Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 9:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaCN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 36 10 1795 1324 206 Max 46 37 11 1800 1341 213 Sum 1635 1325 391 64689 47961 7559 bravais-lattice index = 14 lattice parameter (alat) = 6.8597 a.u. unit-cell volume = 647.5024 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.859705 celldm(2)= 1.336088 celldm(3)= 1.501377 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 1.336088 0.000000 ) a(3) = ( 0.000000 0.000000 1.501377 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.748454 -0.000000 ) b(3) = ( 0.000000 0.000000 0.666055 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7506887 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7506887 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7506887 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7506887 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0022936 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0022936 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0022936 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0022936 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0022936 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0022936 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0022936 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0022936 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0022936 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0022936 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0022936 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0022936 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0022936 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0022936 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0022936 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0022936 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0022936 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0022936 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0022936 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0022936 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0022936 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0022936 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0022936 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0022936 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0022936 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0022936 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0022936 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0022936 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0022936 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0022936 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0022936 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0022936 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0022936 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0022936 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0022936 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0022936 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0022936 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0022936 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0022936 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0022936 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 47) = ( 0.5000000 0.0113402 -0.0000000), wk = 0.0022936 k( 48) = ( 0.5000000 0.0226804 -0.0000000), wk = 0.0022936 k( 49) = ( 0.5000000 0.0340206 -0.0000000), wk = 0.0022936 k( 50) = ( 0.5000000 0.0453608 -0.0000000), wk = 0.0022936 k( 51) = ( 0.5000000 0.0567010 -0.0000000), wk = 0.0022936 k( 52) = ( 0.5000000 0.0680412 -0.0000000), wk = 0.0022936 k( 53) = ( 0.5000000 0.0793814 -0.0000000), wk = 0.0022936 k( 54) = ( 0.5000000 0.0907216 -0.0000000), wk = 0.0022936 k( 55) = ( 0.5000000 0.1020619 -0.0000000), wk = 0.0022936 k( 56) = ( 0.5000000 0.1134021 -0.0000000), wk = 0.0022936 k( 57) = ( 0.5000000 0.1247423 -0.0000000), wk = 0.0022936 k( 58) = ( 0.5000000 0.1360825 -0.0000000), wk = 0.0022936 k( 59) = ( 0.5000000 0.1474227 -0.0000000), wk = 0.0022936 k( 60) = ( 0.5000000 0.1587629 -0.0000000), wk = 0.0022936 k( 61) = ( 0.5000000 0.1701031 -0.0000000), wk = 0.0022936 k( 62) = ( 0.5000000 0.1814433 -0.0000000), wk = 0.0022936 k( 63) = ( 0.5000000 0.1927835 -0.0000000), wk = 0.0022936 k( 64) = ( 0.5000000 0.2041237 -0.0000000), wk = 0.0022936 k( 65) = ( 0.5000000 0.2154639 -0.0000000), wk = 0.0022936 k( 66) = ( 0.5000000 0.2268041 -0.0000000), wk = 0.0022936 k( 67) = ( 0.5000000 0.2381443 -0.0000000), wk = 0.0022936 k( 68) = ( 0.5000000 0.2494845 -0.0000000), wk = 0.0022936 k( 69) = ( 0.5000000 0.2608247 -0.0000000), wk = 0.0022936 k( 70) = ( 0.5000000 0.2721649 -0.0000000), wk = 0.0022936 k( 71) = ( 0.5000000 0.2835052 -0.0000000), wk = 0.0022936 k( 72) = ( 0.5000000 0.2948454 -0.0000000), wk = 0.0022936 k( 73) = ( 0.5000000 0.3061856 -0.0000000), wk = 0.0022936 k( 74) = ( 0.5000000 0.3175258 -0.0000000), wk = 0.0022936 k( 75) = ( 0.5000000 0.3288660 -0.0000000), wk = 0.0022936 k( 76) = ( 0.5000000 0.3402062 -0.0000000), wk = 0.0022936 k( 77) = ( 0.5000000 0.3515464 -0.0000000), wk = 0.0022936 k( 78) = ( 0.5000000 0.3628866 -0.0000000), wk = 0.0022936 k( 79) = ( 0.5000000 0.3742268 -0.0000000), wk = 0.0022936 k( 80) = ( 0.5000000 0.3742268 -0.0000000), wk = 0.0022936 k( 81) = ( 0.4886364 0.3742268 -0.0000000), wk = 0.0022936 k( 82) = ( 0.4772727 0.3742268 -0.0000000), wk = 0.0022936 k( 83) = ( 0.4659091 0.3742268 -0.0000000), wk = 0.0022936 k( 84) = ( 0.4545455 0.3742268 -0.0000000), wk = 0.0022936 k( 85) = ( 0.4431818 0.3742268 -0.0000000), wk = 0.0022936 k( 86) = ( 0.4318182 0.3742268 -0.0000000), wk = 0.0022936 k( 87) = ( 0.4204545 0.3742268 -0.0000000), wk = 0.0022936 k( 88) = ( 0.4090909 0.3742268 -0.0000000), wk = 0.0022936 k( 89) = ( 0.3977273 0.3742268 -0.0000000), wk = 0.0022936 k( 90) = ( 0.3863636 0.3742268 -0.0000000), wk = 0.0022936 k( 91) = ( 0.3750000 0.3742268 -0.0000000), wk = 0.0022936 k( 92) = ( 0.3636364 0.3742268 -0.0000000), wk = 0.0022936 k( 93) = ( 0.3522727 0.3742268 -0.0000000), wk = 0.0022936 k( 94) = ( 0.3409091 0.3742268 -0.0000000), wk = 0.0022936 k( 95) = ( 0.3295455 0.3742268 -0.0000000), wk = 0.0022936 k( 96) = ( 0.3181818 0.3742268 -0.0000000), wk = 0.0022936 k( 97) = ( 0.3068182 0.3742268 -0.0000000), wk = 0.0022936 k( 98) = ( 0.2954545 0.3742268 -0.0000000), wk = 0.0022936 k( 99) = ( 0.2840909 0.3742268 -0.0000000), wk = 0.0022936 k( 100) = ( 0.2727273 0.3742268 -0.0000000), wk = 0.0022936 k( 101) = ( 0.2613636 0.3742268 -0.0000000), wk = 0.0022936 k( 102) = ( 0.2500000 0.3742268 -0.0000000), wk = 0.0022936 k( 103) = ( 0.2386364 0.3742268 -0.0000000), wk = 0.0022936 k( 104) = ( 0.2272727 0.3742268 -0.0000000), wk = 0.0022936 k( 105) = ( 0.2159091 0.3742268 -0.0000000), wk = 0.0022936 k( 106) = ( 0.2045454 0.3742268 -0.0000000), wk = 0.0022936 k( 107) = ( 0.1931818 0.3742268 -0.0000000), wk = 0.0022936 k( 108) = ( 0.1818182 0.3742268 -0.0000000), wk = 0.0022936 k( 109) = ( 0.1704546 0.3742268 -0.0000000), wk = 0.0022936 k( 110) = ( 0.1590909 0.3742268 -0.0000000), wk = 0.0022936 k( 111) = ( 0.1477273 0.3742268 -0.0000000), wk = 0.0022936 k( 112) = ( 0.1363636 0.3742268 -0.0000000), wk = 0.0022936 k( 113) = ( 0.1250000 0.3742268 -0.0000000), wk = 0.0022936 k( 114) = ( 0.1136364 0.3742268 -0.0000000), wk = 0.0022936 k( 115) = ( 0.1022727 0.3742268 -0.0000000), wk = 0.0022936 k( 116) = ( 0.0909091 0.3742268 -0.0000000), wk = 0.0022936 k( 117) = ( 0.0795455 0.3742268 -0.0000000), wk = 0.0022936 k( 118) = ( 0.0681818 0.3742268 -0.0000000), wk = 0.0022936 k( 119) = ( 0.0568182 0.3742268 -0.0000000), wk = 0.0022936 k( 120) = ( 0.0454546 0.3742268 -0.0000000), wk = 0.0022936 k( 121) = ( 0.0340909 0.3742268 -0.0000000), wk = 0.0022936 k( 122) = ( 0.0227273 0.3742268 -0.0000000), wk = 0.0022936 k( 123) = ( 0.0113636 0.3742268 -0.0000000), wk = 0.0022936 k( 124) = ( 0.0000000 0.3742268 -0.0000000), wk = 0.0022936 k( 125) = ( 0.0000000 0.3742268 -0.0000000), wk = 0.0022936 k( 126) = ( 0.0000000 0.3628866 -0.0000000), wk = 0.0022936 k( 127) = ( 0.0000000 0.3515464 -0.0000000), wk = 0.0022936 k( 128) = ( 0.0000000 0.3402062 -0.0000000), wk = 0.0022936 k( 129) = ( 0.0000000 0.3288660 -0.0000000), wk = 0.0022936 k( 130) = ( 0.0000000 0.3175258 -0.0000000), wk = 0.0022936 k( 131) = ( 0.0000000 0.3061856 -0.0000000), wk = 0.0022936 k( 132) = ( 0.0000000 0.2948454 -0.0000000), wk = 0.0022936 k( 133) = ( 0.0000000 0.2835052 -0.0000000), wk = 0.0022936 k( 134) = ( 0.0000000 0.2721649 -0.0000000), wk = 0.0022936 k( 135) = ( 0.0000000 0.2608247 -0.0000000), wk = 0.0022936 k( 136) = ( 0.0000000 0.2494845 -0.0000000), wk = 0.0022936 k( 137) = ( 0.0000000 0.2381443 -0.0000000), wk = 0.0022936 k( 138) = ( 0.0000000 0.2268041 -0.0000000), wk = 0.0022936 k( 139) = ( 0.0000000 0.2154639 -0.0000000), wk = 0.0022936 k( 140) = ( 0.0000000 0.2041237 -0.0000000), wk = 0.0022936 k( 141) = ( 0.0000000 0.1927835 -0.0000000), wk = 0.0022936 k( 142) = ( 0.0000000 0.1814433 -0.0000000), wk = 0.0022936 k( 143) = ( 0.0000000 0.1701031 -0.0000000), wk = 0.0022936 k( 144) = ( 0.0000000 0.1587629 -0.0000000), wk = 0.0022936 k( 145) = ( 0.0000000 0.1474227 -0.0000000), wk = 0.0022936 k( 146) = ( 0.0000000 0.1360825 -0.0000000), wk = 0.0022936 k( 147) = ( 0.0000000 0.1247423 -0.0000000), wk = 0.0022936 k( 148) = ( 0.0000000 0.1134021 -0.0000000), wk = 0.0022936 k( 149) = ( 0.0000000 0.1020619 -0.0000000), wk = 0.0022936 k( 150) = ( 0.0000000 0.0907216 -0.0000000), wk = 0.0022936 k( 151) = ( 0.0000000 0.0793814 -0.0000000), wk = 0.0022936 k( 152) = ( 0.0000000 0.0680412 -0.0000000), wk = 0.0022936 k( 153) = ( 0.0000000 0.0567010 -0.0000000), wk = 0.0022936 k( 154) = ( 0.0000000 0.0453608 -0.0000000), wk = 0.0022936 k( 155) = ( 0.0000000 0.0340206 -0.0000000), wk = 0.0022936 k( 156) = ( 0.0000000 0.0226804 -0.0000000), wk = 0.0022936 k( 157) = ( 0.0000000 0.0113402 -0.0000000), wk = 0.0022936 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 160) = ( 0.0000000 0.0000000 0.0114837), wk = 0.0022936 k( 161) = ( 0.0000000 0.0000000 0.0229674), wk = 0.0022936 k( 162) = ( 0.0000000 0.0000000 0.0344511), wk = 0.0022936 k( 163) = ( 0.0000000 0.0000000 0.0459348), wk = 0.0022936 k( 164) = ( 0.0000000 0.0000000 0.0574185), wk = 0.0022936 k( 165) = ( 0.0000000 0.0000000 0.0689022), wk = 0.0022936 k( 166) = ( 0.0000000 0.0000000 0.0803860), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.0918697), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.1033534), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.1148371), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.1263208), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.1378045), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.1492882), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.1607719), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.1722556), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.1837393), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.1952230), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.2067067), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.2181904), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.2296742), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.2411579), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.2526416), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.2641253), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.2756090), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.2870927), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.2985764), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.3100601), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.3215438), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.3330275), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.3330275), wk = 0.0022936 k( 190) = ( 0.0113636 -0.0000000 0.3330275), wk = 0.0022936 k( 191) = ( 0.0227273 -0.0000000 0.3330275), wk = 0.0022936 k( 192) = ( 0.0340909 -0.0000000 0.3330275), wk = 0.0022936 k( 193) = ( 0.0454546 -0.0000000 0.3330275), wk = 0.0022936 k( 194) = ( 0.0568182 -0.0000000 0.3330275), wk = 0.0022936 k( 195) = ( 0.0681818 -0.0000000 0.3330275), wk = 0.0022936 k( 196) = ( 0.0795455 -0.0000000 0.3330275), wk = 0.0022936 k( 197) = ( 0.0909091 -0.0000000 0.3330275), wk = 0.0022936 k( 198) = ( 0.1022727 -0.0000000 0.3330275), wk = 0.0022936 k( 199) = ( 0.1136364 -0.0000000 0.3330275), wk = 0.0022936 k( 200) = ( 0.1250000 -0.0000000 0.3330275), wk = 0.0022936 k( 201) = ( 0.1363636 -0.0000000 0.3330275), wk = 0.0022936 k( 202) = ( 0.1477273 -0.0000000 0.3330275), wk = 0.0022936 k( 203) = ( 0.1590909 -0.0000000 0.3330275), wk = 0.0022936 k( 204) = ( 0.1704546 -0.0000000 0.3330275), wk = 0.0022936 k( 205) = ( 0.1818182 -0.0000000 0.3330275), wk = 0.0022936 k( 206) = ( 0.1931818 -0.0000000 0.3330275), wk = 0.0022936 k( 207) = ( 0.2045454 -0.0000000 0.3330275), wk = 0.0022936 k( 208) = ( 0.2159091 -0.0000000 0.3330275), wk = 0.0022936 k( 209) = ( 0.2272727 -0.0000000 0.3330275), wk = 0.0022936 k( 210) = ( 0.2386364 -0.0000000 0.3330275), wk = 0.0022936 k( 211) = ( 0.2500000 -0.0000000 0.3330275), wk = 0.0022936 k( 212) = ( 0.2613636 -0.0000000 0.3330275), wk = 0.0022936 k( 213) = ( 0.2727273 -0.0000000 0.3330275), wk = 0.0022936 k( 214) = ( 0.2840909 -0.0000000 0.3330275), wk = 0.0022936 k( 215) = ( 0.2954545 -0.0000000 0.3330275), wk = 0.0022936 k( 216) = ( 0.3068182 -0.0000000 0.3330275), wk = 0.0022936 k( 217) = ( 0.3181818 -0.0000000 0.3330275), wk = 0.0022936 k( 218) = ( 0.3295455 -0.0000000 0.3330275), wk = 0.0022936 k( 219) = ( 0.3409091 -0.0000000 0.3330275), wk = 0.0022936 k( 220) = ( 0.3522727 -0.0000000 0.3330275), wk = 0.0022936 k( 221) = ( 0.3636364 -0.0000000 0.3330275), wk = 0.0022936 k( 222) = ( 0.3750000 -0.0000000 0.3330275), wk = 0.0022936 k( 223) = ( 0.3863636 -0.0000000 0.3330275), wk = 0.0022936 k( 224) = ( 0.3977273 -0.0000000 0.3330275), wk = 0.0022936 k( 225) = ( 0.4090909 -0.0000000 0.3330275), wk = 0.0022936 k( 226) = ( 0.4204545 -0.0000000 0.3330275), wk = 0.0022936 k( 227) = ( 0.4318182 -0.0000000 0.3330275), wk = 0.0022936 k( 228) = ( 0.4431818 -0.0000000 0.3330275), wk = 0.0022936 k( 229) = ( 0.4545455 -0.0000000 0.3330275), wk = 0.0022936 k( 230) = ( 0.4659091 -0.0000000 0.3330275), wk = 0.0022936 k( 231) = ( 0.4772727 -0.0000000 0.3330275), wk = 0.0022936 k( 232) = ( 0.4886364 -0.0000000 0.3330275), wk = 0.0022936 k( 233) = ( 0.5000000 -0.0000000 0.3330275), wk = 0.0022936 k( 234) = ( 0.5000000 -0.0000000 0.3330275), wk = 0.0022936 k( 235) = ( 0.5000000 0.0113402 0.3330275), wk = 0.0022936 k( 236) = ( 0.5000000 0.0226804 0.3330275), wk = 0.0022936 k( 237) = ( 0.5000000 0.0340206 0.3330275), wk = 0.0022936 k( 238) = ( 0.5000000 0.0453608 0.3330275), wk = 0.0022936 k( 239) = ( 0.5000000 0.0567010 0.3330275), wk = 0.0022936 k( 240) = ( 0.5000000 0.0680412 0.3330275), wk = 0.0022936 k( 241) = ( 0.5000000 0.0793814 0.3330275), wk = 0.0022936 k( 242) = ( 0.5000000 0.0907216 0.3330275), wk = 0.0022936 k( 243) = ( 0.5000000 0.1020619 0.3330275), wk = 0.0022936 k( 244) = ( 0.5000000 0.1134021 0.3330275), wk = 0.0022936 k( 245) = ( 0.5000000 0.1247423 0.3330275), wk = 0.0022936 k( 246) = ( 0.5000000 0.1360825 0.3330275), wk = 0.0022936 k( 247) = ( 0.5000000 0.1474227 0.3330275), wk = 0.0022936 k( 248) = ( 0.5000000 0.1587629 0.3330275), wk = 0.0022936 k( 249) = ( 0.5000000 0.1701031 0.3330275), wk = 0.0022936 k( 250) = ( 0.5000000 0.1814433 0.3330275), wk = 0.0022936 k( 251) = ( 0.5000000 0.1927835 0.3330275), wk = 0.0022936 k( 252) = ( 0.5000000 0.2041237 0.3330275), wk = 0.0022936 k( 253) = ( 0.5000000 0.2154639 0.3330275), wk = 0.0022936 k( 254) = ( 0.5000000 0.2268041 0.3330275), wk = 0.0022936 k( 255) = ( 0.5000000 0.2381443 0.3330275), wk = 0.0022936 k( 256) = ( 0.5000000 0.2494845 0.3330275), wk = 0.0022936 k( 257) = ( 0.5000000 0.2608247 0.3330275), wk = 0.0022936 k( 258) = ( 0.5000000 0.2721649 0.3330275), wk = 0.0022936 k( 259) = ( 0.5000000 0.2835052 0.3330275), wk = 0.0022936 k( 260) = ( 0.5000000 0.2948454 0.3330275), wk = 0.0022936 k( 261) = ( 0.5000000 0.3061856 0.3330275), wk = 0.0022936 k( 262) = ( 0.5000000 0.3175258 0.3330275), wk = 0.0022936 k( 263) = ( 0.5000000 0.3288660 0.3330275), wk = 0.0022936 k( 264) = ( 0.5000000 0.3402062 0.3330275), wk = 0.0022936 k( 265) = ( 0.5000000 0.3515464 0.3330275), wk = 0.0022936 k( 266) = ( 0.5000000 0.3628866 0.3330275), wk = 0.0022936 k( 267) = ( 0.5000000 0.3742268 0.3330275), wk = 0.0022936 k( 268) = ( 0.5000000 0.3742268 0.3330275), wk = 0.0022936 k( 269) = ( 0.4886364 0.3742268 0.3330275), wk = 0.0022936 k( 270) = ( 0.4772727 0.3742268 0.3330275), wk = 0.0022936 k( 271) = ( 0.4659091 0.3742268 0.3330275), wk = 0.0022936 k( 272) = ( 0.4545455 0.3742268 0.3330275), wk = 0.0022936 k( 273) = ( 0.4431818 0.3742268 0.3330275), wk = 0.0022936 k( 274) = ( 0.4318182 0.3742268 0.3330275), wk = 0.0022936 k( 275) = ( 0.4204545 0.3742268 0.3330275), wk = 0.0022936 k( 276) = ( 0.4090909 0.3742268 0.3330275), wk = 0.0022936 k( 277) = ( 0.3977273 0.3742268 0.3330275), wk = 0.0022936 k( 278) = ( 0.3863636 0.3742268 0.3330275), wk = 0.0022936 k( 279) = ( 0.3750000 0.3742268 0.3330275), wk = 0.0022936 k( 280) = ( 0.3636364 0.3742268 0.3330275), wk = 0.0022936 k( 281) = ( 0.3522727 0.3742268 0.3330275), wk = 0.0022936 k( 282) = ( 0.3409091 0.3742268 0.3330275), wk = 0.0022936 k( 283) = ( 0.3295455 0.3742268 0.3330275), wk = 0.0022936 k( 284) = ( 0.3181818 0.3742268 0.3330275), wk = 0.0022936 k( 285) = ( 0.3068182 0.3742268 0.3330275), wk = 0.0022936 k( 286) = ( 0.2954545 0.3742268 0.3330275), wk = 0.0022936 k( 287) = ( 0.2840909 0.3742268 0.3330275), wk = 0.0022936 k( 288) = ( 0.2727273 0.3742268 0.3330275), wk = 0.0022936 k( 289) = ( 0.2613636 0.3742268 0.3330275), wk = 0.0022936 k( 290) = ( 0.2500000 0.3742268 0.3330275), wk = 0.0022936 k( 291) = ( 0.2386364 0.3742268 0.3330275), wk = 0.0022936 k( 292) = ( 0.2272727 0.3742268 0.3330275), wk = 0.0022936 k( 293) = ( 0.2159091 0.3742268 0.3330275), wk = 0.0022936 k( 294) = ( 0.2045454 0.3742268 0.3330275), wk = 0.0022936 k( 295) = ( 0.1931818 0.3742268 0.3330275), wk = 0.0022936 k( 296) = ( 0.1818182 0.3742268 0.3330275), wk = 0.0022936 k( 297) = ( 0.1704546 0.3742268 0.3330275), wk = 0.0022936 k( 298) = ( 0.1590909 0.3742268 0.3330275), wk = 0.0022936 k( 299) = ( 0.1477273 0.3742268 0.3330275), wk = 0.0022936 k( 300) = ( 0.1363636 0.3742268 0.3330275), wk = 0.0022936 k( 301) = ( 0.1250000 0.3742268 0.3330275), wk = 0.0022936 k( 302) = ( 0.1136364 0.3742268 0.3330275), wk = 0.0022936 k( 303) = ( 0.1022727 0.3742268 0.3330275), wk = 0.0022936 k( 304) = ( 0.0909091 0.3742268 0.3330275), wk = 0.0022936 k( 305) = ( 0.0795455 0.3742268 0.3330275), wk = 0.0022936 k( 306) = ( 0.0681818 0.3742268 0.3330275), wk = 0.0022936 k( 307) = ( 0.0568182 0.3742268 0.3330275), wk = 0.0022936 k( 308) = ( 0.0454546 0.3742268 0.3330275), wk = 0.0022936 k( 309) = ( 0.0340909 0.3742268 0.3330275), wk = 0.0022936 k( 310) = ( 0.0227273 0.3742268 0.3330275), wk = 0.0022936 k( 311) = ( 0.0113636 0.3742268 0.3330275), wk = 0.0022936 k( 312) = ( 0.0000000 0.3742268 0.3330275), wk = 0.0022936 k( 313) = ( 0.0000000 0.3742268 0.3330275), wk = 0.0022936 k( 314) = ( 0.0000000 0.3628866 0.3330275), wk = 0.0022936 k( 315) = ( 0.0000000 0.3515464 0.3330275), wk = 0.0022936 k( 316) = ( 0.0000000 0.3402062 0.3330275), wk = 0.0022936 k( 317) = ( 0.0000000 0.3288660 0.3330275), wk = 0.0022936 k( 318) = ( 0.0000000 0.3175258 0.3330275), wk = 0.0022936 k( 319) = ( 0.0000000 0.3061856 0.3330275), wk = 0.0022936 k( 320) = ( 0.0000000 0.2948454 0.3330275), wk = 0.0022936 k( 321) = ( 0.0000000 0.2835052 0.3330275), wk = 0.0022936 k( 322) = ( 0.0000000 0.2721649 0.3330275), wk = 0.0022936 k( 323) = ( 0.0000000 0.2608247 0.3330275), wk = 0.0022936 k( 324) = ( 0.0000000 0.2494845 0.3330275), wk = 0.0022936 k( 325) = ( 0.0000000 0.2381443 0.3330275), wk = 0.0022936 k( 326) = ( 0.0000000 0.2268041 0.3330275), wk = 0.0022936 k( 327) = ( 0.0000000 0.2154639 0.3330275), wk = 0.0022936 k( 328) = ( 0.0000000 0.2041237 0.3330275), wk = 0.0022936 k( 329) = ( 0.0000000 0.1927835 0.3330275), wk = 0.0022936 k( 330) = ( 0.0000000 0.1814433 0.3330275), wk = 0.0022936 k( 331) = ( 0.0000000 0.1701031 0.3330275), wk = 0.0022936 k( 332) = ( 0.0000000 0.1587629 0.3330275), wk = 0.0022936 k( 333) = ( 0.0000000 0.1474227 0.3330275), wk = 0.0022936 k( 334) = ( 0.0000000 0.1360825 0.3330275), wk = 0.0022936 k( 335) = ( 0.0000000 0.1247423 0.3330275), wk = 0.0022936 k( 336) = ( 0.0000000 0.1134021 0.3330275), wk = 0.0022936 k( 337) = ( 0.0000000 0.1020619 0.3330275), wk = 0.0022936 k( 338) = ( 0.0000000 0.0907216 0.3330275), wk = 0.0022936 k( 339) = ( 0.0000000 0.0793814 0.3330275), wk = 0.0022936 k( 340) = ( 0.0000000 0.0680412 0.3330275), wk = 0.0022936 k( 341) = ( 0.0000000 0.0567010 0.3330275), wk = 0.0022936 k( 342) = ( 0.0000000 0.0453608 0.3330275), wk = 0.0022936 k( 343) = ( 0.0000000 0.0340206 0.3330275), wk = 0.0022936 k( 344) = ( 0.0000000 0.0226804 0.3330275), wk = 0.0022936 k( 345) = ( 0.0000000 0.0113402 0.3330275), wk = 0.0022936 k( 346) = ( 0.0000000 0.0000000 0.3330275), wk = 0.0022936 k( 347) = ( 0.0000000 0.3742268 -0.0000000), wk = 0.0022936 k( 348) = ( 0.0000000 0.3742268 0.0114837), wk = 0.0022936 k( 349) = ( 0.0000000 0.3742268 0.0229674), wk = 0.0022936 k( 350) = ( 0.0000000 0.3742268 0.0344511), wk = 0.0022936 k( 351) = ( 0.0000000 0.3742268 0.0459348), wk = 0.0022936 k( 352) = ( 0.0000000 0.3742268 0.0574185), wk = 0.0022936 k( 353) = ( 0.0000000 0.3742268 0.0689022), wk = 0.0022936 k( 354) = ( 0.0000000 0.3742268 0.0803860), wk = 0.0022936 k( 355) = ( 0.0000000 0.3742268 0.0918697), wk = 0.0022936 k( 356) = ( 0.0000000 0.3742268 0.1033534), wk = 0.0022936 k( 357) = ( 0.0000000 0.3742268 0.1148371), wk = 0.0022936 k( 358) = ( 0.0000000 0.3742268 0.1263208), wk = 0.0022936 k( 359) = ( 0.0000000 0.3742268 0.1378045), wk = 0.0022936 k( 360) = ( 0.0000000 0.3742268 0.1492882), wk = 0.0022936 k( 361) = ( 0.0000000 0.3742268 0.1607719), wk = 0.0022936 k( 362) = ( 0.0000000 0.3742268 0.1722556), wk = 0.0022936 k( 363) = ( 0.0000000 0.3742268 0.1837393), wk = 0.0022936 k( 364) = ( 0.0000000 0.3742268 0.1952230), wk = 0.0022936 k( 365) = ( 0.0000000 0.3742268 0.2067067), wk = 0.0022936 k( 366) = ( 0.0000000 0.3742268 0.2181904), wk = 0.0022936 k( 367) = ( 0.0000000 0.3742268 0.2296742), wk = 0.0022936 k( 368) = ( 0.0000000 0.3742268 0.2411579), wk = 0.0022936 k( 369) = ( 0.0000000 0.3742268 0.2526416), wk = 0.0022936 k( 370) = ( 0.0000000 0.3742268 0.2641253), wk = 0.0022936 k( 371) = ( 0.0000000 0.3742268 0.2756090), wk = 0.0022936 k( 372) = ( 0.0000000 0.3742268 0.2870927), wk = 0.0022936 k( 373) = ( 0.0000000 0.3742268 0.2985764), wk = 0.0022936 k( 374) = ( 0.0000000 0.3742268 0.3100601), wk = 0.0022936 k( 375) = ( 0.0000000 0.3742268 0.3215438), wk = 0.0022936 k( 376) = ( 0.0000000 0.3742268 0.3330275), wk = 0.0022936 k( 377) = ( 0.5000000 -0.0000000 0.3330275), wk = 0.0022936 k( 378) = ( 0.5000000 -0.0000000 0.3215438), wk = 0.0022936 k( 379) = ( 0.5000000 -0.0000000 0.3100601), wk = 0.0022936 k( 380) = ( 0.5000000 -0.0000000 0.2985764), wk = 0.0022936 k( 381) = ( 0.5000000 -0.0000000 0.2870927), wk = 0.0022936 k( 382) = ( 0.5000000 -0.0000000 0.2756090), wk = 0.0022936 k( 383) = ( 0.5000000 -0.0000000 0.2641253), wk = 0.0022936 k( 384) = ( 0.5000000 -0.0000000 0.2526416), wk = 0.0022936 k( 385) = ( 0.5000000 -0.0000000 0.2411579), wk = 0.0022936 k( 386) = ( 0.5000000 -0.0000000 0.2296742), wk = 0.0022936 k( 387) = ( 0.5000000 -0.0000000 0.2181904), wk = 0.0022936 k( 388) = ( 0.5000000 -0.0000000 0.2067067), wk = 0.0022936 k( 389) = ( 0.5000000 -0.0000000 0.1952230), wk = 0.0022936 k( 390) = ( 0.5000000 -0.0000000 0.1837393), wk = 0.0022936 k( 391) = ( 0.5000000 -0.0000000 0.1722556), wk = 0.0022936 k( 392) = ( 0.5000000 -0.0000000 0.1607719), wk = 0.0022936 k( 393) = ( 0.5000000 -0.0000000 0.1492882), wk = 0.0022936 k( 394) = ( 0.5000000 -0.0000000 0.1378045), wk = 0.0022936 k( 395) = ( 0.5000000 -0.0000000 0.1263208), wk = 0.0022936 k( 396) = ( 0.5000000 -0.0000000 0.1148371), wk = 0.0022936 k( 397) = ( 0.5000000 -0.0000000 0.1033534), wk = 0.0022936 k( 398) = ( 0.5000000 -0.0000000 0.0918697), wk = 0.0022936 k( 399) = ( 0.5000000 -0.0000000 0.0803860), wk = 0.0022936 k( 400) = ( 0.5000000 -0.0000000 0.0689022), wk = 0.0022936 k( 401) = ( 0.5000000 -0.0000000 0.0574185), wk = 0.0022936 k( 402) = ( 0.5000000 -0.0000000 0.0459348), wk = 0.0022936 k( 403) = ( 0.5000000 -0.0000000 0.0344511), wk = 0.0022936 k( 404) = ( 0.5000000 -0.0000000 0.0229674), wk = 0.0022936 k( 405) = ( 0.5000000 -0.0000000 0.0114837), wk = 0.0022936 k( 406) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022936 k( 407) = ( 0.5000000 0.3742268 -0.0000000), wk = 0.0022936 k( 408) = ( 0.5000000 0.3742268 0.0114837), wk = 0.0022936 k( 409) = ( 0.5000000 0.3742268 0.0229674), wk = 0.0022936 k( 410) = ( 0.5000000 0.3742268 0.0344511), wk = 0.0022936 k( 411) = ( 0.5000000 0.3742268 0.0459348), wk = 0.0022936 k( 412) = ( 0.5000000 0.3742268 0.0574185), wk = 0.0022936 k( 413) = ( 0.5000000 0.3742268 0.0689022), wk = 0.0022936 k( 414) = ( 0.5000000 0.3742268 0.0803860), wk = 0.0022936 k( 415) = ( 0.5000000 0.3742268 0.0918697), wk = 0.0022936 k( 416) = ( 0.5000000 0.3742268 0.1033534), wk = 0.0022936 k( 417) = ( 0.5000000 0.3742268 0.1148371), wk = 0.0022936 k( 418) = ( 0.5000000 0.3742268 0.1263208), wk = 0.0022936 k( 419) = ( 0.5000000 0.3742268 0.1378045), wk = 0.0022936 k( 420) = ( 0.5000000 0.3742268 0.1492882), wk = 0.0022936 k( 421) = ( 0.5000000 0.3742268 0.1607719), wk = 0.0022936 k( 422) = ( 0.5000000 0.3742268 0.1722556), wk = 0.0022936 k( 423) = ( 0.5000000 0.3742268 0.1837393), wk = 0.0022936 k( 424) = ( 0.5000000 0.3742268 0.1952230), wk = 0.0022936 k( 425) = ( 0.5000000 0.3742268 0.2067067), wk = 0.0022936 k( 426) = ( 0.5000000 0.3742268 0.2181904), wk = 0.0022936 k( 427) = ( 0.5000000 0.3742268 0.2296742), wk = 0.0022936 k( 428) = ( 0.5000000 0.3742268 0.2411579), wk = 0.0022936 k( 429) = ( 0.5000000 0.3742268 0.2526416), wk = 0.0022936 k( 430) = ( 0.5000000 0.3742268 0.2641253), wk = 0.0022936 k( 431) = ( 0.5000000 0.3742268 0.2756090), wk = 0.0022936 k( 432) = ( 0.5000000 0.3742268 0.2870927), wk = 0.0022936 k( 433) = ( 0.5000000 0.3742268 0.2985764), wk = 0.0022936 k( 434) = ( 0.5000000 0.3742268 0.3100601), wk = 0.0022936 k( 435) = ( 0.5000000 0.3742268 0.3215438), wk = 0.0022936 k( 436) = ( 0.5000000 0.3742268 0.3330275), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0022936 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0022936 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0022936 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0022936 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0022936 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0022936 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0022936 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0022936 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0022936 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0022936 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0022936 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0022936 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0022936 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0022936 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0022936 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0022936 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0022936 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0022936 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0022936 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0022936 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0022936 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0022936 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0022936 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0022936 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0022936 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0022936 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0022936 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0022936 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0022936 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0022936 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0022936 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0022936 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0022936 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0022936 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0022936 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0022936 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0022936 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0022936 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0022936 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0022936 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0022936 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0022936 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0022936 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022936 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022936 k( 47) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0022936 k( 48) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0022936 k( 49) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0022936 k( 50) = ( 0.5000000 0.0606061 0.0000000), wk = 0.0022936 k( 51) = ( 0.5000000 0.0757576 0.0000000), wk = 0.0022936 k( 52) = ( 0.5000000 0.0909091 0.0000000), wk = 0.0022936 k( 53) = ( 0.5000000 0.1060606 0.0000000), wk = 0.0022936 k( 54) = ( 0.5000000 0.1212121 0.0000000), wk = 0.0022936 k( 55) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0022936 k( 56) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0022936 k( 57) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0022936 k( 58) = ( 0.5000000 0.1818182 -0.0000000), wk = 0.0022936 k( 59) = ( 0.5000000 0.1969697 0.0000000), wk = 0.0022936 k( 60) = ( 0.5000000 0.2121212 0.0000000), wk = 0.0022936 k( 61) = ( 0.5000000 0.2272727 -0.0000000), wk = 0.0022936 k( 62) = ( 0.5000000 0.2424242 0.0000000), wk = 0.0022936 k( 63) = ( 0.5000000 0.2575758 -0.0000000), wk = 0.0022936 k( 64) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0022936 k( 65) = ( 0.5000000 0.2878788 0.0000000), wk = 0.0022936 k( 66) = ( 0.5000000 0.3030303 0.0000000), wk = 0.0022936 k( 67) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0022936 k( 68) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0022936 k( 69) = ( 0.5000000 0.3484848 0.0000000), wk = 0.0022936 k( 70) = ( 0.5000000 0.3636364 -0.0000000), wk = 0.0022936 k( 71) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0022936 k( 72) = ( 0.5000000 0.3939394 0.0000000), wk = 0.0022936 k( 73) = ( 0.5000000 0.4090909 0.0000000), wk = 0.0022936 k( 74) = ( 0.5000000 0.4242424 0.0000000), wk = 0.0022936 k( 75) = ( 0.5000000 0.4393939 0.0000000), wk = 0.0022936 k( 76) = ( 0.5000000 0.4545454 0.0000000), wk = 0.0022936 k( 77) = ( 0.5000000 0.4696970 0.0000000), wk = 0.0022936 k( 78) = ( 0.5000000 0.4848485 0.0000000), wk = 0.0022936 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 81) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0022936 k( 82) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0022936 k( 83) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0022936 k( 84) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0022936 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0022936 k( 86) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0022936 