Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 5:44 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: ./KAgC2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized 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 26 7 1761 742 119 Max 46 27 8 1768 759 124 Sum 1649 941 285 63553 26967 4411 bravais-lattice index = 14 lattice parameter (alat) = 7.9873 a.u. unit-cell volume = 637.3950 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.987305 celldm(2)= 1.000000 celldm(3)= 1.250858 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.250858 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.799451 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 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 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) C 4.00 12.01070 C( 1.00) Ag 11.00 107.86820 Ag( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 357 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0028011 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0028011 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0028011 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0028011 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0028011 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0028011 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0028011 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0028011 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0028011 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0028011 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0028011 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0028011 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0028011 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0028011 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0028011 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0028011 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0028011 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0028011 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028011 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0028011 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0028011 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0028011 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0028011 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0028011 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0028011 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0028011 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0028011 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0028011 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0028011 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0028011 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0028011 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0028011 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0028011 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0028011 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0028011 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0028011 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0028011 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0028011 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0028011 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0028011 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0028011 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0028011 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0028011 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0028011 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0028011 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0028011 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0028011 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0028011 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0028011 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0028011 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0028011 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0028011 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0028011 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0028011 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0028011 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028011 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0028011 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0028011 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0028011 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0028011 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0028011 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0028011 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0028011 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0028011 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0028011 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0028011 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0028011 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0028011 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0028011 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0028011 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0028011 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0028011 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0028011 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0028011 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028011 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028011 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0028011 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0028011 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0028011 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0028011 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0028011 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0028011 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0028011 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0028011 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0028011 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0028011 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0028011 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0028011 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0028011 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0028011 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0028011 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0028011 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0028011 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0028011 