5570 -3.2546 -3.2546 -3.2546 -3.2546 -3.0022 -3.0022 -3.0022 -3.0022 2.8604 2.8604 2.8604 2.8604 3.5818 3.5818 3.5818 3.5818 3.7742 3.7742 3.7742 3.7742 7.6655 7.6655 7.6655 7.6655 8.6090 8.6090 8.6090 8.6090 8.8895 8.8895 k = 0.0000 0.5000 0.1080 ( 16418 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7997 -15.7997 -15.7997 -15.7997 -6.4192 -6.4192 -6.4192 -6.4192 -4.5553 -4.5553 -4.5553 -4.5553 -3.2520 -3.2520 -3.2520 -3.2520 -3.0026 -3.0026 -3.0026 -3.0026 2.8455 2.8455 2.8455 2.8455 3.5796 3.5796 3.5796 3.5796 3.7710 3.7710 3.7710 3.7710 7.6906 7.6906 7.6906 7.6906 8.6418 8.6418 8.6418 8.6418 8.9172 8.9172 k = 0.0000 0.5000 0.1234 ( 16414 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4206 -6.4206 -6.4206 -6.4206 -4.5534 -4.5534 -4.5534 -4.5534 -3.2493 -3.2493 -3.2493 -3.2493 -3.0031 -3.0031 -3.0031 -3.0031 2.8295 2.8295 2.8295 2.8295 3.5771 3.5771 3.5771 3.5771 3.7676 3.7676 3.7676 3.7676 7.7188 7.7188 7.7188 7.7188 8.6704 8.6704 8.6704 8.6704 8.9484 8.9484 k = 0.0000 0.5000 0.1388 ( 16424 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4221 -6.4221 -6.4221 -6.4221 -4.5515 -4.5515 -4.5515 -4.5515 -3.2463 -3.2463 -3.2463 -3.2463 -3.0036 -3.0036 -3.0036 -3.0036 2.8127 2.8127 2.8127 2.8127 3.5746 3.5746 3.5746 3.5746 3.7641 3.7641 3.7641 3.7641 7.7499 7.7499 7.7499 7.7499 8.6917 8.6917 8.6917 8.6917 8.9830 8.9830 k = 0.0000 0.5000 0.1543 ( 16436 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4236 -6.4236 -6.4236 -6.4236 -4.5495 -4.5495 -4.5495 -4.5495 -3.2433 -3.2433 -3.2433 -3.2433 -3.0042 -3.0042 -3.0042 -3.0042 2.7956 2.7956 2.7956 2.7956 3.5721 3.5721 3.5721 3.5721 3.7606 3.7606 3.7606 3.7606 7.7833 7.7833 7.7833 7.7833 8.7038 8.7038 8.7038 8.7038 9.0206 9.0206 k = 0.0000 0.5000 0.1697 ( 16446 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4251 -6.4251 -6.4251 -6.4251 -4.5476 -4.5476 -4.5476 -4.5476 -3.2403 -3.2403 -3.2403 -3.2403 -3.0047 -3.0047 -3.0047 -3.0047 2.7786 2.7786 2.7786 2.7786 3.5695 3.5695 3.5695 3.5695 3.7572 3.7572 3.7572 3.7572 7.8188 7.8188 7.8188 7.8188 8.7065 8.7065 8.7065 8.7065 9.0606 9.0606 k = 0.0000 0.5000 0.1851 ( 16434 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4265 -6.4265 -6.4265 -6.4265 -4.5457 -4.5457 -4.5457 -4.5457 -3.2373 -3.2373 -3.2373 -3.2373 -3.0053 -3.0053 -3.0053 -3.0053 2.7621 2.7621 2.7621 2.7621 3.5671 3.5671 3.5671 3.5671 3.7539 3.7539 3.7539 3.7539 7.8556 7.8556 7.8556 7.8556 8.7008 8.7008 8.7008 8.7008 9.1026 9.1026 k = 0.0000 0.5000 0.2005 ( 16426 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4279 -6.4279 -6.4279 -6.4279 -4.5438 -4.5438 -4.5438 -4.5438 -3.2344 -3.2344 -3.2344 -3.2344 -3.0059 -3.0059 -3.0059 -3.0059 2.7466 2.7466 2.7466 2.7466 3.5648 3.5648 3.5648 3.5648 3.7508 3.7508 3.7508 3.7508 7.8932 7.8932 7.8932 7.8932 8.6883 8.6883 8.6883 8.6883 9.1456 9.1456 k = 0.0000 0.5000 0.2160 ( 16438 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4292 -6.4292 -6.4292 -6.4292 -4.5422 -4.5422 -4.5422 -4.5422 -3.2317 -3.2317 -3.2317 -3.2317 -3.0064 -3.0064 -3.0064 -3.0064 2.7323 2.7323 2.7323 2.7323 3.5627 3.5627 3.5627 3.5627 3.7480 3.7480 3.7480 3.7480 7.9307 7.9307 7.9307 7.9307 8.6709 8.6709 8.6709 8.6709 9.1886 9.1886 k = 0.0000 0.5000 0.2314 ( 16406 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4303 -6.4303 -6.4303 -6.4303 -4.5407 -4.5407 -4.5407 -4.5407 -3.2293 -3.2293 -3.2293 -3.2293 -3.0069 -3.0069 -3.0069 -3.0069 2.7196 2.7196 2.7196 2.7196 3.5608 3.5608 3.5608 3.5608 3.7456 3.7456 3.7456 3.7456 7.9670 7.9670 7.9670 7.9670 8.6505 8.6505 8.6505 8.6505 9.2304 9.2304 k = 0.0000 0.5000 0.2468 ( 16420 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4313 -6.4313 -6.4313 -6.4313 -4.5395 -4.5395 -4.5395 -4.5395 -3.2272 -3.2272 -3.2272 -3.2272 -3.0073 -3.0073 -3.0073 -3.0073 2.7088 2.7088 2.7088 2.7088 3.5593 3.5593 3.5593 3.5593 3.7435 3.7435 3.7435 3.7435 8.0009 8.0009 8.0009 8.0009 8.6290 8.6290 8.6290 8.6290 9.2691 9.2691 k = 0.0000 0.5000 0.2622 ( 16416 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9153 -18.9153 -18.9153 -18.9153 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4321 -6.4321 -6.4321 -6.4321 -4.5384 -4.5384 -4.5384 -4.5384 -3.2255 -3.2255 -3.2255 -3.2255 -3.0077 -3.0077 -3.0077 -3.0077 2.7001 2.7001 2.7001 2.7001 3.5580 3.5580 3.5580 3.5580 3.7418 3.7418 3.7418 3.7418 8.0305 8.0305 8.0305 8.0305 8.6085 8.6085 8.6085 8.6085 9.3030 9.3030 k = 0.0000 0.5000 0.2777 ( 16398 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4326 -6.4326 -6.4326 -6.4326 -4.5377 -4.5377 -4.5377 -4.5377 -3.2243 -3.2243 -3.2243 -3.2243 -3.0079 -3.0079 -3.0079 -3.0079 2.6938 2.6938 2.6938 2.6938 3.5571 3.5571 3.5571 3.5571 3.7406 3.7406 3.7406 3.7406 8.0541 8.0541 8.0541 8.0541 8.5914 8.5914 8.5914 8.5914 9.3296 9.3296 k = 0.0000 0.5000 0.2931 ( 16394 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4330 -6.4330 -6.4330 -6.4330 -4.5373 -4.5373 -4.5373 -4.5373 -3.2235 -3.2235 -3.2235 -3.2235 -3.0081 -3.0081 -3.0081 -3.0081 2.6900 2.6900 2.6900 2.6900 3.5565 3.5565 3.5565 3.5565 3.7399 3.7399 3.7399 3.7399 8.0694 8.0694 8.0694 8.0694 8.5799 8.5799 8.5799 8.5799 9.3467 9.3467 k = 0.0000 0.5000 0.3085 ( 16392 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9152 -18.9152 -18.9152 -18.9152 -18.7402 -18.7402 -18.7402 -18.7402 -18.7335 -18.7335 -18.7335 -18.7335 -15.7996 -15.7996 -15.7996 -15.7996 -6.4331 -6.4331 -6.4331 -6.4331 -4.5371 -4.5371 -4.5371 -4.5371 -3.2233 -3.2233 -3.2233 -3.2233 -3.0081 -3.0081 -3.0081 -3.0081 2.6887 2.6887 2.6887 2.6887 3.5563 3.5563 3.5563 3.5563 3.7397 3.7397 3.7397 3.7397 8.0747 8.0747 8.0747 8.0747 8.5758 8.5758 8.5758 8.5758 9.3526 9.3526 k = 0.5000 0.5000-0.0000 ( 16356 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2711 -6.2711 -6.2711 -6.2711 -4.7162 -4.7162 -4.7162 -4.7162 -3.4453 -3.4453 -3.4453 -3.4453 -3.1149 -3.1149 -3.1149 -3.1149 3.1262 3.1262 3.1262 3.1262 3.5335 3.5335 3.5335 3.5335 3.7698 3.7698 3.7698 3.7698 7.8335 7.8335 7.8335 7.8335 7.9634 7.9634 7.9634 7.9634 10.3079 10.3079 k = 0.5000 0.5000 0.0154 ( 16352 