k( 87) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0022936 k( 88) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0022936 k( 89) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0022936 k( 90) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0022936 k( 91) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022936 k( 92) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0022936 k( 93) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0022936 k( 94) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0022936 k( 95) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0022936 k( 96) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0022936 k( 97) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0022936 k( 98) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0022936 k( 99) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0022936 k( 100) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0022936 k( 101) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0022936 k( 102) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0022936 k( 103) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0022936 k( 104) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0022936 k( 105) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0022936 k( 106) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0022936 k( 107) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0022936 k( 108) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0022936 k( 109) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0022936 k( 110) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0022936 k( 111) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0022936 k( 112) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0022936 k( 113) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0022936 k( 114) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0022936 k( 115) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0022936 k( 116) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0022936 k( 117) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0022936 k( 118) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0022936 k( 119) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0022936 k( 120) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0022936 k( 121) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0022936 k( 122) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0022936 k( 123) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0022936 k( 124) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022936 k( 125) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022936 k( 126) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0022936 k( 127) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0022936 k( 128) = ( 0.0000000 0.4545454 -0.0000000), wk = 0.0022936 k( 129) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0022936 k( 130) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0022936 k( 131) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0022936 k( 132) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0022936 k( 133) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0022936 k( 134) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0022936 k( 135) = ( 0.0000000 0.3484848 -0.0000000), wk = 0.0022936 k( 136) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0022936 k( 137) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0022936 k( 138) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0022936 k( 139) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0022936 k( 140) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0022936 k( 141) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0022936 k( 142) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0022936 k( 143) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0022936 k( 144) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0022936 k( 145) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0022936 k( 146) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0022936 k( 147) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0022936 k( 148) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0022936 k( 149) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0022936 k( 150) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0022936 k( 151) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0022936 k( 152) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0022936 k( 153) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0022936 k( 154) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0022936 k( 155) = ( 0.0000000 0.0454545 -0.0000000), wk = 0.0022936 k( 156) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0022936 k( 157) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0022936 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 160) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0022936 k( 161) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0022936 k( 162) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0022936 k( 163) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0022936 k( 164) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0022936 k( 165) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0022936 k( 166) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 190) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0022936 k( 191) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0022936 k( 192) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0022936 k( 193) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0022936 k( 194) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0022936 k( 195) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0022936 k( 196) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0022936 k( 197) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0022936 k( 198) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0022936 k( 199) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0022936 k( 200) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0022936 k( 201) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0022936 k( 202) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0022936 k( 203) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0022936 k( 204) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0022936 k( 205) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0022936 k( 206) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0022936 k( 207) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0022936 k( 208) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0022936 k( 209) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0022936 k( 210) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0022936 k( 211) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0022936 k( 212) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0022936 k( 213) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0022936 k( 214) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0022936 k( 215) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0022936 k( 216) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0022936 k( 217) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0022936 k( 218) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0022936 k( 219) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0022936 k( 220) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0022936 k( 221) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0022936 k( 222) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0022936 k( 223) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0022936 k( 224) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0022936 k( 225) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0022936 k( 226) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0022936 k( 227) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0022936 k( 228) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0022936 k( 229) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0022936 k( 230) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0022936 k( 231) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0022936 k( 232) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0022936 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022936 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022936 k( 235) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0022936 k( 236) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0022936 k( 237) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0022936 k( 238) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0022936 k( 239) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0022936 k( 240) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0022936 k( 241) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0022936 k( 242) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0022936 k( 243) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0022936 k( 244) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0022936 k( 245) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0022936 k( 246) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0022936 k( 247) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0022936 k( 248) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0022936 k( 249) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0022936 k( 250) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0022936 k( 251) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0022936 k( 252) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0022936 k( 253) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0022936 k( 254) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0022936 k( 255) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0022936 k( 256) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0022936 k( 257) = ( 0.5000000 0.3484848 0.5000000), wk = 0.0022936 k( 258) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0022936 k( 259) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0022936 k( 260) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0022936 k( 261) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0022936 k( 262) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0022936 k( 263) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0022936 k( 264) = ( 0.5000000 0.4545454 0.5000000), wk = 0.0022936 k( 265) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0022936 k( 266) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0022936 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 269) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0022936 k( 270) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0022936 k( 271) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0022936 k( 272) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0022936 k( 273) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0022936 k( 274) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0022936 k( 275) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0022936 k( 276) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0022936 k( 277) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0022936 k( 278) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0022936 k( 279) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022936 k( 280) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0022936 k( 281) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0022936 k( 282) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0022936 k( 283) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0022936 k( 284) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0022936 k( 285) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0022936 k( 286) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0022936 k( 287) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0022936 k( 288) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0022936 k( 289) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0022936 k( 290) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022936 k( 291) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0022936 k( 292) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0022936 k( 293) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0022936 k( 294) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0022936 k( 295) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0022936 k( 296) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0022936 k( 297) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0022936 k( 298) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0022936 k( 299) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0022936 k( 300) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0022936 k( 301) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022936 k( 302) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0022936 k( 303) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0022936 k( 304) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0022936 k( 305) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0022936 k( 306) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0022936 k( 307) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0022936 k( 308) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0022936 k( 309) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0022936 k( 310) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0022936 k( 311) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0022936 k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 313) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 314) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0022936 k( 315) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0022936 k( 316) = ( 0.0000000 0.4545454 0.5000000), wk = 0.0022936 k( 317) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0022936 k( 318) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0022936 k( 319) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0022936 k( 320) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0022936 k( 321) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0022936 k( 322) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0022936 k( 323) = ( 0.0000000 0.3484848 0.5000000), wk = 0.0022936 k( 324) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0022936 k( 325) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0022936 k( 326) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0022936 k( 327) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0022936 k( 328) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0022936 k( 329) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0022936 k( 330) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0022936 k( 331) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0022936 k( 332) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0022936 k( 333) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0022936 k( 334) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0022936 k( 335) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0022936 k( 336) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0022936 k( 337) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0022936 k( 338) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0022936 k( 339) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0022936 k( 340) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0022936 k( 341) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0022936 k( 342) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0022936 k( 343) = ( 0.0000000 0.0454545 0.5000000), wk = 0.0022936 k( 344) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0022936 k( 345) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0022936 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 347) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022936 k( 348) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0022936 k( 349) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0022936 k( 350) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0022936 k( 351) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0022936 k( 352) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0022936 k( 353) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0022936 k( 354) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0022936 k( 355) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0022936 k( 356) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0022936 k( 357) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0022936 k( 358) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0022936 k( 359) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0022936 k( 360) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0022936 k( 361) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0022936 k( 362) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0022936 k( 363) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0022936 k( 364) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0022936 k( 365) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0022936 k( 366) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0022936 k( 367) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0022936 k( 368) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0022936 k( 369) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0022936 k( 370) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0022936 k( 371) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0022936 k( 372) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0022936 k( 373) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0022936 k( 374) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0022936 k( 375) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0022936 k( 376) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 377) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022936 k( 378) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0022936 k( 379) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0022936 k( 380) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0022936 k( 381) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0022936 k( 382) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0022936 k( 383) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0022936 k( 384) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0022936 k( 385) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0022936 k( 386) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0022936 k( 387) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0022936 k( 388) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0022936 k( 389) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0022936 k( 390) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0022936 k( 391) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0022936 k( 392) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0022936 k( 393) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0022936 k( 394) = ( 0.5000000 0.0000000 0.2068965), wk = 0.0022936 k( 395) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0022936 k( 396) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0022936 k( 397) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0022936 k( 398) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0022936 k( 399) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0022936 k( 400) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0022936 k( 401) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0022936 k( 402) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0022936 k( 403) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0022936 k( 404) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0022936 k( 405) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0022936 k( 406) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022936 k( 407) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 408) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0022936 k( 409) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0022936 k( 410) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0022936 k( 411) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0022936 k( 412) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0022936 k( 413) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0022936 k( 414) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0022936 k( 415) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0022936 k( 416) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0022936 k( 417) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0022936 k( 418) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0022936 k( 419) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0022936 k( 420) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0022936 k( 421) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0022936 k( 422) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0022936 k( 423) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0022936 k( 424) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0022936 k( 425) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0022936 k( 426) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0022936 k( 427) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0022936 k( 428) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0022936 k( 429) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0022936 k( 430) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0022936 k( 431) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0022936 k( 432) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0022936 k( 433) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0022936 k( 434) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0022936 k( 435) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0022936 k( 436) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 Dense grid: 64689 G-vectors FFT dimensions: ( 40, 54, 60) Smooth grid: 47961 G-vectors FFT dimensions: ( 36, 48, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 352, 44) NL pseudopotentials 0.23 Mb ( 176, 84) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1797) G-vector shells 0.01 Mb ( 921) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 352, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.11 Mb ( 84, 2, 44) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./NaCN.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.5 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.1 secs Computing kpt #: 17 total cpu time spent up to now is 7.4 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 7.9 secs Computing kpt #: 20 total cpu time spent up to now is 8.2 secs Computing kpt #: 21 total cpu time spent up to now is 8.5 secs Computing kpt #: 22 total cpu time spent up to now is 8.7 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.3 secs Computing kpt #: 25 total cpu time spent up to now is 9.5 secs Computing kpt #: 26 total cpu time spent up to now is 9.8 secs Computing kpt #: 27 total cpu time spent up to now is 10.1 secs Computing kpt #: 28 total cpu time spent up to now is 10.3 secs Computing kpt #: 29 total cpu time spent up to now is 10.6 secs Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.1 secs Computing kpt #: 32 total cpu time spent up to now is 11.4 secs Computing kpt #: 33 total cpu time spent up to now is 11.6 secs Computing kpt #: 34 total cpu time spent up to now is 11.9 secs Computing kpt #: 35 total cpu time spent up to now is 12.2 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.7 secs Computing kpt #: 38 total cpu time spent up to now is 13.0 secs Computing kpt #: 39 total cpu time spent up to now is 13.2 secs Computing kpt #: 40 total cpu time spent up to now is 13.5 secs Computing kpt #: 41 total cpu time spent up to now is 13.7 secs Computing kpt #: 42 total cpu time spent up to now is 14.0 secs Computing kpt #: 43 total cpu time spent up to now is 14.3 secs Computing kpt #: 44 total cpu time spent up to now is 14.5 secs Computing kpt #: 45 total cpu time spent up to now is 14.8 secs Computing kpt #: 46 total cpu time spent up to now is 15.0 secs Computing kpt #: 47 total cpu time spent up to now is 15.3 secs Computing kpt #: 48 total cpu time spent up to now is 15.6 secs Computing kpt #: 49 total cpu time spent up to now is 15.8 secs Computing kpt #: 50 total cpu time spent up to now is 16.1 secs Computing kpt #: 51 total cpu time spent up to now is 16.3 secs Computing kpt #: 52 total cpu time spent up to now is 16.6 secs Computing kpt #: 53 total cpu time spent up to now is 16.9 secs Computing kpt #: 54 total cpu time spent up to now is 17.1 secs Computing kpt #: 55 total cpu time spent up to now is 17.4 secs Computing kpt #: 56 total cpu time spent up to now is 17.7 secs Computing kpt #: 57 total cpu time spent up to now is 17.9 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.5 secs Computing kpt #: 60 total cpu time spent up to now is 18.7 secs Computing kpt #: 61 total cpu time spent up to now is 19.0 secs Computing kpt #: 62 total cpu time spent up to now is 19.2 secs Computing kpt #: 63 total cpu time spent up to now is 19.5 secs Computing kpt #: 64 total cpu time spent up to now is 19.8 secs Computing kpt #: 65 total cpu time spent up to now is 20.0 secs Computing kpt #: 66 total cpu time spent up to now is 20.3 secs Computing kpt #: 67 total cpu time spent up to now is 20.5 secs Computing kpt #: 68 total cpu time spent up to now is 20.8 secs Computing kpt #: 69 total cpu time spent up to now is 21.1 secs Computing kpt #: 70 total cpu time spent up to now is 21.3 secs Computing kpt #: 71 total cpu time spent up to now is 21.6 secs Computing kpt #: 72 total cpu time spent up to now is 21.9 secs Computing kpt #: 73 total cpu time spent up to now is 22.1 secs Computing kpt #: 74 total cpu time spent up to now is 22.4 secs Computing kpt #: 75 total cpu time spent up to now is 22.6 secs Computing kpt #: 76 total cpu time spent up to now is 22.9 secs Computing kpt #: 77 total cpu time spent up to now is 23.1 secs Computing kpt #: 78 total cpu time spent up to now is 23.4 secs Computing kpt #: 79 total cpu time spent up to now is 23.7 secs Computing kpt #: 80 total cpu time spent up to now is 23.9 secs Computing kpt #: 81 total cpu time spent up to now is 24.2 secs Computing kpt #: 82 total cpu time spent up to now is 24.5 secs Computing kpt #: 83 total cpu time spent up to now is 24.7 secs Computing kpt #: 84 total cpu time spent up to now is 25.0 secs Computing kpt #: 85 total cpu time spent up to now is 25.2 secs Computing kpt #: 86 total cpu time spent up to now is 25.5 secs Computing kpt #: 87 total cpu time spent up to now is 25.8 secs Computing kpt #: 88 total cpu time spent up to now is 26.0 secs Computing kpt #: 89 total cpu time spent up to now is 26.3 secs Computing kpt #: 90 total cpu time spent up to now is 26.5 secs Computing kpt #: 91 total cpu time spent up to now is 26.8 secs Computing kpt #: 92 total cpu time spent up to now is 27.1 secs Computing kpt #: 93 total cpu time spent up to now is 27.3 secs Computing kpt #: 94 total cpu time spent up to now is 27.6 secs Computing kpt #: 95 total cpu time spent up to now is 27.8 secs Computing kpt #: 96 total cpu time spent up to now is 28.1 secs Computing kpt #: 97 total cpu time spent up to now is 28.4 secs Computing kpt #: 98 total cpu time spent up to now is 28.6 secs Computing kpt #: 99 total cpu time spent up to now is 28.9 secs Computing kpt #: 100 total cpu time spent up to now is 29.2 secs Computing kpt #: 101 total cpu time spent up to now is 29.4 secs Computing kpt #: 102 total cpu time spent up to now is 29.7 secs Computing kpt #: 103 total cpu time spent up to now is 30.0 secs Computing kpt #: 104 total cpu time spent up to now is 30.2 secs Computing kpt #: 105 total cpu time spent up to now is 30.5 secs Computing kpt #: 106 total cpu time spent up to now is 30.8 secs Computing kpt #: 107 total cpu time spent up to now is 31.1 secs Computing kpt #: 108 total cpu time spent up to now is 31.3 secs Computing kpt #: 109 total cpu time spent up to now is 31.6 secs Computing kpt #: 110 total cpu time spent up to now is 31.9 secs Computing kpt #: 111 total cpu time spent up to now is 32.1 secs Computing kpt #: 112 total cpu time spent up to now is 32.4 secs Computing kpt #: 113 total cpu time spent up to now is 32.7 secs Computing kpt #: 114 total cpu time spent up to now is 32.9 secs Computing kpt #: 115 total cpu time spent up to now is 33.2 secs Computing kpt #: 116 total cpu time spent up to now is 33.5 secs Computing kpt #: 117 total cpu time spent up to now is 33.9 secs Computing kpt #: 118 total cpu time spent up to now is 34.2 secs Computing kpt #: 119 total cpu time spent up to now is 34.5 secs Computing kpt #: 120 total cpu time spent up to now is 34.9 secs Computing kpt #: 121 total cpu time spent up to now is 35.2 secs Computing kpt #: 122 total cpu time spent up to now is 35.5 secs Computing kpt #: 123 total cpu time spent up to now is 35.8 secs Computing kpt #: 124 total cpu time spent up to now is 36.0 secs Computing kpt #: 125 total cpu time spent up to now is 36.3 secs Computing kpt #: 126 total cpu time spent up to now is 36.6 secs Computing kpt #: 127 total cpu time spent up to now is 36.9 secs Computing kpt #: 128 total cpu time spent up to now is 37.1 secs Computing kpt #: 129 total cpu time spent up to now is 37.5 secs Computing kpt #: 130 total cpu time spent up to now is 37.8 secs Computing kpt #: 131 total cpu time spent up to now is 38.0 secs Computing kpt #: 132 total cpu time spent up to now is 38.3 secs Computing kpt #: 133 total cpu time spent up to now is 38.6 secs Computing kpt #: 134 total cpu time spent up to now is 38.9 secs Computing kpt #: 135 total cpu time spent up to now is 39.3 secs Computing kpt #: 136 total cpu time spent up to now is 39.6 secs Computing kpt #: 137 total cpu time spent up to now is 40.0 secs Computing kpt #: 138 total cpu time spent up to now is 40.3 secs Computing kpt #: 139 total cpu time spent up to now is 40.7 secs Computing kpt #: 140 total cpu time spent up to now is 41.0 secs Computing kpt #: 141 total cpu time spent up to now is 41.3 secs Computing kpt #: 142 total cpu time spent up to now is 41.8 secs Computing kpt #: 143 total cpu time spent up to now is 42.1 secs Computing kpt #: 144 total cpu time spent up to now is 42.4 secs Computing kpt #: 145 total cpu time spent up to now is 42.7 secs Computing kpt #: 146 total cpu time spent up to now is 43.0 secs Computing kpt #: 147 total cpu time spent up to now is 43.3 secs Computing kpt #: 148 total cpu time spent up to now is 43.6 secs Computing kpt #: 149 total cpu time spent up to now is 43.9 secs Computing kpt #: 150 total cpu time spent up to now is 44.2 secs Computing kpt #: 151 total cpu time spent up to now is 44.5 secs Computing kpt #: 152 total cpu time spent up to now is 44.8 secs Computing kpt #: 153 total cpu time spent up to now is 45.1 secs Computing kpt #: 154 total cpu time spent up to now is 45.4 secs Computing kpt #: 155 total cpu time spent up to now is 45.7 secs Computing kpt #: 156 total cpu time spent up to now is 46.0 secs Computing kpt #: 157 total cpu time spent up to now is 46.3 secs Computing kpt #: 158 total cpu time spent up to now is 46.6 secs Computing kpt #: 159 total cpu time spent up to now is 46.8 secs Computing kpt #: 160 total cpu time spent up to now is 47.1 secs Computing kpt #: 161 total cpu time spent up to now is 47.4 secs Computing kpt #: 162 total cpu time spent up to now is 47.7 secs Computing kpt #: 163 total cpu time spent up to now is 48.0 secs Computing kpt #: 164 total cpu time spent up to now is 48.3 secs Computing kpt #: 165 total