Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H4CN2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 80 45 13 2736 1184 187 Max 81 46 14 2739 1196 192 Sum 2885 1653 489 98543 42851 6805 bravais-lattice index = 14 lattice parameter (alat) = 10.5409 a.u. unit-cell volume = 985.8007 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.540892 celldm(2)= 1.000000 celldm(3)= 0.841700 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 0.841700 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.188072 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 8 Sym. Ops. (no inversion) found ( 4 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -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 = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 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 = 5 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 5) = ( -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 = 6 inv. 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 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E 2S4 -2S4 C2 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2S4 7 8 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -7 -8 inv. 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] 2s_d -2s_d 5 -5 6 -6 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0032573 k( 85) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0032573 k( 86) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 87) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0032573 k( 88) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0032573 k( 89) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0032573 k( 90) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 92) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0032573 k( 93) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0032573 k( 94) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0032573 k( 95) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0032573 k( 96) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 97) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0032573 k( 99) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0032573 k( 100) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0032573 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 103) = ( 0.0000000 0.0000000 0.0174717), wk = 0.0032573 k( 104) = ( 0.0000000 0.0000000 0.0349433), wk = 0.0032573 k( 105) = ( 0.0000000 0.0000000 0.0524150), wk = 0.0032573 k( 106) = ( 0.0000000 0.0000000 0.0698866), wk = 0.0032573 k( 107) = ( 0.0000000 0.0000000 0.0873583), wk = 0.0032573 k( 108) = ( 0.0000000 0.0000000 0.1048299), wk = 0.0032573 k( 109) = ( 0.0000000 0.0000000 0.1223016), wk = 0.0032573 k( 110) = ( 0.0000000 0.0000000 0.1397732), wk = 0.0032573 k( 111) = ( 0.0000000 0.0000000 0.1572449), wk = 0.0032573 k( 112) = ( 0.0000000 0.0000000 0.1747165), wk = 0.0032573 k( 113) = ( 0.0000000 0.0000000 0.1921882), wk = 0.0032573 k( 114) = ( 0.0000000 0.0000000 0.2096598), wk = 0.0032573 k( 115) = ( 0.0000000 0.0000000 0.2271315), wk = 0.0032573 k( 116) = ( 0.0000000 0.0000000 0.2446031), wk = 0.0032573 k( 117) = ( 0.0000000 0.0000000 0.2620748), wk = 0.0032573 k( 118) = ( 0.0000000 0.0000000 0.2795465), wk = 0.0032573 k( 119) = ( 0.0000000 0.0000000 0.2970181), wk = 0.0032573 k( 120) = ( 0.0000000 0.0000000 0.3144898), wk = 0.0032573 k( 121) = ( 0.0000000 0.0000000 0.3319614), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.3494331), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.3669047), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.3843764), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.4018480), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.4193197), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.4367913), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.4542630), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.4717346), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.4892063), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.5066779), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.5241496), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.5416212), wk = 0.0032573 k( 134) = ( 0.0000000 0.0000000 0.5590929), wk = 0.0032573 k( 135) = ( 0.0000000 0.0000000 0.5765646), wk = 0.0032573 k( 136) = ( 0.0000000 0.0000000 0.5940362), wk = 0.0032573 k( 137) = ( 0.0000000 0.0000000 0.5940362), wk = 0.0032573 k( 138) = ( 0.0000000 0.0172414 0.5940362), wk = 0.0032573 k( 139) = ( 0.0000000 0.0344828 0.5940362), wk = 0.0032573 k( 140) = ( 0.0000000 0.0517241 0.5940362), wk = 0.0032573 k( 141) = ( 0.0000000 0.0689655 0.5940362), wk = 0.0032573 k( 142) = ( 0.0000000 0.0862069 0.5940362), wk = 0.0032573 k( 143) = ( 0.0000000 0.1034483 0.5940362), wk = 0.0032573 k( 144) = ( 0.0000000 0.1206897 0.5940362), wk = 0.0032573 k( 145) = ( 0.0000000 0.1379310 0.5940362), wk = 0.0032573 k( 146) = ( 0.0000000 0.1551724 0.5940362), wk = 0.0032573 k( 147) = ( 0.0000000 0.1724138 0.5940362), wk = 0.0032573 k( 148) = ( 0.0000000 0.1896552 0.5940362), wk = 0.0032573 k( 149) = ( 0.0000000 0.2068966 0.5940362), wk = 0.0032573 k( 150) = ( 0.0000000 0.2241379 0.5940362), wk = 0.0032573 k( 151) = ( 0.0000000 0.2413793 0.5940362), wk = 0.0032573 k( 152) = ( 0.0000000 0.2586207 0.5940362), wk = 0.0032573 k( 153) = ( 0.0000000 0.2758621 0.5940362), wk = 0.0032573 k( 154) = ( 0.0000000 0.2931034 0.5940362), wk = 0.0032573 k( 155) = ( 0.0000000 0.3103448 0.5940362), wk = 0.0032573 k( 156) = ( 0.0000000 0.3275862 0.5940362), wk = 0.0032573 k( 157) = ( 0.0000000 0.3448276 0.5940362), wk = 0.0032573 k( 158) = ( 0.0000000 0.3620690 0.5940362), wk = 0.0032573 k( 159) = ( 0.0000000 0.3793103 0.5940362), wk = 0.0032573 k( 160) = ( 0.0000000 0.3965517 0.5940362), wk = 0.0032573 k( 161) = ( 0.0000000 0.4137931 0.5940362), wk = 0.0032573 k( 162) = ( 0.0000000 0.4310345 0.5940362), wk = 0.0032573 k( 163) = ( 0.0000000 0.4482759 0.5940362), wk = 0.0032573 k( 164) = ( 0.0000000 0.4655172 0.5940362), wk = 0.0032573 k( 165) = ( 0.0000000 0.4827586 0.5940362), wk = 0.0032573 k( 166) = ( 0.0000000 0.5000000 0.5940362), wk = 0.0032573 k( 167) = ( 0.0000000 0.5000000 0.5940362), wk = 0.0032573 k( 168) = ( 0.0172414 0.5000000 0.5940362), wk = 0.0032573 k( 169) = ( 0.0344828 0.5000000 0.5940362), wk = 0.0032573 k( 170) = ( 0.0517241 0.5000000 0.5940362), wk = 0.0032573 k( 171) = ( 0.0689655 0.5000000 0.5940362), wk = 0.0032573 k( 172) = ( 0.0862069 0.5000000 0.5940362), wk = 0.0032573 k( 173) = ( 0.1034483 0.5000000 0.5940362), wk = 0.0032573 k( 174) = ( 0.1206897 0.5000000 0.5940362), wk = 0.0032573 k( 175) = ( 0.1379310 0.5000000 0.5940362), wk = 0.0032573 k( 176) = ( 0.1551724 0.5000000 0.5940362), wk = 0.0032573 k( 177) = ( 0.1724138 0.5000000 0.5940362), wk = 0.0032573 k( 178) = ( 0.1896552 0.5000000 0.5940362), wk = 0.0032573 k( 179) = ( 0.2068966 0.5000000 0.5940362), wk = 0.0032573 k( 180) = ( 0.2241379 0.5000000 0.5940362), wk = 0.0032573 k( 181) = ( 0.2413793 0.5000000 0.5940362), wk = 0.0032573 k( 182) = ( 0.2586207 0.5000000 0.5940362), wk = 0.0032573 k( 183) = ( 0.2758621 0.5000000 0.5940362), wk = 0.0032573 k( 184) = ( 0.2931034 0.5000000 0.5940362), wk = 0.0032573 k( 185) = ( 0.3103448 0.5000000 0.5940362), wk = 0.0032573 k( 186) = ( 0.3275862 0.5000000 0.5940362), wk = 0.0032573 k( 187) = ( 0.3448276 0.5000000 0.5940362), wk = 0.0032573 k( 188) = ( 0.3620690 0.5000000 0.5940362), wk = 0.0032573 k( 189) = ( 0.3793103 0.5000000 0.5940362), wk = 0.0032573 k( 190) = ( 0.3965517 0.5000000 0.5940362), wk = 0.0032573 k( 191) = ( 0.4137931 0.5000000 0.5940362), wk = 0.0032573 k( 192) = ( 0.4310345 0.5000000 0.5940362), wk = 0.0032573 k( 193) = ( 0.4482759 0.5000000 0.5940362), wk = 0.0032573 k( 194) = ( 0.4655172 0.5000000 0.5940362), wk = 0.0032573 k( 195) = ( 0.4827586 0.5000000 0.5940362), wk = 0.0032573 k( 196) = ( 0.5000000 0.5000000 0.5940362), wk = 0.0032573 k( 197) = ( 0.5000000 0.5000000 0.5940362), wk = 0.0032573 k( 198) = ( 0.4875000 0.4875000 0.5940362), wk = 0.0032573 k( 199) = ( 0.4750000 0.4750000 0.5940362), wk = 0.0032573 k( 200) = ( 0.4625000 0.4625000 0.5940362), wk = 0.0032573 k( 201) = ( 0.4500000 0.4500000 0.5940362), wk = 0.0032573 k( 202) = ( 0.4375000 0.4375000 0.5940362), wk = 0.0032573 k( 203) = ( 0.4250000 0.4250000 0.5940362), wk = 0.0032573 k( 204) = ( 0.4125000 0.4125000 0.5940362), wk = 0.0032573 k( 205) = ( 0.4000000 0.4000000 0.5940362), wk = 0.0032573 k( 206) = ( 0.3875000 0.3875000 0.5940362), wk = 0.0032573 k( 207) = ( 0.3750000 0.3750000 0.5940362), wk = 0.0032573 k( 208) = ( 0.3625000 0.3625000 0.5940362), wk = 0.0032573 k( 209) = ( 0.3500000 0.3500000 0.5940362), wk = 0.0032573 k( 210) = ( 0.3375000 0.3375000 0.5940362), wk = 0.0032573 k( 211) = ( 0.3250000 0.3250000 0.5940362), wk = 0.0032573 k( 212) = ( 0.3125000 0.3125000 0.5940362), wk = 0.0032573 k( 213) = ( 0.3000000 0.3000000 0.5940362), wk = 0.0032573 k( 214) = ( 0.2875000 0.2875000 0.5940362), wk = 0.0032573 k( 215) = ( 0.2750000 0.2750000 0.5940362), wk = 0.0032573 k( 216) = ( 0.2625000 0.2625000 0.5940362), wk = 0.0032573 k( 217) = ( 0.2500000 0.2500000 0.5940362), wk = 0.0032573 k( 218) = ( 0.2375000 0.2375000 0.5940362), wk = 0.0032573 k( 219) = ( 0.2250000 0.2250000 0.5940362), wk = 0.0032573 k( 220) = ( 0.2125000 0.2125000 0.5940362), wk = 0.0032573 k( 221) = ( 0.2000000 0.2000000 0.5940362), wk = 0.0032573 k( 222) = ( 0.1875000 0.1875000 0.5940362), wk = 0.0032573 k( 223) = ( 0.1750000 0.1750000 0.5940362), wk = 0.0032573 k( 224) = ( 0.1625000 0.1625000 0.5940362), wk = 0.0032573 k( 225) = ( 0.1500000 0.1500000 0.5940362), wk = 0.0032573 k( 226) = ( 0.1375000 0.1375000 0.5940362), wk = 0.0032573 k( 227) = ( 0.1250000 0.1250000 0.5940362), wk = 0.0032573 k( 228) = ( 0.1125000 0.1125000 0.5940362), wk = 0.0032573 k( 229) = ( 0.1000000 0.1000000 0.5940362), wk = 0.0032573 k( 230) = ( 0.0875000 0.0875000 0.5940362), wk = 0.0032573 k( 231) = ( 0.0750000 0.0750000 0.5940362), wk = 0.0032573 k( 232) = ( 0.0625000 0.0625000 0.5940362), wk = 0.0032573 k( 233) = ( 0.0500000 0.0500000 0.5940362), wk = 0.0032573 k( 234) = ( 0.0375000 0.0375000 0.5940362), wk = 0.0032573 k( 235) = ( 0.0250000 0.0250000 0.5940362), wk = 0.0032573 k( 236) = ( 0.0125000 0.0125000 0.5940362), wk = 0.0032573 k( 237) = ( 0.0000000 0.0000000 0.5940362), wk = 0.0032573 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 239) = ( 0.0000000 0.5000000 0.0174717), wk = 0.0032573 k( 240) = ( 0.0000000 0.5000000 0.0349433), wk = 0.0032573 k( 241) = ( 0.0000000 0.5000000 0.0524150), wk = 0.0032573 k( 242) = ( 0.0000000 0.5000000 0.0698866), wk = 0.0032573 k( 243) = ( 0.0000000 0.5000000 0.0873583), wk = 0.0032573 k( 244) = ( 0.0000000 0.5000000 0.1048299), wk = 0.0032573 k( 245) = ( 0.0000000 0.5000000 0.1223016), wk = 0.0032573 k( 246) = ( 0.0000000 0.5000000 0.1397732), wk = 0.0032573 k( 247) = ( 0.0000000 0.5000000 0.1572449), wk = 0.0032573 k( 248) = ( 0.0000000 0.5000000 0.1747165), wk = 0.0032573 k( 249) = ( 0.0000000 0.5000000 0.1921882), wk = 0.0032573 k( 250) = ( 0.0000000 0.5000000 0.2096598), wk = 0.0032573 k( 251) = ( 0.0000000 0.5000000 0.2271315), wk = 0.0032573 k( 252) = ( 0.0000000 0.5000000 0.2446031), wk = 0.0032573 k( 253) = ( 0.0000000 0.5000000 0.2620748), wk = 0.0032573 k( 254) = ( 0.0000000 0.5000000 0.2795465), wk = 0.0032573 k( 255) = ( 0.0000000 0.5000000 0.2970181), wk = 0.0032573 k( 256) = ( 0.0000000 0.5000000 0.3144898), wk = 0.0032573 k( 257) = ( 0.0000000 0.5000000 0.3319614), wk = 0.0032573 k( 258) = ( 0.0000000 0.5000000 0.3494331), wk = 0.0032573 k( 259) = ( 0.0000000 0.5000000 0.3669047), wk = 0.0032573 k( 260) = ( 0.0000000 0.5000000 0.3843764), wk = 0.0032573 k( 261) = ( 0.0000000 0.5000000 0.4018480), wk = 0.0032573 k( 262) = ( 0.0000000 0.5000000 0.4193197), wk = 0.0032573 k( 263) = ( 0.0000000 0.5000000 0.4367913), wk = 0.0032573 k( 264) = ( 0.0000000 0.5000000 0.4542630), wk = 0.0032573 k( 265) = ( 0.0000000 0.5000000 0.4717346), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.4892063), wk = 0.0032573 k( 267) = ( 0.0000000 0.5000000 0.5066779), wk = 0.0032573 k( 268) = ( 0.0000000 0.5000000 0.5241496), wk = 0.0032573 k( 269) = ( 0.0000000 0.5000000 0.5416212), wk = 0.0032573 k( 270) = ( 0.0000000 0.5000000 0.5590929), wk = 0.0032573 k( 271) = ( 0.0000000 0.5000000 0.5765646), wk = 0.0032573 k( 272) = ( 0.0000000 0.5000000 0.5940362), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0174717), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.0349433), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.0524150), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.0698866), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.0873583), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1048299), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1223016), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1397732), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1572449), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.1747165), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.1921882), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2096598), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2271315), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2446031), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2620748), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2795465), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2970181), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3144898), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3319614), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3494331), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3669047), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3843764), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.4018480), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.4193197), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.4367913), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4542630), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4717346), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4892063), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.5066779), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.5241496), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.5416212), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.5590929), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.5765646), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5940362), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0032573 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0032573 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0032573 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0032573 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0032573 k( 64) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0032573 k( 65) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0032573 k( 66) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0032573 k( 80) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0032573 k( 83) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0032573 k( 84) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0032573 k( 85) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0032573 k( 86) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 87) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0032573 k( 88) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0032573 k( 89) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0032573 k( 90) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 92) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0032573 k( 93) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0032573 k( 94) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0032573 k( 95) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0032573 k( 96) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 97) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0032573 k( 99) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0032573 k( 100) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0032573 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 103) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0032573 k( 104) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032573 k( 105) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0032573 k( 106) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032573 k( 107) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0032573 k( 108) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032573 k( 109) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0032573 k( 110) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032573 k( 111) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0032573 k( 112) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032573 k( 113) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0032573 k( 114) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032573 k( 115) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0032573 k( 116) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0032573 k( 117) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0032573 k( 118) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032573 k( 119) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032573 k( 120) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032573 k( 121) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0032573 k( 122) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032573 k( 123) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0032573 k( 124) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032573 k( 125) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0032573 k( 126) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032573 k( 127) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0032573 k( 130) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032573 k( 131) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0032573 k( 132) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032573 k( 133) = ( 0.0000000 0.0000000 0.4558824), wk = 0.0032573 k( 134) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032573 k( 135) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0032573 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 138) = ( 0.0000000 0.0172414 0.5000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0344828 0.5000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0517241 0.5000000), wk = 0.0032573 k( 141) = ( 0.0000000 0.0689655 0.5000000), wk = 0.0032573 k( 142) = ( 0.0000000 0.0862069 0.5000000), wk = 0.0032573 k( 143) = ( 0.0000000 0.1034483 0.5000000), wk = 0.0032573 k( 144) = ( 0.0000000 0.1206897 0.5000000), wk = 0.0032573 k( 145) = ( 0.0000000 0.1379310 0.5000000), wk = 0.0032573 k( 146) = ( 0.0000000 0.1551724 0.5000000), wk = 0.0032573 k( 147) = ( 0.0000000 0.1724138 0.5000000), wk = 0.0032573 k( 148) = ( 0.0000000 0.1896552 0.5000000), wk = 0.0032573 k( 149) = ( 0.0000000 0.2068966 0.5000000), wk = 0.0032573 k( 150) = ( 0.0000000 0.2241379 0.5000000), wk = 0.0032573 k( 151) = ( 0.0000000 0.2413793 0.5000000), wk = 0.0032573 k( 152) = ( 0.0000000 0.2586207 0.5000000), wk = 0.0032573 k( 153) = ( 0.0000000 0.2758621 0.5000000), wk = 0.0032573 k( 154) = ( 0.0000000 0.2931034 0.5000000), wk = 0.0032573 k( 155) = ( 0.0000000 0.3103448 0.5000000), wk = 0.0032573 k( 156) = ( 0.0000000 0.3275862 0.5000000), wk = 0.0032573 k( 157) = ( 0.0000000 0.3448276 0.5000000), wk = 0.0032573 k( 158) = ( 0.0000000 0.3620690 0.5000000), wk = 0.0032573 k( 159) = ( 0.0000000 0.3793103 0.5000000), wk = 0.0032573 k( 160) = ( 0.0000000 0.3965517 0.5000000), wk = 0.0032573 k( 161) = ( 0.0000000 0.4137931 0.5000000), wk = 0.0032573 k( 162) = ( 0.0000000 0.4310345 0.5000000), wk = 0.0032573 k( 163) = ( 0.0000000 0.4482759 0.5000000), wk = 0.0032573 k( 164) = ( 0.0000000 0.4655172 0.5000000), wk = 0.0032573 k( 165) = ( 0.0000000 0.4827586 0.5000000), wk = 0.0032573 k( 166) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 167) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 168) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0032573 k( 169) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0032573 k( 170) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0032573 k( 171) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0032573 k( 172) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0032573 k( 173) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0032573 k( 174) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0032573 k( 175) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0032573 k( 176) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0032573 k( 177) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0032573 k( 178) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0032573 k( 179) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0032573 k( 180) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0032573 k( 181) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0032573 k( 182) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0032573 k( 183) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0032573 k( 184) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0032573 k( 185) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0032573 k( 186) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0032573 k( 187) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0032573 k( 188) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0032573 k( 189) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0032573 k( 190) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0032573 k( 191) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0032573 k( 192) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0032573 k( 193) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0032573 k( 194) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0032573 k( 195) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0032573 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 198) = ( 0.4875000 0.4875000 0.5000000), wk = 0.0032573 k( 199) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0032573 k( 200) = ( 0.4625000 0.4625000 0.5000000), wk = 0.0032573 k( 201) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0032573 k( 202) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0032573 k( 203) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0032573 k( 204) = ( 0.4125000 0.4125000 0.5000000), wk = 0.0032573 k( 205) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0032573 k( 206) = ( 0.3875000 0.3875000 0.5000000), wk = 0.0032573 k( 207) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0032573 k( 208) = ( 0.3625000 0.3625000 0.5000000), wk = 0.0032573 k( 209) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0032573 k( 210) = ( 0.3375000 0.3375000 0.5000000), wk = 0.0032573 k( 211) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0032573 k( 212) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0032573 k( 213) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0032573 k( 214) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0032573 k( 215) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0032573 k( 216) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0032573 k( 217) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032573 k( 218) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0032573 k( 219) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0032573 k( 220) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0032573 k( 221) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0032573 k( 222) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0032573 k( 223) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0032573 k( 224) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0032573 k( 225) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0032573 k( 226) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0032573 k( 227) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0032573 k( 228) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0032573 k( 229) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0032573 k( 230) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0032573 k( 231) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0032573 k( 232) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0032573 k( 233) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0032573 k( 234) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0032573 k( 235) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0032573 k( 236) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0032573 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 238) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 239) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0032573 k( 240) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0032573 k( 241) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0032573 k( 242) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0032573 k( 243) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0032573 k( 244) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0032573 k( 245) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0032573 k( 246) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0032573 k( 247) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0032573 k( 248) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0032573 k( 249) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0032573 k( 250) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0032573 k( 251) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0032573 k( 252) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0032573 k( 253) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0032573 k( 254) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0032573 k( 255) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0032573 k( 256) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0032573 k( 257) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0032573 k( 258) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0032573 k( 259) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0032573 k( 260) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0032573 k( 261) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0032573 k( 262) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0032573 k( 263) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0032573 k( 264) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0032573 k( 265) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0032573 k( 267) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0032573 k( 268) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0032573 k( 269) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0032573 k( 270) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0032573 k( 271) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0032573 k( 272) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4558824), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 98543 G-vectors FFT dimensions: ( 64, 64, 54) Smooth grid: 42851 G-vectors FFT dimensions: ( 48, 48, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 302, 58) NL pseudopotentials 0.29 Mb ( 151, 128) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2738) G-vector shells 0.01 Mb ( 1304) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 302, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.23 Mb ( 128, 2, 58) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./H4CN2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.2 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 12.9 secs Computing kpt #: 16 total cpu time spent up to now is 13.6 secs Computing kpt #: 17 total cpu time spent up to now is 14.3 secs Computing kpt #: 18 total cpu time spent up to now is 14.9 secs Computing kpt #: 19 total cpu time spent up to now is 15.6 secs Computing kpt #: 20 total cpu time spent up to now is 16.3 secs Computing kpt #: 21 total cpu time spent up to now is 16.9 secs Computing kpt #: 22 total cpu time spent up to now is 17.6 secs Computing kpt #: 23 total cpu time spent up to now is 18.3 secs Computing kpt #: 24 total cpu time spent up to now is 19.0 secs Computing kpt #: 25 total cpu time spent up to now is 19.8 secs Computing kpt #: 26 total cpu time spent up to now is 20.5 secs Computing kpt #: 27 total cpu time spent up to now is 21.3 secs Computing kpt #: 28 total cpu time spent up to now is 22.1 secs Computing kpt #: 29 total cpu time spent up to now is 22.9 secs Computing kpt #: 30 total cpu time spent up to now is 23.6 secs Computing kpt #: 31 total cpu time spent up to now is 24.3 secs Computing kpt #: 32 total cpu time spent up to now is 25.0 secs Computing kpt #: 33 total cpu time spent up to now is 25.7 secs Computing kpt #: 34 total cpu time spent up to now is 26.5 secs Computing kpt #: 35 total cpu time spent up to now is 27.4 secs Computing kpt #: 36 total cpu time spent up to now is 28.2 secs Computing kpt #: 37 total cpu time spent up to now is 29.0 secs Computing kpt #: 38 total cpu time spent up to now is 29.8 secs Computing kpt #: 39 total cpu time spent up to now is 30.7 secs Computing kpt #: 40 total cpu time spent up to now is 31.5 secs Computing kpt #: 41 total cpu time spent up to now is 32.4 secs Computing kpt #: 42 total cpu time spent up to now is 33.3 secs Computing kpt #: 43 total cpu time spent up to now is 34.2 secs Computing kpt #: 44 total cpu time spent up to now is 35.1 secs Computing kpt #: 45 total cpu time spent up to now is 36.0 secs Computing kpt #: 46 total cpu time spent up to now is 36.9 secs Computing kpt #: 47 total cpu time spent up to now is 37.7 secs Computing kpt #: 48 total cpu time spent up to now is 38.5 secs Computing kpt #: 49 total cpu time spent up to now is 39.4 secs Computing kpt #: 50 total cpu time spent up to now is 40.3 secs Computing kpt #: 51 total cpu time spent up to now is 41.1 secs Computing kpt #: 52 total cpu time spent up to now is 41.9 secs Computing kpt #: 53 total cpu time spent up to now is 42.7 secs Computing kpt #: 54 total cpu time spent up to now is 43.6 secs Computing kpt #: 55 total cpu time spent up to now is 44.4 secs Computing kpt #: 56 total cpu time spent up to now is 45.2 secs Computing kpt #: 57 total cpu time spent up to now is 45.9 secs Computing kpt #: 58 total cpu time spent up to now is 46.5 secs Computing kpt #: 59 total cpu time spent up to now is 47.1 secs Computing kpt #: 60 total cpu time spent up to now is 47.7 secs Computing kpt #: 61 total cpu time spent up to now is 48.3 secs Computing kpt #: 62 total cpu time spent up to now is 49.1 secs Computing kpt #: 63 total cpu time spent up to now is 49.8 secs Computing kpt #: 64 total cpu time spent up to now is 50.6 secs Computing kpt #: 65 total cpu time spent up to now is 51.4 secs Computing kpt #: 66 total cpu time spent up to now is 52.2 secs Computing kpt #: 67 total cpu time spent up to now is 52.9 secs Computing kpt #: 68 total cpu time spent up to now is 53.7 secs Computing kpt #: 69 total cpu time spent up to now is 54.4 secs Computing kpt #: 70 total cpu time spent up to now is 55.2 secs Computing kpt #: 71 total cpu time spent up to now is 55.9 secs Computing kpt #: 72 total cpu time spent up to now is 56.6 secs Computing kpt #: 73 total cpu time spent up to now is 57.4 secs Computing kpt #: 74 total cpu time spent up to now is 58.0 secs Computing kpt #: 75 total cpu time spent up to now is 58.7 secs Computing kpt #: 76 total cpu time spent up to now is 59.4 secs Computing kpt #: 77 total cpu time spent up to now is 60.1 secs Computing kpt #: 78 total cpu time spent up to now is 60.8 secs Computing kpt #: 79 total cpu time spent up to now is 61.5 secs Computing kpt #: 80 total cpu time spent up to now is 62.2 secs Computing kpt #: 81 total cpu time spent up to now is 62.9 secs Computing kpt #: 82 total cpu time spent up to now is 63.6 secs Computing kpt #: 83 total cpu time spent up to now is 64.3 secs Computing kpt #: 84 total cpu time spent up to now is 65.1 secs Computing kpt #: 85 total cpu time spent up to now is 65.9 secs Computing kpt #: 86 total cpu time spent up to now is 66.6 secs Computing kpt #: 87 total cpu time spent up to now is 67.4 secs Computing kpt #: 88 total cpu time spent up to now is 68.2 secs Computing kpt #: 89 total cpu time spent up to now is 69.0 secs Computing kpt #: 90 total cpu time spent up to now is 69.8 secs Computing kpt #: 91 total cpu time spent up to now is 70.7 secs Computing kpt #: 92 total cpu time spent up to now is 71.4 secs Computing kpt #: 93 total cpu time spent up to now is 72.2 secs Computing kpt #: 94 total cpu time spent up to now is 73.0 secs Computing kpt #: 95 total cpu time spent up to now is 73.8 secs Computing kpt #: 96 total cpu time spent up to now is 74.7 secs Computing kpt #: 97 total cpu time spent up to now is 75.5 secs Computing kpt #: 98 total cpu time spent up to now is 76.3 secs Computing kpt #: 99 total cpu time spent up to now is 77.2 secs Computing kpt #: 100 total cpu time spent up to now is 78.1 secs Computing kpt #: 101 total cpu time spent up to now is 79.1 secs Computing kpt #: 102 total cpu time spent up to now is 80.1 secs Computing kpt #: 103 total cpu time spent up to now is 81.0 secs Computing kpt #: 104 total cpu time spent up to now is 82.1 secs Computing kpt #: 105 total cpu time spent up to now is 83.1 secs Computing kpt #: 106 total cpu time spent up to now is 84.1 secs Computing kpt #: 107 total cpu time spent up to now is 85.1 secs Computing kpt #: 108 total cpu time spent up to now is 86.1 secs Computing kpt #: 109 total cpu time spent up to now is 87.4 secs Computing kpt #: 110 total cpu time spent up to now is 88.7 secs Computing kpt #: 111 total cpu time spent up to now is 90.1 secs Computing kpt #: 112 total cpu time spent up to now is 91.5 secs Computing kpt #: 113 total cpu time spent up to now is 93.1 secs Computing kpt #: 114 total cpu time spent up to now is 94.2 secs Computing kpt #: 115 total cpu time spent up to now is 95.3 secs Computing kpt #: 116 total cpu time spent up to now is 96.4 secs Computing kpt #: 117 total cpu time spent up to now is 97.4 secs Computing kpt #: 118 total cpu time spent up to now is 98.5 secs Computing kpt #: 119 total cpu time spent up to now is 99.5 secs Computing kpt #: 120 total cpu time spent up to now is 100.5 secs Computing kpt #: 121 total cpu time spent up to now is 101.4 secs Computing kpt #: 122 total cpu time spent up to now is 102.2 secs Computing kpt #: 123 total cpu time spent up to now is 103.2 secs Computing kpt #: 124 total cpu time spent up to now is 104.2 secs Computing kpt #: 125 total cpu time spent up to now is 105.1 secs Computing kpt #: 126 total cpu time spent up to now is 106.0 secs Computing kpt #: 127 total cpu time spent up to now is 107.0 secs Computing kpt #: 128 total cpu time spent up to now is 107.9 secs Computing kpt #: 129 total cpu time spent up to now is 108.8 secs Computing kpt #: 130 total cpu time spent up to now is 109.7 secs Computing kpt #: 131 total cpu time spent up to now is 110.6 secs Computing kpt #: 132 total cpu time spent up to now is 111.5 secs Computing kpt #: 133 total cpu time spent up to now is 112.4 secs Computing kpt #: 134 total cpu time spent up to now is 113.2 secs Computing kpt #: 135 total cpu time spent up to now is 114.1 secs Computing kpt #: 136 total cpu time spent up to now is 115.0 secs Computing kpt #: 137 total cpu time spent up to now is 115.9 secs Computing kpt #: 138 total cpu time spent up to now is 116.7 secs Computing kpt #: 139 total cpu time spent up to now is 117.5 secs Computing kpt #: 140 total cpu time spent up to now is 118.3 secs Computing kpt #: 141 total cpu time spent up to now is 119.1 secs Computing kpt #: 142 total cpu time spent up to now is 119.9 secs Computing kpt #: 143 total cpu time spent up to now is 120.8 secs Computing kpt #: 144 total cpu time spent up to now is 121.6 secs Computing kpt #: 145 total cpu time spent up to now is 122.5 secs Computing kpt #: 146 total cpu time spent up to now is 123.4 secs Computing kpt #: 147 total cpu time spent up to now is 124.4 secs Computing kpt #: 148 total cpu time spent up to now is 125.4 secs Computing kpt #: 149 total cpu time spent up to now is 126.3 secs Computing kpt #: 150 total cpu time spent up to now is 127.1 secs Computing kpt #: 151 total cpu time spent up to now is 128.0 secs Computing kpt #: 152 total cpu time spent up to now is 128.9 secs Computing kpt #: 153 total cpu time spent up to now is 129.8 secs Computing kpt #: 154 total cpu time spent up to now is 130.7 secs Computing kpt #: 155 total cpu time spent up to now is 131.5 secs Computing kpt #: 156 total cpu time spent up to now is 132.4 secs Computing kpt #: 157 total cpu time spent up to now is 133.2 secs Computing kpt #: 158 total cpu time spent up to now is 134.1 secs Computing kpt #: 159 total cpu time spent up to now is 135.0 secs Computing kpt #: 160 total cpu time spent up to now is 135.8 secs Computing kpt #: 161 total cpu time spent up to now is 136.7 secs Computing kpt #: 162 total cpu time spent up to now is 137.5 secs Computing kpt #: 163 total cpu time spent up to now is 138.4 secs Computing kpt #: 164 total cpu time spent up to now is 139.1 secs Computing kpt #: 165 total cpu time spent up to now is 140.0 secs Computing kpt #: 166 total cpu time spent up to now is 140.9 secs Computing kpt #: 167 total cpu time spent up to now is 141.8 secs Computing kpt #: 168 total cpu time spent up to now is 142.6 secs Computing kpt #: 169 total cpu time spent up to now is 143.5 secs Computing kpt #: 170 total cpu time spent up to now is 144.4 secs Computing kpt #: 171 total cpu time spent up to now is 145.2 secs Computing kpt #: 172 total cpu time spent up to now is 146.1 secs Computing kpt #: 173 total cpu time spent up to now is 147.0 secs Computing kpt #: 174 total cpu time spent up to now is 147.9 secs Computing kpt #: 175 total cpu time spent up to now is 148.8 secs Computing kpt #: 176 total cpu time spent up to now is 149.6 secs Computing kpt #: 177 total cpu time spent up to now is 150.6 secs Computing kpt #: 178 total cpu time spent up to now is 151.4 secs Computing kpt #: 179 total cpu time spent up to now is 152.3 secs Computing kpt #: 180 total cpu time spent up to now is 153.2 secs Computing kpt #: 181 total cpu time spent up to now is 154.2 secs Computing kpt #: 182 total cpu time spent up to now is 155.0 secs Computing kpt #: 183 total cpu time spent up to now is 155.9 secs Computing kpt #: 184 total cpu time spent up to now is 156.8 secs Computing kpt #: 185 total cpu time spent up to now is 157.7 secs Computing kpt #: 186 total cpu time spent up to now is 158.6 secs Computing kpt #: 187 total cpu time spent up to now is 159.6 secs Computing kpt #: 188 total cpu time spent up to now is 160.4 secs Computing kpt #: 189 total cpu time spent up to now is 161.3 secs Computing kpt #: 190 total cpu time spent up to now is 162.2 secs Computing kpt #: 191 total cpu time spent up to now is 163.1 secs Computing kpt #: 192 total cpu time spent up to now is 164.0 secs Computing kpt #: 193 total cpu time spent up to now is 165.0 secs Computing kpt #: 194 total cpu time spent up to now is 165.9 secs Computing kpt #: 195 total cpu time spent up to now is 166.7 secs Computing kpt #: 196 total cpu time spent up to now is 167.5 secs Computing kpt #: 197 total cpu time spent up to now is 168.3 secs Computing kpt #: 198 total cpu time spent up to now is 169.2 secs Computing kpt #: 199 total cpu time spent up to now is 170.0 secs Computing kpt #: 200 total cpu time spent up to now is 170.9 secs Computing kpt #: 201 total cpu time spent up to now is 171.8 secs Computing kpt #: 202 total cpu time spent up to now is 172.6 secs Computing kpt #: 203 total cpu time spent up to now is 173.4 secs Computing kpt #: 204 total cpu time spent up to now is 174.2 secs Computing kpt #: 205 total cpu time spent up to now is 175.1 secs Computing kpt #: 206 total cpu time spent up to now is 176.0 secs Computing kpt #: 207 total cpu time spent up to now is 176.8 secs Computing kpt #: 208 total cpu time spent up to now is 177.6 secs Computing kpt #: 209 total cpu time spent up to now is 178.5 secs Computing kpt #: 210 total cpu time spent up to now is 179.3 secs Computing kpt #: 211 total cpu time spent up to now is 180.2 secs Computing kpt #: 212 total cpu time spent up to now is 181.0 secs Computing kpt #: 213 total cpu time spent up to now is 181.9 secs Computing kpt #: 214 total cpu time spent up to now is 182.7 secs Computing kpt #: 215 total cpu time spent up to now is 183.6 secs Computing kpt #: 216 total cpu time spent up to now is 184.4 secs Computing kpt #: 217 total cpu time spent up to now is 185.3 secs Computing kpt #: 218 total cpu time spent up to now is 186.1 secs Computing kpt #: 219 total cpu time spent up to now is 187.0 secs Computing kpt #: 220 total cpu time spent up to now is 187.9 secs Computing kpt #: 221 total cpu time spent up to now is 188.8 secs Computing kpt #: 222 total cpu time spent up to now is 189.6 secs Computing kpt #: 223 total cpu time spent up to now is 190.5 secs Computing kpt #: 224 total cpu time spent up to now is 191.4 secs Computing kpt #: 225 total cpu time spent up to now is 192.3 secs Computing kpt #: 226 total cpu time spent up to now is 193.2 secs Computing kpt #: 227 total cpu time spent up to now is 194.0 secs Computing kpt #: 228 total cpu time spent up to now is 194.8 secs Computing kpt #: 229 total cpu time spent up to now is 195.6 secs Computing kpt #: 230 total cpu time spent up to now is 196.5 secs Computing kpt #: 231 total cpu time spent up to now is 197.3 secs Computing kpt #: 232 total cpu time spent up to now is 198.2 secs Computing kpt #: 233 total cpu time spent up to now is 198.9 secs Computing kpt #: 234 total cpu time spent up to now is 199.7 secs Computing kpt #: 235 total cpu time spent up to now is 200.6 secs Computing kpt #: 236 total cpu time spent up to now is 201.4 secs Computing kpt #: 237 total cpu time spent up to now is 202.2 secs Computing kpt #: 238 total cpu time spent up to now is 202.9 secs Computing kpt #: 239 total cpu time spent up to now is 203.7 secs Computing kpt #: 240 total cpu time spent up to now is 204.6 secs Computing kpt #: 241 total cpu time spent up to now is 205.4 secs Computing kpt #: 242 total cpu time spent up to now is 206.2 secs Computing kpt #: 243 total cpu time spent up to now is 207.1 secs Computing kpt #: 244 total cpu time spent up to now is 208.0 secs Computing kpt #: 245 total cpu time spent up to now is 208.9 secs Computing kpt #: 246 total cpu time spent up to now is 210.0 secs Computing kpt #: 247 total cpu time spent up to now is 210.9 secs Computing kpt #: 248 total cpu time spent up to now is 211.9 secs Computing kpt #: 249 total cpu time spent up to now is 213.0 secs Computing kpt #: 250 total cpu time spent up to now is 214.1 secs Computing kpt #: 251 total cpu time spent up to now is 215.2 secs Computing kpt #: 252 total cpu time spent up to now is 216.8 secs Computing kpt #: 253 total cpu time spent up to now is 218.5 secs Computing kpt #: 254 total cpu time spent up to now is 220.4 secs Computing kpt #: 255 total cpu time spent up to now is 221.4 secs Computing kpt #: 256 total cpu time spent up to now is 222.6 secs Computing kpt #: 257 total cpu time spent up to now is 223.7 secs Computing kpt #: 258 total cpu time spent up to now is 224.6 secs Computing kpt #: 259 total cpu time spent up to now is 225.7 secs Computing kpt #: 260 total cpu time spent up to now is 226.7 secs Computing kpt #: 261 total cpu time spent up to now is 227.6 secs Computing kpt #: 262 total cpu time spent up to now is 228.8 secs Computing kpt #: 263 total cpu time spent up to now is 229.9 secs Computing kpt #: 264 total cpu time spent up to now is 230.8 secs Computing kpt #: 265 total cpu time spent up to now is 231.8 secs Computing kpt #: 266 total cpu time spent up to now is 232.7 secs Computing kpt #: 267 total cpu time spent up to now is 233.6 secs Computing kpt #: 268 total cpu time spent up to now is 234.5 secs Computing kpt #: 269 total cpu time spent up to now is 235.4 secs Computing kpt #: 270 total cpu time spent up to now is 236.4 secs Computing kpt #: 271 total cpu time spent up to now is 237.2 secs Computing kpt #: 272 total cpu time spent up to now is 238.1 secs Computing kpt #: 273 total cpu time spent up to now is 238.7 secs Computing kpt #: 274 total cpu time spent up to now is 239.3 secs Computing kpt #: 275 total cpu time spent up to now is 240.0 secs Computing kpt #: 276 total cpu time spent up to now is 240.6 secs Computing kpt #: 277 total cpu time spent up to now is 241.2 secs Computing kpt #: 278 total cpu time spent up to now is 241.8 secs Computing kpt #: 279 total cpu time spent up to now is 242.4 secs Computing kpt #: 280 total cpu time spent up to now is 243.1 secs Computing kpt #: 281 total cpu time spent up to now is 243.7 secs Computing kpt #: 282 total cpu time spent up to now is 244.3 secs Computing kpt #: 283 total cpu time spent up to now is 245.0 secs Computing kpt #: 284 total cpu time spent up to now is 245.6 secs Computing kpt #: 285 total cpu time spent up to now is 246.2 secs Computing kpt #: 286 total cpu time spent up to now is 246.9 secs Computing kpt #: 287 total cpu time spent up to now is 247.5 secs Computing kpt #: 288 total cpu time spent up to now is 248.2 secs Computing kpt #: 289 total cpu time spent up to now is 248.8 secs Computing kpt #: 290 total cpu time spent up to now is 249.5 secs Computing kpt #: 291 total cpu time spent up to now is 250.2 secs Computing kpt #: 292 total cpu time spent up to now is 250.9 secs Computing kpt #: 293 total cpu time spent up to now is 251.6 secs Computing kpt #: 294 total cpu time spent up to now is 252.3 secs Computing kpt #: 295 total cpu time spent up to now is 253.0 secs Computing kpt #: 296 total cpu time spent up to now is 253.7 secs Computing kpt #: 297 total cpu time spent up to now is 254.4 secs Computing kpt #: 298 total cpu time spent up to now is 255.2 secs Computing kpt #: 299 total cpu time spent up to now is 255.9 secs Computing kpt #: 300 total cpu time spent up to now is 256.7 secs Computing kpt #: 301 total cpu time spent up to now is 257.5 secs Computing kpt #: 302 total cpu time spent up to now is 258.3 secs Computing kpt #: 303 total cpu time spent up to now is 259.1 secs Computing kpt #: 304 total cpu time spent up to now is 259.9 secs Computing kpt #: 305 total cpu time spent up to now is 260.7 secs Computing kpt #: 306 total cpu time spent up to now is 261.5 secs Computing kpt #: 307 total cpu time spent up to now is 262.3 secs ethr = 2.08E-08, avg # of iterations = 28.1 total cpu time spent up to now is 262.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5375 PWs) bands (ev): -20.4195 -20.4195 -20.2353 -20.2353 -16.8747 -16.8747 -16.8371 -16.8371 -15.7524 -15.7524 -15.7523 -15.7523 -9.6519 -9.6519 -9.0287 -9.0287 -8.2175 -8.2175 -7.3887 -7.3887 -7.3851 -7.3851 -7.3824 -7.3824 -5.8632 -5.8632 -5.8621 -5.8621 -4.3798 -4.3798 -4.3781 -4.3781 -3.9835 -3.9835 -3.5563 -3.5563 -0.9437 -0.9437 -0.9411 -0.9411 -0.8863 -0.8863 -0.4779 -0.4779 -0.4754 -0.4754 0.1557 0.1557 5.2912 5.2912 6.1625 6.1625 6.1632 6.1632 8.0825 8.0825 9.2653 9.2653 k = 0.0000 0.0172-0.0000 ( 5387 PWs) bands (ev): -20.4194 -20.4194 -20.2354 -20.2354 -16.8747 -16.8747 -16.8371 -16.8371 -15.7524 -15.7524 -15.7523 -15.7523 -9.6516 -9.6515 -9.0294 -9.0293 -8.2173 -8.2172 -7.3969 -7.3927 -7.3849 -7.3849 -7.3796 -7.3754 -5.8622 -5.8621 -5.8610 -5.8609 -4.3807 -4.3807 -4.3790 -4.3788 -3.9828 -3.9827 -3.5565 -3.5564 -0.9447 -0.9444 -0.9418 -0.9417 -0.8844 -0.8841 -0.4780 -0.4780 -0.4755 -0.4755 0.1554 0.1555 5.2928 5.2928 6.1620 6.1621 6.1630 6.1630 8.0837 8.0837 9.2571 9.2574 k = 0.0000 0.0345-0.0000 ( 5389 PWs) bands (ev): -20.4190 -20.4190 -20.2358 -20.2358 -16.8746 -16.8746 -16.8372 -16.8372 -15.7524 -15.7524 -15.7523 -15.7523 -9.6506 -9.6506 -9.0313 -9.0312 -8.2164 -8.2163 -7.4069 -7.4027 -7.3848 -7.3847 -7.3731 -7.3688 -5.8595 -5.8593 -5.8572 -5.8570 -4.3839 -4.3837 -4.3810 -4.3809 -3.9807 -3.9805 -3.5572 -3.5570 -0.9478 -0.9472 -0.9429 -0.9428 -0.8789 -0.8783 -0.4784 -0.4784 -0.4757 -0.4756 0.1547 0.1548 5.2977 5.2978 6.1603 6.1603 6.1628 6.1628 8.0870 8.0871 9.2327 9.2333 k = 0.0000 0.0517-0.0000 ( 5377 PWs) bands (ev): -20.4183 -20.4183 -20.2365 -20.2365 -16.8744 -16.8744 -16.8373 -16.8373 -15.7524 -15.7524 -15.7523 -15.7523 -9.6489 -9.6489 -9.0344 -9.0343 -8.2149 -8.2148 -7.4182 -7.4140 -7.3844 -7.3843 -7.3674 -7.3631 -5.8553 -5.8550 -5.8507 -5.8503 -4.3895 -4.3890 -4.3841 -4.3840 -3.9772 -3.9769 -3.5582 -3.5580 -0.9523 -0.9516 -0.9441 -0.9440 -0.8707 -0.8699 -0.4793 -0.4793 -0.4757 -0.4756 0.1534 0.1535 5.3059 5.3059 6.1573 6.1574 6.1628 6.1628 8.0926 8.0927 9.1925 9.1932 k = 0.0000 0.0690-0.0000 ( 5377 PWs) bands (ev): -20.4174 -20.4174 -20.2375 -20.2374 -16.8742 -16.8742 -16.8375 -16.8375 -15.7524 -15.7524 -15.7523 -15.7523 -9.6466 -9.6465 -9.0387 -9.0386 -8.2128 -8.2126 -7.4309 -7.4267 -7.3839 -7.3837 -7.3625 -7.3583 -5.8494 -5.8492 -5.8416 -5.8410 -4.3972 -4.3965 -4.3883 -4.3881 -3.9725 -3.9720 -3.5597 -3.5594 -0.9574 -0.9567 -0.9455 -0.9455 -0.8606 -0.8596 -0.4809 -0.4809 -0.4755 -0.4753 0.1516 0.1518 5.3172 5.3173 6.1531 6.1532 6.1628 6.1629 8.1002 8.1003 9.1387 9.1394 k = 0.0000 0.0862-0.0000 ( 5377 PWs) bands (ev): -20.4162 -20.4162 -20.2387 -20.2387 -16.8739 -16.8739 -16.8377 -16.8377 -15.7523 -15.7523 -15.7523 -15.7523 -9.6436 -9.6435 -9.0442 -9.0441 -8.2101 -8.2099 -7.4448 -7.4407 -7.3833 -7.3830 -7.3583 -7.3543 -5.8420 -5.8417 -5.8300 -5.8293 -4.4068 -4.4060 -4.3936 -4.3933 -3.9667 -3.9661 -3.5616 -3.5612 -0.9627 -0.9620 -0.9473 -0.9473 -0.8489 -0.8479 -0.4829 -0.4829 -0.4750 -0.4747 0.1492 0.1495 5.3316 5.3317 6.1478 6.1479 6.1630 6.1631 8.1097 8.1098 9.0751 9.0757 k = 0.0000 0.1034-0.0000 ( 5367 PWs) bands (ev): -20.4148 -20.4148 -20.2402 -20.2402 -16.8736 -16.8736 -16.8380 -16.8380 -15.7523 -15.7523 -15.7522 -15.7522 -9.6400 -9.6398 -9.0509 -9.0507 -8.2068 -8.2064 -7.4599 -7.4559 -7.3826 -7.3822 -7.3549 -7.3509 -5.8330 -5.8327 -5.8162 -5.8154 -4.4182 -4.4172 -4.4000 -4.3996 -3.9598 -3.9592 -3.5638 -3.5634 -0.9680 -0.9673 -0.9494 -0.9494 -0.8361 -0.8350 -0.4855 -0.4855 -0.4741 -0.4738 0.1463 0.1466 5.3491 5.3492 6.1415 6.1416 6.1635 6.1635 8.1207 8.1208 9.0050 9.0056 k = 0.0000 0.1207-0.0000 ( 5363 PWs) bands (ev): -20.4131 -20.4131 -20.2419 -20.2419 -16.8732 -16.8732 -16.8383 -16.8383 -15.7523 -15.7523 -15.7522 -15.7522 -9.6357 -9.6355 -9.0587 -9.0585 -8.2028 -8.2024 -7.4763 -7.4724 -7.3817 -7.3813 -7.3520 -7.3481 -5.8225 -5.8221 -5.8003 -5.7994 -4.4311 -4.4299 -4.4074 -4.4070 -3.9521 -3.9515 -3.5665 -3.5660 -0.9731 -0.9724 -0.9518 -0.9518 -0.8223 -0.8211 -0.4885 -0.4884 -0.4729 -0.4725 0.1427 0.1430 5.3694 5.3695 6.1342 6.1343 6.1644 6.1644 8.1328 8.1329 8.9313 8.9318 k = 0.0000 0.1379-0.0000 ( 5365 PWs) bands (ev): -20.4111 -20.4111 -20.2439 -20.2439 -16.8727 -16.8727 -16.8386 -16.8386 -15.7523 -15.7523 -15.7522 -15.7522 -9.6307 -9.6305 -9.0676 -9.0674 -8.1982 -8.1977 -7.4937 -7.4900 -7.3807 -7.3802 -7.3496 -7.3459 -5.8106 -5.8102 -5.7826 -5.7815 -4.4453 -4.4440 -4.4159 -4.4155 -3.9437 -3.9430 -3.5696 -3.5691 -0.9779 -0.9772 -0.9546 -0.9544 -0.8077 -0.8065 -0.4919 -0.4918 -0.4712 -0.4707 0.1385 0.1389 5.3924 5.3925 6.1260 6.1261 6.1658 6.1659 8.1452 8.1454 8.8560 8.8564 k = 0.0000 0.1552-0.0000 ( 5363 PWs) bands (ev): -20.4090 -20.4089 -20.2462 -20.2462 -16.8722 -16.8722 -16.8390 -16.8390 -15.7523 -15.7523 -15.7521 -15.7521 -9.6251 -9.6249 -9.0775 -9.0772 -8.1929 -8.1924 -7.5122 -7.5086 -7.3796 -7.3791 -7.3476 -7.3440 -5.7974 -5.7968 -5.7633 -5.7621 -4.4606 -4.4592 -4.4254 -4.4250 -3.9347 -3.9340 -3.5731 -3.5725 -0.9825 -0.9819 -0.9575 -0.9574 -0.7925 -0.7913 -0.4956 -0.4956 -0.4689 -0.4684 0.1336 0.1340 5.4178 5.4180 6.1170 6.1171 6.1680 6.1681 8.1570 8.1572 8.7812 8.7816 k = 0.0000 0.1724-0.0000 ( 5353 PWs) bands (ev): -20.4065 -20.4065 -20.2486 -20.2486 -16.8717 -16.8717 -16.8395 -16.8395 -15.7522 -15.7522 -15.7521 -15.7521 -9.6188 -9.6186 -9.0883 -9.0880 -8.1869 -8.1864 -7.5316 -7.5281 -7.3784 -7.3778 -7.3461 -7.3426 -5.7828 -5.7823 -5.7426 -5.7412 -4.4769 -4.4755 -4.4359 -4.4354 -3.9252 -3.9245 -3.5770 -3.5764 -0.9869 -0.9862 -0.9607 -0.9606 -0.7769 -0.7756 -0.4997 -0.4997 -0.4658 -0.4653 0.1280 0.1284 5.4456 5.4458 6.1074 6.1075 6.1713 6.1714 8.1662 8.1664 8.7094 8.7097 k = 0.0000 0.1897-0.0000 ( 5343 PWs) bands (ev): -20.4039 -20.4039 -20.2514 -20.2514 -16.8711 -16.8711 -16.8400 -16.8400 -15.7522 -15.7522 -15.7521 -15.7521 -9.6119 -9.6116 -9.1001 -9.0998 -8.1803 -8.1797 -7.5518 -7.5485 -7.3771 -7.3765 -7.3448 -7.3414 -5.7671 -5.7665 -5.7207 -5.7192 -4.4940 -4.4925 -4.4473 -4.4468 -3.9153 -3.9147 -3.5813 -3.5806 -0.9909 -0.9903 -0.9642 -0.9640 -0.7611 -0.7598 -0.5041 -0.5040 -0.4619 -0.4614 0.1216 0.1220 5.4752 5.4754 6.0971 6.0972 6.1759 6.1760 8.1699 8.1701 8.6437 8.6440 k = 0.0000 0.2069-0.0000 ( 5351 PWs) bands (ev): -20.4010 -20.4010 -20.2543 -20.2543 -16.8704 -16.8704 -16.8405 -16.8405 -15.7522 -15.7522 -15.7520 -15.7520 -9.6043 -9.6041 -9.1127 -9.1124 -8.1730 -8.1724 -7.5728 -7.5695 -7.3758 -7.3751 -7.3439 -7.3406 -5.7504 -5.7497 -5.6980 -5.6964 -4.5117 -4.5101 -4.4596 -4.4590 -3.9051 -3.9045 -3.5860 -3.5853 -0.9948 -0.9942 -0.9677 -0.9675 -0.7453 -0.7440 -0.5088 -0.5087 -0.4569 -0.4564 0.1143 0.1148 5.5065 5.5067 6.0863 6.0865 6.1822 6.1823 8.1638 8.1640 8.5890 8.5892 k = 0.0000 0.2241-0.0000 ( 5345 PWs) bands (ev): -20.3979 -20.3979 -20.2575 -20.2575 -16.8697 -16.8697 -16.8411 -16.8411 -15.7521 -15.7521 -15.7520 -15.7520 -9.5962 -9.5959 -9.1261 -9.1257 -8.1650 -8.1643 -7.5943 -7.5911 -7.3744 -7.3736 -7.3431 -7.3400 -5.7326 -5.7319 -5.6747 -5.6729 -4.5298 -4.5282 -4.4726 -4.4720 -3.8947 -3.8941 -3.5911 -3.5904 -0.9984 -0.9978 -0.9714 -0.9712 -0.7298 -0.7285 -0.5137 -0.5136 -0.4506 -0.4501 0.1062 0.1068 5.5389 5.5391 6.0751 6.0753 6.1906 6.1907 8.1427 8.1429 8.5504 8.5506 k = 0.0000 0.2414-0.0000 ( 5347 PWs) bands (ev): -20.3946 -20.3946 -20.2609 -20.2608 -16.8690 -16.8690 -16.8417 -16.8417 -15.7521 -15.7521 -15.7520 -15.7520 -9.5873 -9.5870 -9.1401 -9.1398 -8.1563 -8.1556 -7.6162 -7.6132 -7.3730 -7.3721 -7.3426 -7.3396 -5.7140 -5.7132 -5.6510 -5.6491 -4.5481 -4.5465 -4.4864 -4.4858 -3.8840 -3.8835 -3.5967 -3.5959 -1.0018 -1.0012 -0.9752 -0.9750 -0.7148 -0.7135 -0.5187 -0.5187 -0.4429 -0.4424 0.0971 0.0978 5.5719 5.5722 6.0636 6.0638 6.2015 6.2016 8.1036 8.1037 8.5313 8.5314 k = 0.0000 0.2586-0.0000 ( 5365 PWs) bands (ev): -20.3911 -20.3911 -20.2644 -20.2644 -16.8682 -16.8682 -16.8423 -16.8423 -15.7521 -15.7521 -15.7519 -15.7519 -9.5779 -9.5776 -9.1549 -9.1545 -8.1470 -8.1462 -7.6386 -7.6357 -7.3715 -7.3706 -7.3423 -7.3395 -5.6947 -5.6938 -5.6272 -5.6252 -4.5665 -4.5648 -4.5009 -4.5002 -3.8732 -3.8727 -3.6026 -3.6018 -1.0049 -1.0043 -0.9791 -0.9788 -0.7005 -0.6992 -0.5240 -0.5239 -0.4334 -0.4330 0.0872 0.0878 5.6051 5.6054 6.0519 6.0521 6.2156 6.2157 8.0479 8.0480 8.5301 8.5301 k = 0.0000 0.2759-0.0000 ( 5375 PWs) bands (ev): -20.3875 -20.3874 -20.2682 -20.2682 -16.8674 -16.8673 -16.8430 -16.8430 -15.7521 -15.7520 -15.7519 -15.7519 -9.5679 -9.5675 -9.1701 -9.1697 -8.1369 -8.1360 -7.6612 -7.6584 -7.3700 -7.3691 -7.3422 -7.3394 -5.6748 -5.6739 -5.6037 -5.6016 -4.5847 -4.5830 -4.5159 -4.5153 -3.8623 -3.8619 -3.6089 -3.6081 -1.0078 -1.0072 -0.9829 -0.9826 -0.6872 -0.6860 -0.5293 -0.5292 -0.4222 -0.4218 0.0762 0.0769 5.6378 5.6381 6.0400 6.0402 6.2334 6.2335 7.9801 7.9801 8.5426 8.5426 k = 0.0000 0.2931-0.0000 ( 5371 PWs) bands (ev): -20.3836 -20.3836 -20.2721 -20.2721 -16.8665 -16.8665 -16.8438 -16.8438 -15.7520 -15.7520 -15.7519 -15.7519 -9.5572 -9.5568 -9.1859 -9.1855 -8.1261 -8.1252 -7.6839 -7.6813 -7.3684 -7.3675 -7.3422 -7.3396 -5.6545 -5.6535 -5.5806 -5.5784 -4.6025 -4.6008 -4.5313 -4.5308 -3.8512 -3.8509 -3.6156 -3.6147 -1.0104 -1.0098 -0.9867 -0.9864 -0.6750 -0.6739 -0.5347 -0.5346 -0.4090 -0.4087 0.0643 0.0650 5.6694 5.6697 6.0281 6.0283 6.2554 6.2555 7.9043 7.9044 8.5645 8.5646 k = 0.0000 0.3103-0.0000 ( 5375 PWs) bands (ev): -20.3796 -20.3796 -20.2762 -20.2762 -16.8656 -16.8656 -16.8445 -16.8445 -15.7520 -15.7520 -15.7518 -15.7518 -9.5460 -9.5456 -9.2021 -9.2016 -8.1146 -8.1136 -7.7067 -7.7042 -7.3669 -7.3658 -7.3424 -7.3398 -5.6340 -5.6329 -5.5584 -5.5561 -4.6197 -4.6180 -4.5472 -4.5466 -3.8402 -3.8399 -3.6226 -3.6218 -1.0127 -1.0122 -0.9905 -0.9902 -0.6641 -0.6630 -0.5402 -0.5401 -0.3939 -0.3937 0.0513 0.0520 5.6994 5.6997 6.0161 6.0163 6.2822 6.2823 7.8237 7.8238 8.5928 8.5929 k = 0.0000 0.3276-0.0000 ( 5387 PWs) bands (ev): -20.3754 -20.3754 -20.2805 -20.2804 -16.8647 -16.8647 -16.8453 -16.8453 -15.7520 -15.7519 -15.7518 -15.7518 -9.5342 -9.5338 -9.2186 -9.2182 -8.1023 -8.1014 -7.7296 -7.7271 -7.3653 -7.3642 -7.3427 -7.3402 -5.6133 -5.6122 -5.5373 -5.5350 -4.6360 -4.6344 -4.5632 -4.5627 -3.8291 -3.8289 -3.6301 -3.6292 -1.0148 -1.0143 -0.9942 -0.9938 -0.6543 -0.6533 -0.5456 -0.5456 -0.3770 -0.3769 0.0372 0.0380 5.7272 5.7276 6.0042 6.0044 6.3143 6.3144 7.7402 7.7403 8.6256 8.6257 k = 0.0000 0.3448-0.0000 ( 5387 PWs) bands (ev): -20.3711 -20.3711 -20.2848 -20.2848 -16.8637 -16.8637 -16.8462 -16.8462 -15.7519 -15.7519 -15.7518 -15.7518 -9.5218 -9.5214 -9.2355 -9.2350 -8.0894 -8.0884 -7.7523 -7.7500 -7.3638 -7.3626 -7.3431 -7.3407 -5.5928 -5.5916 -5.5177 -5.5153 -4.6512 -4.6496 -4.5794 -4.5789 -3.8179 -3.8178 -3.6378 -3.6370 -1.0167 -1.0161 -0.9977 -0.9973 -0.6457 -0.6448 -0.5511 -0.5510 -0.3584 -0.3584 0.0222 0.0229 5.7526 5.7530 5.9924 5.9927 6.3518 6.3519 7.6551 7.6551 8.6616 8.6617 k = 0.0000 0.3621-0.0000 ( 5379 PWs) bands (ev): -20.3667 -20.3667 -20.2893 -20.2893 -16.8628 -16.8628 -16.8470 -16.8470 -15.7519 -15.7519 -15.7518 -15.7517 -9.5089 -9.5085 -9.2525 -9.2520 -8.0758 -8.0747 -7.7749 -7.7726 -7.3622 -7.3610 -7.3437 -7.3414 -5.5726 -5.5713 -5.4999 -5.4974 -4.6649 -4.6634 -4.5954 -4.5951 -3.8068 -3.8068 -3.6459 -3.6451 -1.0182 -1.0177 -1.0011 -1.0007 -0.6380 -0.6373 -0.5565 -0.5564 -0.3385 -0.3384 0.0061 0.0069 5.7755 5.7758 5.9808 5.9810 6.3949 6.3950 7.5691 7.5691 8.7000 8.7001 k = 0.0000 0.3793-0.0000 ( 5375 PWs) bands (ev): -20.3621 -20.3621 -20.2939 -20.2939 -16.8618 -16.8618 -16.8479 -16.8479 -15.7519 -15.7519 -15.7517 -15.7517 -9.4955 -9.4950 -9.2697 -9.2692 -8.0615 -8.0603 -7.7972 -7.7951 -7.3607 -7.3594 -7.3443 -7.3421 -5.5529 -5.5515 -5.4842 -5.4817 -4.6770 -4.6754 -4.6113 -4.6110 -3.7958 -3.7957 -3.6544 -3.6535 -1.0194 -1.0189 -1.0042 -1.0039 -0.6313 -0.6306 -0.5618 -0.5617 -0.3173 -0.3171 -0.0110 -0.0102 5.7959 5.7962 5.9693 5.9696 6.4434 6.4435 7.4828 7.4829 8.7402 8.7403 k = 0.0000 0.3966-0.0000 ( 5363 PWs) bands (ev): -20.3575 -20.3574 -20.2986 -20.2986 -16.8608 -16.8608 -16.8488 -16.8488 -15.7518 -15.7518 -15.7517 -15.7517 -9.4815 -9.4811 -9.2869 -9.2864 -8.0465 -8.0453 -7.8192 -7.8172 -7.3592 -7.3579 -7.3450 -7.3429 -5.5340 -5.5325 -5.4709 -5.4684 -4.6870 -4.6855 -4.6266 -4.6264 -3.7848 -3.7847 -3.6631 -3.6623 -1.0204 -1.0199 -1.0072 -1.0068 -0.6252 -0.6246 -0.5670 -0.5669 -0.2952 -0.2949 -0.0291 -0.0283 5.8140 5.8144 5.9581 5.9583 6.4970 6.4971 7.3968 7.3969 8.7816 8.7818 k = 0.0000 0.4138-0.0000 ( 5355 PWs) bands (ev): -20.3527 -20.3527 -20.3034 -20.3034 -16.8598 -16.8598 -16.8497 -16.8497 -15.7518 -15.7518 -15.7517 -15.7517 -9.4671 -9.4667 -9.3042 -9.3037 -8.0308 -8.0295 -7.8409 -7.8390 -7.3577 -7.3563 -7.3458 -7.3437 -5.5162 -5.5146 -5.4604 -5.4579 -4.6948 -4.6934 -4.6413 -4.6412 -3.7739 -3.7737 -3.6721 -3.6713 -1.0210 -1.0205 -1.0099 -1.0095 -0.6197 -0.6192 -0.5721 -0.5720 -0.2724 -0.2720 -0.0482 -0.0474 5.8302 5.8305 5.9470 5.9473 6.5554 6.5555 7.3114 7.3115 8.8240 8.8241 k = 0.0000 0.4310-0.0000 ( 5351 PWs) bands (ev): -20.3479 -20.3479 -20.3083 -20.3083 -16.8588 -16.8588 -16.8507 -16.8507 -15.7518 -15.7518 -15.7517 -15.7517 -9.4523 -9.4518 -9.3214 -9.3209 -8.0145 -8.0132 -7.8623 -7.8604 -7.3563 -7.3548 -7.3467 -7.3447 -5.4998 -5.4981 -5.4529 -5.4504 -4.7002 -4.6989 -4.6551 -4.6550 -3.7630 -3.7628 -3.6814 -3.6806 -1.0213 -1.0208 -1.0124 -1.0120 -0.6146 -0.6142 -0.5771 -0.5769 -0.2491 -0.2487 -0.0681 -0.0673 5.8447 5.8451 5.9361 5.9364 6.6181 6.6182 7.2269 7.2269 8.8669 8.8670 k = 0.0000 0.4483-0.0000 ( 5349 PWs) bands (ev): -20.3430 -20.3430 -20.3132 -20.3132 -16.8577 -16.8577 -16.8517 -16.8517 -15.7517 -15.7517 -15.7517 -15.7517 -9.4370 -9.4365 -9.3386 -9.3381 -7.9975 -7.9961 -7.8831 -7.8813 -7.3549 -7.3534 -7.3477 -7.3458 -5.4851 -5.4833 -5.4484 -5.4460 -4.7029 -4.7018 -4.6677 -4.6675 -3.7523 -3.7519 -3.6909 -3.6902 -1.0213 -1.0209 -1.0146 -1.0142 -0.6097 -0.6094 -0.5819 -0.5818 -0.2256 -0.2251 -0.0889 -0.0881 5.8580 5.8583 5.9253 5.9256 6.6846 6.6847 7.1435 7.1436 8.9100 8.9101 k = 0.0000 0.4655-0.0000 ( 5343 PWs) bands (ev): -20.3381 -20.3380 -20.3182 -20.3181 -16.8567 -16.8567 -16.8527 -16.8526 -15.7517 -15.7517 -15.7517 -15.7517 -9.4214 -9.4209 -9.3556 -9.3551 -7.9799 -7.9784 -7.9036 -7.9018 -7.3535 -7.3520 -7.3487 -7.3469 -5.4723 -5.4704 -5.4472 -5.4448 -4.7030 -4.7021 -4.6789 -4.6785 -3.7417 -3.7412 -3.7007 -3.7000 -1.0210 -1.0205 -1.0165 -1.0161 -0.6051 -0.6048 -0.5867 -0.5865 -0.2020 -0.2014 -0.1104 -0.1097 5.8703 5.8706 5.9146 5.9149 6.7546 6.7547 7.0616 7.0617 8.9530 8.9531 k = 0.0000 0.4828-0.0000 ( 5347 PWs) bands (ev): -20.3331 -20.3331 -20.3231 -20.3231 -16.8557 -16.8557 -16.8537 -16.8536 -15.7517 -15.7517 -15.7517 -15.7517 -9.4054 -9.4049 -9.3725 -9.3719 -7.9617 -7.9602 -7.9235 -7.9218 -7.3522 -7.3506 -7.3498 -7.3481 -5.4619 -5.4599 -5.4491 -5.4469 -4.7005 -4.6997 -4.6882 -4.6877 -3.7312 -3.7307 -3.7107 -3.7101 -1.0204 -1.0199 -1.0181 -1.0177 -0.6005 -0.6002 -0.5913 -0.5911 -0.1785 -0.1779 -0.1326 -0.1319 5.8819 5.8822 5.9039 5.9042 6.8277 6.8278 6.9815 6.9816 8.9956 8.9958 k = 0.0000 0.5000-0.0000 ( 5356 PWs) bands (ev): -20.3281 -20.3281 -20.3281 -20.3281 -16.8547 -16.8547 -16.8547 -16.8547 -15.7517 -15.7517 -15.7517 -15.7517 -9.3891 -9.3891 -9.3885 -9.3885 -7.9429 -7.9429 -7.9413 -7.9413 -7.3510 -7.3510 -7.3493 -7.3493 -5.4541 -5.4541 -5.4519 -5.4519 -4.6956 -4.6956 -4.6949 -4.6949 -3.7208 -3.7208 -3.7203 -3.7203 -1.0194 -1.0194 -1.0189 -1.0189 -0.5959 -0.5959 -0.5957 -0.5957 -0.1554 -0.1554 -0.1547 -0.1547 5.8930 5.8930 5.8933 5.8933 6.9034 6.9034 6.9035 6.9035 9.0376 9.0377 k = 0.0000 0.5000-0.0000 ( 5356 PWs) bands (ev): -20.3281 -20.3281 -20.3281 -20.3281 -16.8547 -16.8547 -16.8547 -16.8547 -15.7517 -15.7517 -15.7517 -15.7517 -9.3891 -9.3891 -9.3885 -9.3885 -7.9429 -7.9429 -7.9413 -7.9413 -7.3510 -7.3510 -7.3493 -7.3493 -5.4541 -5.4541 -5.4519 -5.4519 -4.6956 -4.6956 -4.6949 -4.6949 -3.7208 -3.7208 -3.7203 -3.7203 -1.0194 -1.0194 -1.0189 -1.0189 -0.5959 -0.5959 -0.5957 -0.5957 -0.1554 -0.1554 -0.1547 -0.1547 5.8930 5.8930 5.8933 5.8933 6.9034 6.9034 6.9035 6.9035 9.0376 9.0377 k = 0.0172 0.5000-0.0000 ( 5352 PWs) bands (ev): -20.3281 -20.3281 -20.3281 -20.3281 -16.8546 -16.8546 -16.8546 -16.8546 -15.7518 -15.7518 -15.7517 -15.7517 -9.3892 -9.3892 -9.3887 -9.3887 -7.9422 -7.9422 -7.9406 -7.9406 -7.3511 -7.3511 -7.3494 -7.3494 -5.4555 -5.4555 -5.4534 -5.4534 -4.6947 -4.6947 -4.6940 -4.6940 -3.7209 -3.7209 -3.7204 -3.7204 -1.0192 -1.0192 -1.0187 -1.0187 -0.5957 -0.5957 -0.5955 -0.5955 -0.1552 -0.1552 -0.1545 -0.1545 5.8926 5.8926 5.8929 5.8929 6.9043 6.9043 6.9044 6.9044 9.0353 9.0355 k = 0.0345 0.5000-0.0000 ( 5356 PWs) bands (ev): -20.3281 -20.3281 -20.3281 -20.3281 -16.8546 -16.8546 -16.8546 -16.8546 -15.7519 -15.7519 -15.7519 -15.7519 -9.3895 -9.3895 -9.3890 -9.3890 -7.9404 -7.9404 -7.9388 -7.9388 -7.3514 -7.3514 -7.3497 -7.3497 -5.4598 -5.4598 -5.4577 -5.4577 -4.6920 -4.6920 -4.6913 -4.6913 -3.7213 -3.7213 -3.7208 -3.7208 -1.0186 -1.0186 -1.0181 -1.0181 -0.5950 -0.5950 -0.5947 -0.5947 -0.1546 -0.1546 -0.1539 -0.1539 5.8913 5.8913 5.8916 5.8916 6.9070 6.9070 6.9071 6.9071 9.0286 9.0288 k = 0.0517 0.5000-0.0000 ( 5358 PWs) bands (ev): -20.3281 -20.3281 -20.3281 -20.3281 -16.8545 -16.8545 -16.8545 -16.8545 -15.7522 -15.7522 -15.7521 -15.7521 -9.3901 -9.3901 -9.3896 -9.3896 -7.9372 -7.9372 -7.9356 -7.9356 -7.3519 -7.3519 -7.3502 -7.3502 -5.4668 -5.4668 -5.4647 -5.4647 -4.6877 -4.6877 -4.6868 -4.6868 -3.7219 -3.7219 -3.7214 -3.7214 -1.0176 -1.0176 -1.0171 -1.0171 -0.5939 -0.5939 -0.5935 -0.5935 -0.1536 -0.1536 -0.1529 -0.1529 5.8891 5.8891 5.8894 5.8894 6.9115 6.9115 6.9116 6.9116 9.0175 9.0177 k = 0.0690 0.5000-0.0000 ( 5354 PWs) bands (ev): -20.3280 -20.3280 -20.3280 -20.3280 -16.8543 -16.8543 -16.8543 -16.8543 -15.7525 -15.7525 -15.7525 -15.7525 -9.3909 -9.3909 -9.3904 -9.3904 -7.9329 -7.9329 -7.9313 -7.9313 -7.3527 -7.3527 -7.3509 -7.3509 -5.4764 -5.4764 -5.4743 -5.4743 -4.6819 -4.6819 -4.6809 -4.6809 -3.7228 -3.7228 -3.7222 -3.7222 -1.0162 -1.0162 -1.0157 -1.0157 -0.5923 -0.5923 -0.5919 -0.5919 -0.1522 -0.1522 -0.1515 -0.1515 5.8862 5.8862 5.8865 5.8865 6.9177 6.9177 6.9179 6.9179 9.0022 9.0024 k = 0.0862 0.5000-0.0000 ( 5362 PWs) bands (ev): -20.3280 -20.3280 -20.3280 -20.3280 -16.8541 -16.8541 -16.8541 -16.8541 -15.7530 -15.7530 -15.7529 -15.7529 -9.3919 -9.3919 -9.3914 -9.3914 -7.9274 -7.9274 -7.9258 -7.9258 -7.3536 -7.3536 -7.3519 -7.3519 -5.4885 -5.4885 -5.4864 -5.4864 -4.6746 -4.6746 -4.6735 -4.6735 -3.7239 -3.7239 -3.7233 -3.7233 -1.0145 -1.0145 -1.0140 -1.0140 -0.5902 -0.5902 -0.5898 -0.5898 -0.1505 -0.1505 -0.1498 -0.1498 5.8825 5.8825 5.8828 5.8828 6.9256 6.9256 6.9258 6.9258 8.9829 8.9831 k = 0.1034 0.5000-0.0000 ( 5368 PWs) bands (ev): -20.3279 -20.3279 -20.3279 -20.3279 -16.8539 -16.8539 -16.8539 -16.8539 -15.7535 -15.7535 -15.7535 -15.7535 -9.3931 -9.3931 -9.3926 -9.3926 -7.9207 -7.9207 -7.9191 -7.9191 -7.3547 -7.3547 -7.3530 -7.3530 -5.5026 -5.5026 -5.5005 -5.5005 -4.6662 -4.6662 -4.6650 -4.6650 -3.7251 -3.7251 -3.7245 -3.7245 -1.0124 -1.0124 -1.0119 -1.0119 -0.5878 -0.5878 -0.5874 -0.5874 -0.1484 -0.1484 -0.1477 -0.1477 5.8781 5.8781 5.8784 5.8784 6.9350 6.9350 6.9352 6.9352 8.9598 8.9600 k = 0.1207 0.5000-0.0000 ( 5372 PWs) bands (ev): -20.3279 -20.3279 -20.3279 -20.3279 -16.8536 -16.8536 -16.8536 -16.8536 -15.7541 -15.7541 -15.7541 -15.7541 -9.3944 -9.3944 -9.3939 -9.3939 -7.9130 -7.9130 -7.9114 -7.9114 -7.3560 -7.3560 -7.3543 -7.3543 -5.5186 -5.5186 -5.5166 -5.5166 -4.6568 -4.6568 -4.6555 -4.6555 -3.7266 -3.7266 -3.7260 -3.7260 -1.0100 -1.0100 -1.0095 -1.0095 -0.5851 -0.5851 -0.5845 -0.5845 -0.1460 -0.1460 -0.1453 -0.1453 5.8732 5.8732 5.8734 5.8734 6.9459 6.9459 6.9462 6.9462 8.9334 8.9337 k = 0.1379 0.5000-0.0000 ( 5372 PWs) bands (ev): -20.3278 -20.3278 -20.3278 -20.3278 -16.8533 -16.8533 -16.8533 -16.8533 -15.7548 -15.7548 -15.7548 -15.7548 -9.3959 -9.3959 -9.3955 -9.3955 -7.9043 -7.9043 -7.9027 -7.9027 -7.3575 -7.3575 -7.3558 -7.3558 -5.5363 -5.5363 -5.5343 -5.5343 -4.6466 -4.6466 -4.6452 -4.6452 -3.7283 -3.7283 -3.7277 -3.7277 -1.0073 -1.0073 -1.0067 -1.0067 -0.5819 -0.5819 -0.5814 -0.5814 -0.1433 -0.1433 -0.1426 -0.1426 5.8677 5.8677 5.8680 5.8680 6.9583 6.9583 6.9586 6.9586 8.9039 8.9042 k = 0.1552 0.5000-0.0000 ( 5368 PWs) bands (ev): -20.3277 -20.3277 -20.3277 -20.3277 -16.8529 -16.8529 -16.8529 -16.8529 -15.7555 -15.7555 -15.7555 -15.7555 -9.3976 -9.3976 -9.3971 -9.3971 -7.8947 -7.8947 -7.8930 -7.8930 -7.3592 -7.3592 -7.3575 -7.3575 -5.5552 -5.5552 -5.5533 -5.5533 -4.6358 -4.6358 -4.6343 -4.6343 -3.7302 -3.7302 -3.7295 -3.7295 -1.0043 -1.0043 -1.0037 -1.0037 -0.5785 -0.5785 -0.5779 -0.5779 -0.1403 -0.1403 -0.1396 -0.1396 5.8618 5.8618 5.8621 5.8621 6.9719 6.9719 6.9722 6.9722 8.8717 8.8719 k = 0.1724 0.5000-0.0000 ( 5358 PWs) bands (ev): -20.3276 -20.3276 -20.3276 -20.3276 -16.8526 -16.8526 -16.8526 -16.8526 -15.7564 -15.7564 -15.7563 -15.7563 -9.3993 -9.3993 -9.3989 -9.3989 -7.8842 -7.8842 -7.8825 -7.8825 -7.3611 -7.3611 -7.3593 -7.3593 -5.5752 -5.5752 -5.5734 -5.5734 -4.6246 -4.6246 -4.6231 -4.6231 -3.7322 -3.7322 -3.7315 -3.7315 -1.0011 -1.0011 -1.0005 -1.0005 -0.5749 -0.5749 -0.5742 -0.5742 -0.1370 -0.1370 -0.1363 -0.1363 5.8557 5.8557 5.8559 5.8559 6.9867 6.9867 6.9870 6.9870 8.8374 8.8377 k = 0.1897 0.5000-0.0000 ( 5362 PWs) bands (ev): -20.3275 -20.3275 -20.3275 -20.3275 -16.8522 -16.8522 -16.8522 -16.8522 -15.7572 -15.7572 -15.7572 -15.7572 -9.4011 -9.4011 -9.4007 -9.4007 -7.8729 -7.8729 -7.8713 -7.8713 -7.3631 -7.3631 -7.3614 -7.3614 -5.5961 -5.5961 -5.5942 -5.5942 -4.6132 -4.6132 -4.6116 -4.6116 -3.7343 -3.7343 -3.7337 -3.7337 -0.9977 -0.9977 -0.9971 -0.9971 -0.5710 -0.5710 -0.5704 -0.5704 -0.1335 -0.1335 -0.1329 -0.1329 5.8492 5.8492 5.8495 5.8495 7.0025 7.0025 7.0028 7.0028 8.8012 8.8014 k = 0.2069 0.5000-0.0000 ( 5362 PWs) bands (ev): -20.3274 -20.3274 -20.3274 -20.3274 -16.8518 -16.8518 -16.8518 -16.8518 -15.7581 -15.7581 -15.7581 -15.7581 -9.4030 -9.4030 -9.4026 -9.4026 -7.8610 -7.8610 -7.8594 -7.8594 -7.3653 -7.3653 -7.3636 -7.3636 -5.6175 -5.6175 -5.6157 -5.6157 -4.6017 -4.6017 -4.6001 -4.6001 -3.7366 -3.7366 -3.7359 -3.7359 -0.9942 -0.9942 -0.9936 -0.9936 -0.5670 -0.5670 -0.5663 -0.5663 -0.1299 -0.1299 -0.1292 -0.1292 5.8427 5.8427 5.8429 5.8429 7.0192 7.0192 7.0195 7.0195 8.7637 8.7642 k = 0.2241 0.5000-0.0000 ( 5358 PWs) bands (ev): -20.3273 -20.3273 -20.3273 -20.3273 -16.8514 -16.8514 -16.8513 -16.8513 -15.7590 -15.7590 -15.7590 -15.7590 -9.4049 -9.4049 -9.4046 -9.4046 -7.8486 -7.8486 -7.8470 -7.8470 -7.3677 -7.3677 -7.3659 -7.3659 -5.6391 -5.6391 -5.6374 -5.6374 -4.5903 -4.5903 -4.5887 -4.5887 -3.7389 -3.7389 -3.7382 -3.7382 -0.9905 -0.9905 -0.9899 -0.9899 -0.5629 -0.5629 -0.5622 -0.5622 -0.1261 -0.1261 -0.1254 -0.1254 5.8361 5.8361 5.8363 5.8363 7.0366 7.0366 7.0370 7.0370 8.7252 8.7252 k = 0.2414 0.5000-0.0000 ( 5360 PWs) bands (ev): -20.3272 -20.3272 -20.3272 -20.3272 -16.8509 -16.8509 -16.8509 -16.8509 -15.7600 -15.7600 -15.7600 -15.7600 -9.4069 -9.4069 -9.4065 -9.4065 -7.8358 -7.8358 -7.8341 -7.8341 -7.3702 -7.3702 -7.3685 -7.3685 -5.6609 -5.6609 -5.6593 -5.6593 -4.5791 -4.5791 -4.5775 -4.5775 -3.7413 -3.7413 -3.7406 -3.7406 -0.9868 -0.9868 -0.9862 -0.9862 -0.5587 -0.5587 -0.5580 -0.5580 -0.1222 -0.1222 -0.1216 -0.1216 5.8296 5.8296 5.8298 5.8298 7.0547 7.0547 7.0551 7.0551 8.6863 8.6863 k = 0.2586 0.5000-0.0000 ( 5358 PWs) bands (ev): -20.3271 -20.3271 -20.3271 -20.3271 -16.8505 -16.8505 -16.8505 -16.8505 -15.7609 -15.7609 -15.7609 -15.7609 -9.4088 -9.4088 -9.4085 -9.4085 -7.8226 -7.8226 -7.8210 -7.8210 -7.3728 -7.3728 -7.3711 -7.3711 -5.6825 -5.6825 -5.6809 -5.6809 -4.5682 -4.5682 -4.5666 -4.5666 -3.7438 -3.7438 -3.7431 -3.7431 -0.9830 -0.9830 -0.9824 -0.9824 -0.5545 -0.5545 -0.5538 -0.5538 -0.1183 -0.1183 -0.1177 -0.1177 5.8231 5.8231 5.8233 5.8233 7.0732 7.0732 7.0736 7.0736 8.6471 8.6471 k = 0.2759 0.5000-0.0000 ( 5362 PWs) bands (ev): -20.3270 -20.3270 -20.3270 -20.3270 -16.8501 -16.8501 -16.8501 -16.8501 -15.7619 -15.7619 -15.7619 -15.7619 -9.4107 -9.4107 -9.4104 -9.4104 -7.8093 -7.8093 -7.8077 -7.8077 -7.3756 -7.3756 -7.3739 -7.3739 -5.7037 -5.7037 -5.7022 -5.7022 -4.5576 -4.5576 -4.5561 -4.5561 -3.7462 -3.7462 -3.7455 -3.7455 -0.9793 -0.9793 -0.9787 -0.9787 -0.5504 -0.5504 -0.5497 -0.5497 -0.1143 -0.1143 -0.1138 -0.1138 5.8169 5.8169 5.8170 5.8170 7.0920 7.0920 7.0924 7.0924 8.6083 8.6083 k = 0.2931 0.5000-0.0000 ( 5364 PWs) bands (ev): -20.3269 -20.3269 -20.3269 -20.3269 -16.8496 -16.8496 -16.8496 -16.8496 -15.7628 -15.7628 -15.7628 -15.7628 -9.4126 -9.4126 -9.4123 -9.4123 -7.7960 -7.7960 -7.7944 -7.7944 -7.3785 -7.3785 -7.3768 -7.3768 -5.7243 -5.7243 -5.7230 -5.7230 -4.5476 -4.5476 -4.5462 -4.5462 -3.7486 -3.7486 -3.7480 -3.7480 -0.9756 -0.9756 -0.9751 -0.9751 -0.5463 -0.5463 -0.5457 -0.5457 -0.1105 -0.1105 -0.1099 -0.1099 5.8108 5.8108 5.8110 5.8110 7.1109 7.1109 7.1113 7.1113 8.5701 8.5701 k = 0.3103 0.5000-0.0000 ( 5366 PWs) bands (ev): -20.3269 -20.3269 -20.3268 -20.3268 -16.8492 -16.8492 -16.8492 -16.8492 -15.7637 -15.7637 -15.7637 -15.7637 -9.4144 -9.4144 -9.4141 -9.4141 -7.7828 -7.7828 -7.7813 -7.7813 -7.3814 -7.3814 -7.3798 -7.3798 -5.7442 -5.7442 -5.7429 -5.7429 -4.5381 -4.5381 -4.5368 -4.5368 -3.7510 -3.7510 -3.7504 -3.7504 -0.9721 -0.9721 -0.9716 -0.9716 -0.5424 -0.5424 -0.5418 -0.5418 -0.1066 -0.1066 -0.1061 -0.1061 5.8051 5.8051 5.8053 5.8053 7.1297 7.1297 7.1302 7.1302 8.5329 8.5329 k = 0.3276 0.5000-0.0000 ( 5358 PWs) bands (ev): -20.3268 -20.3268 -20.3267 -20.3267 -16.8488 -16.8488 -16.8488 -16.8488 -15.7646 -15.7646 -15.7646 -15.7646 -9.4160 -9.4160 -9.4158 -9.4158 -7.7699 -7.7699 -7.7684 -7.7684 -7.3844 -7.3844 -7.3828 -7.3828 -5.7630 -5.7630 -5.7619 -5.7619 -4.5293 -4.5293 -4.5280 -4.5280 -3.7533 -3.7533 -3.7527 -3.7527 -0.9687 -0.9687 -0.9682 -0.9682 -0.5386 -0.5386 -0.5380 -0.5380 -0.1030 -0.1030 -0.1025 -0.1025 5.7998 5.7998 5.7999 5.7999 7.1483 7.1483 7.1487 7.1487 8.4972 8.4972 k = 0.3448 0.5000-0.0000 ( 5362 PWs) bands (ev): -20.3267 -20.3267 -20.3267 -20.3267 -16.8485 -16.8485 -16.8484 -16.8484 -15.7654 -15.7654 -15.7654 -15.7654 -9.4176 -9.4176 -9.4174 -9.4174 -7.7574 -7.7574 -7.7560 -7.7560 -7.3873 -7.3873 -7.3858 -7.3858 -5.7807 -5.7807 -5.7797 -5.7797 -4.5211 -4.5211 -4.5199 -4.5199 -3.7554 -3.7554 -3.7549 -3.7549 -0.9654 -0.9654 -0.9650 -0.9650 -0.5351 -0.5351 -0.5346 -0.5346 -0.0995 -0.0995 -0.0990 -0.0990 5.7948 5.7948 5.7949 5.7949 7.1663 7.1663 7.1667 7.1667 8.4631 8.4632 k = 0.3621 0.5000-0.0000 ( 5366 PWs) bands (ev): -20.3266 -20.3266 -20.3266 -20.3266 -16.8481 -16.8481 -16.8481 -16.8481 -15.7662 -15.7662 -15.7662 -15.7662 -9.4191 -9.4191 -9.4188 -9.4188 -7.7456 -7.7456 -7.7443 -7.7443 -7.3902 -7.3902 -7.3888 -7.3888 -5.7971 -5.7971 -5.7961 -5.7961 -4.5137 -4.5137 -4.5126 -4.5126 -3.7574 -3.7574 -3.7569 -3.7569 -0.9624 -0.9624 -0.9620 -0.9620 -0.5318 -0.5318 -0.5313 -0.5313 -0.0962 -0.0962 -0.0958 -0.0958 5.7903 5.7903 5.7904 5.7904 7.1835 7.1835 7.1839 7.1839 8.4313 8.4313 k = 0.3793 0.5000-0.0000 ( 5354 PWs) bands (ev): -20.3265 -20.3265 -20.3265 -20.3265 -16.8478 -16.8478 -16.8478 -16.8478 -15.7669 -15.7669 -15.7669 -15.7669 -9.4204 -9.4204 -9.4202 -9.4202 -7.7345 -7.7345 -7.7333 -7.7333 -7.3931 -7.3931 -7.3917 -7.3917 -5.8119 -5.8119 -5.8111 -5.8111 -4.5070 -4.5070 -4.5060 -4.5060 -3.7593 -3.7593 -3.7588 -3.7588 -0.9597 -0.9597 -0.9593 -0.9593 -0.5289 -0.5289 -0.5284 -0.5284 -0.0932 -0.0932 -0.0929 -0.0929 5.7862 5.7862 5.7863 5.7863 7.1997 7.1997 7.2001 7.2001 8.4020 8.4020 k = 0.3966 0.5000-0.0000 ( 5346 PWs) bands (ev): -20.3264 -20.3264 -20.3264 -20.3264 -16.8475 -16.8475 -16.8475 -16.8475 -15.7675 -15.7675 -15.7675 -15.7675 -9.4215 -9.4215 -9.4214 -9.4214 -7.7244 -7.7244 -7.7233 -7.7233 -7.3957 -7.3957 -7.3945 -7.3945 -5.8251 -5.8251 -5.8244 -5.8244 -4.5011 -4.5011 -4.5003 -4.5003 -3.7609 -3.7609 -3.7605 -3.7605 -0.9572 -0.9572 -0.9569 -0.9569 -0.5262 -0.5262 -0.5258 -0.5258 -0.0906 -0.0906 -0.0902 -0.0902 5.7826 5.7826 5.7827 5.7827 7.2146 7.2146 7.2150 7.2150 8.3755 8.3755 k = 0.4138 0.5000-0.0000 ( 5336 PWs) bands (ev): -20.3264 -20.3264 -20.3264 -20.3264 -16.8473 -16.8473 -16.8473 -16.8473 -15.7680 -15.7680 -15.7680 -15.7680 -9.4225 -9.4225 -9.4224 -9.4224 -7.7155 -7.7155 -7.7145 -7.7145 -7.3981 -7.3981 -7.3971 -7.3971 -5.8365 -5.8365 -5.8359 -5.8359 -4.4961 -4.4961 -4.4954 -4.4954 -3.7623 -3.7623 -3.7620 -3.7620 -0.9551 -0.9551 -0.9548 -0.9548 -0.5239 -0.5239 -0.5235 -0.5235 -0.0882 -0.0882 -0.0879 -0.0879 5.7796 5.7796 5.7796 5.7796 7.2279 7.2279 7.2282 7.2282 8.3524 8.3524 k = 0.4310 0.5000-0.0000 ( 5322 PWs) bands (ev): -20.3263 -20.3263 -20.3263 -20.3263 -16.8470 -16.8470 -16.8470 -16.8470 -15.7685 -15.7685 -15.7685 -15.7685 -9.4233 -9.4233 -9.4232 -9.4232 -7.7079 -7.7079 -7.7071 -7.7071 -7.4002 -7.4002 -7.3993 -7.3993 -5.8460 -5.8460 -5.8455 -5.8455 -4.4919 -4.4919 -4.4913 -4.4913 -3.7635 -3.7635 -3.7633 -3.7633 -0.9533 -0.9533 -0.9531 -0.9531 -0.5220 -0.5220 -0.5217 -0.5217 -0.0862 -0.0862 -0.0860 -0.0860 5.7770 5.7770 5.7771 5.7771 7.2393 7.2393 7.2395 7.2395 8.3329 8.3329 k = 0.4483 0.5000-0.0000 ( 5326 PWs) bands (ev): -20.3263 -20.3263 -20.3263 -20.3263 -16.8469 -16.8469 -16.8469 -16.8469 -15.7688 -15.7688 -15.7688 -15.7688 -9.4240 -9.4240 -9.4239 -9.4239 -7.7017 -7.7017 -7.7011 -7.7011 -7.4019 -7.4019 -7.4012 -7.4012 -5.8534 -5.8534 -5.8531 -5.8531 -4.4886 -4.4886 -4.4882 -4.4882 -3.7645 -3.7645 -3.7643 -3.7643 -0.9519 -0.9519 -0.9518 -0.9518 -0.5204 -0.5204 -0.5202 -0.5202 -0.0847 -0.0847 -0.0845 -0.0845 5.7751 5.7751 5.7751 5.7751 7.2485 7.2485 7.2487 7.2487 8.3173 8.3175 k = 0.4655 0.5000-0.0000 ( 5318 PWs) bands (ev): -20.3263 -20.3263 -20.3263 -20.3263 -16.8468 -16.8468 -16.8468 -16.8468 -15.7691 -15.7691 -15.7691 -15.7691 -9.4244 -9.4244 -9.4244 -9.4244 -7.6972 -7.6972 -7.6967 -7.6967 -7.4031 -7.4031 -7.4027 -7.4027 -5.8588 -5.8588 -5.8586 -5.8586 -4.4863 -4.4863 -4.4860 -4.4860 -3.7652 -3.7652 -3.7650 -3.7650 -0.9509 -0.9509 -0.9508 -0.9508 -0.5193 -0.5193 -0.5192 -0.5192 -0.0835 -0.0835 -0.0834 -0.0834 5.7736 5.7736 5.7737 5.7737 7.2553 7.2553 7.2554 7.2554 8.3060 8.3061 k = 0.4828 0.5000-0.0000 ( 5326 PWs) bands (ev): -20.3262 -20.3262 -20.3262 -20.3262 -16.8467 -16.8467 -16.8467 -16.8467 -15.7692 -15.7692 -15.7692 -15.7692 -9.4247 -9.4247 -9.4247 -9.4247 -7.6944 -7.6944 -7.6942 -7.6942 -7.4039 -7.4039 -7.4036 -7.4036 -5.8620 -5.8620 -5.8619 -5.8619 -4.4848 -4.4848 -4.4847 -4.4847 -3.7656 -3.7656 -3.7655 -3.7655 -0.9503 -0.9503 -0.9502 -0.9502 -0.5186 -0.5186 -0.5186 -0.5186 -0.0828 -0.0828 -0.0828 -0.0828 5.7728 5.7728 5.7728 5.7728 7.2594 7.2594 7.2595 7.2595 8.2991 8.2991 k = 0.5000 0.5000-0.0000 ( 5320 PWs) bands (ev): -20.3262 -20.3262 -20.3262 -20.3262 -16.8467 -16.8467 -16.8467 -16.8467 -15.7693 -15.7693 -15.7693 -15.7693 -9.4248 -9.4248 -9.4248 -9.4248 -7.6933 -7.6933 -7.6933 -7.6933 -7.4040 -7.4040 -7.4040 -7.4040 -5.8631 -5.8631 -5.8631 -5.8631 -4.4843 -4.4843 -4.4843 -4.4843 -3.7657 -3.7657 -3.7657 -3.7657 -0.9500 -0.9500 -0.9500 -0.9500 -0.5184 -0.5184 -0.5184 -0.5184 -0.0826 -0.0826 -0.0826 -0.0826 5.7725 5.7725 5.7725 5.7725 7.2609 7.2609 7.2609 7.2609 8.2968 8.2968 k = 0.5000 0.5000-0.0000 ( 5320 PWs) bands (ev): -20.3262 -20.3262 -20.3262 -20.3262 -16.8467 -16.8467 -16.8467 -16.8467 -15.7693 -15.7693 -15.7693 -15.7693 -9.4248 -9.4248 -9.4248 -9.4248 -7.6933 -7.6933 -7.6933 -7.6933 -7.4040 -7.4040 -7.4040 -7.4040 -5.8631 -5.8631 -5.8631 -5.8631 -4.4843 -4.4843 -4.4843 -4.4843 -3.7657 -3.7657 -3.7657 -3.7657 -0.9500 -0.9500 -0.9500 -0.9500 -0.5184 -0.5184 -0.5184 -0.5184 -0.0826 -0.0826 -0.0826 -0.0826 5.7725 5.7725 5.7725 5.7725 7.2609 7.2609 7.2609 7.2609 8.2968 8.2968 k = 0.4875 0.4875-0.0000 ( 5322 PWs) bands (ev): -20.3264 -20.3264 -20.3261 -20.3261 -16.8467 -16.8467 -16.8467 -16.8467 -15.7693 -15.7693 -15.7692 -15.7692 -9.4251 -9.4251 -9.4243 -9.4242 -7.6954 -7.6952 -7.6934 -7.6932 -7.4040 -7.4040 -7.4035 -7.4034 -5.8631 -5.8631 -5.8608 -5.8607 -4.4855 -4.4853 -4.4841 -4.4841 -3.7659 -3.7659 -3.7652 -3.7651 -0.9504 -0.9503 -0.9502 -0.9502 -0.5187 -0.5186 -0.5186 -0.5185 -0.0836 -0.0836 -0.0821 -0.0820 5.7722 5.7722 5.7734 5.7734 7.2555 7.2556 7.2632 7.2633 8.2971 8.2972 k = 0.4750 0.4750-0.0000 ( 5318 PWs) bands (ev): -20.3268 -20.3268 -20.3257 -20.3257 -16.8469 -16.8469 -16.8466 -16.8466 -15.7692 -15.7692 -15.7689 -15.7689 -9.4261 -9.4261 -9.4227 -9.4226 -7.7013 -7.7008 -7.6933 -7.6931 -7.4039 -7.4039 -7.4020 -7.4016 -5.8631 -5.8631 -5.8539 -5.8538 -4.4889 -4.4886 -4.4837 -4.4837 -3.7666 -3.7665 -3.7636 -3.7635 -0.9513 -0.9511 -0.9506 -0.9505 -0.5195 -0.5193 -0.5192 -0.5191 -0.0866 -0.0866 -0.0805 -0.0804 5.7712 5.7712 5.7762 5.7762 7.2399 7.2401 7.2703 7.2704 8.2982 8.2983 k = 0.4625 0.4625-0.0000 ( 5320 PWs) bands (ev): -20.3276 -20.3276 -20.3250 -20.3250 -16.8472 -16.8472 -16.8466 -16.8466 -15.7690 -15.7690 -15.7685 -15.7685 -9.4278 -9.4278 -9.4200 -9.4199 -7.7108 -7.7101 -7.6931 -7.6928 -7.4038 -7.4038 -7.3994 -7.3990 -5.8631 -5.8631 -5.8426 -5.8425 -4.4946 -4.4940 -4.4829 -4.4829 -3.7678 -3.7676 -3.7610 -3.7609 -0.9528 -0.9525 -0.9512 -0.9512 -0.5208 -0.5206 -0.5202 -0.5200 -0.0916 -0.0916 -0.0780 -0.0778 5.7696 5.7696 5.7808 5.7808 7.2150 7.2152 7.2822 7.2823 8.3001 8.3002 k = 0.4500 0.4500-0.0000 ( 5336 PWs) bands (ev): -20.3286 -20.3286 -20.3241 -20.3241 -16.8476 -16.8476 -16.8466 -16.8466 -15.7689 -15.7689 -15.7680 -15.7680 -9.4302 -9.4301 -9.4163 -9.4162 -7.7234 -7.7226 -7.6929 -7.6924 -7.4036 -7.4036 -7.3962 -7.3957 -5.8631 -5.8631 -5.8271 -5.8270 -4.5023 -4.5016 -4.4819 -4.4819 -3.7694 -3.7692 -3.7575 -3.7573 -0.9547 -0.9544 -0.9521 -0.9521 -0.5226 -0.5223 -0.5216 -0.5213 -0.0985 -0.0985 -0.0744 -0.0741 5.7674 5.7674 5.7872 5.7872 7.1818 7.1821 7.2986 7.2988 8.3028 8.3029 k = 0.4375 0.4375-0.0000 ( 5342 PWs) bands (ev): -20.3299 -20.3299 -20.3229 -20.3229 -16.8481 -16.8481 -16.8465 -16.8465 -15.7686 -15.7686 -15.7673 -15.7673 -9.4331 -9.4330 -9.4116 -9.4114 -7.7388 -7.7379 -7.6925 -7.6918 -7.4033 -7.4033 -7.3923 -7.3918 -5.8632 -5.8632 -5.8078 -5.8076 -4.5120 -4.5111 -4.4805 -4.4805 -3.7715 -3.7712 -3.7531 -3.7529 -0.9572 -0.9568 -0.9532 -0.9532 -0.5248 -0.5245 -0.5233 -0.5229 -0.1072 -0.1072 -0.0699 -0.0696 5.7646 5.7646 5.7952 5.7952 7.1419 7.1422 7.3197 7.3198 8.3063 8.3064 k = 0.4250 0.4250-0.0000 ( 5346 PWs) bands (ev): -20.3315 -20.3315 -20.3214 -20.3214 -16.8486 -16.8486 -16.8464 -16.8464 -15.7684 -15.7684 -15.7665 -15.7665 -9.4367 -9.4366 -9.4058 -9.4056 -7.7566 -7.7555 -7.6919 -7.6911 -7.4030 -7.4030 -7.3882 -7.3876 -5.8632 -5.8632 -5.7850 -5.7848 -4.5236 -4.5226 -4.4789 -4.4789 -3.7740 -3.7736 -3.7478 -3.7476 -0.9600 -0.9596 -0.9546 -0.9545 -0.5275 -0.5271 -0.5252 -0.5248 -0.1177 -0.1177 -0.0645 -0.0642 5.7614 5.7614 5.8048 5.8048 7.0964 7.0968 7.3451 7.3453 8.3107 8.3109 k = 0.4125 0.4125-0.0000 ( 5350 PWs) bands (ev): -20.3333 -20.3333 -20.3197 -20.3197 -16.8493 -16.8493 -16.8464 -16.8464 -15.7680 -15.7680 -15.7655 -15.7655 -9.4409 -9.4408 -9.3990 -9.3988 -7.7762 -7.7751 -7.6911 -7.6902 -7.4026 -7.4026 -7.3838 -7.3832 -5.8632 -5.8632 -5.7593 -5.7590 -4.5369 -4.5357 -4.4770 -4.4770 -3.7769 -3.7765 -3.7419 -3.7416 -0.9632 -0.9627 -0.9561 -0.9560 -0.5307 -0.5302 -0.5273 -0.5268 -0.1299 -0.1299 -0.0584 -0.0580 5.7577 5.7577 5.8159 5.8159 7.0467 7.0470 7.3749 7.3751 8.3161 8.3163 k = 0.4000 0.4000-0.0000 ( 5352 PWs) bands (ev): -20.3354 -20.3354 -20.3178 -20.3178 -16.8501 -16.8501 -16.8463 -16.8463 -15.7677 -15.7677 -15.7645 -15.7645 -9.4457 -9.4456 -9.3913 -9.3910 -7.7973 -7.7961 -7.6900 -7.6891 -7.4022 -7.4022 -7.3793 -7.3788 -5.8633 -5.8632 -5.7310 -5.7307 -4.5516 -4.5504 -4.4749 -4.4749 -3.7802 -3.7797 -3.7353 -3.7350 -0.9666 -0.9660 -0.9578 -0.9577 -0.5342 -0.5336 -0.5296 -0.5291 -0.1437 -0.1436 -0.0515 -0.0511 5.7536 5.7536 5.8283 5.8283 6.9937 6.9940 7.4087 7.4089 8.3225 8.3227 k = 0.3875 0.3875-0.0000 ( 5358 PWs) bands (ev): -20.3377 -20.3377 -20.3156 -20.3156 -16.8509 -16.8509 -16.8461 -16.8461 -15.7673 -15.7673 -15.7634 -15.7634 -9.4511 -9.4509 -9.3825 -9.3823 -7.8195 -7.8183 -7.6887 -7.6876 -7.4018 -7.4017 -7.3749 -7.3745 -5.8633 -5.8633 -5.7008 -5.7005 -4.5676 -4.5664 -4.4725 -4.4724 -3.7840 -3.7834 -3.7281 -3.7279 -0.9701 -0.9695 -0.9596 -0.9596 -0.5381 -0.5375 -0.5320 -0.5314 -0.1588 -0.1588 -0.0440 -0.0435 5.7492 5.7492 5.8419 5.8419 6.9383 6.9386 7.4465 7.4467 8.3301 8.3303 k = 0.3750 0.3750-0.0000 ( 5360 PWs) bands (ev): -20.3403 -20.3402 -20.3132 -20.3132 -16.8518 -16.8518 -16.8460 -16.8460 -15.7668 -15.7668 -15.7622 -15.7622 -9.4570 -9.4568 -9.3729 -9.3726 -7.8425 -7.8413 -7.6870 -7.6858 -7.4013 -7.4012 -7.3705 -7.3702 -5.8634 -5.8633 -5.6694 -5.6690 -4.5846 -4.5833 -4.4698 -4.4698 -3.7881 -3.7875 -3.7205 -3.7204 -0.9737 -0.9730 -0.9616 -0.9615 -0.5424 -0.5417 -0.5344 -0.5337 -0.1752 -0.1751 -0.0360 -0.0354 5.7444 5.7445 5.8566 5.8566 6.8812 6.8816 7.4879 7.4882 8.3388 8.3391 k = 0.3625 0.3625-0.0000 ( 5364 PWs) bands (ev): -20.3430 -20.3430 -20.3107 -20.3107 -16.8528 -16.8528 -16.8458 -16.8458 -15.7663 -15.7663 -15.7610 -15.7610 -9.4635 -9.4632 -9.3624 -9.3621 -7.8658 -7.8646 -7.6849 -7.6836 -7.4007 -7.4007 -7.3664 -7.3662 -5.8634 -5.8634 -5.6372 -5.6369 -4.6022 -4.6009 -4.4669 -4.4669 -3.7925 -3.7919 -3.7126 -3.7125 -0.9772 -0.9765 -0.9637 -0.9636 -0.5471 -0.5463 -0.5367 -0.5360 -0.1926 -0.1926 -0.0275 -0.0269 5.7395 5.7395 5.8721 5.8721 6.8231 6.8235 7.5328 7.5330 8.3489 8.3492 k = 0.3500 0.3500-0.0000 ( 5358 PWs) bands (ev): -20.3459 -20.3459 -20.3079 -20.3079 -16.8538 -16.8538 -16.8457 -16.8456 -15.7658 -15.7658 -15.7598 -15.7598 -9.4704 -9.4701 -9.3510 -9.3507 -7.8894 -7.8882 -7.6823 -7.6809 -7.4001 -7.4001 -7.3624 -7.3623 -5.8634 -5.8634 -5.6051 -5.6047 -4.6201 -4.6188 -4.4638 -4.4638 -3.7974 -3.7967 -3.7044 -3.7043 -0.9806 -0.9798 -0.9658 -0.9657 -0.5522 -0.5514 -0.5388 -0.5381 -0.2110 -0.2109 -0.0186 -0.0180 5.7342 5.7343 5.8882 5.8883 6.7646 6.7650 7.5808 7.5811 8.3604 8.3608 k = 0.3375 0.3375-0.0000 ( 5370 PWs) bands (ev): -20.3490 -20.3490 -20.3050 -20.3050 -16.8548 -16.8548 -16.8455 -16.8455 -15.7652 -15.7652 -15.7586 -15.7586 -9.4777 -9.4774 -9.3389 -9.3386 -7.9128 -7.9116 -7.6793 -7.6778 -7.3995 -7.3995 -7.3587 -7.3586 -5.8635 -5.8634 -5.5737 -5.5733 -4.6378 -4.6366 -4.4605 -4.4605 -3.8025 -3.8019 -3.6961 -3.6960 -0.9838 -0.9830 -0.9679 -0.9678 -0.5577 -0.5569 -0.5408 -0.5400 -0.2300 -0.2299 -0.0095 -0.0089 5.7287 5.7288 5.9049 5.9049 6.7062 6.7066 7.6316 7.6319 8.3735 8.3738 k = 0.3250 0.3250-0.0000 ( 5366 PWs) bands (ev): -20.3522 -20.3522 -20.3019 -20.3019 -16.8559 -16.8559 -16.8452 -16.8452 -15.7647 -15.7647 -15.7574 -15.7574 -9.4854 -9.4851 -9.3261 -9.3257 -7.9359 -7.9347 -7.6757 -7.6741 -7.3989 -7.3988 -7.3553 -7.3551 -5.8635 -5.8634 -5.5438 -5.5435 -4.6547 -4.6536 -4.4571 -4.4570 -3.8080 -3.8074 -3.6876 -3.6876 -0.9866 -0.9858 -0.9701 -0.9699 -0.5638 -0.5629 -0.5424 -0.5416 -0.2495 -0.2493 -0.0001 0.0005 5.7228 5.7229 5.9219 5.9219 6.6484 6.6487 7.6848 7.6851 8.3881 8.3885 k = 0.3125 0.3125-0.0000 ( 5374 PWs) bands (ev): -20.3556 -20.3556 -20.2987 -20.2987 -16.8570 -16.8570 -16.8450 -16.8450 -15.7641 -15.7641 -15.7562 -15.7562 -9.4935 -9.4932 -9.3126 -9.3122 -7.9585 -7.9574 -7.6715 -7.6698 -7.3982 -7.3982 -7.3523 -7.3519 -5.8635 -5.8634 -5.5164 -5.5161 -4.6703 -4.6693 -4.4534 -4.4534 -3.8138 -3.8132 -3.6792 -3.6792 -0.9891 -0.9882 -0.9722 -0.9720 -0.5704 -0.5694 -0.5437 -0.5429 -0.2692 -0.2690 0.0094 0.0100 5.7164 5.7165 5.9391 5.9391 6.5916 6.5919 7.7401 7.7403 8.4045 8.4050 k = 0.3000 0.3000-0.0000 ( 5378 PWs) bands (ev): -20.3591 -20.3591 -20.2954 -20.2954 -16.8581 -16.8581 -16.8447 -16.8447 -15.7635 -15.7635 -15.7551 -15.7551 -9.5018 -9.5016 -9.2985 -9.2981 -7.9804 -7.9794 -7.6667 -7.6649 -7.3975 -7.3975 -7.3495 -7.3490 -5.8635 -5.8635 -5.4922 -5.4921 -4.6837 -4.6829 -4.4497 -4.4496 -3.8199 -3.8193 -3.6708 -3.6707 -0.9911 -0.9903 -0.9742 -0.9740 -0.5777 -0.5766 -0.5446 -0.5438 -0.2889 -0.2887 0.0189 0.0196 5.7094 5.7095 5.9562 5.9563 6.5363 6.5367 7.7968 7.7970 8.4227 8.4232 k = 0.2875 0.2875-0.0000 ( 5366 PWs) bands (ev): -20.3626 -20.3626 -20.2920 -20.2920 -16.8593 -16.8592 -16.8444 -16.8444 -15.7628 -15.7628 -15.7541 -15.7541 -9.5105 -9.5102 -9.2838 -9.2835 -8.0016 -8.0006 -7.6611 -7.6592 -7.3968 -7.3967 -7.3469 -7.3463 -5.8635 -5.8635 -5.4723 -5.4722 -4.6943 -4.6937 -4.4458 -4.4457 -3.8262 -3.8257 -3.6625 -3.6623 -0.9926 -0.9918 -0.9761 -0.9759 -0.5857 -0.5846 -0.5450 -0.5442 -0.3083 -0.3080 0.0284 0.0291 5.7016 5.7018 5.9732 5.9732 6.4832 6.4835 7.8544 7.8546 8.4428 8.4434 k = 0.2750 0.2750-0.0000 ( 5374 PWs) bands (ev): -20.3662 -20.3662 -20.2885 -20.2885 -16.8604 -16.8604 -16.8441 -16.8441 -15.7622 -15.7622 -15.7532 -15.7532 -9.5193 -9.5190 -9.2688 -9.2684 -8.0219 -8.0209 -7.6548 -7.6528 -7.3960 -7.3960 -7.3448 -7.3440 -5.8635 -5.8635 -5.4575 -5.4574 -4.7014 -4.7010 -4.4418 -4.4417 -3.8328 -3.8323 -3.6544 -3.6541 -0.9936 -0.9928 -0.9779 -0.9777 -0.5946 -0.5935 -0.5449 -0.5441 -0.3271 -0.3268 0.0379 0.0386 5.6928 5.6929 5.9898 5.9899 6.4325 6.4329 7.9121 7.9122 8.4649 8.4655 k = 0.2625 0.2625-0.0000 ( 5374 PWs) bands (ev): -20.3699 -20.3699 -20.2850 -20.2850 -16.8615 -16.8615 -16.8438 -16.8438 -15.7615 -15.7615 -15.7524 -15.7524 -9.5282 -9.5279 -9.2534 -9.2530 -8.0413 -8.0403 -7.6477 -7.6456 -7.3953 -7.3953 -7.3429 -7.3420 -5.8635 -5.8634 -5.4486 -5.4483 -4.7042 -4.7041 -4.4377 -4.4377 -3.8397 -3.8392 -3.6464 -3.6460 -0.9940 -0.9932 -0.9796 -0.9793 -0.6045 -0.6033 -0.5443 -0.5434 -0.3452 -0.3448 0.0472 0.0479 5.6825 5.6827 6.0060 6.0061 6.3850 6.3854 7.9688 7.9689 8.4890 8.4896 k = 0.2500 0.2500-0.0000 ( 5370 PWs) bands (ev): -20.3735 -20.3735 -20.2814 -20.2814 -16.8626 -16.8626 -16.8434 -16.8434 -15.7608 -15.7608 -15.7517 -15.7516 -9.5372 -9.5369 -9.2378 -9.2374 -8.0596 -8.0587 -7.6398 -7.6376 -7.3945 -7.3945 -7.3413 -7.3402 -5.8635 -5.8634 -5.4458 -5.4455 -4.7028 -4.7026 -4.4336 -4.4336 -3.8468 -3.8464 -3.6386 -3.6382 -0.9938 -0.9931 -0.9810 -0.9807 -0.6154 -0.6141 -0.5431 -0.5423 -0.3622 -0.3618 0.0564 0.0571 5.6706 5.6708 6.0216 6.0217 6.3412 6.3415 8.0233 8.0234 8.5152 8.5158 k = 0.2375 0.2375-0.0000 ( 5372 PWs) bands (ev): -20.3772 -20.3772 -20.2778 -20.2778 -16.8636 -16.8636 -16.8431 -16.8431 -15.7602 -15.7602 -15.7511 -15.7510 -9.5462 -9.5459 -9.2220 -9.2216 -8.0769 -8.0760 -7.6311 -7.6288 -7.3938 -7.3938 -7.3400 -7.3388 -5.8635 -5.8634 -5.4495 -5.4490 -4.6967 -4.6963 -4.4295 -4.4294 -3.8541 -3.8538 -3.6310 -3.6306 -0.9931 -0.9924 -0.9823 -0.9819 -0.6275 -0.6261 -0.5413 -0.5405 -0.3779 -0.3775 0.0653 0.0660 5.6566 5.6568 6.0365 6.0367 6.3014 6.3018 8.0740 8.0741 8.5435 8.5442 k = 0.2250 0.2250-0.0000 ( 5380 PWs) bands (ev): -20.3808 -20.3808 -20.2743 -20.2743 -16.8647 -16.8647 -16.8427 -16.8427 -15.7595 -15.7595 -15.7506 -15.7506 -9.5552 -9.5549 -9.2062 -9.2058 -8.0931 -8.0922 -7.6215 -7.6191 -7.3931 -7.3930 -7.3391 -7.3377 -5.8634 -5.8634 -5.4592 -5.4586 -4.6863 -4.6856 -4.4253 -4.4253 -3.8617 -3.8614 -3.6238 -3.6233 -0.9919 -0.9911 -0.9832 -0.9829 -0.6406 -0.6393 -0.5390 -0.5382 -0.3923 -0.3919 0.0740 0.0746 5.6404 5.6406 6.0507 6.0508 6.2663 6.2666 8.1189 8.1189 8.5739 8.5746 k = 0.2125 0.2125-0.0000 ( 5384 PWs) bands (ev): -20.3844 -20.3844 -20.2708 -20.2707 -16.8657 -16.8657 -16.8423 -16.8423 -15.7589 -15.7589 -15.7502 -15.7502 -9.5641 -9.5638 -9.1904 -9.1900 -8.1081 -8.1073 -7.6111 -7.6085 -7.3923 -7.3923 -7.3385 -7.3369 -5.8634 -5.8634 -5.4746 -5.4738 -4.6719 -4.6710 -4.4212 -4.4212 -3.8694 -3.8693 -3.6168 -3.6163 -0.9901 -0.9894 -0.9839 -0.9835 -0.6549 -0.6535 -0.5361 -0.5354 -0.4052 -0.4048 0.0823 0.0829 5.6218 5.6220 6.0641 6.0642 6.2359 6.2362 8.1559 8.1559 8.6063 8.6071 k = 0.2000 0.2000-0.0000 ( 5376 PWs) bands (ev): -20.3879 -20.3879 -20.2673 -20.2673 -16.8667 -16.8667 -16.8419 -16.8418 -15.7582 -15.7582 -15.7499 -15.7499 -9.5728 -9.5725 -9.1748 -9.1745 -8.1221 -8.1213 -7.5998 -7.5971 -7.3916 -7.3916 -7.3381 -7.3364 -5.8634 -5.8633 -5.4947 -5.4939 -4.6542 -4.6531 -4.4172 -4.4171 -3.8773 -3.8773 -3.6102 -3.6096 -0.9878 -0.9871 -0.9843 -0.9839 -0.6701 -0.6687 -0.5328 -0.5321 -0.4166 -0.4162 0.0903 0.0909 5.6008 5.6010 6.0765 6.0767 6.2106 6.2109 8.1833 8.1833 8.6409 8.6417 k = 0.1875 0.1875-0.0000 ( 5388 PWs) bands (ev): -20.3913 -20.3913 -20.2639 -20.2639 -16.8676 -16.8676 -16.8414 -16.8414 -15.7576 -15.7576 -15.7498 -15.7498 -9.5813 -9.5810 -9.1596 -9.1592 -8.1349 -8.1342 -7.5877 -7.5849 -7.3909 -7.3909 -7.3381 -7.3362 -5.8633 -5.8633 -5.5189 -5.5180 -4.6340 -4.6327 -4.4132 -4.4132 -3.8855 -3.8855 -3.6039 -3.6033 -0.9852 -0.9845 -0.9841 -0.9839 -0.6861 -0.6848 -0.5290 -0.5284 -0.4266 -0.4262 0.0979 0.0985 5.5776 5.5778 6.0881 6.0882 6.1901 6.1904 8.2004 8.2005 8.6774 8.6782 k = 0.1750 0.1750-0.0000 ( 5380 PWs) bands (ev): -20.3946 -20.3946 -20.2606 -20.2606 -16.8685 -16.8685 -16.8410 -16.8410 -15.7570 -15.7570 -15.7497 -15.7497 -9.5895 -9.5892 -9.1447 -9.1443 -8.1467 -8.1460 -7.5749 -7.5719 -7.3902 -7.3902 -7.3384 -7.3363 -5.8633 -5.8632 -5.5462 -5.5453 -4.6119 -4.6104 -4.4093 -4.4093 -3.8938 -3.8937 -3.5979 -3.5973 -0.9842 -0.9836 -0.9818 -0.9813 -0.7028 -0.7014 -0.5249 -0.5242 -0.4353 -0.4349 0.1051 0.1057 5.5525 5.5527 6.0987 6.0988 6.1742 6.1745 8.2080 8.2081 8.7158 8.7167 k = 0.1625 0.1625-0.0000 ( 5372 PWs) bands (ev): -20.3977 -20.3977 -20.2575 -20.2574 -16.8693 -16.8693 -16.8406 -16.8406 -15.7564 -15.7564 -15.7498 -15.7497 -9.5974 -9.5971 -9.1303 -9.1299 -8.1574 -8.1568 -7.5613 -7.5583 -7.3896 -7.3896 -7.3390 -7.3368 -5.8632 -5.8631 -5.5757 -5.5748 -4.5886 -4.5870 -4.4056 -4.4055 -3.9022 -3.9021 -3.5923 -3.5917 -0.9834 -0.9828 -0.9784 -0.9779 -0.7198 -0.7185 -0.5204 -0.5198 -0.4427 -0.4423 0.1119 0.1125 5.5260 5.5262 6.1084 6.1086 6.1625 6.1628 8.2076 8.2078 8.7560 8.7569 k = 0.1500 0.1500-0.0000 ( 5370 PWs) bands (ev): -20.4007 -20.4007 -20.2544 -20.2544 -16.8701 -16.8701 -16.8402 -16.8401 -15.7559 -15.7559 -15.7499 -15.7499 -9.6049 -9.6046 -9.1165 -9.1162 -8.1671 -8.1665 -7.5472 -7.5440 -7.3890 -7.3889 -7.3399 -7.3375 -5.8631 -5.8631 -5.6068 -5.6059 -4.5647 -4.5631 -4.4020 -4.4020 -3.9108 -3.9105 -3.5871 -3.5865 -0.9823 -0.9817 -0.9747 -0.9743 -0.7371 -0.7358 -0.5158 -0.5152 -0.4491 -0.4487 0.1183 0.1188 5.4988 5.4990 6.1172 6.1173 6.1545 6.1548 8.2014 8.2015 8.7979 8.7988 k = 0.1375 0.1375-0.0000 ( 5372 PWs) bands (ev): -20.4036 -20.4035 -20.2516 -20.2516 -16.8708 -16.8708 -16.8397 -16.8397 -15.7553 -15.7553 -15.7500 -15.7500 -9.6120 -9.6117 -9.1035 -9.1032 -8.1758 -8.1752 -7.5326 -7.5293 -7.3884 -7.3884 -7.3412 -7.3385 -5.8631 -5.8630 -5.6385 -5.6377 -4.5408 -4.5392 -4.3986 -4.3986 -3.9193 -3.9190 -3.5822 -3.5817 -0.9807 -0.9801 -0.9709 -0.9705 -0.7543 -0.7530 -0.5110 -0.5105 -0.4545 -0.4541 0.1241 0.1246 5.4714 5.4715 6.1251 6.1252 6.1496 6.1498 8.1910 8.1912 8.8413 8.8423 k = 0.1250 0.1250-0.0000 ( 5373 PWs) bands (ev): -20.4062 -20.4062 -20.2489 -20.2489 -16.8715 -16.8715 -16.8393 -16.8393 -15.7548 -15.7548 -15.7503 -15.7503 -9.6186 -9.6184 -9.0912 -9.0910 -8.1836 -8.1830 -7.5176 -7.5142 -7.3878 -7.3878 -7.3427 -7.3399 -5.8630 -5.8630 -5.6703 -5.6695 -4.5173 -4.5157 -4.3954 -4.3954 -3.9278 -3.9274 -3.5778 -3.5772 -0.9787 -0.9780 -0.9670 -0.9667 -0.7713 -0.7700 -0.5062 -0.5057 -0.4591 -0.4588 0.1295 0.1300 5.4444 5.4445 6.1321 6.1323 6.1471 6.1473 8.1782 8.1784 8.8860 8.8870 k = 0.1125 0.1125-0.0000 ( 5367 PWs) bands (ev): -20.4086 -20.4086 -20.2464 -20.2464 -16.8721 -16.8721 -16.8390 -16.8390 -15.7544 -15.7544 -15.7505 -15.7505 -9.6247 -9.6245 -9.0799 -9.0797 -8.1904 -8.1899 -7.5025 -7.4989 -7.3873 -7.3873 -7.3447 -7.3416 -5.8630 -5.8629 -5.7014 -5.7007 -4.4947 -4.4930 -4.3924 -4.3924 -3.9362 -3.9358 -3.5738 -3.5732 -0.9761 -0.9755 -0.9631 -0.9629 -0.7879 -0.7866 -0.5015 -0.5010 -0.4629 -0.4626 0.1345 0.1349 5.4183 5.4185 6.1383 6.1385 6.1466 6.1468 8.1642 8.1643 8.9317 8.9327 k = 0.1000 0.1000-0.0000 ( 5347 PWs) bands (ev): -20.4108 -20.4108 -20.2442 -20.2442 -16.8726 -16.8726 -16.8386 -16.8386 -15.7540 -15.7540 -15.7508 -15.7508 -9.6302 -9.6300 -9.0695 -9.0693 -8.1964 -8.1960 -7.4874 -7.4836 -7.3868 -7.3868 -7.3470 -7.3438 -5.8629 -5.8628 -5.7312 -5.7306 -4.4731 -4.4716 -4.3897 -4.3897 -3.9444 -3.9439 -3.5701 -3.5696 -0.9731 -0.9724 -0.9593 -0.9591 -0.8039 -0.8027 -0.4969 -0.4965 -0.4661 -0.4659 0.1389 0.1393 5.3938 5.3940 6.1437 6.1438 6.1476 6.1478 8.1498 8.1500 8.9783 8.9792 k = 0.0875 0.0875-0.0000 ( 5361 PWs) bands (ev): -20.4128 -20.4128 -20.2421 -20.2421 -16.8731 -16.8731 -16.8383 -16.8383 -15.7536 -15.7536 -15.7511 -15.7511 -9.6352 -9.6350 -9.0602 -9.0600 -8.2016 -8.2012 -7.4724 -7.4686 -7.3864 -7.3864 -7.3498 -7.3463 -5.8628 -5.8628 -5.7593 -5.7587 -4.4531 -4.4516 -4.3872 -4.3872 -3.9522 -3.9517 -3.5669 -3.5665 -0.9697 -0.9689 -0.9558 -0.9556 -0.8192 -0.8181 -0.4926 -0.4923 -0.4688 -0.4686 0.1428 0.1431 5.3712 5.3713 6.1482 6.1484 6.1497 6.1498 8.1358 8.1360 9.0251 9.0261 k = 0.0750 0.0750-0.0000 ( 5363 PWs) bands (ev): -20.4146 -20.4146 -20.2404 -20.2403 -16.8735 -16.8735 -16.8380 -16.8380 -15.7533 -15.7533 -15.7514 -15.7514 -9.6396 -9.6394 -9.0521 -9.0519 -8.2060 -8.2056 -7.4579 -7.4539 -7.3860 -7.3860 -7.3530 -7.3494 -5.8628 -5.8628 -5.7849 -5.7844 -4.4349 -4.4335 -4.3851 -4.3851 -3.9596 -3.9591 -3.5642 -3.5638 -0.9657 -0.9649 -0.9525 -0.9524 -0.8337 -0.8326 -0.4887 -0.4885 -0.4710 -0.4708 0.1462 0.1465 5.3509 5.3510 6.1516 6.1518 6.1527 6.1527 8.1228 8.1229 9.0718 9.0728 k = 0.0625 0.0625-0.0000 ( 5365 PWs) bands (ev): -20.4161 -20.4161 -20.2388 -20.2388 -16.8739 -16.8739 -16.8377 -16.8377 -15.7530 -15.7530 -15.7516 -15.7516 -9.6433 -9.6432 -9.0450 -9.0449 -8.2096 -8.2093 -7.4439 -7.4398 -7.3857 -7.3857 -7.3569 -7.3530 -5.8628 -5.8627 -5.8075 -5.8071 -4.4187 -4.4175 -4.3832 -4.3832 -3.9663 -3.9658 -3.5618 -3.5614 -0.9613 -0.9606 -0.9495 -0.9495 -0.8471 -0.8461 -0.4853 -0.4851 -0.4728 -0.4726 0.1491 0.1493 5.3331 5.3332 6.1544 6.1546 6.1558 6.1559 8.1111 8.1112 9.1175 9.1185 k = 0.0500 0.0500-0.0000 ( 5377 PWs) bands (ev): -20.4173 -20.4173 -20.2376 -20.2376 -16.8742 -16.8742 -16.8375 -16.8375 -15.7528 -15.7528 -15.7519 -15.7519 -9.6464 -9.6463 -9.0392 -9.0391 -8.2125 -8.2123 -7.4307 -7.4265 -7.3855 -7.3855 -7.3613 -7.3574 -5.8627 -5.8627 -5.8268 -5.8265 -4.4050 -4.4040 -4.3817 -4.3817 -3.9722 -3.9717 -3.5599 -3.5596 -0.9567 -0.9559 -0.9470 -0.9470 -0.8593 -0.8584 -0.4824 -0.4822 -0.4741 -0.4740 0.1514 0.1516 5.3183 5.3184 6.1571 6.1572 6.1584 6.1585 8.1011 8.1012 9.1612 9.1621 k = 0.0375 0.0375-0.0000 ( 5379 PWs) bands (ev): -20.4183 -20.4183 -20.2366 -20.2366 -16.8744 -16.8744 -16.8373 -16.8373 -15.7526 -15.7526 -15.7521 -15.7521 -9.6488 -9.6487 -9.0347 -9.0346 -8.2148 -8.2146 -7.4185 -7.4142 -7.3853 -7.3853 -7.3665 -7.3624 -5.8627 -5.8627 -5.8422 -5.8420 -4.3940 -4.3932 -4.3804 -4.3804 -3.9770 -3.9766 -3.5583 -3.5581 -0.9519 -0.9512 -0.9449 -0.9449 -0.8700 -0.8691 -0.4802 -0.4800 -0.4751 -0.4749 0.1533 0.1534 5.3065 5.3066 6.1594 6.1594 6.1604 6.1605 8.0931 8.0932 9.2010 9.2018 k = 0.0250 0.0250-0.0000 ( 5385 PWs) bands (ev): -20.4190 -20.4190 -20.2359 -20.2358 -16.8746 -16.8746 -16.8372 -16.8372 -15.7525 -15.7525 -15.7522 -15.7522 -9.6505 -9.6505 -9.0314 -9.0313 -8.2163 -8.2162 -7.4072 -7.4029 -7.3851 -7.3851 -7.3726 -7.3683 -5.8627 -5.8627 -5.8535 -5.8533 -4.3859 -4.3854 -4.3795 -4.3795 -3.9806 -3.9803 -3.5572 -3.5571 -0.9477 -0.9471 -0.9433 -0.9432 -0.8786 -0.8779 -0.4787 -0.4786 -0.4755 -0.4754 0.1546 0.1547 5.2980 5.2981 6.1611 6.1611 6.1619 6.1620 8.0873 8.0873 9.2341 9.2347 k = 0.0125 0.0125-0.0000 ( 5385 PWs) bands (ev): -20.4194 -20.4194 -20.2354 -20.2354 -16.8747 -16.8747 -16.8371 -16.8371 -15.7524 -15.7524 -15.7523 -15.7523 -9.6516 -9.6515 -9.0294 -9.0294 -8.2173 -8.2172 -7.3971 -7.3929 -7.3851 -7.3850 -7.3794 -7.3751 -5.8628 -5.8628 -5.8603 -5.8602 -4.3811 -4.3809 -4.3787 -4.3786 -3.9828 -3.9826 -3.5565 -3.5564 -0.9448 -0.9444 -0.9418 -0.9418 -0.8843 -0.8840 -0.4780 -0.4780 -0.4755 -0.4755 0.1554 0.1555 5.2929 5.2929 6.1621 6.1621 6.1629 6.1629 8.0837 8.0838 9.2569 9.2573 k = 0.0000 0.0000 0.0000 ( 5375 PWs) bands (ev): -20.4195 -20.4195 -20.2353 -20.2353 -16.8747 -16.8747 -16.8371 -16.8371 -15.7524 -15.7524 -15.7523 -15.7523 -9.6519 -9.6519 -9.0287 -9.0287 -8.2175 -8.2175 -7.3887 -7.3887 -7.3851 -7.3851 -7.3824 -7.3824 -5.8632 -5.8632 -5.8621 -5.8621 -4.3798 -4.3798 -4.3781 -4.3781 -3.9835 -3.9835 -3.5563 -3.5563 -0.9437 -0.9437 -0.9411 -0.9411 -0.8863 -0.8863 -0.4779 -0.4779 -0.4754 -0.4754 0.1557 0.1557 5.2912 5.2912 6.1625 6.1625 6.1632 6.1632 8.0825 8.0825 9.2653 9.2653 k = 0.0000 0.0000 0.0000 ( 5375 PWs) bands (ev): -20.4195 -20.4195 -20.2353 -20.2353 -16.8747 -16.8747 -16.8371 -16.8371 -15.7524 -15.7524 -15.7523 -15.7523 -9.6519 -9.6519 -9.0287 -9.0287 -8.2175 -8.2175 -7.3887 -7.3887 -7.3851 -7.3851 -7.3824 -7.3824 -5.8632 -5.8632 -5.8621 -5.8621 -4.3798 -4.3798 -4.3781 -4.3781 -3.9835 -3.9835 -3.5563 -3.5563 -0.9437 -0.9437 -0.9411 -0.9411 -0.8863 -0.8863 -0.4779 -0.4779 -0.4754 -0.4754 0.1557 0.1557 5.2912 5.2912 6.1625 6.1625 6.1632 6.1632 8.0825 8.0825 9.2653 9.2653 k = 0.0000 0.0000 0.0175 ( 5387 PWs) bands (ev): -20.4193 -20.4193 -20.2351 -20.2351 -16.8773 -16.8773 -16.8357 -16.8357 -15.7523 -15.7523 -15.7523 -15.7523 -9.6510 -9.6510 -9.0284 -9.0284 -8.2159 -8.2159 -7.3886 -7.3886 -7.3857 -7.3857 -7.3823 -7.3823 -5.8630 -5.8630 -5.8620 -5.8620 -4.3798 -4.3798 -4.3780 -4.3780 -3.9856 -3.9856 -3.5587 -3.5587 -0.9428 -0.9428 -0.9400 -0.9400 -0.8859 -0.8859 -0.4781 -0.4781 -0.4756 -0.4756 0.1554 0.1554 5.2933 5.2933 6.1633 6.1633 6.1640 6.1640 8.0844 8.0844 9.2651 9.2651 k = 0.0000 0.0000 0.0349 ( 5383 PWs) bands (ev): -20.4186 -20.4186 -20.2347 -20.2347 -16.8840 -16.8840 -16.8323 -16.8323 -15.7521 -15.7521 -15.7521 -15.7521 -9.6482 -9.6482 -9.0274 -9.0274 -8.2108 -8.2108 -7.3890 -7.3890 -7.3876 -7.3876 -7.3812 -7.3812 -5.8626 -5.8626 -5.8616 -5.8616 -4.3797 -4.3797 -4.3779 -4.3779 -3.9920 -3.9920 -3.5659 -3.5659 -0.9399 -0.9399 -0.9369 -0.9369 -0.8848 -0.8848 -0.4788 -0.4788 -0.4761 -0.4761 0.1544 0.1544 5.2996 5.2996 6.1659 6.1659 6.1666 6.1666 8.0901 8.0901 9.2645 9.2645 k = 0.0000 0.0000 0.0524 ( 5375 PWs) bands (ev): -20.4174 -20.4174 -20.2339 -20.2339 -16.8935 -16.8935 -16.8284 -16.8284 -15.7518 -15.7518 -15.7518 -15.7518 -9.6437 -9.6437 -9.0259 -9.0259 -8.2025 -8.2025 -7.3913 -7.3913 -7.3907 -7.3907 -7.3777 -7.3777 -5.8619 -5.8619 -5.8608 -5.8608 -4.3795 -4.3795 -4.3778 -4.3778 -4.0026 -4.0026 -3.5778 -3.5778 -0.9351 -0.9351 -0.9317 -0.9317 -0.8829 -0.8829 -0.4799 -0.4799 -0.4769 -0.4769 0.1527 0.1527 5.3102 5.3102 6.1701 6.1701 6.1708 6.1708 8.0993 8.0993 9.2637 9.2637 k = 0.0000 0.0000 0.0699 ( 5379 PWs) bands (ev): -20.4158 -20.4158 -20.2329 -20.2329 -16.9049 -16.9049 -16.8249 -16.8249 -15.7514 -15.7514 -15.7514 -15.7514 -9.6375 -9.6375 -9.0237 -9.0237 -8.1907 -8.1907 -7.3953 -7.3953 -7.3950 -7.3950 -7.3721 -7.3721 -5.8608 -5.8608 -5.8598 -5.8598 -4.3794 -4.3794 -4.3776 -4.3776 -4.0174 -4.0174 -3.5945 -3.5945 -0.9285 -0.9285 -0.9246 -0.9246 -0.8804 -0.8804 -0.4814 -0.4814 -0.4779 -0.4779 0.1504 0.1504 5.3248 5.3248 6.1759 6.1759 6.1766 6.1766 8.1119 8.1119 9.2624 9.2624 k = 0.0000 0.0000 0.0874 ( 5375 PWs) bands (ev): -20.4137 -20.4137 -20.2316 -20.2316 -16.9177 -16.9177 -16.8220 -16.8220 -15.7509 -15.7509 -15.7508 -15.7508 -9.6294 -9.6294 -9.0211 -9.0211 -8.1756 -8.1756 -7.4007 -7.4007 -7.4005 -7.4005 -7.3645 -7.3645 -5.8595 -5.8595 -5.8585 -5.8585 -4.3792 -4.3792 -4.3774 -4.3774 -4.0363 -4.0363 -3.6158 -3.6158 -0.9201 -0.9201 -0.9156 -0.9156 -0.8771 -0.8771 -0.4832 -0.4832 -0.4792 -0.4792 0.1475 0.1475 5.3434 5.3434 6.1833 6.1833 6.1840 6.1840 8.1275 8.1275 9.2608 9.2608 k = 0.0000 0.0000 0.1048 ( 5363 PWs) bands (ev): -20.4112 -20.4112 -20.2301 -20.2301 -16.9316 -16.9316 -16.8201 -16.8201 -15.7503 -15.7503 -15.7502 -15.7502 -9.6198 -9.6198 -9.0180 -9.0180 -8.1571 -8.1571 -7.4072 -7.4072 -7.4071 -7.4071 -7.3552 -7.3552 -5.8579 -5.8579 -5.8569 -5.8569 -4.3790 -4.3790 -4.3772 -4.3772 -4.0591 -4.0591 -3.6415 -3.6415 -0.9101 -0.9101 -0.9049 -0.9049 -0.8731 -0.8731 -0.4852 -0.4852 -0.4806 -0.4806 0.1439 0.1439 5.3660 5.3660 6.1922 6.1922 6.1929 6.1929 8.1457 8.1457 9.2589 9.2589 k = 0.0000 0.0000 0.1223 ( 5379 PWs) bands (ev): -20.4083 -20.4083 -20.2282 -20.2282 -16.9465 -16.9465 -16.8190 -16.8190 -15.7496 -15.7496 -15.7495 -15.7495 -9.6086 -9.6086 -9.0147 -9.0147 -8.1353 -8.1353 -7.4148 -7.4148 -7.4147 -7.4147 -7.3441 -7.3441 -5.8560 -5.8560 -5.8550 -5.8550 -4.3789 -4.3789 -4.3770 -4.3770 -4.0858 -4.0858 -3.6716 -3.6716 -0.8986 -0.8986 -0.8926 -0.8926 -0.8684 -0.8684 -0.4873 -0.4873 -0.4820 -0.4820 0.1397 0.1397 5.3923 5.3923 6.2026 6.2026 6.2032 6.2032 8.1657 8.1657 9.2567 9.2567 k = 0.0000 0.0000 0.1398 ( 5371 PWs) bands (ev): -20.4050 -20.4050 -20.2262 -20.2262 -16.9623 -16.9623 -16.8190 -16.8190 -15.7487 -15.7487 -15.7487 -15.7487 -9.5959 -9.5959 -9.0111 -9.0111 -8.1101 -8.1101 -7.4234 -7.4234 -7.4233 -7.4233 -7.3313 -7.3313 -5.8537 -5.8537 -5.8527 -5.8527 -4.3789 -4.3789 -4.3769 -4.3769 -4.1162 -4.1162 -3.7059 -3.7059 -0.8858 -0.8858 -0.8790 -0.8790 -0.8630 -0.8630 -0.4894 -0.4894 -0.4834 -0.4834 0.1349 0.1349 5.4222 5.4222 6.2143 6.2143 6.2149 6.2149 8.1868 8.1868 9.2541 9.2541 k = 0.0000 0.0000 0.1572 ( 5371 PWs) bands (ev): -20.4013 -20.4013 -20.2239 -20.2239 -16.9787 -16.9787 -16.8198 -16.8198 -15.7478 -15.7478 -15.7477 -15.7477 -9.5819 -9.5819 -9.0073 -9.0073 -8.0816 -8.0816 -7.4329 -7.4329 -7.4328 -7.4328 -7.3167 -7.3167 -5.8512 -5.8512 -5.8502 -5.8502 -4.3790 -4.3790 -4.3770 -4.3770 -4.1502 -4.1502 -3.7442 -3.7442 -0.8719 -0.8719 -0.8643 -0.8643 -0.8570 -0.8570 -0.4913 -0.4913 -0.4845 -0.4845 0.1295 0.1295 5.4555 5.4555 6.2272 6.2272 6.2277 6.2277 8.2081 8.2081 9.2513 9.2513 k = 0.0000 0.0000 0.1747 ( 5379 PWs) bands (ev): -20.3973 -20.3973 -20.2214 -20.2214 -16.9958 -16.9958 -16.8216 -16.8216 -15.7468 -15.7468 -15.7468 -15.7468 -9.5666 -9.5666 -9.0035 -9.0035 -8.0498 -8.0498 -7.4432 -7.4432 -7.4432 -7.4432 -7.3004 -7.3004 -5.8483 -5.8483 -5.8473 -5.8473 -4.3792 -4.3792 -4.3771 -4.3771 -4.1874 -4.1874 -3.7863 -3.7863 -0.8572 -0.8572 -0.8509 -0.8509 -0.8482 -0.8482 -0.4929 -0.4929 -0.4852 -0.4852 0.1236 0.1236 5.4920 5.4920 6.2412 6.2412 6.2417 6.2417 8.2282 8.2282 9.2481 9.2481 k = 0.0000 0.0000 0.1922 ( 5379 PWs) bands (ev): -20.3930 -20.3930 -20.2188 -20.2188 -17.0134 -17.0134 -16.8242 -16.8242 -15.7457 -15.7457 -15.7457 -15.7457 -9.5502 -9.5502 -8.9997 -8.9997 -8.0149 -8.0149 -7.4542 -7.4542 -7.4542 -7.4542 -7.2824 -7.2824 -5.8451 -5.8451 -5.8442 -5.8442 -4.3796 -4.3796 -4.3775 -4.3775 -4.2278 -4.2278 -3.8321 -3.8321 -0.8436 -0.8436 -0.8419 -0.8419 -0.8323 -0.8323 -0.4938 -0.4938 -0.4853 -0.4853 0.1171 0.1171 5.5314 5.5314 6.2562 6.2562 6.2567 6.2567 8.2458 8.2458 9.2447 9.2447 k = 0.0000 0.0000 0.2097 ( 5383 PWs) bands (ev): -20.3883 -20.3883 -20.2159 -20.2159 -17.0314 -17.0314 -16.8275 -16.8275 -15.7446 -15.7446 -15.7446 -15.7446 -9.5328 -9.5328 -8.9961 -8.9961 -7.9769 -7.9769 -7.4658 -7.4658 -7.4658 -7.4658 -7.2627 -7.2627 -5.8417 -5.8417 -5.8407 -5.8407 -4.3802 -4.3802 -4.3780 -4.3780 -4.2711 -4.2711 -3.8812 -3.8812 -0.8358 -0.8358 -0.8267 -0.8267 -0.8160 -0.8160 -0.4940 -0.4940 -0.4845 -0.4845 0.1101 0.1101 5.5737 5.5737 6.2720 6.2720 6.2725 6.2725 8.2592 8.2592 9.2417 9.2418 k = 0.0000 0.0000 0.2271 ( 5383 PWs) bands (ev): -20.3834 -20.3834 -20.2130 -20.2130 -17.0497 -17.0497 -16.8316 -16.8316 -15.7434 -15.7434 -15.7434 -15.7434 -9.5146 -9.5146 -8.9926 -8.9926 -7.9359 -7.9359 -7.4780 -7.4780 -7.4779 -7.4779 -7.2413 -7.2413 -5.8379 -5.8379 -5.8369 -5.8369 -4.3810 -4.3810 -4.3788 -4.3788 -4.3171 -4.3171 -3.9334 -3.9334 -0.8276 -0.8276 -0.8116 -0.8116 -0.7998 -0.7998 -0.4930 -0.4930 -0.4826 -0.4826 0.1027 0.1027 5.6184 5.6184 6.2886 6.2886 6.2890 6.2890 8.2666 8.2666 9.1968 9.1968 k = 0.0000 0.0000 0.2446 ( 5375 PWs) bands (ev): -20.3783 -20.3783 -20.2099 -20.2099 -17.0681 -17.0681 -16.8363 -16.8363 -15.7422 -15.7422 -15.7421 -15.7421 -9.4957 -9.4957 -8.9893 -8.9893 -7.8920 -7.8920 -7.4905 -7.4905 -7.4904 -7.4904 -7.2183 -7.2183 -5.8339 -5.8339 -5.8329 -5.8329 -4.3820 -4.3820 -4.3800 -4.3800 -4.3651 -4.3651 -3.9885 -3.9885 -0.8189 -0.8189 -0.7971 -0.7971 -0.7844 -0.7844 -0.4906 -0.4906 -0.4793 -0.4793 0.0949 0.0949 5.6655 5.6655 6.3057 6.3057 6.3061 6.3061 8.2663 8.2663 9.1553 9.1553 k = 0.0000 0.0000 0.2621 ( 5395 PWs) bands (ev): -20.3731 -20.3731 -20.2068 -20.2068 -17.0866 -17.0866 -16.8416 -16.8416 -15.7409 -15.7409 -15.7409 -15.7409 -9.4763 -9.4763 -8.9863 -8.9863 -7.8456 -7.8456 -7.5033 -7.5033 -7.5032 -7.5032 -7.1938 -7.1938 -5.8296 -5.8296 -5.8287 -5.8287 -4.4161 -4.4161 -4.3833 -4.3833 -4.3807 -4.3807 -4.0462 -4.0462 -0.8099 -0.8099 -0.7836 -0.7836 -0.7700 -0.7700 -0.4865 -0.4865 -0.4743 -0.4743 0.0866 0.0866 5.7145 5.7145 6.3232 6.3232 6.3235 6.3235 8.2571 8.2571 9.1179 9.1179 k = 0.0000 0.0000 0.2795 ( 5395 PWs) bands (ev): -20.3676 -20.3676 -20.2036 -20.2036 -17.1050 -17.1050 -16.8474 -16.8474 -15.7396 -15.7396 -15.7396 -15.7396 -9.4565 -9.4565 -8.9837 -8.9837 -7.7966 -7.7966 -7.5163 -7.5163 -7.5162 -7.5162 -7.1678 -7.1678 -5.8251 -5.8251 -5.8242 -5.8242 -4.4682 -4.4682 -4.3848 -4.3848 -4.3822 -4.3822 -4.1061 -4.1061 -0.8005 -0.8005 -0.7715 -0.7715 -0.7572 -0.7572 -0.4803 -0.4803 -0.4675 -0.4675 0.0780 0.0780 5.7653 5.7653 6.3410 6.3410 6.3413 6.3413 8.2381 8.2381 9.0846 9.0846 k = 0.0000 0.0000 0.2970 ( 5395 PWs) bands (ev): -20.3621 -20.3621 -20.2004 -20.2004 -17.1232 -17.1232 -16.8535 -16.8535 -15.7383 -15.7383 -15.7383 -15.7383 -9.4365 -9.4365 -8.9813 -8.9813 -7.7454 -7.7454 -7.5293 -7.5293 -7.5292 -7.5292 -7.1405 -7.1405 -5.8205 -5.8205 -5.8196 -5.8196 -4.5218 -4.5218 -4.3865 -4.3865 -4.3839 -4.3839 -4.1681 -4.1681 -0.7909 -0.7909 -0.7611 -0.7611 -0.7462 -0.7462 -0.4719 -0.4719 -0.4587 -0.4587 0.0692 0.0692 5.8175 5.8175 6.3589 6.3589 6.3591 6.3591 8.2095 8.2095 9.0547 9.0547 k = 0.0000 0.0000 0.3145 ( 5395 PWs) bands (ev): -20.3566 -20.3566 -20.1971 -20.1971 -17.1411 -17.1411 -16.8599 -16.8599 -15.7370 -15.7370 -15.7370 -15.7370 -9.4164 -9.4164 -8.9793 -8.9793 -7.6921 -7.6921 -7.5423 -7.5423 -7.5422 -7.5422 -7.1120 -7.1120 -5.8157 -5.8157 -5.8148 -5.8148 -4.5765 -4.5765 -4.3885 -4.3885 -4.3857 -4.3857 -4.2317 -4.2317 -0.7810 -0.7810 -0.7524 -0.7524 -0.7372 -0.7372 -0.4614 -0.4614 -0.4480 -0.4480 0.0601 0.0601 5.8710 5.8710 6.3767 6.3767 6.3769 6.3769 8.1722 8.1722 9.0272 9.0272 k = 0.0000 0.0000 0.3320 ( 5363 PWs) bands (ev): -20.3510 -20.3510 -20.1939 -20.1939 -17.1586 -17.1586 -16.8664 -16.8664 -15.7357 -15.7357 -15.7356 -15.7356 -9.3965 -9.3965 -8.9777 -8.9777 -7.6371 -7.6371 -7.5550 -7.5550 -7.5549 -7.5549 -7.0825 -7.0825 -5.8108 -5.8108 -5.8099 -5.8099 -4.6318 -4.6318 -4.3907 -4.3907 -4.3878 -4.3878 -4.2966 -4.2966 -0.7709 -0.7709 -0.7455 -0.7455 -0.7303 -0.7303 -0.4487 -0.4487 -0.4354 -0.4354 0.0510 0.0510 5.9254 5.9254 6.3943 6.3943 6.3945 6.3945 8.1274 8.1274 9.0011 9.0011 k = 0.0000 0.0000 0.3494 ( 5375 PWs) bands (ev): -20.3455 -20.3455 -20.1908 -20.1908 -17.1756 -17.1756 -16.8731 -16.8731 -15.7344 -15.7344 -15.7344 -15.7344 -9.3768 -9.3768 -8.9764 -8.9764 -7.5809 -7.5809 -7.5675 -7.5675 -7.5671 -7.5671 -7.0524 -7.0524 -5.8059 -5.8059 -5.8050 -5.8050 -4.6872 -4.6872 -4.3933 -4.3933 -4.3900 -4.3900 -4.3621 -4.3621 -0.7609 -0.7609 -0.7403 -0.7403 -0.7254 -0.7254 -0.4343 -0.4343 -0.4213 -0.4213 0.0417 0.0417 5.9804 5.9804 6.4116 6.4116 6.4117 6.4117 8.0769 8.0769 8.9758 8.9758 k = 0.0000 0.0000 0.3669 ( 5383 PWs) bands (ev): -20.3401 -20.3401 -20.1877 -20.1877 -17.1920 -17.1920 -16.8798 -16.8798 -15.7332 -15.7332 -15.7331 -15.7331 -9.3575 -9.3575 -8.9756 -8.9756 -7.5798 -7.5798 -7.5797 -7.5797 -7.5228 -7.5228 -7.0218 -7.0218 -5.8010 -5.8010 -5.8002 -5.8002 -4.7424 -4.7424 -4.4297 -4.4297 -4.3947 -4.3947 -4.3923 -4.3923 -0.7508 -0.7508 -0.7367 -0.7367 -0.7221 -0.7221 -0.4185 -0.4185 -0.4060 -0.4060 0.0323 0.0323 6.0358 6.0358 6.4283 6.4283 6.4284 6.4284 8.0222 8.0222 8.9510 8.9510 k = 0.0000 0.0000 0.3844 ( 5388 PWs) bands (ev): -20.3348 -20.3348 -20.1848 -20.1848 -17.2076 -17.2076 -16.8864 -16.8864 -15.7320 -15.7320 -15.7319 -15.7319 -9.3388 -9.3388 -8.9751 -8.9751 -7.5914 -7.5914 -7.5913 -7.5913 -7.4644 -7.4644 -6.9912 -6.9912 -5.7961 -5.7961 -5.7953 -5.7953 -4.7966 -4.7966 -4.4960 -4.4960 -4.3975 -4.3975 -4.3948 -4.3948 -0.7409 -0.7409 -0.7344 -0.7344 -0.7203 -0.7203 -0.4018 -0.4018 -0.3899 -0.3899 0.0231 0.0231 6.0911 6.0911 6.4444 6.4444 6.4445 6.4445 7.9647 7.9647 8.9268 8.9268 k = 0.0000 0.0000 0.4018 ( 5388 PWs) bands (ev): -20.3298 -20.3298 -20.1820 -20.1820 -17.2224 -17.2224 -16.8928 -16.8928 -15.7308 -15.7308 -15.7308 -15.7308 -9.3208 -9.3208 -8.9749 -8.9749 -7.6025 -7.6025 -7.6024 -7.6024 -7.4055 -7.4055 -6.9611 -6.9611 -5.7913 -5.7913 -5.7906 -5.7906 -4.8494 -4.8494 -4.5624 -4.5624 -4.4001 -4.4001 -4.3973 -4.3973 -0.7332 -0.7332 -0.7311 -0.7311 -0.7196 -0.7196 -0.3847 -0.3847 -0.3734 -0.3734 0.0141 0.0141 6.1462 6.1462 6.4597 6.4597 6.4599 6.4599 7.9058 7.9058 8.9033 8.9033 k = 0.0000 0.0000 0.4193 ( 5376 PWs) bands (ev): -20.3249 -20.3249 -20.1793 -20.1793 -17.2362 -17.2362 -16.8990 -16.8990 -15.7298 -15.7298 -15.7297 -15.7297 -9.3037 -9.3037 -8.9751 -8.9751 -7.6129 -7.6129 -7.6128 -7.6128 -7.3466 -7.3466 -6.9319 -6.9319 -5.7867 -5.7867 -5.7860 -5.7860 -4.8999 -4.8999 -4.6280 -4.6280 -4.4027 -4.4027 -4.3998 -4.3998 -0.7327 -0.7327 -0.7220 -0.7220 -0.7194 -0.7194 -0.3676 -0.3676 -0.3569 -0.3569 0.0053 0.0053 6.2005 6.2005 6.4741 6.4741 6.4743 6.4743 7.8465 7.8465 8.8809 8.8809 k = 0.0000 0.0000 0.4368 ( 5392 PWs) bands (ev): -20.3204 -20.3204 -20.1769 -20.1769 -17.2490 -17.2490 -16.9049 -16.9049 -15.7288 -15.7288 -15.7287 -15.7287 -9.2877 -9.2877 -8.9755 -8.9755 -7.6226 -7.6226 -7.6225 -7.6225 -7.2881 -7.2881 -6.9043 -6.9043 -5.7824 -5.7824 -5.7817 -5.7817 -4.9476 -4.9476 -4.6925 -4.6925 -4.4052 -4.4052 -4.4022 -4.4022 -0.7329 -0.7329 -0.7206 -0.7206 -0.7125 -0.7125 -0.3510 -0.3510 -0.3409 -0.3409 -0.0031 -0.0031 6.2537 6.2537 6.4875 6.4875 6.4877 6.4877 7.7879 7.7879 8.8600 8.8600 k = 0.0000 0.0000 0.4543 ( 5392 PWs) bands (ev): -20.3162 -20.3162 -20.1746 -20.1746 -17.2608 -17.2608 -16.9103 -16.9103 -15.7278 -15.7278 -15.7278 -15.7278 -9.2727 -9.2727 -8.9762 -8.9762 -7.6315 -7.6315 -7.6314 -7.6314 -7.2307 -7.2307 -6.8789 -6.8789 -5.7783 -5.7783 -5.7776 -5.7776 -4.9915 -4.9915 -4.7551 -4.7551 -4.4076 -4.4076 -4.4046 -4.4046 -0.7335 -0.7335 -0.7217 -0.7217 -0.7041 -0.7041 -0.3351 -0.3351 -0.3257 -0.3257 -0.0110 -0.0110 6.3053 6.3053 6.4998 6.4998 6.5000 6.5000 7.7308 7.7308 8.8407 8.8407 k = 0.0000 0.0000 0.4717 ( 5384 PWs) bands (ev): -20.3123 -20.3123 -20.1726 -20.1726 -17.2713 -17.2713 -16.9153 -16.9153 -15.7270 -15.7270 -15.7269 -15.7269 -9.2591 -9.2591 -8.9771 -8.9771 -7.6395 -7.6395 -7.6394 -7.6394 -7.1749 -7.1749 -6.8566 -6.8566 -5.7746 -5.7746 -5.7739 -5.7739 -5.0307 -5.0307 -4.8152 -4.8152 -4.4098 -4.4098 -4.4068 -4.4068 -0.7344 -0.7344 -0.7230 -0.7230 -0.6962 -0.6962 -0.3204 -0.3204 -0.3115 -0.3115 -0.0184 -0.0184 6.3546 6.3546 6.5108 6.5108 6.5110 6.5110 7.6762 7.6762 8.8233 8.8233 k = 0.0000 0.0000 0.4892 ( 5384 PWs) bands (ev): -20.3089 -20.3089 -20.1708 -20.1708 -17.2806 -17.2806 -16.9197 -16.9197 -15.7262 -15.7262 -15.7262 -15.7262 -9.2468 -9.2468 -8.9781 -8.9781 -7.6466 -7.6466 -7.6465 -7.6465 -7.1214 -7.1214 -6.8380 -6.8380 -5.7712 -5.7712 -5.7706 -5.7706 -5.0644 -5.0644 -4.8722 -4.8722 -4.4119 -4.4119 -4.4089 -4.4089 -0.7354 -0.7354 -0.7244 -0.7244 -0.6891 -0.6891 -0.3071 -0.3071 -0.2987 -0.2987 -0.0250 -0.0250 6.4009 6.4009 6.5206 6.5206 6.5208 6.5208 7.6250 7.6250 8.8080 8.8080 k = 0.0000 0.0000 0.5067 ( 5376 PWs) bands (ev): -20.3059 -20.3059 -20.1692 -20.1692 -17.2885 -17.2885 -16.9235 -16.9235 -15.7256 -15.7256 -15.7255 -15.7255 -9.2362 -9.2362 -8.9791 -8.9791 -7.6526 -7.6526 -7.6525 -7.6525 -7.0710 -7.0710 -6.8239 -6.8239 -5.7683 -5.7683 -5.7677 -5.7677 -5.0917 -5.0917 -4.9254 -4.9254 -4.4137 -4.4137 -4.4107 -4.4107 -0.7364 -0.7364 -0.7257 -0.7257 -0.6829 -0.6829 -0.2955 -0.2955 -0.2875 -0.2875 -0.0309 -0.0309 6.4433 6.4433 6.5290 6.5290 6.5292 6.5292 7.5782 7.5782 8.7949 8.7949 k = 0.0000 0.0000 0.5241 ( 5372 PWs) bands (ev): -20.3035 -20.3035 -20.1680 -20.1680 -17.2951 -17.2951 -16.9267 -16.9267 -15.7251 -15.7251 -15.7250 -15.7250 -9.2272 -9.2272 -8.9801 -8.9801 -7.6577 -7.6577 -7.6575 -7.6575 -7.0247 -7.0247 -6.8148 -6.8148 -5.7658 -5.7658 -5.7653 -5.7653 -5.1118 -5.1118 -4.9739 -4.9739 -4.4153 -4.4153 -4.4122 -4.4122 -0.7373 -0.7373 -0.7269 -0.7269 -0.6776 -0.6776 -0.2857 -0.2857 -0.2780 -0.2780 -0.0358 -0.0358 6.4808 6.4808 6.5359 6.5359 6.5361 6.5361 7.5371 7.5371 8.7841 8.7841 k = 0.0000 0.0000 0.5416 ( 5380 PWs) bands (ev): -20.3015 -20.3015 -20.1670 -20.1670 -17.3003 -17.3003 -16.9293 -16.9293 -15.7246 -15.7246 -15.7246 -15.7246 -9.2201 -9.2201 -8.9810 -8.9810 -7.6616 -7.6616 -7.6615 -7.6615 -6.9837 -6.9837 -6.8110 -6.8110 -5.7639 -5.7639 -5.7633 -5.7633 -5.1239 -5.1239 -5.0169 -5.0169 -4.4165 -4.4165 -4.4134 -4.4134 -0.7381 -0.7381 -0.7279 -0.7279 -0.6734 -0.6734 -0.2779 -0.2779 -0.2705 -0.2705 -0.0397 -0.0397 6.5121 6.5121 6.5414 6.5414 6.5416 6.5416 7.5029 7.5029 8.7756 8.7756 k = 0.0000 0.0000 0.5591 ( 5404 PWs) bands (ev): -20.3001 -20.3001 -20.1662 -20.1662 -17.3040 -17.3040 -16.9311 -16.9311 -15.7243 -15.7243 -15.7243 -15.7243 -9.2150 -9.2150 -8.9818 -8.9818 -7.6645 -7.6645 -7.6643 -7.6643 -6.9499 -6.9499 -6.8118 -6.8118 -5.7625 -5.7625 -5.7619 -5.7619 -5.1279 -5.1279 -5.0533 -5.0533 -4.4174 -4.4174 -4.4143 -4.4143 -0.7387 -0.7387 -0.7287 -0.7287 -0.6704 -0.6704 -0.2723 -0.2723 -0.2651 -0.2651 -0.0426 -0.0426 6.5356 6.5356 6.5454 6.5454 6.5455 6.5455 7.4771 7.4771 8.7695 8.7695 k = 0.0000 0.0000 0.5766 ( 5380 PWs) bands (ev): -20.2993 -20.2993 -20.1658 -20.1658 -17.3062 -17.3062 -16.9322 -16.9322 -15.7242 -15.7242 -15.7241 -15.7241 -9.2118 -9.2118 -8.9822 -8.9822 -7.6661 -7.6661 -7.6660 -7.6660 -6.9263 -6.9263 -6.8151 -6.8151 -5.7616 -5.7616 -5.7611 -5.7611 -5.1242 -5.1242 -5.0817 -5.0817 -4.4180 -4.4180 -4.4149 -4.4149 -0.7391 -0.7391 -0.7291 -0.7291 -0.6685 -0.6685 -0.2688 -0.2688 -0.2618 -0.2618 -0.0444 -0.0444 6.5469 6.5469 6.5478 6.5478 6.5514 6.5514 7.4610 7.4610 8.7658 8.7658 k = 0.0000 0.0000 0.5940 ( 5364 PWs) bands (ev): -20.2990 -20.2990 -20.1657 -20.1657 -17.3070 -17.3070 -16.9326 -16.9326 -15.7241 -15.7241 -15.7240 -15.7240 -9.2107 -9.2107 -8.9824 -8.9824 -7.6667 -7.6667 -7.6666 -7.6666 -6.9175 -6.9175 -6.8171 -6.8171 -5.7613 -5.7613 -5.7608 -5.7608 -5.1183 -5.1183 -5.0959 -5.0959 -4.4182 -4.4182 -4.4150 -4.4150 -0.7392 -0.7392 -0.7293 -0.7293 -0.6679 -0.6679 -0.2677 -0.2677 -0.2607 -0.2607 -0.0449 -0.0449 6.5480 6.5480 6.5486 6.5486 6.5561 6.5561 7.4555 7.4555 8.7646 8.7646 k = 0.0000 0.0000 0.5940 ( 5364 PWs) bands (ev): -20.2990 -20.2990 -20.1657 -20.1657 -17.3070 -17.3070 -16.9326 -16.9326 -15.7241 -15.7241 -15.7240 -15.7240 -9.2107 -9.2107 -8.9824 -8.9824 -7.6667 -7.6667 -7.6666 -7.6666 -6.9175 -6.9175 -6.8171 -6.8171 -5.7613 -5.7613 -5.7608 -5.7608 -5.1183 -5.1183 -5.0959 -5.0959 -4.4182 -4.4182 -4.4150 -4.4150 -0.7392 -0.7392 -0.7293 -0.7293 -0.6679 -0.6679 -0.2677 -0.2677 -0.2607 -0.2607 -0.0449 -0.0449 6.5480 6.5480 6.5486 6.5486 6.5561 6.5561 7.4555 7.4555 8.7646 8.7646 k = 0.0000 0.0172 0.5940 ( 5372 PWs) bands (ev): -20.2989 -20.2989 -20.1658 -20.1658 -17.3068 -17.3067 -16.9329 -16.9329 -15.7240 -15.7240 -15.7240 -15.7240 -9.2106 -9.2106 -8.9826 -8.9826 -7.6667 -7.6667 -7.6666 -7.6666 -6.9176 -6.9176 -6.8174 -6.8174 -5.7618 -5.7617 -5.7610 -5.7610 -5.1179 -5.1175 -5.0947 -5.0945 -4.4184 -4.4184 -4.4153 -4.4152 -0.7403 -0.7403 -0.7307 -0.7303 -0.6659 -0.6654 -0.2679 -0.2678 -0.2609 -0.2607 -0.0448 -0.0446 6.5395 6.5416 6.5476 6.5477 6.5640 6.5661 7.4569 7.4571 8.7658 8.7659 k = 0.0000 0.0345 0.5940 ( 5388 PWs) bands (ev): -20.2986 -20.2986 -20.1661 -20.1661 -17.3060 -17.3060 -16.9339 -16.9339 -15.7239 -15.7239 -15.7239 -15.7239 -9.2103 -9.2103 -8.9832 -8.9832 -7.6668 -7.6668 -7.6667 -7.6666 -6.9180 -6.9179 -6.8182 -6.8180 -5.7634 -5.7632 -5.7617 -5.7613 -5.1163 -5.1156 -5.0910 -5.0906 -4.4192 -4.4191 -4.4160 -4.4156 -0.7440 -0.7439 -0.7336 -0.7330 -0.6600 -0.6592 -0.2684 -0.2682 -0.2612 -0.2610 -0.0441 -0.0438 6.5300 6.5322 6.5451 6.5453 6.5775 6.5796 7.4613 7.4617 8.7696 8.7697 k = 0.0000 0.0517 0.5940 ( 5396 PWs) bands (ev): -20.2981 -20.2981 -20.1666 -20.1665 -17.3048 -17.3048 -16.9355 -16.9354 -15.7237 -15.7237 -15.7236 -15.7236 -9.2098 -9.2098 -8.9843 -8.9843 -7.6669 -7.6669 -7.6668 -7.6667 -6.9185 -6.9185 -6.8194 -6.8192 -5.7661 -5.7656 -5.7626 -5.7618 -5.1136 -5.1125 -5.0849 -5.0843 -4.4207 -4.4206 -4.4168 -4.4163 -0.7501 -0.7499 -0.7369 -0.7363 -0.6515 -0.6504 -0.2693 -0.2692 -0.2616 -0.2614 -0.0430 -0.0426 6.5214 6.5235 6.5411 6.5414 6.5928 6.5949 7.4686 7.4692 8.7757 8.7758 k = 0.0000 0.0690 0.5940 ( 5392 PWs) bands (ev): -20.2974 -20.2974 -20.1672 -20.1672 -17.3031 -17.3031 -16.9377 -16.9377 -15.7235 -15.7235 -15.7233 -15.7233 -9.2091 -9.2090 -8.9858 -8.9857 -7.6671 -7.6671 -7.6669 -7.6668 -6.9193 -6.9193 -6.8211 -6.8207 -5.7696 -5.7690 -5.7637 -5.7626 -5.1097 -5.1082 -5.0764 -5.0757 -4.4229 -4.4228 -4.4177 -4.4170 -0.7578 -0.7574 -0.7405 -0.7400 -0.6411 -0.6398 -0.2709 -0.2708 -0.2617 -0.2617 -0.0415 -0.0409 6.5136 6.5157 6.5358 6.5361 6.6099 6.6119 7.4786 7.4793 8.7840 8.7843 k = 0.0000 0.0862 0.5940 ( 5404 PWs) bands (ev): -20.2966 -20.2966 -20.1681 -20.1681 -17.3010 -17.3010 -16.9405 -16.9405 -15.7232 -15.7231 -15.7229 -15.7229 -9.2081 -9.2080 -8.9877 -8.9876 -7.6674 -7.6673 -7.6670 -7.6669 -6.9203 -6.9203 -6.8232 -6.8228 -5.7740 -5.7731 -5.7651 -5.7636 -5.1047 -5.1029 -5.0657 -5.0649 -4.4261 -4.4259 -4.4187 -4.4178 -0.7664 -0.7659 -0.7448 -0.7443 -0.6295 -0.6281 -0.2733 -0.2730 -0.2616 -0.2615 -0.0396 -0.0389 6.5066 6.5086 6.5292 6.5296 6.6288 6.6308 7.4910 7.4919 8.7944 8.7946 k = 0.0000 0.1034 0.5940 ( 5404 PWs) bands (ev): -20.2955 -20.2955 -20.1692 -20.1692 -17.2983 -17.2983 -16.9439 -16.9439 -15.7228 -15.7228 -15.7224 -15.7223 -9.2069 -9.2068 -8.9900 -8.9899 -7.6677 -7.6676 -7.6671 -7.6670 -6.9215 -6.9214 -6.8257 -6.8252 -5.7789 -5.7779 -5.7666 -5.7649 -5.0985 -5.0964 -5.0531 -5.0522 -4.4299 -4.4297 -4.4197 -4.4187 -0.7754 -0.7749 -0.7497 -0.7493 -0.6170 -0.6155 -0.2762 -0.2757 -0.2613 -0.2609 -0.0375 -0.0367 6.5003 6.5022 6.5215 6.5221 6.6498 6.6517 7.5057 7.5068 8.8062 8.8065 k = 0.0000 0.1207 0.5940 ( 5398 PWs) bands (ev): -20.2943 -20.2943 -20.1704 -20.1704 -17.2952 -17.2952 -16.9479 -16.9479 -15.7223 -15.7223 -15.7218 -15.7218 -9.2054 -9.2053 -8.9926 -8.9925 -7.6680 -7.6679 -7.6673 -7.6671 -6.9228 -6.9227 -6.8286 -6.8281 -5.7843 -5.7832 -5.7685 -5.7666 -5.0912 -5.0888 -5.0388 -5.0377 -4.4345 -4.4342 -4.4210 -4.4198 -0.7846 -0.7841 -0.7554 -0.7549 -0.6038 -0.6022 -0.2796 -0.2789 -0.2606 -0.2600 -0.0352 -0.0343 6.4944 6.4963 6.5131 6.5137 6.6727 6.6745 7.5224 7.5236 8.8188 8.8192 k = 0.0000 0.1379 0.5940 ( 5394 PWs) bands (ev): -20.2929 -20.2929 -20.1719 -20.1719 -17.2917 -17.2917 -16.9525 -16.9525 -15.7218 -15.7218 -15.7211 -15.7211 -9.2038 -9.2036 -8.9957 -8.9956 -7.6684 -7.6683 -7.6675 -7.6673 -6.9242 -6.9242 -6.8319 -6.8313 -5.7900 -5.7888 -5.7706 -5.7684 -5.0829 -5.0802 -5.0229 -5.0218 -4.4397 -4.4394 -4.4224 -4.4210 -0.7939 -0.7934 -0.7617 -0.7612 -0.5901 -0.5883 -0.2834 -0.2826 -0.2596 -0.2588 -0.0329 -0.0319 6.4890 6.4908 6.5041 6.5047 6.6976 6.6994 7.5406 7.5419 8.8310 8.8315 k = 0.0000 0.1552 0.5940 ( 5394 PWs) bands (ev): -20.2913 -20.2913 -20.1735 -20.1735 -17.2877 -17.2877 -16.9576 -16.9576 -15.7212 -15.7212 -15.7204 -15.7204 -9.2019 -9.2017 -8.9991 -8.9990 -7.6688 -7.6687 -7.6677 -7.6675 -6.9257 -6.9257 -6.8356 -6.8349 -5.7959 -5.7946 -5.7729 -5.7706 -5.0735 -5.0706 -5.0057 -5.0045 -4.4456 -4.4452 -4.4240 -4.4225 -0.8033 -0.8027 -0.7687 -0.7681 -0.5759 -0.5741 -0.2874 -0.2864 -0.2583 -0.2573 -0.0306 -0.0295 6.4840 6.4856 6.4947 6.4953 6.7246 6.7263 7.5601 7.5615 8.8407 8.8412 k = 0.0000 0.1724 0.5940 ( 5402 PWs) bands (ev): -20.2895 -20.2895 -20.1753 -20.1753 -17.2833 -17.2832 -16.9633 -16.9633 -15.7206 -15.7206 -15.7197 -15.7196 -9.1998 -9.1996 -9.0029 -9.0028 -7.6692 -7.6691 -7.6679 -7.6677 -6.9273 -6.9272 -6.8395 -6.8388 -5.8018 -5.8005 -5.7755 -5.7730 -5.0632 -5.0601 -4.9874 -4.9863 -4.4521 -4.4516 -4.4258 -4.4242 -0.8126 -0.8120 -0.7762 -0.7757 -0.5615 -0.5595 -0.2916 -0.2905 -0.2566 -0.2554 -0.0284 -0.0272 6.4792 6.4807 6.4851 6.4858 6.7537 6.7552 7.5806 7.5821 8.8450 8.8455 k = 0.0000 0.1897 0.5940 ( 5396 PWs) bands (ev): -20.2876 -20.2876 -20.1772 -20.1772 -17.2784 -17.2783 -16.9695 -16.9694 -15.7200 -15.7199 -15.7189 -15.7188 -9.1974 -9.1972 -9.0071 -9.0069 -7.6696 -7.6695 -7.6681 -7.6679 -6.9289 -6.9288 -6.8437 -6.8430 -5.8076 -5.8064 -5.7782 -5.7757 -5.0519 -5.0487 -4.9684 -4.9672 -4.4591 -4.4586 -4.4279 -4.4262 -0.8218 -0.8213 -0.7843 -0.7837 -0.5468 -0.5447 -0.2960 -0.2948 -0.2544 -0.2531 -0.0265 -0.0252 6.4744 6.4757 6.4760 6.4763 6.7849 6.7863 7.6015 7.6031 8.8413 8.8418 k = 0.0000 0.2069 0.5940 ( 5392 PWs) bands (ev): -20.2855 -20.2855 -20.1793 -20.1793 -17.2731 -17.2730 -16.9761 -16.9760 -15.7193 -15.7192 -15.7181 -15.7180 -9.1947 -9.1946 -9.0115 -9.0114 -7.6701 -7.6700 -7.6684 -7.6681 -6.9305 -6.9304 -6.8482 -6.8474 -5.8133 -5.8120 -5.7812 -5.7786 -5.0398 -5.0364 -4.9487 -4.9475 -4.4667 -4.4660 -4.4303 -4.4284 -0.8309 -0.8304 -0.7927 -0.7922 -0.5321 -0.5299 -0.3004 -0.2991 -0.2517 -0.2502 -0.0249 -0.0236 6.4661 6.4668 6.4702 6.4715 6.8180 6.8193 7.6226 7.6243 8.8294 8.8297 k = 0.0000 0.2241 0.5940 ( 5394 PWs) bands (ev): -20.2832 -20.2832 -20.1816 -20.1816 -17.2673 -17.2673 -16.9832 -16.9831 -15.7185 -15.7185 -15.7173 -15.7172 -9.1919 -9.1917 -9.0163 -9.0161 -7.6705 -7.6704 -7.6687 -7.6684 -6.9321 -6.9319 -6.8529 -6.8520 -5.8186 -5.8174 -5.7845 -5.7818 -5.0269 -5.0234 -4.9286 -4.9275 -4.4747 -4.4740 -4.4331 -4.4310 -0.8398 -0.8393 -0.8016 -0.8010 -0.5175 -0.5151 -0.3048 -0.3034 -0.2485 -0.2468 -0.0237 -0.0223 6.4571 6.4578 6.4659 6.4670 6.8531 6.8543 7.6434 7.6451 8.8112 8.8114 k = 0.0000 0.2414 0.5940 ( 5398 PWs) bands (ev): -20.2808 -20.2808 -20.1840 -20.1840 -17.2612 -17.2612 -16.9907 -16.9906 -15.7178 -15.7177 -15.7164 -15.7164 -9.1888 -9.1886 -9.0213 -9.0211 -7.6710 -7.6709 -7.6690 -7.6687 -6.9335 -6.9333 -6.8577 -6.8568 -5.8236 -5.8225 -5.7878 -5.7852 -5.0133 -5.0097 -4.9084 -4.9074 -4.4831 -4.4823 -4.4361 -4.4339 -0.8485 -0.8480 -0.8107 -0.8101 -0.5030 -0.5006 -0.3093 -0.3078 -0.2447 -0.2428 -0.0230 -0.0216 6.4485 6.4491 6.4616 6.4627 6.8901 6.8912 7.6635 7.6652 8.7892 8.7892 k = 0.0000 0.2586 0.5940 ( 5390 PWs) bands (ev): -20.2783 -20.2783 -20.1866 -20.1866 -17.2547 -17.2547 -16.9986 -16.9985 -15.7171 -15.7170 -15.7156 -15.7155 -9.1854 -9.1852 -9.0266 -9.0264 -7.6714 -7.6713 -7.6693 -7.6690 -6.9349 -6.9346 -6.8627 -6.8617 -5.8282 -5.8271 -5.7914 -5.7887 -4.9989 -4.9953 -4.8882 -4.8874 -4.4918 -4.4909 -4.4395 -4.4372 -0.8569 -0.8564 -0.8199 -0.8193 -0.4890 -0.4864 -0.3136 -0.3121 -0.2401 -0.2381 -0.0228 -0.0214 6.4404 6.4411 6.4574 6.4583 6.9288 6.9298 7.6824 7.6841 8.7651 8.7652 k = 0.0000 0.2759 0.5940 ( 5392 PWs) bands (ev): -20.2756 -20.2756 -20.1893 -20.1893 -17.2478 -17.2478 -17.0068 -17.0068 -15.7163 -15.7162 -15.7148 -15.7147 -9.1818 -9.1816 -9.0321 -9.0319 -7.6719 -7.6717 -7.6697 -7.6694 -6.9360 -6.9357 -6.8677 -6.8668 -5.8324 -5.8313 -5.7951 -5.7924 -4.9841 -4.9803 -4.8683 -4.8677 -4.5008 -4.4997 -4.4433 -4.4409 -0.8650 -0.8645 -0.8292 -0.8286 -0.4754 -0.4726 -0.3180 -0.3163 -0.2347 -0.2325 -0.0234 -0.0218 6.4330 6.4336 6.4532 6.4541 6.9693 6.9702 7.6995 7.7012 8.7403 8.7405 k = 0.0000 0.2931 0.5940 ( 5390 PWs) bands (ev): -20.2728 -20.2728 -20.1921 -20.1921 -17.2406 -17.2405 -17.0154 -17.0154 -15.7156 -15.7155 -15.7140 -15.7140 -9.1779 -9.1777 -9.0379 -9.0377 -7.6723 -7.6721 -7.6700 -7.6697 -6.9370 -6.9367 -6.8728 -6.8718 -5.8360 -5.8351 -5.7988 -5.7963 -4.9687 -4.9650 -4.8491 -4.8486 -4.5098 -4.5085 -4.4475 -4.4450 -0.8727 -0.8722 -0.8385 -0.8378 -0.4624 -0.4596 -0.3222 -0.3205 -0.2285 -0.2261 -0.0246 -0.0230 6.4263 6.4269 6.4490 6.4498 7.0112 7.0120 7.7143 7.7160 8.7157 8.7160 k = 0.0000 0.3103 0.5940 ( 5378 PWs) bands (ev): -20.2699 -20.2699 -20.1951 -20.1950 -17.2330 -17.2330 -17.0243 -17.0242 -15.7148 -15.7147 -15.7133 -15.7132 -9.1738 -9.1736 -9.0438 -9.0436 -7.6727 -7.6725 -7.6704 -7.6701 -6.9378 -6.9374 -6.8779 -6.8769 -5.8391 -5.8383 -5.8027 -5.8002 -4.9529 -4.9492 -4.8306 -4.8304 -4.5187 -4.5172 -4.4522 -4.4496 -0.8800 -0.8795 -0.8476 -0.8470 -0.4502 -0.4473 -0.3264 -0.3246 -0.2213 -0.2189 -0.0265 -0.0249 6.4204 6.4209 6.4449 6.4456 7.0546 7.0553 7.7262 7.7278 8.6921 8.6924 k = 0.0000 0.3276 0.5940 ( 5370 PWs) bands (ev): -20.2669 -20.2668 -20.1981 -20.1981 -17.2251 -17.2250 -17.0334 -17.0334 -15.7141 -15.7140 -15.7126 -15.7125 -9.1695 -9.1692 -9.0499 -9.0497 -7.6730 -7.6728 -7.6708 -7.6704 -6.9382 -6.9378 -6.8830 -6.8820 -5.8417 -5.8410 -5.8066 -5.8042 -4.9368 -4.9331 -4.8134 -4.8133 -4.5273 -4.5256 -4.4573 -4.4546 -0.8867 -0.8862 -0.8565 -0.8558 -0.4389 -0.4359 -0.3304 -0.3286 -0.2132 -0.2107 -0.0293 -0.0276 6.4152 6.4158 6.4407 6.4414 7.0991 7.0998 7.7347 7.7362 8.6703 8.6707 k = 0.0000 0.3448 0.5940 ( 5366 PWs) bands (ev): -20.2637 -20.2637 -20.2013 -20.2012 -17.2169 -17.2168 -17.0428 -17.0428 -15.7134 -15.7133 -15.7119 -15.7119 -9.1649 -9.1646 -9.0561 -9.0559 -7.6733 -7.6731 -7.6711 -7.6708 -6.9385 -6.9380 -6.8881 -6.8871 -5.8437 -5.8431 -5.8105 -5.8082 -4.9205 -4.9168 -4.7980 -4.7976 -4.5353 -4.5333 -4.4630 -4.4601 -0.8928 -0.8923 -0.8651 -0.8644 -0.4284 -0.4254 -0.3344 -0.3325 -0.2043 -0.2017 -0.0328 -0.0311 6.4109 6.4114 6.4366 6.4372 7.1447 7.1453 7.7390 7.7405 8.6509 8.6514 k = 0.0000 0.3621 0.5940 ( 5370 PWs) bands (ev): -20.2605 -20.2605 -20.2045 -20.2045 -17.2084 -17.2083 -17.0524 -17.0523 -15.7127 -15.7126 -15.7114 -15.7113 -9.1600 -9.1598 -9.0625 -9.0623 -7.6736 -7.6733 -7.6715 -7.6712 -6.9384 -6.9379 -6.8930 -6.8920 -5.8452 -5.8448 -5.8144 -5.8122 -4.9041 -4.9004 -4.7846 -4.7838 -4.5423 -4.5401 -4.4691 -4.4661 -0.8984 -0.8979 -0.8732 -0.8725 -0.4189 -0.4159 -0.3383 -0.3363 -0.1945 -0.1918 -0.0373 -0.0355 6.4074 6.4079 6.4326 6.4331 7.1911 7.1917 7.7387 7.7401 8.6345 8.6352 k = 0.0000 0.3793 0.5940 ( 5368 PWs) bands (ev): -20.2572 -20.2572 -20.2078 -20.2078 -17.1996 -17.1995 -17.0622 -17.0621 -15.7121 -15.7120 -15.7109 -15.7108 -9.1550 -9.1547 -9.0689 -9.0687 -7.6738 -7.6736 -7.6719 -7.6716 -6.9380 -6.9374 -6.8979 -6.8968 -5.8462 -5.8459 -5.8182 -5.8162 -4.8877 -4.8840 -4.7737 -4.7724 -4.5480 -4.5454 -4.4757 -4.4726 -0.9032 -0.9027 -0.8808 -0.8801 -0.4103 -0.4072 -0.3421 -0.3400 -0.1839 -0.1813 -0.0426 -0.0408 6.4047 6.4052 6.4286 6.4290 7.2381 7.2386 7.7334 7.7346 8.6218 8.6226 k = 0.0000 0.3966 0.5940 ( 5364 PWs) bands (ev): -20.2538 -20.2538 -20.2112 -20.2112 -17.1906 -17.1905 -17.0720 -17.0720 -15.7115 -15.7115 -15.7104 -15.7103 -9.1497 -9.1495 -9.0754 -9.0752 -7.6740 -7.6737 -7.6723 -7.6719 -6.9372 -6.9366 -6.9025 -6.9015 -5.8466 -5.8465 -5.8219 -5.8201 -4.8714 -4.8678 -4.7656 -4.7639 -4.5520 -4.5490 -4.4828 -4.4796 -0.9072 -0.9067 -0.8878 -0.8871 -0.4025 -0.3995 -0.3459 -0.3437 -0.1728 -0.1702 -0.0488 -0.0470 6.4028 6.4032 6.4247 6.4251 7.2853 7.2858 7.7227 7.7238 8.6132 8.6140 k = 0.0000 0.4138 0.5940 ( 5356 PWs) bands (ev): -20.2504 -20.2503 -20.2147 -20.2147 -17.1813 -17.1813 -17.0821 -17.0820 -15.7110 -15.7109 -15.7101 -15.7100 -9.1443 -9.1440 -9.0820 -9.0817 -7.6741 -7.6738 -7.6726 -7.6723 -6.9362 -6.9355 -6.9070 -6.9060 -5.8466 -5.8466 -5.8255 -5.8238 -4.8554 -4.8518 -4.7609 -4.7588 -4.5537 -4.5504 -4.4904 -4.4870 -0.9105 -0.9100 -0.8942 -0.8935 -0.3956 -0.3926 -0.3496 -0.3474 -0.1613 -0.1587 -0.0559 -0.0540 6.4017 6.4021 6.4209 6.4213 7.3326 7.3330 7.7066 7.7076 8.6088 8.6098 k = 0.0000 0.4310 0.5940 ( 5360 PWs) bands (ev): -20.2469 -20.2468 -20.2182 -20.2182 -17.1719 -17.1718 -17.0921 -17.0921 -15.7106 -15.7105 -15.7098 -15.7097 -9.1386 -9.1384 -9.0885 -9.0883 -7.6741 -7.6739 -7.6729 -7.6726 -6.9347 -6.9340 -6.9112 -6.9103 -5.8462 -5.8460 -5.8290 -5.8274 -4.8397 -4.8362 -4.7597 -4.7572 -4.5532 -4.5495 -4.4983 -4.4949 -0.9129 -0.9124 -0.8997 -0.8991 -0.3893 -0.3864 -0.3534 -0.3511 -0.1495 -0.1469 -0.0638 -0.0618 6.4013 6.4016 6.4173 6.4177 7.3794 7.3798 7.6852 7.6861 8.6087 8.6099 k = 0.0000 0.4483 0.5940 ( 5360 PWs) bands (ev): -20.2433 -20.2433 -20.2218 -20.2217 -17.1623 -17.1622 -17.1022 -17.1022 -15.7102 -15.7101 -15.7096 -15.7095 -9.1328 -9.1325 -9.0951 -9.0948 -7.6742 -7.6739 -7.6732 -7.6729 -6.9330 -6.9322 -6.9152 -6.9143 -5.8453 -5.8450 -5.8322 -5.8308 -4.8247 -4.8212 -4.7619 -4.7590 -4.5503 -4.5465 -4.5066 -4.5030 -0.9145 -0.9139 -0.9045 -0.9039 -0.3836 -0.3808 -0.3572 -0.3548 -0.1376 -0.1351 -0.0725 -0.0705 6.4015 6.4018 6.4140 6.4143 7.4256 7.4260 7.6588 7.6596 8.6129 8.6142 k = 0.0000 0.4655 0.5940 ( 5358 PWs) bands (ev): -20.2398 -20.2397 -20.2253 -20.2253 -17.1525 -17.1524 -17.1124 -17.1123 -15.7099 -15.7098 -15.7095 -15.7094 -9.1268 -9.1265 -9.1016 -9.1013 -7.6741 -7.6738 -7.6735 -7.6732 -6.9308 -6.9300 -6.9190 -6.9180 -5.8440 -5.8435 -5.8352 -5.8340 -4.8104 -4.8069 -4.7672 -4.7641 -4.5454 -4.5415 -4.5150 -4.5113 -0.9151 -0.9145 -0.9084 -0.9078 -0.3784 -0.3757 -0.3610 -0.3586 -0.1257 -0.1233 -0.0820 -0.0799 6.4024 6.4027 6.4109 6.4112 7.4705 7.4709 7.6279 7.6286 8.6211 8.6224 k = 0.0000 0.4828 0.5940 ( 5364 PWs) bands (ev): -20.2362 -20.2361 -20.2289 -20.2289 -17.1426 -17.1425 -17.1225 -17.1225 -15.7097 -15.7096 -15.7095 -15.7094 -9.1207 -9.1204 -9.1080 -9.1078 -7.6740 -7.6737 -7.6737 -7.6734 -6.9284 -6.9275 -6.9224 -6.9215 -5.8424 -5.8417 -5.8379 -5.8369 -4.7972 -4.7938 -4.7752 -4.7719 -4.5390 -4.5351 -4.5234 -4.5196 -0.9148 -0.9142 -0.9115 -0.9109 -0.3737 -0.3710 -0.3650 -0.3625 -0.1141 -0.1118 -0.0922 -0.0900 6.4038 6.4041 6.4081 6.4084 7.5137 7.5142 7.5930 7.5936 8.6329 8.6343 k = 0.0000 0.5000 0.5940 ( 5364 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1326 -17.1326 -17.1325 -17.1325 -15.7095 -15.7095 -15.7094 -15.7094 -9.1144 -9.1144 -9.1141 -9.1141 -7.6739 -7.6739 -7.6736 -7.6736 -6.9256 -6.9256 -6.9247 -6.9247 -5.8403 -5.8403 -5.8394 -5.8394 -4.7853 -4.7853 -4.7820 -4.7820 -4.5315 -4.5315 -4.5276 -4.5276 -0.9136 -0.9136 -0.9130 -0.9130 -0.3692 -0.3692 -0.3666 -0.3666 -0.1029 -0.1029 -0.1006 -0.1006 6.4057 6.4057 6.4060 6.4060 7.5548 7.5548 7.5553 7.5553 8.6480 8.6480 k = 0.0000 0.5000 0.5940 ( 5364 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1326 -17.1326 -17.1325 -17.1325 -15.7095 -15.7095 -15.7094 -15.7094 -9.1144 -9.1144 -9.1141 -9.1141 -7.6739 -7.6739 -7.6736 -7.6736 -6.9256 -6.9256 -6.9247 -6.9247 -5.8403 -5.8403 -5.8394 -5.8394 -4.7853 -4.7853 -4.7820 -4.7820 -4.5315 -4.5315 -4.5276 -4.5276 -0.9136 -0.9136 -0.9130 -0.9130 -0.3692 -0.3692 -0.3666 -0.3666 -0.1029 -0.1029 -0.1006 -0.1006 6.4057 6.4057 6.4060 6.4060 7.5548 7.5548 7.5553 7.5553 8.6480 8.6480 k = 0.0172 0.5000 0.5940 ( 5356 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1325 -17.1325 -17.1325 -17.1325 -15.7096 -15.7096 -15.7095 -15.7095 -9.1143 -9.1143 -9.1140 -9.1140 -7.6740 -7.6740 -7.6737 -7.6737 -6.9254 -6.9254 -6.9245 -6.9245 -5.8402 -5.8402 -5.8393 -5.8393 -4.7866 -4.7866 -4.7832 -4.7832 -4.5308 -4.5308 -4.5269 -4.5269 -0.9133 -0.9133 -0.9127 -0.9127 -0.3690 -0.3690 -0.3664 -0.3664 -0.1028 -0.1028 -0.1006 -0.1006 6.4055 6.4055 6.4058 6.4058 7.5561 7.5561 7.5566 7.5566 8.6483 8.6483 k = 0.0345 0.5000 0.5940 ( 5360 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1324 -17.1324 -17.1323 -17.1323 -15.7099 -15.7099 -15.7098 -15.7098 -9.1139 -9.1139 -9.1137 -9.1137 -7.6742 -7.6742 -7.6739 -7.6739 -6.9249 -6.9249 -6.9240 -6.9240 -5.8400 -5.8400 -5.8390 -5.8390 -4.7905 -4.7905 -4.7870 -4.7870 -4.5286 -4.5286 -4.5248 -4.5248 -0.9125 -0.9125 -0.9119 -0.9119 -0.3683 -0.3683 -0.3657 -0.3657 -0.1025 -0.1025 -0.1003 -0.1003 6.4047 6.4047 6.4050 6.4050 7.5601 7.5601 7.5606 7.5606 8.6493 8.6493 k = 0.0517 0.5000 0.5940 ( 5356 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1321 -17.1321 -17.1321 -17.1321 -15.7103 -15.7103 -15.7102 -15.7102 -9.1133 -9.1133 -9.1131 -9.1131 -7.6746 -7.6746 -7.6743 -7.6743 -6.9241 -6.9241 -6.9232 -6.9232 -5.8396 -5.8396 -5.8385 -5.8385 -4.7968 -4.7968 -4.7932 -4.7932 -4.5252 -4.5252 -4.5214 -4.5214 -0.9111 -0.9111 -0.9105 -0.9105 -0.3671 -0.3671 -0.3645 -0.3645 -0.1021 -0.1021 -0.0998 -0.0998 6.4035 6.4035 6.4038 6.4038 7.5668 7.5668 7.5673 7.5673 8.6510 8.6510 k = 0.0690 0.5000 0.5940 ( 5364 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1318 -17.1318 -17.1317 -17.1317 -15.7109 -15.7109 -15.7108 -15.7108 -9.1126 -9.1126 -9.1123 -9.1123 -7.6751 -7.6751 -7.6748 -7.6748 -6.9230 -6.9230 -6.9221 -6.9221 -5.8390 -5.8390 -5.8377 -5.8377 -4.8052 -4.8052 -4.8015 -4.8015 -4.5207 -4.5207 -4.5169 -4.5169 -0.9092 -0.9092 -0.9086 -0.9086 -0.3655 -0.3655 -0.3630 -0.3630 -0.1014 -0.1014 -0.0992 -0.0992 6.4019 6.4019 6.4022 6.4022 7.5761 7.5761 7.5767 7.5767 8.6533 8.6533 k = 0.0862 0.5000 0.5940 ( 5352 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1313 -17.1313 -17.1313 -17.1313 -15.7117 -15.7117 -15.7116 -15.7116 -9.1115 -9.1115 -9.1113 -9.1113 -7.6758 -7.6758 -7.6755 -7.6755 -6.9215 -6.9215 -6.9206 -6.9206 -5.8383 -5.8383 -5.8368 -5.8368 -4.8154 -4.8154 -4.8116 -4.8116 -4.5154 -4.5154 -4.5117 -4.5117 -0.9068 -0.9068 -0.9062 -0.9062 -0.3635 -0.3635 -0.3610 -0.3610 -0.1006 -0.1006 -0.0984 -0.0984 6.3998 6.3998 6.4001 6.4001 7.5880 7.5880 7.5886 7.5886 8.6562 8.6562 k = 0.1034 0.5000 0.5940 ( 5352 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1308 -17.1308 -17.1307 -17.1307 -15.7126 -15.7126 -15.7125 -15.7125 -9.1103 -9.1103 -9.1101 -9.1101 -7.6766 -7.6766 -7.6763 -7.6763 -6.9198 -6.9198 -6.9189 -6.9189 -5.8374 -5.8374 -5.8357 -5.8357 -4.8272 -4.8272 -4.8232 -4.8232 -4.5095 -4.5095 -4.5059 -4.5059 -0.9039 -0.9039 -0.9033 -0.9033 -0.3611 -0.3611 -0.3586 -0.3586 -0.0995 -0.0995 -0.0974 -0.0974 6.3974 6.3974 6.3977 6.3977 7.6024 7.6024 7.6030 7.6030 8.6597 8.6597 k = 0.1207 0.5000 0.5940 ( 5356 PWs) bands (ev): -20.2325 -20.2325 -20.2324 -20.2324 -17.1301 -17.1301 -17.1301 -17.1301 -15.7137 -15.7137 -15.7136 -15.7136 -9.1089 -9.1089 -9.1087 -9.1087 -7.6775 -7.6775 -7.6772 -7.6772 -6.9178 -6.9178 -6.9169 -6.9169 -5.8363 -5.8363 -5.8344 -5.8344 -4.8403 -4.8403 -4.8362 -4.8362 -4.5032 -4.5032 -4.4997 -4.4997 -0.9005 -0.9005 -0.8999 -0.8999 -0.3584 -0.3584 -0.3559 -0.3559 -0.0983 -0.0983 -0.0962 -0.0962 6.3946 6.3946 6.3950 6.3950 7.6191 7.6191 7.6198 7.6198 8.6638 8.6638 k = 0.1379 0.5000 0.5940 ( 5348 PWs) bands (ev): -20.2324 -20.2324 -20.2324 -20.2324 -17.1294 -17.1294 -17.1294 -17.1294 -15.7149 -15.7149 -15.7148 -15.7148 -9.1074 -9.1074 -9.1071 -9.1071 -7.6785 -7.6785 -7.6783 -7.6783 -6.9156 -6.9156 -6.9146 -6.9146 -5.8350 -5.8350 -5.8330 -5.8330 -4.8544 -4.8544 -4.8502 -4.8502 -4.4968 -4.4968 -4.4934 -4.4934 -0.8967 -0.8967 -0.8961 -0.8961 -0.3553 -0.3553 -0.3529 -0.3529 -0.0970 -0.0970 -0.0949 -0.0949 6.3916 6.3916 6.3920 6.3920 7.6382 7.6382 7.6389 7.6389 8.6683 8.6683 k = 0.1552 0.5000 0.5940 ( 5340 PWs) bands (ev): -20.2324 -20.2324 -20.2324 -20.2324 -17.1287 -17.1287 -17.1286 -17.1286 -15.7162 -15.7162 -15.7161 -15.7161 -9.1056 -9.1056 -9.1054 -9.1054 -7.6797 -7.6797 -7.6794 -7.6794 -6.9131 -6.9131 -6.9121 -6.9121 -5.8336 -5.8336 -5.8314 -5.8314 -4.8693 -4.8693 -4.8650 -4.8650 -4.4903 -4.4903 -4.4870 -4.4870 -0.8925 -0.8925 -0.8919 -0.8919 -0.3521 -0.3521 -0.3497 -0.3497 -0.0954 -0.0954 -0.0934 -0.0934 6.3885 6.3885 6.3888 6.3888 7.6596 7.6596 7.6603 7.6603 8.6732 8.6732 k = 0.1724 0.5000 0.5940 ( 5328 PWs) bands (ev): -20.2324 -20.2324 -20.2323 -20.2323 -17.1278 -17.1278 -17.1278 -17.1278 -15.7176 -15.7176 -15.7175 -15.7175 -9.1038 -9.1038 -9.1035 -9.1035 -7.6809 -7.6809 -7.6806 -7.6806 -6.9104 -6.9104 -6.9094 -6.9094 -5.8321 -5.8321 -5.8297 -5.8297 -4.8847 -4.8847 -4.8804 -4.8804 -4.4840 -4.4840 -4.4808 -4.4808 -0.8880 -0.8880 -0.8874 -0.8874 -0.3486 -0.3486 -0.3463 -0.3463 -0.0938 -0.0938 -0.0918 -0.0918 6.3851 6.3851 6.3855 6.3855 7.6830 7.6830 7.6838 7.6838 8.6783 8.6785 k = 0.1897 0.5000 0.5940 ( 5328 PWs) bands (ev): -20.2323 -20.2323 -20.2323 -20.2323 -17.1270 -17.1270 -17.1269 -17.1269 -15.7191 -15.7191 -15.7190 -15.7190 -9.1018 -9.1018 -9.1016 -9.1016 -7.6822 -7.6822 -7.6819 -7.6819 -6.9076 -6.9076 -6.9066 -6.9066 -5.8304 -5.8304 -5.8278 -5.8278 -4.9006 -4.9006 -4.8962 -4.8962 -4.4778 -4.4778 -4.4748 -4.4748 -0.8831 -0.8831 -0.8826 -0.8826 -0.3450 -0.3450 -0.3428 -0.3428 -0.0919 -0.0919 -0.0900 -0.0900 6.3817 6.3817 6.3821 6.3821 7.7084 7.7084 7.7092 7.7092 8.6836 8.6836 k = 0.2069 0.5000 0.5940 ( 5328 PWs) bands (ev): -20.2323 -20.2323 -20.2323 -20.2323 -17.1260 -17.1260 -17.1260 -17.1260 -15.7206 -15.7206 -15.7205 -15.7205 -9.0998 -9.0998 -9.0995 -9.0995 -7.6835 -7.6835 -7.6833 -7.6833 -6.9046 -6.9046 -6.9036 -6.9036 -5.8285 -5.8285 -5.8259 -5.8259 -4.9166 -4.9166 -4.9123 -4.9123 -4.4719 -4.4719 -4.4690 -4.4690 -0.8781 -0.8781 -0.8776 -0.8776 -0.3413 -0.3413 -0.3392 -0.3392 -0.0900 -0.0900 -0.0881 -0.0881 6.3782 6.3782 6.3786 6.3786 7.7358 7.7358 7.7366 7.7366 8.6889 8.6889 k = 0.2241 0.5000 0.5940 ( 5320 PWs) bands (ev): -20.2323 -20.2323 -20.2322 -20.2322 -17.1251 -17.1251 -17.1250 -17.1250 -15.7222 -15.7222 -15.7221 -15.7221 -9.0976 -9.0976 -9.0974 -9.0974 -7.6849 -7.6849 -7.6847 -7.6847 -6.9015 -6.9015 -6.9005 -6.9005 -5.8266 -5.8266 -5.8238 -5.8238 -4.9328 -4.9328 -4.9284 -4.9284 -4.4663 -4.4663 -4.4635 -4.4635 -0.8728 -0.8728 -0.8723 -0.8723 -0.3376 -0.3376 -0.3355 -0.3355 -0.0879 -0.0879 -0.0861 -0.0861 6.3748 6.3748 6.3752 6.3752 7.7648 7.7648 7.7657 7.7657 8.6939 8.6939 k = 0.2414 0.5000 0.5940 ( 5324 PWs) bands (ev): -20.2322 -20.2322 -20.2322 -20.2322 -17.1241 -17.1241 -17.1241 -17.1241 -15.7239 -15.7239 -15.7238 -15.7238 -9.0955 -9.0955 -9.0953 -9.0953 -7.6863 -7.6863 -7.6861 -7.6861 -6.8983 -6.8983 -6.8973 -6.8973 -5.8245 -5.8245 -5.8217 -5.8217 -4.9488 -4.9488 -4.9445 -4.9445 -4.4610 -4.4610 -4.4584 -4.4584 -0.8674 -0.8674 -0.8670 -0.8670 -0.3338 -0.3338 -0.3319 -0.3319 -0.0858 -0.0858 -0.0841 -0.0841 6.3714 6.3714 6.3718 6.3718 7.7955 7.7955 7.7964 7.7964 8.6983 8.6983 k = 0.2586 0.5000 0.5940 ( 5320 PWs) bands (ev): -20.2322 -20.2322 -20.2322 -20.2322 -17.1231 -17.1231 -17.1231 -17.1231 -15.7255 -15.7255 -15.7254 -15.7254 -9.0933 -9.0933 -9.0931 -9.0931 -7.6878 -7.6878 -7.6875 -7.6875 -6.8951 -6.8951 -6.8941 -6.8941 -5.8224 -5.8224 -5.8195 -5.8195 -4.9645 -4.9645 -4.9603 -4.9603 -4.4561 -4.4561 -4.4537 -4.4537 -0.8620 -0.8620 -0.8616 -0.8616 -0.3302 -0.3302 -0.3283 -0.3283 -0.0836 -0.0836 -0.0819 -0.0819 6.3681 6.3681 6.3685 6.3685 7.8276 7.8276 7.8286 7.8286 8.7018 8.7018 k = 0.2759 0.5000 0.5940 ( 5320 PWs) bands (ev): -20.2321 -20.2321 -20.2321 -20.2321 -17.1222 -17.1222 -17.1221 -17.1221 -15.7272 -15.7272 -15.7271 -15.7271 -9.0911 -9.0911 -9.0910 -9.0910 -7.6892 -7.6892 -7.6890 -7.6890 -6.8918 -6.8918 -6.8909 -6.8909 -5.8202 -5.8202 -5.8173 -5.8173 -4.9799 -4.9799 -4.9758 -4.9758 -4.4516 -4.4516 -4.4493 -4.4493 -0.8566 -0.8566 -0.8562 -0.8562 -0.3266 -0.3266 -0.3248 -0.3248 -0.0813 -0.0813 -0.0798 -0.0798 6.3649 6.3649 6.3653 6.3653 7.8611 7.8611 7.8620 7.8620 8.7037 8.7037 k = 0.2931 0.5000 0.5940 ( 5328 PWs) bands (ev): -20.2321 -20.2321 -20.2321 -20.2321 -17.1212 -17.1212 -17.1212 -17.1212 -15.7288 -15.7288 -15.7287 -15.7287 -9.0890 -9.0890 -9.0889 -9.0889 -7.6906 -7.6906 -7.6904 -7.6904 -6.8886 -6.8886 -6.8877 -6.8877 -5.8180 -5.8180 -5.8151 -5.8151 -4.9948 -4.9948 -4.9908 -4.9908 -4.4475 -4.4475 -4.4453 -4.4453 -0.8512 -0.8512 -0.8509 -0.8509 -0.3231 -0.3231 -0.3215 -0.3215 -0.0791 -0.0791 -0.0776 -0.0776 6.3619 6.3619 6.3623 6.3623 7.8957 7.8957 7.8967 7.8967 8.7036 8.7036 k = 0.3103 0.5000 0.5940 ( 5332 PWs) bands (ev): -20.2321 -20.2321 -20.2321 -20.2321 -17.1203 -17.1203 -17.1202 -17.1202 -15.7303 -15.7303 -15.7303 -15.7303 -9.0870 -9.0870 -9.0868 -9.0868 -7.6919 -7.6919 -7.6917 -7.6917 -6.8855 -6.8855 -6.8846 -6.8846 -5.8157 -5.8157 -5.8129 -5.8129 -5.0090 -5.0090 -5.0052 -5.0052 -4.4437 -4.4437 -4.4417 -4.4417 -0.8460 -0.8460 -0.8457 -0.8457 -0.3199 -0.3199 -0.3183 -0.3183 -0.0768 -0.0768 -0.0755 -0.0755 6.3591 6.3591 6.3594 6.3594 7.9312 7.9312 7.9323 7.9323 8.7007 8.7007 k = 0.3276 0.5000 0.5940 ( 5324 PWs) bands (ev): -20.2320 -20.2320 -20.2320 -20.2320 -17.1194 -17.1194 -17.1193 -17.1193 -15.7318 -15.7318 -15.7318 -15.7318 -9.0850 -9.0850 -9.0848 -9.0848 -7.6932 -7.6932 -7.6930 -7.6930 -6.8825 -6.8825 -6.8817 -6.8817 -5.8135 -5.8135 -5.8108 -5.8108 -5.0225 -5.0225 -5.0189 -5.0189 -4.4403 -4.4403 -4.4385 -4.4385 -0.8410 -0.8410 -0.8407 -0.8407 -0.3168 -0.3168 -0.3153 -0.3153 -0.0746 -0.0746 -0.0734 -0.0734 6.3565 6.3565 6.3568 6.3568 7.9675 7.9675 7.9686 7.9686 8.6943 8.6943 k = 0.3448 0.5000 0.5940 ( 5332 PWs) bands (ev): -20.2320 -20.2320 -20.2320 -20.2320 -17.1185 -17.1185 -17.1185 -17.1185 -15.7333 -15.7333 -15.7332 -15.7332 -9.0831 -9.0831 -9.0830 -9.0830 -7.6945 -7.6945 -7.6943 -7.6943 -6.8796 -6.8796 -6.8788 -6.8788 -5.8113 -5.8113 -5.8087 -5.8087 -5.0350 -5.0350 -5.0317 -5.0317 -4.4373 -4.4373 -4.4357 -4.4357 -0.8362 -0.8362 -0.8359 -0.8359 -0.3139 -0.3139 -0.3126 -0.3126 -0.0725 -0.0725 -0.0714 -0.0714 6.3541 6.3541 6.3544 6.3544 8.0044 8.0044 8.0055 8.0055 8.6839 8.6839 k = 0.3621 0.5000 0.5940 ( 5328 PWs) bands (ev): -20.2320 -20.2320 -20.2320 -20.2320 -17.1177 -17.1177 -17.1177 -17.1177 -15.7346 -15.7346 -15.7345 -15.7345 -9.0814 -9.0814 -9.0813 -9.0813 -7.6956 -7.6956 -7.6954 -7.6954 -6.8769 -6.8769 -6.8762 -6.8762 -5.8092 -5.8092 -5.8068 -5.8068 -5.0466 -5.0466 -5.0435 -5.0435 -4.4346 -4.4346 -4.4331 -4.4331 -0.8318 -0.8318 -0.8315 -0.8315 -0.3113 -0.3113 -0.3101 -0.3101 -0.0705 -0.0705 -0.0695 -0.0695 6.3519 6.3519 6.3522 6.3522 8.0415 8.0415 8.0427 8.0427 8.6694 8.6694 k = 0.3793 0.5000 0.5940 ( 5336 PWs) bands (ev): -20.2320 -20.2320 -20.2319 -20.2319 -17.1170 -17.1170 -17.1170 -17.1170 -15.7358 -15.7358 -15.7358 -15.7358 -9.0798 -9.0798 -9.0797 -9.0797 -7.6966 -7.6966 -7.6965 -7.6965 -6.8744 -6.8744 -6.8738 -6.8738 -5.8072 -5.8072 -5.8050 -5.8050 -5.0571 -5.0571 -5.0543 -5.0543 -4.4323 -4.4323 -4.4310 -4.4310 -0.8277 -0.8277 -0.8275 -0.8275 -0.3089 -0.3089 -0.3079 -0.3079 -0.0687 -0.0687 -0.0678 -0.0678 6.3500 6.3500 6.3503 6.3503 8.0786 8.0786 8.0797 8.0797 8.6510 8.6510 k = 0.3966 0.5000 0.5940 ( 5336 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1164 -17.1164 -17.1164 -17.1164 -15.7369 -15.7369 -15.7368 -15.7368 -9.0784 -9.0784 -9.0783 -9.0783 -7.6975 -7.6975 -7.6974 -7.6974 -6.8722 -6.8722 -6.8717 -6.8717 -5.8054 -5.8054 -5.8034 -5.8034 -5.0663 -5.0663 -5.0639 -5.0639 -4.4302 -4.4302 -4.4292 -4.4292 -0.8240 -0.8240 -0.8238 -0.8238 -0.3068 -0.3068 -0.3060 -0.3060 -0.0670 -0.0670 -0.0662 -0.0662 6.3484 6.3484 6.3486 6.3486 8.1151 8.1151 8.1163 8.1163 8.6294 8.6294 k = 0.4138 0.5000 0.5940 ( 5336 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1158 -17.1158 -17.1158 -17.1158 -15.7378 -15.7378 -15.7378 -15.7378 -9.0772 -9.0772 -9.0771 -9.0771 -7.6983 -7.6983 -7.6982 -7.6982 -6.8703 -6.8703 -6.8698 -6.8698 -5.8038 -5.8038 -5.8020 -5.8020 -5.0743 -5.0743 -5.0722 -5.0722 -4.4286 -4.4286 -4.4276 -4.4276 -0.8209 -0.8209 -0.8207 -0.8207 -0.3050 -0.3050 -0.3043 -0.3043 -0.0655 -0.0655 -0.0649 -0.0649 6.3470 6.3470 6.3472 6.3472 8.1506 8.1506 8.1517 8.1517 8.6058 8.6058 k = 0.4310 0.5000 0.5940 ( 5336 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1154 -17.1154 -17.1153 -17.1153 -15.7386 -15.7386 -15.7386 -15.7386 -9.0761 -9.0761 -9.0761 -9.0761 -7.6990 -7.6990 -7.6989 -7.6989 -6.8686 -6.8686 -6.8682 -6.8682 -5.8023 -5.8023 -5.8009 -5.8009 -5.0809 -5.0809 -5.0792 -5.0792 -4.4272 -4.4272 -4.4264 -4.4264 -0.8182 -0.8182 -0.8181 -0.8181 -0.3036 -0.3036 -0.3030 -0.3030 -0.0643 -0.0643 -0.0638 -0.0638 6.3458 6.3458 6.3460 6.3460 8.1842 8.1842 8.1853 8.1853 8.5812 8.5813 k = 0.4483 0.5000 0.5940 ( 5340 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1150 -17.1150 -17.1150 -17.1150 -15.7392 -15.7392 -15.7392 -15.7392 -9.0753 -9.0753 -9.0753 -9.0753 -7.6995 -7.6995 -7.6994 -7.6994 -6.8673 -6.8673 -6.8670 -6.8670 -5.8011 -5.8011 -5.8000 -5.8000 -5.0860 -5.0860 -5.0847 -5.0847 -4.4261 -4.4261 -4.4255 -4.4255 -0.8161 -0.8161 -0.8160 -0.8160 -0.3024 -0.3024 -0.3019 -0.3019 -0.0633 -0.0633 -0.0629 -0.0629 6.3449 6.3449 6.3451 6.3451 8.2146 8.2146 8.2156 8.2156 8.5575 8.5576 k = 0.4655 0.5000 0.5940 ( 5348 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1147 -17.1147 -17.1147 -17.1147 -15.7396 -15.7396 -15.7396 -15.7396 -9.0747 -9.0747 -9.0747 -9.0747 -7.6999 -7.6999 -7.6998 -7.6998 -6.8664 -6.8664 -6.8662 -6.8662 -5.8002 -5.8002 -5.7995 -5.7995 -5.0897 -5.0897 -5.0888 -5.0888 -4.4253 -4.4253 -4.4249 -4.4249 -0.8146 -0.8146 -0.8145 -0.8145 -0.3015 -0.3015 -0.3012 -0.3012 -0.0625 -0.0625 -0.0623 -0.0623 6.3443 6.3443 6.3444 6.3444 8.2400 8.2400 8.2408 8.2408 8.5370 8.5378 k = 0.4828 0.5000 0.5940 ( 5340 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1146 -17.1146 -17.1146 -17.1146 -15.7399 -15.7399 -15.7399 -15.7399 -9.0744 -9.0744 -9.0744 -9.0744 -7.7001 -7.7001 -7.7001 -7.7001 -6.8658 -6.8658 -6.8657 -6.8657 -5.7996 -5.7996 -5.7992 -5.7992 -5.0918 -5.0918 -5.0913 -5.0913 -4.4248 -4.4248 -4.4246 -4.4246 -0.8137 -0.8137 -0.8136 -0.8136 -0.3009 -0.3009 -0.3008 -0.3008 -0.0620 -0.0620 -0.0619 -0.0619 6.3439 6.3439 6.3440 6.3440 8.2575 8.2575 8.2579 8.2579 8.5226 8.5231 k = 0.5000 0.5000 0.5940 ( 5352 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1145 -17.1145 -17.1145 -17.1145 -15.7400 -15.7400 -15.7400 -15.7400 -9.0743 -9.0743 -9.0743 -9.0743 -7.7002 -7.7002 -7.7002 -7.7002 -6.8655 -6.8655 -6.8655 -6.8655 -5.7992 -5.7992 -5.7992 -5.7992 -5.0924 -5.0924 -5.0924 -5.0924 -4.4245 -4.4245 -4.4245 -4.4245 -0.8133 -0.8133 -0.8133 -0.8133 -0.3007 -0.3007 -0.3007 -0.3007 -0.0618 -0.0618 -0.0618 -0.0618 6.3438 6.3438 6.3438 6.3438 8.2639 8.2639 8.2639 8.2639 8.5175 8.5175 k = 0.5000 0.5000 0.5940 ( 5352 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1145 -17.1145 -17.1145 -17.1145 -15.7400 -15.7400 -15.7400 -15.7400 -9.0743 -9.0743 -9.0743 -9.0743 -7.7002 -7.7002 -7.7002 -7.7002 -6.8655 -6.8655 -6.8655 -6.8655 -5.7992 -5.7992 -5.7992 -5.7992 -5.0924 -5.0924 -5.0924 -5.0924 -4.4245 -4.4245 -4.4245 -4.4245 -0.8133 -0.8133 -0.8133 -0.8133 -0.3007 -0.3007 -0.3007 -0.3007 -0.0618 -0.0618 -0.0618 -0.0618 6.3438 6.3438 6.3438 6.3438 8.2639 8.2639 8.2639 8.2639 8.5175 8.5175 k = 0.4875 0.4875 0.5940 ( 5340 PWs) bands (ev): -20.2320 -20.2320 -20.2318 -20.2318 -17.1149 -17.1148 -17.1143 -17.1143 -15.7400 -15.7400 -15.7398 -15.7398 -9.0746 -9.0746 -9.0742 -9.0742 -7.7001 -7.7001 -7.7001 -7.7000 -6.8660 -6.8658 -6.8655 -6.8655 -5.7999 -5.7993 -5.7992 -5.7991 -5.0926 -5.0925 -5.0908 -5.0902 -4.4249 -4.4248 -4.4245 -4.4245 -0.8139 -0.8139 -0.8134 -0.8134 -0.3011 -0.3010 -0.3007 -0.3007 -0.0625 -0.0624 -0.0615 -0.0614 6.3437 6.3438 6.3442 6.3442 8.2500 8.2505 8.2647 8.2649 8.5179 8.5179 k = 0.4750 0.4750 0.5940 ( 5348 PWs) bands (ev): -20.2323 -20.2323 -20.2315 -20.2315 -17.1159 -17.1159 -17.1136 -17.1135 -15.7399 -15.7399 -15.7393 -15.7393 -9.0756 -9.0755 -9.0739 -9.0739 -7.6999 -7.6999 -7.6997 -7.6997 -6.8672 -6.8669 -6.8656 -6.8656 -5.8012 -5.8002 -5.7990 -5.7990 -5.0931 -5.0930 -5.0857 -5.0846 -4.4259 -4.4256 -4.4245 -4.4245 -0.8157 -0.8157 -0.8135 -0.8135 -0.3022 -0.3021 -0.3007 -0.3006 -0.0645 -0.0643 -0.0606 -0.0603 6.3434 6.3435 6.3453 6.3453 8.2142 8.2151 8.2670 8.2674 8.5191 8.5192 k = 0.4625 0.4625 0.5940 ( 5348 PWs) bands (ev): -20.2328 -20.2328 -20.2310 -20.2310 -17.1177 -17.1177 -17.1124 -17.1124 -15.7398 -15.7398 -15.7385 -15.7385 -9.0772 -9.0772 -9.0735 -9.0735 -7.6997 -7.6997 -7.6992 -7.6992 -6.8690 -6.8686 -6.8657 -6.8657 -5.8033 -5.8018 -5.7987 -5.7987 -5.0940 -5.0939 -5.0770 -5.0755 -4.4275 -4.4270 -4.4246 -4.4245 -0.8186 -0.8186 -0.8138 -0.8138 -0.3039 -0.3038 -0.3006 -0.3006 -0.0678 -0.0675 -0.0589 -0.0585 6.3429 6.3431 6.3471 6.3471 8.1657 8.1667 8.2705 8.2709 8.5211 8.5212 k = 0.4500 0.4500 0.5940 ( 5344 PWs) bands (ev): -20.2335 -20.2335 -20.2303 -20.2303 -17.1201 -17.1201 -17.1107 -17.1107 -15.7396 -15.7396 -15.7374 -15.7374 -9.0794 -9.0794 -9.0730 -9.0729 -7.6993 -7.6993 -7.6985 -7.6984 -6.8716 -6.8711 -6.8658 -6.8657 -5.8058 -5.8039 -5.7983 -5.7983 -5.0952 -5.0951 -5.0651 -5.0631 -4.4297 -4.4291 -4.4246 -4.4245 -0.8225 -0.8225 -0.8141 -0.8141 -0.3062 -0.3061 -0.3005 -0.3004 -0.0723 -0.0719 -0.0567 -0.0562 6.3423 6.3426 6.3496 6.3496 8.1102 8.1112 8.2743 8.2749 8.5240 8.5242 k = 0.4375 0.4375 0.5940 ( 5352 PWs) bands (ev): -20.2345 -20.2344 -20.2294 -20.2294 -17.1231 -17.1231 -17.1086 -17.1086 -15.7394 -15.7394 -15.7361 -15.7361 -9.0822 -9.0822 -9.0723 -9.0722 -7.6989 -7.6989 -7.6976 -7.6975 -6.8747 -6.8741 -6.8659 -6.8659 -5.8088 -5.8066 -5.7978 -5.7978 -5.0967 -5.0966 -5.0502 -5.0478 -4.4325 -4.4318 -4.4246 -4.4246 -0.8274 -0.8273 -0.8146 -0.8145 -0.3091 -0.3089 -0.3004 -0.3003 -0.0780 -0.0775 -0.0540 -0.0533 6.3416 6.3419 6.3528 6.3528 8.0508 8.0518 8.2775 8.2781 8.5277 8.5279 k = 0.4250 0.4250 0.5940 ( 5342 PWs) bands (ev): -20.2356 -20.2356 -20.2283 -20.2283 -17.1268 -17.1268 -17.1060 -17.1060 -15.7391 -15.7391 -15.7344 -15.7344 -9.0856 -9.0855 -9.0714 -9.0713 -7.6983 -7.6983 -7.6964 -7.6963 -6.8783 -6.8776 -6.8660 -6.8660 -5.8121 -5.8096 -5.7972 -5.7972 -5.0984 -5.0983 -5.0327 -5.0299 -4.4361 -4.4352 -4.4246 -4.4246 -0.8331 -0.8330 -0.8150 -0.8150 -0.3124 -0.3123 -0.3002 -0.3001 -0.0848 -0.0843 -0.0508 -0.0501 6.3409 6.3413 6.3566 6.3566 7.9890 7.9900 8.2788 8.2794 8.5323 8.5325 k = 0.4125 0.4125 0.5940 ( 5344 PWs) bands (ev): -20.2369 -20.2369 -20.2270 -20.2270 -17.1311 -17.1311 -17.1030 -17.1030 -15.7388 -15.7388 -15.7326 -15.7326 -9.0894 -9.0894 -9.0703 -9.0702 -7.6976 -7.6976 -7.6952 -7.6951 -6.8824 -6.8816 -6.8661 -6.8661 -5.8155 -5.8129 -5.7965 -5.7965 -5.1004 -5.1003 -5.0128 -5.0097 -4.4405 -4.4394 -4.4246 -4.4246 -0.8394 -0.8393 -0.8156 -0.8155 -0.3162 -0.3161 -0.3000 -0.2999 -0.0928 -0.0921 -0.0473 -0.0465 6.3402 6.3406 6.3610 6.3611 7.9260 7.9270 8.2771 8.2775 8.5377 8.5380 k = 0.4000 0.4000 0.5940 ( 5352 PWs) bands (ev): -20.2384 -20.2383 -20.2256 -20.2256 -17.1359 -17.1359 -17.0995 -17.0995 -15.7385 -15.7385 -15.7306 -15.7306 -9.0938 -9.0937 -9.0691 -9.0690 -7.6969 -7.6969 -7.6938 -7.6936 -6.8867 -6.8859 -6.8663 -6.8662 -5.8190 -5.8162 -5.7957 -5.7957 -5.1026 -5.1024 -4.9909 -4.9877 -4.4456 -4.4444 -4.4246 -4.4246 -0.8461 -0.8460 -0.8162 -0.8161 -0.3203 -0.3203 -0.2997 -0.2997 -0.1018 -0.1010 -0.0436 -0.0427 6.3395 6.3400 6.3660 6.3661 7.8624 7.8634 8.2712 8.2715 8.5440 8.5443 k = 0.3875 0.3875 0.5940 ( 5348 PWs) bands (ev): -20.2400 -20.2400 -20.2240 -20.2240 -17.1412 -17.1412 -17.0957 -17.0956 -15.7381 -15.7381 -15.7285 -15.7285 -9.0985 -9.0984 -9.0677 -9.0676 -7.6961 -7.6960 -7.6922 -7.6921 -6.8913 -6.8904 -6.8663 -6.8662 -5.8224 -5.8196 -5.7948 -5.7948 -5.1049 -5.1047 -4.9675 -4.9641 -4.4516 -4.4503 -4.4246 -4.4245 -0.8531 -0.8530 -0.8168 -0.8166 -0.3249 -0.3248 -0.2994 -0.2993 -0.1117 -0.1108 -0.0397 -0.0387 6.3391 6.3395 6.3716 6.3716 7.7987 7.7997 8.2606 8.2606 8.5512 8.5515 k = 0.3750 0.3750 0.5940 ( 5340 PWs) bands (ev): -20.2418 -20.2418 -20.2223 -20.2223 -17.1470 -17.1470 -17.0914 -17.0913 -15.7377 -15.7377 -15.7263 -15.7263 -9.1035 -9.1035 -9.0661 -9.0660 -7.6951 -7.6951 -7.6906 -7.6904 -6.8960 -6.8951 -6.8663 -6.8662 -5.8256 -5.8228 -5.7938 -5.7938 -5.1072 -5.1070 -4.9429 -4.9394 -4.4585 -4.4571 -4.4245 -4.4245 -0.8602 -0.8601 -0.8174 -0.8172 -0.3297 -0.3296 -0.2990 -0.2990 -0.1224 -0.1214 -0.0358 -0.0348 6.3388 6.3393 6.3776 6.3777 7.7353 7.7362 8.2447 8.2450 8.5593 8.5596 k = 0.3625 0.3625 0.5940 ( 5348 PWs) bands (ev): -20.2438 -20.2438 -20.2204 -20.2204 -17.1532 -17.1532 -17.0867 -17.0867 -15.7372 -15.7372 -15.7241 -15.7241 -9.1089 -9.1088 -9.0644 -9.0642 -7.6941 -7.6941 -7.6889 -7.6887 -6.9008 -6.8998 -6.8663 -6.8662 -5.8285 -5.8258 -5.7927 -5.7927 -5.1096 -5.1094 -4.9176 -4.9141 -4.4664 -4.4648 -4.4245 -4.4245 -0.8670 -0.8669 -0.8180 -0.8178 -0.3349 -0.3346 -0.2986 -0.2985 -0.1339 -0.1327 -0.0320 -0.0309 6.3388 6.3393 6.3840 6.3841 7.6725 7.6734 8.2241 8.2246 8.5683 8.5687 k = 0.3500 0.3500 0.5940 ( 5356 PWs) bands (ev): -20.2459 -20.2459 -20.2184 -20.2183 -17.1597 -17.1597 -17.0817 -17.0816 -15.7367 -15.7367 -15.7219 -15.7219 -9.1144 -9.1144 -9.0624 -9.0623 -7.6931 -7.6931 -7.6871 -7.6869 -6.9054 -6.9045 -6.8662 -6.8661 -5.8312 -5.8286 -5.7916 -5.7916 -5.1120 -5.1118 -4.8919 -4.8884 -4.4752 -4.4734 -4.4244 -4.4244 -0.8735 -0.8734 -0.8185 -0.8183 -0.3404 -0.3400 -0.2981 -0.2980 -0.1459 -0.1445 -0.0283 -0.0271 6.3391 6.3396 6.3908 6.3909 7.6104 7.6113 8.1994 8.2002 8.5782 8.5786 k = 0.3375 0.3375 0.5940 ( 5364 PWs) bands (ev): -20.2481 -20.2481 -20.2162 -20.2162 -17.1666 -17.1666 -17.0763 -17.0763 -15.7362 -15.7362 -15.7197 -15.7197 -9.1202 -9.1201 -9.0603 -9.0601 -7.6920 -7.6920 -7.6853 -7.6851 -6.9099 -6.9090 -6.8660 -6.8658 -5.8334 -5.8311 -5.7904 -5.7903 -5.1143 -5.1141 -4.8663 -4.8628 -4.4848 -4.4830 -4.4244 -4.4243 -0.8793 -0.8793 -0.8190 -0.8188 -0.3462 -0.3456 -0.2975 -0.2974 -0.1583 -0.1567 -0.0248 -0.0236 6.3399 6.3404 6.3979 6.3980 7.5492 7.5501 8.1712 8.1723 8.5891 8.5896 k = 0.3250 0.3250 0.5940 ( 5368 PWs) bands (ev): -20.2504 -20.2504 -20.2140 -20.2140 -17.1737 -17.1736 -17.0706 -17.0705 -15.7356 -15.7356 -15.7177 -15.7177 -9.1260 -9.1259 -9.0579 -9.0578 -7.6908 -7.6908 -7.6835 -7.6833 -6.9142 -6.9133 -6.8657 -6.8655 -5.8353 -5.8331 -5.7891 -5.7890 -5.1165 -5.1163 -4.8412 -4.8379 -4.4952 -4.4933 -4.4242 -4.4242 -0.8844 -0.8844 -0.8193 -0.8191 -0.3524 -0.3517 -0.2968 -0.2968 -0.1710 -0.1692 -0.0216 -0.0203 6.3412 6.3417 6.4053 6.4054 7.4892 7.4901 8.1404 8.1416 8.6011 8.6016 k = 0.3125 0.3125 0.5940 ( 5368 PWs) bands (ev): -20.2528 -20.2528 -20.2116 -20.2116 -17.1810 -17.1809 -17.0646 -17.0645 -15.7351 -15.7351 -15.7158 -15.7158 -9.1318 -9.1317 -9.0554 -9.0552 -7.6896 -7.6896 -7.6817 -7.6815 -6.9181 -6.9172 -6.8652 -6.8650 -5.8367 -5.8348 -5.7877 -5.7877 -5.1185 -5.1183 -4.8171 -4.8140 -4.5062 -4.5043 -4.4241 -4.4241 -0.8884 -0.8884 -0.8196 -0.8193 -0.3591 -0.3582 -0.2961 -0.2961 -0.1837 -0.1817 -0.0187 -0.0174 6.3429 6.3435 6.4129 6.4130 7.4304 7.4313 8.1074 8.1088 8.6140 8.6146 k = 0.3000 0.3000 0.5940 ( 5362 PWs) bands (ev): -20.2553 -20.2553 -20.2092 -20.2092 -17.1884 -17.1884 -17.0583 -17.0583 -15.7345 -15.7345 -15.7141 -15.7141 -9.1377 -9.1375 -9.0527 -9.0525 -7.6884 -7.6884 -7.6800 -7.6798 -6.9217 -6.9209 -6.8646 -6.8644 -5.8377 -5.8361 -5.7863 -5.7863 -5.1204 -5.1202 -4.7947 -4.7918 -4.5175 -4.5155 -4.4239 -4.4239 -0.8914 -0.8913 -0.8197 -0.8194 -0.3664 -0.3652 -0.2953 -0.2952 -0.1961 -0.1939 -0.0161 -0.0148 6.3453 6.3458 6.4207 6.4208 7.3730 7.3739 8.0730 8.0745 8.6281 8.6286 k = 0.2875 0.2875 0.5940 ( 5358 PWs) bands (ev): -20.2578 -20.2578 -20.2067 -20.2067 -17.1959 -17.1959 -17.0518 -17.0518 -15.7339 -15.7339 -15.7125 -15.7125 -9.1434 -9.1433 -9.0498 -9.0496 -7.6871 -7.6871 -7.6783 -7.6781 -6.9248 -6.9241 -6.8638 -6.8636 -5.8382 -5.8370 -5.7849 -5.7849 -5.1220 -5.1218 -4.7746 -4.7721 -4.5284 -4.5265 -4.4237 -4.4237 -0.8930 -0.8929 -0.8196 -0.8193 -0.3744 -0.3730 -0.2944 -0.2944 -0.2082 -0.2057 -0.0140 -0.0127 6.3483 6.3488 6.4286 6.4287 7.3170 7.3179 8.0375 8.0391 8.6433 8.6438 k = 0.2750 0.2750 0.5940 ( 5354 PWs) bands (ev): -20.2604 -20.2604 -20.2042 -20.2041 -17.2035 -17.2035 -17.0451 -17.0450 -15.7333 -15.7333 -15.7113 -15.7113 -9.1491 -9.1489 -9.0467 -9.0465 -7.6858 -7.6858 -7.6767 -7.6765 -6.9275 -6.9268 -6.8629 -6.8626 -5.8383 -5.8374 -5.7834 -5.7834 -5.1234 -5.1232 -4.7580 -4.7559 -4.5382 -4.5365 -4.4235 -4.4235 -0.8932 -0.8931 -0.8194 -0.8190 -0.3832 -0.3816 -0.2934 -0.2934 -0.2196 -0.2169 -0.0123 -0.0110 6.3520 6.3524 6.4365 6.4366 7.2625 7.2634 8.0013 8.0030 8.6596 8.6602 k = 0.2625 0.2625 0.5940 ( 5350 PWs) bands (ev): -20.2630 -20.2630 -20.2016 -20.2016 -17.2111 -17.2110 -17.0382 -17.0382 -15.7326 -15.7326 -15.7102 -15.7102 -9.1546 -9.1545 -9.0434 -9.0432 -7.6845 -7.6845 -7.6752 -7.6750 -6.9298 -6.9291 -6.8617 -6.8615 -5.8379 -5.8373 -5.7819 -5.7819 -5.1245 -5.1243 -4.7459 -4.7446 -4.5456 -4.5444 -4.4232 -4.4232 -0.8920 -0.8919 -0.8189 -0.8185 -0.3930 -0.3911 -0.2924 -0.2924 -0.2300 -0.2272 -0.0111 -0.0098 6.3564 6.3568 6.4445 6.4445 7.2096 7.2105 7.9647 7.9665 8.6770 8.6777 k = 0.2500 0.2500 0.5940 ( 5358 PWs) bands (ev): -20.2657 -20.2656 -20.1990 -20.1990 -17.2186 -17.2185 -17.0312 -17.0311 -15.7320 -15.7320 -15.7095 -15.7095 -9.1600 -9.1598 -9.0400 -9.0398 -7.6832 -7.6831 -7.6738 -7.6736 -6.9315 -6.9310 -6.8604 -6.8601 -5.8370 -5.8368 -5.7804 -5.7804 -5.1253 -5.1252 -4.7399 -4.7394 -4.5495 -4.5488 -4.4229 -4.4229 -0.8893 -0.8891 -0.8181 -0.8177 -0.4038 -0.4017 -0.2913 -0.2913 -0.2394 -0.2364 -0.0104 -0.0090 6.3614 6.3617 6.4524 6.4525 7.1583 7.1593 7.9280 7.9299 8.6957 8.6963 k = 0.2375 0.2375 0.5940 ( 5350 PWs) bands (ev): -20.2683 -20.2683 -20.1964 -20.1964 -17.2260 -17.2260 -17.0241 -17.0240 -15.7314 -15.7314 -15.7090 -15.7090 -9.1651 -9.1649 -9.0365 -9.0363 -7.6819 -7.6818 -7.6725 -7.6723 -6.9328 -6.9323 -6.8589 -6.8586 -5.8358 -5.8356 -5.7789 -5.7789 -5.1258 -5.1257 -4.7412 -4.7409 -4.5489 -4.5488 -4.4226 -4.4226 -0.8852 -0.8850 -0.8171 -0.8167 -0.4156 -0.4134 -0.2901 -0.2901 -0.2475 -0.2445 -0.0101 -0.0088 6.3671 6.3674 6.4603 6.4603 7.1088 7.1098 7.8915 7.8934 8.7155 8.7162 k = 0.2250 0.2250 0.5940 ( 5366 PWs) bands (ev): -20.2709 -20.2709 -20.1938 -20.1938 -17.2333 -17.2333 -17.0169 -17.0169 -15.7308 -15.7308 -15.7088 -15.7087 -9.1700 -9.1698 -9.0328 -9.0326 -7.6806 -7.6805 -7.6713 -7.6712 -6.9336 -6.9332 -6.8572 -6.8568 -5.8343 -5.8338 -5.7774 -5.7774 -5.1261 -5.1260 -4.7499 -4.7487 -4.5445 -4.5441 -4.4223 -4.4222 -0.8796 -0.8794 -0.8157 -0.8153 -0.4285 -0.4262 -0.2888 -0.2888 -0.2544 -0.2513 -0.0103 -0.0090 6.3736 6.3738 6.4680 6.4680 7.0611 7.0621 7.8554 7.8573 8.7366 8.7373 k = 0.2125 0.2125 0.5940 ( 5366 PWs) bands (ev): -20.2735 -20.2735 -20.1912 -20.1912 -17.2404 -17.2404 -17.0098 -17.0097 -15.7302 -15.7302 -15.7088 -15.7088 -9.1746 -9.1744 -9.0290 -9.0288 -7.6793 -7.6793 -7.6703 -7.6701 -6.9340 -6.9336 -6.8552 -6.8549 -5.8323 -5.8314 -5.7760 -5.7759 -5.1261 -5.1260 -4.7644 -4.7626 -4.5367 -4.5359 -4.4219 -4.4219 -0.8727 -0.8724 -0.8140 -0.8135 -0.4423 -0.4400 -0.2875 -0.2875 -0.2600 -0.2569 -0.0110 -0.0096 6.3807 6.3808 6.4755 6.4756 7.0152 7.0162 7.8197 7.8217 8.7588 8.7596 k = 0.2000 0.2000 0.5940 ( 5380 PWs) bands (ev): -20.2760 -20.2760 -20.1887 -20.1887 -17.2473 -17.2473 -17.0027 -17.0026 -15.7296 -15.7296 -15.7091 -15.7091 -9.1789 -9.1787 -9.0251 -9.0250 -7.6780 -7.6780 -7.6694 -7.6693 -6.9339 -6.9336 -6.8531 -6.8527 -5.8299 -5.8286 -5.7745 -5.7745 -5.1258 -5.1258 -4.7834 -4.7810 -4.5267 -4.5256 -4.4215 -4.4215 -0.8646 -0.8643 -0.8120 -0.8114 -0.4569 -0.4546 -0.2861 -0.2861 -0.2643 -0.2613 -0.0121 -0.0108 6.3884 6.3885 6.4829 6.4829 6.9712 6.9723 7.7848 7.7867 8.7822 8.7830 k = 0.1875 0.1875 0.5940 ( 5380 PWs) bands (ev): -20.2785 -20.2785 -20.1863 -20.1863 -17.2540 -17.2539 -16.9956 -16.9956 -15.7290 -15.7290 -15.7097 -15.7097 -9.1830 -9.1828 -9.0212 -9.0211 -7.6768 -7.6768 -7.6687 -7.6685 -6.9335 -6.9332 -6.8508 -6.8503 -5.8268 -5.8253 -5.7731 -5.7731 -5.1253 -5.1253 -4.8056 -4.8029 -4.5155 -4.5143 -4.4211 -4.4211 -0.8555 -0.8552 -0.8095 -0.8089 -0.4721 -0.4699 -0.2847 -0.2846 -0.2676 -0.2647 -0.0136 -0.0123 6.3968 6.3968 6.4900 6.4900 6.9292 6.9304 7.7507 7.7526 8.8068 8.8076 k = 0.1750 0.1750 0.5940 ( 5388 PWs) bands (ev): -20.2809 -20.2808 -20.1839 -20.1839 -17.2603 -17.2603 -16.9887 -16.9887 -15.7284 -15.7284 -15.7104 -15.7104 -9.1868 -9.1866 -9.0173 -9.0172 -7.6756 -7.6756 -7.6681 -7.6679 -6.9327 -6.9325 -6.8483 -6.8478 -5.8233 -5.8215 -5.7717 -5.7717 -5.1246 -5.1246 -4.8301 -4.8271 -4.5040 -4.5027 -4.4207 -4.4207 -0.8455 -0.8452 -0.8066 -0.8060 -0.4879 -0.4857 -0.2833 -0.2832 -0.2698 -0.2670 -0.0155 -0.0142 6.4056 6.4057 6.4969 6.4969 6.8892 6.8905 7.7177 7.7196 8.8324 8.8333 k = 0.1625 0.1625 0.5940 ( 5388 PWs) bands (ev): -20.2831 -20.2831 -20.1816 -20.1816 -17.2664 -17.2664 -16.9820 -16.9820 -15.7279 -15.7279 -15.7114 -15.7114 -9.1902 -9.1901 -9.0134 -9.0133 -7.6745 -7.6745 -7.6676 -7.6674 -6.9317 -6.9315 -6.8456 -6.8451 -5.8193 -5.8172 -5.7704 -5.7704 -5.1237 -5.1237 -4.8561 -4.8529 -4.4925 -4.4913 -4.4202 -4.4202 -0.8349 -0.8346 -0.8033 -0.8026 -0.5039 -0.5018 -0.2818 -0.2817 -0.2711 -0.2686 -0.0177 -0.0164 6.4148 6.4151 6.5034 6.5034 6.8513 6.8526 7.6859 7.6877 8.8590 8.8599 k = 0.1500 0.1500 0.5940 ( 5388 PWs) bands (ev): -20.2853 -20.2853 -20.1795 -20.1794 -17.2721 -17.2721 -16.9755 -16.9755 -15.7274 -15.7274 -15.7125 -15.7125 -9.1934 -9.1933 -9.0096 -9.0094 -7.6734 -7.6734 -7.6672 -7.6670 -6.9304 -6.9303 -6.8428 -6.8423 -5.8149 -5.8125 -5.7691 -5.7691 -5.1226 -5.1226 -4.8830 -4.8797 -4.4816 -4.4804 -4.4198 -4.4198 -0.8239 -0.8236 -0.7994 -0.7987 -0.5202 -0.5181 -0.2804 -0.2802 -0.2716 -0.2693 -0.0201 -0.0189 6.4245 6.4249 6.5097 6.5097 6.8156 6.8170 7.6554 7.6571 8.8865 8.8875 k = 0.1375 0.1375 0.5940 ( 5392 PWs) bands (ev): -20.2874 -20.2874 -20.1774 -20.1774 -17.2774 -17.2774 -16.9693 -16.9693 -15.7269 -15.7269 -15.7137 -15.7137 -9.1963 -9.1962 -9.0059 -9.0057 -7.6724 -7.6724 -7.6669 -7.6668 -6.9290 -6.9289 -6.8398 -6.8393 -5.8100 -5.8074 -5.7679 -5.7679 -5.1215 -5.1214 -4.9102 -4.9069 -4.4713 -4.4702 -4.4194 -4.4193 -0.8128 -0.8126 -0.7950 -0.7942 -0.5364 -0.5344 -0.2790 -0.2787 -0.2715 -0.2695 -0.0228 -0.0216 6.4345 6.4350 6.5155 6.5155 6.7820 6.7835 7.6264 7.6280 8.8838 8.8847 k = 0.1250 0.1250 0.5940 ( 5396 PWs) bands (ev): -20.2893 -20.2893 -20.1755 -20.1755 -17.2824 -17.2824 -16.9635 -16.9634 -15.7264 -15.7264 -15.7150 -15.7150 -9.1989 -9.1988 -9.0023 -9.0021 -7.6715 -7.6715 -7.6667 -7.6666 -6.9275 -6.9274 -6.8369 -6.8364 -5.8047 -5.8021 -5.7668 -5.7668 -5.1203 -5.1202 -4.9373 -4.9340 -4.4618 -4.4608 -4.4189 -4.4189 -0.8019 -0.8017 -0.7900 -0.7890 -0.5525 -0.5506 -0.2777 -0.2772 -0.2708 -0.2691 -0.0256 -0.0245 6.4447 6.4454 6.5210 6.5210 6.7506 6.7522 7.5990 7.6006 8.8687 8.8695 k = 0.1125 0.1125 0.5940 ( 5406 PWs) bands (ev): -20.2911 -20.2911 -20.1737 -20.1737 -17.2870 -17.2869 -16.9580 -16.9580 -15.7260 -15.7260 -15.7164 -15.7164 -9.2013 -9.2011 -8.9988 -8.9987 -7.6706 -7.6706 -7.6666 -7.6665 -6.9260 -6.9259 -6.8339 -6.8334 -5.7991 -5.7964 -5.7658 -5.7658 -5.1191 -5.1190 -4.9638 -4.9606 -4.4532 -4.4523 -4.4185 -4.4185 -0.7917 -0.7917 -0.7841 -0.7829 -0.5684 -0.5666 -0.2764 -0.2758 -0.2698 -0.2683 -0.0285 -0.0274 6.4551 6.4559 6.5260 6.5260 6.7215 6.7231 7.5736 7.5751 8.8531 8.8538 k = 0.1000 0.1000 0.5940 ( 5408 PWs) bands (ev): -20.2927 -20.2927 -20.1721 -20.1721 -17.2911 -17.2911 -16.9529 -16.9529 -15.7256 -15.7256 -15.7177 -15.7177 -9.2033 -9.2032 -8.9957 -8.9956 -7.6698 -7.6698 -7.6665 -7.6664 -6.9245 -6.9244 -6.8310 -6.8305 -5.7934 -5.7907 -5.7648 -5.7648 -5.1180 -5.1178 -4.9892 -4.9861 -4.4455 -4.4447 -4.4182 -4.4181 -0.7831 -0.7831 -0.7766 -0.7754 -0.5838 -0.5821 -0.2751 -0.2744 -0.2685 -0.2673 -0.0314 -0.0304 6.4656 6.4665 6.5306 6.5306 6.6946 6.6963 7.5501 7.5515 8.8376 8.8381 k = 0.0875 0.0875 0.5940 ( 5416 PWs) bands (ev): -20.2941 -20.2941 -20.1706 -20.1706 -17.2948 -17.2947 -16.9484 -16.9484 -15.7253 -15.7253 -15.7190 -15.7190 -9.2051 -9.2050 -8.9927 -8.9927 -7.6691 -7.6691 -7.6665 -7.6664 -6.9230 -6.9230 -6.8282 -6.8277 -5.7876 -5.7849 -5.7640 -5.7640 -5.1170 -5.1167 -5.0130 -5.0102 -4.4387 -4.4381 -4.4178 -4.4177 -0.7758 -0.7757 -0.7679 -0.7669 -0.5988 -0.5972 -0.2737 -0.2731 -0.2671 -0.2661 -0.0342 -0.0333 6.4760 6.4772 6.5346 6.5347 6.6699 6.6718 7.5289 7.5301 8.8225 8.8230 k = 0.0750 0.0750 0.5940 ( 5404 PWs) bands (ev): -20.2954 -20.2954 -20.1693 -20.1693 -17.2980 -17.2979 -16.9443 -16.9443 -15.7250 -15.7250 -15.7202 -15.7202 -9.2066 -9.2065 -8.9901 -8.9900 -7.6685 -7.6685 -7.6665 -7.6664 -6.9217 -6.9216 -6.8256 -6.8251 -5.7819 -5.7794 -5.7632 -5.7632 -5.1161 -5.1158 -5.0347 -5.0322 -4.4329 -4.4324 -4.4174 -4.4173 -0.7690 -0.7687 -0.7594 -0.7585 -0.6132 -0.6117 -0.2724 -0.2718 -0.2657 -0.2649 -0.0368 -0.0360 6.4865 6.4878 6.5383 6.5383 6.6474 6.6494 7.5100 7.5111 8.8085 8.8089 k = 0.0625 0.0625 0.5940 ( 5412 PWs) bands (ev): -20.2965 -20.2965 -20.1682 -20.1682 -17.3007 -17.3007 -16.9408 -16.9408 -15.7247 -15.7247 -15.7213 -15.7213 -9.2079 -9.2078 -8.9878 -8.9878 -7.6680 -7.6679 -7.6665 -7.6665 -6.9205 -6.9205 -6.8232 -6.8228 -5.7765 -5.7742 -5.7626 -5.7626 -5.1155 -5.1152 -5.0538 -5.0517 -4.4280 -4.4276 -4.4171 -4.4170 -0.7622 -0.7619 -0.7516 -0.7508 -0.6267 -0.6253 -0.2712 -0.2707 -0.2644 -0.2637 -0.0392 -0.0385 6.4969 6.4984 6.5413 6.5414 6.6271 6.6291 7.4937 7.4946 8.7958 8.7961 k = 0.0500 0.0500 0.5940 ( 5400 PWs) bands (ev): -20.2974 -20.2974 -20.1673 -20.1673 -17.3030 -17.3029 -16.9379 -16.9379 -15.7245 -15.7245 -15.7223 -15.7223 -9.2090 -9.2089 -8.9859 -8.9859 -7.6675 -7.6675 -7.6666 -7.6665 -6.9194 -6.9194 -6.8212 -6.8208 -5.7716 -5.7696 -5.7620 -5.7620 -5.1154 -5.1149 -5.0698 -5.0681 -4.4241 -4.4238 -4.4168 -4.4166 -0.7554 -0.7551 -0.7448 -0.7440 -0.6393 -0.6380 -0.2700 -0.2696 -0.2632 -0.2626 -0.0412 -0.0406 6.5072 6.5089 6.5439 6.5439 6.6087 6.6108 7.4801 7.4809 8.7850 8.7852 k = 0.0375 0.0375 0.5940 ( 5404 PWs) bands (ev): -20.2981 -20.2981 -20.1666 -20.1666 -17.3047 -17.3047 -16.9356 -16.9356 -15.7243 -15.7243 -15.7230 -15.7230 -9.2098 -9.2097 -8.9844 -8.9843 -7.6672 -7.6671 -7.6666 -7.6666 -6.9186 -6.9186 -6.8195 -6.8192 -5.7674 -5.7659 -5.7616 -5.7616 -5.1158 -5.1152 -5.0820 -5.0809 -4.4212 -4.4211 -4.4164 -4.4162 -0.7491 -0.7489 -0.7390 -0.7383 -0.6504 -0.6493 -0.2691 -0.2688 -0.2622 -0.2618 -0.0429 -0.0424 6.5176 6.5195 6.5459 6.5459 6.5922 6.5944 7.4694 7.4700 8.7762 8.7764 k = 0.0250 0.0250 0.5940 ( 5388 PWs) bands (ev): -20.2986 -20.2986 -20.1661 -20.1661 -17.3060 -17.3060 -16.9339 -16.9339 -15.7242 -15.7242 -15.7236 -15.7236 -9.2103 -9.2103 -8.9833 -8.9832 -7.6669 -7.6669 -7.6666 -7.6666 -6.9180 -6.9180 -6.8182 -6.8181 -5.7641 -5.7631 -5.7613 -5.7613 -5.1168 -5.1162 -5.0902 -5.0896 -4.4193 -4.4193 -4.4159 -4.4156 -0.7438 -0.7437 -0.7343 -0.7336 -0.6596 -0.6587 -0.2684 -0.2682 -0.2614 -0.2611 -0.0441 -0.0438 6.5282 6.5302 6.5473 6.5473 6.5774 6.5796 7.4616 7.4620 8.7698 8.7699 k = 0.0125 0.0125 0.5940 ( 5372 PWs) bands (ev): -20.2989 -20.2989 -20.1658 -20.1658 -17.3067 -17.3067 -16.9329 -16.9329 -15.7241 -15.7241 -15.7240 -15.7240 -9.2106 -9.2106 -8.9826 -8.9826 -7.6667 -7.6667 -7.6666 -7.6666 -6.9176 -6.9176 -6.8174 -6.8174 -5.7621 -5.7615 -5.7610 -5.7610 -5.1179 -5.1176 -5.0946 -5.0944 -4.4184 -4.4184 -4.4153 -4.4152 -0.7404 -0.7404 -0.7308 -0.7304 -0.6658 -0.6653 -0.2679 -0.2678 -0.2609 -0.2607 -0.0448 -0.0446 6.5389 6.5409 6.5482 6.5482 6.5641 6.5662 7.4570 7.4572 8.7659 8.7660 k = 0.0000 0.0000 0.5940 ( 5364 PWs) bands (ev): -20.2990 -20.2990 -20.1657 -20.1657 -17.3070 -17.3070 -16.9326 -16.9326 -15.7241 -15.7241 -15.7240 -15.7240 -9.2107 -9.2107 -8.9824 -8.9824 -7.6667 -7.6667 -7.6666 -7.6666 -6.9175 -6.9175 -6.8171 -6.8171 -5.7613 -5.7613 -5.7608 -5.7608 -5.1183 -5.1183 -5.0959 -5.0959 -4.4182 -4.4182 -4.4150 -4.4150 -0.7392 -0.7392 -0.7293 -0.7293 -0.6679 -0.6679 -0.2677 -0.2677 -0.2607 -0.2607 -0.0449 -0.0449 6.5480 6.5480 6.5486 6.5486 6.5561 6.5561 7.4555 7.4555 8.7646 8.7646 k = 0.0000 0.5000-0.0000 ( 5356 PWs) bands (ev): -20.3281 -20.3281 -20.3281 -20.3281 -16.8547 -16.8547 -16.8547 -16.8547 -15.7517 -15.7517 -15.7517 -15.7517 -9.3891 -9.3891 -9.3885 -9.3885 -7.9429 -7.9429 -7.9413 -7.9413 -7.3510 -7.3510 -7.3493 -7.3493 -5.4541 -5.4541 -5.4519 -5.4519 -4.6956 -4.6956 -4.6949 -4.6949 -3.7208 -3.7208 -3.7203 -3.7203 -1.0194 -1.0194 -1.0189 -1.0189 -0.5959 -0.5959 -0.5957 -0.5957 -0.1554 -0.1554 -0.1547 -0.1547 5.8930 5.8930 5.8933 5.8933 6.9034 6.9034 6.9035 6.9035 9.0376 9.0377 k = 0.0000 0.5000 0.0175 ( 5354 PWs) bands (ev): -20.3279 -20.3279 -20.3279 -20.3279 -16.8553 -16.8553 -16.8553 -16.8553 -15.7516 -15.7516 -15.7516 -15.7516 -9.3883 -9.3883 -9.3878 -9.3878 -7.9417 -7.9417 -7.9401 -7.9401 -7.3516 -7.3516 -7.3499 -7.3499 -5.4542 -5.4542 -5.4521 -5.4521 -4.6956 -4.6956 -4.6949 -4.6949 -3.7226 -3.7226 -3.7220 -3.7220 -1.0180 -1.0180 -1.0175 -1.0175 -0.5967 -0.5967 -0.5963 -0.5963 -0.1553 -0.1553 -0.1546 -0.1546 5.8940 5.8940 5.8944 5.8944 6.9048 6.9048 6.9049 6.9049 9.0379 9.0380 k = 0.0000 0.5000 0.0349 ( 5358 PWs) bands (ev): -20.3274 -20.3274 -20.3273 -20.3273 -16.8571 -16.8571 -16.8571 -16.8571 -15.7513 -15.7513 -15.7513 -15.7513 -9.3862 -9.3862 -9.3857 -9.3857 -7.9382 -7.9382 -7.9366 -7.9366 -7.3534 -7.3534 -7.3517 -7.3517 -5.4548 -5.4548 -5.4526 -5.4526 -4.6959 -4.6959 -4.6951 -4.6951 -3.7279 -3.7279 -3.7273 -3.7273 -1.0140 -1.0140 -1.0134 -1.0134 -0.5988 -0.5988 -0.5981 -0.5981 -0.1552 -0.1552 -0.1545 -0.1545 5.8971 5.8971 5.8974 5.8974 6.9091 6.9091 6.9092 6.9092 9.0388 9.0391 k = 0.0000 0.5000 0.0524 ( 5354 PWs) bands (ev): -20.3264 -20.3264 -20.3264 -20.3264 -16.8601 -16.8601 -16.8601 -16.8601 -15.7508 -15.7508 -15.7508 -15.7508 -9.3826 -9.3826 -9.3821 -9.3821 -7.9323 -7.9323 -7.9307 -7.9307 -7.3564 -7.3564 -7.3547 -7.3547 -5.4557 -5.4557 -5.4535 -5.4535 -4.6962 -4.6962 -4.6954 -4.6954 -3.7368 -3.7368 -3.7360 -3.7360 -1.0074 -1.0074 -1.0066 -1.0066 -0.6023 -0.6023 -0.6013 -0.6013 -0.1550 -0.1550 -0.1543 -0.1543 5.9021 5.9021 5.9025 5.9025 6.9161 6.9161 6.9163 6.9163 9.0403 9.0407 k = 0.0000 0.5000 0.0699 ( 5364 PWs) bands (ev): -20.3251 -20.3251 -20.3250 -20.3250 -16.8643 -16.8643 -16.8643 -16.8643 -15.7502 -15.7502 -15.7501 -15.7501 -9.3778 -9.3778 -9.3772 -9.3772 -7.9241 -7.9241 -7.9225 -7.9225 -7.3605 -7.3605 -7.3588 -7.3588 -5.4569 -5.4569 -5.4548 -5.4548 -4.6967 -4.6967 -4.6958 -4.6958 -3.7491 -3.7491 -3.7482 -3.7482 -0.9982 -0.9982 -0.9971 -0.9971 -0.6070 -0.6070 -0.6056 -0.6056 -0.1548 -0.1548 -0.1539 -0.1539 5.9091 5.9091 5.9095 5.9095 6.9258 6.9258 6.9261 6.9261 9.0423 9.0428 k = 0.0000 0.5000 0.0874 ( 5348 PWs) bands (ev): -20.3234 -20.3234 -20.3233 -20.3233 -16.8696 -16.8696 -16.8696 -16.8696 -15.7493 -15.7493 -15.7493 -15.7493 -9.3715 -9.3715 -9.3710 -9.3710 -7.9136 -7.9136 -7.9119 -7.9119 -7.3657 -7.3657 -7.3639 -7.3639 -5.4586 -5.4586 -5.4565 -5.4565 -4.6974 -4.6974 -4.6963 -4.6963 -3.7647 -3.7647 -3.7636 -3.7636 -0.9864 -0.9864 -0.9851 -0.9851 -0.6129 -0.6129 -0.6112 -0.6112 -0.1544 -0.1544 -0.1535 -0.1535 5.9181 5.9181 5.9185 5.9185 6.9382 6.9382 6.9385 6.9385 9.0448 9.0452 k = 0.0000 0.5000 0.1048 ( 5356 PWs) bands (ev): -20.3213 -20.3213 -20.3213 -20.3213 -16.8760 -16.8760 -16.8760 -16.8760 -15.7483 -15.7483 -15.7482 -15.7482 -9.3642 -9.3642 -9.3637 -9.3637 -7.9007 -7.9007 -7.8990 -7.8990 -7.3718 -7.3718 -7.3700 -7.3700 -5.4607 -5.4607 -5.4586 -5.4586 -4.6982 -4.6982 -4.6970 -4.6970 -3.7835 -3.7835 -3.7823 -3.7823 -0.9723 -0.9723 -0.9707 -0.9707 -0.6199 -0.6199 -0.6178 -0.6178 -0.1539 -0.1539 -0.1530 -0.1530 5.9288 5.9288 5.9293 5.9293 6.9530 6.9530 6.9533 6.9533 9.0477 9.0484 k = 0.0000 0.5000 0.1223 ( 5354 PWs) bands (ev): -20.3189 -20.3189 -20.3189 -20.3189 -16.8834 -16.8834 -16.8834 -16.8834 -15.7471 -15.7471 -15.7471 -15.7471 -9.3556 -9.3556 -9.3552 -9.3552 -7.8856 -7.8856 -7.8838 -7.8838 -7.3789 -7.3789 -7.3770 -7.3770 -5.4634 -5.4634 -5.4612 -5.4612 -4.6992 -4.6992 -4.6978 -4.6978 -3.8054 -3.8054 -3.8041 -3.8041 -0.9560 -0.9560 -0.9540 -0.9540 -0.6280 -0.6280 -0.6254 -0.6254 -0.1534 -0.1534 -0.1523 -0.1523 5.9413 5.9413 5.9418 5.9418 6.9701 6.9701 6.9705 6.9705 9.0510 9.0522 k = 0.0000 0.5000 0.1398 ( 5362 PWs) bands (ev): -20.3162 -20.3162 -20.3162 -20.3162 -16.8917 -16.8917 -16.8917 -16.8917 -15.7458 -15.7458 -15.7457 -15.7457 -9.3461 -9.3461 -9.3457 -9.3457 -7.8682 -7.8682 -7.8663 -7.8663 -7.3867 -7.3867 -7.3847 -7.3847 -5.4665 -5.4665 -5.4643 -5.4643 -4.7003 -4.7003 -4.6987 -4.6987 -3.8303 -3.8303 -3.8288 -3.8288 -0.9378 -0.9378 -0.9353 -0.9353 -0.6370 -0.6370 -0.6339 -0.6339 -0.1527 -0.1527 -0.1515 -0.1515 5.9555 5.9555 5.9561 5.9561 6.9893 6.9893 6.9898 6.9898 9.0543 9.0546 k = 0.0000 0.5000 0.1572 ( 5358 PWs) bands (ev): -20.3133 -20.3133 -20.3132 -20.3132 -16.9010 -16.9010 -16.9009 -16.9009 -15.7443 -15.7443 -15.7443 -15.7443 -9.3357 -9.3357 -9.3353 -9.3353 -7.8486 -7.8486 -7.8467 -7.8467 -7.3950 -7.3950 -7.3930 -7.3930 -5.4702 -5.4702 -5.4681 -5.4681 -4.7015 -4.7015 -4.6998 -4.6998 -3.8579 -3.8579 -3.8562 -3.8562 -0.9178 -0.9178 -0.9148 -0.9148 -0.6468 -0.6468 -0.6430 -0.6430 -0.1518 -0.1518 -0.1506 -0.1506 5.9713 5.9713 5.9719 5.9719 7.0105 7.0105 7.0110 7.0110 9.0576 9.0589 k = 0.0000 0.5000 0.1747 ( 5360 PWs) bands (ev): -20.3100 -20.3100 -20.3100 -20.3100 -16.9110 -16.9110 -16.9109 -16.9109 -15.7427 -15.7427 -15.7427 -15.7427 -9.3246 -9.3246 -9.3241 -9.3241 -7.8270 -7.8270 -7.8250 -7.8250 -7.4038 -7.4038 -7.4016 -7.4016 -5.4746 -5.4746 -5.4724 -5.4724 -4.7029 -4.7029 -4.7011 -4.7011 -3.8880 -3.8880 -3.8862 -3.8862 -0.8964 -0.8964 -0.8927 -0.8927 -0.6571 -0.6571 -0.6526 -0.6526 -0.1508 -0.1508 -0.1496 -0.1496 5.9885 5.9885 5.9891 5.9891 7.0333 7.0333 7.0339 7.0339 9.0605 9.0618 k = 0.0000 0.5000 0.1922 ( 5372 PWs) bands (ev): -20.3065 -20.3065 -20.3064 -20.3064 -16.9217 -16.9217 -16.9217 -16.9217 -15.7411 -15.7411 -15.7410 -15.7410 -9.3128 -9.3128 -9.3124 -9.3124 -7.8035 -7.8035 -7.8013 -7.8013 -7.4127 -7.4127 -7.4104 -7.4104 -5.4798 -5.4798 -5.4776 -5.4776 -4.7045 -4.7045 -4.7025 -4.7025 -3.9205 -3.9205 -3.9185 -3.9185 -0.8740 -0.8740 -0.8694 -0.8694 -0.6677 -0.6677 -0.6622 -0.6622 -0.1497 -0.1497 -0.1484 -0.1484 6.0070 6.0070 6.0076 6.0076 7.0577 7.0577 7.0583 7.0583 9.0629 9.0635 k = 0.0000 0.5000 0.2097 ( 5380 PWs) bands (ev): -20.3027 -20.3027 -20.3027 -20.3027 -16.9330 -16.9330 -16.9330 -16.9330 -15.7393 -15.7393 -15.7392 -15.7392 -9.3006 -9.3006 -9.3001 -9.3001 -7.7783 -7.7783 -7.7760 -7.7760 -7.4215 -7.4215 -7.4190 -7.4190 -5.4858 -5.4858 -5.4835 -5.4835 -4.7062 -4.7062 -4.7040 -4.7040 -3.9549 -3.9549 -3.9528 -3.9528 -0.8514 -0.8514 -0.8455 -0.8455 -0.6781 -0.6781 -0.6713 -0.6713 -0.1485 -0.1485 -0.1470 -0.1470 6.0267 6.0267 6.0273 6.0273 7.0833 7.0833 7.0840 7.0840 9.0640 9.0642 k = 0.0000 0.5000 0.2271 ( 5364 PWs) bands (ev): -20.2988 -20.2988 -20.2987 -20.2987 -16.9448 -16.9448 -16.9448 -16.9448 -15.7375 -15.7375 -15.7374 -15.7374 -9.2879 -9.2879 -9.2875 -9.2875 -7.7519 -7.7519 -7.7493 -7.7493 -7.4296 -7.4296 -7.4270 -7.4270 -5.4926 -5.4926 -5.4904 -5.4904 -4.7082 -4.7082 -4.7058 -4.7058 -3.9911 -3.9911 -3.9888 -3.9888 -0.8295 -0.8295 -0.8220 -0.8220 -0.6875 -0.6875 -0.6788 -0.6788 -0.1471 -0.1471 -0.1455 -0.1455 6.0474 6.0474 6.0481 6.0481 7.1099 7.1099 7.1107 7.1107 9.0637 9.0640 k = 0.0000 0.5000 0.2446 ( 5372 PWs) bands (ev): -20.2947 -20.2947 -20.2946 -20.2946 -16.9571 -16.9571 -16.9570 -16.9570 -15.7356 -15.7356 -15.7355 -15.7355 -9.2751 -9.2751 -9.2746 -9.2746 -7.7247 -7.7247 -7.7219 -7.7219 -7.4366 -7.4366 -7.4337 -7.4337 -5.5005 -5.5005 -5.4983 -5.4983 -4.7103 -4.7103 -4.7077 -4.7077 -4.0287 -4.0287 -4.0262 -4.0262 -0.8103 -0.8103 -0.8006 -0.8006 -0.6942 -0.6942 -0.6833 -0.6833 -0.1455 -0.1455 -0.1439 -0.1439 6.0689 6.0689 6.0696 6.0696 7.1373 7.1373 7.1381 7.1381 9.0614 9.0624 k = 0.0000 0.5000 0.2621 ( 5376 PWs) bands (ev): -20.2904 -20.2904 -20.2904 -20.2904 -16.9696 -16.9696 -16.9696 -16.9696 -15.7337 -15.7337 -15.7336 -15.7336 -9.2621 -9.2621 -9.2617 -9.2617 -7.6977 -7.6977 -7.6947 -7.6947 -7.4413 -7.4413 -7.4382 -7.4382 -5.5095 -5.5095 -5.5072 -5.5072 -4.7126 -4.7126 -4.7099 -4.7099 -4.0673 -4.0673 -4.0647 -4.0647 -0.7964 -0.7964 -0.7849 -0.7849 -0.6947 -0.6947 -0.6819 -0.6819 -0.1438 -0.1438 -0.1421 -0.1421 6.0912 6.0912 6.0919 6.0919 7.1653 7.1653 7.1662 7.1662 9.0565 9.0569 k = 0.0000 0.5000 0.2795 ( 5378 PWs) bands (ev): -20.2861 -20.2861 -20.2861 -20.2861 -16.9823 -16.9823 -16.9823 -16.9823 -15.7317 -15.7317 -15.7316 -15.7316 -9.2493 -9.2493 -9.2488 -9.2488 -7.6723 -7.6723 -7.6690 -7.6690 -7.4425 -7.4425 -7.4391 -7.4391 -5.5197 -5.5197 -5.5175 -5.5175 -4.7152 -4.7152 -4.7123 -4.7123 -4.1067 -4.1067 -4.1038 -4.1038 -0.7901 -0.7901 -0.7787 -0.7787 -0.6854 -0.6854 -0.6726 -0.6726 -0.1420 -0.1420 -0.1402 -0.1402 6.1141 6.1141 6.1148 6.1148 7.1937 7.1937 7.1946 7.1946 9.0486 9.0490 k = 0.0000 0.5000 0.2970 ( 5370 PWs) bands (ev): -20.2817 -20.2817 -20.2817 -20.2817 -16.9951 -16.9951 -16.9951 -16.9951 -15.7298 -15.7298 -15.7297 -15.7297 -9.2365 -9.2365 -9.2361 -9.2361 -7.6501 -7.6501 -7.6467 -7.6467 -7.4384 -7.4384 -7.4348 -7.4348 -5.5313 -5.5313 -5.5290 -5.5290 -4.7180 -4.7180 -4.7149 -4.7149 -4.1463 -4.1463 -4.1433 -4.1433 -0.7913 -0.7913 -0.7816 -0.7816 -0.6667 -0.6667 -0.6556 -0.6556 -0.1400 -0.1400 -0.1382 -0.1382 6.1373 6.1373 6.1380 6.1380 7.2223 7.2223 7.2232 7.2232 9.0366 9.0384 k = 0.0000 0.5000 0.3145 ( 5366 PWs) bands (ev): -20.2773 -20.2773 -20.2773 -20.2773 -17.0079 -17.0079 -17.0079 -17.0079 -15.7278 -15.7278 -15.7278 -15.7278 -9.2240 -9.2240 -9.2236 -9.2236 -7.6332 -7.6332 -7.6298 -7.6298 -7.4268 -7.4268 -7.4232 -7.4232 -5.5443 -5.5443 -5.5421 -5.5421 -4.7211 -4.7211 -4.7178 -4.7178 -4.1858 -4.1858 -4.1826 -4.1826 -0.7975 -0.7975 -0.7897 -0.7897 -0.6429 -0.6429 -0.6336 -0.6336 -0.1379 -0.1379 -0.1360 -0.1360 6.1607 6.1607 6.1614 6.1614 7.2508 7.2508 7.2518 7.2518 9.0212 9.0227 k = 0.0000 0.5000 0.3320 ( 5366 PWs) bands (ev): -20.2729 -20.2729 -20.2729 -20.2729 -17.0206 -17.0206 -17.0205 -17.0205 -15.7260 -15.7260 -15.7259 -15.7259 -9.2119 -9.2119 -9.2115 -9.2115 -7.6227 -7.6227 -7.6196 -7.6196 -7.4067 -7.4067 -7.4034 -7.4034 -5.5589 -5.5589 -5.5567 -5.5567 -4.7245 -4.7245 -4.7210 -4.7210 -4.2248 -4.2248 -4.2214 -4.2214 -0.8065 -0.8065 -0.8002 -0.8002 -0.6168 -0.6168 -0.6089 -0.6089 -0.1356 -0.1356 -0.1336 -0.1336 6.1841 6.1841 6.1848 6.1848 7.2791 7.2791 7.2801 7.2801 9.0019 9.0032 k = 0.0000 0.5000 0.3494 ( 5370 PWs) bands (ev): -20.2685 -20.2685 -20.2685 -20.2685 -17.0330 -17.0330 -17.0329 -17.0329 -15.7241 -15.7241 -15.7240 -15.7240 -9.2002 -9.2002 -9.1999 -9.1999 -7.6182 -7.6182 -7.6155 -7.6155 -7.3787 -7.3787 -7.3758 -7.3758 -5.5750 -5.5750 -5.5729 -5.5729 -4.7282 -4.7282 -4.7245 -4.7245 -4.2628 -4.2628 -4.2592 -4.2592 -0.8168 -0.8168 -0.8116 -0.8116 -0.5900 -0.5900 -0.5832 -0.5832 -0.1333 -0.1333 -0.1312 -0.1312 6.2073 6.2073 6.2080 6.2080 7.3071 7.3071 7.3081 7.3081 8.9789 8.9812 k = 0.0000 0.5000 0.3669 ( 5346 PWs) bands (ev): -20.2643 -20.2643 -20.2642 -20.2642 -17.0451 -17.0451 -17.0450 -17.0450 -15.7223 -15.7223 -15.7222 -15.7222 -9.1891 -9.1891 -9.1887 -9.1887 -7.6184 -7.6184 -7.6161 -7.6161 -7.3446 -7.3446 -7.3421 -7.3421 -5.5929 -5.5929 -5.5908 -5.5908 -4.7323 -4.7323 -4.7283 -4.7283 -4.2993 -4.2993 -4.2956 -4.2956 -0.8276 -0.8276 -0.8234 -0.8234 -0.5634 -0.5634 -0.5574 -0.5574 -0.1308 -0.1308 -0.1286 -0.1286 6.2301 6.2301 6.2308 6.2308 7.3345 7.3345 7.3355 7.3355 8.9526 8.9532 k = 0.0000 0.5000 0.3844 ( 5354 PWs) bands (ev): -20.2601 -20.2601 -20.2601 -20.2601 -17.0567 -17.0567 -17.0566 -17.0566 -15.7206 -15.7206 -15.7205 -15.7205 -9.1786 -9.1786 -9.1782 -9.1782 -7.6216 -7.6216 -7.6197 -7.6197 -7.3061 -7.3061 -7.3039 -7.3039 -5.6124 -5.6124 -5.6104 -5.6104 -4.7366 -4.7366 -4.7325 -4.7325 -4.3340 -4.3340 -4.3301 -4.3301 -0.8385 -0.8385 -0.8350 -0.8350 -0.5374 -0.5374 -0.5320 -0.5320 -0.1282 -0.1282 -0.1259 -0.1259 6.2524 