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2712 -6.2712 -6.2712 -6.2712 -4.7161 -4.7161 -4.7161 -4.7161 -3.4451 -3.4451 -3.4451 -3.4451 -3.1149 -3.1149 -3.1149 -3.1149 3.1251 3.1251 3.1251 3.1251 3.5336 3.5336 3.5336 3.5336 3.7688 3.7688 3.7688 3.7688 7.8348 7.8348 7.8348 7.8348 7.9693 7.9693 7.9693 7.9693 10.3072 10.3072 k = 0.5000 0.5000 0.0309 ( 16360 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2715 -6.2715 -6.2715 -6.2715 -4.7159 -4.7159 -4.7159 -4.7159 -3.4447 -3.4447 -3.4447 -3.4447 -3.1147 -3.1147 -3.1147 -3.1147 3.1220 3.1220 3.1220 3.1220 3.5338 3.5338 3.5338 3.5338 3.7662 3.7662 3.7662 3.7662 7.8389 7.8389 7.8389 7.8389 7.9869 7.9869 7.9869 7.9869 10.3049 10.3049 k = 0.5000 0.5000 0.0463 ( 16368 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2720 -6.2720 -6.2720 -6.2720 -4.7154 -4.7154 -4.7154 -4.7154 -3.4440 -3.4440 -3.4440 -3.4440 -3.1144 -3.1144 -3.1144 -3.1144 3.1170 3.1170 3.1170 3.1170 3.5335 3.5335 3.5335 3.5335 3.7623 3.7623 3.7623 3.7623 7.8455 7.8455 7.8455 7.8455 8.0160 8.0160 8.0160 8.0160 10.3010 10.3010 k = 0.5000 0.5000 0.0617 ( 16360 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7237 -18.7237 -18.7237 -18.7237 -15.7885 -15.7885 -15.7885 -15.7885 -6.2727 -6.2727 -6.2727 -6.2727 -4.7147 -4.7147 -4.7147 -4.7147 -3.4430 -3.4430 -3.4430 -3.4430 -3.1141 -3.1141 -3.1141 -3.1141 3.1104 3.1104 3.1104 3.1104 3.5323 3.5323 3.5323 3.5323 3.7579 3.7579 3.7579 3.7579 7.8547 7.8547 7.8547 7.8547 8.0562 8.0562 8.0562 8.0562 10.2951 10.2951 k = 0.5000 0.5000 0.0771 ( 16376 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2736 -6.2736 -6.2736 -6.2736 -4.7139 -4.7139 -4.7139 -4.7139 -3.4417 -3.4417 -3.4417 -3.4417 -3.1136 -3.1136 -3.1136 -3.1136 3.1024 3.1024 3.1024 3.1024 3.5292 3.5292 3.5292 3.5292 3.7539 3.7539 3.7539 3.7539 7.8665 7.8665 7.8665 7.8665 8.1068 8.1068 8.1068 8.1068 10.2870 10.2870 k = 0.5000 0.5000 0.0926 ( 16388 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2746 -6.2746 -6.2746 -6.2746 -4.7130 -4.7130 -4.7130 -4.7130 -3.4403 -3.4403 -3.4403 -3.4403 -3.1130 -3.1130 -3.1130 -3.1130 3.0933 3.0933 3.0933 3.0933 3.5237 3.5237 3.5237 3.5237 3.7511 3.7511 3.7511 3.7511 7.8807 7.8807 7.8807 7.8807 8.1671 8.1671 8.1671 8.1671 10.2763 10.2763 k = 0.5000 0.5000 0.1080 ( 16392 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2757 -6.2757 -6.2757 -6.2757 -4.7120 -4.7120 -4.7120 -4.7120 -3.4387 -3.4387 -3.4387 -3.4387 -3.1124 -3.1124 -3.1124 -3.1124 3.0835 3.0835 3.0835 3.0835 3.5152 3.5152 3.5152 3.5152 3.7502 3.7502 3.7502 3.7502 7.8971 7.8971 7.8971 7.8971 8.2363 8.2363 8.2363 8.2363 10.2624 10.2624 k = 0.5000 0.5000 0.1234 ( 16400 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2770 -6.2770 -6.2770 -6.2770 -4.7108 -4.7108 -4.7108 -4.7108 -3.4369 -3.4369 -3.4369 -3.4369 -3.1116 -3.1116 -3.1116 -3.1116 3.0733 3.0733 3.0733 3.0733 3.5037 3.5037 3.5037 3.5037 3.7515 3.7515 3.7515 3.7515 7.9157 7.9157 7.9157 7.9157 8.3136 8.3136 8.3136 8.3136 10.2444 10.2444 k = 0.5000 0.5000 0.1388 ( 16388 