cpu time spent up to now is 48.6 secs Computing kpt #: 166 total cpu time spent up to now is 48.9 secs Computing kpt #: 167 total cpu time spent up to now is 49.2 secs Computing kpt #: 168 total cpu time spent up to now is 49.5 secs Computing kpt #: 169 total cpu time spent up to now is 49.8 secs Computing kpt #: 170 total cpu time spent up to now is 50.1 secs Computing kpt #: 171 total cpu time spent up to now is 50.4 secs Computing kpt #: 172 total cpu time spent up to now is 50.7 secs Computing kpt #: 173 total cpu time spent up to now is 50.9 secs Computing kpt #: 174 total cpu time spent up to now is 51.2 secs Computing kpt #: 175 total cpu time spent up to now is 51.5 secs Computing kpt #: 176 total cpu time spent up to now is 51.8 secs Computing kpt #: 177 total cpu time spent up to now is 52.1 secs Computing kpt #: 178 total cpu time spent up to now is 52.4 secs Computing kpt #: 179 total cpu time spent up to now is 52.6 secs Computing kpt #: 180 total cpu time spent up to now is 52.9 secs Computing kpt #: 181 total cpu time spent up to now is 53.2 secs Computing kpt #: 182 total cpu time spent up to now is 53.4 secs Computing kpt #: 183 total cpu time spent up to now is 53.7 secs Computing kpt #: 184 total cpu time spent up to now is 54.0 secs Computing kpt #: 185 total cpu time spent up to now is 54.3 secs Computing kpt #: 186 total cpu time spent up to now is 54.5 secs Computing kpt #: 187 total cpu time spent up to now is 54.8 secs Computing kpt #: 188 total cpu time spent up to now is 55.0 secs Computing kpt #: 189 total cpu time spent up to now is 55.3 secs Computing kpt #: 190 total cpu time spent up to now is 55.6 secs Computing kpt #: 191 total cpu time spent up to now is 55.8 secs Computing kpt #: 192 total cpu time spent up to now is 56.1 secs Computing kpt #: 193 total cpu time spent up to now is 56.4 secs Computing kpt #: 194 total cpu time spent up to now is 56.6 secs Computing kpt #: 195 total cpu time spent up to now is 56.9 secs Computing kpt #: 196 total cpu time spent up to now is 57.2 secs Computing kpt #: 197 total cpu time spent up to now is 57.4 secs Computing kpt #: 198 total cpu time spent up to now is 57.7 secs Computing kpt #: 199 total cpu time spent up to now is 58.0 secs Computing kpt #: 200 total cpu time spent up to now is 58.3 secs Computing kpt #: 201 total cpu time spent up to now is 58.5 secs Computing kpt #: 202 total cpu time spent up to now is 58.8 secs Computing kpt #: 203 total cpu time spent up to now is 59.1 secs Computing kpt #: 204 total cpu time spent up to now is 59.3 secs Computing kpt #: 205 total cpu time spent up to now is 59.6 secs Computing kpt #: 206 total cpu time spent up to now is 59.9 secs Computing kpt #: 207 total cpu time spent up to now is 60.1 secs Computing kpt #: 208 total cpu time spent up to now is 60.4 secs Computing kpt #: 209 total cpu time spent up to now is 60.7 secs Computing kpt #: 210 total cpu time spent up to now is 60.9 secs Computing kpt #: 211 total cpu time spent up to now is 61.2 secs Computing kpt #: 212 total cpu time spent up to now is 61.5 secs Computing kpt #: 213 total cpu time spent up to now is 61.7 secs Computing kpt #: 214 total cpu time spent up to now is 62.0 secs Computing kpt #: 215 total cpu time spent up to now is 62.3 secs Computing kpt #: 216 total cpu time spent up to now is 62.5 secs Computing kpt #: 217 total cpu time spent up to now is 62.8 secs Computing kpt #: 218 total cpu time spent up to now is 63.0 secs Computing kpt #: 219 total cpu time spent up to now is 63.3 secs Computing kpt #: 220 total cpu time spent up to now is 63.6 secs Computing kpt #: 221 total cpu time spent up to now is 63.9 secs Computing kpt #: 222 total cpu time spent up to now is 64.4 secs Computing kpt #: 223 total cpu time spent up to now is 64.6 secs Computing kpt #: 224 total cpu time spent up to now is 64.9 secs Computing kpt #: 225 total cpu time spent up to now is 65.2 secs Computing kpt #: 226 total cpu time spent up to now is 65.4 secs Computing kpt #: 227 total cpu time spent up to now is 65.7 secs Computing kpt #: 228 total cpu time spent up to now is 65.9 secs Computing kpt #: 229 total cpu time spent up to now is 66.2 secs Computing kpt #: 230 total cpu time spent up to now is 66.4 secs Computing kpt #: 231 total cpu time spent up to now is 66.7 secs Computing kpt #: 232 total cpu time spent up to now is 66.9 secs Computing kpt #: 233 total cpu time spent up to now is 67.2 secs Computing kpt #: 234 total cpu time spent up to now is 67.4 secs Computing kpt #: 235 total cpu time spent up to now is 67.6 secs Computing kpt #: 236 total cpu time spent up to now is 67.9 secs Computing kpt #: 237 total cpu time spent up to now is 68.2 secs Computing kpt #: 238 total cpu time spent up to now is 68.4 secs Computing kpt #: 239 total cpu time spent up to now is 68.7 secs Computing kpt #: 240 total cpu time spent up to now is 68.9 secs Computing kpt #: 241 total cpu time spent up to now is 69.2 secs Computing kpt #: 242 total cpu time spent up to now is 69.5 secs Computing kpt #: 243 total cpu time spent up to now is 69.7 secs Computing kpt #: 244 total cpu time spent up to now is 70.0 secs Computing kpt #: 245 total cpu time spent up to now is 70.3 secs Computing kpt #: 246 total cpu time spent up to now is 70.5 secs Computing kpt #: 247 total cpu time spent up to now is 70.8 secs Computing kpt #: 248 total cpu time spent up to now is 71.1 secs Computing kpt #: 249 total cpu time spent up to now is 71.3 secs Computing kpt #: 250 total cpu time spent up to now is 71.6 secs Computing kpt #: 251 total cpu time spent up to now is 71.8 secs Computing kpt #: 252 total cpu time spent up to now is 72.1 secs Computing kpt #: 253 total cpu time spent up to now is 72.4 secs Computing kpt #: 254 total cpu time spent up to now is 72.6 secs Computing kpt #: 255 total cpu time spent up to now is 72.9 secs Computing kpt #: 256 total cpu time spent up to now is 73.1 secs Computing kpt #: 257 total cpu time spent up to now is 73.4 secs Computing kpt #: 258 total cpu time spent up to now is 73.7 secs Computing kpt #: 259 total cpu time spent up to now is 73.9 secs Computing kpt #: 260 total cpu time spent up to now is 74.2 secs Computing kpt #: 261 total cpu time spent up to now is 74.4 secs Computing kpt #: 262 total cpu time spent up to now is 74.7 secs Computing kpt #: 263 total cpu time spent up to now is 74.9 secs Computing kpt #: 264 total cpu time spent up to now is 75.2 secs Computing kpt #: 265 total cpu time spent up to now is 75.4 secs Computing kpt #: 266 total cpu time spent up to now is 75.7 secs Computing kpt #: 267 total cpu time spent up to now is 75.9 secs Computing kpt #: 268 total cpu time spent up to now is 76.2 secs Computing kpt #: 269 total cpu time spent up to now is 76.5 secs Computing kpt #: 270 total cpu time spent up to now is 76.7 secs Computing kpt #: 271 total cpu time spent up to now is 77.0 secs Computing kpt #: 272 total cpu time spent up to now is 77.2 secs Computing kpt #: 273 total cpu time spent up to now is 77.5 secs Computing kpt #: 274 total cpu time spent up to now is 77.8 secs Computing kpt #: 275 total cpu time spent up to now is 78.0 secs Computing kpt #: 276 total cpu time spent up to now is 78.3 secs Computing kpt #: 277 total cpu time spent up to now is 78.5 secs Computing kpt #: 278 total cpu time spent up to now is 78.8 secs Computing kpt #: 279 total cpu time spent up to now is 79.1 secs Computing kpt #: 280 total cpu time spent up to now is 79.3 secs Computing kpt #: 281 total cpu time spent up to now is 79.6 secs Computing kpt #: 282 total cpu time spent up to now is 79.9 secs Computing kpt #: 283 total cpu time spent up to now is 80.1 secs Computing kpt #: 284 total cpu time spent up to now is 80.4 secs Computing kpt #: 285 total cpu time spent up to now is 80.6 secs Computing kpt #: 286 total cpu time spent up to now is 80.9 secs Computing kpt #: 287 total cpu time spent up to now is 81.2 secs Computing kpt #: 288 total cpu time spent up to now is 81.4 secs Computing kpt #: 289 total cpu time spent up to now is 81.7 secs Computing kpt #: 290 total cpu time spent up to now is 82.0 secs Computing kpt #: 291 total cpu time spent up to now is 82.2 secs Computing kpt #: 292 total cpu time spent up to now is 82.5 secs Computing kpt #: 293 total cpu time spent up to now is 82.8 secs Computing kpt #: 294 total cpu time spent up to now is 83.1 secs Computing kpt #: 295 total cpu time spent up to now is 83.3 secs Computing kpt #: 296 total cpu time spent up to now is 83.6 secs Computing kpt #: 297 total cpu time spent up to now is 83.9 secs Computing kpt #: 298 total cpu time spent up to now is 84.1 secs Computing kpt #: 299 total cpu time spent up to now is 84.4 secs Computing kpt #: 300 total cpu time spent up to now is 84.7 secs Computing kpt #: 301 total cpu time spent up to now is 85.0 secs Computing kpt #: 302 total cpu time spent up to now is 85.3 secs Computing kpt #: 303 total cpu time spent up to now is 85.5 secs Computing kpt #: 304 total cpu time spent up to now is 85.8 secs Computing kpt #: 305 total cpu time spent up to now is 86.1 secs Computing kpt #: 306 total cpu time spent up to now is 86.4 secs Computing kpt #: 307 total cpu time spent up to now is 86.7 secs Computing kpt #: 308 total cpu time spent up to now is 86.9 secs Computing kpt #: 309 total cpu time spent up to now is 87.2 secs Computing kpt #: 310 total cpu time spent up to now is 87.5 secs Computing kpt #: 311 total cpu time spent up to now is 87.8 secs Computing kpt #: 312 total cpu time spent up to now is 88.0 secs Computing kpt #: 313 total cpu time spent up to now is 88.3 secs Computing kpt #: 314 total cpu time spent up to now is 88.6 secs Computing kpt #: 315 total cpu time spent up to now is 88.8 secs Computing kpt #: 316 total cpu time spent up to now is 89.1 secs Computing kpt #: 317 total cpu time spent up to now is 89.4 secs Computing kpt #: 318 total cpu time spent up to now is 89.6 secs Computing kpt #: 319 total cpu time spent up to now is 89.9 secs Computing kpt #: 320 total cpu time spent up to now is 90.2 secs Computing kpt #: 321 total cpu time spent up to now is 90.5 secs Computing kpt #: 322 total cpu time spent up to now is 90.7 secs Computing kpt #: 323 total cpu time spent up to now is 91.0 secs Computing kpt #: 324 total cpu time spent up to now is 91.3 secs Computing kpt #: 325 total cpu time spent up to now is 91.5 secs Computing kpt #: 326 total cpu time spent up to now is 91.8 secs Computing kpt #: 327 total cpu time spent up to now is 92.1 secs Computing kpt #: 328 total cpu time spent up to now is 92.3 secs Computing kpt #: 329 total cpu time spent up to now is 92.6 secs Computing kpt #: 330 total cpu time spent up to now is 92.9 secs Computing kpt #: 331 total cpu time spent up to now is 93.2 secs Computing kpt #: 332 total cpu time spent up to now is 93.4 secs Computing kpt #: 333 total cpu time spent up to now is 93.7 secs Computing kpt #: 334 total cpu time spent up to now is 94.0 secs Computing kpt #: 335 total cpu time spent up to now is 94.2 secs Computing kpt #: 336 total cpu time spent up to now is 94.5 secs Computing kpt #: 337 total cpu time spent up to now is 94.8 secs Computing kpt #: 338 total cpu time spent up to now is 95.0 secs Computing kpt #: 339 total cpu time spent up to now is 95.3 secs Computing kpt #: 340 total cpu time spent up to now is 95.5 secs Computing kpt #: 341 total cpu time spent up to now is 95.8 secs Computing kpt #: 342 total cpu time spent up to now is 96.1 secs Computing kpt #: 343 total cpu time spent up to now is 96.3 secs Computing kpt #: 344 total cpu time spent up to now is 96.6 secs Computing kpt #: 345 total cpu time spent up to now is 96.8 secs Computing kpt #: 346 total cpu time spent up to now is 97.1 secs Computing kpt #: 347 total cpu time spent up to now is 97.4 secs Computing kpt #: 348 total cpu time spent up to now is 97.6 secs Computing kpt #: 349 total cpu time spent up to now is 97.9 secs Computing kpt #: 350 total cpu time spent up to now is 98.2 secs Computing kpt #: 351 total cpu time spent up to now is 98.5 secs Computing kpt #: 352 total cpu time spent up to now is 98.8 secs Computing kpt #: 353 total cpu time spent up to now is 99.1 secs Computing kpt #: 354 total cpu time spent up to now is 99.4 secs Computing kpt #: 355 total cpu time spent up to now is 99.8 secs Computing kpt #: 356 total cpu time spent up to now is 100.1 secs Computing kpt #: 357 total cpu time spent up to now is 100.5 secs Computing kpt #: 358 total cpu time spent up to now is 100.8 secs Computing kpt #: 359 total cpu time spent up to now is 101.1 secs Computing kpt #: 360 total cpu time spent up to now is 101.3 secs Computing kpt #: 361 total cpu time spent up to now is 101.6 secs Computing kpt #: 362 total cpu time spent up to now is 101.9 secs Computing kpt #: 363 total cpu time spent up to now is 102.2 secs Computing kpt #: 364 total cpu time spent up to now is 102.4 secs Computing kpt #: 365 total cpu time spent up to now is 102.7 secs Computing kpt #: 366 total cpu time spent up to now is 103.0 secs Computing kpt #: 367 total cpu time spent up to now is 103.2 secs Computing kpt #: 368 total cpu time spent up to now is 103.5 secs Computing kpt #: 369 total cpu time spent up to now is 103.8 secs Computing kpt #: 370 total cpu time spent up to now is 104.0 secs Computing kpt #: 371 total cpu time spent up to now is 104.3 secs Computing kpt #: 372 total cpu time spent up to now is 104.6 secs Computing kpt #: 373 total cpu time spent up to now is 104.9 secs Computing kpt #: 374 total cpu time spent up to now is 105.1 secs Computing kpt #: 375 total cpu time spent up to now is 105.4 secs Computing kpt #: 376 total cpu time spent up to now is 105.7 secs Computing kpt #: 377 total cpu time spent up to now is 105.9 secs Computing kpt #: 378 total cpu time spent up to now is 106.2 secs Computing kpt #: 379 total cpu time spent up to now is 106.4 secs Computing kpt #: 380 total cpu time spent up to now is 106.7 secs Computing kpt #: 381 total cpu time spent up to now is 106.9 secs Computing kpt #: 382 total cpu time spent up to now is 107.2 secs Computing kpt #: 383 total cpu time spent up to now is 107.4 secs Computing kpt #: 384 total cpu time spent up to now is 107.7 secs Computing kpt #: 385 total cpu time spent up to now is 107.9 secs Computing kpt #: 386 total cpu time spent up to now is 108.2 secs Computing kpt #: 387 total cpu time spent up to now is 108.5 secs Computing kpt #: 388 total cpu time spent up to now is 108.7 secs Computing kpt #: 389 total cpu time spent up to now is 109.0 secs Computing kpt #: 390 total cpu time spent up to now is 109.2 secs Computing kpt #: 391 total cpu time spent up to now is 109.5 secs Computing kpt #: 392 total cpu time spent up to now is 109.8 secs Computing kpt #: 393 total cpu time spent up to now is 110.0 secs Computing kpt #: 394 total cpu time spent up to now is 110.3 secs Computing kpt #: 395 total cpu time spent up to now is 110.6 secs Computing kpt #: 396 total cpu time spent up to now is 110.8 secs Computing kpt #: 397 total cpu time spent up to now is 111.1 secs Computing kpt #: 398 total cpu time spent up to now is 111.4 secs Computing kpt #: 399 total cpu time spent up to now is 111.6 secs Computing kpt #: 400 total cpu time spent up to now is 111.9 secs Computing kpt #: 401 total cpu time spent up to now is 112.2 secs Computing kpt #: 402 total cpu time spent up to now is 112.4 secs Computing kpt #: 403 total cpu time spent up to now is 112.7 secs Computing kpt #: 404 total cpu time spent up to now is 113.0 secs Computing kpt #: 405 total cpu time spent up to now is 113.2 secs Computing kpt #: 406 total cpu time spent up to now is 113.5 secs Computing kpt #: 407 total cpu time spent up to now is 113.7 secs Computing kpt #: 408 total cpu time spent up to now is 114.0 secs Computing kpt #: 409 total cpu time spent up to now is 114.3 secs Computing kpt #: 410 total cpu time spent up to now is 114.5 secs Computing kpt #: 411 total cpu time spent up to now is 114.8 secs Computing kpt #: 412 total cpu time spent up to now is 115.0 secs Computing kpt #: 413 total cpu time spent up to now is 115.3 secs Computing kpt #: 414 total cpu time spent up to now is 115.6 secs Computing kpt #: 415 total cpu time spent up to now is 115.8 secs Computing kpt #: 416 total cpu time spent up to now is 116.1 secs Computing kpt #: 417 total cpu time spent up to now is 116.4 secs Computing kpt #: 418 total cpu time spent up to now is 116.6 secs Computing kpt #: 419 total cpu time spent up to now is 116.9 secs Computing kpt #: 420 total cpu time spent up to now is 117.1 secs Computing kpt #: 421 total cpu time spent up to now is 117.4 secs Computing kpt #: 422 total cpu time spent up to now is 117.6 secs Computing kpt #: 423 total cpu time spent up to now is 117.9 secs Computing kpt #: 424 total cpu time spent up to now is 118.2 secs Computing kpt #: 425 total cpu time spent up to now is 118.4 secs Computing kpt #: 426 total cpu time spent up to now is 118.7 secs Computing kpt #: 427 total cpu time spent up to now is 119.0 secs Computing kpt #: 428 total cpu time spent up to now is 119.2 secs Computing kpt #: 429 total cpu time spent up to now is 119.5 secs Computing kpt #: 430 total cpu time spent up to now is 119.8 secs Computing kpt #: 431 total cpu time spent up to now is 120.0 secs Computing kpt #: 432 total cpu time spent up to now is 120.3 secs Computing kpt #: 433 total cpu time spent up to now is 120.5 secs Computing kpt #: 434 total cpu time spent up to now is 120.8 secs Computing kpt #: 435 total cpu time spent up to now is 121.1 secs Computing kpt #: 436 total cpu time spent up to now is 121.3 secs ethr = 2.78E-08, avg # of iterations = 11.8 total cpu time spent up to now is 121.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5953 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6192 -20.6192 -20.5950 -20.5950 -20.5880 -20.5880 -15.7144 -15.7144 -15.5795 -15.5795 -3.7992 -3.7992 -3.1298 -3.1298 -2.4746 -2.4746 -1.9256 -1.9256 -1.4207 -1.4207 -1.3632 -1.3632 -1.0977 -1.0977 -0.3887 -0.3887 5.4477 5.4477 7.1119 7.1119 7.9326 7.9326 8.2363 8.2363 k = 0.0114-0.0000-0.0000 ( 5953 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6192 -20.6192 -20.5950 -20.5950 -20.5881 -20.5881 -15.7142 -15.7142 -15.5794 -15.5794 -3.7989 -3.7989 -3.1298 -3.1298 -2.4742 -2.4742 -1.9264 -1.9264 -1.4219 -1.4219 -1.3634 -1.3634 -1.0973 -1.0973 -0.3885 -0.3885 5.4486 5.4486 7.1097 7.1097 7.9301 7.9301 8.2356 8.2356 k = 0.0227-0.0000-0.0000 ( 5957 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7858 -20.7858 -20.6324 -20.6324 -20.6192 -20.6192 -20.5950 -20.5950 -20.5882 -20.5882 -15.7138 -15.7138 -15.5792 -15.5792 -3.7979 -3.7979 -3.1300 -3.1300 -2.4727 -2.4727 -1.9285 -1.9285 -1.4258 -1.4258 -1.3639 -1.3639 -1.0961 -1.0961 -0.3879 -0.3879 5.4512 5.4512 7.1031 7.1031 7.9224 7.9224 8.2335 8.2335 k = 0.0341-0.0000-0.0000 ( 5961 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7858 -20.7858 -20.6324 -20.6324 -20.6192 -20.6192 -20.5952 -20.5952 -20.5884 -20.5884 -15.7131 -15.7131 -15.5789 -15.5789 -3.7961 -3.7961 -3.1302 -3.1302 -2.4703 -2.4703 -1.9320 -1.9320 -1.4323 -1.4323 -1.3648 -1.3648 -1.0941 -1.0941 -0.3869 -0.3869 5.4555 5.4555 7.0922 7.0922 7.9096 7.9096 8.2299 8.2299 k = 0.0455-0.0000-0.0000 ( 5967 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7859 -20.7859 -20.6323 -20.6323 -20.6193 -20.6193 -20.5954 -20.5954 -20.5886 -20.5886 -15.7121 -15.7121 -15.5785 -15.5785 -3.7937 -3.7937 -3.1305 -3.1305 -2.4670 -2.4670 -1.9370 -1.9370 -1.4413 -1.4413 -1.3661 -1.3661 -1.0913 -1.0913 -0.3856 -0.3856 5.4615 5.4615 7.0772 7.0772 7.8920 7.8920 8.2249 8.2249 k = 0.0568-0.0000-0.0000 ( 5971 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7860 -20.7860 -20.6323 -20.6323 -20.6193 -20.6193 -20.5956 -20.5956 -20.5889 -20.5889 -15.7108 -15.7108 -15.5780 -15.5780 -3.7906 -3.7906 -3.1309 -3.1309 -2.4628 -2.4628 -1.9433 -1.9433 -1.4527 -1.4527 -1.3677 -1.3677 -1.0877 -1.0877 -0.3839 -0.3839 5.4692 5.4692 7.0583 7.0583 7.8696 7.8696 8.2186 8.2186 k = 0.0682-0.0000-0.0000 ( 5960 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7861 -20.7861 -20.6321 -20.6321 -20.6192 -20.6192 -20.5959 -20.5959 -20.5892 -20.5892 -15.7092 -15.7092 -15.5774 -15.5774 -3.7868 -3.7868 -3.1314 -3.1314 -2.4576 -2.4576 -1.9509 -1.9509 -1.4665 -1.4665 -1.3696 -1.3696 -1.0833 -1.0833 -0.3819 -0.3819 5.4786 5.4786 7.0357 7.0357 7.8428 7.8428 8.2107 8.2107 k = 0.0795-0.0000-0.0000 ( 5960 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7862 -20.7862 -20.6321 -20.6321 -20.6192 -20.6192 -20.5962 -20.5962 -20.5895 -20.5895 -15.7074 -15.7074 -15.5766 -15.5766 -3.7823 -3.7823 -3.1320 -3.1320 -2.4515 -2.4515 -1.9599 -1.9599 -1.4825 -1.4825 -1.3719 -1.3719 -1.0781 -1.0781 -0.3797 -0.3797 5.4897 5.4897 7.0097 7.0097 7.8117 7.8117 8.2014 8.2014 k = 0.0909-0.0000-0.0000 ( 5966 PWs) bands (ev): -48.7457 -48.7457 -48.7451 -48.7451 -20.7970 -20.7970 -20.7863 -20.7863 -20.6320 -20.6320 -20.6192 -20.6192 -20.5967 -20.5967 -20.5900 -20.5900 -15.7053 -15.7053 -15.5758 -15.5758 -3.7772 -3.7772 -3.1327 -3.1327 -2.4445 -2.4445 -1.9700 -1.9700 -1.5007 -1.5007 -1.3746 -1.3746 -1.0720 -1.0720 -0.3773 -0.3773 5.5025 5.5025 6.9807 6.9807 7.7767 7.7767 8.1907 8.1907 k = 0.1023-0.0000-0.0000 ( 5968 PWs) bands (ev): -48.7457 -48.7457 -48.7451 -48.7451 -20.7970 -20.7970 -20.7865 -20.7865 -20.6318 -20.6318 -20.6192 -20.6192 -20.5971 -20.5971 -20.5905 -20.5905 -15.7030 -15.7030 -15.5749 -15.5749 -3.7714 -3.7714 -3.1336 -3.1336 -2.4365 -2.4365 -1.9814 -1.9814 -1.5208 -1.5208 -1.3777 -1.3777 -1.0652 -1.0652 -0.3747 -0.3747 5.5170 5.5170 6.9490 6.9490 7.7380 7.7380 8.1785 8.1785 k = 0.1136-0.0000-0.0000 ( 5972 PWs) bands (ev): -48.7457 -48.7457 -48.7451 -48.7451 -20.7970 -20.7970 -20.7866 -20.7866 -20.6317 -20.6317 -20.6193 -20.6193 -20.5975 -20.5975 -20.5910 -20.5910 -15.7004 -15.7004 -15.5739 -15.5739 -3.7650 -3.7650 -3.1346 -3.1346 -2.4277 -2.4277 -1.9938 -1.9938 -1.5429 -1.5429 -1.3812 -1.3812 -1.0575 -1.0575 -0.3720 -0.3720 5.5331 5.5331 6.9148 6.9148 7.6960 7.6960 8.1648 8.1648 k = 0.1250-0.0000-0.0000 ( 5966 PWs) bands (ev): -48.7457 -48.7457 -48.7450 -48.7450 -20.7971 -20.7971 -20.7868 -20.7868 -20.6315 -20.6315 -20.6192 -20.6192 -20.5980 -20.5980 -20.5915 -20.5915 -15.6976 -15.6976 -15.5728 -15.5728 -3.7580 -3.7580 -3.1357 -3.1357 -2.4180 -2.4180 -2.0073 -2.0073 -1.5666 -1.5666 -1.3851 -1.3851 -1.0490 -1.0490 -0.3692 -0.3692 5.5509 5.5509 6.8786 6.8786 7.6510 7.6510 8.1496 8.1496 k = 0.1364-0.0000-0.0000 ( 5972 PWs) bands (ev): -48.7456 -48.7456 -48.7450 -48.7450 -20.7971 -20.7971 -20.7870 -20.7870 -20.6313 -20.6313 -20.6193 -20.6193 -20.5986 -20.5986 -20.5921 -20.5921 -15.6945 -15.6945 -15.5717 -15.5717 -3.7504 -3.7504 -3.1370 -3.1370 -2.4075 -2.4075 -2.0218 -2.0218 -1.5918 -1.5918 -1.3894 -1.3894 -1.0398 -1.0398 -0.3665 -0.3665 5.5703 5.5703 6.8406 6.8406 7.6033 7.6033 8.1329 8.1329 k = 0.1477-0.0000-0.0000 ( 5972 PWs) bands (ev): -48.7456 -48.7456 -48.7450 -48.7450 -20.7971 -20.7971 -20.7872 -20.7872 -20.6312 -20.6312 -20.6193 -20.6193 -20.5991 -20.5991 -20.5928 -20.5928 -15.6913 -15.6913 -15.5705 -15.5705 -3.7422 -3.7422 -3.1385 -3.1385 -2.3961 -2.3961 -2.0371 -2.0371 -1.6185 -1.6185 -1.3942 -1.3942 -1.0297 -1.0297 -0.3637 -0.3637 5.5913 5.5913 6.8013 6.8013 7.5532 7.5532 8.1146 8.1146 k = 0.1591-0.0000-0.0000 ( 5972 PWs) bands (ev): -48.7456 -48.7456 -48.7450 -48.7450 -20.7971 -20.7971 -20.7875 -20.7875 -20.6309 -20.6309 -20.6194 -20.6194 -20.5996 -20.5996 -20.5935 -20.5935 -15.6878 -15.6878 -15.5692 -15.5692 -3.7334 -3.7334 -3.1402 -3.1402 -2.3840 -2.3840 -2.0532 -2.0532 -1.6464 -1.6464 -1.3994 -1.3994 -1.0189 -1.0189 -0.3611 -0.3611 5.6139 5.6139 6.7608 6.7608 7.5011 7.5011 8.0948 8.0948 k = 0.1705-0.0000-0.0000 ( 5986 PWs) bands (ev): -48.7456 -48.7456 -48.7449 -48.7449 -20.7972 -20.7972 -20.7878 -20.7878 -20.6307 -20.6307 -20.6195 -20.6195 -20.6002 -20.6002 -20.5943 -20.5943 -15.6842 -15.6842 -15.5680 -15.5680 -3.7241 -3.7241 -3.1421 -3.1421 -2.3710 -2.3710 -2.0701 -2.0701 -1.6754 -1.6754 -1.4050 -1.4050 -1.0073 -1.0073 -0.3586 -0.3586 5.6381 5.6381 6.7196 6.7196 7.4472 7.4472 8.0735 8.0735 k = 0.1818-0.0000-0.0000 ( 5980 PWs) bands (ev): -48.7455 -48.7455 -48.7449 -48.7449 -20.7972 -20.7972 -20.7881 -20.7881 -20.6305 -20.6305 -20.6195 -20.6195 -20.6008 -20.6008 -20.5950 -20.5950 -15.6803 -15.6803 -15.5666 -15.5666 -3.7142 -3.7142 -3.1442 -3.1442 -2.3573 -2.3573 -2.0874 -2.0874 -1.7052 -1.7052 -1.4112 -1.4112 -0.9950 -0.9950 -0.3563 -0.3563 5.6638 5.6638 6.6779 6.6779 7.3919 7.3919 8.0506 8.0506 k = 0.1932-0.0000-0.0000 ( 5986 PWs) bands (ev): -48.7455 -48.7455 -48.7449 -48.7449 -20.7972 -20.7972 -20.7884 -20.7884 -20.6303 -20.6303 -20.6195 -20.6195 -20.6014 -20.6014 -20.5958 -20.5958 -15.6763 -15.6763 -15.5653 -15.5653 -3.7039 -3.7039 -3.1465 -3.1465 -2.3428 -2.3428 -2.1052 -2.1052 -1.7359 -1.7359 -1.4178 -1.4178 -0.9819 -0.9819 -0.3543 -0.3543 5.6911 5.6911 6.6360 6.6360 7.3354 7.3354 8.0261 8.0261 k = 0.2045-0.0000-0.0000 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7449 -48.7449 -20.7973 -20.7973 -20.7887 -20.7887 -20.6301 -20.6301 -20.6196 -20.6196 -20.6021 -20.6021 -20.5966 -20.5966 -15.6722 -15.6722 -15.5640 -15.5640 -3.6931 -3.6931 -3.1491 -3.1491 -2.3276 -2.3276 -2.1234 -2.1234 -1.7671 -1.7671 -1.4248 -1.4248 -0.9682 -0.9682 -0.3525 -0.3525 5.7199 5.7199 6.5942 6.5942 7.2780 7.2780 8.0001 8.0001 k = 0.2159-0.0000-0.0000 ( 5988 PWs) bands (ev): -48.7454 -48.7454 -48.7448 -48.7448 -20.7973 -20.7973 -20.7890 -20.7890 -20.6298 -20.6298 -20.6196 -20.6196 -20.6027 -20.6027 -20.5974 -20.5974 -15.6680 -15.6680 -15.5627 -15.5627 -3.6818 -3.6818 -3.1520 -3.1520 -2.3118 -2.3118 -2.1418 -2.1418 -1.7988 -1.7988 -1.4324 -1.4324 -0.9539 -0.9539 -0.3511 -0.3511 5.7502 5.7502 6.5527 6.5527 7.2200 7.2200 7.9724 7.9724 k = 0.2273-0.0000-0.0000 ( 5988 PWs) bands (ev): -48.7454 -48.7454 -48.7448 -48.7448 -20.7973 -20.7973 -20.7893 -20.7893 -20.6295 -20.6295 -20.6197 -20.6197 -20.6033 -20.6033 -20.5981 -20.5981 -15.6636 -15.6636 -15.5614 -15.5614 -3.6701 -3.6701 -3.1552 -3.1552 -2.2953 -2.2953 -2.1603 -2.1603 -1.8308 -1.8308 -1.4405 -1.4405 -0.9389 -0.9389 -0.3501 -0.3501 5.7819 5.7819 6.5118 6.5118 7.1617 7.1617 7.9432 7.9432 k = 0.2386-0.0000-0.0000 ( 5976 PWs) bands (ev): -48.7453 -48.7453 -48.7448 -48.7448 -20.7973 -20.7973 -20.7896 -20.7896 -20.6293 -20.6293 -20.6198 -20.6198 -20.6039 -20.6039 -20.5989 -20.5989 -15.6591 -15.6591 -15.5601 -15.5601 -3.6580 -3.6580 -3.1587 -3.1587 -2.2782 -2.2782 -2.1789 -2.1789 -1.8628 -1.8628 -1.4492 -1.4492 -0.9234 -0.9234 -0.3494 -0.3494 5.8150 5.8150 6.4717 6.4717 7.1032 7.1032 7.9124 7.9124 k = 0.2500-0.0000-0.0000 ( 5974 PWs) bands (ev): -48.7453 -48.7453 -48.7447 -48.7447 -20.7974 -20.7974 -20.7899 -20.7899 -20.6290 -20.6290 -20.6199 -20.6199 -20.6045 -20.6045 -20.5996 -20.5996 -15.6545 -15.6545 -15.5589 -15.5589 -3.6456 -3.6456 -3.1624 -3.1624 -2.2604 -2.2604 -2.1973 -2.1973 -1.8949 -1.8949 -1.4583 -1.4583 -0.9073 -0.9073 -0.3493 -0.3493 5.8495 5.8495 6.4327 6.4327 7.0449 7.0449 7.8800 7.8800 k = 0.2614-0.0000-0.0000 ( 5966 PWs) bands (ev): -48.7452 -48.7452 -48.7447 -48.7447 -20.7974 -20.7974 -20.7902 -20.7902 -20.6288 -20.6288 -20.6200 -20.6200 -20.6051 -20.6051 -20.6004 -20.6004 -15.6499 -15.6499 -15.5577 -15.5577 -3.6328 -3.6328 -3.1666 -3.1666 -2.2422 -2.2422 -2.2155 -2.2155 -1.9269 -1.9269 -1.4681 -1.4681 -0.8907 -0.8907 -0.3496 -0.3496 5.8854 5.8854 6.3949 6.3949 6.9869 6.9869 7.8461 7.8461 k = 0.2727-0.0000-0.0000 ( 5978 PWs) bands (ev): -48.7452 -48.7452 -48.7447 -48.7447 -20.7975 -20.7975 -20.7905 -20.7905 -20.6285 -20.6285 -20.6201 -20.6201 -20.6058 -20.6058 -20.6011 -20.6011 -15.6453 -15.6453 -15.5566 -15.5566 -3.6198 -3.6198 -3.1711 -3.1711 -2.2335 -2.2335 -2.2233 -2.2233 -1.9586 -1.9586 -1.4783 -1.4783 -0.8737 -0.8737 -0.3505 -0.3505 5.9225 5.9225 6.3586 6.3586 6.9294 6.9294 7.8107 7.8107 k = 0.2841-0.0000-0.0000 ( 5988 PWs) bands (ev): -48.7452 -48.7452 -48.7447 -48.7447 -20.7975 -20.7975 -20.7909 -20.7909 -20.6283 -20.6283 -20.6203 -20.6203 -20.6064 -20.6064 -20.6019 -20.6019 -15.6406 -15.6406 -15.5556 -15.5556 -3.6064 -3.6064 -3.1759 -3.1759 -2.2509 -2.2509 -2.2041 -2.2041 -1.9898 -1.9898 -1.4892 -1.4892 -0.8562 -0.8562 -0.3520 -0.3520 5.9610 5.9610 6.3238 6.3238 6.8726 6.8726 7.7738 7.7738 k = 0.2955-0.0000-0.0000 ( 5988 PWs) bands (ev): -48.7451 -48.7451 -48.7447 -48.7447 -20.7975 -20.7975 -20.7913 -20.7913 -20.6280 -20.6280 -20.6204 -20.6204 -20.6069 -20.6069 -20.6027 -20.6027 -15.6359 -15.6359 -15.5547 -15.5547 -3.5928 -3.5928 -3.1811 -3.1811 -2.2678 -2.2678 -2.1844 -2.1844 -2.0205 -2.0205 -1.5006 -1.5006 -0.8385 -0.8385 -0.3541 -0.3541 6.0007 6.0007 6.2909 6.2909 6.8168 6.8168 7.7354 7.7354 k = 0.3068-0.0000-0.0000 ( 5992 PWs) bands (ev): -48.7451 -48.7451 -48.7446 -48.7446 -20.7976 -20.7976 -20.7916 -20.7916 -20.6278 -20.6278 -20.6206 -20.6206 -20.6075 -20.6075 -20.6034 -20.6034 -15.6312 -15.6312 -15.5539 -15.5539 -3.5790 -3.5790 -3.1868 -3.1868 -2.2840 -2.2840 -2.1643 -2.1643 -2.0505 -2.0505 -1.5126 -1.5126 -0.8204 -0.8204 -0.3569 -0.3569 6.0416 6.0416 6.2599 6.2599 6.7620 6.7620 7.6956 7.6956 k = 0.3182-0.0000-0.0000 ( 5984 PWs) bands (ev): -48.7450 -48.7450 -48.7446 -48.7446 -20.7976 -20.7976 -20.7919 -20.7919 -20.6276 -20.6276 -20.6207 -20.6207 -20.6080 -20.6080 -20.6040 -20.6040 -15.6265 -15.6265 -15.5532 -15.5532 -3.5650 -3.5650 -3.1928 -3.1928 -2.2995 -2.2995 -2.1439 -2.1439 -2.0798 -2.0798 -1.5251 -1.5251 -0.8020 -0.8020 -0.3603 -0.3603 6.0836 6.0836 6.2310 6.2310 6.7085 6.7085 7.6545 7.6545 k = 0.3295-0.0000-0.0000 ( 5988 PWs) bands (ev): -48.7450 -48.7450 -48.7446 -48.7446 -20.7976 -20.7976 -20.7923 -20.7923 -20.6274 -20.6274 -20.6209 -20.6209 -20.6085 -20.6085 -20.6047 -20.6047 -15.6218 -15.6218 -15.5527 -15.5527 -3.5509 -3.5509 -3.1992 -3.1992 -2.3141 -2.3141 -2.1238 -2.1238 -2.1076 -2.1076 -1.5383 -1.5383 -0.7834 -0.7834 -0.3644 -0.3644 6.1267 6.1267 6.2044 6.2044 6.6564 6.6564 7.6120 7.6120 k = 0.3409-0.0000-0.0000 ( 5992 PWs) bands (ev): -48.7449 -48.7449 -48.7446 -48.7446 -20.7977 -20.7977 -20.7926 -20.7926 -20.6272 -20.6272 -20.6211 -20.6211 -20.6089 -20.6089 -20.6053 -20.6053 -15.6172 -15.6172 -15.5523 -15.5523 -3.5367 -3.5367 -3.2060 -3.2060 -2.3278 -2.3278 -2.1364 -2.1364 -2.1014 -2.1014 -1.5520 -1.5520 -0.7647 -0.7647 -0.3692 -0.3692 6.1698 6.1698 6.1811 6.1811 6.6058 6.6058 7.5682 7.5682 k = 0.3523-0.0000-0.0000 ( 5998 PWs) bands (ev): -48.7449 -48.7449 -48.7446 -48.7446 -20.7977 -20.7977 -20.7930 -20.7930 -20.6270 -20.6270 -20.6213 -20.6213 -20.6093 -20.6093 -20.6059 -20.6059 -15.6127 -15.6127 -15.5520 -15.5520 -3.5224 -3.5224 -3.2132 -3.2132 -2.3404 -2.3404 -2.1626 -2.1626 -2.0802 -2.0802 -1.5663 -1.5663 -0.7459 -0.7459 -0.3748 -0.3748 6.1577 6.1577 6.2165 6.2165 6.5570 6.5570 7.5233 7.5233 k = 0.3636-0.0000-0.0000 ( 6002 PWs) bands (ev): -48.7449 -48.7449 -48.7446 -48.7446 -20.7977 -20.7977 -20.7933 -20.7933 -20.6268 -20.6268 -20.6216 -20.6216 -20.6097 -20.6097 -20.6065 -20.6065 -15.6082 -15.6082 -15.5519 -15.5519 -3.5081 -3.5081 -3.2209 -3.2209 -2.3520 -2.3520 -2.1879 -2.1879 -2.0587 -2.0587 -1.5811 -1.5811 -0.7270 -0.7270 -0.3811 -0.3811 6.1384 6.1384 6.2626 6.2626 6.5099 6.5099 7.4773 7.4773 k = 0.3750-0.0000-0.0000 ( 6014 PWs) bands (ev): -48.7448 -48.7448 -48.7446 -48.7446 -20.7977 -20.7977 -20.7937 -20.7937 -20.6266 -20.6266 -20.6218 -20.6218 -20.6100 -20.6100 -20.6070 -20.6070 -15.6039 -15.6039 -15.5520 -15.5520 -3.4937 -3.4937 -3.2289 -3.2289 -2.3624 -2.3624 -2.2120 -2.2120 -2.0370 -2.0370 -1.5966 -1.5966 -0.7081 -0.7081 -0.3882 -0.3882 6.1217 6.1217 6.3097 6.3097 6.4648 6.4648 7.4302 7.4302 k = 0.3864-0.0000-0.0000 ( 6020 PWs) bands (ev): -48.7448 -48.7448 -48.7446 -48.7446 -20.7977 -20.7977 -20.7940 -20.7940 -20.6264 -20.6264 -20.6221 -20.6221 -20.6104 -20.6104 -20.6075 -20.6075 -15.5997 -15.5997 -15.5523 -15.5523 -3.4794 -3.4794 -3.2374 -3.2374 -2.3715 -2.3715 -2.2348 -2.2348 -2.0152 -2.0152 -1.6125 -1.6125 -0.6892 -0.6892 -0.3960 -0.3960 6.1076 6.1076 6.3576 6.3576 6.4218 6.4218 7.3821 7.3821 k = 0.3977-0.0000-0.0000 ( 6020 PWs) bands (ev): -48.7448 -48.7448 -48.7446 -48.7446 -20.7977 -20.7977 -20.7943 -20.7943 -20.6263 -20.6263 -20.6223 -20.6223 -20.6106 -20.6106 -20.6080 -20.6080 -15.5955 -15.5955 -15.5527 -15.5527 -3.4652 -3.4652 -3.2463 -3.2463 -2.3793 -2.3793 -2.2563 -2.2563 -1.9933 -1.9933 -1.6291 -1.6291 -0.6705 -0.6705 -0.4046 -0.4046 6.0964 6.0964 6.3809 6.3809 6.4063 6.4063 7.3332 7.3332 k = 0.4091-0.0000-0.0000 ( 6024 PWs) bands (ev): -48.7447 -48.7447 -48.7445 -48.7445 -20.7976 -20.7976 -20.7946 -20.7946 -20.6261 -20.6261 -20.6226 -20.6226 -20.6107 -20.6107 -20.6084 -20.6084 -15.5916 -15.5916 -15.5534 -15.5534 -3.4510 -3.4510 -3.2556 -3.2556 -2.3857 -2.3857 -2.2764 -2.2764 -1.9713 -1.9713 -1.6461 -1.6461 -0.6519 -0.6519 -0.4140 -0.4140 6.0879 6.0879 6.3423 6.3423 6.4557 6.4557 7.2835 7.2835 k = 0.4205-0.0000-0.0000 ( 6022 PWs) bands (ev): -48.7447 -48.7447 -48.7445 -48.7445 -20.7975 -20.7975 -20.7950 -20.7950 -20.6259 -20.6259 -20.6228 -20.6228 -20.6108 -20.6108 -20.6088 -20.6088 -15.5877 -15.5877 -15.5542 -15.5542 -3.4369 -3.4369 -3.2653 -3.2653 -2.3907 -2.3907 -2.2950 -2.2950 -1.9494 -1.9494 -1.6636 -1.6636 -0.6336 -0.6336 -0.4241 -0.4241 6.0823 6.0823 6.3060 6.3060 6.5058 6.5058 7.2331 7.2331 k = 0.4318-0.0000-0.0000 ( 6026 PWs) bands (ev): -48.7447 -48.7447 -48.7445 -48.7445 -20.7975 -20.7975 -20.7952 -20.7952 -20.6257 -20.6257 -20.6231 -20.6231 -20.6109 -20.6109 -20.6092 -20.6092 -15.5841 -15.5841 -15.5552 -15.5552 -3.4230 -3.4230 -3.2755 -3.2755 -2.3942 -2.3942 -2.3122 -2.3122 -1.9275 -1.9275 -1.6817 -1.6817 -0.6155 -0.6155 -0.4350 -0.4350 6.0796 6.0796 6.2722 6.2722 6.5565 6.5565 7.1821 7.1821 k = 0.4432-0.0000-0.0000 ( 6026 PWs) bands (ev): -48.7447 -48.7447 -48.7445 -48.7445 -20.7974 -20.7974 -20.7955 -20.7955 -20.6255 -20.6255 -20.6233 -20.6233 -20.6110 -20.6110 -20.6095 -20.6095 -15.5806 -15.5806 -15.5565 -15.5565 -3.4092 -3.4092 -3.2860 -3.2860 -2.3961 -2.3961 -2.3278 -2.3278 -1.9056 -1.9056 -1.7002 -1.7002 -0.5977 -0.5977 -0.4466 -0.4466 6.0798 6.0798 6.2409 6.2409 6.6077 6.6077 7.1306 7.1306 k = 0.4545-0.0000-0.0000 ( 6022 PWs) bands (ev): -48.7446 -48.7446 -48.7445 -48.7445 -20.7973 -20.7973 -20.7958 -20.7958 -20.6253 -20.6253 -20.6236 -20.6236 -20.6110 -20.6110 -20.6098 -20.6098 -15.5773 -15.5773 -15.5580 -15.5580 -3.3957 -3.3957 -3.2968 -3.2968 -2.3966 -2.3966 -2.3419 -2.3419 -1.8839 -1.8839 -1.7192 -1.7192 -0.5802 -0.5802 -0.4590 -0.4590 6.0829 6.0829 6.2123 6.2123 6.6593 6.6593 7.0787 7.0787 k = 0.4659-0.0000-0.0000 ( 6014 PWs) bands (ev): -48.7446 -48.7446 -48.7445 -48.7445 -20.7971 -20.7971 -20.7960 -20.7960 -20.6251 -20.6251 -20.6238 -20.6238 -20.6109 -20.6109 -20.6101 -20.6101 -15.5741 -15.5741 -15.5596 -15.5596 -3.3823 -3.3823 -3.3081 -3.3081 -2.3954 -2.3954 -2.3544 -2.3544 -1.8624 -1.8624 -1.7386 -1.7386 -0.5632 -0.5632 -0.4720 -0.4720 6.0890 6.0890 6.1863 6.1863 6.7113 6.7113 7.0265 7.0265 k = 0.4773-0.0000-0.0000 ( 6002 PWs) bands (ev): -48.7446 -48.7446 -48.7445 -48.7445 -20.7969 -20.7969 -20.7962 -20.7962 -20.6249 -20.6249 -20.6240 -20.6240 -20.6109 -20.6109 -20.6103 -20.6103 -15.5712 -15.5712 -15.5615 -15.5615 -3.3692 -3.3692 -3.3197 -3.3197 -2.3926 -2.3926 -2.3653 -2.3653 -1.8410 -1.8410 -1.7584 -1.7584 -0.5466 -0.5466 -0.4857 -0.4857 6.0981 6.0981 6.1630 6.1630 6.7636 6.7636 6.9740 6.9740 k = 0.4886-0.0000-0.0000 ( 6014 PWs) bands (ev): -48.7446 -48.7446 -48.7445 -48.7445 -20.7968 -20.7968 -20.7964 -20.7964 -20.6247 -20.6247 -20.6243 -20.6243 -20.6108 -20.6108 -20.6105 -20.6105 -15.5685 -15.5685 -15.5636 -15.5636 -3.3564 -3.3564 -3.3316 -3.3316 -2.3883 -2.3883 -2.3746 -2.3746 -1.8199 -1.8199 -1.7786 -1.7786 -0.5306 -0.5306 -0.5001 -0.5001 6.1100 6.1100 6.1425 6.1425 6.8161 6.8161 6.9214 6.9214 k = 0.5000-0.0000-0.0000 ( 6002 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6106 -20.6106 -20.6106 -20.6106 -15.5659 -15.5659 -15.5659 -15.5659 -3.3438 -3.3438 -3.3438 -3.3438 -2.3822 -2.3822 -2.3822 -2.3822 -1.7991 -1.7991 -1.7991 -1.7991 -0.5150 -0.5150 -0.5150 -0.5150 6.1248 6.1248 6.1248 6.1248 6.8688 6.8688 6.8688 6.8688 k = 0.5000-0.0000-0.0000 ( 6002 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6106 -20.6106 -20.6106 -20.6106 -15.5659 -15.5659 -15.5659 -15.5659 -3.3438 -3.3438 -3.3438 -3.3438 -2.3822 -2.3822 -2.3822 -2.3822 -1.7991 -1.7991 -1.7991 -1.7991 -0.5150 -0.5150 -0.5150 -0.5150 6.1248 6.1248 6.1248 6.1248 6.8688 6.8688 6.8688 6.8688 k = 0.5000 0.0113-0.0000 ( 6016 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6107 -20.6107 -20.6107 -20.6107 -15.5659 -15.5659 -15.5659 -15.5659 -3.3449 -3.3449 -3.3449 -3.3449 -2.3812 -2.3812 -2.3812 -2.3812 -1.7990 -1.7990 -1.7990 -1.7990 -0.5144 -0.5144 -0.5144 -0.5144 6.1225 6.1225 6.1225 6.1225 6.8666 6.8666 6.8666 6.8666 k = 0.5000 0.0227-0.0000 ( 6016 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6107 -20.6107 -20.6107 -20.6107 -15.5660 -15.5660 -15.5660 -15.5660 -3.3481 -3.3481 -3.3481 -3.3481 -2.3782 -2.3782 -2.3782 -2.3782 -1.7987 -1.7987 -1.7987 -1.7987 -0.5124 -0.5124 -0.5124 -0.5124 6.1158 6.1158 6.1158 6.1158 6.8603 6.8603 6.8603 6.8603 k = 0.5000 0.0340-0.0000 ( 6024 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6107 -20.6107 -20.6107 -20.6107 -15.5660 -15.5660 -15.5660 -15.5660 -3.3533 -3.3533 -3.3533 -3.3533 -2.3732 -2.3732 -2.3732 -2.3732 -1.7981 -1.7981 -1.7981 -1.7981 -0.5091 -0.5091 -0.5091 -0.5091 6.1047 6.1047 6.1047 6.1047 6.8499 6.8499 6.8499 6.8499 k = 0.5000 0.0454-0.0000 ( 6016 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6106 -20.6106 -20.6106 -20.6106 -15.5660 -15.5660 -15.5660 -15.5660 -3.3604 -3.3604 -3.3604 -3.3604 -2.3663 -2.3663 -2.3663 -2.3663 -1.7973 -1.7973 -1.7973 -1.7973 -0.5046 -0.5046 -0.5046 -0.5046 6.0895 6.0895 6.0895 6.0895 6.8355 6.8355 6.8355 6.8355 k = 0.5000 0.0567-0.0000 ( 6020 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6246 -20.6246 -20.6246 -20.6246 -20.6106 -20.6106 -20.6106 -20.6106 -15.5660 -15.5660 -15.5660 -15.5660 -3.3692 -3.3692 -3.3692 -3.3692 -2.3577 -2.3577 -2.3577 -2.3577 -1.7964 -1.7964 -1.7964 -1.7964 -0.4989 -0.4989 -0.4989 -0.4989 6.0704 6.0704 6.0704 6.0704 6.8176 6.8176 6.8176 6.8176 k = 0.5000 0.0680-0.0000 ( 6026 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6246 -20.6246 -20.6246 -20.6246 -20.6106 -20.6106 -20.6106 -20.6106 -15.5660 -15.5660 -15.5660 -15.5660 -3.3797 -3.3797 -3.3797 -3.3797 -2.3476 -2.3476 -2.3476 -2.3476 -1.7952 -1.7952 -1.7952 -1.7952 -0.4919 -0.4919 -0.4919 -0.4919 6.0478 6.0478 6.0478 6.0478 6.7963 6.7963 6.7963 6.7963 k = 0.5000 0.0794-0.0000 ( 6034 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6246 -20.6246 -20.6246 -20.6246 -20.6106 -20.6106 -20.6106 -20.6106 -15.5660 -15.5660 -15.5660 -15.5660 -3.3916 -3.3916 -3.3916 -3.3916 -2.3361 -2.3361 -2.3361 -2.3361 -1.7938 -1.7938 -1.7938 -1.7938 -0.4839 -0.4839 -0.4839 -0.4839 6.0220 6.0220 6.0220 6.0220 6.7719 6.7719 6.7719 6.7719 k = 0.5000 0.0907-0.0000 ( 6042 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6247 -20.6247 -20.6247 -20.6247 -20.6106 -20.6106 -20.6106 -20.6106 -15.5661 -15.5661 -15.5661 -15.5661 -3.4048 -3.4048 -3.4048 -3.4048 -2.3234 -2.3234 -2.3234 -2.3234 -1.7923 -1.7923 -1.7923 -1.7923 -0.4749 -0.4749 -0.4749 -0.4749 5.9934 5.9934 5.9934 5.9934 6.7450 6.7450 6.7450 6.7450 k = 0.5000 0.1021-0.0000 ( 6046 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6247 -20.6247 -20.6247 -20.6247 -20.6106 -20.6106 -20.6106 -20.6106 -15.5661 -15.5661 -15.5661 -15.5661 -3.4189 -3.4189 -3.4189 -3.4189 -2.3097 -2.3097 -2.3097 -2.3097 -1.7906 -1.7906 -1.7906 -1.7906 -0.4649 -0.4649 -0.4649 -0.4649 5.9625 5.9625 5.9625 5.9625 6.7158 6.7158 6.7158 6.7158 k = 0.5000 0.1134-0.0000 ( 6034 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6247 -20.6247 -20.6247 -20.6247 -20.6105 -20.6105 -20.6105 -20.6105 -15.5661 -15.5661 -15.5661 -15.5661 -3.4338 -3.4338 -3.4338 -3.4338 -2.2952 -2.2952 -2.2952 -2.2952 -1.7887 -1.7887 -1.7887 -1.7887 -0.4540 -0.4540 -0.4540 -0.4540 5.9296 5.9296 5.9296 5.9296 6.6847 6.6847 6.6847 6.6847 k = 0.5000 0.1247-0.0000 ( 6026 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6247 -20.6247 -20.6247 -20.6247 -20.6104 -20.6104 -20.6104 -20.6104 -15.5661 -15.5661 -15.5661 -15.5661 -3.4494 -3.4494 -3.4494 -3.4494 -2.2801 -2.2801 -2.2801 -2.2801 -1.7867 -1.7867 -1.7867 -1.7867 -0.4424 -0.4424 -0.4424 -0.4424 5.8952 5.8952 5.8952 5.8952 6.6523 6.6523 6.6523 6.6523 k = 0.5000 0.1361-0.0000 ( 6030 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6248 -20.6248 -20.6248 -20.6248 -20.6104 -20.6104 -20.6104 -20.6104 -15.5662 -15.5662 -15.5662 -15.5662 -3.4654 -3.4654 -3.4654 -3.4654 -2.2645 -2.2645 -2.2645 -2.2645 -1.7846 -1.7846 -1.7846 -1.7846 -0.4302 -0.4302 -0.4302 -0.4302 5.8597 5.8597 5.8597 5.8597 6.6187 6.6187 6.6187 6.6187 k = 0.5000 0.1474-0.0000 ( 6032 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6248 -20.6248 -20.6248 -20.6248 -20.6103 -20.6103 -20.6103 -20.6103 -15.5662 -15.5662 -15.5662 -15.5662 -3.4817 -3.4817 -3.4817 -3.4817 -2.2487 -2.2487 -2.2487 -2.2487 -1.7824 -1.7824 -1.7824 -1.7824 -0.4175 -0.4175 -0.4175 -0.4175 5.8235 5.8235 5.8235 5.8235 6.5844 6.5844 6.5844 6.5844 k = 0.5000 0.1588-0.0000 ( 6028 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6248 -20.6248 -20.6248 -20.6248 -20.6103 -20.6103 -20.6103 -20.6103 -15.5662 -15.5662 -15.5662 -15.5662 -3.4981 -3.4981 -3.4981 -3.4981 -2.2327 -2.2327 -2.2327 -2.2327 -1.7801 -1.7801 -1.7801 -1.7801 -0.4043 -0.4043 -0.4043 -0.4043 5.7869 5.7869 5.7869 5.7869 6.5498 6.5498 6.5498 6.5498 k = 0.5000 0.1701-0.0000 ( 6012 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6248 -20.6248 -20.6248 -20.6248 -20.6102 -20.6102 -20.6102 -20.6102 -15.5662 -15.5662 -15.5662 -15.5662 -3.5144 -3.5144 -3.5144 -3.5144 -2.2167 -2.2167 -2.2167 -2.2167 -1.7778 -1.7778 -1.7778 -1.7778 -0.3908 -0.3908 -0.3908 -0.3908 5.7503 5.7503 5.7503 5.7503 6.5151 6.5151 6.5151 6.5151 k = 0.5000 0.1814-0.0000 ( 6006 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7966 -20.7966 -20.7966 -20.7966 -20.6249 -20.6249 -20.6249 -20.6249 -20.6101 -20.6101 -20.6101 -20.6101 -15.5663 -15.5663 -15.5663 -15.5663 -3.5306 -3.5306 -3.5306 -3.5306 -2.2009 -2.2009 -2.2009 -2.2009 -1.7754 -1.7754 -1.7754 -1.7754 -0.3772 -0.3772 -0.3772 -0.3772 5.7141 5.7141 5.7141 5.7141 6.4808 6.4808 6.4808 6.4808 k = 0.5000 0.1928-0.0000 ( 6006 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7966 -20.7966 -20.7966 -20.7966 -20.6249 -20.6249 -20.6249 -20.6249 -20.6101 -20.6101 -20.6101 -20.6101 -15.5663 -15.5663 -15.5663 -15.5663 -3.5464 -3.5464 -3.5464 -3.5464 -2.1854 -2.1854 -2.1854 -2.1854 -1.7730 -1.7730 -1.7730 -1.7730 -0.3636 -0.3636 -0.3636 -0.3636 5.6785 5.6785 5.6785 5.6785 6.4470 6.4470 6.4470 6.4470 k = 0.5000 0.2041-0.0000 ( 6018 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6250 -20.6250 -20.6250 -20.6250 -20.6101 -20.6101 -20.6101 -20.6101 -15.5663 -15.5663 -15.5663 -15.5663 -3.5618 -3.5618 -3.5618 -3.5618 -2.1703 -2.1703 -2.1703 -2.1703 -1.7706 -1.7706 -1.7706 -1.7706 -0.3500 -0.3500 -0.3500 -0.3500 5.6438 5.6438 5.6438 5.6438 6.4140 6.4140 6.4140 6.4140 k = 0.5000 0.2155-0.0000 ( 6014 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6250 -20.6250 -20.6250 -20.6250 -20.6100 -20.6100 -20.6100 -20.6100 -15.5664 -15.5664 -15.5664 -15.5664 -3.5766 -3.5766 -3.5766 -3.5766 -2.1557 -2.1557 -2.1557 -2.1557 -1.7682 -1.7682 -1.7682 -1.7682 -0.3367 -0.3367 -0.3367 -0.3367 5.6103 5.6103 5.6103 5.6103 6.3821 6.3821 6.3821 6.3821 k = 0.5000 0.2268-0.0000 ( 6014 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6250 -20.6250 -20.6250 -20.6250 -20.6100 -20.6100 -20.6100 -20.6100 -15.5664 -15.5664 -15.5664 -15.5664 -3.5908 -3.5908 -3.5908 -3.5908 -2.1416 -2.1416 -2.1416 -2.1416 -1.7659 -1.7659 -1.7659 -1.7659 -0.3237 -0.3237 -0.3237 -0.3237 5.5782 5.5782 5.5782 5.5782 6.3515 6.3515 6.3515 6.3515 k = 0.5000 0.2381-0.0000 ( 6018 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6251 -20.6251 -20.6251 -20.6251 -20.6099 -20.6099 -20.6099 -20.6099 -15.5664 -15.5664 -15.5664 -15.5664 -3.6043 -3.6043 -3.6043 -3.6043 -2.1283 -2.1283 -2.1283 -2.1283 -1.7637 -1.7637 -1.7637 -1.7637 -0.3111 -0.3111 -0.3111 -0.3111 5.5477 5.5477 5.5477 5.5477 6.3225 6.3225 6.3225 6.3225 k = 0.5000 0.2495-0.0000 ( 6010 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7966 -20.7966 -20.7966 -20.7966 -20.6251 -20.6251 -20.6251 -20.6251 -20.6099 -20.6099 -20.6099 -20.6099 -15.5665 -15.5665 -15.5665 -15.5665 -3.6169 -3.6169 -3.6169 -3.6169 -2.1157 -2.1157 -2.1157 -2.1157 -1.7615 -1.7615 -1.7615 -1.7615 -0.2991 -0.2991 -0.2991 -0.2991 5.5191 5.5191 5.5191 5.5191 6.2951 6.2951 6.2951 6.2951 k = 0.5000 0.2608-0.0000 ( 6018 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6251 -20.6251 -20.6251 -20.6251 -20.6098 -20.6098 -20.6098 -20.6098 -15.5665 -15.5665 -15.5665 -15.5665 -3.6287 -3.6287 -3.6287 -3.6287 -2.1039 -2.1039 -2.1039 -2.1039 -1.7595 -1.7595 -1.7595 -1.7595 -0.2878 -0.2878 -0.2878 -0.2878 5.4923 5.4923 5.4923 5.4923 6.2696 6.2696 6.2696 6.2696 k = 0.5000 0.2722-0.0000 ( 6018 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6252 -20.6252 -20.6252 -20.6252 -20.6098 -20.6098 -20.6098 -20.6098 -15.5665 -15.5665 -15.5665 -15.5665 -3.6395 -3.6395 -3.6395 -3.6395 -2.0931 -2.0931 -2.0931 -2.0931 -1.7576 -1.7576 -1.7576 -1.7576 -0.2772 -0.2772 -0.2772 -0.2772 5.4678 5.4678 5.4678 5.4678 6.2461 6.2461 6.2461 6.2461 k = 0.5000 0.2835-0.0000 ( 6014 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6252 -20.6252 -20.6252 -20.6252 -20.6097 -20.6097 -20.6097 -20.6097 -15.5665 -15.5665 -15.5665 -15.5665 -3.6494 -3.6494 -3.6494 -3.6494 -2.0832 -2.0832 -2.0832 -2.0832 -1.7558 -1.7558 -1.7558 -1.7558 -0.2675 -0.2675 -0.2675 -0.2675 5.4454 5.4454 5.4454 5.4454 6.2247 6.2247 6.2247 6.2247 k = 0.5000 0.2948-0.0000 ( 6010 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6252 -20.6252 -20.6252 -20.6252 -20.6097 -20.6097 -20.6097 -20.6097 -15.5666 -15.5666 -15.5666 -15.5666 -3.6582 -3.6582 -3.6582 -3.6582 -2.0743 -2.0743 -2.0743 -2.0743 -1.7542 -1.7542 -1.7542 -1.7542 -0.2587 -0.2587 -0.2587 -0.2587 5.4255 5.4255 5.4255 5.4255 6.2055 6.2055 6.2055 6.2055 k = 0.5000 0.3062-0.0000 ( 6014 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6097 -20.6097 -20.6097 -20.6097 -15.5666 -15.5666 -15.5666 -15.5666 -3.6659 -3.6659 -3.6659 -3.6659 -2.0665 -2.0665 -2.0665 -2.0665 -1.7528 -1.7528 -1.7528 -1.7528 -0.2509 -0.2509 -0.2509 -0.2509 5.4080 5.4080 5.4080 5.4080 6.1888 6.1888 6.1888 6.1888 k = 0.5000 0.3175-0.0000 ( 6020 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6096 -20.6096 -20.6096 -20.6096 -15.5666 -15.5666 -15.5666 -15.5666 -3.6725 -3.6725 -3.6725 -3.6725 -2.0599 -2.0599 -2.0599 -2.0599 -1.7516 -1.7516 -1.7516 -1.7516 -0.2442 -0.2442 -0.2442 -0.2442 5.3931 5.3931 5.3931 5.3931 6.1744 6.1744 6.1744 6.1744 k = 0.5000 0.3289-0.0000 ( 6016 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6096 -20.6096 -20.6096 -20.6096 -15.5666 -15.5666 -15.5666 -15.5666 -3.6779 -3.6779 -3.6779 -3.6779 -2.0544 -2.0544 -2.0544 -2.0544 -1.7506 -1.7506 -1.7506 -1.7506 -0.2387 -0.2387 -0.2387 -0.2387 5.3808 5.3808 5.3808 5.3808 6.1626 6.1626 6.1626 6.1626 k = 0.5000 0.3402-0.0000 ( 6012 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6096 -20.6096 -20.6096 -20.6096 -15.5666 -15.5666 -15.5666 -15.5666 -3.6821 -3.6821 -3.6821 -3.6821 -2.0501 -2.0501 -2.0501 -2.0501 -1.7498 -1.7498 -1.7498 -1.7498 -0.2343 -0.2343 -0.2343 -0.2343 5.3711 5.3711 5.3711 5.3711 6.1533 6.1533 6.1533 6.1533 k = 0.5000 0.3515-0.0000 ( 6010 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6096 -20.6096 -20.6096 -20.6096 -15.5666 -15.5666 -15.5666 -15.5666 -3.6852 -3.6852 -3.6852 -3.6852 -2.0470 -2.0470 -2.0470 -2.0470 -1.7492 -1.7492 -1.7492 -1.7492 -0.2312 -0.2312 -0.2312 -0.2312 5.3642 5.3642 5.3642 5.3642 6.1467 6.1467 6.1467 6.1467 k = 0.5000 0.3629-0.0000 ( 6014 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6096 -20.6096 -20.6096 -20.6096 -15.5666 -15.5666 -15.5666 -15.5666 -3.6870 -3.6870 -3.6870 -3.6870 -2.0451 -2.0451 -2.0451 -2.0451 -1.7489 -1.7489 -1.7489 -1.7489 -0.2293 -0.2293 -0.2293 -0.2293 5.3601 5.3601 5.3601 5.3601 6.1427 6.1427 6.1427 6.1427 k = 0.5000 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6095 -20.6095 -20.6095 -20.6095 -15.5666 -15.5666 -15.5666 -15.5666 -3.6876 -3.6876 -3.6876 -3.6876 -2.0445 -2.0445 -2.0445 -2.0445 -1.7487 -1.7487 -1.7487 -1.7487 -0.2286 -0.2286 -0.2286 -0.2286 5.3587 5.3587 5.3587 5.3587 6.1413 6.1413 6.1413 6.1413 k = 0.5000 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6095 -20.6095 -20.6095 -20.6095 -15.5666 -15.5666 -15.5666 -15.5666 -3.6876 -3.6876 -3.6876 -3.6876 -2.0445 -2.0445 -2.0445 -2.0445 -1.7487 -1.7487 -1.7487 -1.7487 -0.2286 -0.2286 -0.2286 -0.2286 5.3587 5.3587 5.3587 5.3587 6.1413 6.1413 6.1413 6.1413 k = 0.4886 0.3742-0.0000 ( 6006 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7966 -20.7966 -20.6253 -20.6253 -20.6253 -20.6253 -20.6096 -20.6096 -20.6095 -20.6095 -15.5676 -15.5676 -15.5658 -15.5658 -3.6898 -3.6898 -3.6861 -3.6861 -2.0450 -2.0450 -2.0425 -2.0425 -1.7523 -1.7523 -1.7457 -1.7457 -0.2437 -0.2437 -0.2136 -0.2136 5.3483 5.3483 5.3729 5.3729 6.1153 6.1153 6.1680 6.1680 k = 0.4773 0.3742-0.0000 ( 5998 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7966 -20.7966 -20.6253 -20.6253 -20.6253 -20.6253 -20.6095 -20.6095 -20.6094 -20.6094 -15.5688 -15.5688 -15.5651 -15.5651 -3.6927 -3.6927 -3.6853 -3.6853 -2.0439 -2.0439 -2.0389 -2.0389 -1.7563 -1.7563 -1.7432 -1.7432 -0.2589 -0.2589 -0.1989 -0.1989 5.3417 5.3417 5.3909 5.3909 6.0899 6.0899 6.1953 6.1953 k = 0.4659 0.3742-0.0000 ( 5998 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7965 -20.7965 -20.6253 -20.6253 -20.6252 -20.6252 -20.6095 -20.6095 -20.6093 -20.6093 -15.5702 -15.5702 -15.5646 -15.5646 -3.6963 -3.6963 -3.6851 -3.6851 -2.0414 -2.0414 -2.0338 -2.0338 -1.7609 -1.7609 -1.7413 -1.7413 -0.2741 -0.2741 -0.1843 -0.1843 5.3389 5.3389 5.4125 5.4125 6.0653 6.0653 6.2232 6.2232 k = 0.4545 0.3742-0.0000 ( 6000 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7965 -20.7965 -20.6254 -20.6254 -20.6252 -20.6252 -20.6094 -20.6094 -20.6091 -20.6091 -15.5717 -15.5717 -15.5643 -15.5643 -3.7005 -3.7005 -3.6856 -3.6856 -2.0373 -2.0373 -2.0272 -2.0272 -1.7659 -1.7659 -1.7398 -1.7398 -0.2893 -0.2893 -0.1701 -0.1701 5.3401 5.3401 5.4378 5.4378 6.0414 6.0414 6.2516 6.2516 k = 0.4432 0.3742-0.0000 ( 5996 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7964 -20.7964 -20.6253 -20.6253 -20.6252 -20.6252 -20.6093 -20.6093 -20.6089 -20.6089 -15.5733 -15.5733 -15.5641 -15.5641 -3.7054 -3.7054 -3.6868 -3.6868 -2.0318 -2.0318 -2.0190 -2.0190 -1.7714 -1.7714 -1.7389 -1.7389 -0.3045 -0.3045 -0.1561 -0.1561 5.3451 5.3451 5.4665 5.4665 6.0183 6.0183 6.2805 6.2805 k = 0.4318 0.3742-0.0000 ( 6004 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7963 -20.7963 -20.6254 -20.6254 -20.6251 -20.6251 -20.6092 -20.6092 -20.6088 -20.6088 -15.5751 -15.5751 -15.5641 -15.5641 -3.7110 -3.7110 -3.6887 -3.6887 -2.0247 -2.0247 -2.0093 -2.0093 -1.7773 -1.7773 -1.7385 -1.7385 -0.3196 -0.3196 -0.1425 -0.1425 5.3540 5.3540 5.4988 5.4988 5.9960 5.9960 6.3097 6.3097 k = 0.4205 0.3742-0.0000 ( 6004 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7965 -20.7965 -20.7962 -20.7962 -20.6254 -20.6254 -20.6251 -20.6251 -20.6090 -20.6090 -20.6085 -20.6085 -15.5771 -15.5771 -15.5643 -15.5643 -3.7172 -3.7172 -3.6911 -3.6911 -2.0162 -2.0162 -1.9982 -1.9982 -1.7837 -1.7837 -1.7386 -1.7386 -0.3346 -0.3346 -0.1294 -0.1294 5.3668 5.3668 5.5344 5.5344 5.9745 5.9745 6.3393 6.3393 k = 0.4091 0.3742-0.0000 ( 6006 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7964 -20.7964 -20.7961 -20.7961 -20.6254 -20.6254 -20.6251 -20.6251 -20.6089 -20.6089 -20.6083 -20.6083 -15.5792 -15.5792 -15.5646 -15.5646 -3.7240 -3.7240 -3.6942 -3.6942 -2.0062 -2.0062 -1.9855 -1.9855 -1.7905 -1.7905 -1.7392 -1.7392 -0.3494 -0.3494 -0.1167 -0.1167 5.3835 5.3835 5.5732 5.5732 5.9538 5.9538 6.3691 6.3691 k = 0.3977 0.3742-0.0000 ( 6008 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7964 -20.7964 -20.7960 -20.7960 -20.6254 -20.6254 -20.6251 -20.6251 -20.6086 -20.6086 -20.6080 -20.6080 -15.5814 -15.5814 -15.5650 -15.5650 -3.7314 -3.7314 -3.6979 -3.6979 -1.9948 -1.9948 -1.9714 -1.9714 -1.7976 -1.7976 -1.7403 -1.7403 -0.3641 -0.3641 -0.1046 -0.1046 5.4039 5.4039 5.6153 5.6153 5.9339 5.9339 6.3991 6.3991 k = 0.3864 0.3742-0.0000 ( 6016 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7963 -20.7963 -20.7959 -20.7959 -20.6254 -20.6254 -20.6251 -20.6251 -20.6084 -20.6084 -20.6077 -20.6077 -15.5837 -15.5837 -15.5656 -15.5656 -3.7394 -3.7394 -3.7022 -3.7022 -1.9821 -1.9821 -1.9559 -1.9559 -1.8051 -1.8051 -1.7418 -1.7418 -0.3786 -0.3786 -0.0930 -0.0930 5.4282 5.4282 5.6604 5.6604 5.9148 5.9148 6.4292 6.4292 k = 0.3750 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7962 -20.7962 -20.7957 -20.7957 -20.6254 -20.6254 -20.6251 -20.6251 -20.6080 -20.6080 -20.6073 -20.6073 -15.5862 -15.5862 -15.5663 -15.5663 -3.7480 -3.7480 -3.7070 -3.7070 -1.9679 -1.9679 -1.9389 -1.9389 -1.8129 -1.8129 -1.7438 -1.7438 -0.3929 -0.3929 -0.0820 -0.0820 5.4561 5.4561 5.7084 5.7084 5.8966 5.8966 6.4593 6.4593 k = 0.3636 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7961 -20.7961 -20.7956 -20.7956 -20.6254 -20.6254 -20.6251 -20.6251 -20.6077 -20.6077 -20.6069 -20.6069 -15.5887 -15.5887 -15.5672 -15.5672 -3.7570 -3.7570 -3.7124 -3.7124 -1.9524 -1.9524 -1.9206 -1.9206 -1.8209 -1.8209 -1.7461 -1.7461 -0.4070 -0.4070 -0.0716 -0.0716 5.4877 5.4877 5.7593 5.7593 5.8791 5.8791 6.4893 6.4893 k = 0.3523 0.3742-0.0000 ( 6008 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7959 -20.7959 -20.7954 -20.7954 -20.6254 -20.6254 -20.6251 -20.6251 -20.6073 -20.6073 -20.6065 -20.6065 -15.5913 -15.5913 -15.5682 -15.5682 -3.7666 -3.7666 -3.7183 -3.7183 -1.9357 -1.9357 -1.9010 -1.9010 -1.8292 -1.8292 -1.7489 -1.7489 -0.4209 -0.4209 -0.0619 -0.0619 5.5228 5.5228 5.8128 5.8128 5.8624 5.8624 6.5192 6.5192 k = 0.3409 0.3742-0.0000 ( 6008 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7958 -20.7958 -20.7953 -20.7953 -20.6255 -20.6255 -20.6251 -20.6251 -20.6069 -20.6069 -20.6060 -20.6060 -15.5941 -15.5941 -15.5693 -15.5693 -3.7765 -3.7765 -3.7246 -3.7246 -1.9177 -1.9177 -1.8802 -1.8802 -1.8377 -1.8377 -1.7521 -1.7521 -0.4346 -0.4346 -0.0528 -0.0528 5.5614 5.5614 5.8464 5.8464 5.8689 5.8689 6.5489 6.5489 k = 0.3295 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7957 -20.7957 -20.7951 -20.7951 -20.6255 -20.6255 -20.6251 -20.6251 -20.6064 -20.6064 -20.6055 -20.6055 -15.5969 -15.5969 -15.5705 -15.5705 -3.7869 -3.7869 -3.7313 -3.7313 -1.8986 -1.8986 -1.8582 -1.8582 -1.8463 -1.8463 -1.7555 -1.7555 -0.4481 -0.4481 -0.0444 -0.0444 5.6033 5.6033 5.8313 5.8313 5.9274 5.9274 6.5783 6.5783 k = 0.3182 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7956 -20.7956 -20.7950 -20.7950 -20.6256 -20.6256 -20.6252 -20.6252 -20.6059 -20.6059 -20.6050 -20.6050 -15.5997 -15.5997 -15.5718 -15.5718 -3.7976 -3.7976 -3.7384 -3.7384 -1.8787 -1.8787 -1.8549 -1.8549 -1.8350 -1.8350 -1.7593 -1.7593 -0.4614 -0.4614 -0.0368 -0.0368 5.6484 5.6484 5.8168 5.8168 5.9881 5.9881 6.6073 6.6073 k = 0.3068 0.3742-0.0000 ( 6024 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7954 -20.7954 -20.7948 -20.7948 -20.6257 -20.6257 -20.6253 -20.6253 -20.6054 -20.6054 -20.6045 -20.6045 -15.6026 -15.6026 -15.5732 -15.5732 -3.8087 -3.8087 -3.7459 -3.7459 -1.8663 -1.8663 -1.8548 -1.8548 -1.8109 -1.8109 -1.7632 -1.7632 -0.4745 -0.4745 -0.0299 -0.0299 5.6965 5.6965 5.8031 5.8031 6.0510 6.0510 6.6358 6.6358 k = 0.2955 0.3742-0.0000 ( 6020 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7953 -20.7953 -20.7947 -20.7947 -20.6257 -20.6257 -20.6254 -20.6254 -20.6048 -20.6048 -20.6039 -20.6039 -15.6056 -15.6056 -15.5746 -15.5746 -3.8199 -3.8199 -3.7536 -3.7536 -1.8740 -1.8740 -1.8337 -1.8337 -1.7864 -1.7864 -1.7669 -1.7669 -0.4874 -0.4874 -0.0237 -0.0237 5.7474 5.7474 5.7902 5.7902 6.1159 6.1159 6.6637 6.6637 k = 0.2841 0.3742-0.0000 ( 6008 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7951 -20.7951 -20.7945 -20.7945 -20.6258 -20.6258 -20.6254 -20.6254 -20.6042 -20.6042 -20.6033 -20.6033 -15.6085 -15.6085 -15.5762 -15.5762 -3.8314 -3.8314 -3.7616 -3.7616 -1.8829 -1.8829 -1.8107 -1.8107 -1.7736 -1.7736 -1.7581 -1.7581 -0.5001 -0.5001 -0.0182 -0.0182 5.7774 5.7774 5.8017 5.8017 6.1825 6.1825 6.6910 6.6910 k = 0.2727 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7950 -20.7950 -20.7944 -20.7944 -20.6259 -20.6259 -20.6255 -20.6255 -20.6036 -20.6036 -20.6027 -20.6027 -15.6115 -15.6115 -15.5777 -15.5777 -3.8430 -3.8430 -3.7698 -3.7698 -1.8919 -1.8919 -1.7867 -1.7867 -1.7774 -1.7774 -1.7322 -1.7322 -0.5126 -0.5126 -0.0134 -0.0134 5.7659 5.7659 5.8578 5.8578 6.2507 6.2507 6.7177 6.7177 k = 0.2614 0.3742-0.0000 ( 6018 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7949 -20.7949 -20.7942 -20.7942 -20.6260 -20.6260 -20.6257 -20.6257 -20.6030 -20.6030 -20.6021 -20.6021 -15.6145 -15.6145 -15.5794 -15.5794 -3.8547 -3.8547 -3.7781 -3.7781 -1.9009 -1.9009 -1.7823 -1.7823 -1.7617 -1.7617 -1.7050 -1.7050 -0.5250 -0.5250 -0.0094 -0.0094 5.7549 5.7549 5.9164 5.9164 6.3204 6.3204 6.7435 6.7435 k = 0.2500 0.3742-0.0000 ( 6024 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7947 -20.7947 -20.7941 -20.7941 -20.6261 -20.6261 -20.6258 -20.6258 -20.6024 -20.6024 -20.6015 -20.6015 -15.6175 -15.6175 -15.5810 -15.5810 -3.8665 -3.8665 -3.7865 -3.7865 -1.9098 -1.9098 -1.7871 -1.7871 -1.7363 -1.7363 -1.6771 -1.6771 -0.5373 -0.5373 -0.0060 -0.0060 5.7445 5.7445 5.9771 5.9771 6.3912 6.3912 6.7686 6.7686 k = 0.2386 0.3742-0.0000 ( 6028 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7946 -20.7946 -20.7940 -20.7940 -20.6262 -20.6262 -20.6259 -20.6259 -20.6018 -20.6018 -20.6009 -20.6009 -15.6204 -15.6204 -15.5827 -15.5827 -3.8782 -3.8782 -3.7950 -3.7950 -1.9186 -1.9186 -1.7921 -1.7921 -1.7104 -1.7104 -1.6489 -1.6489 -0.5494 -0.5494 -0.0033 -0.0033 5.7347 5.7347 6.0398 6.0398 6.4631 6.4631 6.7928 6.7928 k = 0.2273 0.3742-0.0000 ( 6016 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7944 -20.7944 -20.7938 -20.7938 -20.6263 -20.6263 -20.6260 -20.6260 -20.6011 -20.6011 -20.6002 -20.6002 -15.6233 -15.6233 -15.5844 -15.5844 -3.8898 -3.8898 -3.8034 -3.8034 -1.9273 -1.9273 -1.7972 -1.7972 -1.6840 -1.6840 -1.6203 -1.6203 -0.5614 -0.5614 -0.0013 -0.0013 5.7255 5.7255 6.1041 6.1041 6.5358 6.5358 6.8160 6.8160 k = 0.2159 0.3742-0.0000 ( 6024 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7943 -20.7943 -20.7937 -20.7937 -20.6265 -20.6265 -20.6261 -20.6261 -20.6005 -20.6005 -20.5996 -20.5996 -15.6262 -15.6262 -15.5861 -15.5861 -3.9013 -3.9013 -3.8119 -3.8119 -1.9358 -1.9358 -1.8022 -1.8022 -1.6572 -1.6572 -1.5915 -1.5915 -0.5733 -0.5733 0.0001 0.0001 5.7168 5.7168 6.1698 6.1698 6.6090 6.6090 6.8383 6.8383 k = 0.2045 0.3742-0.0000 ( 6024 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7942 -20.7942 -20.7936 -20.7936 -20.6266 -20.6266 -20.6263 -20.6263 -20.5998 -20.5998 -20.5989 -20.5989 -15.6290 -15.6290 -15.5877 -15.5877 -3.9126 -3.9126 -3.8202 -3.8202 -1.9440 -1.9440 -1.8072 -1.8072 -1.6303 -1.6303 -1.5628 -1.5628 -0.5852 -0.5852 0.0008 0.0008 5.7087 5.7087 6.2365 6.2365 6.6826 6.6826 6.8595 6.8595 k = 0.1932 0.3742-0.0000 ( 6040 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7941 -20.7941 -20.7935 -20.7935 -20.6267 -20.6267 -20.6265 -20.6265 -20.5992 -20.5992 -20.5984 -20.5984 -15.6317 -15.6317 -15.5894 -15.5894 -3.9236 -3.9236 -3.8283 -3.8283 -1.9521 -1.9521 -1.8122 -1.8122 -1.6034 -1.6034 -1.5343 -1.5343 -0.5969 -0.5969 0.0011 0.0011 5.7011 5.7011 6.3041 6.3041 6.7562 6.7562 6.8798 6.8798 k = 0.1818 0.3742-0.0000 ( 6040 PWs) bands (ev): -48.7453 -48.7453 -48.7452 -48.7452 -20.7940 -20.7940 -20.7934 -20.7934 -20.6269 -20.6269 -20.6266 -20.6266 -20.5985 -20.5985 -20.5978 -20.5978 -15.6343 -15.6343 -15.5910 -15.5910 -3.9343 -3.9343 -3.8363 -3.8363 -1.9598 -1.9598 -1.8171 -1.8171 -1.5765 -1.5765 -1.5061 -1.5061 -0.6085 -0.6085 0.0008 0.0008 5.6940 5.6940 6.3721 6.3721 6.8295 6.8295 6.8989 6.8989 k = 0.1705 0.3742-0.0000 ( 6036 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7938 -20.7938 -20.7933 -20.7933 -20.6270 -20.6270 -20.6267 -20.6267 -20.5979 -20.5979 -20.5971 -20.5971 -15.6368 -15.6368 -15.5926 -15.5926 -3.9446 -3.9446 -3.8440 -3.8440 -1.9672 -1.9672 -1.8218 -1.8218 -1.5498 -1.5498 -1.4783 -1.4783 -0.6200 -0.6200 0.0000 0.0000 5.6874 5.6874 6.4402 6.4402 6.9019 6.9019 6.9174 6.9174 k = 0.1591 0.3742-0.0000 ( 6028 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7937 -20.7937 -20.7932 -20.7932 -20.6271 -20.6271 -20.6269 -20.6269 -20.5972 -20.5972 -20.5965 -20.5965 -15.6392 -15.6392 -15.5941 -15.5941 -3.9545 -3.9545 -3.8515 -3.8515 -1.9743 -1.9743 -1.8264 -1.8264 -1.5235 -1.5235 -1.4513 -1.4513 -0.6314 -0.6314 -0.0012 -0.0012 5.6813 5.6813 6.5082 6.5082 6.9335 6.9335 6.9748 6.9748 k = 0.1477 0.3742-0.0000 ( 6024 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7936 -20.7936 -20.7931 -20.7931 -20.6272 -20.6272 -20.6270 -20.6270 -20.5966 -20.5966 -20.5959 -20.5959 -15.6415 -15.6415 -15.5956 -15.5956 -3.9640 -3.9640 -3.8586 -3.8586 -1.9810 -1.9810 -1.8308 -1.8308 -1.4977 -1.4977 -1.4250 -1.4250 -0.6427 -0.6427 -0.0027 -0.0027 5.6757 5.6757 6.5755 6.5755 6.9494 6.9494 7.0454 7.0454 k = 0.1364 0.3742-0.0000 ( 6020 PWs) bands (ev): -48.7454 -48.7454 -48.7453 -48.7453 -20.7935 -20.7935 -20.7930 -20.7930 -20.6273 -20.6273 -20.6271 -20.6271 -20.5960 -20.5960 -20.5954 -20.5954 -15.6437 -15.6437 -15.5969 -15.5969 -3.9729 -3.9729 -3.8653 -3.8653 -1.9874 -1.9874 -1.8350 -1.8350 -1.4726 -1.4726 -1.3997 -1.3997 -0.6537 -0.6537 -0.0046 -0.0046 5.6705 5.6705 6.6419 6.6419 6.9640 6.9640 7.1145 7.1145 k = 0.1250 0.3742-0.0000 ( 6014 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7934 -20.7934 -20.7929 -20.7929 -20.6274 -20.6274 -20.6272 -20.6272 -20.5955 -20.5955 -20.5949 -20.5949 -15.6457 -15.6457 -15.5983 -15.5983 -3.9813 -3.9813 -3.8717 -3.8717 -1.9933 -1.9933 -1.8389 -1.8389 -1.4483 -1.4483 -1.3757 -1.3757 -0.6646 -0.6646 -0.0067 -0.0067 5.6658 5.6658 6.7069 6.7069 6.9774 6.9774 7.1816 7.1816 k = 0.1136 0.3742-0.0000 ( 6014 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7933 -20.7933 -20.7928 -20.7928 -20.6275 -20.6275 -20.6273 -20.6273 -20.5950 -20.5950 -20.5944 -20.5944 -15.6476 -15.6476 -15.5995 -15.5995 -3.9891 -3.9891 -3.8776 -3.8776 -1.9987 -1.9987 -1.8426 -1.8426 -1.4251 -1.4251 -1.3529 -1.3529 -0.6751 -0.6751 -0.0089 -0.0089 5.6615 5.6615 6.7702 6.7702 6.9897 6.9897 7.2461 7.2461 k = 0.1023 0.3742-0.0000 ( 6022 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7932 -20.7932 -20.7928 -20.7928 -20.6276 -20.6276 -20.6274 -20.6274 -20.5945 -20.5945 -20.5940 -20.5940 -15.6493 -15.6493 -15.6006 -15.6006 -3.9963 -3.9963 -3.8831 -3.8831 -2.0038 -2.0038 -1.8460 -1.8460 -1.4031 -1.4031 -1.3317 -1.3317 -0.6852 -0.6852 -0.0113 -0.0113 5.6577 5.6577 6.8312 6.8312 7.0008 7.0008 7.3076 7.3076 k = 0.0909 0.3742-0.0000 ( 6010 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7931 -20.7931 -20.7927 -20.7927 -20.6277 -20.6277 -20.6275 -20.6275 -20.5940 -20.5940 -20.5936 -20.5936 -15.6509 -15.6509 -15.6016 -15.6016 -4.0028 -4.0028 -3.8880 -3.8880 -2.0083 -2.0083 -1.8491 -1.8491 -1.3826 -1.3826 -1.3122 -1.3122 -0.6948 -0.6948 -0.0136 -0.0136 5.6543 5.6543 6.8896 6.8896 7.0107 7.0107 7.3654 7.3654 k = 0.0795 0.3742-0.0000 ( 6010 PWs) bands (ev): -48.7455 -48.7455 -48.7454 -48.7454 -20.7930 -20.7930 -20.7927 -20.7927 -20.6277 -20.6277 -20.6276 -20.6276 -20.5936 -20.5936 -20.5932 -20.5932 -15.6523 -15.6523 -15.6026 -15.6026 -4.0086 -4.0086 -3.8924 -3.8924 -2.0123 -2.0123 -1.8519 -1.8519 -1.3637 -1.3637 -1.2945 -1.2945 -0.7039 -0.7039 -0.0160 -0.0160 5.6513 5.6513 6.9450 6.9450 7.0194 7.0194 7.4188 7.4188 k = 0.0682 0.3742-0.0000 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7929 -20.7929 -20.7927 -20.7927 -20.6278 -20.6278 -20.6277 -20.6277 -20.5932 -20.5932 -20.5929 -20.5929 -15.6535 -15.6535 -15.6034 -15.6034 -4.0137 -4.0137 -3.8963 -3.8963 -2.0159 -2.0159 -1.8544 -1.8544 -1.3466 -1.3466 -1.2788 -1.2788 -0.7121 -0.7121 -0.0181 -0.0181 5.6487 5.6487 6.9968 6.9968 7.0270 7.0270 7.4673 7.4673 k = 0.0568 0.3742-0.0000 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7929 -20.7929 -20.7926 -20.7926 -20.6279 -20.6279 -20.6277 -20.6277 -20.5929 -20.5929 -20.5926 -20.5926 -15.6546 -15.6546 -15.6041 -15.6041 -4.0181 -4.0181 -3.8997 -3.8997 -2.0189 -2.0189 -1.8565 -1.8565 -1.3317 -1.3317 -1.2653 -1.2653 -0.7195 -0.7195 -0.0201 -0.0201 5.6465 5.6465 7.0334 7.0334 7.0445 7.0445 7.5101 7.5101 k = 0.0455 0.3742-0.0000 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7928 -20.7928 -20.7926 -20.7926 -20.6279 -20.6279 -20.6277 -20.6277 -20.5926 -20.5926 -20.5924 -20.5924 -15.6554 -15.6554 -15.6047 -15.6047 -4.0217 -4.0217 -3.9024 -3.9024 -2.0214 -2.0214 -1.8582 -1.8582 -1.3191 -1.3191 -1.2540 -1.2540 -0.7259 -0.7259 -0.0219 -0.0219 5.6447 5.6447 7.0386 7.0386 7.0874 7.0874 7.5195 7.5195 k = 0.0341 0.3742-0.0000 ( 5996 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7926 -20.7926 -20.6279 -20.6279 -20.6278 -20.6278 -20.5924 -20.5924 -20.5923 -20.5923 -15.6561 -15.6561 -15.6051 -15.6051 -4.0245 -4.0245 -3.9046 -3.9046 -2.0233 -2.0233 -1.8595 -1.8595 -1.3090 -1.3090 -1.2452 -1.2452 -0.7310 -0.7310 -0.0233 -0.0233 5.6433 5.6433 7.0427 7.0427 7.1243 7.1243 7.4928 7.4928 k = 0.0227 0.3742-0.0000 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7926 -20.7926 -20.6280 -20.6280 -20.6279 -20.6279 -20.5923 -20.5923 -20.5922 -20.5922 -15.6566 -15.6566 -15.6054 -15.6054 -4.0265 -4.0265 -3.9061 -3.9061 -2.0247 -2.0247 -1.8605 -1.8605 -1.3017 -1.3017 -1.2388 -1.2388 -0.7348 -0.7348 -0.0243 -0.0243 5.6423 5.6423 7.0456 7.0456 7.1536 7.1536 7.4710 7.4710 k = 0.0114 0.3742-0.0000 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7926 -20.7926 -20.6280 -20.6280 -20.6279 -20.6279 -20.5922 -20.5922 -20.5921 -20.5921 -15.6569 -15.6569 -15.6056 -15.6056 -4.0277 -4.0277 -3.9070 -3.9070 -2.0255 -2.0255 -1.8611 -1.8611 -1.2973 -1.2973 -1.2349 -1.2349 -0.7371 -0.7371 -0.0250 -0.0250 5.6417 5.6417 7.0473 7.0473 7.1730 7.1730 7.4563 7.4563 k = 0.0000 0.3742-0.0000 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7926 -20.7926 -20.6280 -20.6280 -20.6279 -20.6279 -20.5921 -20.5921 -20.5921 -20.5921 -15.6570 -15.6570 -15.6057 -15.6057 -4.0281 -4.0281 -3.9073 -3.9073 -2.0258 -2.0258 -1.8613 -1.8613 -1.2958 -1.2958 -1.2336 -1.2336 -0.7379 -0.7379 -0.0252 -0.0252 5.6415 5.6415 7.0479 7.0479 7.1798 7.1798 7.4510 7.4510 k = 0.0000 0.3742-0.0000 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7926 -20.7926 -20.6280 -20.6280 -20.6279 -20.6279 -20.5921 -20.5921 -20.5921 -20.5921 -15.6570 -15.6570 -15.6057 -15.6057 -4.0281 -4.0281 -3.9073 -3.9073 -2.0258 -2.0258 -1.8613 -1.8613 -1.2958 -1.2958 -1.2336 -1.2336 -0.7379 -0.7379 -0.0252 -0.0252 5.6415 5.6415 7.0479 7.0479 7.1798 7.1798 7.4510 7.4510 k = 0.0000 0.3629-0.0000 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7929 -20.7929 -20.7924 -20.7924 -20.6283 -20.6283 -20.6276 -20.6276 -20.5923 -20.5923 -20.5919 -20.5919 -15.6572 -15.6572 -15.6056 -15.6056 -4.0279 -4.0279 -3.9059 -3.9059 -2.0298 -2.0298 -1.8572 -1.8572 -1.2966 -1.2966 -1.2327 -1.2327 -0.7404 -0.7404 -0.0257 -0.0257 5.6407 5.6407 7.0504 7.0504 7.1795 7.1795 7.4528 7.4528 k = 0.0000 0.3515-0.0000 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7931 -20.7931 -20.7921 -20.7921 -20.6285 -20.6285 -20.6273 -20.6273 -20.5924 -20.5924 -20.5918 -20.5918 -15.6578 -15.6578 -15.6052 -15.6052 -4.0271 -4.0271 -3.9017 -3.9017 -2.0408 -2.0408 -1.8459 -1.8459 -1.2992 -1.2992 -1.2301 -1.2301 -0.7477 -0.7477 -0.0272 -0.0272 5.6384 5.6384 7.0579 7.0579 7.1786 7.1786 7.4584 7.4584 k = 0.0000 0.3402-0.0000 ( 5984 PWs) bands (ev): -48.7455 -48.7455 -48.7454 -48.7454 -20.7934 -20.7934 -20.7918 -20.7918 -20.6288 -20.6288 -20.6269 -20.6269 -20.5926 -20.5926 -20.5916 -20.5916 -15.6588 -15.6588 -15.6045 -15.6045 -4.0257 -4.0257 -3.8948 -3.8948 -2.0566 -2.0566 -1.8295 -1.8295 -1.3030 -1.3030 -1.2262 -1.2262 -0.7599 -0.7599 -0.0298 -0.0298 5.6345 5.6345 7.0702 7.0702 7.1771 7.1771 7.4675 7.4675 k = 0.0000 0.3289-0.0000 ( 5988 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7937 -20.7937 -20.7915 -20.7915 -20.6291 -20.6291 -20.6265 -20.6265 -20.5928 -20.5928 -20.5914 -20.5914 -15.6601 -15.6601 -15.6036 -15.6036 -4.0237 -4.0237 -3.8852 -3.8852 -2.0753 -2.0753 -1.8100 -1.8100 -1.3077 -1.3077 -1.2213 -1.2213 -0.7767 -0.7767 -0.0334 -0.0334 5.6292 5.6292 7.0872 7.0872 7.1751 7.1751 7.4803 7.4803 k = 0.0000 0.3175-0.0000 ( 5992 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7939 -20.7939 -20.7912 -20.7912 -20.6294 -20.6294 -20.6262 -20.6262 -20.5929 -20.5929 -20.5912 -20.5912 -15.6618 -15.6618 -15.6026 -15.6026 -4.0209 -4.0209 -3.8732 -3.8732 -2.0957 -2.0957 -1.7886 -1.7886 -1.3130 -1.3130 -1.2158 -1.2158 -0.7980 -0.7980 -0.0383 -0.0383 5.6227 5.6227 7.1088 7.1088 7.1726 7.1726 7.4966 7.4966 k = 0.0000 0.3062-0.0000 ( 5992 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7941 -20.7941 -20.7909 -20.7909 -20.6297 -20.6297 -20.6258 -20.6258 -20.5931 -20.5931 -20.5911 -20.5911 -15.6637 -15.6637 -15.6015 -15.6015 -4.0173 -4.0173 -3.8588 -3.8588 -2.1170 -2.1170 -1.7661 -1.7661 -1.3186 -1.3186 -1.2098 -1.2098 -0.8236 -0.8236 -0.0443 -0.0443 5.6152 5.6152 7.1347 7.1347 7.1697 7.1697 7.5164 7.5164 k = 0.0000 0.2948-0.0000 ( 5982 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7943 -20.7943 -20.7906 -20.7906 -20.6299 -20.6299 -20.6254 -20.6254 -20.5932 -20.5932 -20.5909 -20.5909 -15.6658 -15.6658 -15.6002 -15.6002 -4.0128 -4.0128 -3.8422 -3.8422 -2.1386 -2.1386 -1.7431 -1.7431 -1.3245 -1.3245 -1.2036 -1.2036 -0.8531 -0.8531 -0.0516 -0.0516 5.6067 5.6067 7.1646 7.1646 7.1665 7.1665 7.5395 7.5395 k = 0.0000 0.2835-0.0000 ( 5982 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7946 -20.7946 -20.7903 -20.7903 -20.6301 -20.6301 -20.6251 -20.6251 -20.5933 -20.5933 -20.5907 -20.5907 -15.6681 -15.6681 -15.5989 -15.5989 -4.0075 -4.0075 -3.8234 -3.8234 -2.1604 -2.1604 -1.7198 -1.7198 -1.3305 -1.3305 -1.1973 -1.1973 -0.8862 -0.8862 -0.0602 -0.0602 5.5975 5.5975 7.1631 7.1631 7.1982 7.1982 7.5659 7.5659 k = 0.0000 0.2722-0.0000 ( 5982 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7947 -20.7947 -20.7900 -20.7900 -20.6303 -20.6303 -20.6247 -20.6247 -20.5935 -20.5935 -20.5905 -20.5905 -15.6705 -15.6705 -15.5975 -15.5975 -4.0013 -4.0013 -3.8026 -3.8026 -2.1820 -2.1820 -1.6964 -1.6964 -1.3365 -1.3365 -1.1909 -1.1909 -0.9228 -0.9228 -0.0702 -0.0702 5.5879 5.5879 7.1596 7.1596 7.2354 7.2354 7.5954 7.5954 k = 0.0000 0.2608-0.0000 ( 5970 PWs) bands (ev): -48.7456 -48.7456 -48.7453 -48.7453 -20.7949 -20.7949 -20.7897 -20.7897 -20.6305 -20.6305 -20.6243 -20.6243 -20.5936 -20.5936 -20.5904 -20.5904 -15.6730 -15.6730 -15.5962 -15.5962 -3.9942 -3.9942 -3.7799 -3.7799 -2.2033 -2.2033 -1.6732 -1.6732 -1.3425 -1.3425 -1.1845 -1.1845 -0.9624 -0.9624 -0.0814 -0.0814 5.5779 5.5779 7.1559 7.1559 7.2756 7.2756 7.6279 7.6279 k = 0.0000 0.2495-0.0000 ( 5980 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7951 -20.7951 -20.7895 -20.7895 -20.6307 -20.6307 -20.6240 -20.6240 -20.5937 -20.5937 -20.5902 -20.5902 -15.6757 -15.6757 -15.5948 -15.5948 -3.9862 -3.9862 -3.7554 -3.7554 -2.2242 -2.2242 -1.6503 -1.6503 -1.3484 -1.3484 -1.1782 -1.1782 -1.0049 -1.0049 -0.0939 -0.0939 5.5678 5.5678 7.1523 7.1523 7.3188 7.3188 7.6631 7.6631 k = 0.0000 0.2381-0.0000 ( 5986 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7953 -20.7953 -20.7892 -20.7892 -20.6309 -20.6309 -20.6237 -20.6237 -20.5939 -20.5939 -20.5901 -20.5901 -15.6783 -15.6783 -15.5935 -15.5935 -3.9776 -3.9776 -3.7291 -3.7291 -2.2447 -2.2447 -1.6278 -1.6278 -1.3542 -1.3542 -1.1719 -1.1719 -1.0498 -1.0498 -0.1075 -0.1075 5.5576 5.5576 7.1486 7.1486 7.3645 7.3645 7.7010 7.7010 k = 0.0000 0.2268-0.0000 ( 5982 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7955 -20.7955 -20.7889 -20.7889 -20.6311 -20.6311 -20.6233 -20.6233 -20.5940 -20.5940 -20.5899 -20.5899 -15.6810 -15.6810 -15.5922 -15.5922 -3.9682 -3.9682 -3.7011 -3.7011 -2.2645 -2.2645 -1.6058 -1.6058 -1.3599 -1.3599 -1.1658 -1.1658 -1.0969 -1.0969 -0.1223 -0.1223 5.5476 5.5476 7.1451 7.1451 7.4124 7.4124 7.7307 7.7307 k = 0.0000 0.2155-0.0000 ( 5974 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7956 -20.7956 -20.7886 -20.7886 -20.6312 -20.6312 -20.6230 -20.6230 -20.5941 -20.5941 -20.5897 -20.5897 -15.6837 -15.6837 -15.5909 -15.5909 -3.9581 -3.9581 -3.6716 -3.6716 -2.2837 -2.2837 -1.5843 -1.5843 -1.3653 -1.3653 -1.1599 -1.1599 -1.1458 -1.1458 -0.1381 -0.1381 5.5378 5.5378 7.1417 7.1417 7.4623 7.4623 7.7454 7.7454 k = 0.0000 0.2041-0.0000 ( 5978 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7957 -20.7957 -20.7884 -20.7884 -20.6314 -20.6314 -20.6226 -20.6226 -20.5942 -20.5942 -20.5896 -20.5896 -15.6863 -15.6863 -15.5897 -15.5897 -3.9476 -3.9476 -3.6407 -3.6407 -2.3022 -2.3022 -1.5635 -1.5635 -1.3706 -1.3706 -1.1966 -1.1966 -1.1539 -1.1539 -0.1547 -0.1547 5.5283 5.5283 7.1384 7.1384 7.5138 7.5138 7.7603 7.7603 k = 0.0000 0.1928-0.0000 ( 5978 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7959 -20.7959 -20.7881 -20.7881 -20.6315 -20.6315 -20.6224 -20.6224 -20.5943 -20.5943 -20.5894 -20.5894 -15.6889 -15.6889 -15.5886 -15.5886 -3.9366 -3.9366 -3.6085 -3.6085 -2.3199 -2.3199 -1.5435 -1.5435 -1.3758 -1.3758 -1.2483 -1.2483 -1.1483 -1.1483 -0.1720 -0.1720 5.5193 5.5193 7.1353 7.1353 7.5665 7.5665 7.7752 7.7752 k = 0.0000 0.1814-0.0000 ( 5984 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7960 -20.7960 -20.7879 -20.7879 -20.6317 -20.6317 -20.6220 -20.6220 -20.5944 -20.5944 -20.5893 -20.5893 -15.6915 -15.6915 -15.5875 -15.5875 -3.9253 -3.9253 -3.5751 -3.5751 -2.3368 -2.3368 -1.5242 -1.5242 -1.3806 -1.3806 -1.3011 -1.3011 -1.1429 -1.1429 -0.1898 -0.1898 5.5107 5.5107 7.1323 7.1323 7.6202 7.6202 7.7900 7.7900 k = 0.0000 0.1701-0.0000 ( 5984 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7961 -20.7961 -20.7877 -20.7877 -20.6318 -20.6318 -20.6218 -20.6218 -20.5944 -20.5944 -20.5892 -20.5892 -15.6940 -15.6940 -15.5865 -15.5865 -3.9138 -3.9138 -3.5407 -3.5407 -2.3529 -2.3529 -1.5058 -1.5058 -1.3853 -1.3853 -1.3544 -1.3544 -1.1378 -1.1378 -0.2080 -0.2080 5.5026 5.5026 7.1296 7.1296 7.6745 7.6745 7.8047 7.8047 k = 0.0000 0.1588-0.0000 ( 5984 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7962 -20.7962 -20.7875 -20.7875 -20.6319 -20.6319 -20.6215 -20.6215 -20.5945 -20.5945 -20.5891 -20.5891 -15.6963 -15.6963 -15.5856 -15.5856 -3.9022 -3.9022 -3.5054 -3.5054 -2.3681 -2.3681 -1.4883 -1.4883 -1.4082 -1.4082 -1.3896 -1.3896 -1.1329 -1.1329 -0.2263 -0.2263 5.4951 5.4951 7.1271 7.1271 7.7289 7.7289 7.8191 7.8191 k = 0.0000 0.1474-0.0000 ( 5996 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7964 -20.7964 -20.7873 -20.7873 -20.6320 -20.6320 -20.6212 -20.6212 -20.5946 -20.5946 -20.5890 -20.5890 -15.6986 -15.6986 -15.5847 -15.5847 -3.8907 -3.8907 -3.4696 -3.4696 -2.3824 -2.3824 -1.4720 -1.4720 -1.4617 -1.4617 -1.3938 -1.3938 -1.1283 -1.1283 -0.2446 -0.2446 5.4882 5.4882 7.1248 7.1248 7.7831 7.7831 7.8331 7.8331 k = 0.0000 0.1361-0.0000 ( 5988 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7965 -20.7965 -20.7870 -20.7870 -20.6321 -20.6321 -20.6209 -20.6209 -20.5947 -20.5947 -20.5888 -20.5888 -15.7008 -15.7008 -15.5839 -15.5839 -3.8793 -3.8793 -3.4333 -3.4333 -2.3957 -2.3957 -1.5151 -1.5151 -1.4563 -1.4563 -1.3977 -1.3977 -1.1239 -1.1239 -0.2625 -0.2625 5.4819 5.4819 7.1227 7.1227 7.8353 7.8353 7.8479 7.8479 k = 0.0000 0.1247-0.0000 ( 5984 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7965 -20.7965 -20.7868 -20.7868 -20.6322 -20.6322 -20.6206 -20.6206 -20.5947 -20.5947 -20.5887 -20.5887 -15.7029 -15.7029 -15.5832 -15.5832 -3.8683 -3.8683 -3.3970 -3.3970 -2.4081 -2.4081 -1.5674 -1.5674 -1.4419 -1.4419 -1.4013 -1.4013 -1.1198 -1.1198 -0.2800 -0.2800 5.4761 5.4761 7.1209 7.1209 7.8581 7.8581 7.8904 7.8904 k = 0.0000 0.1134-0.0000 ( 5976 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7965 -20.7965 -20.7867 -20.7867 -20.6322 -20.6322 -20.6204 -20.6204 -20.5947 -20.5947 -20.5886 -20.5886 -15.7048 -15.7048 -15.5825 -15.5825 -3.8576 -3.8576 -3.3609 -3.3609 -2.4194 -2.4194 -1.6185 -1.6185 -1.4286 -1.4286 -1.4045 -1.4045 -1.1161 -1.1161 -0.2968 -0.2968 5.4709 5.4709 7.1192 7.1192 7.8704 7.8704 7.9412 7.9412 k = 0.0000 0.1021-0.0000 ( 5970 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7966 -20.7966 -20.7865 -20.7865 -20.6323 -20.6323 -20.6202 -20.6202 -20.5948 -20.5948 -20.5885 -20.5885 -15.7065 -15.7065 -15.5819 -15.5819 -3.8475 -3.8475 -3.3255 -3.3255 -2.4298 -2.4298 -1.6678 -1.6678 -1.4164 -1.4164 -1.4076 -1.4076 -1.1127 -1.1127 -0.3127 -0.3127 5.4663 5.4663 7.1177 7.1177 7.8817 7.8817 7.9900 7.9900 k = 0.0000 0.0907-0.0000 ( 5960 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7967 -20.7967 -20.7863 -20.7863 -20.6323 -20.6323 -20.6199 -20.6199 -20.5948 -20.5948 -20.5884 -20.5884 -15.7081 -15.7081 -15.5814 -15.5814 -3.8381 -3.8381 -3.2911 -3.2911 -2.4391 -2.4391 -1.7147 -1.7147 -1.4103 -1.4103 -1.4054 -1.4054 -1.1096 -1.1096 -0.3276 -0.3276 5.4623 5.4623 7.1164 7.1164 7.8919 7.8919 8.0362 8.0362 k = 0.0000 0.0794-0.0000 ( 5960 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7967 -20.7967 -20.7862 -20.7862 -20.6324 -20.6324 -20.6198 -20.6198 -20.5949 -20.5949 -20.5883 -20.5883 -15.7095 -15.7095 -15.5809 -15.5809 -3.8295 -3.8295 -3.2584 -3.2584 -2.4474 -2.4474 -1.7588 -1.7588 -1.4127 -1.4127 -1.3957 -1.3957 -1.1068 -1.1068 -0.3411 -0.3411 5.4588 5.4588 7.1153 7.1153 7.9012 7.9012 8.0791 8.0791 k = 0.0000 0.0680-0.0000 ( 5960 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7967 -20.7967 -20.7861 -20.7861 -20.6324 -20.6324 -20.6196 -20.6196 -20.5949 -20.5949 -20.5883 -20.5883 -15.7108 -15.7108 -15.5805 -15.5805 -3.8218 -3.8218 -3.2279 -3.2279 -2.4546 -2.4546 -1.7993 -1.7993 -1.4148 -1.4148 -1.3871 -1.3871 -1.1044 -1.1044 -0.3532 -0.3532 5.4558 5.4558 7.1144 7.1144 7.9093 7.9093 8.1181 8.1181 k = 0.0000 0.0567-0.0000 ( 5962 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7968 -20.7968 -20.7860 -20.7860 -20.6324 -20.6324 -20.6195 -20.6195 -20.5949 -20.5949 -20.5882 -20.5882 -15.7119 -15.7119 -15.5802 -15.5802 -3.8151 -3.8151 -3.2003 -3.2003 -2.4607 -2.4607 -1.8355 -1.8355 -1.4166 -1.4166 -1.3799 -1.3799 -1.1024 -1.1024 -0.3638 -0.3638 5.4533 5.4533 7.1136 7.1136 7.9163 7.9163 8.1525 8.1525 k = 0.0000 0.0454-0.0000 ( 5958 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7968 -20.7968 -20.7859 -20.7859 -20.6324 -20.6324 -20.6194 -20.6194 -20.5949 -20.5949 -20.5882 -20.5882 -15.7128 -15.7128 -15.5799 -15.5799 -3.8095 -3.8095 -3.1762 -3.1762 -2.4657 -2.4657 -1.8665 -1.8665 -1.4180 -1.4180 -1.3739 -1.3739 -1.1007 -1.1007 -0.3726 -0.3726 5.4513 5.4513 7.1130 7.1130 7.9221 7.9221 8.1817 8.1817 k = 0.0000 0.0340-0.0000 ( 5959 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7968 -20.7968 -20.7858 -20.7858 -20.6324 -20.6324 -20.6194 -20.6194 -20.5950 -20.5950 -20.5881 -20.5881 -15.7135 -15.7135 -15.5797 -15.5797 -3.8051 -3.8051 -3.1566 -3.1566 -2.4696 -2.4696 -1.8917 -1.8917 -1.4192 -1.4192 -1.3693 -1.3693 -1.0994 -1.0994 -0.3796 -0.3796 5.4497 5.4497 7.1125 7.1125 7.9267 7.9267 8.2052 8.2052 k = 0.0000 0.0227-0.0000 ( 5953 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6193 -20.6193 -20.5950 -20.5950 -20.5881 -20.5881 -15.7140 -15.7140 -15.5796 -15.5796 -3.8018 -3.8018 -3.1419 -3.1419 -2.4724 -2.4724 -1.9104 -1.9104 -1.4200 -1.4200 -1.3659 -1.3659 -1.0984 -1.0984 -0.3846 -0.3846 5.4486 5.4486 7.1122 7.1122 7.9300 7.9300 8.2223 8.2223 k = 0.0000 0.0113-0.0000 ( 5953 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6192 -20.6192 -20.5950 -20.5950 -20.5880 -20.5880 -15.7143 -15.7143 -15.5795 -15.5795 -3.7999 -3.7999 -3.1329 -3.1329 -2.4741 -2.4741 -1.9218 -1.9218 -1.4205 -1.4205 -1.3639 -1.3639 -1.0979 -1.0979 -0.3877 -0.3877 5.4480 5.4480 7.1120 7.1120 7.9320 7.9320 8.2328 8.2328 k = 0.0000 0.0000 0.0000 ( 5953 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6192 -20.6192 -20.5950 -20.5950 -20.5880 -20.5880 -15.7144 -15.7144 -15.5795 -15.5795 -3.7992 -3.7992 -3.1298 -3.1298 -2.4746 -2.4746 -1.9256 -1.9256 -1.4207 -1.4207 -1.3632 -1.3632 -1.0977 -1.0977 -0.3887 -0.3887 5.4477 5.4477 7.1119 7.1119 7.9326 7.9326 8.2363 8.2363 k = 0.0000 0.0000 0.0000 ( 5953 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6192 -20.6192 -20.5950 -20.5950 -20.5880 -20.5880 -15.7144 -15.7144 -15.5795 -15.5795 -3.7992 -3.7992 -3.1298 -3.1298 -2.4746 -2.4746 -1.9256 -1.9256 -1.4207 -1.4207 -1.3632 -1.3632 -1.0977 -1.0977 -0.3887 -0.3887 5.4477 5.4477 7.1119 7.1119 7.9326 7.9326 8.2363 8.2363 k = 0.0000 0.0000 0.0115 ( 5961 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6193 -20.6193 -20.5950 -20.5950 -20.5881 -20.5881 -15.7142 -15.7142 -15.5795 -15.5795 -3.7988 -3.7988 -3.1304 -3.1304 -2.4747 -2.4747 -1.9277 -1.9277 -1.4204 -1.4204 -1.3610 -1.3610 -1.0979 -1.0979 -0.3891 -0.3891 5.4497 5.4497 7.1124 7.1124 7.9319 7.9319 8.2338 8.2338 k = 0.0000 0.0000 0.0230 ( 5951 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7969 -20.7969 -20.7857 -20.7857 -20.6325 -20.6325 -20.6193 -20.6193 -20.5950 -20.5950 -20.5881 -20.5881 -15.7138 -15.7138 -15.5797 -15.5797 -3.7975 -3.7975 -3.1323 -3.1323 -2.4748 -2.4748 -1.9339 -1.9339 -1.4198 -1.4198 -1.3542 -1.3542 -1.0987 -1.0987 -0.3902 -0.3902 5.4556 5.4556 7.1141 7.1141 7.9299 7.9299 8.2263 8.2263 k = 0.0000 0.0000 0.0345 ( 5949 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7968 -20.7968 -20.7858 -20.7858 -20.6324 -20.6324 -20.6194 -20.6194 -20.5949 -20.5949 -20.5881 -20.5881 -15.7131 -15.7131 -15.5800 -15.5800 -3.7953 -3.7953 -3.1355 -3.1355 -2.4749 -2.4749 -1.9439 -1.9439 -1.4186 -1.4186 -1.3434 -1.3434 -1.0999 -1.0999 -0.3920 -0.3920 5.4654 5.4654 7.1167 7.1167 7.9265 7.9265 8.2139 8.2139 k = 0.0000 0.0000 0.0459 ( 5959 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7968 -20.7968 -20.7860 -20.7860 -20.6324 -20.6324 -20.6195 -20.6195 -20.5949 -20.5949 -20.5882 -20.5882 -15.7122 -15.7122 -15.5804 -15.5804 -3.7923 -3.7923 -3.1399 -3.1399 -2.4752 -2.4752 -1.9572 -1.9572 -1.4171 -1.4171 -1.3289 -1.3289 -1.1017 -1.1017 -0.3946 -0.3946 5.4790 5.4790 7.1204 7.1204 7.9217 7.9217 8.1966 8.1966 k = 0.0000 0.0000 0.0574 ( 5957 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7967 -20.7967 -20.7861 -20.7861 -20.6324 -20.6324 -20.6197 -20.6197 -20.5948 -20.5948 -20.5883 -20.5883 -15.7109 -15.7109 -15.5809 -15.5809 -3.7884 -3.7884 -3.1454 -3.1454 -2.4755 -2.4755 -1.9733 -1.9733 -1.4151 -1.4151 -1.3113 -1.3113 -1.1040 -1.1040 -0.3980 -0.3980 5.4965 5.4965 7.1252 7.1252 7.9156 7.9156 8.1747 8.1747 k = 0.0000 0.0000 0.0689 ( 5961 PWs) bands (ev): -48.7458 -48.7458 -48.7451 -48.7451 -20.7967 -20.7967 -20.7862 -20.7862 -20.6324 -20.6324 -20.6198 -20.6198 -20.5948 -20.5948 -20.5884 -20.5884 -15.7095 -15.7095 -15.5816 -15.5816 -3.7837 -3.7837 -3.1521 -3.1521 -2.4759 -2.4759 -1.9916 -1.9916 -1.4127 -1.4127 -1.2910 -1.2910 -1.1067 -1.1067 -0.4020 -0.4020 5.5177 5.5177 7.1310 7.1310 7.9083 7.9083 8.1481 8.1481 k = 0.0000 0.0000 0.0804 ( 5979 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7968 -20.7968 -20.7865 -20.7865 -20.6324 -20.6324 -20.6201 -20.6201 -20.5947 -20.5947 -20.5885 -20.5885 -15.7077 -15.7077 -15.5823 -15.5823 -3.7781 -3.7781 -3.1599 -3.1599 -2.4763 -2.4763 -2.0117 -2.0117 -1.4098 -1.4098 -1.2686 -1.2686 -1.1099 -1.1099 -0.4068 -0.4068 5.5426 5.5426 7.1378 7.1378 7.8996 7.8996 8.1171 8.1171 k = 0.0000 0.0000 0.0919 ( 5985 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7967 -20.7967 -20.7867 -20.7867 -20.6323 -20.6323 -20.6204 -20.6204 -20.5947 -20.5947 -20.5886 -20.5886 -15.7057 -15.7057 -15.5832 -15.5832 -3.7718 -3.7718 -3.1688 -3.1688 -2.4768 -2.4768 -2.0332 -2.0332 -1.4066 -1.4066 -1.2444 -1.2444 -1.1135 -1.1135 -0.4123 -0.4123 5.5710 5.5710 7.1457 7.1457 7.8897 7.8897 8.0819 8.0819 k = 0.0000 0.0000 0.1034 ( 5989 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7967 -20.7967 -20.7869 -20.7869 -20.6323 -20.6323 -20.6206 -20.6206 -20.5947 -20.5947 -20.5887 -20.5887 -15.7035 -15.7035 -15.5843 -15.5843 -3.7646 -3.7646 -3.1786 -3.1786 -2.4773 -2.4773 -2.0555 -2.0555 -1.4029 -1.4029 -1.2190 -1.2190 -1.1176 -1.1176 -0.4186 -0.4186 5.6030 5.6030 7.1545 7.1545 7.8786 7.8786 8.0428 8.0428 k = 0.0000 0.0000 0.1148 ( 5985 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7966 -20.7966 -20.7871 -20.7871 -20.6322 -20.6322 -20.6209 -20.6209 -20.5946 -20.5946 -20.5888 -20.5888 -15.7011 -15.7011 -15.5854 -15.5854 -3.7566 -3.7566 -3.1894 -3.1894 -2.4777 -2.4777 -2.0785 -2.0785 -1.3988 -1.3988 -1.1926 -1.1926 -1.1220 -1.1220 -0.4255 -0.4255 5.6384 5.6384 7.1644 7.1644 7.8663 7.8663 7.9999 7.9999 k = 0.0000 0.0000 0.1263 ( 5981 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7965 -20.7965 -20.7873 -20.7873 -20.6321 -20.6321 -20.6212 -20.6212 -20.5945 -20.5945 -20.5889 -20.5889 -15.6985 -15.6985 -15.5867 -15.5867 -3.7479 -3.7479 -3.2010 -3.2010 -2.4782 -2.4782 -2.1018 -2.1018 -1.3944 -1.3944 -1.1656 -1.1656 -1.1268 -1.1268 -0.4332 -0.4332 5.6770 5.6770 7.1752 7.1752 7.8529 7.8529 7.9534 7.9534 k = 0.0000 0.0000 0.1378 ( 5973 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7964 -20.7964 -20.7875 -20.7875 -20.6320 -20.6320 -20.6215 -20.6215 -20.5944 -20.5944 -20.5890 -20.5890 -15.6956 -15.6956 -15.5881 -15.5881 -3.7384 -3.7384 -3.2135 -3.2135 -2.4786 -2.4786 -2.1252 -2.1252 -1.3895 -1.3895 -1.1397 -1.1397 -1.1303 -1.1303 -0.4416 -0.4416 5.7188 5.7188 7.1869 7.1869 7.8384 7.8384 7.9037 7.9037 k = 0.0000 0.0000 0.1493 ( 5979 PWs) bands (ev): -48.7458 -48.7458 -48.7452 -48.7452 -20.7964 -20.7964 -20.7878 -20.7878 -20.6319 -20.6319 -20.6218 -20.6218 -20.5943 -20.5943 -20.5891 -20.5891 -15.6926 -15.6926 -15.5897 -15.5897 -3.7282 -3.7282 -3.2266 -3.2266 -2.4789 -2.4789 -2.1486 -2.1486 -1.3843 -1.3843 -1.1389 -1.1389 -1.1087 -1.1087 -0.4507 -0.4507 5.7636 5.7636 7.1995 7.1995 7.8226 7.8226 7.8513 7.8513 k = 0.0000 0.0000 0.1608 ( 5985 PWs) bands (ev): -48.7458 -48.7458 -48.7453 -48.7453 -20.7963 -20.7963 -20.7881 -20.7881 -20.6318 -20.6318 -20.6222 -20.6222 -20.5942 -20.5942 -20.5892 -20.5892 -15.6895 -15.6895 -15.5914 -15.5914 -3.7172 -3.7172 -3.2405 -3.2405 -2.4791 -2.4791 -2.1716 -2.1716 -1.3787 -1.3787 -1.1447 -1.1447 -1.0808 -1.0808 -0.4605 -0.4605 5.8112 5.8112 7.2131 7.2131 7.7931 7.7931 7.8088 7.8088 k = 0.0000 0.0000 0.1723 ( 5981 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7962 -20.7962 -20.7884 -20.7884 -20.6317 -20.6317 -20.6225 -20.6225 -20.5941 -20.5941 -20.5893 -20.5893 -15.6861 -15.6861 -15.5932 -15.5932 -3.7057 -3.7057 -3.2549 -3.2549 -2.4791 -2.4791 -2.1943 -2.1943 -1.3728 -1.3728 -1.1511 -1.1511 -1.0526 -1.0526 -0.4711 -0.4711 5.8616 5.8616 7.2275 7.2275 7.7360 7.7360 7.7904 7.7904 k = 0.0000 0.0000 0.1837 ( 5973 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7960 -20.7960 -20.7887 -20.7887 -20.6315 -20.6315 -20.6229 -20.6229 -20.5940 -20.5940 -20.5895 -20.5895 -15.6827 -15.6827 -15.5952 -15.5952 -3.6934 -3.6934 -3.2699 -3.2699 -2.4789 -2.4789 -2.2164 -2.2164 -1.3666 -1.3666 -1.1578 -1.1578 -1.0244 -1.0244 -0.4823 -0.4823 5.9146 5.9146 7.2427 7.2427 7.6755 7.6755 7.7723 7.7723 k = 0.0000 0.0000 0.1952 ( 5961 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7959 -20.7959 -20.7890 -20.7890 -20.6313 -20.6313 -20.6233 -20.6233 -20.5938 -20.5938 -20.5896 -20.5896 -15.6791 -15.6791 -15.5973 -15.5973 -3.6806 -3.6806 -3.2854 -3.2854 -2.4783 -2.4783 -2.2379 -2.2379 -1.3600 -1.3600 -1.1649 -1.1649 -0.9963 -0.9963 -0.4943 -0.4943 5.9701 5.9701 7.2587 7.2587 7.6128 7.6128 7.7535 7.7535 k = 0.0000 0.0000 0.2067 ( 5957 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7957 -20.7957 -20.7893 -20.7893 -20.6311 -20.6311 -20.6237 -20.6237 -20.5937 -20.5937 -20.5898 -20.5898 -15.6754 -15.6754 -15.5996 -15.5996 -3.6671 -3.6671 -3.3014 -3.3014 -2.4774 -2.4774 -2.2587 -2.2587 -1.3532 -1.3532 -1.1722 -1.1722 -0.9685 -0.9685 -0.5070 -0.5070 6.0278 6.0278 7.2754 7.2754 7.5481 7.5481 7.7341 7.7341 k = 0.0000 0.0000 0.2182 ( 5969 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7955 -20.7955 -20.7897 -20.7897 -20.6310 -20.6310 -20.6241 -20.6241 -20.5935 -20.5935 -20.5900 -20.5900 -15.6717 -15.6717 -15.6020 -15.6020 -3.6532 -3.6532 -3.3177 -3.3177 -2.4760 -2.4760 -2.2787 -2.2787 -1.3461 -1.3461 -1.1798 -1.1798 -0.9411 -0.9411 -0.5204 -0.5204 6.0876 6.0876 7.2929 7.2929 7.4817 7.4817 7.7141 7.7141 k = 0.0000 0.0000 0.2297 ( 5963 PWs) bands (ev): -48.7457 -48.7457 -48.7453 -48.7453 -20.7953 -20.7953 -20.7901 -20.7901 -20.6308 -20.6308 -20.6245 -20.6245 -20.5934 -20.5934 -20.5901 -20.5901 -15.6679 -15.6679 -15.6046 -15.6046 -3.6387 -3.6387 -3.3343 -3.3343 -2.4742 -2.4742 -2.2978 -2.2978 -1.3387 -1.3387 -1.1876 -1.1876 -0.9140 -0.9140 -0.5346 -0.5346 6.1494 6.1494 7.3110 7.3110 7.4138 7.4138 7.6936 7.6936 k = 0.0000 0.0000 0.2412 ( 5963 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7952 -20.7952 -20.7904 -20.7904 -20.6306 -20.6306 -20.6250 -20.6250 -20.5932 -20.5932 -20.5903 -20.5903 -15.6640 -15.6640 -15.6072 -15.6072 -3.6237 -3.6237 -3.3513 -3.3513 -2.4718 -2.4718 -2.3161 -2.3161 -1.3311 -1.3311 -1.1957 -1.1957 -0.8874 -0.8874 -0.5495 -0.5495 6.2131 6.2131 7.3298 7.3298 7.3446 7.3446 7.6726 7.6726 k = 0.0000 0.0000 0.2526 ( 5977 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7950 -20.7950 -20.7908 -20.7908 -20.6304 -20.6304 -20.6254 -20.6254 -20.5931 -20.5931 -20.5905 -20.5905 -15.6601 -15.6601 -15.6101 -15.6101 -3.6083 -3.6083 -3.3684 -3.3684 -2.4688 -2.4688 -2.3333 -2.3333 -1.3232 -1.3232 -1.2039 -1.2039 -0.8613 -0.8613 -0.5652 -0.5652 6.2783 6.2783 7.2744 7.2744 7.3491 7.3491 7.6513 7.6513 k = 0.0000 0.0000 0.2641 ( 5977 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7948 -20.7948 -20.7911 -20.7911 -20.6301 -20.6301 -20.6258 -20.6258 -20.5929 -20.5929 -20.5907 -20.5907 -15.6562 -15.6562 -15.6130 -15.6130 -3.5925 -3.5925 -3.3858 -3.3858 -2.4651 -2.4651 -2.3496 -2.3496 -1.3152 -1.3152 -1.2122 -1.2122 -0.8358 -0.8358 -0.5816 -0.5816 6.3451 6.3451 7.2032 7.2032 7.3690 7.3690 7.6296 7.6296 k = 0.0000 0.0000 0.2756 ( 5995 PWs) bands (ev): -48.7456 -48.7456 -48.7454 -48.7454 -20.7946 -20.7946 -20.7915 -20.7915 -20.6299 -20.6299 -20.6263 -20.6263 -20.5928 -20.5928 -20.5909 -20.5909 -15.6523 -15.6523 -15.6161 -15.6161 -3.5763 -3.5763 -3.4033 -3.4033 -2.4606 -2.4606 -2.3648 -2.3648 -1.3070 -1.3070 -1.2208 -1.2208 -0.8108 -0.8108 -0.5988 -0.5988 6.4132 6.4132 7.1314 7.1314 7.3894 7.3894 7.6077 7.6077 k = 0.0000 0.0000 0.2871 ( 5998 PWs) bands (ev): -48.7456 -48.7456 -48.7455 -48.7455 -20.7944 -20.7944 -20.7919 -20.7919 -20.6296 -20.6296 -20.6267 -20.6267 -20.5926 -20.5926 -20.5911 -20.5911 -15.6484 -15.6484 -15.6193 -15.6193 -3.5598 -3.5598 -3.4209 -3.4209 -2.4553 -2.4553 -2.3790 -2.3790 -1.2987 -1.2987 -1.2294 -1.2294 -0.7865 -0.7865 -0.6167 -0.6167 6.4825 6.4825 7.0590 7.0590 7.4102 7.4102 7.5856 7.5856 k = 0.0000 0.0000 0.2986 ( 5994 PWs) bands (ev): -48.7456 -48.7456 -48.7455 -48.7455 -20.7941 -20.7941 -20.7922 -20.7922 -20.6293 -20.6293 -20.6271 -20.6271 -20.5924 -20.5924 -20.5913 -20.5913 -15.6445 -15.6445 -15.6226 -15.6226 -3.5430 -3.5430 -3.4385 -3.4385 -2.4492 -2.4492 -2.3921 -2.3921 -1.2902 -1.2902 -1.2380 -1.2380 -0.7628 -0.7628 -0.6353 -0.6353 6.5527 6.5527 6.9864 6.9864 7.4314 7.4314 7.5634 7.5634 k = 0.0000 0.0000 0.3101 ( 5998 PWs) bands (ev): -48.7456 -48.7456 -48.7455 -48.7455 -20.7938 -20.7938 -20.7926 -20.7926 -20.6289 -20.6289 -20.6275 -20.6275 -20.5922 -20.5922 -20.5915 -20.5915 -15.6407 -15.6407 -15.6261 -15.6261 -3.5259 -3.5259 -3.4561 -3.4561 -2.4422 -2.4422 -2.4042 -2.4042 -1.2816 -1.2816 -1.2468 -1.2468 -0.7398 -0.7398 -0.6548 -0.6548 6.6239 6.6239 6.9135 6.9135 7.4529 7.4529 7.5411 7.5411 k = 0.0000 0.0000 0.3215 ( 5998 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7935 -20.7935 -20.7929 -20.7929 -20.6286 -20.6286 -20.6279 -20.6279 -20.5921 -20.5921 -20.5917 -20.5917 -15.6369 -15.6369 -15.6296 -15.6296 -3.5087 -3.5087 -3.4737 -3.4737 -2.4342 -2.4342 -2.4152 -2.4152 -1.2730 -1.2730 -1.2555 -1.2555 -0.7174 -0.7174 -0.6749 -0.6749 6.6957 6.6957 6.8407 6.8407 7.4747 7.4747 7.5189 7.5189 k = 0.0000 0.0000 0.3330 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6332 -15.6332 -15.6332 -15.6332 -3.4913 -3.4913 -3.4913 -3.4913 -2.4252 -2.4252 -2.4252 -2.4252 -1.2643 -1.2643 -1.2643 -1.2643 -0.6958 -0.6958 -0.6958 -0.6958 6.7680 6.7680 6.7680 6.7680 7.4967 7.4967 7.4967 7.4967 k = 0.0000 0.0000 0.3330 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6332 -15.6332 -15.6332 -15.6332 -3.4913 -3.4913 -3.4913 -3.4913 -2.4252 -2.4252 -2.4252 -2.4252 -1.2643 -1.2643 -1.2643 -1.2643 -0.6958 -0.6958 -0.6958 -0.6958 6.7680 6.7680 6.7680 6.7680 7.4967 7.4967 7.4967 7.4967 k = 0.0114-0.0000 0.3330 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6331 -15.6331 -15.6331 -15.6331 -3.4911 -3.4911 -3.4911 -3.4911 -2.4251 -2.4251 -2.4251 -2.4251 -1.2652 -1.2652 -1.2652 -1.2652 -0.6956 -0.6956 -0.6956 -0.6956 6.7658 6.7658 6.7659 6.7659 7.4971 7.4971 7.4971 7.4971 k = 0.0227-0.0000 0.3330 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6282 -20.6282 -20.6282 -20.6282 -20.5920 -20.5920 -20.5919 -20.5919 -15.6328 -15.6328 -15.6328 -15.6328 -3.4905 -3.4905 -3.4905 -3.4905 -2.4248 -2.4248 -2.4247 -2.4247 -1.2680 -1.2680 -1.2679 -1.2679 -0.6951 -0.6951 -0.6950 -0.6950 6.7595 6.7595 6.7596 6.7596 7.4981 7.4981 7.4983 7.4983 k = 0.0341-0.0000 0.3330 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7933 -20.7933 -20.7932 -20.7932 -20.6282 -20.6282 -20.6282 -20.6282 -20.5922 -20.5922 -20.5920 -20.5920 -15.6323 -15.6323 -15.6323 -15.6323 -3.4896 -3.4896 -3.4896 -3.4896 -2.4243 -2.4243 -2.4242 -2.4242 -1.2725 -1.2725 -1.2724 -1.2724 -0.6942 -0.6942 -0.6940 -0.6940 6.7490 6.7490 6.7491 6.7491 7.5000 7.5000 7.5002 7.5002 k = 0.0455-0.0000 0.3330 ( 5990 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7933 -20.7933 -20.7932 -20.7932 -20.6282 -20.6282 -20.6282 -20.6282 -20.5923 -20.5923 -20.5922 -20.5922 -15.6316 -15.6316 -15.6316 -15.6316 -3.4883 -3.4883 -3.4882 -3.4882 -2.4236 -2.4236 -2.4234 -2.4234 -1.2788 -1.2788 -1.2787 -1.2787 -0.6929 -0.6929 -0.6927 -0.6927 6.7344 6.7344 6.7346 6.7346 7.5026 7.5026 7.5029 7.5029 k = 0.0568-0.0000 0.3330 ( 5978 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7934 -20.7934 -20.7932 -20.7932 -20.6281 -20.6281 -20.6281 -20.6281 -20.5926 -20.5926 -20.5923 -20.5923 -15.6307 -15.6307 -15.6307 -15.6307 -3.4866 -3.4866 -3.4865 -3.4865 -2.4227 -2.4227 -2.4225 -2.4225 -1.2866 -1.2866 -1.2865 -1.2865 -0.6913 -0.6913 -0.6911 -0.6911 6.7159 6.7159 6.7161 6.7161 7.5060 7.5060 7.5063 7.5063 k = 0.0682-0.0000 0.3330 ( 5978 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7934 -20.7934 -20.7932 -20.7932 -20.6281 -20.6281 -20.6281 -20.6281 -20.5929 -20.5929 -20.5926 -20.5926 -15.6296 -15.6296 -15.6296 -15.6296 -3.4845 -3.4845 -3.4845 -3.4845 -2.4217 -2.4217 -2.4215 -2.4215 -1.2960 -1.2960 -1.2958 -1.2958 -0.6895 -0.6895 -0.6893 -0.6893 6.6936 6.6936 6.6938 6.6938 7.5102 7.5102 7.5106 7.5106 k = 0.0795-0.0000 0.3330 ( 5980 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7935 -20.7935 -20.7933 -20.7933 -20.6281 -20.6281 -20.6281 -20.6281 -20.5932 -20.5932 -20.5929 -20.5929 -15.6284 -15.6284 -15.6283 -15.6283 -3.4822 -3.4822 -3.4821 -3.4821 -2.4206 -2.4206 -2.4204 -2.4204 -1.3067 -1.3067 -1.3065 -1.3065 -0.6876 -0.6876 -0.6873 -0.6873 6.6677 6.6677 6.6680 6.6680 7.5153 7.5153 7.5157 7.5157 k = 0.0909-0.0000 0.3330 ( 5970 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7936 -20.7936 -20.7933 -20.7933 -20.6280 -20.6280 -20.6280 -20.6280 -20.5936 -20.5936 -20.5933 -20.5933 -15.6269 -15.6269 -15.6269 -15.6269 -3.4794 -3.4794 -3.4794 -3.4794 -2.4194 -2.4194 -2.4192 -2.4192 -1.3185 -1.3185 -1.3183 -1.3183 -0.6855 -0.6855 -0.6851 -0.6851 6.6385 6.6385 6.6388 6.6388 7.5211 7.5211 7.5216 7.5216 k = 0.1023-0.0000 0.3330 ( 5974 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7937 -20.7937 -20.7934 -20.7934 -20.6280 -20.6280 -20.6280 -20.6280 -20.5940 -20.5940 -20.5937 -20.5937 -15.6253 -15.6253 -15.6252 -15.6252 -3.4764 -3.4764 -3.4763 -3.4763 -2.4183 -2.4183 -2.4180 -2.4180 -1.3314 -1.3314 -1.3312 -1.3312 -0.6833 -0.6833 -0.6829 -0.6829 6.6062 6.6062 6.6064 6.6064 7.5279 7.5279 7.5284 7.5284 k = 0.1136-0.0000 0.3330 ( 5978 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7938 -20.7938 -20.7935 -20.7935 -20.6279 -20.6279 -20.6279 -20.6279 -20.5945 -20.5945 -20.5941 -20.5941 -15.6235 -15.6235 -15.6234 -15.6234 -3.4730 -3.4730 -3.4730 -3.4730 -2.4173 -2.4173 -2.4170 -2.4170 -1.3451 -1.3451 -1.3449 -1.3449 -0.6810 -0.6810 -0.6807 -0.6807 6.5710 6.5710 6.5713 6.5713 7.5354 7.5354 7.5359 7.5359 k = 0.1250-0.0000 0.3330 ( 5968 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7939 -20.7939 -20.7936 -20.7936 -20.6279 -20.6279 -20.6279 -20.6279 -20.5950 -20.5950 -20.5945 -20.5945 -15.6215 -15.6215 -15.6215 -15.6215 -3.4694 -3.4694 -3.4693 -3.4693 -2.4163 -2.4163 -2.4160 -2.4160 -1.3593 -1.3593 -1.3592 -1.3592 -0.6788 -0.6788 -0.6785 -0.6785 6.5333 6.5333 6.5335 6.5335 7.5437 7.5437 7.5442 7.5442 k = 0.1364-0.0000 0.3330 ( 5984 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7941 -20.7941 -20.7937 -20.7937 -20.6279 -20.6279 -20.6278 -20.6278 -20.5955 -20.5955 -20.5951 -20.5951 -15.6195 -15.6195 -15.6194 -15.6194 -3.4654 -3.4654 -3.4653 -3.4653 -2.4156 -2.4156 -2.4153 -2.4153 -1.3741 -1.3741 -1.3739 -1.3739 -0.6767 -0.6767 -0.6764 -0.6764 6.4933 6.4933 6.4935 6.4935 7.5527 7.5527 7.5533 7.5533 k = 0.1477-0.0000 0.3330 ( 5996 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7943 -20.7943 -20.7939 -20.7939 -20.6278 -20.6278 -20.6278 -20.6278 -20.5962 -20.5962 -20.5957 -20.5957 -15.6172 -15.6172 -15.6172 -15.6172 -3.4612 -3.4612 -3.4611 -3.4611 -2.4152 -2.4152 -2.4149 -2.4149 -1.3891 -1.3891 -1.3889 -1.3889 -0.6747 -0.6747 -0.6744 -0.6744 6.4512 6.4512 6.4515 6.4515 7.5624 7.5624 7.5630 7.5630 k = 0.1591-0.0000 0.3330 ( 5998 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7944 -20.7944 -20.7940 -20.7940 -20.6278 -20.6278 -20.6278 -20.6278 -20.5967 -20.5967 -20.5962 -20.5962 -15.6149 -15.6149 -15.6148 -15.6148 -3.4568 -3.4568 -3.4567 -3.4567 -2.4152 -2.4152 -2.4148 -2.4148 -1.4040 -1.4040 -1.4039 -1.4039 -0.6728 -0.6728 -0.6725 -0.6725 6.4075 6.4075 6.4078 6.4078 7.5728 7.5728 7.5734 7.5734 k = 0.1705-0.0000 0.3330 ( 5994 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7946 -20.7946 -20.7941 -20.7941 -20.6277 -20.6277 -20.6277 -20.6277 -20.5974 -20.5974 -20.5968 -20.5968 -15.6124 -15.6124 -15.6124 -15.6124 -3.4521 -3.4521 -3.4520 -3.4520 -2.4155 -2.4155 -2.4151 -2.4151 -1.4189 -1.4189 -1.4188 -1.4188 -0.6711 -0.6711 -0.6708 -0.6708 6.3624 6.3624 6.3626 6.3626 7.5838 7.5838 7.5844 7.5844 k = 0.1818-0.0000 0.3330 ( 5994 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7947 -20.7947 -20.7942 -20.7942 -20.6277 -20.6277 -20.6277 -20.6277 -20.5980 -20.5980 -20.5974 -20.5974 -15.6099 -15.6099 -15.6098 -15.6098 -3.4472 -3.4472 -3.4472 -3.4472 -2.4164 -2.4164 -2.4160 -2.4160 -1.4334 -1.4334 -1.4333 -1.4333 -0.6696 -0.6696 -0.6693 -0.6693 6.3162 6.3162 6.3163 6.3163 7.5953 7.5953 7.5959 7.5959 k = 0.1932-0.0000 0.3330 ( 6000 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7949 -20.7949 -20.7944 -20.7944 -20.6276 -20.6276 -20.6276 -20.6276 -20.5986 -20.5986 -20.5981 -20.5981 -15.6072 -15.6072 -15.6072 -15.6072 -3.4422 -3.4422 -3.4421 -3.4421 -2.4179 -2.4179 -2.4175 -2.4175 -1.4474 -1.4474 -1.4473 -1.4473 -0.6683 -0.6683 -0.6680 -0.6680 6.2691 6.2691 6.2692 6.2692 7.6072 7.6072 7.6079 7.6079 k = 0.2045-0.0000 0.3330 ( 6012 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7951 -20.7951 -20.7946 -20.7946 -20.6276 -20.6276 -20.6276 -20.6276 -20.5993 -20.5993 -20.5987 -20.5987 -15.6045 -15.6045 -15.6044 -15.6044 -3.4370 -3.4370 -3.4369 -3.4369 -2.4200 -2.4200 -2.4196 -2.4196 -1.4607 -1.4607 -1.4607 -1.4607 -0.6672 -0.6672 -0.6670 -0.6670 6.2214 6.2214 6.2215 6.2215 7.6196 7.6196 7.6202 7.6202 k = 0.2159-0.0000 0.3330 ( 6012 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7953 -20.7953 -20.7948 -20.7948 -20.6276 -20.6276 -20.6276 -20.6276 -20.6000 -20.6000 -20.5994 -20.5994 -15.6017 -15.6017 -15.6016 -15.6016 -3.4317 -3.4317 -3.4316 -3.4316 -2.4228 -2.4228 -2.4224 -2.4224 -1.4732 -1.4732 -1.4732 -1.4732 -0.6664 -0.6664 -0.6662 -0.6662 6.1733 6.1733 6.1734 6.1734 7.6322 7.6322 7.6329 7.6329 k = 0.2273-0.0000 0.3330 ( 6026 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7955 -20.7955 -20.7950 -20.7950 -20.6276 -20.6276 -20.6276 -20.6276 -20.6007 -20.6007 -20.6001 -20.6001 -15.5989 -15.5989 -15.5988 -15.5988 -3.4262 -3.4262 -3.4262 -3.4262 -2.4264 -2.4264 -2.4259 -2.4259 -1.4848 -1.4848 -1.4847 -1.4847 -0.6658 -0.6658 -0.6656 -0.6656 6.1252 6.1252 6.1253 6.1253 7.6452 7.6452 7.6458 7.6458 k = 0.2386-0.0000 0.3330 ( 6014 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7957 -20.7957 -20.7951 -20.7951 -20.6275 -20.6275 -20.6275 -20.6275 -20.6013 -20.6013 -20.6007 -20.6007 -15.5960 -15.5960 -15.5959 -15.5959 -3.4207 -3.4207 -3.4206 -3.4206 -2.4307 -2.4307 -2.4302 -2.4302 -1.4953 -1.4953 -1.4952 -1.4952 -0.6655 -0.6655 -0.6653 -0.6653 6.0773 6.0773 6.0773 6.0773 7.6583 7.6583 7.6590 7.6590 k = 0.2500-0.0000 0.3330 ( 6012 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7958 -20.7958 -20.7953 -20.7953 -20.6275 -20.6275 -20.6275 -20.6275 -20.6019 -20.6019 -20.6013 -20.6013 -15.5931 -15.5931 -15.5931 -15.5931 -3.4152 -3.4152 -3.4151 -3.4151 -2.4357 -2.4357 -2.4352 -2.4352 -1.5046 -1.5046 -1.5045 -1.5045 -0.6654 -0.6654 -0.6652 -0.6652 6.0297 6.0297 6.0297 6.0297 7.6716 7.6716 7.6722 7.6722 k = 0.2614-0.0000 0.3330 ( 5996 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7960 -20.7960 -20.7954 -20.7954 -20.6274 -20.6274 -20.6274 -20.6274 -20.6024 -20.6024 -20.6019 -20.6019 -15.5903 -15.5903 -15.5902 -15.5902 -3.4096 -3.4096 -3.4095 -3.4095 -2.4415 -2.4415 -2.4410 -2.4410 -1.5128 -1.5128 -1.5127 -1.5127 -0.6656 -0.6656 -0.6654 -0.6654 5.9827 5.9827 5.9827 5.9827 7.6849 7.6849 7.6856 7.6856 k = 0.2727-0.0000 0.3330 ( 5992 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7962 -20.7962 -20.7956 -20.7956 -20.6274 -20.6274 -20.6274 -20.6274 -20.6030 -20.6030 -20.6024 -20.6024 -15.5874 -15.5874 -15.5873 -15.5873 -3.4040 -3.4040 -3.4040 -3.4040 -2.4480 -2.4480 -2.4476 -2.4476 -1.5198 -1.5198 -1.5196 -1.5196 -0.6659 -0.6659 -0.6658 -0.6658 5.9365 5.9365 5.9365 5.9365 7.6983 7.6983 7.6989 7.6989 k = 0.2841-0.0000 0.3330 ( 5992 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7963 -20.7963 -20.7958 -20.7958 -20.6274 -20.6274 -20.6274 -20.6274 -20.6036 -20.6036 -20.6030 -20.6030 -15.5845 -15.5845 -15.5845 -15.5845 -3.3985 -3.3985 -3.3984 -3.3984 -2.4552 -2.4552 -2.4548 -2.4548 -1.5255 -1.5255 -1.5254 -1.5254 -0.6666 -0.6666 -0.6665 -0.6665 5.8912 5.8912 5.8913 5.8913 7.7115 7.7115 7.7121 7.7121 k = 0.2955-0.0000 0.3330 ( 5984 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7965 -20.7965 -20.7960 -20.7960 -20.6274 -20.6274 -20.6274 -20.6274 -20.6041 -20.6041 -20.6036 -20.6036 -15.5817 -15.5817 -15.5816 -15.5816 -3.3930 -3.3930 -3.3930 -3.3930 -2.4630 -2.4630 -2.4626 -2.4626 -1.5301 -1.5301 -1.5299 -1.5299 -0.6674 -0.6674 -0.6673 -0.6673 5.8472 5.8472 5.8473 5.8473 7.7246 7.7246 7.7252 7.7252 k = 0.3068-0.0000 0.3330 ( 5984 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7967 -20.7967 -20.7962 -20.7962 -20.6275 -20.6275 -20.6275 -20.6275 -20.6047 -20.6047 -20.6041 -20.6041 -15.5790 -15.5790 -15.5789 -15.5789 -3.3877 -3.3877 -3.3876 -3.3876 -2.4713 -2.4713 -2.4709 -2.4709 -1.5335 -1.5335 -1.5334 -1.5334 -0.6684 -0.6684 -0.6684 -0.6684 5.8046 5.8046 5.8047 5.8047 7.7375 7.7375 7.7381 7.7381 k = 0.3182-0.0000 0.3330 ( 5986 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7969 -20.7969 -20.7964 -20.7964 -20.6275 -20.6275 -20.6275 -20.6275 -20.6052 -20.6052 -20.6046 -20.6046 -15.5763 -15.5763 -15.5762 -15.5762 -3.3824 -3.3824 -3.3824 -3.3824 -2.4800 -2.4800 -2.4795 -2.4795 -1.5359 -1.5359 -1.5357 -1.5357 -0.6696 -0.6696 -0.6696 -0.6696 5.7635 5.7635 5.7636 5.7636 7.7501 7.7501 7.7506 7.7506 k = 0.3295-0.0000 0.3330 ( 5990 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7971 -20.7971 -20.7966 -20.7966 -20.6276 -20.6276 -20.6276 -20.6276 -20.6056 -20.6056 -20.6051 -20.6051 -15.5737 -15.5737 -15.5736 -15.5736 -3.3773 -3.3773 -3.3773 -3.3773 -2.4889 -2.4889 -2.4885 -2.4885 -1.5373 -1.5373 -1.5371 -1.5371 -0.6710 -0.6710 -0.6710 -0.6710 5.7240 5.7240 5.7241 5.7241 7.7623 7.7623 7.7629 7.7629 k = 0.3409-0.0000 0.3330 ( 5990 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7973 -20.7973 -20.7968 -20.7968 -20.6276 -20.6276 -20.6276 -20.6276 -20.6061 -20.6061 -20.6056 -20.6056 -15.5712 -15.5712 -15.5711 -15.5711 -3.3724 -3.3724 -3.3724 -3.3724 -2.4980 -2.4980 -2.4977 -2.4977 -1.5378 -1.5378 -1.5376 -1.5376 -0.6725 -0.6725 -0.6725 -0.6725 5.6865 5.6865 5.6866 5.6866 7.7742 7.7742 7.7747 7.7747 k = 0.3523-0.0000 0.3330 ( 5990 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7974 -20.7974 -20.7970 -20.7970 -20.6277 -20.6277 -20.6277 -20.6277 -20.6065 -20.6065 -20.6060 -20.6060 -15.5688 -15.5688 -15.5687 -15.5687 -3.3677 -3.3677 -3.3677 -3.3677 -2.5072 -2.5072 -2.5068 -2.5068 -1.5376 -1.5376 -1.5374 -1.5374 -0.6741 -0.6741 -0.6741 -0.6741 5.6509 5.6509 5.6510 5.6510 7.7855 7.7855 7.7860 7.7860 k = 0.3636-0.0000 0.3330 ( 5982 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7975 -20.7975 -20.7971 -20.7971 -20.6277 -20.6277 -20.6277 -20.6277 -20.6068 -20.6068 -20.6064 -20.6064 -15.5665 -15.5665 -15.5665 -15.5665 -3.3632 -3.3632 -3.3632 -3.3632 -2.5163 -2.5163 -2.5159 -2.5159 -1.5367 -1.5367 -1.5365 -1.5365 -0.6757 -0.6757 -0.6757 -0.6757 5.6174 5.6174 5.6175 5.6175 7.7964 7.7964 7.7968 7.7968 k = 0.3750-0.0000 0.3330 ( 5980 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7977 -20.7977 -20.7973 -20.7973 -20.6278 -20.6278 -20.6278 -20.6278 -20.6072 -20.6072 -20.6068 -20.6068 -15.5644 -15.5644 -15.5643 -15.5643 -3.3590 -3.3590 -3.3590 -3.3590 -2.5251 -2.5251 -2.5248 -2.5248 -1.5353 -1.5353 -1.5351 -1.5351 -0.6774 -0.6774 -0.6774 -0.6774 5.5861 5.5861 5.5863 5.5863 7.8066 7.8066 7.8070 7.8070 k = 0.3864-0.0000 0.3330 ( 5976 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7978 -20.7978 -20.7975 -20.7975 -20.6279 -20.6279 -20.6278 -20.6278 -20.6074 -20.6074 -20.6071 -20.6071 -15.5624 -15.5624 -15.5624 -15.5624 -3.3551 -3.3551 -3.3550 -3.3550 -2.5336 -2.5336 -2.5334 -2.5334 -1.5335 -1.5335 -1.5334 -1.5334 -0.6792 -0.6792 -0.6791 -0.6791 5.5572 5.5572 5.5573 5.5573 7.8161 7.8161 7.8165 7.8165 k = 0.3977-0.0000 0.3330 ( 5970 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7979 -20.7979 -20.7976 -20.7976 -20.6279 -20.6279 -20.6279 -20.6279 -20.6077 -20.6077 -20.6074 -20.6074 -15.5606 -15.5606 -15.5605 -15.5605 -3.3514 -3.3514 -3.3514 -3.3514 -2.5417 -2.5417 -2.5415 -2.5415 -1.5315 -1.5315 -1.5313 -1.5313 -0.6808 -0.6808 -0.6808 -0.6808 5.5308 5.5308 5.5309 5.5309 7.8250 7.8250 7.8253 7.8253 k = 0.4091-0.0000 0.3330 ( 5974 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7980 -20.7980 -20.7977 -20.7977 -20.6280 -20.6280 -20.6280 -20.6280 -20.6079 -20.6079 -20.6076 -20.6076 -15.5589 -15.5589 -15.5589 -15.5589 -3.3481 -3.3481 -3.3481 -3.3481 -2.5492 -2.5492 -2.5490 -2.5490 -1.5293 -1.5293 -1.5292 -1.5292 -0.6825 -0.6825 -0.6824 -0.6824 5.5068 5.5068 5.5069 5.5069 7.8331 7.8331 7.8334 7.8334 k = 0.4205-0.0000 0.3330 ( 5982 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7982 -20.7982 -20.7979 -20.7979 -20.6281 -20.6281 -20.6281 -20.6281 -20.6082 -20.6082 -20.6079 -20.6079 -15.5574 -15.5574 -15.5574 -15.5574 -3.3451 -3.3451 -3.3451 -3.3451 -2.5561 -2.5561 -2.5559 -2.5559 -1.5271 -1.5271 -1.5270 -1.5270 -0.6840 -0.6840 -0.6840 -0.6840 5.4855 5.4855 5.4856 5.4856 7.8403 7.8403 7.8406 7.8406 k = 0.4318-0.0000 0.3330 ( 5982 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7982 -20.7982 -20.7980 -20.7980 -20.6281 -20.6281 -20.6281 -20.6281 -20.6083 -20.6083 -20.6081 -20.6081 -15.5561 -15.5561 -15.5561 -15.5561 -3.3425 -3.3425 -3.3425 -3.3425 -2.5622 -2.5622 -2.5621 -2.5621 -1.5249 -1.5249 -1.5248 -1.5248 -0.6854 -0.6854 -0.6854 -0.6854 5.4669 5.4669 5.4670 5.4670 7.8467 7.8467 7.8469 7.8469 k = 0.4432-0.0000 0.3330 ( 5988 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7983 -20.7983 -20.7981 -20.7981 -20.6282 -20.6282 -20.6282 -20.6282 -20.6085 -20.6085 -20.6083 -20.6083 -15.5550 -15.5550 -15.5550 -15.5550 -3.3403 -3.3403 -3.3403 -3.3403 -2.5676 -2.5676 -2.5674 -2.5674 -1.5230 -1.5230 -1.5229 -1.5229 -0.6866 -0.6866 -0.6866 -0.6866 5.4510 5.4510 5.4511 5.4511 7.8522 7.8522 7.8524 7.8524 k = 0.4545-0.0000 0.3330 ( 5992 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7984 -20.7984 -20.7982 -20.7982 -20.6283 -20.6283 -20.6283 -20.6283 -20.6086 -20.6086 -20.6085 -20.6085 -15.5541 -15.5541 -15.5540 -15.5540 -3.3384 -3.3384 -3.3384 -3.3384 -2.5720 -2.5720 -2.5719 -2.5719 -1.5212 -1.5212 -1.5211 -1.5211 -0.6877 -0.6877 -0.6877 -0.6877 5.4380 5.4380 5.4381 5.4381 7.8567 7.8567 7.8569 7.8569 k = 0.4659-0.0000 0.3330 ( 6000 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7985 -20.7985 -20.7983 -20.7983 -20.6283 -20.6283 -20.6283 -20.6283 -20.6087 -20.6087 -20.6086 -20.6086 -15.5533 -15.5533 -15.5533 -15.5533 -3.3370 -3.3370 -3.3370 -3.3370 -2.5755 -2.5755 -2.5755 -2.5755 -1.5198 -1.5198 -1.5197 -1.5197 -0.6885 -0.6885 -0.6885 -0.6885 5.4278 5.4278 5.4278 5.4278 7.8602 7.8602 7.8604 7.8604 k = 0.4773-0.0000 0.3330 ( 6004 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7985 -20.7985 -20.7984 -20.7984 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6087 -20.6087 -15.5528 -15.5528 -15.5528 -15.5528 -3.3359 -3.3359 -3.3359 -3.3359 -2.5781 -2.5781 -2.5780 -2.5780 -1.5187 -1.5187 -1.5187 -1.5187 -0.6891 -0.6891 -0.6891 -0.6891 5.4205 5.4205 5.4205 5.4205 7.8628 7.8628 7.8629 7.8629 k = 0.4886-0.0000 0.3330 ( 6008 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5525 -15.5525 -15.5525 -15.5525 -3.3353 -3.3353 -3.3353 -3.3353 -2.5796 -2.5796 -2.5796 -2.5796 -1.5181 -1.5181 -1.5180 -1.5180 -0.6895 -0.6895 -0.6895 -0.6895 5.4161 5.4161 5.4161 5.4161 7.8644 7.8644 7.8644 7.8644 k = 0.5000-0.0000 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3351 -3.3351 -3.3351 -3.3351 -2.5801 -2.5801 -2.5801 -2.5801 -1.5178 -1.5178 -1.5178 -1.5178 -0.6896 -0.6896 -0.6896 -0.6896 5.4147 5.4147 5.4147 5.4147 7.8649 7.8649 7.8649 7.8649 k = 0.5000-0.0000 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3351 -3.3351 -3.3351 -3.3351 -2.5801 -2.5801 -2.5801 -2.5801 -1.5178 -1.5178 -1.5178 -1.5178 -0.6896 -0.6896 -0.6896 -0.6896 5.4147 5.4147 5.4147 5.4147 7.8649 7.8649 7.8649 7.8649 k = 0.5000 0.0113 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3358 -3.3358 -3.3358 -3.3358 -2.5795 -2.5795 -2.5795 -2.5795 -1.5183 -1.5183 -1.5183 -1.5183 -0.6884 -0.6884 -0.6884 -0.6884 5.4142 5.4142 5.4142 5.4142 7.8615 7.8615 7.8615 7.8615 k = 0.5000 0.0227 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3379 -3.3379 -3.3379 -3.3379 -2.5778 -2.5778 -2.5778 -2.5778 -1.5197 -1.5197 -1.5197 -1.5197 -0.6848 -0.6848 -0.6848 -0.6848 5.4127 5.4127 5.4127 5.4127 7.8515 7.8515 7.8515 7.8515 k = 0.5000 0.0340 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3414 -3.3414 -3.3414 -3.3414 -2.5749 -2.5749 -2.5749 -2.5749 -1.5220 -1.5220 -1.5220 -1.5220 -0.6788 -0.6788 -0.6788 -0.6788 5.4103 5.4103 5.4103 5.4103 7.8350 7.8350 7.8350 7.8350 k = 0.5000 0.0454 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6283 -20.6283 -20.6283 -20.6283 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3462 -3.3462 -3.3462 -3.3462 -2.5710 -2.5710 -2.5710 -2.5710 -1.5253 -1.5253 -1.5253 -1.5253 -0.6705 -0.6705 -0.6705 -0.6705 5.4069 5.4069 5.4069 5.4069 7.8126 7.8126 7.8126 7.8126 k = 0.5000 0.0567 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6283 -20.6283 -20.6283 -20.6283 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3523 -3.3523 -3.3523 -3.3523 -2.5659 -2.5659 -2.5659 -2.5659 -1.5294 -1.5294 -1.5294 -1.5294 -0.6600 -0.6600 -0.6600 -0.6600 5.4027 5.4027 5.4027 5.4027 7.7847 7.7847 7.7847 7.7847 k = 0.5000 0.0680 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6283 -20.6283 -20.6283 -20.6283 -20.6089 -20.6089 -20.6089 -20.6089 -15.5524 -15.5524 -15.5524 -15.5524 -3.3596 -3.3596 -3.3596 -3.3596 -2.5596 -2.5596 -2.5596 -2.5596 -1.5345 -1.5345 -1.5345 -1.5345 -0.6473 -0.6473 -0.6473 -0.6473 5.3977 5.3977 5.3977 5.3977 7.7519 7.7519 7.7519 7.7519 k = 0.5000 0.0794 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6283 -20.6283 -20.6283 -20.6283 -20.6089 -20.6089 -20.6089 -20.6089 -15.5525 -15.5525 -15.5525 -15.5525 -3.3679 -3.3679 -3.3679 -3.3679 -2.5523 -2.5523 -2.5523 -2.5523 -1.5405 -1.5405 -1.5405 -1.5405 -0.6328 -0.6328 -0.6328 -0.6328 5.3919 5.3919 5.3919 5.3919 7.7150 7.7150 7.7150 7.7150 k = 0.5000 0.0907 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6282 -20.6282 -20.6282 -20.6282 -20.6090 -20.6090 -20.6090 -20.6090 -15.5525 -15.5525 -15.5525 -15.5525 -3.3773 -3.3773 -3.3773 -3.3773 -2.5440 -2.5440 -2.5440 -2.5440 -1.5474 -1.5474 -1.5474 -1.5474 -0.6164 -0.6164 -0.6164 -0.6164 5.3855 5.3855 5.3855 5.3855 7.6745 7.6745 7.6745 7.6745 k = 0.5000 0.1021 0.3330 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6282 -20.6282 -20.6282 -20.6282 -20.6091 -20.6091 -20.6091 -20.6091 -15.5525 -15.5525 -15.5525 -15.5525 -3.3875 -3.3875 -3.3875 -3.3875 -2.5346 -2.5346 -2.5346 -2.5346 -1.5552 -1.5552 -1.5552 -1.5552 -0.5984 -0.5984 -0.5984 -0.5984 5.3786 5.3786 5.3786 5.3786 7.6311 7.6311 7.6311 7.6311 k = 0.5000 0.1134 0.3330 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6281 -20.6281 -20.6281 -20.6281 -20.6091 -20.6091 -20.6091 -20.6091 -15.5526 -15.5526 -15.5526 -15.5526 -3.3985 -3.3985 -3.3985 -3.3985 -2.5242 -2.5242 -2.5242 -2.5242 -1.5638 -1.5638 -1.5638 -1.5638 -0.5789 -0.5789 -0.5789 -0.5789 5.3712 5.3712 5.3712 5.3712 7.5855 7.5855 7.5855 7.5855 k = 0.5000 0.1247 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6280 -20.6280 -20.6280 -20.6280 -20.6092 -20.6092 -20.6092 -20.6092 -15.5526 -15.5526 -15.5526 -15.5526 -3.4101 -3.4101 -3.4101 -3.4101 -2.5128 -2.5128 -2.5128 -2.5128 -1.5733 -1.5733 -1.5733 -1.5733 -0.5581 -0.5581 -0.5581 -0.5581 5.3634 5.3634 5.3634 5.3634 7.5382 7.5382 7.5382 7.5382 k = 0.5000 0.1361 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6280 -20.6280 -20.6280 -20.6280 -20.6092 -20.6092 -20.6092 -20.6092 -15.5526 -15.5526 -15.5526 -15.5526 -3.4222 -3.4222 -3.4222 -3.4222 -2.5005 -2.5005 -2.5005 -2.5005 -1.5836 -1.5836 -1.5836 -1.5836 -0.5364 -0.5364 -0.5364 -0.5364 5.3554 5.3554 5.3554 5.3554 7.4897 7.4897 7.4897 7.4897 k = 0.5000 0.1474 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6279 -20.6279 -20.6279 -20.6279 -20.6093 -20.6093 -20.6093 -20.6093 -15.5527 -15.5527 -15.5527 -15.5527 -3.4347 -3.4347 -3.4347 -3.4347 -2.4874 -2.4874 -2.4874 -2.4874 -1.5947 -1.5947 -1.5947 -1.5947 -0.5137 -0.5137 -0.5137 -0.5137 5.3473 5.3473 5.3473 5.3473 7.4406 7.4406 7.4406 7.4406 k = 0.5000 0.1588 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6279 -20.6279 -20.6279 -20.6279 -20.6094 -20.6094 -20.6094 -20.6094 -15.5527 -15.5527 -15.5527 -15.5527 -3.4474 -3.4474 -3.4474 -3.4474 -2.4733 -2.4733 -2.4733 -2.4733 -1.6066 -1.6066 -1.6066 -1.6066 -0.4904 -0.4904 -0.4904 -0.4904 5.3390 5.3390 5.3390 5.3390 7.3913 7.3913 7.3913 7.3913 k = 0.5000 0.1701 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6278 -20.6278 -20.6278 -20.6278 -20.6095 -20.6095 -20.6095 -20.6095 -15.5528 -15.5528 -15.5528 -15.5528 -3.4602 -3.4602 -3.4602 -3.4602 -2.4586 -2.4586 -2.4586 -2.4586 -1.6193 -1.6193 -1.6193 -1.6193 -0.4668 -0.4668 -0.4668 -0.4668 5.3309 5.3309 5.3309 5.3309 7.3423 7.3423 7.3423 7.3423 k = 0.5000 0.1814 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6278 -20.6278 -20.6278 -20.6278 -20.6095 -20.6095 -20.6095 -20.6095 -15.5528 -15.5528 -15.5528 -15.5528 -3.4731 -3.4731 -3.4731 -3.4731 -2.4430 -2.4430 -2.4430 -2.4430 -1.6326 -1.6326 -1.6326 -1.6326 -0.4428 -0.4428 -0.4428 -0.4428 5.3228 5.3228 5.3228 5.3228 7.2938 7.2938 7.2938 7.2938 k = 0.5000 0.1928 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6277 -20.6277 -20.6277 -20.6277 -20.6096 -20.6096 -20.6096 -20.6096 -15.5528 -15.5528 -15.5528 -15.5528 -3.4858 -3.4858 -3.4858 -3.4858 -2.4269 -2.4269 -2.4269 -2.4269 -1.6467 -1.6467 -1.6467 -1.6467 -0.4189 -0.4189 -0.4189 -0.4189 5.3150 5.3150 5.3150 5.3150 7.2463 7.2463 7.2463 7.2463 k = 0.5000 0.2041 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7982 -20.7982 -20.6276 -20.6276 -20.6276 -20.6276 -20.6097 -20.6097 -20.6097 -20.6097 -15.5529 -15.5529 -15.5529 -15.5529 -3.4983 -3.4983 -3.4983 -3.4983 -2.4101 -2.4101 -2.4101 -2.4101 -1.6613 -1.6613 -1.6613 -1.6613 -0.3953 -0.3953 -0.3953 -0.3953 5.3075 5.3075 5.3075 5.3075 7.2000 7.2000 7.2000 7.2000 k = 0.5000 0.2155 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7982 -20.7982 -20.6276 -20.6276 -20.6276 -20.6276 -20.6098 -20.6098 -20.6098 -20.6098 -15.5529 -15.5529 -15.5529 -15.5529 -3.5105 -3.5105 -3.5105 -3.5105 -2.3929 -2.3929 -2.3929 -2.3929 -1.6764 -1.6764 -1.6764 -1.6764 -0.3721 -0.3721 -0.3721 -0.3721 5.3003 5.3003 5.3003 5.3003 7.1554 7.1554 7.1554 7.1554 k = 0.5000 0.2268 0.3330 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7982 -20.7982 -20.6275 -20.6275 -20.6275 -20.6275 -20.6099 -20.6099 -20.6099 -20.6099 -15.5529 -15.5529 -15.5529 -15.5529 -3.5223 -3.5223 -3.5223 -3.5223 -2.3753 -2.3753 -2.3753 -2.3753 -1.6920 -1.6920 -1.6920 -1.6920 -0.3495 -0.3495 -0.3495 -0.3495 5.2935 5.2935 5.2935 5.2935 7.1125 7.1125 7.1125 7.1125 k = 0.5000 0.2381 0.3330 ( 6008 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7982 -20.7982 -20.6275 -20.6275 -20.6275 -20.6275 -20.6099 -20.6099 -20.6099 -20.6099 -15.5530 -15.5530 -15.5530 -15.5530 -3.5335 -3.5335 -3.5335 -3.5335 -2.3574 -2.3574 -2.3574 -2.3574 -1.7079 -1.7079 -1.7079 -1.7079 -0.3277 -0.3277 -0.3277 -0.3277 5.2872 5.2872 5.2872 5.2872 7.0718 7.0718 7.0718 7.0718 k = 0.5000 0.2495 0.3330 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7982 -20.7982 -20.6274 -20.6274 -20.6274 -20.6274 -20.6100 -20.6100 -20.6100 -20.6100 -15.5530 -15.5530 -15.5530 -15.5530 -3.5442 -3.5442 -3.5442 -3.5442 -2.3393 -2.3393 -2.3393 -2.3393 -1.7241 -1.7241 -1.7241 -1.7241 -0.3069 -0.3069 -0.3069 -0.3069 5.2814 5.2814 5.2814 5.2814 7.0334 7.0334 7.0334 7.0334 k = 0.5000 0.2608 0.3330 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7982 -20.7982 -20.6273 -20.6273 -20.6273 -20.6273 -20.6101 -20.6101 -20.6101 -20.6101 -15.5530 -15.5530 -15.5530 -15.5530 -3.5542 -3.5542 -3.5542 -3.5542 -2.3212 -2.3212 -2.3212 -2.3212 -1.7404 -1.7404 -1.7404 -1.7404 -0.2872 -0.2872 -0.2872 -0.2872 5.2761 5.2761 5.2761 5.2761 6.9975 6.9975 6.9975 6.9975 k = 0.5000 0.2722 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6273 -20.6273 -20.6273 -20.6273 -20.6101 -20.6101 -20.6101 -20.6101 -15.5531 -15.5531 -15.5531 -15.5531 -3.5634 -3.5634 -3.5634 -3.5634 -2.3033 -2.3033 -2.3033 -2.3033 -1.7567 -1.7567 -1.7567 -1.7567 -0.2689 -0.2689 -0.2689 -0.2689 5.2713 5.2713 5.2713 5.2713 6.9644 6.9644 6.9644 6.9644 k = 0.5000 0.2835 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6272 -20.6272 -20.6272 -20.6272 -20.6102 -20.6102 -20.6102 -20.6102 -15.5531 -15.5531 -15.5531 -15.5531 -3.5719 -3.5719 -3.5719 -3.5719 -2.2858 -2.2858 -2.2858 -2.2858 -1.7727 -1.7727 -1.7727 -1.7727 -0.2522 -0.2522 -0.2522 -0.2522 5.2670 5.2670 5.2670 5.2670 6.9343 6.9343 6.9343 6.9343 k = 0.5000 0.2948 0.3330 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6272 -20.6272 -20.6272 -20.6272 -20.6102 -20.6102 -20.6102 -20.6102 -15.5531 -15.5531 -15.5531 -15.5531 -3.5794 -3.5794 -3.5794 -3.5794 -2.2689 -2.2689 -2.2689 -2.2689 -1.7883 -1.7883 -1.7883 -1.7883 -0.2370 -0.2370 -0.2370 -0.2370 5.2633 5.2633 5.2633 5.2633 6.9073 6.9073 6.9073 6.9073 k = 0.5000 0.3062 0.3330 ( 5988 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6271 -20.6271 -20.6271 -20.6271 -20.6102 -20.6102 -20.6102 -20.6102 -15.5531 -15.5531 -15.5531 -15.5531 -3.5861 -3.5861 -3.5861 -3.5861 -2.2529 -2.2529 -2.2529 -2.2529 -1.8031 -1.8031 -1.8031 -1.8031 -0.2236 -0.2236 -0.2236 -0.2236 5.2601 5.2601 5.2601 5.2601 6.8835 6.8835 6.8835 6.8835 k = 0.5000 0.3175 0.3330 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6103 -20.6103 -20.6103 -20.6103 -15.5532 -15.5532 -15.5532 -15.5532 -3.5918 -3.5918 -3.5918 -3.5918 -2.2382 -2.2382 -2.2382 -2.2382 -1.8167 -1.8167 -1.8167 -1.8167 -0.2120 -0.2120 -0.2120 -0.2120 5.2575 5.2575 5.2575 5.2575 6.8631 6.8631 6.8631 6.8631 k = 0.5000 0.3289 0.3330 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7980 -20.7980 -20.7980 -20.7980 -20.6270 -20.6270 -20.6270 -20.6270 -20.6103 -20.6103 -20.6103 -20.6103 -15.5532 -15.5532 -15.5532 -15.5532 -3.5965 -3.5965 -3.5965 -3.5965 -2.2252 -2.2252 -2.2252 -2.2252 -1.8289 -1.8289 -1.8289 -1.8289 -0.2025 -0.2025 -0.2025 -0.2025 5.2553 5.2553 5.2553 5.2553 6.8463 6.8463 6.8463 6.8463 k = 0.5000 0.3402 0.3330 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7980 -20.7980 -20.7980 -20.7980 -20.6270 -20.6270 -20.6270 -20.6270 -20.6103 -20.6103 -20.6103 -20.6103 -15.5532 -15.5532 -15.5532 -15.5532 -3.6002 -3.6002 -3.6002 -3.6002 -2.2144 -2.2144 -2.2144 -2.2144 -1.8390 -1.8390 -1.8390 -1.8390 -0.1950 -0.1950 -0.1950 -0.1950 5.2537 5.2537 5.2537 5.2537 6.8331 6.8331 6.8331 6.8331 k = 0.5000 0.3515 0.3330 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5532 -15.5532 -15.5532 -15.5532 -3.6029 -3.6029 -3.6029 -3.6029 -2.2062 -2.2062 -2.2062 -2.2062 -1.8468 -1.8468 -1.8468 -1.8468 -0.1896 -0.1896 -0.1896 -0.1896 5.2525 5.2525 5.2525 5.2525 6.8236 6.8236 6.8236 6.8236 k = 0.5000 0.3629 0.3330 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5532 -15.5532 -15.5532 -15.5532 -3.6045 -3.6045 -3.6045 -3.6045 -2.2010 -2.2010 -2.2010 -2.2010 -1.8516 -1.8516 -1.8516 -1.8516 -0.1863 -0.1863 -0.1863 -0.1863 5.2518 5.2518 5.2518 5.2518 6.8179 6.8179 6.8179 6.8179 k = 0.5000 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5532 -15.5532 -15.5532 -15.5532 -3.6050 -3.6050 -3.6050 -3.6050 -2.1993 -2.1993 -2.1993 -2.1993 -1.8533 -1.8533 -1.8533 -1.8533 -0.1852 -0.1852 -0.1852 -0.1852 5.2516 5.2516 5.2516 5.2516 6.8160 6.8160 6.8160 6.8160 k = 0.5000 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5532 -15.5532 -15.5532 -15.5532 -3.6050 -3.6050 -3.6050 -3.6050 -2.1993 -2.1993 -2.1993 -2.1993 -1.8533 -1.8533 -1.8533 -1.8533 -0.1852 -0.1852 -0.1852 -0.1852 5.2516 5.2516 5.2516 5.2516 6.8160 6.8160 6.8160 6.8160 k = 0.4886 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7980 -20.7980 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5533 -15.5533 -15.5533 -15.5533 -3.6057 -3.6057 -3.6057 -3.6057 -2.1984 -2.1984 -2.1984 -2.1984 -1.8531 -1.8531 -1.8531 -1.8531 -0.1855 -0.1855 -0.1854 -0.1854 5.2533 5.2533 5.2533 5.2533 6.8156 6.8156 6.8156 6.8156 k = 0.4773 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7980 -20.7980 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6103 -20.6103 -15.5536 -15.5536 -15.5535 -15.5535 -3.6078 -3.6078 -3.6078 -3.6078 -2.1956 -2.1956 -2.1956 -2.1956 -1.8525 -1.8525 -1.8525 -1.8525 -0.1863 -0.1863 -0.1862 -0.1862 5.2583 5.2583 5.2584 5.2584 6.8144 6.8144 6.8145 6.8145 k = 0.4659 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7980 -20.7980 -20.6270 -20.6270 -20.6270 -20.6270 -20.6103 -20.6103 -20.6102 -20.6102 -15.5540 -15.5540 -15.5539 -15.5539 -3.6112 -3.6112 -3.6112 -3.6112 -2.1910 -2.1910 -2.1909 -2.1909 -1.8516 -1.8516 -1.8515 -1.8515 -0.1877 -0.1877 -0.1875 -0.1875 5.2668 5.2668 5.2668 5.2668 6.8125 6.8125 6.8125 6.8125 k = 0.4545 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7981 -20.7981 -20.7979 -20.7979 -20.6270 -20.6270 -20.6270 -20.6270 -20.6101 -20.6101 -20.6100 -20.6100 -15.5545 -15.5545 -15.5545 -15.5545 -3.6160 -3.6160 -3.6160 -3.6160 -2.1845 -2.1845 -2.1844 -2.1844 -1.8504 -1.8504 -1.8503 -1.8503 -0.1895 -0.1895 -0.1893 -0.1893 5.2786 5.2786 5.2786 5.2786 6.8098 6.8098 6.8099 6.8099 k = 0.4432 0.3742 0.3330 ( 5980 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7980 -20.7980 -20.7978 -20.7978 -20.6270 -20.6270 -20.6270 -20.6270 -20.6099 -20.6099 -20.6097 -20.6097 -15.5553 -15.5553 -15.5552 -15.5552 -3.6220 -3.6220 -3.6220 -3.6220 -2.1762 -2.1762 -2.1761 -2.1761 -1.8488 -1.8488 -1.8486 -1.8486 -0.1920 -0.1920 -0.1917 -0.1917 5.2936 5.2936 5.2937 5.2937 6.8064 6.8064 6.8065 6.8065 k = 0.4318 0.3742 0.3330 ( 5980 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7980 -20.7980 -20.7977 -20.7977 -20.6271 -20.6271 -20.6270 -20.6270 -20.6097 -20.6097 -20.6095 -20.6095 -15.5562 -15.5562 -15.5561 -15.5561 -3.6293 -3.6293 -3.6293 -3.6293 -2.1662 -2.1662 -2.1661 -2.1661 -1.8469 -1.8469 -1.8467 -1.8467 -0.1949 -0.1949 -0.1946 -0.1946 5.3119 5.3119 5.3119 5.3119 6.8023 6.8023 6.8025 6.8025 k = 0.4205 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7980 -20.7980 -20.7976 -20.7976 -20.6271 -20.6271 -20.6271 -20.6271 -20.6095 -20.6095 -20.6092 -20.6092 -15.5572 -15.5572 -15.5571 -15.5571 -3.6378 -3.6378 -3.6378 -3.6378 -2.1544 -2.1544 -2.1543 -2.1543 -1.8447 -1.8447 -1.8445 -1.8445 -0.1983 -0.1983 -0.1980 -0.1980 5.3333 5.3333 5.3333 5.3333 6.7977 6.7977 6.7979 6.7979 k = 0.4091 0.3742 0.3330 ( 5976 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7979 -20.7979 -20.7975 -20.7975 -20.6271 -20.6271 -20.6271 -20.6271 -20.6092 -20.6092 -20.6089 -20.6089 -15.5584 -15.5584 -15.5583 -15.5583 -3.6474 -3.6474 -3.6474 -3.6474 -2.1409 -2.1409 -2.1407 -2.1407 -1.8422 -1.8422 -1.8420 -1.8420 -0.2023 -0.2023 -0.2019 -0.2019 5.3577 5.3577 5.3578 5.3578 6.7926 6.7926 6.7928 6.7928 k = 0.3977 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7978 -20.7978 -20.7974 -20.7974 -20.6272 -20.6272 -20.6271 -20.6271 -20.6089 -20.6089 -20.6086 -20.6086 -15.5597 -15.5597 -15.5596 -15.5596 -3.6581 -3.6581 -3.6581 -3.6581 -2.1258 -2.1258 -2.1256 -2.1256 -1.8395 -1.8395 -1.8392 -1.8392 -0.2068 -0.2068 -0.2063 -0.2063 5.3850 5.3850 5.3851 5.3851 6.7870 6.7870 6.7872 6.7872 k = 0.3864 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7978 -20.7978 -20.7973 -20.7973 -20.6273 -20.6273 -20.6272 -20.6272 -20.6086 -20.6086 -20.6082 -20.6082 -15.5611 -15.5611 -15.5611 -15.5611 -3.6697 -3.6697 -3.6697 -3.6697 -2.1090 -2.1090 -2.1088 -2.1088 -1.8365 -1.8365 -1.8362 -1.8362 -0.2118 -0.2118 -0.2112 -0.2112 5.4151 5.4151 5.4152 5.4152 6.7811 6.7811 6.7813 6.7813 k = 0.3750 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7977 -20.7977 -20.7972 -20.7972 -20.6273 -20.6273 -20.6272 -20.6272 -20.6082 -20.6082 -20.6077 -20.6077 -15.5627 -15.5627 -15.5626 -15.5626 -3.6823 -3.6823 -3.6823 -3.6823 -2.0908 -2.0908 -2.0905 -2.0905 -1.8333 -1.8333 -1.8330 -1.8330 -0.2172 -0.2172 -0.2167 -0.2167 5.4478 5.4478 5.4480 5.4480 6.7750 6.7750 6.7752 6.7752 k = 0.3636 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7976 -20.7976 -20.7971 -20.7971 -20.6274 -20.6274 -20.6273 -20.6273 -20.6078 -20.6078 -20.6073 -20.6073 -15.5644 -15.5644 -15.5643 -15.5643 -3.6956 -3.6956 -3.6956 -3.6956 -2.0710 -2.0710 -2.0708 -2.0708 -1.8300 -1.8300 -1.8296 -1.8296 -0.2232 -0.2232 -0.2226 -0.2226 5.4830 5.4830 5.4831 5.4831 6.7688 6.7688 6.7691 6.7691 k = 