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0028011 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0028011 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0028011 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0028011 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0028011 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0028011 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0028011 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0028011 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0028011 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0028011 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0028011 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0028011 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0028011 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0028011 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0028011 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0028011 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0028011 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0028011 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0028011 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0028011 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0028011 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0028011 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0028011 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0028011 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0028011 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0028011 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0028011 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0028011 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0028011 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0028011 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0028011 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0028011 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0028011 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0028011 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 134) = ( 0.0000000 0.0000000 0.0133242), wk = 0.0028011 k( 135) = ( 0.0000000 0.0000000 0.0266484), wk = 0.0028011 k( 136) = ( 0.0000000 0.0000000 0.0399726), wk = 0.0028011 k( 137) = ( 0.0000000 0.0000000 0.0532968), wk = 0.0028011 k( 138) = ( 0.0000000 0.0000000 0.0666210), wk = 0.0028011 k( 139) = ( 0.0000000 0.0000000 0.0799451), wk = 0.0028011 k( 140) = ( 0.0000000 0.0000000 0.0932693), wk = 0.0028011 k( 141) = ( 0.0000000 0.0000000 0.1065935), wk = 0.0028011 k( 142) = ( 0.0000000 0.0000000 0.1199177), wk = 0.0028011 k( 143) = ( 0.0000000 0.0000000 0.1332419), wk = 0.0028011 k( 144) = ( 0.0000000 0.0000000 0.1465661), wk = 0.0028011 k( 145) = ( 0.0000000 0.0000000 0.1598903), wk = 0.0028011 k( 146) = ( 0.0000000 0.0000000 0.1732145), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.1865387), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.1998629), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.2131871), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.2265113), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.2398354), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.2531596), wk = 0.0028011 k( 153) = ( 0.0000000 0.0000000 0.2664838), wk = 0.0028011 k( 154) = ( 0.0000000 0.0000000 0.2798080), wk = 0.0028011 k( 155) = ( 0.0000000 0.0000000 0.2931322), wk = 0.0028011 k( 156) = ( 0.0000000 0.0000000 0.3064564), wk = 0.0028011 k( 157) = ( 0.0000000 0.0000000 0.3197806), wk = 0.0028011 k( 158) = ( 0.0000000 0.0000000 0.3331048), wk = 0.0028011 k( 159) = ( 0.0000000 0.0000000 0.3464290), wk = 0.0028011 k( 160) = ( 0.0000000 0.0000000 0.3597532), wk = 0.0028011 k( 161) = ( 0.0000000 0.0000000 0.3730774), wk = 0.0028011 k( 162) = ( 0.0000000 0.0000000 0.3864015), wk = 0.0028011 k( 163) = ( 0.0000000 0.0000000 0.3997257), wk = 0.0028011 k( 164) = ( 0.0000000 0.0000000 0.3997257), wk = 0.0028011 k( 165) = ( 0.0000000 0.0131579 0.3997257), wk = 0.0028011 k( 166) = ( 0.0000000 0.0263158 0.3997257), wk = 0.0028011 k( 167) = ( 0.0000000 0.0394737 0.3997257), wk = 0.0028011 k( 168) = ( 0.0000000 0.0526316 0.3997257), wk = 0.0028011 k( 169) = ( 0.0000000 0.0657895 0.3997257), wk = 0.0028011 k( 170) = ( 0.0000000 0.0789474 0.3997257), wk = 0.0028011 k( 171) = ( 0.0000000 0.0921053 0.3997257), wk = 0.0028011 k( 172) = ( 0.0000000 0.1052632 0.3997257), wk = 0.0028011 k( 173) = ( 0.0000000 0.1184210 0.3997257), wk = 0.0028011 k( 174) = ( 0.0000000 0.1315790 0.3997257), wk = 0.0028011 k( 175) = ( 0.0000000 0.1447368 0.3997257), wk = 0.0028011 k( 176) = ( 0.0000000 0.1578947 0.3997257), wk = 0.0028011 k( 177) = ( 0.0000000 0.1710526 0.3997257), wk = 0.0028011 k( 178) = ( 0.0000000 0.1842105 0.3997257), wk = 0.0028011 k( 179) = ( 0.0000000 0.1973684 0.3997257), wk = 0.0028011 k( 180) = ( 0.0000000 0.2105263 0.3997257), wk = 0.0028011 k( 181) = ( 0.0000000 0.2236842 0.3997257), wk = 0.0028011 k( 182) = ( 0.0000000 0.2368421 0.3997257), wk = 0.0028011 k( 183) = ( 0.0000000 0.2500000 0.3997257), wk = 0.0028011 k( 184) = ( 0.0000000 0.2631579 0.3997257), wk = 0.0028011 k( 185) = ( 0.0000000 0.2763158 0.3997257), wk = 0.0028011 k( 186) = ( 0.0000000 0.2894737 0.3997257), wk = 0.0028011 k( 187) = ( 0.0000000 0.3026316 0.3997257), wk = 0.0028011 k( 188) = ( 0.0000000 0.3157895 0.3997257), wk = 0.0028011 k( 189) = ( 0.0000000 0.3289474 0.3997257), wk = 0.0028011 k( 190) = ( 0.0000000 0.3421053 0.3997257), wk = 0.0028011 k( 191) = ( 0.0000000 0.3552632 0.3997257), wk = 0.0028011 k( 192) = ( 0.0000000 0.3684211 0.3997257), wk = 0.0028011 k( 193) = ( 0.0000000 0.3815789 0.3997257), wk = 0.0028011 k( 194) = ( 0.0000000 0.3947368 0.3997257), wk = 0.0028011 k( 195) = ( 0.0000000 0.4078947 0.3997257), wk = 0.0028011 k( 196) = ( 0.0000000 0.4210526 0.3997257), wk = 0.0028011 k( 197) = ( 0.0000000 0.4342105 0.3997257), wk = 0.0028011 k( 198) = ( 0.0000000 0.4473684 0.3997257), wk = 0.0028011 k( 199) = ( 0.0000000 0.4605263 0.3997257), wk = 0.0028011 k( 200) = ( 0.0000000 0.4736842 0.3997257), wk = 0.0028011 k( 201) = ( 0.0000000 0.4868421 0.3997257), wk = 0.0028011 k( 202) = ( 0.0000000 0.5000000 0.3997257), wk = 0.0028011 k( 203) = ( 0.0000000 0.5000000 0.3997257), wk = 0.0028011 k( 204) = ( 0.0131579 0.5000000 0.3997257), wk = 0.0028011 k( 205) = ( 0.0263158 0.5000000 0.3997257), wk = 0.0028011 k( 206) = ( 0.0394737 0.5000000 0.3997257), wk = 0.0028011 k( 207) = ( 0.0526316 0.5000000 0.3997257), wk = 0.0028011 k( 208) = ( 0.0657895 0.5000000 0.3997257), wk = 0.0028011 k( 209) = ( 0.0789474 0.5000000 0.3997257), wk = 0.0028011 