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2783 -6.2783 -6.2783 -6.2783 -4.7096 -4.7096 -4.7096 -4.7096 -3.4351 -3.4351 -3.4351 -3.4351 -3.1108 -3.1108 -3.1108 -3.1108 3.0630 3.0630 3.0630 3.0630 3.4895 3.4895 3.4895 3.4895 3.7550 3.7550 3.7550 3.7550 7.9362 7.9362 7.9362 7.9362 8.3978 8.3978 8.3978 8.3978 10.2206 10.2206 k = 0.5000 0.5000 0.1543 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2796 -6.2796 -6.2796 -6.2796 -4.7084 -4.7084 -4.7084 -4.7084 -3.4333 -3.4333 -3.4333 -3.4333 -3.1100 -3.1100 -3.1100 -3.1100 3.0527 3.0527 3.0527 3.0527 3.4735 3.4735 3.4735 3.4735 3.7601 3.7601 3.7601 3.7601 7.9584 7.9584 7.9584 7.9584 8.4879 8.4879 8.4879 8.4879 10.1806 10.1806 k = 0.5000 0.5000 0.1697 ( 16384 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2809 -6.2809 -6.2809 -6.2809 -4.7072 -4.7072 -4.7072 -4.7072 -3.4315 -3.4315 -3.4315 -3.4315 -3.1092 -3.1092 -3.1092 -3.1092 3.0427 3.0427 3.0427 3.0427 3.4563 3.4563 3.4563 3.4563 3.7664 3.7664 3.7664 3.7664 7.9818 7.9818 7.9818 7.9818 8.5827 8.5827 8.5827 8.5827 10.1048 10.1048 k = 0.5000 0.5000 0.1851 ( 16372 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2822 -6.2822 -6.2822 -6.2822 -4.7061 -4.7061 -4.7061 -4.7061 -3.4297 -3.4297 -3.4297 -3.4297 -3.1083 -3.1083 -3.1083 -3.1083 3.0333 3.0333 3.0333 3.0333 3.4388 3.4388 3.4388 3.4388 3.7734 3.7734 3.7734 3.7734 8.0059 8.0059 8.0059 8.0059 8.6811 8.6811 8.6811 8.6811 10.0207 10.0207 k = 0.5000 0.5000 0.2005 ( 16400 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2835 -6.2835 -6.2835 -6.2835 -4.7049 -4.7049 -4.7049 -4.7049 -3.4280 -3.4280 -3.4280 -3.4280 -3.1075 -3.1075 -3.1075 -3.1075 3.0245 3.0245 3.0245 3.0245 3.4217 3.4217 3.4217 3.4217 3.7806 3.7806 3.7806 3.7806 8.0303 8.0303 8.0303 8.0303 8.7816 8.7816 8.7816 8.7816 9.9406 9.9406 k = 0.5000 0.5000 0.2160 ( 16388 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2846 -6.2846 -6.2846 -6.2846 -4.7039 -4.7039 -4.7039 -4.7039 -3.4265 -3.4265 -3.4265 -3.4265 -3.1067 -3.1067 -3.1067 -3.1067 3.0166 3.0166 3.0166 3.0166 3.4057 3.4057 3.4057 3.4057 3.7876 3.7876 3.7876 3.7876 8.0543 8.0543 8.0543 8.0543 8.8828 8.8828 8.8828 8.8828 9.8670 9.8670 k = 0.5000 0.5000 0.2314 ( 16380 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9169 -18.9169 -18.9169 -18.9169 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7885 -15.7885 -15.7885 -15.7885 -6.2856 -6.2856 -6.2856 -6.2856 -4.7030 -4.7030 -4.7030 -4.7030 -3.4252 -3.4252 -3.4252 -3.4252 -3.1060 -3.1060 -3.1060 -3.1060 3.0096 3.0096 3.0096 3.0096 3.3914 3.3914 3.3914 3.3914 3.7940 3.7940 3.7940 3.7940 8.0769 8.0769 8.0769 8.0769 8.9830 8.9830 8.9830 8.9830 9.8015 9.8015 k = 0.5000 0.5000 0.2468 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2864 -6.2864 -6.2864 -6.2864 -4.7022 -4.7022 -4.7022 -4.7022 -3.4240 -3.4240 -3.4240 -3.4240 -3.1053 -3.1053 -3.1053 -3.1053 3.0038 3.0038 3.0038 3.0038 3.3791 3.3791 3.3791 3.3791 3.7996 3.7996 3.7996 3.7996 8.0974 8.0974 8.0974 8.0974 9.0797 9.0797 9.0797 9.0797 9.7456 9.7456 k = 0.5000 0.5000 