0.3523 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7975 -20.7975 -20.7970 -20.7970 -20.6275 -20.6275 -20.6274 -20.6274 -20.6073 -20.6073 -20.6068 -20.6068 -15.5662 -15.5662 -15.5661 -15.5661 -3.7097 -3.7097 -3.7097 -3.7097 -2.0499 -2.0499 -2.0497 -2.0497 -1.8265 -1.8265 -1.8260 -1.8260 -0.2297 -0.2297 -0.2290 -0.2290 5.5203 5.5203 5.5205 5.5205 6.7627 6.7627 6.7630 6.7630 k = 0.3409 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7447 -48.7447 -48.7447 -48.7447 -20.7974 -20.7974 -20.7968 -20.7968 -20.6275 -20.6275 -20.6274 -20.6274 -20.6068 -20.6068 -20.6063 -20.6063 -15.5681 -15.5681 -15.5680 -15.5680 -3.7244 -3.7244 -3.7244 -3.7244 -2.0276 -2.0276 -2.0274 -2.0274 -1.8227 -1.8227 -1.8222 -1.8222 -0.2366 -0.2366 -0.2359 -0.2359 5.5597 5.5597 5.5598 5.5598 6.7568 6.7568 6.7571 6.7571 k = 0.3295 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7973 -20.7973 -20.7967 -20.7967 -20.6276 -20.6276 -20.6275 -20.6275 -20.6063 -20.6063 -20.6057 -20.6057 -15.5700 -15.5700 -15.5700 -15.5700 -3.7396 -3.7396 -3.7396 -3.7396 -2.0041 -2.0041 -2.0040 -2.0040 -1.8188 -1.8188 -1.8182 -1.8182 -0.2440 -0.2440 -0.2432 -0.2432 5.6007 5.6007 5.6009 5.6009 6.7514 6.7514 6.7517 6.7517 k = 0.3182 0.3742 0.3330 ( 5996 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -20.7972 -20.7972 -20.7966 -20.7966 -20.6277 -20.6277 -20.6277 -20.6277 -20.6057 -20.6057 -20.6052 -20.6052 -15.5721 -15.5721 -15.5720 -15.5720 -3.7553 -3.7553 -3.7553 -3.7553 -1.9797 -1.9797 -1.9796 -1.9796 -1.8145 -1.8145 -1.8138 -1.8138 -0.2519 -0.2519 -0.2511 -0.2511 5.6431 5.6431 5.6433 5.6433 6.7466 6.7466 6.7470 6.7470 k = 0.3068 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7971 -20.7971 -20.7965 -20.7965 -20.6278 -20.6278 -20.6278 -20.6278 -20.6052 -20.6052 -20.6046 -20.6046 -15.5742 -15.5742 -15.5741 -15.5741 -3.7714 -3.7714 -3.7714 -3.7714 -1.9546 -1.9546 -1.9546 -1.9546 -1.8099 -1.8099 -1.8090 -1.8090 -0.2602 -0.2602 -0.2593 -0.2593 5.6865 5.6865 5.6868 5.6868 6.7428 6.7428 6.7432 6.7432 k = 0.2955 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7970 -20.7970 -20.7964 -20.7964 -20.6279 -20.6279 -20.6279 -20.6279 -20.6046 -20.6046 -20.6039 -20.6039 -15.5764 -15.5764 -15.5763 -15.5763 -3.7877 -3.7877 -3.7877 -3.7877 -1.9292 -1.9292 -1.9291 -1.9291 -1.8045 -1.8045 -1.8036 -1.8036 -0.2690 -0.2690 -0.2681 -0.2681 5.7306 5.7306 5.7309 5.7309 6.7402 6.7402 6.7407 6.7407 k = 0.2841 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7969 -20.7969 -20.7962 -20.7962 -20.6280 -20.6280 -20.6280 -20.6280 -20.6039 -20.6039 -20.6033 -20.6033 -15.5786 -15.5786 -15.5785 -15.5785 -3.8041 -3.8041 -3.8041 -3.8041 -1.9042 -1.9042 -1.9038 -1.9038 -1.7981 -1.7981 -1.7969 -1.7969 -0.2782 -0.2782 -0.2772 -0.2772 5.7748 5.7748 5.7752 5.7752 6.7392 6.7392 6.7397 6.7397 k = 0.2727 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7449 -48.7449 -48.7449 -48.7449 -20.7968 -20.7968 -20.7961 -20.7961 -20.6282 -20.6282 -20.6281 -20.6281 -20.6032 -20.6032 -20.6026 -20.6026 -15.5808 -15.5808 -15.5807 -15.5807 -3.8207 -3.8207 -3.8207 -3.8207 -1.8803 -1.8803 -1.8798 -1.8798 -1.7897 -1.7897 -1.7882 -1.7882 -0.2878 -0.2878 -0.2868 -0.2868 5.8187 5.8187 5.8191 5.8191 6.7401 6.7401 6.7407 6.7407 k = 0.2614 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7967 -20.7967 -20.7960 -20.7960 -20.6283 -20.6283 -20.6282 -20.6282 -20.6025 -20.6025 -20.6019 -20.6019 -15.5831 -15.5831 -15.5830 -15.5830 -3.8372 -3.8372 -3.8372 -3.8372 -1.8592 -1.8592 -1.8583 -1.8583 -1.7780 -1.7780 -1.7762 -1.7762 -0.2978 -0.2978 -0.2967 -0.2967 5.8617 5.8617 5.8621 5.8621 6.7434 6.7434 6.7441 6.7441 k = 0.2500 0.3742 0.3330 ( 5976 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7965 -20.7965 -20.7959 -20.7959 -20.6284 -20.6284 -20.6283 -20.6283 -20.6018 -20.6018 -20.6012 -20.6012 -15.5854 -15.5854 -15.5853 -15.5853 -3.8537 -3.8537 -3.8537 -3.8537 -1.8422 -1.8422 -1.8412 -1.8412 -1.7614 -1.7614 -1.7594 -1.7594 -0.3082 -0.3082 -0.3071 -0.3071 5.9031 5.9031 5.9036 5.9036 6.7496 6.7496 6.7503 6.7503 k = 0.2386 0.3742 0.3330 ( 5980 PWs) bands (ev): -48.7450 -48.7450 -48.7450 -48.7450 -20.7964 -20.7964 -20.7958 -20.7958 -20.6285 -20.6285 -20.6284 -20.6284 -20.6011 -20.6011 -20.6005 -20.6005 -15.5877 -15.5877 -15.5876 -15.5876 -3.8700 -3.8700 -3.8700 -3.8700 -1.8299 -1.8299 -1.8289 -1.8289 -1.7397 -1.7397 -1.7376 -1.7376 -0.3190 -0.3190 -0.3179 -0.3179 5.9424 5.9424 5.9429 5.9429 6.7591 6.7591 6.7598 6.7598 k = 0.2273 0.3742 0.3330 ( 5976 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7963 -20.7963 -20.7957 -20.7957 -20.6286 -20.6286 -20.6286 -20.6286 -20.6004 -20.6004 -20.5998 -20.5998 -15.5899 -15.5899 -15.5898 -15.5898 -3.8860 -3.8860 -3.8860 -3.8860 -1.8213 -1.8213 -1.8204 -1.8204 -1.7138 -1.7138 -1.7118 -1.7118 -0.3301 -0.3301 -0.3290 -0.3290 5.9789 5.9789 5.9795 5.9795 6.7723 6.7723 6.7731 6.7731 k = 0.2159 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7962 -20.7962 -20.7956 -20.7956 -20.6288 -20.6288 -20.6287 -20.6287 -20.5998 -20.5998 -20.5992 -20.5992 -15.5921 -15.5921 -15.5920 -15.5920 -3.9018 -3.9018 -3.9018 -3.9018 -1.8151 -1.8151 -1.8143 -1.8143 -1.6855 -1.6855 -1.6836 -1.6836 -0.3416 -0.3416 -0.3404 -0.3404 6.0122 6.0122 6.0127 6.0127 6.7896 6.7896 6.7904 6.7904 k = 0.2045 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7451 -48.7451 -48.7451 -48.7451 -20.7962 -20.7962 -20.7955 -20.7955 -20.6289 -20.6289 -20.6288 -20.6288 -20.5991 -20.5991 -20.5985 -20.5985 -15.5943 -15.5943 -15.5942 -15.5942 -3.9171 -3.9171 -3.9171 -3.9171 -1.8103 -1.8103 -1.8097 -1.8097 -1.6556 -1.6556 -1.6538 -1.6538 -0.3534 -0.3534 -0.3522 -0.3522 6.0416 6.0416 6.0422 6.0422 6.8112 6.8112 6.8120 6.8120 k = 0.1932 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7961 -20.7961 -20.7955 -20.7955 -20.6290 -20.6290 -20.6290 -20.6290 -20.5985 -20.5985 -20.5979 -20.5979 -15.5965 -15.5965 -15.5964 -15.5964 -3.9320 -3.9320 -3.9320 -3.9320 -1.8066 -1.8066 -1.8060 -1.8060 -1.6250 -1.6250 -1.6233 -1.6233 -0.3654 -0.3654 -0.3642 -0.3642 6.0671 6.0671 6.0677 6.0677 6.8371 6.8371 6.8379 6.8379 k = 0.1818 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7960 -20.7960 -20.7954 -20.7954 -20.6292 -20.6292 -20.6291 -20.6291 -20.5978 -20.5978 -20.5972 -20.5972 -15.5986 -15.5986 -15.5985 -15.5985 -3.9464 -3.9464 -3.9464 -3.9464 -1.8035 -1.8035 -1.8030 -1.8030 -1.5940 -1.5940 -1.5923 -1.5923 -0.3777 -0.3777 -0.3765 -0.3765 6.0886 6.0886 6.0892 6.0892 6.8671 6.8671 6.8678 6.8678 k = 0.1705 0.3742 0.3330 ( 5980 PWs) bands (ev): -48.7452 -48.7452 -48.7452 -48.7452 -20.7959 -20.7959 -20.7953 -20.7953 -20.6293 -20.6293 -20.6292 -20.6292 -20.5971 -20.5971 -20.5965 -20.5965 -15.6006 -15.6006 -15.6005 -15.6005 -3.9602 -3.9602 -3.9602 -3.9602 -1.8009 -1.8009 -1.8004 -1.8004 -1.5630 -1.5630 -1.5613 -1.5613 -0.3902 -0.3902 -0.3889 -0.3889 6.1061 6.1061 6.1067 6.1067 6.9007 6.9007 6.9015 6.9015 k = 0.1591 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7958 -20.7958 -20.7953 -20.7953 -20.6294 -20.6294 -20.6293 -20.6293 -20.5965 -20.5965 -20.5959 -20.5959 -15.6025 -15.6025 -15.6024 -15.6024 -3.9734 -3.9734 -3.9734 -3.9734 -1.7986 -1.7986 -1.7982 -1.7982 -1.5322 -1.5322 -1.5306 -1.5306 -0.4028 -0.4028 -0.4015 -0.4015 6.1201 6.1201 6.1206 6.1206 6.9374 6.9374 6.9381 6.9381 k = 0.1477 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7957 -20.7957 -20.7952 -20.7952 -20.6295 -20.6295 -20.6295 -20.6295 -20.5959 -20.5959 -20.5954 -20.5954 -15.6044 -15.6044 -15.6043 -15.6043 -3.9859 -3.9859 -3.9859 -3.9859 -1.7967 -1.7967 -1.7963 -1.7963 -1.5019 -1.5019 -1.5004 -1.5004 -0.4154 -0.4154 -0.4142 -0.4142 6.1308 6.1308 6.1314 6.1314 6.9764 6.9764 6.9771 6.9771 k = 0.1364 0.3742 0.3330 ( 5996 PWs) bands (ev): -48.7453 -48.7453 -48.7453 -48.7453 -20.7957 -20.7957 -20.7952 -20.7952 -20.6297 -20.6297 -20.6296 -20.6296 -20.5953 -20.5953 -20.5948 -20.5948 -15.6061 -15.6061 -15.6061 -15.6061 -3.9976 -3.9976 -3.9976 -3.9976 -1.7950 -1.7950 -1.7947 -1.7947 -1.4724 -1.4724 -1.4710 -1.4710 -0.4281 -0.4281 -0.4268 -0.4268 6.1389 6.1389 6.1394 6.1394 7.0169 7.0169 7.0176 7.0176 k = 0.1250 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7956 -20.7956 -20.7951 -20.7951 -20.6298 -20.6298 -20.6297 -20.6297 -20.5947 -20.5947 -20.5943 -20.5943 -15.6078 -15.6078 -15.6077 -15.6077 -4.0086 -4.0086 -4.0086 -4.0086 -1.7935 -1.7935 -1.7933 -1.7933 -1.4438 -1.4438 -1.4424 -1.4424 -0.4406 -0.4406 -0.4394 -0.4394 6.1446 6.1446 6.1451 6.1451 7.0581 7.0581 7.0588 7.0588 k = 0.1136 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7955 -20.7955 -20.7951 -20.7951 -20.6298 -20.6298 -20.6298 -20.6298 -20.5942 -20.5942 -20.5938 -20.5938 -15.6093 -15.6093 -15.6092 -15.6092 -4.0188 -4.0188 -4.0188 -4.0188 -1.7922 -1.7922 -1.7920 -1.7920 -1.4165 -1.4165 -1.4151 -1.4151 -0.4529 -0.4529 -0.4517 -0.4517 6.1485 6.1485 6.1489 6.1489 7.0992 7.0992 7.0998 7.0998 k = 0.1023 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7954 -20.7954 -20.7951 -20.7951 -20.6299 -20.6299 -20.6299 -20.6299 -20.5937 -20.5937 -20.5933 -20.5933 -15.6107 -15.6107 -15.6107 -15.6107 -4.0281 -4.0281 -4.0281 -4.0281 -1.7911 -1.7911 -1.7909 -1.7909 -1.3905 -1.3905 -1.3893 -1.3893 -0.4648 -0.4648 -0.4637 -0.4637 6.1510 6.1510 6.1514 6.1514 7.1393 7.1393 7.1398 7.1398 k = 0.0909 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7954 -20.7954 -20.7950 -20.7950 -20.6300 -20.6300 -20.6300 -20.6300 -20.5933 -20.5933 -20.5929 -20.5929 -15.6120 -15.6120 -15.6119 -15.6119 -4.0365 -4.0365 -4.0365 -4.0365 -1.7902 -1.7902 -1.7900 -1.7900 -1.3663 -1.3663 -1.3651 -1.3651 -0.4762 -0.4762 -0.4752 -0.4752 6.1524 6.1524 6.1527 6.1527 7.1776 7.1776 7.1781 7.1781 k = 0.0795 0.3742 0.3330 ( 5972 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7953 -20.7953 -20.7950 -20.7950 -20.6300 -20.6300 -20.6300 -20.6300 -20.5928 -20.5928 -20.5925 -20.5925 -15.6131 -15.6131 -15.6131 -15.6131 -4.0440 -4.0440 -4.0440 -4.0440 -1.7893 -1.7893 -1.7892 -1.7892 -1.3439 -1.3439 -1.3429 -1.3429 -0.4869 -0.4869 -0.4860 -0.4860 6.1530 6.1530 6.1533 6.1533 7.2135 7.2135 7.2139 7.2139 k = 0.0682 0.3742 0.3330 ( 5964 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7952 -20.7952 -20.7950 -20.7950 -20.6301 -20.6301 -20.6301 -20.6301 -20.5924 -20.5924 -20.5922 -20.5922 -15.6141 -15.6141 -15.6141 -15.6141 -4.0505 -4.0505 -4.0505 -4.0505 -1.7886 -1.7886 -1.7885 -1.7885 -1.3238 -1.3238 -1.3228 -1.3228 -0.4968 -0.4968 -0.4959 -0.4959 6.1531 6.1531 6.1533 6.1533 7.2461 7.2461 7.2465 7.2465 k = 0.0568 0.3742 0.3330 ( 5960 PWs) bands (ev): -48.7454 -48.7454 -48.7454 -48.7454 -20.7952 -20.7952 -20.7950 -20.7950 -20.6301 -20.6301 -20.6301 -20.6301 -20.5921 -20.5921 -20.5919 -20.5919 -15.6150 -15.6150 -15.6149 -15.6149 -4.0561 -4.0561 -4.0561 -4.0561 -1.7881 -1.7881 -1.7880 -1.7880 -1.3062 -1.3062 -1.3053 -1.3053 -0.5056 -0.5056 -0.5048 -0.5048 6.1528 6.1528 6.1530 6.1530 7.2750 7.2750 7.2753 7.2753 k = 0.0455 0.3742 0.3330 ( 5968 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7952 -20.7952 -20.7950 -20.7950 -20.6302 -20.6302 -20.6302 -20.6302 -20.5919 -20.5919 -20.5917 -20.5917 -15.6157 -15.6157 -15.6157 -15.6157 -4.0607 -4.0607 -4.0607 -4.0607 -1.7876 -1.7876 -1.7876 -1.7876 -1.2913 -1.2913 -1.2906 -1.2906 -0.5131 -0.5131 -0.5125 -0.5125 6.1524 6.1524 6.1525 6.1525 7.2995 7.2995 7.2998 7.2998 k = 0.0341 0.3742 0.3330 ( 5980 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7950 -20.7950 -20.6303 -20.6303 -20.6303 -20.6303 -20.5917 -20.5917 -20.5916 -20.5916 -15.6162 -15.6162 -15.6162 -15.6162 -4.0643 -4.0643 -4.0643 -4.0643 -1.7873 -1.7873 -1.7872 -1.7872 -1.2794 -1.2794 -1.2789 -1.2789 -0.5192 -0.5192 -0.5187 -0.5187 6.1519 6.1519 6.1520 6.1520 7.3191 7.3191 7.3193 7.3193 k = 0.0227 0.3742 0.3330 ( 5984 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7950 -20.7950 -20.6303 -20.6303 -20.6303 -20.6303 -20.5916 -20.5916 -20.5915 -20.5915 -15.6166 -15.6166 -15.6166 -15.6166 -4.0669 -4.0669 -4.0669 -4.0669 -1.7870 -1.7870 -1.7870 -1.7870 -1.2707 -1.2707 -1.2703 -1.2703 -0.5237 -0.5237 -0.5234 -0.5234 6.1515 6.1515 6.1516 6.1516 7.3334 7.3334 7.3335 7.3335 k = 0.0114 0.3742 0.3330 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7951 -20.7951 -20.6303 -20.6303 -20.6303 -20.6303 -20.5915 -20.5915 -20.5914 -20.5914 -15.6169 -15.6169 -15.6169 -15.6169 -4.0684 -4.0684 -4.0684 -4.0684 -1.7869 -1.7869 -1.7869 -1.7869 -1.2654 -1.2654 -1.2652 -1.2652 -0.5264 -0.5264 -0.5262 -0.5262 6.1513 6.1513 6.1513 6.1513 7.3421 7.3421 7.3422 7.3422 k = 0.0000 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7951 -20.7951 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6169 -15.6169 -15.6169 -15.6169 -4.0689 -4.0689 -4.0689 -4.0689 -1.7868 -1.7868 -1.7868 -1.7868 -1.2635 -1.2635 -1.2635 -1.2635 -0.5273 -0.5273 -0.5273 -0.5273 6.1512 6.1512 6.1512 6.1512 7.3451 7.3451 7.3451 7.3451 k = 0.0000 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7951 -20.7951 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6169 -15.6169 -15.6169 -15.6169 -4.0689 -4.0689 -4.0689 -4.0689 -1.7868 -1.7868 -1.7868 -1.7868 -1.2635 -1.2635 -1.2635 -1.2635 -0.5273 -0.5273 -0.5273 -0.5273 6.1512 6.1512 6.1512 6.1512 7.3451 7.3451 7.3451 7.3451 k = 0.0000 0.3629 0.3330 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7951 -20.7951 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6170 -15.6170 -15.6170 -15.6170 -4.0680 -4.0680 -4.0680 -4.0680 -1.7879 -1.7879 -1.7879 -1.7879 -1.2635 -1.2635 -1.2635 -1.2635 -0.5277 -0.5277 -0.5277 -0.5277 6.1522 6.1522 6.1522 6.1522 7.3454 7.3454 7.3454 7.3454 k = 0.0000 0.3515 0.3330 ( 5982 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7950 -20.7950 -20.7950 -20.7950 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6171 -15.6171 -15.6171 -15.6171 -4.0652 -4.0652 -4.0652 -4.0652 -1.7910 -1.7910 -1.7910 -1.7910 -1.2635 -1.2635 -1.2635 -1.2635 -0.5289 -0.5289 -0.5289 -0.5289 6.1551 6.1551 6.1551 6.1551 7.3464 7.3464 7.3464 7.3464 k = 0.0000 0.3402 0.3330 ( 5970 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7950 -20.7950 -20.7950 -20.7950 -20.6302 -20.6302 -20.6302 -20.6302 -20.5914 -20.5914 -20.5914 -20.5914 -15.6173 -15.6173 -15.6173 -15.6173 -4.0606 -4.0606 -4.0606 -4.0606 -1.7961 -1.7961 -1.7961 -1.7961 -1.2635 -1.2635 -1.2635 -1.2635 -0.5310 -0.5310 -0.5310 -0.5310 6.1599 6.1599 6.1599 6.1599 7.3480 7.3480 7.3480 7.3480 k = 0.0000 0.3289 0.3330 ( 5972 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7950 -20.7950 -20.7950 -20.7950 -20.6302 -20.6302 -20.6302 -20.6302 -20.5914 -20.5914 -20.5914 -20.5914 -15.6175 -15.6175 -15.6175 -15.6175 -4.0541 -4.0541 -4.0541 -4.0541 -1.8033 -1.8033 -1.8033 -1.8033 -1.2635 -1.2635 -1.2635 -1.2635 -0.5340 -0.5340 -0.5340 -0.5340 6.1667 6.1667 6.1667 6.1667 7.3503 7.3503 7.3503 7.3503 k = 0.0000 0.3175 0.3330 ( 5972 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7949 -20.7949 -20.7949 -20.7949 -20.6302 -20.6302 -20.6302 -20.6302 -20.5914 -20.5914 -20.5914 -20.5914 -15.6178 -15.6178 -15.6178 -15.6178 -4.0458 -4.0458 -4.0458 -4.0458 -1.8126 -1.8126 -1.8126 -1.8126 -1.2635 -1.2635 -1.2635 -1.2635 -0.5376 -0.5376 -0.5376 -0.5376 6.1754 6.1754 6.1754 6.1754 7.3532 7.3532 7.3532 7.3532 k = 0.0000 0.3062 0.3330 ( 5980 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7949 -20.7949 -20.7949 -20.7949 -20.6302 -20.6302 -20.6302 -20.6302 -20.5914 -20.5914 -20.5914 -20.5914 -15.6182 -15.6182 -15.6182 -15.6182 -4.0357 -4.0357 -4.0357 -4.0357 -1.8238 -1.8238 -1.8238 -1.8238 -1.2636 -1.2636 -1.2636 -1.2636 -0.5420 -0.5420 -0.5420 -0.5420 6.1861 6.1861 6.1861 6.1861 7.3566 7.3566 7.3566 7.3566 k = 0.0000 0.2948 0.3330 ( 5972 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7948 -20.7948 -20.7948 -20.7948 -20.6301 -20.6301 -20.6301 -20.6301 -20.5914 -20.5914 -20.5914 -20.5914 -15.6187 -15.6187 -15.6187 -15.6187 -4.0238 -4.0238 -4.0238 -4.0238 -1.8370 -1.8370 -1.8370 -1.8370 -1.2636 -1.2636 -1.2636 -1.2636 -0.5471 -0.5471 -0.5471 -0.5471 6.1986 6.1986 6.1986 6.1986 7.3607 7.3607 7.3607 7.3607 k = 0.0000 0.2835 0.3330 ( 5976 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7948 -20.7948 -20.7948 -20.7948 -20.6300 -20.6300 -20.6300 -20.6300 -20.5914 -20.5914 -20.5914 -20.5914 -15.6192 -15.6192 -15.6192 -15.6192 -4.0103 -4.0103 -4.0103 -4.0103 -1.8520 -1.8520 -1.8520 -1.8520 -1.2636 -1.2636 -1.2636 -1.2636 -0.5528 -0.5528 -0.5528 -0.5528 6.2130 6.2130 6.2130 6.2130 7.3652 7.3652 7.3652 7.3652 k = 0.0000 0.2722 0.3330 ( 5976 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7947 -20.7947 -20.7947 -20.7947 -20.6299 -20.6299 -20.6299 -20.6299 -20.5915 -20.5915 -20.5915 -20.5915 -15.6198 -15.6198 -15.6198 -15.6198 -3.9950 -3.9950 -3.9950 -3.9950 -1.8690 -1.8690 -1.8690 -1.8690 -1.2636 -1.2636 -1.2636 -1.2636 -0.5591 -0.5591 -0.5591 -0.5591 6.2292 6.2292 6.2292 6.2292 7.3703 7.3703 7.3703 7.3703 k = 0.0000 0.2608 0.3330 ( 5968 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7946 -20.7946 -20.7946 -20.7946 -20.6299 -20.6299 -20.6299 -20.6299 -20.5914 -20.5914 -20.5914 -20.5914 -15.6204 -15.6204 -15.6204 -15.6204 -3.9782 -3.9782 -3.9782 -3.9782 -1.8877 -1.8877 -1.8877 -1.8877 -1.2637 -1.2637 -1.2637 -1.2637 -0.5658 -0.5658 -0.5658 -0.5658 6.2473 6.2473 6.2473 6.2473 7.3758 7.3758 7.3758 7.3758 k = 0.0000 0.2495 0.3330 ( 5962 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7945 -20.7945 -20.7945 -20.7945 -20.6297 -20.6297 -20.6297 -20.6297 -20.5915 -20.5915 -20.5915 -20.5915 -15.6210 -15.6210 -15.6210 -15.6210 -3.9598 -3.9598 -3.9598 -3.9598 -1.9082 -1.9082 -1.9082 -1.9082 -1.2637 -1.2637 -1.2637 -1.2637 -0.5729 -0.5729 -0.5729 -0.5729 6.2670 6.2670 6.2670 6.2670 7.3817 7.3817 7.3817 7.3817 k = 0.0000 0.2381 0.3330 ( 5966 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7945 -20.7945 -20.7945 -20.7945 -20.6297 -20.6297 -20.6297 -20.6297 -20.5915 -20.5915 -20.5915 -20.5915 -15.6217 -15.6217 -15.6217 -15.6217 -3.9400 -3.9400 -3.9400 -3.9400 -1.9303 -1.9303 -1.9303 -1.9303 -1.2637 -1.2637 -1.2637 -1.2637 -0.5804 -0.5804 -0.5804 -0.5804 6.2885 6.2885 6.2885 6.2885 7.3880 7.3880 7.3880 7.3880 k = 0.0000 0.2268 0.3330 ( 5974 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7944 -20.7944 -20.7944 -20.7944 -20.6296 -20.6296 -20.6296 -20.6296 -20.5915 -20.5915 -20.5915 -20.5915 -15.6224 -15.6224 -15.6224 -15.6224 -3.9188 -3.9188 -3.9188 -3.9188 -1.9540 -1.9540 -1.9540 -1.9540 -1.2638 -1.2638 -1.2638 -1.2638 -0.5882 -0.5882 -0.5882 -0.5882 6.3115 6.3115 6.3115 6.3115 7.3945 7.3945 7.3945 7.3945 k = 0.0000 0.2155 0.3330 ( 5982 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7943 -20.7943 -20.7943 -20.7943 -20.6295 -20.6295 -20.6295 -20.6295 -20.5916 -20.5916 -20.5916 -20.5916 -15.6232 -15.6232 -15.6232 -15.6232 -3.8963 -3.8963 -3.8963 -3.8963 -1.9791 -1.9791 -1.9791 -1.9791 -1.2638 -1.2638 -1.2638 -1.2638 -0.5961 -0.5961 -0.5961 -0.5961 6.3361 6.3361 6.3361 6.3361 7.4014 7.4014 7.4014 7.4014 k = 0.0000 0.2041 0.3330 ( 5986 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7942 -20.7942 -20.7942 -20.7942 -20.6294 -20.6294 -20.6294 -20.6294 -20.5916 -20.5916 -20.5916 -20.5916 -15.6239 -15.6239 -15.6239 -15.6239 -3.8726 -3.8726 -3.8726 -3.8726 -2.0055 -2.0055 -2.0055 -2.0055 -1.2638 -1.2638 -1.2638 -1.2638 -0.6041 -0.6041 -0.6041 -0.6041 6.3620 6.3620 6.3620 6.3620 7.4084 7.4084 7.4084 7.4084 k = 0.0000 0.1928 0.3330 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7942 -20.7942 -20.7942 -20.7942 -20.6293 -20.6293 -20.6293 -20.6293 -20.5916 -20.5916 -20.5916 -20.5916 -15.6247 -15.6247 -15.6247 -15.6247 -3.8478 -3.8478 -3.8478 -3.8478 -2.0331 -2.0331 -2.0331 -2.0331 -1.2639 -1.2639 -1.2639 -1.2639 -0.6122 -0.6122 -0.6122 -0.6122 6.3891 6.3891 6.3891 6.3891 7.4155 7.4155 7.4155 7.4155 k = 0.0000 0.1814 0.3330 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7941 -20.7941 -20.7941 -20.7941 -20.6293 -20.6293 -20.6293 -20.6293 -20.5917 -20.5917 -20.5917 -20.5917 -15.6255 -15.6255 -15.6255 -15.6255 -3.8221 -3.8221 -3.8221 -3.8221 -2.0617 -2.0617 -2.0617 -2.0617 -1.2639 -1.2639 -1.2639 -1.2639 -0.6202 -0.6202 -0.6202 -0.6202 6.4172 6.4172 6.4172 6.4172 7.4227 7.4227 7.4227 7.4227 k = 0.0000 0.1701 0.3330 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7940 -20.7940 -20.7940 -20.7940 -20.6292 -20.6292 -20.6292 -20.6292 -20.5917 -20.5917 -20.5917 -20.5917 -15.6262 -15.6262 -15.6262 -15.6262 -3.7957 -3.7957 -3.7957 -3.7957 -2.0911 -2.0911 -2.0911 -2.0911 -1.2639 -1.2639 -1.2639 -1.2639 -0.6281 -0.6281 -0.6281 -0.6281 6.4462 6.4462 6.4462 6.4462 7.4299 7.4299 7.4299 7.4299 k = 0.0000 0.1588 0.3330 ( 6008 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7939 -20.7939 -20.7939 -20.7939 -20.6291 -20.6291 -20.6291 -20.6291 -20.5917 -20.5917 -20.5917 -20.5917 -15.6270 -15.6270 -15.6270 -15.6270 -3.7687 -3.7687 -3.7687 -3.7687 -2.1211 -2.1211 -2.1211 -2.1211 -1.2640 -1.2640 -1.2640 -1.2640 -0.6358 -0.6358 -0.6358 -0.6358 6.4759 6.4759 6.4759 6.4759 7.4371 7.4371 7.4371 7.4371 k = 0.0000 0.1474 0.3330 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7938 -20.7938 -20.7938 -20.7938 -20.6290 -20.6290 -20.6290 -20.6290 -20.5917 -20.5917 -20.5917 -20.5917 -15.6278 -15.6278 -15.6278 -15.6278 -3.7412 -3.7412 -3.7412 -3.7412 -2.1515 -2.1515 -2.1515 -2.1515 -1.2640 -1.2640 -1.2640 -1.2640 -0.6432 -0.6432 -0.6432 -0.6432 6.5058 6.5058 6.5058 6.5058 7.4441 7.4441 7.4441 7.4441 k = 0.0000 0.1361 0.3330 ( 5984 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7937 -20.7937 -20.7937 -20.7937 -20.6288 -20.6288 -20.6288 -20.6288 -20.5917 -20.5917 -20.5917 -20.5917 -15.6285 -15.6285 -15.6285 -15.6285 -3.7136 -3.7136 -3.7136 -3.7136 -2.1821 -2.1821 -2.1821 -2.1821 -1.2640 -1.2640 -1.2640 -1.2640 -0.6503 -0.6503 -0.6503 -0.6503 6.5359 6.5359 6.5359 6.5359 7.4509 7.4509 7.4509 7.4509 k = 0.0000 0.1247 0.3330 ( 5992 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7937 -20.7937 -20.7937 -20.7937 -20.6288 -20.6288 -20.6288 -20.6288 -20.5918 -20.5918 -20.5918 -20.5918 -15.6291 -15.6291 -15.6291 -15.6291 -3.6860 -3.6860 -3.6860 -3.6860 -2.2125 -2.2125 -2.2125 -2.2125 -1.2641 -1.2641 -1.2641 -1.2641 -0.6571 -0.6571 -0.6571 -0.6571 6.5657 6.5657 6.5657 6.5657 7.4575 7.4575 7.4575 7.4575 k = 0.0000 0.1134 0.3330 ( 5984 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7936 -20.7936 -20.7936 -20.7936 -20.6287 -20.6287 -20.6287 -20.6287 -20.5917 -20.5917 -20.5917 -20.5917 -15.6298 -15.6298 -15.6298 -15.6298 -3.6588 -3.6588 -3.6588 -3.6588 -2.2424 -2.2424 -2.2424 -2.2424 -1.2641 -1.2641 -1.2641 -1.2641 -0.6635 -0.6635 -0.6635 -0.6635 6.5950 6.5950 6.5950 6.5950 7.4637 7.4637 7.4637 7.4637 k = 0.0000 0.1021 0.3330 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7935 -20.7935 -20.7935 -20.7935 -20.6286 -20.6286 -20.6286 -20.6286 -20.5918 -20.5918 -20.5918 -20.5918 -15.6304 -15.6304 -15.6304 -15.6304 -3.6323 -3.6323 -3.6323 -3.6323 -2.2716 -2.2716 -2.2716 -2.2716 -1.2641 -1.2641 -1.2641 -1.2641 -0.6693 -0.6693 -0.6693 -0.6693 6.6233 6.6233 6.6233 6.6233 7.4695 7.4695 7.4695 7.4695 k = 0.0000 0.0907 0.3330 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7935 -20.7935 -20.7935 -20.7935 -20.6286 -20.6286 -20.6286 -20.6286 -20.5918 -20.5918 -20.5918 -20.5918 -15.6310 -15.6310 -15.6310 -15.6310 -3.6069 -3.6069 -3.6069 -3.6069 -2.2995 -2.2995 -2.2995 -2.2995 -1.2641 -1.2641 -1.2641 -1.2641 -0.6747 -0.6747 -0.6747 -0.6747 6.6502 6.6502 6.6502 6.6502 7.4749 7.4749 7.4749 7.4749 k = 0.0000 0.0794 0.3330 ( 5990 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7934 -20.7934 -20.7934 -20.7934 -20.6285 -20.6285 -20.6285 -20.6285 -20.5918 -20.5918 -20.5918 -20.5918 -15.6315 -15.6315 -15.6315 -15.6315 -3.5829 -3.5829 -3.5829 -3.5829 -2.3257 -2.3257 -2.3257 -2.3257 -1.2642 -1.2642 -1.2642 -1.2642 -0.6795 -0.6795 -0.6795 -0.6795 6.6753 6.6753 6.6753 6.6753 7.4798 7.4798 7.4798 7.4798 k = 0.0000 0.0680 0.3330 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7933 -20.7933 -20.7933 -20.7933 -20.6284 -20.6284 -20.6284 -20.6284 -20.5918 -20.5918 -20.5918 -20.5918 -15.6319 -15.6319 -15.6319 -15.6319 -3.5607 -3.5607 -3.5607 -3.5607 -2.3499 -2.3499 -2.3499 -2.3499 -1.2642 -1.2642 -1.2642 -1.2642 -0.6838 -0.6838 -0.6838 -0.6838 6.6982 6.6982 6.6982 6.6982 7.4842 7.4842 7.4842 7.4842 k = 0.0000 0.0567 0.3330 ( 5996 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7933 -20.7933 -20.7933 -20.7933 -20.6284 -20.6284 -20.6284 -20.6284 -20.5918 -20.5918 -20.5918 -20.5918 -15.6323 -15.6323 -15.6323 -15.6323 -3.5408 -3.5408 -3.5408 -3.5408 -2.3715 -2.3715 -2.3715 -2.3715 -1.2642 -1.2642 -1.2642 -1.2642 -0.6874 -0.6874 -0.6874 -0.6874 6.7185 6.7185 6.7185 6.7185 7.4879 7.4879 7.4879 7.4879 k = 0.0000 0.0454 0.3330 ( 5986 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5918 -20.5918 -20.5918 -20.5918 -15.6326 -15.6326 -15.6326 -15.6326 -3.5237 -3.5237 -3.5237 -3.5237 -2.3901 -2.3901 -2.3901 -2.3901 -1.2642 -1.2642 -1.2642 -1.2642 -0.6904 -0.6904 -0.6904 -0.6904 6.7357 6.7357 6.7357 6.7357 7.4910 7.4910 7.4910 7.4910 k = 0.0000 0.0340 0.3330 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6329 -15.6329 -15.6329 -15.6329 -3.5099 -3.5099 -3.5099 -3.5099 -2.4051 -2.4051 -2.4051 -2.4051 -1.2642 -1.2642 -1.2642 -1.2642 -0.6927 -0.6927 -0.6927 -0.6927 6.7496 6.7496 6.7496 6.7496 7.4935 7.4935 7.4935 7.4935 k = 0.0000 0.0227 0.3330 ( 5998 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6331 -15.6331 -15.6331 -15.6331 -3.4997 -3.4997 -3.4997 -3.4997 -2.4161 -2.4161 -2.4161 -2.4161 -1.2642 -1.2642 -1.2642 -1.2642 -0.6944 -0.6944 -0.6944 -0.6944 6.7597 6.7597 6.7597 6.7597 7.4953 7.4953 7.4953 7.4953 k = 0.0000 0.0113 0.3330 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6332 -15.6332 -15.6332 -15.6332 -3.4934 -3.4934 -3.4934 -3.4934 -2.4229 -2.4229 -2.4229 -2.4229 -1.2642 -1.2642 -1.2642 -1.2642 -0.6955 -0.6955 -0.6955 -0.6955 6.7659 6.7659 6.7659 6.7659 7.4964 7.4964 7.4964 7.4964 k = 0.0000 0.0000 0.3330 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7932 -20.7932 -20.6283 -20.6283 -20.6283 -20.6283 -20.5919 -20.5919 -20.5919 -20.5919 -15.6332 -15.6332 -15.6332 -15.6332 -3.4913 -3.4913 -3.4913 -3.4913 -2.4252 -2.4252 -2.4252 -2.4252 -1.2643 -1.2643 -1.2643 -1.2643 -0.6958 -0.6958 -0.6958 -0.6958 6.7680 6.7680 6.7680 6.7680 7.4967 7.4967 7.4967 7.4967 k = 0.0000 0.3742-0.0000 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7926 -20.7926 -20.6280 -20.6280 -20.6279 -20.6279 -20.5921 -20.5921 -20.5921 -20.5921 -15.6570 -15.6570 -15.6057 -15.6057 -4.0281 -4.0281 -3.9073 -3.9073 -2.0258 -2.0258 -1.8613 -1.8613 -1.2958 -1.2958 -1.2336 -1.2336 -0.7379 -0.7379 -0.0252 -0.0252 5.6415 5.6415 7.0479 7.0479 7.1798 7.1798 7.4510 7.4510 k = 0.0000 0.3742 0.0115 ( 6008 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7927 -20.7927 -20.6280 -20.6280 -20.6279 -20.6279 -20.5922 -20.5922 -20.5921 -20.5921 -15.6569 -15.6569 -15.6057 -15.6057 -4.0284 -4.0284 -3.9077 -3.9077 -2.0252 -2.0252 -1.8611 -1.8611 -1.2957 -1.2957 -1.2336 -1.2336 -0.7379 -0.7379 -0.0261 -0.0261 5.6420 5.6420 7.0459 7.0459 7.1800 7.1800 7.4536 7.4536 k = 0.0000 0.3742 0.0230 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7927 -20.7927 -20.7927 -20.7927 -20.6280 -20.6280 -20.6279 -20.6279 -20.5921 -20.5921 -20.5921 -20.5921 -15.6567 -15.6567 -15.6057 -15.6057 -4.0291 -4.0291 -3.9089 -3.9089 -2.0232 -2.0232 -1.8603 -1.8603 -1.2956 -1.2956 -1.2337 -1.2337 -0.7376 -0.7376 -0.0287 -0.0287 5.6434 5.6434 7.0397 7.0397 7.1805 7.1805 7.4612 7.4612 k = 0.0000 0.3742 0.0345 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7928 -20.7928 -20.7927 -20.7927 -20.6281 -20.6281 -20.6279 -20.6279 -20.5921 -20.5921 -20.5921 -20.5921 -15.6563 -15.6563 -15.6057 -15.6057 -4.0302 -4.0302 -3.9108 -3.9108 -2.0200 -2.0200 -1.8591 -1.8591 -1.2953 -1.2953 -1.2340 -1.2340 -0.7372 -0.7372 -0.0331 -0.0331 5.6458 5.6458 7.0296 7.0296 7.1814 7.1814 7.4739 7.4739 k = 0.0000 0.3742 0.0459 ( 6000 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7928 -20.7928 -20.7927 -20.7927 -20.6281 -20.6281 -20.6280 -20.6280 -20.5921 -20.5921 -20.5921 -20.5921 -15.6557 -15.6557 -15.6056 -15.6056 -4.0319 -4.0319 -3.9134 -3.9134 -2.0155 -2.0155 -1.8574 -1.8574 -1.2950 -1.2950 -1.2343 -1.2343 -0.7367 -0.7367 -0.0392 -0.0392 5.6492 5.6492 7.0157 7.0157 7.1826 7.1826 7.4915 7.4915 k = 0.0000 0.3742 0.0574 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7929 -20.7929 -20.7928 -20.7928 -20.6282 -20.6282 -20.6280 -20.6280 -20.5921 -20.5921 -20.5921 -20.5921 -15.6550 -15.6550 -15.6056 -15.6056 -4.0339 -4.0339 -3.9167 -3.9167 -2.0099 -2.0099 -1.8553 -1.8553 -1.2946 -1.2946 -1.2346 -1.2346 -0.7359 -0.7359 -0.0470 -0.0470 5.6536 5.6536 6.9983 6.9983 7.1843 7.1843 7.5140 7.5140 k = 0.0000 0.3742 0.0689 ( 6010 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7930 -20.7930 -20.7929 -20.7929 -20.6283 -20.6283 -20.6281 -20.6281 -20.5921 -20.5921 -20.5921 -20.5921 -15.6542 -15.6542 -15.6056 -15.6056 -4.0362 -4.0362 -3.9207 -3.9207 -2.0031 -2.0031 -1.8527 -1.8527 -1.2940 -1.2940 -1.2351 -1.2351 -0.7349 -0.7349 -0.0565 -0.0565 5.6592 5.6592 6.9774 6.9774 7.1862 7.1862 7.5412 7.5412 k = 0.0000 0.3742 0.0804 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7931 -20.7931 -20.7929 -20.7929 -20.6284 -20.6284 -20.6282 -20.6282 -20.5921 -20.5921 -20.5920 -20.5920 -15.6532 -15.6532 -15.6055 -15.6055 -4.0390 -4.0390 -3.9253 -3.9253 -1.9953 -1.9953 -1.8497 -1.8497 -1.2934 -1.2934 -1.2356 -1.2356 -0.7336 -0.7336 -0.0675 -0.0675 5.6658 5.6658 6.9536 6.9536 7.1886 7.1886 7.5730 7.5730 k = 0.0000 0.3742 0.0919 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7932 -20.7932 -20.7930 -20.7930 -20.6285 -20.6285 -20.6283 -20.6283 -20.5920 -20.5920 -20.5920 -20.5920 -15.6521 -15.6521 -15.6055 -15.6055 -4.0419 -4.0419 -3.9306 -3.9306 -1.9865 -1.9865 -1.8464 -1.8464 -1.2927 -1.2927 -1.2363 -1.2363 -0.7321 -0.7321 -0.0801 -0.0801 5.6737 5.6737 6.9270 6.9270 7.1913 7.1913 7.5842 7.5842 k = 0.0000 0.3742 0.1034 ( 6006 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7933 -20.7933 -20.7931 -20.7931 -20.6286 -20.6286 -20.6284 -20.6284 -20.5920 -20.5920 -20.5920 -20.5920 -15.6509 -15.6509 -15.6055 -15.6055 -4.0451 -4.0451 -3.9363 -3.9363 -1.9769 -1.9769 -1.8427 -1.8427 -1.2919 -1.2919 -1.2370 -1.2370 -0.7302 -0.7302 -0.0942 -0.0942 5.6828 5.6828 6.8980 6.8980 7.1944 7.1944 7.5766 7.5766 k = 0.0000 0.3742 0.1148 ( 6002 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7934 -20.7934 -20.7932 -20.7932 -20.6287 -20.6287 -20.6285 -20.6285 -20.5920 -20.5920 -20.5919 -20.5919 -15.6495 -15.6495 -15.6055 -15.6055 -4.0485 -4.0485 -3.9426 -3.9426 -1.9665 -1.9665 -1.8388 -1.8388 -1.2910 -1.2910 -1.2377 -1.2377 -0.7278 -0.7278 -0.1096 -0.1096 5.6932 5.6932 6.8669 6.8669 7.1979 7.1979 7.5682 7.5682 k = 0.0000 0.3742 0.1263 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7935 -20.7935 -20.7933 -20.7933 -20.6288 -20.6288 -20.6286 -20.6286 -20.5919 -20.5919 -20.5919 -20.5919 -15.6481 -15.6481 -15.6056 -15.6056 -4.0520 -4.0520 -3.9492 -3.9492 -1.9555 -1.9555 -1.8346 -1.8346 -1.2901 -1.2901 -1.2386 -1.2386 -0.7250 -0.7250 -0.1264 -0.1264 5.7050 5.7050 6.8339 6.8339 7.2018 7.2018 7.5592 7.5592 k = 0.0000 0.3742 0.1378 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7936 -20.7936 -20.7935 -20.7935 -20.6290 -20.6290 -20.6288 -20.6288 -20.5919 -20.5919 -20.5919 -20.5919 -15.6465 -15.6465 -15.6056 -15.6056 -4.0555 -4.0555 -3.9562 -3.9562 -1.9439 -1.9439 -1.8302 -1.8302 -1.2890 -1.2890 -1.2395 -1.2395 -0.7217 -0.7217 -0.1444 -0.1444 5.7182 5.7182 6.7994 6.7994 7.2062 7.2062 7.5495 7.5495 k = 0.0000 0.3742 0.1493 ( 6004 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7938 -20.7938 -20.7936 -20.7936 -20.6291 -20.6291 -20.6289 -20.6289 -20.5918 -20.5918 -20.5918 -20.5918 -15.6449 -15.6449 -15.6057 -15.6057 -4.0589 -4.0589 -3.9635 -3.9635 -1.9320 -1.9320 -1.8256 -1.8256 -1.2879 -1.2879 -1.2405 -1.2405 -0.7178 -0.7178 -0.1635 -0.1635 5.7327 5.7327 6.7635 6.7635 7.2109 7.2109 7.5392 7.5392 k = 0.0000 0.3742 0.1608 ( 6016 