k( 210) = ( 0.0921053 0.5000000 0.3997257), wk = 0.0028011 k( 211) = ( 0.1052632 0.5000000 0.3997257), wk = 0.0028011 k( 212) = ( 0.1184210 0.5000000 0.3997257), wk = 0.0028011 k( 213) = ( 0.1315790 0.5000000 0.3997257), wk = 0.0028011 k( 214) = ( 0.1447368 0.5000000 0.3997257), wk = 0.0028011 k( 215) = ( 0.1578947 0.5000000 0.3997257), wk = 0.0028011 k( 216) = ( 0.1710526 0.5000000 0.3997257), wk = 0.0028011 k( 217) = ( 0.1842105 0.5000000 0.3997257), wk = 0.0028011 k( 218) = ( 0.1973684 0.5000000 0.3997257), wk = 0.0028011 k( 219) = ( 0.2105263 0.5000000 0.3997257), wk = 0.0028011 k( 220) = ( 0.2236842 0.5000000 0.3997257), wk = 0.0028011 k( 221) = ( 0.2368421 0.5000000 0.3997257), wk = 0.0028011 k( 222) = ( 0.2500000 0.5000000 0.3997257), wk = 0.0028011 k( 223) = ( 0.2631579 0.5000000 0.3997257), wk = 0.0028011 k( 224) = ( 0.2763158 0.5000000 0.3997257), wk = 0.0028011 k( 225) = ( 0.2894737 0.5000000 0.3997257), wk = 0.0028011 k( 226) = ( 0.3026316 0.5000000 0.3997257), wk = 0.0028011 k( 227) = ( 0.3157895 0.5000000 0.3997257), wk = 0.0028011 k( 228) = ( 0.3289474 0.5000000 0.3997257), wk = 0.0028011 k( 229) = ( 0.3421053 0.5000000 0.3997257), wk = 0.0028011 k( 230) = ( 0.3552632 0.5000000 0.3997257), wk = 0.0028011 k( 231) = ( 0.3684211 0.5000000 0.3997257), wk = 0.0028011 k( 232) = ( 0.3815789 0.5000000 0.3997257), wk = 0.0028011 k( 233) = ( 0.3947368 0.5000000 0.3997257), wk = 0.0028011 k( 234) = ( 0.4078947 0.5000000 0.3997257), wk = 0.0028011 k( 235) = ( 0.4210526 0.5000000 0.3997257), wk = 0.0028011 k( 236) = ( 0.4342105 0.5000000 0.3997257), wk = 0.0028011 k( 237) = ( 0.4473684 0.5000000 0.3997257), wk = 0.0028011 k( 238) = ( 0.4605263 0.5000000 0.3997257), wk = 0.0028011 k( 239) = ( 0.4736842 0.5000000 0.3997257), wk = 0.0028011 k( 240) = ( 0.4868421 0.5000000 0.3997257), wk = 0.0028011 k( 241) = ( 0.5000000 0.5000000 0.3997257), wk = 0.0028011 k( 242) = ( 0.5000000 0.5000000 0.3997257), wk = 0.0028011 k( 243) = ( 0.4905660 0.4905660 0.3997257), wk = 0.0028011 k( 244) = ( 0.4811321 0.4811321 0.3997257), wk = 0.0028011 k( 245) = ( 0.4716981 0.4716981 0.3997257), wk = 0.0028011 k( 246) = ( 0.4622641 0.4622641 0.3997257), wk = 0.0028011 k( 247) = ( 0.4528302 0.4528302 0.3997257), wk = 0.0028011 k( 248) = ( 0.4433962 0.4433962 0.3997257), wk = 0.0028011 k( 249) = ( 0.4339623 0.4339623 0.3997257), wk = 0.0028011 k( 250) = ( 0.4245283 0.4245283 0.3997257), wk = 0.0028011 k( 251) = ( 0.4150943 0.4150943 0.3997257), wk = 0.0028011 k( 252) = ( 0.4056604 0.4056604 0.3997257), wk = 0.0028011 k( 253) = ( 0.3962264 0.3962264 0.3997257), wk = 0.0028011 k( 254) = ( 0.3867925 0.3867924 0.3997257), wk = 0.0028011 k( 255) = ( 0.3773585 0.3773585 0.3997257), wk = 0.0028011 k( 256) = ( 0.3679245 0.3679245 0.3997257), wk = 0.0028011 k( 257) = ( 0.3584906 0.3584906 0.3997257), wk = 0.0028011 k( 258) = ( 0.3490566 0.3490566 0.3997257), wk = 0.0028011 k( 259) = ( 0.3396226 0.3396226 0.3997257), wk = 0.0028011 k( 260) = ( 0.3301887 0.3301887 0.3997257), wk = 0.0028011 k( 261) = ( 0.3207547 0.3207547 0.3997257), wk = 0.0028011 k( 262) = ( 0.3113207 0.3113207 0.3997257), wk = 0.0028011 k( 263) = ( 0.3018868 0.3018868 0.3997257), wk = 0.0028011 k( 264) = ( 0.2924528 0.2924528 0.3997257), wk = 0.0028011 k( 265) = ( 0.2830189 0.2830189 0.3997257), wk = 0.0028011 k( 266) = ( 0.2735849 0.2735849 0.3997257), wk = 0.0028011 k( 267) = ( 0.2641509 0.2641509 0.3997257), wk = 0.0028011 k( 268) = ( 0.2547170 0.2547170 0.3997257), wk = 0.0028011 k( 269) = ( 0.2452830 0.2452830 0.3997257), wk = 0.0028011 k( 270) = ( 0.2358491 0.2358491 0.3997257), wk = 0.0028011 k( 271) = ( 0.2264151 0.2264151 0.3997257), wk = 0.0028011 k( 272) = ( 0.2169811 0.2169811 0.3997257), wk = 0.0028011 k( 273) = ( 0.2075472 0.2075472 0.3997257), wk = 0.0028011 k( 274) = ( 0.1981132 0.1981132 0.3997257), wk = 0.0028011 k( 275) = ( 0.1886792 0.1886792 0.3997257), wk = 0.0028011 k( 276) = ( 0.1792453 0.1792453 0.3997257), wk = 0.0028011 k( 277) = ( 0.1698113 0.1698113 0.3997257), wk = 0.0028011 k( 278) = ( 0.1603774 0.1603774 0.3997257), wk = 0.0028011 k( 279) = ( 0.1509434 0.1509434 0.3997257), wk = 0.0028011 k( 280) = ( 0.1415094 0.1415094 0.3997257), wk = 0.0028011 k( 281) = ( 0.1320755 0.1320755 0.3997257), wk = 0.0028011 k( 282) = ( 0.1226415 0.1226415 0.3997257), wk = 0.0028011 k( 283) = ( 0.1132076 0.1132075 0.3997257), wk = 0.0028011 k( 284) = ( 0.1037736 0.1037736 0.3997257), wk = 0.0028011 k( 285) = ( 0.0943396 0.0943396 0.3997257), wk = 0.0028011 k( 286) = ( 0.0849057 0.0849057 0.3997257), wk = 0.0028011 k( 287) = ( 0.0754717 0.0754717 0.3997257), wk = 0.0028011 k( 288) = ( 0.0660377 0.0660377 0.3997257), wk = 0.0028011 k( 289) = ( 0.0566038 0.0566038 0.3997257), wk = 0.0028011 k( 290) = ( 0.0471698 0.0471698 0.3997257), wk = 0.0028011 k( 291) = ( 0.0377359 0.0377358 0.3997257), wk = 0.0028011 k( 292) = ( 0.0283019 0.0283019 0.3997257), wk = 0.0028011 k( 293) = ( 0.0188679 0.0188679 0.3997257), wk = 0.0028011 k( 294) = ( 0.0094340 0.0094340 0.3997257), wk = 0.0028011 k( 295) = ( 0.0000000 0.0000000 0.3997257), wk = 0.0028011 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 297) = ( 0.0000000 0.5000000 0.0133242), wk = 0.0028011 k( 298) = ( 0.0000000 0.5000000 0.0266484), wk = 0.0028011 k( 299) = ( 0.0000000 0.5000000 0.0399726), wk = 0.0028011 k( 300) = ( 0.0000000 0.5000000 0.0532968), wk = 0.0028011 k( 301) = ( 0.0000000 0.5000000 0.0666210), wk = 0.0028011 k( 302) = ( 0.0000000 0.5000000 0.0799451), wk = 0.0028011 k( 303) = ( 0.0000000 0.5000000 0.0932693), wk = 0.0028011 k( 304) = ( 0.0000000 0.5000000 0.1065935), wk = 0.0028011 k( 305) = ( 0.0000000 0.5000000 0.1199177), wk = 0.0028011 k( 306) = ( 0.0000000 0.5000000 0.1332419), wk = 0.0028011 k( 307) = ( 0.0000000 0.5000000 0.1465661), wk = 0.0028011 k( 308) = ( 0.0000000 0.5000000 0.1598903), wk = 0.0028011 k( 309) = ( 0.0000000 0.5000000 0.1732145), wk = 0.0028011 k( 310) = ( 0.0000000 0.5000000 0.1865387), wk = 0.0028011 k( 311) = ( 0.0000000 0.5000000 0.1998629), wk = 0.0028011 k( 312) = ( 0.0000000 0.5000000 0.2131871), wk = 0.0028011 k( 313) = ( 0.0000000 0.5000000 0.2265113), wk = 0.0028011 k( 314) = ( 0.0000000 0.5000000 0.2398354), wk = 0.0028011 k( 315) = ( 0.0000000 0.5000000 0.2531596), wk = 0.0028011 k( 316) = ( 0.0000000 0.5000000 0.2664838), wk = 0.0028011 k( 317) = ( 0.0000000 0.5000000 0.2798080), wk = 0.0028011 k( 318) = ( 0.0000000 0.5000000 0.2931322), wk = 0.0028011 k( 319) = ( 0.0000000 0.5000000 0.3064564), wk = 0.0028011 k( 320) = ( 0.0000000 0.5000000 0.3197806), wk = 0.0028011 k( 321) = ( 0.0000000 0.5000000 0.3331048), wk = 0.0028011 k( 322) = ( 0.0000000 0.5000000 