0.2622 ( 16404 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2871 -6.2871 -6.2871 -6.2871 -4.7016 -4.7016 -4.7016 -4.7016 -3.4231 -3.4231 -3.4231 -3.4231 -3.1048 -3.1048 -3.1048 -3.1048 2.9991 2.9991 2.9991 2.9991 3.3692 3.3692 3.3692 3.3692 3.8042 3.8042 3.8042 3.8042 8.1146 8.1146 8.1146 8.1146 9.1696 9.1696 9.1696 9.1696 9.7004 9.7004 k = 0.5000 0.5000 0.2777 ( 16396 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2876 -6.2876 -6.2876 -6.2876 -4.7012 -4.7012 -4.7012 -4.7012 -3.4225 -3.4225 -3.4225 -3.4225 -3.1045 -3.1045 -3.1045 -3.1045 2.9957 2.9957 2.9957 2.9957 3.3619 3.3619 3.3619 3.3619 3.8075 3.8075 3.8075 3.8075 8.1278 8.1278 8.1278 8.1278 9.2473 9.2473 9.2473 9.2473 9.6673 9.6673 k = 0.5000 0.5000 0.2931 ( 16428 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2879 -6.2879 -6.2879 -6.2879 -4.7009 -4.7009 -4.7009 -4.7009 -3.4221 -3.4221 -3.4221 -3.4221 -3.1042 -3.1042 -3.1042 -3.1042 2.9937 2.9937 2.9937 2.9937 3.3575 3.3575 3.3575 3.3575 3.8096 3.8096 3.8096 3.8096 8.1361 8.1361 8.1361 8.1361 9.3034 9.3034 9.3034 9.3034 9.6471 9.6471 k = 0.5000 0.5000 0.3085 ( 16432 PWs) bands (ev): -46.8623 -46.8623 -46.8623 -46.8623 -18.9170 -18.9170 -18.9170 -18.9170 -18.7491 -18.7491 -18.7491 -18.7491 -18.7238 -18.7238 -18.7238 -18.7238 -15.7884 -15.7884 -15.7884 -15.7884 -6.2880 -6.2880 -6.2880 -6.2880 -4.7008 -4.7008 -4.7008 -4.7008 -3.4219 -3.4219 -3.4219 -3.4219 -3.1041 -3.1041 -3.1041 -3.1041 2.9930 2.9930 2.9930 2.9930 3.3560 3.3560 3.3560 3.3560 3.8103 3.8103 3.8103 3.8103 8.1389 8.1389 8.1389 8.1389 9.3247 9.3247 9.3247 9.3247 9.6404 9.6404 Writing output data file CsNaSe.save init_run : 0.46s CPU 0.64s WALL ( 1 calls) electrons : 469.67s CPU 474.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 469.67s CPU 474.11s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.14s WALL ( 287 calls) cegterg : 438.12s CPU 441.65s WALL ( 629 calls) Called by sum_band: Called by *egterg: h_psi : 262.02s CPU 265.53s WALL ( 9987 calls) s_psi : 5.14s CPU 5.43s WALL ( 9987 calls) g_psi : 0.43s CPU 0.47s WALL ( 9071 calls) cdiaghg : 146.77s CPU 146.98s WALL ( 9358 calls) cegterg:over : 18.77s CPU 18.70s WALL ( 9071 calls) cegterg:upda : 15.26s CPU 15.29s WALL ( 9071 calls) cegterg:last : 6.43s CPU 6.46s WALL ( 1212 calls) cdiaghg:chol : 5.50s CPU 5.55s WALL ( 9358 calls) cdiaghg:inve : 3.12s CPU 3.18s WALL ( 9358 calls) cdiaghg:para : 8.72s CPU 8.78s WALL ( 18716 calls) Called by h_psi: h_psi:vloc : 235.70s CPU 239.04s WALL ( 9987 calls) h_psi:vnl : 25.67s CPU 25.96s WALL ( 9987 calls) add_vuspsi : 13.94s CPU 14.05s WALL ( 9987 calls) General routines calbec : 11.68s CPU 11.87s WALL ( 9987 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 228.45s CPU 231.41s WALL ( 853068 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.42s WALL ( 574 calls) Parallel routines fft_scatter : 139.54s CPU 141.30s WALL ( 853091 calls) PWSCF : 8m48.17s CPU 9m16.61s WALL This run was terminated on: 15:16:41 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=