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7939 -20.7939 -20.7938 -20.7938 -20.6293 -20.6293 -20.6290 -20.6290 -20.5918 -20.5918 -20.5918 -20.5918 -15.6432 -15.6432 -15.6059 -15.6059 -4.0623 -4.0623 -3.9711 -3.9711 -1.9198 -1.9198 -1.8210 -1.8210 -1.2867 -1.2867 -1.2416 -1.2416 -0.7132 -0.7132 -0.1837 -0.1837 5.7488 5.7488 6.7265 6.7265 7.2161 7.2161 7.5284 7.5284 k = 0.0000 0.3742 0.1723 ( 6010 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7941 -20.7941 -20.7939 -20.7939 -20.6294 -20.6294 -20.6292 -20.6292 -20.5918 -20.5918 -20.5918 -20.5918 -15.6414 -15.6414 -15.6061 -15.6061 -4.0656 -4.0656 -3.9788 -3.9788 -1.9075 -1.9075 -1.8164 -1.8164 -1.2855 -1.2855 -1.2427 -1.2427 -0.7079 -0.7079 -0.2048 -0.2048 5.7662 5.7662 6.6887 6.6887 7.2216 7.2216 7.5172 7.5172 k = 0.0000 0.3742 0.1837 ( 6014 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7942 -20.7942 -20.7940 -20.7940 -20.6295 -20.6295 -20.6293 -20.6293 -20.5917 -20.5917 -20.5917 -20.5917 -15.6396 -15.6396 -15.6063 -15.6063 -4.0686 -4.0686 -3.9866 -3.9866 -1.8952 -1.8952 -1.8118 -1.8118 -1.2841 -1.2841 -1.2439 -1.2439 -0.7018 -0.7018 -0.2267 -0.2267 5.7852 5.7852 6.6503 6.6503 7.2277 7.2277 7.5056 7.5056 k = 0.0000 0.3742 0.1952 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7943 -20.7943 -20.7941 -20.7941 -20.6296 -20.6296 -20.6294 -20.6294 -20.5917 -20.5917 -20.5916 -20.5916 -15.6378 -15.6378 -15.6066 -15.6066 -4.0714 -4.0714 -3.9944 -3.9944 -1.8831 -1.8831 -1.8072 -1.8072 -1.2828 -1.2828 -1.2451 -1.2451 -0.6948 -0.6948 -0.2493 -0.2493 5.8056 5.8056 6.6113 6.6113 7.2341 7.2341 7.4937 7.4937 k = 0.0000 0.3742 0.2067 ( 5994 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7944 -20.7944 -20.7942 -20.7942 -20.6297 -20.6297 -20.6295 -20.6295 -20.5916 -20.5916 -20.5916 -20.5916 -15.6359 -15.6359 -15.6070 -15.6070 -4.0738 -4.0738 -4.0022 -4.0022 -1.8712 -1.8712 -1.8029 -1.8029 -1.2813 -1.2813 -1.2464 -1.2464 -0.6869 -0.6869 -0.2724 -0.2724 5.8274 5.8274 6.5720 6.5720 7.2410 7.2410 7.4815 7.4815 k = 0.0000 0.3742 0.2182 ( 5976 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7945 -20.7945 -20.7943 -20.7943 -20.6298 -20.6298 -20.6296 -20.6296 -20.5916 -20.5916 -20.5915 -20.5915 -15.6340 -15.6340 -15.6075 -15.6075 -4.0759 -4.0759 -4.0099 -4.0099 -1.8598 -1.8598 -1.7988 -1.7988 -1.2799 -1.2799 -1.2478 -1.2478 -0.6780 -0.6780 -0.2960 -0.2960 5.8506 5.8506 6.5325 6.5325 7.2484 7.2484 7.4691 7.4691 k = 0.0000 0.3742 0.2297 ( 5968 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7946 -20.7946 -20.7944 -20.7944 -20.6298 -20.6298 -20.6297 -20.6297 -20.5915 -20.5915 -20.5915 -20.5915 -15.6322 -15.6322 -15.6080 -15.6080 -4.0776 -4.0776 -4.0174 -4.0174 -1.8488 -1.8488 -1.7950 -1.7950 -1.2783 -1.2783 -1.2492 -1.2492 -0.6680 -0.6680 -0.3199 -0.3199 5.8752 5.8752 6.4929 6.4929 7.2562 7.2562 7.4565 7.4565 k = 0.0000 0.3742 0.2412 ( 5964 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7946 -20.7946 -20.7945 -20.7945 -20.6299 -20.6299 -20.6298 -20.6298 -20.5915 -20.5915 -20.5915 -20.5915 -15.6303 -15.6303 -15.6087 -15.6087 -4.0788 -4.0788 -4.0246 -4.0246 -1.8385 -1.8385 -1.7916 -1.7916 -1.2768 -1.2768 -1.2506 -1.2506 -0.6569 -0.6569 -0.3439 -0.3439 5.9012 5.9012 6.4534 6.4534 7.2644 7.2644 7.4438 7.4438 k = 0.0000 0.3742 0.2526 ( 5976 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7948 -20.7948 -20.7946 -20.7946 -20.6301 -20.6301 -20.6299 -20.6299 -20.5915 -20.5915 -20.5915 -20.5915 -15.6285 -15.6285 -15.6094 -15.6094 -4.0795 -4.0795 -4.0317 -4.0317 -1.8289 -1.8289 -1.7887 -1.7887 -1.2752 -1.2752 -1.2522 -1.2522 -0.6447 -0.6447 -0.3680 -0.3680 5.9285 5.9285 6.4141 6.4141 7.2731 7.2731 7.4311 7.4311 k = 0.0000 0.3742 0.2641 ( 5972 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7948 -20.7948 -20.7947 -20.7947 -20.6301 -20.6301 -20.6300 -20.6300 -20.5914 -20.5914 -20.5914 -20.5914 -15.6266 -15.6266 -15.6102 -15.6102 -4.0797 -4.0797 -4.0383 -4.0383 -1.8201 -1.8201 -1.7862 -1.7862 -1.2736 -1.2736 -1.2537 -1.2537 -0.6313 -0.6313 -0.3921 -0.3921 5.9570 5.9570 6.3750 6.3750 7.2822 7.2822 7.4184 7.4184 k = 0.0000 0.3742 0.2756 ( 5970 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7949 -20.7949 -20.7948 -20.7948 -20.6302 -20.6302 -20.6301 -20.6301 -20.5914 -20.5914 -20.5914 -20.5914 -15.6249 -15.6249 -15.6111 -15.6111 -4.0793 -4.0793 -4.0446 -4.0446 -1.8122 -1.8122 -1.7844 -1.7844 -1.2719 -1.2719 -1.2553 -1.2553 -0.6168 -0.6168 -0.4159 -0.4159 5.9867 5.9867 6.3363 6.3363 7.2917 7.2917 7.4058 7.4058 k = 0.0000 0.3742 0.2871 ( 5966 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7949 -20.7949 -20.7949 -20.7949 -20.6302 -20.6302 -20.6301 -20.6301 -20.5914 -20.5914 -20.5914 -20.5914 -15.6232 -15.6232 -15.6121 -15.6121 -4.0784 -4.0784 -4.0505 -4.0505 -1.8052 -1.8052 -1.7833 -1.7833 -1.2702 -1.2702 -1.2569 -1.2569 -0.6010 -0.6010 -0.4393 -0.4393 6.0175 6.0175 6.2981 6.2981 7.3017 7.3017 7.3933 7.3933 k = 0.0000 0.3742 0.2986 ( 5972 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7950 -20.7950 -20.7949 -20.7949 -20.6303 -20.6303 -20.6302 -20.6302 -20.5914 -20.5914 -20.5914 -20.5914 -15.6215 -15.6215 -15.6132 -15.6132 -4.0769 -4.0769 -4.0559 -4.0559 -1.7991 -1.7991 -1.7829 -1.7829 -1.2686 -1.2686 -1.2585 -1.2585 -0.5842 -0.5842 -0.4623 -0.4623 6.0495 6.0495 6.2604 6.2604 7.3120 7.3120 7.3809 7.3809 k = 0.0000 0.3742 0.3101 ( 5980 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7950 -20.7950 -20.7950 -20.7950 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6199 -15.6199 -15.6143 -15.6143 -4.0749 -4.0749 -4.0608 -4.0608 -1.7941 -1.7941 -1.7834 -1.7834 -1.2669 -1.2669 -1.2602 -1.2602 -0.5662 -0.5662 -0.4847 -0.4847 6.0825 6.0825 6.2233 6.2233 7.3227 7.3227 7.3687 7.3687 k = 0.0000 0.3742 0.3215 ( 5988 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7951 -20.7951 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6184 -15.6184 -15.6156 -15.6156 -4.0722 -4.0722 -4.0651 -4.0651 -1.7900 -1.7900 -1.7846 -1.7846 -1.2652 -1.2652 -1.2618 -1.2618 -0.5472 -0.5472 -0.5064 -0.5064 6.1164 6.1164 6.1869 6.1869 7.3337 7.3337 7.3568 7.3568 k = 0.0000 0.3742 0.3330 ( 5992 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -20.7951 -20.7951 -20.7951 -20.7951 -20.6303 -20.6303 -20.6303 -20.6303 -20.5914 -20.5914 -20.5914 -20.5914 -15.6169 -15.6169 -15.6169 -15.6169 -4.0689 -4.0689 -4.0689 -4.0689 -1.7868 -1.7868 -1.7868 -1.7868 -1.2635 -1.2635 -1.2635 -1.2635 -0.5273 -0.5273 -0.5273 -0.5273 6.1512 6.1512 6.1512 6.1512 7.3451 7.3451 7.3451 7.3451 k = 0.5000-0.0000 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7985 -20.7985 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3351 -3.3351 -3.3351 -3.3351 -2.5801 -2.5801 -2.5801 -2.5801 -1.5178 -1.5178 -1.5178 -1.5178 -0.6896 -0.6896 -0.6896 -0.6896 5.4147 5.4147 5.4147 5.4147 7.8649 7.8649 7.8649 7.8649 k = 0.5000-0.0000 0.3215 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7984 -20.7984 -20.6284 -20.6284 -20.6284 -20.6284 -20.6088 -20.6088 -20.6088 -20.6088 -15.5524 -15.5524 -15.5524 -15.5524 -3.3351 -3.3351 -3.3351 -3.3351 -2.5796 -2.5796 -2.5796 -2.5796 -1.5187 -1.5187 -1.5186 -1.5186 -0.6890 -0.6890 -0.6890 -0.6890 5.4159 5.4159 5.4160 5.4160 7.8627 7.8627 7.8628 7.8628 k = 0.5000-0.0000 0.3101 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7985 -20.7985 -20.7984 -20.7984 -20.6283 -20.6283 -20.6283 -20.6283 -20.6088 -20.6088 -20.6088 -20.6088 -15.5525 -15.5525 -15.5525 -15.5525 -3.3352 -3.3352 -3.3352 -3.3352 -2.5782 -2.5782 -2.5782 -2.5782 -1.5212 -1.5212 -1.5211 -1.5211 -0.6872 -0.6872 -0.6871 -0.6871 5.4197 5.4197 5.4198 5.4198 7.8562 7.8562 7.8563 7.8563 k = 0.5000-0.0000 0.2986 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6283 -20.6283 -20.6283 -20.6283 -20.6088 -20.6088 -20.6088 -20.6088 -15.5527 -15.5527 -15.5527 -15.5527 -3.3353 -3.3353 -3.3353 -3.3353 -2.5759 -2.5759 -2.5759 -2.5759 -1.5253 -1.5253 -1.5251 -1.5251 -0.6841 -0.6841 -0.6840 -0.6840 5.4261 5.4261 5.4262 5.4262 7.8454 7.8454 7.8456 7.8456 k = 0.5000-0.0000 0.2871 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7984 -20.7984 -20.7984 -20.7984 -20.6282 -20.6282 -20.6282 -20.6282 -20.6088 -20.6088 -20.6088 -20.6088 -15.5530 -15.5530 -15.5530 -15.5530 -3.3355 -3.3355 -3.3355 -3.3355 -2.5727 -2.5727 -2.5727 -2.5727 -1.5309 -1.5309 -1.5307 -1.5307 -0.6799 -0.6799 -0.6798 -0.6798 5.4350 5.4350 5.4351 5.4351 7.8304 7.8304 7.8307 7.8307 k = 0.5000-0.0000 0.2756 ( 5990 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7983 -20.7983 -20.6281 -20.6281 -20.6281 -20.6281 -20.6089 -20.6089 -20.6089 -20.6089 -15.5534 -15.5534 -15.5534 -15.5534 -3.3357 -3.3357 -3.3357 -3.3357 -2.5685 -2.5685 -2.5685 -2.5685 -1.5380 -1.5380 -1.5378 -1.5378 -0.6747 -0.6747 -0.6745 -0.6745 5.4463 5.4463 5.4466 5.4466 7.8114 7.8114 7.8118 7.8118 k = 0.5000-0.0000 0.2641 ( 5988 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7983 -20.7983 -20.7982 -20.7982 -20.6280 -20.6280 -20.6279 -20.6279 -20.6089 -20.6089 -20.6089 -20.6089 -15.5538 -15.5538 -15.5538 -15.5538 -3.3360 -3.3360 -3.3360 -3.3360 -2.5635 -2.5635 -2.5635 -2.5635 -1.5465 -1.5465 -1.5462 -1.5462 -0.6685 -0.6685 -0.6683 -0.6683 5.4602 5.4602 5.4605 5.4605 7.7884 7.7884 7.7888 7.7888 k = 0.5000-0.0000 0.2526 ( 5986 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7982 -20.7982 -20.7981 -20.7981 -20.6279 -20.6279 -20.6278 -20.6278 -20.6090 -20.6090 -20.6090 -20.6090 -15.5542 -15.5542 -15.5542 -15.5542 -3.3363 -3.3363 -3.3363 -3.3363 -2.5577 -2.5577 -2.5577 -2.5577 -1.5561 -1.5561 -1.5558 -1.5558 -0.6614 -0.6614 -0.6612 -0.6612 5.4765 5.4765 5.4769 5.4769 7.7616 7.7616 7.7621 7.7621 k = 0.5000-0.0000 0.2412 ( 5986 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7980 -20.7980 -20.6278 -20.6278 -20.6276 -20.6276 -20.6090 -20.6090 -20.6090 -20.6090 -15.5548 -15.5548 -15.5548 -15.5548 -3.3367 -3.3367 -3.3366 -3.3366 -2.5511 -2.5511 -2.5511 -2.5511 -1.5669 -1.5669 -1.5666 -1.5666 -0.6537 -0.6537 -0.6534 -0.6534 5.4952 5.4952 5.4956 5.4956 7.7311 7.7311 7.7317 7.7317 k = 0.5000-0.0000 0.2297 ( 5988 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7980 -20.7980 -20.6276 -20.6276 -20.6275 -20.6275 -20.6091 -20.6091 -20.6091 -20.6091 -15.5554 -15.5554 -15.5554 -15.5554 -3.3371 -3.3371 -3.3370 -3.3370 -2.5438 -2.5438 -2.5438 -2.5438 -1.5787 -1.5787 -1.5784 -1.5784 -0.6453 -0.6453 -0.6451 -0.6451 5.5163 5.5163 5.5167 5.5167 7.6973 7.6973 7.6979 7.6979 k = 0.5000-0.0000 0.2182 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7980 -20.7980 -20.7979 -20.7979 -20.6275 -20.6275 -20.6273 -20.6273 -20.6092 -20.6092 -20.6092 -20.6092 -15.5560 -15.5560 -15.5560 -15.5560 -3.3375 -3.3375 -3.3374 -3.3374 -2.5358 -2.5358 -2.5358 -2.5358 -1.5913 -1.5913 -1.5910 -1.5910 -0.6365 -0.6365 -0.6363 -0.6363 5.5396 5.5396 5.5401 5.5401 7.6603 7.6603 7.6610 7.6610 k = 0.5000-0.0000 0.2067 ( 5988 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7979 -20.7979 -20.7978 -20.7978 -20.6273 -20.6273 -20.6271 -20.6271 -20.6093 -20.6093 -20.6093 -20.6093 -15.5567 -15.5567 -15.5566 -15.5566 -3.3379 -3.3379 -3.3379 -3.3379 -2.5271 -2.5271 -2.5271 -2.5271 -1.6047 -1.6047 -1.6043 -1.6043 -0.6274 -0.6274 -0.6271 -0.6271 5.5652 5.5652 5.5657 5.5657 7.6203 7.6203 7.6211 7.6211 k = 0.5000-0.0000 0.1952 ( 5994 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7978 -20.7978 -20.7977 -20.7977 -20.6271 -20.6271 -20.6269 -20.6269 -20.6094 -20.6094 -20.6094 -20.6094 -15.5574 -15.5574 -15.5573 -15.5573 -3.3384 -3.3384 -3.3383 -3.3383 -2.5180 -2.5180 -2.5179 -2.5179 -1.6186 -1.6186 -1.6181 -1.6181 -0.6180 -0.6180 -0.6177 -0.6177 5.5929 5.5929 5.5934 5.5934 7.5777 7.5777 7.5785 7.5785 k = 0.5000-0.0000 0.1837 ( 5998 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7977 -20.7977 -20.7976 -20.7976 -20.6269 -20.6269 -20.6268 -20.6268 -20.6095 -20.6095 -20.6095 -20.6095 -15.5581 -15.5581 -15.5581 -15.5581 -3.3388 -3.3388 -3.3388 -3.3388 -2.5083 -2.5083 -2.5082 -2.5082 -1.6329 -1.6329 -1.6324 -1.6324 -0.6086 -0.6086 -0.6083 -0.6083 5.6226 5.6226 5.6232 5.6232 7.5327 7.5327 7.5335 7.5335 k = 0.5000-0.0000 0.1723 ( 6002 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7976 -20.7976 -20.7975 -20.7975 -20.6267 -20.6267 -20.6266 -20.6266 -20.6096 -20.6096 -20.6096 -20.6096 -15.5588 -15.5588 -15.5588 -15.5588 -3.3393 -3.3393 -3.3393 -3.3393 -2.4982 -2.4982 -2.4982 -2.4982 -1.6475 -1.6475 -1.6470 -1.6470 -0.5992 -0.5992 -0.5989 -0.5989 5.6542 5.6542 5.6548 5.6548 7.4855 7.4855 7.4864 7.4864 k = 0.5000-0.0000 0.1608 ( 5998 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7975 -20.7975 -20.7974 -20.7974 -20.6265 -20.6265 -20.6263 -20.6263 -20.6097 -20.6097 -20.6096 -20.6096 -15.5595 -15.5595 -15.5595 -15.5595 -3.3398 -3.3398 -3.3397 -3.3397 -2.4878 -2.4878 -2.4878 -2.4878 -1.6622 -1.6622 -1.6618 -1.6618 -0.5899 -0.5899 -0.5896 -0.5896 5.6876 5.6876 5.6883 5.6883 7.4366 7.4366 7.4375 7.4375 k = 0.5000-0.0000 0.1493 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7974 -20.7974 -20.7973 -20.7973 -20.6263 -20.6263 -20.6261 -20.6261 -20.6098 -20.6098 -20.6097 -20.6097 -15.5603 -15.5603 -15.5603 -15.5603 -3.3403 -3.3403 -3.3402 -3.3402 -2.4772 -2.4772 -2.4772 -2.4772 -1.6770 -1.6770 -1.6765 -1.6765 -0.5808 -0.5808 -0.5805 -0.5805 5.7227 5.7227 5.7233 5.7233 7.3863 7.3863 7.3872 7.3872 k = 0.5000-0.0000 0.1378 ( 5994 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7973 -20.7973 -20.7972 -20.7972 -20.6260 -20.6260 -20.6259 -20.6259 -20.6098 -20.6098 -20.6098 -20.6098 -15.5610 -15.5610 -15.5610 -15.5610 -3.3407 -3.3407 -3.3407 -3.3407 -2.4666 -2.4666 -2.4665 -2.4665 -1.6915 -1.6915 -1.6911 -1.6911 -0.5720 -0.5720 -0.5718 -0.5718 5.7591 5.7591 5.7598 5.7598 7.3349 7.3349 7.3358 7.3358 k = 0.5000-0.0000 0.1263 ( 6002 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7972 -20.7972 -20.7971 -20.7971 -20.6259 -20.6259 -20.6257 -20.6257 -20.6100 -20.6100 -20.6099 -20.6099 -15.5617 -15.5617 -15.5617 -15.5617 -3.3412 -3.3412 -3.3411 -3.3411 -2.4559 -2.4559 -2.4559 -2.4559 -1.7059 -1.7059 -1.7055 -1.7055 -0.5637 -0.5637 -0.5634 -0.5634 5.7968 5.7968 5.7975 5.7975 7.2828 7.2828 7.2837 7.2837 k = 0.5000-0.0000 0.1148 ( 6006 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7971 -20.7971 -20.7970 -20.7970 -20.6257 -20.6257 -20.6255 -20.6255 -20.6101 -20.6101 -20.6100 -20.6100 -15.5623 -15.5623 -15.5623 -15.5623 -3.3416 -3.3416 -3.3415 -3.3415 -2.4454 -2.4454 -2.4454 -2.4454 -1.7197 -1.7197 -1.7193 -1.7193 -0.5558 -0.5558 -0.5556 -0.5556 5.8353 5.8353 5.8360 5.8360 7.2305 7.2305 7.2315 7.2315 k = 0.5000-0.0000 0.1034 ( 6006 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7971 -20.7971 -20.7970 -20.7970 -20.6255 -20.6255 -20.6254 -20.6254 -20.6102 -20.6102 -20.6101 -20.6101 -15.5630 -15.5630 -15.5630 -15.5630 -3.3420 -3.3420 -3.3419 -3.3419 -2.4352 -2.4352 -2.4352 -2.4352 -1.7330 -1.7330 -1.7326 -1.7326 -0.5485 -0.5485 -0.5483 -0.5483 5.8744 5.8744 5.8751 5.8751 7.1785 7.1785 7.1795 7.1795 k = 0.5000-0.0000 0.0919 ( 6020 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7970 -20.7970 -20.7969 -20.7969 -20.6253 -20.6253 -20.6252 -20.6252 -20.6103 -20.6103 -20.6103 -20.6103 -15.5636 -15.5636 -15.5635 -15.5635 -3.3424 -3.3424 -3.3423 -3.3423 -2.4255 -2.4255 -2.4254 -2.4254 -1.7455 -1.7455 -1.7452 -1.7452 -0.5418 -0.5418 -0.5416 -0.5416 5.9136 5.9136 5.9143 5.9143 7.1274 7.1274 7.1283 7.1283 k = 0.5000-0.0000 0.0804 ( 6016 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7969 -20.7969 -20.7968 -20.7968 -20.6252 -20.6252 -20.6250 -20.6250 -20.6104 -20.6104 -20.6103 -20.6103 -15.5641 -15.5641 -15.5641 -15.5641 -3.3427 -3.3427 -3.3426 -3.3426 -2.4164 -2.4164 -2.4163 -2.4163 -1.7571 -1.7571 -1.7568 -1.7568 -0.5357 -0.5357 -0.5355 -0.5355 5.9523 5.9523 5.9530 5.9530 7.0779 7.0779 7.0788 7.0788 k = 0.5000-0.0000 0.0689 ( 6018 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7969 -20.7969 -20.7968 -20.7968 -20.6250 -20.6250 -20.6249 -20.6249 -20.6104 -20.6104 -20.6104 -20.6104 -15.5646 -15.5646 -15.5646 -15.5646 -3.3430 -3.3430 -3.3430 -3.3430 -2.4080 -2.4080 -2.4079 -2.4079 -1.7676 -1.7676 -1.7673 -1.7673 -0.5304 -0.5304 -0.5302 -0.5302 5.9899 5.9899 5.9905 5.9905 7.0308 7.0308 7.0316 7.0316 k = 0.5000-0.0000 0.0574 ( 6026 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7968 -20.7968 -20.7967 -20.7967 -20.6249 -20.6249 -20.6248 -20.6248 -20.6105 -20.6105 -20.6105 -20.6105 -15.5650 -15.5650 -15.5650 -15.5650 -3.3433 -3.3433 -3.3432 -3.3432 -2.4006 -2.4006 -2.4005 -2.4005 -1.7768 -1.7768 -1.7766 -1.7766 -0.5258 -0.5258 -0.5256 -0.5256 6.0253 6.0253 6.0259 6.0259 6.9870 6.9870 6.9878 6.9878 k = 0.5000-0.0000 0.0459 ( 6030 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7968 -20.7968 -20.7967 -20.7967 -20.6248 -20.6248 -20.6247 -20.6247 -20.6106 -20.6106 -20.6106 -20.6106 -15.5653 -15.5653 -15.5653 -15.5653 -3.3435 -3.3435 -3.3434 -3.3434 -2.3942 -2.3942 -2.3942 -2.3942 -1.7847 -1.7847 -1.7845 -1.7845 -0.5219 -0.5219 -0.5218 -0.5218 6.0575 6.0575 6.0580 6.0580 6.9480 6.9480 6.9487 6.9487 k = 0.5000-0.0000 0.0345 ( 6026 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7967 -20.7967 -20.6247 -20.6247 -20.6246 -20.6246 -20.6106 -20.6106 -20.6106 -20.6106 -15.5656 -15.5656 -15.5656 -15.5656 -3.3436 -3.3436 -3.3436 -3.3436 -2.3891 -2.3891 -2.3890 -2.3890 -1.7909 -1.7909 -1.7907 -1.7907 -0.5190 -0.5190 -0.5189 -0.5189 6.0851 6.0851 6.0855 6.0855 6.9151 6.9151 6.9156 6.9156 k = 0.5000-0.0000 0.0230 ( 6022 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7967 -20.7967 -20.7966 -20.7966 -20.6246 -20.6246 -20.6245 -20.6245 -20.6107 -20.6107 -20.6107 -20.6107 -15.5658 -15.5658 -15.5658 -15.5658 -3.3438 -3.3438 -3.3437 -3.3437 -2.3853 -2.3853 -2.3853 -2.3853 -1.7954 -1.7954 -1.7953 -1.7953 -0.5168 -0.5168 -0.5167 -0.5167 6.1064 6.1064 6.1067 6.1067 6.8900 6.8900 6.8903 6.8903 k = 0.5000-0.0000 0.0115 ( 6014 PWs) bands (ev): -48.7446 -48.7446 -48.7446 -48.7446 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6107 -20.6107 -20.6107 -20.6107 -15.5659 -15.5659 -15.5659 -15.5659 -3.3438 -3.3438 -3.3438 -3.3438 -2.3830 -2.3830 -2.3830 -2.3830 -1.7982 -1.7982 -1.7981 -1.7981 -0.5155 -0.5155 -0.5155 -0.5155 6.1200 6.1200 6.1202 6.1202 6.8741 6.8741 6.8743 6.8743 k = 0.5000-0.0000-0.0000 ( 6002 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7966 -20.7966 -20.7966 -20.7966 -20.6245 -20.6245 -20.6245 -20.6245 -20.6106 -20.6106 -20.6106 -20.6106 -15.5659 -15.5659 -15.5659 -15.5659 -3.3438 -3.3438 -3.3438 -3.3438 -2.3822 -2.3822 -2.3822 -2.3822 -1.7991 -1.7991 -1.7991 -1.7991 -0.5150 -0.5150 -0.5150 -0.5150 6.1248 6.1248 6.1248 6.1248 6.8688 6.8688 6.8688 6.8688 k = 0.5000 0.3742-0.0000 ( 6012 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6253 -20.6253 -20.6253 -20.6253 -20.6095 -20.6095 -20.6095 -20.6095 -15.5666 -15.5666 -15.5666 -15.5666 -3.6876 -3.6876 -3.6876 -3.6876 -2.0445 -2.0445 -2.0445 -2.0445 -1.7487 -1.7487 -1.7487 -1.7487 -0.2286 -0.2286 -0.2286 -0.2286 5.3587 5.3587 5.3587 5.3587 6.1413 6.1413 6.1413 6.1413 k = 0.5000 0.3742 0.0115 ( 6008 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6254 -20.6254 -20.6253 -20.6253 -20.6096 -20.6096 -20.6095 -20.6095 -15.5666 -15.5666 -15.5666 -15.5666 -3.6874 -3.6874 -3.6874 -3.6874 -2.0450 -2.0450 -2.0449 -2.0449 -1.7491 -1.7491 -1.7490 -1.7490 -0.2285 -0.2285 -0.2285 -0.2285 5.3579 5.3579 5.3580 5.3580 6.1436 6.1436 6.1436 6.1436 k = 0.5000 0.3742 0.0230 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7966 -20.7966 -20.6254 -20.6254 -20.6253 -20.6253 -20.6096 -20.6096 -20.6095 -20.6095 -15.5665 -15.5665 -15.5665 -15.5665 -3.6867 -3.6867 -3.6867 -3.6867 -2.0463 -2.0463 -2.0462 -2.0462 -1.7501 -1.7501 -1.7499 -1.7499 -0.2281 -0.2281 -0.2280 -0.2280 5.3557 5.3557 5.3559 5.3559 6.1504 6.1504 6.1505 6.1505 k = 0.5000 0.3742 0.0345 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6254 -20.6254 -20.6253 -20.6253 -20.6096 -20.6096 -20.6095 -20.6095 -15.5663 -15.5663 -15.5663 -15.5663 -3.6856 -3.6856 -3.6856 -3.6856 -2.0486 -2.0486 -2.0484 -2.0484 -1.7517 -1.7517 -1.7515 -1.7515 -0.2274 -0.2274 -0.2273 -0.2273 5.3521 5.3521 5.3524 5.3524 6.1615 6.1615 6.1617 6.1617 k = 0.5000 0.3742 0.0459 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7967 -20.7967 -20.7967 -20.7967 -20.6255 -20.6255 -20.6253 -20.6253 -20.6096 -20.6096 -20.6095 -20.6095 -15.5660 -15.5660 -15.5660 -15.5660 -3.6841 -3.6841 -3.6841 -3.6841 -2.0516 -2.0516 -2.0514 -2.0514 -1.7539 -1.7539 -1.7536 -1.7536 -0.2264 -0.2264 -0.2263 -0.2263 5.3474 5.3474 5.3478 5.3478 6.1768 6.1768 6.1770 6.1770 k = 0.5000 0.3742 0.0574 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7968 -20.7968 -20.7967 -20.7967 -20.6256 -20.6256 -20.6253 -20.6253 -20.6097 -20.6097 -20.6095 -20.6095 -15.5657 -15.5657 -15.5657 -15.5657 -3.6822 -3.6822 -3.6822 -3.6822 -2.0555 -2.0555 -2.0552 -2.0552 -1.7566 -1.7566 -1.7563 -1.7563 -0.2252 -0.2252 -0.2251 -0.2251 5.3418 5.3418 5.3422 5.3422 6.1958 6.1958 6.1962 6.1962 k = 0.5000 0.3742 0.0689 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7968 -20.7968 -20.7967 -20.7967 -20.6256 -20.6256 -20.6253 -20.6253 -20.6097 -20.6097 -20.6095 -20.6095 -15.5653 -15.5653 -15.5653 -15.5653 -3.6798 -3.6798 -3.6798 -3.6798 -2.0601 -2.0601 -2.0598 -2.0598 -1.7599 -1.7599 -1.7595 -1.7595 -0.2238 -0.2238 -0.2236 -0.2236 5.3355 5.3355 5.3359 5.3359 6.2184 6.2184 6.2187 6.2187 k = 0.5000 0.3742 0.0804 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7969 -20.7969 -20.7968 -20.7968 -20.6257 -20.6257 -20.6254 -20.6254 -20.6097 -20.6097 -20.6095 -20.6095 -15.5648 -15.5648 -15.5648 -15.5648 -3.6771 -3.6771 -3.6771 -3.6771 -2.0655 -2.0655 -2.0651 -2.0651 -1.7637 -1.7637 -1.7632 -1.7632 -0.2221 -0.2221 -0.2220 -0.2220 5.3287 5.3287 5.3292 5.3292 6.2439 6.2439 6.2443 6.2443 k = 0.5000 0.3742 0.0919 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7970 -20.7970 -20.7968 -20.7968 -20.6258 -20.6258 -20.6255 -20.6255 -20.6098 -20.6098 -20.6096 -20.6096 -15.5643 -15.5643 -15.5643 -15.5643 -3.6740 -3.6740 -3.6740 -3.6740 -2.0715 -2.0715 -2.0710 -2.0710 -1.7679 -1.7679 -1.7674 -1.7674 -0.2203 -0.2203 -0.2201 -0.2201 5.3216 5.3216 5.3221 5.3221 6.2722 6.2722 6.2726 6.2726 k = 0.5000 0.3742 0.1034 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7970 -20.7970 -20.7969 -20.7969 -20.6259 -20.6259 -20.6255 -20.6255 -20.6098 -20.6098 -20.6096 -20.6096 -15.5637 -15.5637 -15.5637 -15.5637 -3.6706 -3.6706 -3.6706 -3.6706 -2.0781 -2.0781 -2.0776 -2.0776 -1.7726 -1.7726 -1.7720 -1.7720 -0.2183 -0.2183 -0.2181 -0.2181 5.3145 5.3145 5.3151 5.3151 6.3026 6.3026 6.3030 6.3030 k = 0.5000 0.3742 0.1148 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7971 -20.7971 -20.7969 -20.7969 -20.6259 -20.6259 -20.6256 -20.6256 -20.6098 -20.6098 -20.6096 -20.6096 -15.5631 -15.5631 -15.5631 -15.5631 -3.6670 -3.6670 -3.6670 -3.6670 -2.0852 -2.0852 -2.0847 -2.0847 -1.7775 -1.7775 -1.7769 -1.7769 -0.2161 -0.2161 -0.2159 -0.2159 5.3075 5.3075 5.3081 5.3081 6.3349 6.3349 6.3353 6.3353 k = 0.5000 0.3742 0.1263 ( 6008 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7972 -20.7972 -20.7971 -20.7971 -20.6261 -20.6261 -20.6257 -20.6257 -20.6099 -20.6099 -20.6097 -20.6097 -15.5624 -15.5624 -15.5624 -15.5624 -3.6631 -3.6631 -3.6631 -3.6631 -2.0927 -2.0927 -2.0922 -2.0922 -1.7827 -1.7827 -1.7821 -1.7821 -0.2139 -0.2139 -0.2137 -0.2137 5.3007 5.3007 5.3013 5.3013 6.3686 6.3686 6.3690 6.3690 k = 0.5000 0.3742 0.1378 ( 6004 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7973 -20.7973 -20.7971 -20.7971 -20.6262 -20.6262 -20.6258 -20.6258 -20.6099 -20.6099 -20.6097 -20.6097 -15.5617 -15.5617 -15.5617 -15.5617 -3.6589 -3.6589 -3.6589 -3.6589 -2.1006 -2.1006 -2.1000 -2.1000 -1.7881 -1.7881 -1.7875 -1.7875 -0.2116 -0.2116 -0.2114 -0.2114 5.2943 5.2943 5.2949 5.2949 6.4033 6.4033 6.4038 6.4038 k = 0.5000 0.3742 0.1493 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7973 -20.7973 -20.7972 -20.7972 -20.6262 -20.6262 -20.6258 -20.6258 -20.6100 -20.6100 -20.6098 -20.6098 -15.5610 -15.5610 -15.5610 -15.5610 -3.6547 -3.6547 -3.6547 -3.6547 -2.1088 -2.1088 -2.1082 -2.1082 -1.7937 -1.7937 -1.7930 -1.7930 -0.2092 -0.2092 -0.2090 -0.2090 5.2883 5.2883 5.2889 5.2889 6.4387 6.4387 6.4391 6.4391 k = 0.5000 0.3742 0.1608 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7974 -20.7974 -20.7972 -20.7972 -20.6263 -20.6263 -20.6259 -20.6259 -20.6101 -20.6101 -20.6098 -20.6098 -15.5603 -15.5603 -15.5603 -15.5603 -3.6503 -3.6503 -3.6503 -3.6503 -2.1171 -2.1171 -2.1165 -2.1165 -1.7993 -1.7993 -1.7986 -1.7986 -0.2069 -0.2069 -0.2067 -0.2067 5.2828 5.2828 5.2834 5.2834 6.4744 6.4744 6.4748 6.4748 k = 0.5000 0.3742 0.1723 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7974 -20.7974 -20.7973 -20.7973 -20.6264 -20.6264 -20.6260 -20.6260 -20.6101 -20.6101 -20.6098 -20.6098 -15.5596 -15.5596 -15.5596 -15.5596 -3.6458 -3.6458 -3.6458 -3.6458 -2.1254 -2.1254 -2.1248 -2.1248 -1.8050 -1.8050 -1.8043 -1.8043 -0.2045 -0.2045 -0.2043 -0.2043 5.2778 5.2778 5.2783 5.2783 6.5100 6.5100 6.5104 6.5104 k = 0.5000 0.3742 0.1837 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7975 -20.7975 -20.7974 -20.7974 -20.6265 -20.6265 -20.6261 -20.6261 -20.6101 -20.6101 -20.6099 -20.6099 -15.5588 -15.5588 -15.5588 -15.5588 -3.6413 -3.6413 -3.6413 -3.6413 -2.1337 -2.1337 -2.1332 -2.1332 -1.8105 -1.8105 -1.8099 -1.8099 -0.2022 -0.2022 -0.2020 -0.2020 5.2733 5.2733 5.2738 5.2738 6.5452 6.5452 6.5455 6.5455 k = 0.5000 0.3742 0.1952 ( 5980 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7976 -20.7976 -20.7974 -20.7974 -20.6265 -20.6265 -20.6261 -20.6261 -20.6102 -20.6102 -20.6099 -20.6099 -15.5581 -15.5581 -15.5581 -15.5581 -3.6369 -3.6369 -3.6369 -3.6369 -2.1420 -2.1420 -2.1414 -2.1414 -1.8160 -1.8160 -1.8154 -1.8154 -0.2000 -0.2000 -0.1998 -0.1998 5.2693 5.2693 5.2698 5.2698 6.5796 6.5796 6.5799 6.5799 k = 0.5000 0.3742 0.2067 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7976 -20.7976 -20.7975 -20.7975 -20.6266 -20.6266 -20.6262 -20.6262 -20.6102 -20.6102 -20.6100 -20.6100 -15.5574 -15.5574 -15.5574 -15.5574 -3.6326 -3.6326 -3.6325 -3.6325 -2.1499 -2.1499 -2.1494 -2.1494 -1.8213 -1.8213 -1.8207 -1.8207 -0.1979 -0.1979 -0.1977 -0.1977 5.2659 5.2659 5.2663 5.2663 6.6128 6.6128 6.6131 6.6131 k = 0.5000 0.3742 0.2182 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7977 -20.7977 -20.7976 -20.7976 -20.6267 -20.6267 -20.6263 -20.6263 -20.6102 -20.6102 -20.6100 -20.6100 -15.5568 -15.5568 -15.5568 -15.5568 -3.6284 -3.6284 -3.6284 -3.6284 -2.1576 -2.1576 -2.1571 -2.1571 -1.8263 -1.8263 -1.8258 -1.8258 -0.1958 -0.1958 -0.1957 -0.1957 5.2629 5.2629 5.2633 5.2633 6.6445 6.6445 6.6448 6.6448 k = 0.5000 0.3742 0.2297 ( 5976 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7978 -20.7978 -20.7976 -20.7976 -20.6267 -20.6267 -20.6264 -20.6264 -20.6103 -20.6103 -20.6100 -20.6100 -15.5562 -15.5562 -15.5561 -15.5561 -3.6244 -3.6244 -3.6244 -3.6244 -2.1649 -2.1649 -2.1644 -2.1644 -1.8311 -1.8311 -1.8306 -1.8306 -0.1939 -0.1939 -0.1938 -0.1938 5.2603 5.2603 5.2607 5.2607 6.6744 6.6744 6.6747 6.6747 k = 0.5000 0.3742 0.2412 ( 5984 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7978 -20.7978 -20.7977 -20.7977 -20.6268 -20.6268 -20.6265 -20.6265 -20.6103 -20.6103 -20.6101 -20.6101 -15.5556 -15.5556 -15.5556 -15.5556 -3.6206 -3.6206 -3.6206 -3.6206 -2.1716 -2.1716 -2.1712 -2.1712 -1.8355 -1.8355 -1.8350 -1.8350 -0.1922 -0.1922 -0.1920 -0.1920 5.2582 5.2582 5.2586 5.2586 6.7022 6.7022 6.7024 6.7024 k = 0.5000 0.3742 0.2526 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7979 -20.7979 -20.7978 -20.7978 -20.6269 -20.6269 -20.6266 -20.6266 -20.6103 -20.6103 -20.6102 -20.6102 -15.5551 -15.5551 -15.5550 -15.5550 -3.6172 -3.6172 -3.6172 -3.6172 -2.1778 -2.1778 -2.1774 -2.1774 -1.8395 -1.8395 -1.8391 -1.8391 -0.1906 -0.1906 -0.1905 -0.1905 5.2564 5.2564 5.2567 5.2567 6.7275 6.7275 6.7277 6.7277 k = 0.5000 0.3742 0.2641 ( 5988 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7979 -20.7979 -20.7979 -20.7979 -20.6269 -20.6269 -20.6267 -20.6267 -20.6104 -20.6104 -20.6102 -20.6102 -15.5546 -15.5546 -15.5546 -15.5546 -3.6141 -3.6141 -3.6141 -3.6141 -2.1833 -2.1833 -2.1829 -2.1829 -1.8430 -1.8430 -1.8427 -1.8427 -0.1892 -0.1892 -0.1891 -0.1891 5.2550 5.2550 5.2553 5.2553 6.7501 6.7501 6.7503 6.7503 k = 0.5000 0.3742 0.2756 ( 5980 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7980 -20.7980 -20.7979 -20.7979 -20.6269 -20.6269 -20.6267 -20.6267 -20.6104 -20.6104 -20.6102 -20.6102 -15.5542 -15.5542 -15.5542 -15.5542 -3.6114 -3.6114 -3.6114 -3.6114 -2.1881 -2.1881 -2.1878 -2.1878 -1.8461 -1.8461 -1.8458 -1.8458 -0.1880 -0.1880 -0.1879 -0.1879 5.2539 5.2539 5.2541 5.2541 6.7697 6.7697 6.7698 6.7698 k = 0.5000 0.3742 0.2871 ( 5988 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7980 -20.7980 -20.7979 -20.7979 -20.6270 -20.6270 -20.6268 -20.6268 -20.6104 -20.6104 -20.6103 -20.6103 -15.5538 -15.5538 -15.5538 -15.5538 -3.6092 -3.6092 -3.6092 -3.6092 -2.1921 -2.1921 -2.1918 -2.1918 -1.8487 -1.8487 -1.8484 -1.8484 -0.1870 -0.1870 -0.1869 -0.1869 5.2530 5.2530 5.2532 5.2532 6.7861 6.7861 6.7862 6.7862 k = 0.5000 0.3742 0.2986 ( 5992 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7980 -20.7980 -20.7980 -20.7980 -20.6270 -20.6270 -20.6269 -20.6269 -20.6104 -20.6104 -20.6103 -20.6103 -15.5536 -15.5536 -15.5536 -15.5536 -3.6074 -3.6074 -3.6074 -3.6074 -2.1952 -2.1952 -2.1950 -2.1950 -1.8507 -1.8507 -1.8505 -1.8505 -0.1862 -0.1862 -0.1862 -0.1862 5.2523 5.2523 5.2525 5.2525 6.7990 6.7990 6.7991 6.7991 k = 0.5000 0.3742 0.3101 ( 5996 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7980 -20.7980 -20.6270 -20.6270 -20.6269 -20.6269 -20.6104 -20.6104 -20.6104 -20.6104 -15.5534 -15.5534 -15.5534 -15.5534 -3.6061 -3.6061 -3.6061 -3.6061 -2.1975 -2.1975 -2.1974 -2.1974 -1.8521 -1.8521 -1.8520 -1.8520 -0.1857 -0.1857 -0.1856 -0.1856 5.2519 5.2519 5.2520 5.2520 6.8084 6.8084 6.8085 6.8085 k = 0.5000 0.3742 0.3215 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5533 -15.5533 -15.5533 -15.5533 -3.6053 -3.6053 -3.6053 -3.6053 -2.1989 -2.1989 -2.1988 -2.1988 -1.8530 -1.8530 -1.8529 -1.8529 -0.1853 -0.1853 -0.1853 -0.1853 5.2516 5.2516 5.2517 5.2517 6.8141 6.8141 6.8141 6.8141 k = 0.5000 0.3742 0.3330 ( 6000 PWs) bands (ev): -48.7445 -48.7445 -48.7445 -48.7445 -20.7981 -20.7981 -20.7981 -20.7981 -20.6270 -20.6270 -20.6270 -20.6270 -20.6104 -20.6104 -20.6104 -20.6104 -15.5532 -15.5532 -15.5532 -15.5532 -3.6050 -3.6050 -3.6050 -3.6050 -2.1993 -2.1993 -2.1993 -2.1993 -1.8533 -1.8533 -1.8533 -1.8533 -0.1852 -0.1852 -0.1852 -0.1852 5.2516 5.2516 5.2516 5.2516 6.8160 6.8160 6.8160 6.8160 Writing output data file NaCN.save init_run : 0.17s CPU 0.54s WALL ( 1 calls) electrons : 115.79s CPU 118.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 115.78s CPU 118.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 436 calls) cegterg : 102.94s CPU 104.37s WALL ( 441 calls) Called by sum_band: Called by *egterg: h_psi : 68.36s CPU 69.60s WALL ( 6002 calls) s_psi : 1.93s CPU 1.91s WALL ( 6002 calls) g_psi : 0.26s CPU 0.29s WALL ( 5125 calls) cdiaghg : 27.56s CPU 28.11s WALL ( 5561 calls) cegterg:over : 5.26s CPU 5.29s WALL ( 5125 calls) cegterg:upda : 4.29s CPU 4.32s WALL ( 5125 calls) cegterg:last : 3.17s CPU 3.15s WALL ( 1313 calls) cdiaghg:chol : 1.50s CPU 1.60s WALL ( 5561 calls) cdiaghg:inve : 0.80s CPU 0.78s WALL ( 5561 calls) cdiaghg:para : 1.54s CPU 1.72s WALL ( 11122 calls) Called by h_psi: h_psi:vloc : 62.62s CPU 63.86s WALL ( 6002 calls) h_psi:vnl : 5.49s CPU 5.48s WALL ( 6002 calls) add_vuspsi : 2.06s CPU 2.21s WALL ( 6002 calls) General routines calbec : 3.40s CPU 3.26s WALL ( 6002 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.19s CPU 60.26s WALL ( 685648 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.35s WALL ( 872 calls) Parallel routines fft_scatter : 22.26s CPU 22.82s WALL ( 685671 calls) PWSCF : 2m17.66s CPU 2m51.18s WALL This run was terminated on: 17:12:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=