0.3464290), wk = 0.0028011 k( 323) = ( 0.0000000 0.5000000 0.3597532), wk = 0.0028011 k( 324) = ( 0.0000000 0.5000000 0.3730774), wk = 0.0028011 k( 325) = ( 0.0000000 0.5000000 0.3864015), wk = 0.0028011 k( 326) = ( 0.0000000 0.5000000 0.3997257), wk = 0.0028011 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028011 k( 328) = ( 0.5000000 0.5000000 0.0133242), wk = 0.0028011 k( 329) = ( 0.5000000 0.5000000 0.0266484), wk = 0.0028011 k( 330) = ( 0.5000000 0.5000000 0.0399726), wk = 0.0028011 k( 331) = ( 0.5000000 0.5000000 0.0532968), wk = 0.0028011 k( 332) = ( 0.5000000 0.5000000 0.0666210), wk = 0.0028011 k( 333) = ( 0.5000000 0.5000000 0.0799451), wk = 0.0028011 k( 334) = ( 0.5000000 0.5000000 0.0932693), wk = 0.0028011 k( 335) = ( 0.5000000 0.5000000 0.1065935), wk = 0.0028011 k( 336) = ( 0.5000000 0.5000000 0.1199177), wk = 0.0028011 k( 337) = ( 0.5000000 0.5000000 0.1332419), wk = 0.0028011 k( 338) = ( 0.5000000 0.5000000 0.1465661), wk = 0.0028011 k( 339) = ( 0.5000000 0.5000000 0.1598903), wk = 0.0028011 k( 340) = ( 0.5000000 0.5000000 0.1732145), wk = 0.0028011 k( 341) = ( 0.5000000 0.5000000 0.1865387), wk = 0.0028011 k( 342) = ( 0.5000000 0.5000000 0.1998629), wk = 0.0028011 k( 343) = ( 0.5000000 0.5000000 0.2131871), wk = 0.0028011 k( 344) = ( 0.5000000 0.5000000 0.2265113), wk = 0.0028011 k( 345) = ( 0.5000000 0.5000000 0.2398354), wk = 0.0028011 k( 346) = ( 0.5000000 0.5000000 0.2531596), wk = 0.0028011 k( 347) = ( 0.5000000 0.5000000 0.2664838), wk = 0.0028011 k( 348) = ( 0.5000000 0.5000000 0.2798080), wk = 0.0028011 k( 349) = ( 0.5000000 0.5000000 0.2931322), wk = 0.0028011 k( 350) = ( 0.5000000 0.5000000 0.3064564), wk = 0.0028011 k( 351) = ( 0.5000000 0.5000000 0.3197806), wk = 0.0028011 k( 352) = ( 0.5000000 0.5000000 0.3331048), wk = 0.0028011 k( 353) = ( 0.5000000 0.5000000 0.3464290), wk = 0.0028011 k( 354) = ( 0.5000000 0.5000000 0.3597532), wk = 0.0028011 k( 355) = ( 0.5000000 0.5000000 0.3730774), wk = 0.0028011 k( 356) = ( 0.5000000 0.5000000 0.3864015), wk = 0.0028011 k( 357) = ( 0.5000000 0.5000000 0.3997257), wk = 0.0028011 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0028011 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0028011 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0028011 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0028011 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0028011 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0028011 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0028011 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0028011 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0028011 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0028011 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0028011 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0028011 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0028011 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0028011 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0028011 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0028011 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0028011 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0028011 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028011 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0028011 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0028011 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0028011 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0028011 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0028011 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0028011 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0028011 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0028011 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0028011 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0028011 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0028011 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0028011 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0028011 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0028011 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0028011 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0028011 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0028011 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0028011 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0028011 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0028011 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0028011 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0028011 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0028011 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0028011 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0028011 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0028011 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0028011 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0028011 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0028011 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0028011 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0028011 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0028011 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0028011 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0028011 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0028011 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0028011 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0028011 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0028011 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0028011 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0028011 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0028011 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0028011 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0028011 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0028011 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0028011 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0028011 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0028011 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0028011 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0028011 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0028011 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0028011 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0028011 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0028011 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0028011 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0028011 