6.2524 6.2531 6.2531 7.3613 7.3613 7.3623 7.3623 8.9236 8.9250 k = 0.0000 0.5000 0.4018 ( 5348 PWs) bands (ev): -20.2562 -20.2562 -20.2561 -20.2561 -17.0678 -17.0678 -17.0677 -17.0677 -15.7189 -15.7189 -15.7189 -15.7189 -9.1687 -9.1687 -9.1684 -9.1684 -7.6266 -7.6266 -7.6251 -7.6251 -7.2648 -7.2648 -7.2630 -7.2630 -5.6335 -5.6335 -5.6315 -5.6315 -4.7413 -4.7413 -4.7371 -4.7371 -4.3665 -4.3665 -4.3624 -4.3624 -0.8492 -0.8492 -0.8462 -0.8462 -0.5125 -0.5125 -0.5076 -0.5076 -0.1255 -0.1255 -0.1232 -0.1232 6.2739 6.2739 6.2746 6.2746 7.3872 7.3872 7.3882 7.3882 8.8926 8.8942 k = 0.0000 0.5000 0.4193 ( 5346 PWs) bands (ev): -20.2524 -20.2524 -20.2524 -20.2524 -17.0782 -17.0782 -17.0782 -17.0782 -15.7174 -15.7174 -15.7173 -15.7173 -9.1595 -9.1595 -9.1592 -9.1592 -7.6327 -7.6327 -7.6314 -7.6314 -7.2220 -7.2220 -7.2204 -7.2204 -5.6561 -5.6561 -5.6542 -5.6542 -4.7463 -4.7463 -4.7420 -4.7420 -4.3963 -4.3963 -4.3921 -4.3921 -0.8595 -0.8595 -0.8569 -0.8569 -0.4890 -0.4890 -0.4845 -0.4845 -0.1227 -0.1227 -0.1204 -0.1204 6.2944 6.2944 6.2951 6.2951 7.4121 7.4121 7.4130 7.4130 8.8604 8.8612 k = 0.0000 0.5000 0.4368 ( 5350 PWs) bands (ev): -20.2489 -20.2489 -20.2489 -20.2489 -17.0880 -17.0880 -17.0879 -17.0879 -15.7160 -15.7160 -15.7159 -15.7159 -9.1512 -9.1512 -9.1508 -9.1508 -7.6391 -7.6391 -7.6380 -7.6380 -7.1787 -7.1787 -7.1772 -7.1772 -5.6798 -5.6798 -5.6780 -5.6780 -4.7516 -4.7516 -4.7472 -4.7472 -4.4233 -4.4233 -4.4190 -4.4190 -0.8691 -0.8691 -0.8669 -0.8669 -0.4672 -0.4672 -0.4630 -0.4630 -0.1199 -0.1199 -0.1175 -0.1175 6.3138 6.3138 6.3144 6.3144 7.4358 7.4358 7.4367 7.4367 8.8280 8.8285 k = 0.0000 0.5000 0.4543 ( 5354 PWs) bands (ev): -20.2457 -20.2457 -20.2456 -20.2456 -17.0969 -17.0969 -17.0969 -17.0969 -15.7147 -15.7147 -15.7146 -15.7146 -9.1436 -9.1436 -9.1433 -9.1433 -7.6455 -7.6455 -7.6446 -7.6446 -7.1357 -7.1357 -7.1345 -7.1345 -5.7043 -5.7043 -5.7026 -5.7026 -4.7570 -4.7570 -4.7526 -4.7526 -4.4472 -4.4472 -4.4429 -4.4429 -0.8780 -0.8780 -0.8761 -0.8761 -0.4472 -0.4472 -0.4433 -0.4433 -0.1171 -0.1171 -0.1147 -0.1147 6.3318 6.3318 6.3323 6.3323 7.4580 7.4580 7.4589 7.4589 8.7960 8.7962 k = 0.0000 0.5000 0.4717 ( 5342 PWs) bands (ev): -20.2427 -20.2427 -20.2427 -20.2427 -17.1050 -17.1050 -17.1049 -17.1049 -15.7135 -15.7135 -15.7134 -15.7134 -9.1368 -9.1368 -9.1365 -9.1365 -7.6515 -7.6515 -7.6508 -7.6508 -7.0942 -7.0942 -7.0930 -7.0930 -5.7291 -5.7291 -5.7275 -5.7275 -4.7624 -4.7624 -4.7581 -4.7581 -4.4680 -4.4680 -4.4636 -4.4636 -0.8861 -0.8861 -0.8844 -0.8844 -0.4293 -0.4293 -0.4256 -0.4256 -0.1143 -0.1143 -0.1120 -0.1120 6.3482 6.3482 6.3487 6.3487 7.4787 7.4787 7.4795 7.4795 8.7655 8.7656 k = 0.0000 0.5000 0.4892 ( 5340 PWs) bands (ev): -20.2401 -20.2401 -20.2401 -20.2401 -17.1121 -17.1121 -17.1121 -17.1121 -15.7125 -15.7125 -15.7124 -15.7124 -9.1309 -9.1309 -9.1306 -9.1306 -7.6571 -7.6571 -7.6565 -7.6565 -7.0549 -7.0549 -7.0538 -7.0538 -5.7535 -5.7535 -5.7520 -5.7520 -4.7676 -4.7676 -4.7634 -4.7634 -4.4856 -4.4856 -4.4813 -4.4813 -0.8932 -0.8932 -0.8918 -0.8918 -0.4135 -0.4135 -0.4101 -0.4101 -0.1117 -0.1117 -0.1093 -0.1093 6.3629 6.3629 6.3633 6.3633 7.4975 7.4975 7.4982 7.4982 8.7371 8.7372 k = 0.0000 0.5000 0.5067 ( 5360 PWs) bands (ev): -20.2378 -20.2378 -20.2378 -20.2378 -17.1183 -17.1183 -17.1182 -17.1182 -15.7116 -15.7116 -15.7115 -15.7115 -9.1259 -9.1259 -9.1256 -9.1256 -7.6621 -7.6621 -7.6615 -7.6615 -7.0189 -7.0189 -7.0179 -7.0179 -5.7766 -5.7766 -5.7753 -5.7753 -4.7725 -4.7725 -4.7685 -4.7685 -4.5001 -4.5001 -4.4959 -4.4959 -0.8994 -0.8994 -0.8982 -0.8982 -0.4001 -0.4001 -0.3969 -0.3969 -0.1093 -0.1093 -0.1069 -0.1069 6.3756 6.3756 6.3760 6.3760 7.5140 7.5140 7.5147 7.5147 8.7116 8.7116 k = 0.0000 0.5000 0.5241 ( 5364 PWs) bands (ev): -20.2360 -20.2360 -20.2359 -20.2359 -17.1234 -17.1234 -17.1233 -17.1233 -15.7109 -15.7109 -15.7108 -15.7108 -9.1218 -9.1218 -9.1215 -9.1215 -7.6662 -7.6662 -7.6658 -7.6658 -6.9874 -6.9874 -6.9864 -6.9864 -5.7976 -5.7976 -5.7964 -5.7964 -4.7768 -4.7768 -4.7730 -4.7730 -4.5117 -4.5117 -4.5076 -4.5076 -0.9045 -0.9045 -0.9034 -0.9034 -0.3890 -0.3890 -0.3860 -0.3860 -0.1071 -0.1071 -0.1048 -0.1048 6.3862 6.3862 6.3866 6.3866 7.5282 7.5282 7.5288 7.5288 8.6896 8.6896 k = 0.0000 0.5000 0.5416 ( 5358 PWs) bands (ev): -20.2345 -20.2345 -20.2344 -20.2344 -17.1274 -17.1274 -17.1273 -17.1273 -15.7103 -15.7103 -15.7102 -15.7102 -9.1186 -9.1186 -9.1183 -9.1183 -7.6695 -7.6695 -7.6692 -7.6692 -6.9613 -6.9613 -6.9604 -6.9604 -5.8153 -5.8153 -5.8142 -5.8142 -4.7804 -4.7804 -4.7768 -4.7768 -4.5205 -4.5205 -4.5165 -4.5165 -0.9084 -0.9084 -0.9076 -0.9076 -0.3804 -0.3804 -0.3775 -0.3775 -0.1054 -0.1054 -0.1031 -0.1031 6.3947 6.3947 6.3950 6.3950 7.5396 7.5396 7.5401 7.5401 8.6718 8.6718 k = 0.0000 0.5000 0.5591 ( 5348 PWs) bands (ev): -20.2334 -20.2334 -20.2334 -20.2334 -17.1303 -17.1303 -17.1302 -17.1302 -15.7099 -15.7099 -15.7098 -15.7098 -9.1162 -9.1162 -9.1160 -9.1160 -7.6719 -7.6719 -7.6716 -7.6716 -6.9418 -6.9418 -6.9409 -6.9409 -5.8289 -5.8289 -5.8279 -5.8279 -4.7831 -4.7831 -4.7796 -4.7796 -4.5267 -4.5267 -4.5227 -4.5227 -0.9113 -0.9113 -0.9106 -0.9106 -0.3742 -0.3742 -0.3715 -0.3715 -0.1040 -0.1040 -0.1017 -0.1017 6.4008 6.4008 6.4011 6.4011 7.5479 7.5479 7.5485 7.5485 8.6587 8.6587 k = 0.0000 0.5000 0.5766 ( 5362 PWs) bands (ev): -20.2328 -20.2328 -20.2327 -20.2327 -17.1320 -17.1320 -17.1319 -17.1319 -15.7096 -15.7096 -15.7095 -15.7095 -9.1149 -9.1149 -9.1146 -9.1146 -7.6734 -7.6734 -7.6731 -7.6731 -6.9297 -6.9297 -6.9288 -6.9288 -5.8374 -5.8374 -5.8365 -5.8365 -4.7847 -4.7847 -4.7814 -4.7814 -4.5303 -4.5303 -4.5264 -4.5264 -0.9130 -0.9130 -0.9124 -0.9124 -0.3705 -0.3705 -0.3678 -0.3678 -0.1032 -0.1032 -0.1009 -0.1009 6.4045 6.4045 6.4048 6.4048 7.5530 7.5530 7.5535 7.5535 8.6507 8.6507 k = 0.0000 0.5000 0.5940 ( 5364 PWs) bands (ev): -20.2325 -20.2325 -20.2325 -20.2325 -17.1326 -17.1326 -17.1325 -17.1325 -15.7095 -15.7095 -15.7094 -15.7094 -9.1144 -9.1144 -9.1141 -9.1141 -7.6739 -7.6739 -7.6736 -7.6736 -6.9256 -6.9256 -6.9247 -6.9247 -5.8403 -5.8403 -5.8394 -5.8394 -4.7853 -4.7853 -4.7820 -4.7820 -4.5315 -4.5315 -4.5276 -4.5276 -0.9136 -0.9136 -0.9130 -0.9130 -0.3692 -0.3692 -0.3666 -0.3666 -0.1029 -0.1029 -0.1006 -0.1006 6.4057 6.4057 6.4060 6.4060 7.5548 7.5548 7.5553 7.5553 8.6480 8.6480 k = 0.5000 0.5000-0.0000 ( 5320 PWs) bands (ev): -20.3262 -20.3262 -20.3262 -20.3262 -16.8467 -16.8467 -16.8467 -16.8467 -15.7693 -15.7693 -15.7693 -15.7693 -9.4248 -9.4248 -9.4248 -9.4248 -7.6933 -7.6933 -7.6933 -7.6933 -7.4040 -7.4040 -7.4040 -7.4040 -5.8631 -5.8631 -5.8631 -5.8631 -4.4843 -4.4843 -4.4843 -4.4843 -3.7657 -3.7657 -3.7657 -3.7657 -0.9500 -0.9500 -0.9500 -0.9500 -0.5184 -0.5184 -0.5184 -0.5184 -0.0826 -0.0826 -0.0826 -0.0826 5.7725 5.7725 5.7725 5.7725 7.2609 7.2609 7.2609 7.2609 8.2968 8.2968 k = 0.5000 0.5000 0.0175 ( 5320 PWs) bands (ev): -20.3261 -20.3261 -20.3261 -20.3261 -16.8472 -16.8472 -16.8472 -16.8472 -15.7692 -15.7692 -15.7692 -15.7692 -9.4239 -9.4239 -9.4239 -9.4239 -7.6923 -7.6923 -7.6923 -7.6923 -7.4047 -7.4047 -7.4047 -7.4047 -5.8630 -5.8630 -5.8630 -5.8630 -4.4840 -4.4840 -4.4840 -4.4840 -3.7679 -3.7679 -3.7679 -3.7679 -0.9492 -0.9492 -0.9492 -0.9492 -0.5185 -0.5185 -0.5185 -0.5185 -0.0825 -0.0825 -0.0825 -0.0825 5.7736 5.7736 5.7736 5.7736 7.2632 7.2632 7.2632 7.2632 8.2969 8.2969 k = 0.5000 0.5000 0.0349 ( 5344 PWs) bands (ev): -20.3255 -20.3255 -20.3255 -20.3255 -16.8490 -16.8490 -16.8490 -16.8490 -15.7690 -15.7690 -15.7690 -15.7690 -9.4213 -9.4213 -9.4213 -9.4213 -7.6893 -7.6893 -7.6893 -7.6893 -7.4067 -7.4067 -7.4067 -7.4067 -5.8629 -5.8629 -5.8629 -5.8629 -4.4832 -4.4832 -4.4832 -4.4832 -3.7746 -3.7746 -3.7746 -3.7746 -0.9468 -0.9468 -0.9468 -0.9468 -0.5190 -0.5190 -0.5190 -0.5190 -0.0824 -0.0824 -0.0824 -0.0824 5.7767 5.7767 5.7767 5.7767 7.2701 7.2701 7.2701 7.2701 8.2973 8.2973 k = 0.5000 0.5000 0.0524 ( 5320 PWs) bands (ev): -20.3245 -20.3245 -20.3245 -20.3245 -16.8518 -16.8518 -16.8518 -16.8518 -15.7687 -15.7687 -15.7687 -15.7687 -9.4170 -9.4170 -9.4170 -9.4170 -7.6843 -7.6843 -7.6843 -7.6843 -7.4099 -7.4099 -7.4099 -7.4099 -5.8627 -5.8627 -5.8627 -5.8627 -4.4818 -4.4818 -4.4818 -4.4818 -3.7857 -3.7857 -3.7857 -3.7857 -0.9428 -0.9428 -0.9428 -0.9428 -0.5197 -0.5197 -0.5197 -0.5197 -0.0822 -0.0822 -0.0822 -0.0822 5.7820 5.7820 5.7820 5.7820 7.2816 7.2816 7.2816 7.2816 8.2979 8.2979 k = 0.5000 0.5000 0.0699 ( 5320 PWs) bands (ev): -20.3232 -20.3232 -20.3232 -20.3232 -16.8558 -16.8558 -16.8558 -16.8558 -15.7683 -15.7683 -15.7683 -15.7683 -9.4109 -9.4109 -9.4109 -9.4109 -7.6772 -7.6772 -7.6772 -7.6772 -7.4145 -7.4145 -7.4145 -7.4145 -5.8624 -5.8624 -5.8624 -5.8624 -4.4799 -4.4799 -4.4799 -4.4799 -3.8012 -3.8012 -3.8012 -3.8012 -0.9373 -0.9373 -0.9373 -0.9373 -0.5207 -0.5207 -0.5207 -0.5207 -0.0819 -0.0819 -0.0819 -0.0819 5.7893 5.7893 5.7893 5.7893 7.2976 7.2976 7.2976 7.2976 8.2988 8.2988 k = 0.5000 0.5000 0.0874 ( 5332 PWs) bands (ev): -20.3216 -20.3216 -20.3216 -20.3216 -16.8609 -16.8609 -16.8609 -16.8609 -15.7678 -15.7678 -15.7678 -15.7678 -9.4034 -9.4034 -9.4034 -9.4034 -7.6681 -7.6681 -7.6681 -7.6681 -7.4202 -7.4202 -7.4202 -7.4202 -5.8619 -5.8619 -5.8619 -5.8619 -4.4776 -4.4776 -4.4776 -4.4776 -3.8210 -3.8210 -3.8210 -3.8210 -0.9304 -0.9304 -0.9304 -0.9304 -0.5218 -0.5218 -0.5218 -0.5218 -0.0815 -0.0815 -0.0815 -0.0815 5.7986 5.7986 5.7986 5.7986 7.3180 7.3180 7.3180 7.3180 8.2999 8.2999 k = 0.5000 0.5000 0.1048 ( 5332 PWs) bands (ev): -20.3195 -20.3195 -20.3195 -20.3195 -16.8670 -16.8670 -16.8670 -16.8670 -15.7671 -15.7671 -15.7671 -15.7671 -9.3943 -9.3943 -9.3943 -9.3943 -7.6570 -7.6570 -7.6570 -7.6570 -7.4272 -7.4272 -7.4272 -7.4272 -5.8613 -5.8613 -5.8613 -5.8613 -4.4749 -4.4749 -4.4749 -4.4749 -3.8450 -3.8450 -3.8450 -3.8450 -0.9221 -0.9221 -0.9221 -0.9221 -0.5230 -0.5230 -0.5230 -0.5230 -0.0810 -0.0810 -0.0810 -0.0810 5.8099 5.8099 5.8099 5.8099 7.3425 7.3425 7.3425 7.3425 8.3013 8.3013 k = 0.5000 0.5000 0.1223 ( 5340 PWs) bands (ev): -20.3172 -20.3172 -20.3172 -20.3172 -16.8741 -16.8741 -16.8741 -16.8741 -15.7664 -15.7664 -15.7664 -15.7664 -9.3838 -9.3838 -9.3838 -9.3838 -7.6437 -7.6437 -7.6437 -7.6437 -7.4352 -7.4352 -7.4352 -7.4352 -5.8606 -5.8606 -5.8606 -5.8606 -4.4718 -4.4718 -4.4718 -4.4718 -3.8730 -3.8730 -3.8730 -3.8730 -0.9128 -0.9128 -0.9128 -0.9128 -0.5241 -0.5241 -0.5241 -0.5241 -0.0805 -0.0805 -0.0805 -0.0805 5.8230 5.8230 5.8230 5.8230 7.3710 7.3710 7.3710 7.3710 8.3030 8.3030 k = 0.5000 0.5000 0.1398 ( 5364 PWs) bands (ev): -20.3145 -20.3145 -20.3145 -20.3145 -16.8820 -16.8820 -16.8820 -16.8820 -15.7655 -15.7655 -15.7655 -15.7655 -9.3720 -9.3720 -9.3720 -9.3720 -7.6284 -7.6284 -7.6284 -7.6284 -7.4443 -7.4443 -7.4443 -7.4443 -5.8597 -5.8597 -5.8597 -5.8597 -4.4685 -4.4685 -4.4685 -4.4685 -3.9049 -3.9049 -3.9049 -3.9049 -0.9025 -0.9025 -0.9025 -0.9025 -0.5250 -0.5250 -0.5250 -0.5250 -0.0799 -0.0799 -0.0799 -0.0799 5.8380 5.8380 5.8380 5.8380 7.4033 7.4033 7.4033 7.4033 8.3049 8.3049 k = 0.5000 0.5000 0.1572 ( 5352 PWs) bands (ev): -20.3116 -20.3116 -20.3116 -20.3116 -16.8909 -16.8909 -16.8909 -16.8909 -15.7646 -15.7646 -15.7646 -15.7646 -9.3591 -9.3591 -9.3591 -9.3591 -7.6109 -7.6109 -7.6109 -7.6109 -7.4543 -7.4543 -7.4543 -7.4543 -5.8585 -5.8585 -5.8585 -5.8585 -4.4650 -4.4650 -4.4650 -4.4650 -3.9406 -3.9406 -3.9406 -3.9406 -0.8915 -0.8915 -0.8915 -0.8915 -0.5255 -0.5255 -0.5255 -0.5255 -0.0792 -0.0792 -0.0792 -0.0792 5.8547 5.8547 5.8547 5.8547 7.4390 7.4390 7.4390 7.4390 8.3072 8.3072 k = 0.5000 0.5000 0.1747 ( 5344 PWs) bands (ev): -20.3083 -20.3083 -20.3083 -20.3083 -16.9004 -16.9004 -16.9004 -16.9004 -15.7635 -15.7635 -15.7635 -15.7635 -9.3451 -9.3451 -9.3451 -9.3451 -7.5913 -7.5913 -7.5913 -7.5913 -7.4651 -7.4651 -7.4651 -7.4651 -5.8572 -5.8572 -5.8572 -5.8572 -4.4614 -4.4614 -4.4614 -4.4614 -3.9798 -3.9798 -3.9798 -3.9798 -0.8801 -0.8801 -0.8801 -0.8801 -0.5254 -0.5254 -0.5254 -0.5254 -0.0785 -0.0785 -0.0785 -0.0785 5.8730 5.8730 5.8730 5.8730 7.4779 7.4779 7.4779 7.4779 8.3099 8.3099 k = 0.5000 0.5000 0.1922 ( 5344 PWs) bands (ev): -20.3048 -20.3048 -20.3048 -20.3048 -16.9107 -16.9107 -16.9107 -16.9107 -15.7624 -15.7624 -15.7624 -15.7624 -9.3304 -9.3304 -9.3304 -9.3304 -7.5696 -7.5696 -7.5696 -7.5696 -7.4767 -7.4767 -7.4767 -7.4767 -5.8556 -5.8556 -5.8556 -5.8556 -4.4577 -4.4577 -4.4577 -4.4577 -4.0223 -4.0223 -4.0223 -4.0223 -0.8685 -0.8685 -0.8685 -0.8685 -0.5245 -0.5245 -0.5245 -0.5245 -0.0777 -0.0777 -0.0777 -0.0777 5.8927 5.8927 5.8927 5.8927 7.5196 7.5196 7.5196 7.5196 8.3129 8.3129 k = 0.5000 0.5000 0.2097 ( 5336 PWs) bands (ev): -20.3011 -20.3011 -20.3011 -20.3011 -16.9216 -16.9216 -16.9216 -16.9216 -15.7612 -15.7612 -15.7612 -15.7612 -9.3149 -9.3149 -9.3149 -9.3149 -7.5457 -7.5457 -7.5457 -7.5457 -7.4888 -7.4888 -7.4888 -7.4888 -5.8538 -5.8538 -5.8538 -5.8538 -4.4540 -4.4540 -4.4540 -4.4540 -4.0679 -4.0679 -4.0679 -4.0679 -0.8570 -0.8570 -0.8570 -0.8570 -0.5226 -0.5226 -0.5226 -0.5226 -0.0769 -0.0769 -0.0769 -0.0769 5.9139 5.9139 5.9139 5.9139 7.5638 7.5638 7.5638 7.5638 8.3163 8.3163 k = 0.5000 0.5000 0.2271 ( 5356 PWs) bands (ev): -20.2972 -20.2972 -20.2972 -20.2972 -16.9329 -16.9329 -16.9329 -16.9329 -15.7600 -15.7600 -15.7600 -15.7600 -9.2990 -9.2990 -9.2990 -9.2990 -7.5200 -7.5200 -7.5200 -7.5200 -7.5014 -7.5014 -7.5014 -7.5014 -5.8517 -5.8517 -5.8517 -5.8517 -4.4504 -4.4504 -4.4504 -4.4504 -4.1164 -4.1164 -4.1164 -4.1164 -0.8460 -0.8460 -0.8460 -0.8460 -0.5194 -0.5194 -0.5194 -0.5194 -0.0760 -0.0760 -0.0760 -0.0760 5.9363 5.9363 5.9363 5.9363 7.6100 7.6100 7.6100 7.6100 8.3201 8.3201 k = 0.5000 0.5000 0.2446 ( 5356 PWs) bands (ev): -20.2932 -20.2932 -20.2932 -20.2932 -16.9447 -16.9447 -16.9447 -16.9447 -15.7587 -15.7587 -15.7587 -15.7587 -9.2827 -9.2827 -9.2827 -9.2827 -7.5152 -7.5152 -7.5152 -7.5152 -7.4912 -7.4912 -7.4912 -7.4912 -5.8494 -5.8494 -5.8494 -5.8494 -4.4470 -4.4470 -4.4470 -4.4470 -4.1675 -4.1675 -4.1675 -4.1675 -0.8358 -0.8358 -0.8358 -0.8358 -0.5147 -0.5147 -0.5147 -0.5147 -0.0751 -0.0751 -0.0751 -0.0751 5.9597 5.9597 5.9597 5.9597 7.6578 7.6578 7.6578 7.6578 8.3244 8.3244 k = 0.5000 0.5000 0.2621 ( 5344 PWs) bands (ev): -20.2890 -20.2890 -20.2890 -20.2890 -16.9568 -16.9568 -16.9568 -16.9568 -15.7574 -15.7574 -15.7574 -15.7574 -9.2662 -9.2662 -9.2662 -9.2662 -7.5285 -7.5285 -7.5285 -7.5285 -7.4613 -7.4613 -7.4613 -7.4613 -5.8468 -5.8468 -5.8468 -5.8468 -4.4437 -4.4437 -4.4437 -4.4437 -4.2209 -4.2209 -4.2209 -4.2209 -0.8267 -0.8267 -0.8267 -0.8267 -0.5084 -0.5084 -0.5084 -0.5084 -0.0742 -0.0742 -0.0742 -0.0742 5.9841 5.9841 5.9841 5.9841 7.7067 7.7067 7.7067 7.7067 8.3293 8.3293 k = 0.5000 0.5000 0.2795 ( 5336 PWs) bands (ev): -20.2847 -20.2847 -20.2847 -20.2847 -16.9690 -16.9690 -16.9690 -16.9690 -15.7561 -15.7561 -15.7561 -15.7561 -9.2497 -9.2497 -9.2497 -9.2497 -7.5421 -7.5421 -7.5421 -7.5421 -7.4293 -7.4293 -7.4293 -7.4293 -5.8441 -5.8441 -5.8441 -5.8441 -4.4407 -4.4407 -4.4407 -4.4407 -4.2763 -4.2763 -4.2763 -4.2763 -0.8189 -0.8189 -0.8189 -0.8189 -0.5003 -0.5003 -0.5003 -0.5003 -0.0732 -0.0732 -0.0732 -0.0732 6.0092 6.0092 6.0092 6.0092 7.7563 7.7563 7.7563 7.7563 8.3347 8.3347 k = 0.5000 0.5000 0.2970 ( 5328 PWs) bands (ev): -20.2804 -20.2804 -20.2804 -20.2804 -16.9814 -16.9814 -16.9814 -16.9814 -15.7547 -15.7547 -15.7547 -15.7547 -9.2333 -9.2333 -9.2333 -9.2333 -7.5558 -7.5558 -7.5558 -7.5558 -7.3954 -7.3954 -7.3954 -7.3954 -5.8411 -5.8411 -5.8411 -5.8411 -4.4380 -4.4380 -4.4380 -4.4380 -4.3334 -4.3334 -4.3334 -4.3334 -0.8124 -0.8124 -0.8124 -0.8124 -0.4905 -0.4905 -0.4905 -0.4905 -0.0722 -0.0722 -0.0722 -0.0722 6.0350 6.0350 6.0350 6.0350 7.8059 7.8059 7.8059 7.8059 8.3408 8.3408 k = 0.5000 0.5000 0.3145 ( 5344 PWs) bands (ev): -20.2760 -20.2760 -20.2760 -20.2760 -16.9937 -16.9937 -16.9937 -16.9937 -15.7534 -15.7534 -15.7534 -15.7534 -9.2172 -9.2172 -9.2172 -9.2172 -7.5694 -7.5694 -7.5694 -7.5694 -7.3598 -7.3598 -7.3598 -7.3598 -5.8380 -5.8380 -5.8380 -5.8380 -4.4356 -4.4356 -4.4356 -4.4356 -4.3917 -4.3917 -4.3917 -4.3917 -0.8075 -0.8075 -0.8075 -0.8075 -0.4790 -0.4790 -0.4790 -0.4790 -0.0713 -0.0713 -0.0713 -0.0713 6.0610 6.0610 6.0610 6.0610 7.8551 7.8551 7.8551 7.8551 8.3475 8.3475 k = 0.5000 0.5000 0.3320 ( 5352 PWs) bands (ev): -20.2717 -20.2717 -20.2717 -20.2717 -17.0059 -17.0059 -17.0059 -17.0059 -15.7520 -15.7520 -15.7520 -15.7520 -9.2016 -9.2016 -9.2016 -9.2016 -7.5828 -7.5828 -7.5828 -7.5828 -7.3227 -7.3227 -7.3227 -7.3227 -5.8347 -5.8347 -5.8347 -5.8347 -4.4520 -4.4520 -4.4520 -4.4520 -4.4326 -4.4326 -4.4326 -4.4326 -0.8039 -0.8039 -0.8039 -0.8039 -0.4660 -0.4660 -0.4660 -0.4660 -0.0703 -0.0703 -0.0703 -0.0703 6.0873 6.0873 6.0873 6.0873 7.9032 7.9032 7.9032 7.9032 8.3551 8.3551 k = 0.5000 0.5000 0.3494 ( 5344 PWs) bands (ev): -20.2674 -20.2674 -20.2674 -20.2674 -17.0179 -17.0179 -17.0179 -17.0179 -15.7507 -15.7507 -15.7507 -15.7507 -9.1864 -9.1864 -9.1864 -9.1864 -7.5960 -7.5960 -7.5960 -7.5960 -7.2843 -7.2843 -7.2843 -7.2843 -5.8314 -5.8314 -5.8314 -5.8314 -4.5116 -4.5116 -4.5116 -4.5116 -4.4311 -4.4311 -4.4311 -4.4311 -0.8016 -0.8016 -0.8016 -0.8016 -0.4519 -0.4519 -0.4519 -0.4519 -0.0694 -0.0694 -0.0694 -0.0694 6.1135 6.1135 6.1135 6.1135 7.9498 7.9498 7.9498 7.9498 8.3634 8.3634 k = 0.5000 0.5000 0.3669 ( 5344 PWs) bands (ev): -20.2632 -20.2632 -20.2632 -20.2632 -17.0296 -17.0296 -17.0296 -17.0296 -15.7494 -15.7494 -15.7494 -15.7494 -9.1719 -9.1719 -9.1719 -9.1719 -7.6088 -7.6088 -7.6088 -7.6088 -7.2448 -7.2448 -7.2448 -7.2448 -5.8280 -5.8280 -5.8280 -5.8280 -4.5717 -4.5717 -4.5717 -4.5717 -4.4296 -4.4296 -4.4296 -4.4296 -0.8004 -0.8004 -0.8004 -0.8004 -0.4369 -0.4369 -0.4369 -0.4369 -0.0685 -0.0685 -0.0685 -0.0685 6.1394 6.1394 6.1394 6.1394 7.9942 7.9942 7.9942 7.9942 8.3726 8.3726 k = 0.5000 0.5000 0.3844 ( 5344 PWs) bands (ev): -20.2591 -20.2591 -20.2591 -20.2591 -17.0409 -17.0409 -17.0409 -17.0409 -15.7482 -15.7482 -15.7482 -15.7482 -9.1582 -9.1582 -9.1582 -9.1582 -7.6210 -7.6210 -7.6210 -7.6210 -7.2046 -7.2046 -7.2046 -7.2046 -5.8246 -5.8246 -5.8246 -5.8246 -4.6316 -4.6316 -4.6316 -4.6316 -4.4282 -4.4282 -4.4282 -4.4282 -0.8002 -0.8002 -0.8002 -0.8002 -0.4214 -0.4214 -0.4214 -0.4214 -0.0676 -0.0676 -0.0676 -0.0676 6.1649 6.1649 6.1649 6.1649 8.0361 8.0361 8.0361 8.0361 8.3826 8.3826 k = 0.5000 0.5000 0.4018 ( 5340 PWs) bands (ev): -20.2552 -20.2552 -20.2552 -20.2552 -17.0516 -17.0516 -17.0516 -17.0516 -15.7470 -15.7470 -15.7470 -15.7470 -9.1453 -9.1453 -9.1453 -9.1453 -7.6327 -7.6327 -7.6327 -7.6327 -7.1640 -7.1640 -7.1640 -7.1640 -5.8212 -5.8212 -5.8212 -5.8212 -4.6907 -4.6907 -4.6907 -4.6907 -4.4271 -4.4271 -4.4271 -4.4271 -0.8006 -0.8006 -0.8006 -0.8006 -0.4057 -0.4057 -0.4057 -0.4057 -0.0668 -0.0668 -0.0668 -0.0668 6.1896 6.1896 6.1896 6.1896 8.0748 8.0748 8.0748 8.0748 8.3937 8.3937 k = 0.5000 0.5000 0.4193 ( 5340 PWs) bands (ev): -20.2515 -20.2515 -20.2515 -20.2515 -17.0617 -17.0617 -17.0617 -17.0617 -15.7459 -15.7459 -15.7459 -15.7459 -9.1334 -9.1334 -9.1334 -9.1334 -7.6436 -7.6436 -7.6436 -7.6436 -7.1235 -7.1235 -7.1235 -7.1235 -5.8179 -5.8179 -5.8179 -5.8179 -4.7484 -4.7484 -4.7484 -4.7484 -4.4263 -4.4263 -4.4263 -4.4263 -0.8016 -0.8016 -0.8016 -0.8016 -0.3902 -0.3902 -0.3902 -0.3902 -0.0660 -0.0660 -0.0660 -0.0660 6.2133 6.2133 6.2133 6.2133 8.1101 8.1101 8.1101 8.1101 8.4056 8.4056 k = 0.5000 0.5000 0.4368 ( 5340 PWs) bands (ev): -20.2480 -20.2480 -20.2480 -20.2480 -17.0712 -17.0712 -17.0712 -17.0712 -15.7448 -15.7448 -15.7448 -15.7448 -9.1224 -9.1224 -9.1224 -9.1224 -7.6538 -7.6538 -7.6538 -7.6538 -7.0837 -7.0837 -7.0837 -7.0837 -5.8148 -5.8148 -5.8148 -5.8148 -4.8041 -4.8041 -4.8041 -4.8041 -4.4257 -4.4257 -4.4257 -4.4257 -0.8030 -0.8030 -0.8030 -0.8030 -0.3752 -0.3752 -0.3752 -0.3752 -0.0652 -0.0652 -0.0652 -0.0652 6.2357 6.2357 6.2357 6.2357 8.1417 8.1417 8.1417 8.1417 8.4184 8.4184 k = 0.5000 0.5000 0.4543 ( 5348 PWs) bands (ev): -20.2448 -20.2448 -20.2448 -20.2448 -17.0799 -17.0799 -17.0799 -17.0799 -15.7438 -15.7438 -15.7438 -15.7438 -9.1125 -9.1125 -9.1125 -9.1125 -7.6632 -7.6632 -7.6632 -7.6632 -7.0451 -7.0451 -7.0451 -7.0451 -5.8118 -5.8118 -5.8118 -5.8118 -4.8571 -4.8571 -4.8571 -4.8571 -4.4252 -4.4252 -4.4252 -4.4252 -0.8046 -0.8046 -0.8046 -0.8046 -0.3610 -0.3610 -0.3610 -0.3610 -0.0646 -0.0646 -0.0646 -0.0646 6.2567 6.2567 6.2567 6.2567 8.1694 8.1694 8.1694 8.1694 8.4319 8.4319 k = 0.5000 0.5000 0.4717 ( 5356 PWs) bands (ev): -20.2419 -20.2419 -20.2419 -20.2419 -17.0877 -17.0877 -17.0877 -17.0877 -15.7430 -15.7430 -15.7430 -15.7430 -9.1036 -9.1036 -9.1036 -9.1036 -7.6716 -7.6716 -7.6716 -7.6716 -7.0083 -7.0083 -7.0083 -7.0083 -5.8091 -5.8091 -5.8091 -5.8091 -4.9067 -4.9067 -4.9067 -4.9067 -4.4249 -4.4249 -4.4249 -4.4249 -0.8062 -0.8062 -0.8062 -0.8062 -0.3478 -0.3478 -0.3478 -0.3478 -0.0639 -0.0639 -0.0639 -0.0639 6.2759 6.2759 6.2759 6.2759 8.1932 8.1932 8.1932 8.1932 8.4460 8.4460 k = 0.5000 0.5000 0.4892 ( 5356 PWs) bands (ev): -20.2393 -20.2393 -20.2393 -20.2393 -17.0946 -17.0946 -17.0946 -17.0946 -15.7422 -15.7422 -15.7422 -15.7422 -9.0959 -9.0959 -9.0959 -9.0959 -7.6790 -7.6790 -7.6790 -7.6790 -6.9741 -6.9741 -6.9741 -6.9741 -5.8066 -5.8066 -5.8066 -5.8066 -4.9521 -4.9521 -4.9521 -4.9521 -4.4247 -4.4247 -4.4247 -4.4247 -0.8079 -0.8079 -0.8079 -0.8079 -0.3359 -0.3359 -0.3359 -0.3359 -0.0634 -0.0634 -0.0634 -0.0634 6.2931 6.2931 6.2931 6.2931 8.2131 8.2131 8.2131 8.2131 8.4604 8.4604 k = 0.5000 0.5000 0.5067 ( 5348 PWs) bands (ev): -20.2371 -20.2371 -20.2371 -20.2371 -17.1006 -17.1006 -17.1006 -17.1006 -15.7415 -15.7415 -15.7415 -15.7415 -9.0893 -9.0893 -9.0893 -9.0893 -7.6854 -7.6854 -7.6854 -7.6854 -6.9433 -6.9433 -6.9433 -6.9433 -5.8044 -5.8044 -5.8044 -5.8044 -4.9925 -4.9925 -4.9925 -4.9925 -4.4246 -4.4246 -4.4246 -4.4246 -0.8094 -0.8094 -0.8094 -0.8094 -0.3255 -0.3255 -0.3255 -0.3255 -0.0629 -0.0629 -0.0629 -0.0629 6.3081 6.3081 6.3081 6.3081 8.2295 8.2295 8.2295 8.2295 8.4746 8.4746 k = 0.5000 0.5000 0.5241 ( 5332 PWs) bands (ev): -20.2352 -20.2352 -20.2352 -20.2352 -17.1055 -17.1055 -17.1055 -17.1055 -15.7410 -15.7410 -15.7410 -15.7410 -9.0839 -9.0839 -9.0839 -9.0839 -7.6906 -7.6906 -7.6906 -7.6906 -6.9166 -6.9166 -6.9166 -6.9166 -5.8026 -5.8026 -5.8026 -5.8026 -5.0271 -5.0271 -5.0271 -5.0271 -4.4245 -4.4245 -4.4245 -4.4245 -0.8107 -0.8107 -0.8107 -0.8107 -0.3168 -0.3168 -0.3168 -0.3168 -0.0625 -0.0625 -0.0625 -0.0625 6.3207 6.3207 6.3207 6.3207 8.2423 8.2423 8.2423 8.2423 8.4880 8.4880 k = 0.5000 0.5000 0.5416 ( 5340 PWs) bands (ev): -20.2338 -20.2338 -20.2338 -20.2338 -17.1094 -17.1094 -17.1094 -17.1094 -15.7406 -15.7406 -15.7406 -15.7406 -9.0797 -9.0797 -9.0797 -9.0797 -7.6948 -7.6948 -7.6948 -7.6948 -6.8949 -6.8949 -6.8949 -6.8949 -5.8011 -5.8011 -5.8011 -5.8011 -5.0550 -5.0550 -5.0550 -5.0550 -4.4245 -4.4245 -4.4245 -4.4245 -0.8118 -0.8118 -0.8118 -0.8118 -0.3098 -0.3098 -0.3098 -0.3098 -0.0622 -0.0622 -0.0622 -0.0622 6.3307 6.3307 6.3307 6.3307 8.2520 8.2520 8.2520 8.2520 8.4998 8.4998 k = 0.5000 0.5000 0.5591 ( 5340 PWs) bands (ev): -20.2327 -20.2327 -20.2327 -20.2327 -17.1122 -17.1122 -17.1122 -17.1122 -15.7402 -15.7402 -15.7402 -15.7402 -9.0767 -9.0767 -9.0767 -9.0767 -7.6978 -7.6978 -7.6978 -7.6978 -6.8788 -6.8788 -6.8788 -6.8788 -5.8001 -5.8001 -5.8001 -5.8001 -5.0755 -5.0755 -5.0755 -5.0755 -4.4245 -4.4245 -4.4245 -4.4245 -0.8127 -0.8127 -0.8127 -0.8127 -0.3048 -0.3048 -0.3048 -0.3048 -0.0620 -0.0620 -0.0620 -0.0620 6.3380 6.3380 6.3380 6.3380 8.2587 8.2587 8.2587 8.2587 8.5093 8.5093 k = 0.5000 0.5000 0.5766 ( 5340 PWs) bands (ev): -20.2321 -20.2321 -20.2321 -20.2321 -17.1139 -17.1139 -17.1139 -17.1139 -15.7401 -15.7401 -15.7401 -15.7401 -9.0748 -9.0748 -9.0748 -9.0748 -7.6995 -7.6995 -7.6995 -7.6995 -6.8689 -6.8689 -6.8689 -6.8689 -5.7994 -5.7994 -5.7994 -5.7994 -5.0881 -5.0881 -5.0881 -5.0881 -4.4245 -4.4245 -4.4245 -4.4245 -0.8132 -0.8132 -0.8132 -0.8132 -0.3017 -0.3017 -0.3017 -0.3017 -0.0619 -0.0619 -0.0619 -0.0619 6.3424 6.3424 6.3424 6.3424 8.2626 8.2626 8.2626 8.2626 8.5154 8.5154 k = 0.5000 0.5000 0.5940 ( 5352 PWs) bands (ev): -20.2319 -20.2319 -20.2319 -20.2319 -17.1145 -17.1145 -17.1145 -17.1145 -15.7400 -15.7400 -15.7400 -15.7400 -9.0743 -9.0743 -9.0743 -9.0743 -7.7002 -7.7002 -7.7002 -7.7002 -6.8655 -6.8655 -6.8655 -6.8655 -5.7992 -5.7992 -5.7992 -5.7992 -5.0924 -5.0924 -5.0924 -5.0924 -4.4245 -4.4245 -4.4245 -4.4245 -0.8133 -0.8133 -0.8133 -0.8133 -0.3007 -0.3007 -0.3007 -0.3007 -0.0618 -0.0618 -0.0618 -0.0618 6.3438 6.3438 6.3438 6.3438 8.2639 8.2639 8.2639 8.2639 8.5175 8.5175 Writing output data file H4CN2O.save init_run : 0.77s CPU 0.49s WALL ( 1 calls) electrons : 356.30s CPU 260.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 356.29s CPU 260.79s 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 : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.38s CPU 0.53s WALL ( 307 calls) cegterg : 314.44s CPU 235.99s WALL ( 589 calls) Called by sum_band: Called by *egterg: h_psi : 201.50s CPU 128.90s WALL ( 9524 calls) s_psi : 10.58s CPU 7.54s WALL ( 9524 calls) g_psi : 0.43s CPU 0.33s WALL ( 8628 calls) cdiaghg : 101.78s CPU 90.00s WALL ( 8935 calls) cegterg:over : 13.55s CPU 10.48s WALL ( 8628 calls) cegterg:upda : 12.35s CPU 10.24s WALL ( 8628 calls) cegterg:last : 4.66s CPU 3.98s WALL ( 1203 calls) cdiaghg:chol : 5.56s CPU 5.06s WALL ( 8935 calls) cdiaghg:inve : 3.60s CPU 3.48s WALL ( 8935 calls) cdiaghg:para : 6.00s CPU 5.49s WALL ( 17870 calls) Called by h_psi: h_psi:vloc : 181.37s CPU 114.75s WALL ( 9524 calls) h_psi:vnl : 19.58s CPU 13.74s WALL ( 9524 calls) add_vuspsi : 8.89s CPU 6.02s WALL ( 9524 calls) General routines calbec : 10.64s CPU 7.69s WALL ( 9524 calls) fft : 0.10s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 168.16s CPU 105.61s WALL ( 918748 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.30s CPU 1.16s WALL ( 614 calls) Parallel routines fft_scatter : 68.68s CPU 48.82s WALL ( 918771 calls) PWSCF : 6m15.98s CPU 4m56.79s WALL This run was terminated on: 15:47: 2 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=