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028011 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028011 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0028011 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0028011 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0028011 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0028011 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0028011 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0028011 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0028011 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0028011 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0028011 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0028011 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0028011 k( 91) = ( 0.3867925 0.3867925 -0.0000000), wk = 0.0028011 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0028011 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0028011 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0028011 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0028011 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0028011 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0028011 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0028011 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0028011 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0028011 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0028011 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0028011 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0028011 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0028011 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0028011 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0028011 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0028011 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0028011 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0028011 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0028011 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0028011 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0028011 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0028011 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0028011 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0028011 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0028011 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0028011 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0028011 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0028011 k( 120) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0028011 k( 121) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0028011 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0028011 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0028011 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0028011 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0028011 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0028011 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0028011 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0028011 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0028011 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0028011 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0028011 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028011 k( 134) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0028011 k( 135) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028011 k( 136) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028011 k( 137) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028011 k( 138) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028011 k( 139) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028011 k( 140) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0028011 k( 141) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028011 k( 142) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028011 k( 143) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028011 k( 144) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0028011 k( 145) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028011 k( 146) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0028011 k( 147) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028011 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028011 k( 149) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028011 k( 150) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0028011 k( 151) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028011 k( 152) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0028011 k( 153) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028011 k( 154) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028011 k( 155) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028011 k( 156) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0028011 k( 157) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028011 k( 158) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028011 k( 159) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028011 k( 160) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028011 k( 161) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028011 k( 162) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0028011 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 165) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0028011 k( 166) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0028011 k( 167) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0028011 k( 168) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0028011 k( 169) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0028011 k( 170) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0028011 k( 171) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0028011 k( 172) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0028011 k( 173) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0028011 k( 174) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0028011 k( 175) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0028011 k( 176) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0028011 k( 177) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0028011 k( 178) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0028011 k( 179) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0028011 k( 180) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0028011 k( 181) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0028011 k( 182) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0028011 k( 183) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028011 k( 184) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0028011 k( 185) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0028011 k( 186) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0028011 k( 187) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0028011 k( 188) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0028011 k( 189) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0028011 k( 190) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0028011 k( 191) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0028011 k( 192) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0028011 k( 193) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0028011 k( 194) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0028011 k( 195) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0028011 k( 196) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0028011 k( 197) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0028011 k( 198) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0028011 k( 199) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0028011 k( 200) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0028011 k( 201) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0028011 k( 202) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028011 k( 203) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028011 k( 204) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0028011 k( 205) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0028011 k( 206) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0028011 k( 207) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0028011 k( 208) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0028011 k( 209) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0028011 k( 210) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0028011 k( 211) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0028011 k( 212) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0028011 k( 213) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0028011 k( 214) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0028011 k( 215) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0028011 k( 216) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0028011 k( 217) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0028011 k( 218) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0028011 k( 219) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0028011 k( 220) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0028011 k( 221) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0028011 k( 222) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028011 k( 223) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0028011 k( 224) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0028011 k( 225) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0028011 k( 226) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0028011 k( 227) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0028011 k( 228) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0028011 k( 229) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0028011 k( 230) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0028011 k( 231) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0028011 k( 232) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0028011 k( 233) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0028011 k( 234) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0028011 k( 235) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0028011 k( 236) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0028011 k( 237) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0028011 k( 238) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0028011 k( 239) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0028011 k( 240) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0028011 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028011 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028011 k( 243) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0028011 k( 244) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0028011 k( 245) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0028011 k( 246) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0028011 k( 247) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0028011 k( 248) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0028011 k( 249) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0028011 k( 250) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0028011 k( 251) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0028011 k( 252) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0028011 k( 253) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0028011 k( 254) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0028011 k( 255) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0028011 k( 256) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0028011 k( 257) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0028011 k( 258) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0028011 k( 259) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0028011 k( 260) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0028011 k( 261) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0028011 k( 262) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0028011 k( 263) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0028011 k( 264) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0028011 k( 265) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0028011 k( 266) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0028011 k( 267) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0028011 k( 268) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0028011 k( 269) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0028011 k( 270) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0028011 k( 271) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0028011 k( 272) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0028011 k( 273) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0028011 k( 274) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0028011 k( 275) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0028011 k( 276) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0028011 k( 277) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0028011 k( 278) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0028011 k( 279) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0028011 k( 280) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0028011 k( 281) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0028011 k( 282) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0028011 k( 283) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0028011 k( 284) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0028011 k( 285) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0028011 k( 286) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0028011 k( 287) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0028011 k( 288) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0028011 k( 289) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0028011 k( 290) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0028011 k( 291) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0028011 k( 292) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0028011 k( 293) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0028011 k( 294) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0028011 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028011 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028011 k( 297) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0028011 k( 298) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028011 k( 299) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028011 k( 300) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028011 k( 301) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028011 k( 302) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028011 k( 303) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0028011 k( 304) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028011 k( 305) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028011 k( 306) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028011 k( 307) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0028011 k( 308) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028011 k( 309) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0028011 k( 310) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028011 k( 311) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028011 k( 312) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028011 k( 313) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0028011 k( 314) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028011 k( 315) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0028011 k( 316) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028011 k( 317) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028011 k( 318) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028011 k( 319) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0028011 k( 320) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028011 k( 321) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028011 k( 322) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028011 k( 323) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028011 k( 324) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028011 k( 325) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0028011 k( 326) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028011 k( 327) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028011 k( 328) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0028011 k( 329) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028011 k( 330) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0028011 k( 331) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028011 k( 332) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028011 k( 333) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028011 k( 334) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0028011 k( 335) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028011 k( 336) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0028011 k( 337) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028011 k( 338) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0028011 k( 339) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028011 k( 340) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0028011 k( 341) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028011 k( 342) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028011 k( 343) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028011 k( 344) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0028011 k( 345) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028011 k( 346) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0028011 k( 347) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028011 k( 348) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0028011 k( 349) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028011 k( 350) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0028011 k( 351) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028011 k( 352) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028011 k( 353) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028011 k( 354) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0028011 k( 355) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028011 k( 356) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0028011 k( 357) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028011 Dense grid: 63553 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 26967 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 192, 36) NL pseudopotentials 0.14 Mb ( 96, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1768) G-vector shells 0.01 Mb ( 835) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 192, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KAgC2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.1 secs Computing kpt #: 16 total cpu time spent up to now is 7.4 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.1 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.1 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 9.6 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 10.8 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.7 secs Computing kpt #: 35 total cpu time spent up to now is 12.0 secs Computing kpt #: 36 total cpu time spent up to now is 12.2 secs Computing kpt #: 37 total cpu time spent up to now is 12.4 secs Computing kpt #: 38 total cpu time spent up to now is 12.7 secs Computing kpt #: 39 total cpu time spent up to now is 12.9 secs Computing kpt #: 40 total cpu time spent up to now is 13.1 secs Computing kpt #: 41 total cpu time spent up to now is 13.3 secs Computing kpt #: 42 total cpu time spent up to now is 13.5 secs Computing kpt #: 43 total cpu time spent up to now is 13.8 secs Computing kpt #: 44 total cpu time spent up to now is 14.0 secs Computing kpt #: 45 total cpu time spent up to now is 14.2 secs Computing kpt #: 46 total cpu time spent up to now is 14.4 secs Computing kpt #: 47 total cpu time spent up to now is 14.7 secs Computing kpt #: 48 total cpu time spent up to now is 14.9 secs Computing kpt #: 49 total cpu time spent up to now is 15.1 secs Computing kpt #: 50 total cpu time spent up to now is 15.3 secs Computing kpt #: 51 total cpu time spent up to now is 15.5 secs Computing kpt #: 52 total cpu time spent up to now is 15.8 secs Computing kpt #: 53 total cpu time spent up to now is 16.0 secs Computing kpt #: 54 total cpu time spent up to now is 16.2 secs Computing kpt #: 55 total cpu time spent up to now is 16.4 secs Computing kpt #: 56 total cpu time spent up to now is 16.6 secs Computing kpt #: 57 total cpu time spent up to now is 16.9 secs Computing kpt #: 58 total cpu time spent up to now is 17.1 secs Computing kpt #: 59 total cpu time spent up to now is 17.3 secs Computing kpt #: 60 total cpu time spent up to now is 17.5 secs Computing kpt #: 61 total cpu time spent up to now is 17.7 secs Computing kpt #: 62 total cpu time spent up to now is 17.9 secs Computing kpt #: 63 total cpu time spent up to now is 18.2 secs Computing kpt #: 64 total cpu time spent up to now is 18.4 secs Computing kpt #: 65 total cpu time spent up to now is 18.6 secs Computing kpt #: 66 total cpu time spent up to now is 18.8 secs Computing kpt #: 67 total cpu time spent up to now is 19.0 secs Computing kpt #: 68 total cpu time spent up to now is 19.2 secs Computing kpt #: 69 total cpu time spent up to now is 19.4 secs Computing kpt #: 70 total cpu time spent up to now is 19.7 secs Computing kpt #: 71 total cpu time spent up to now is 19.9 secs Computing kpt #: 72 total cpu time spent up to now is 20.1 secs Computing kpt #: 73 total cpu time spent up to now is 20.3 secs Computing kpt #: 74 total cpu time spent up to now is 20.6 secs Computing kpt #: 75 total cpu time spent up to now is 20.8 secs Computing kpt #: 76 total cpu time spent up to now is 21.0 secs Computing kpt #: 77 total cpu time spent up to now is 21.3 secs Computing kpt #: 78 total cpu time spent up to now is 21.5 secs Computing kpt #: 79 total cpu time spent up to now is 21.7 secs Computing kpt #: 80 total cpu time spent up to now is 21.9 secs Computing kpt #: 81 total cpu time spent up to now is 22.2 secs Computing kpt #: 82 total cpu time spent up to now is 22.4 secs Computing kpt #: 83 total cpu time spent up to now is 22.7 secs Computing kpt #: 84 total cpu time spent up to now is 22.9 secs Computing kpt #: 85 total cpu time spent up to now is 23.1 secs Computing kpt #: 86 total cpu time spent up to now is 23.3 secs Computing kpt #: 87 total cpu time spent up to now is 23.6 secs Computing kpt #: 88 total cpu time spent up to now is 23.8 secs Computing kpt #: 89 total cpu time spent up to now is 24.0 secs Computing kpt #: 90 total cpu time spent up to now is 24.2 secs Computing kpt #: 91 total cpu time spent up to now is 24.4 secs Computing kpt #: 92 total cpu time spent up to now is 24.6 secs Computing kpt #: 93 total cpu time spent up to now is 24.9 secs Computing kpt #: 94 total cpu time spent up to now is 25.1 secs Computing kpt #: 95 total cpu time spent up to now is 25.3 secs Computing kpt #: 96 total cpu time spent up to now is 25.5 secs Computing kpt #: 97 total cpu time spent up to now is 25.7 secs Computing kpt #: 98 total cpu time spent up to now is 25.9 secs Computing kpt #: 99 total cpu time spent up to now is 26.2 secs Computing kpt #: 100 total cpu time spent up to now is 26.4 secs Computing kpt #: 101 total cpu time spent up to now is 26.6 secs Computing kpt #: 102 total cpu time spent up to now is 26.8 secs Computing kpt #: 103 total cpu time spent up to now is 27.1 secs Computing kpt #: 104 total cpu time spent up to now is 27.3 secs Computing kpt #: 105 total cpu time spent up to now is 27.5 secs Computing kpt #: 106 total cpu time spent up to now is 27.7 secs Computing kpt #: 107 total cpu time spent up to now is 27.9 secs Computing kpt #: 108 total cpu time spent up to now is 28.2 secs Computing kpt #: 109 total cpu time spent up to now is 28.4 secs Computing kpt #: 110 total cpu time spent up to now is 28.6 secs Computing kpt #: 111 total cpu time spent up to now is 28.9 secs Computing kpt #: 112 total cpu time spent up to now is 29.1 secs Computing kpt #: 113 total cpu time spent up to now is 29.3 secs Computing kpt #: 114 total cpu time spent up to now is 29.6 secs Computing kpt #: 115 total cpu time spent up to now is 29.8 secs Computing kpt #: 116 total cpu time spent up to now is 30.1 secs Computing kpt #: 117 total cpu time spent up to now is 30.3 secs Computing kpt #: 118 total cpu time spent up to now is 30.6 secs Computing kpt #: 119 total cpu time spent up to now is 30.8 secs Computing kpt #: 120 total cpu time spent up to now is 31.1 secs Computing kpt #: 121 total cpu time spent up to now is 31.3 secs Computing kpt #: 122 total cpu time spent up to now is 31.6 secs Computing kpt #: 123 total cpu time spent up to now is 31.8 secs Computing kpt #: 124 total cpu time spent up to now is 32.1 secs Computing kpt #: 125 total cpu time spent up to now is 32.3 secs Computing kpt #: 126 total cpu time spent up to now is 32.6 secs Computing kpt #: 127 total cpu time spent up to now is 32.8 secs Computing kpt #: 128 total cpu time spent up to now is 33.1 secs Computing kpt #: 129 total cpu time spent up to now is 33.3 secs Computing kpt #: 130 total cpu time spent up to now is 33.6 secs Computing kpt #: 131 total cpu time spent up to now is 33.9 secs Computing kpt #: 132 total cpu time spent up to now is 34.1 secs Computing kpt #: 133 total cpu time spent up to now is 34.4 secs Computing kpt #: 134 total cpu time spent up to now is 34.7 secs Computing kpt #: 135 total cpu time spent up to now is 35.0 secs Computing kpt #: 136 total cpu time spent up to now is 35.2 secs Computing kpt #: 137 total cpu time spent up to now is 35.5 secs Computing kpt #: 138 total cpu time spent up to now is 35.8 secs Computing kpt #: 139 total cpu time spent up to now is 36.1 secs Computing kpt #: 140 total cpu time spent up to now is 36.4 secs Computing kpt #: 141 total cpu time spent up to now is 36.7 secs Computing kpt #: 142 total cpu time spent up to now is 37.0 secs Computing kpt #: 143 total cpu time spent up to now is 37.3 secs Computing kpt #: 144 total cpu time spent up to now is 37.6 secs Computing kpt #: 145 total cpu time spent up to now is 37.9 secs Computing kpt #: 146 total cpu time spent up to now is 38.2 secs Computing kpt #: 147 total cpu time spent up to now is 38.5 secs Computing kpt #: 148 total cpu time spent up to now is 38.8 secs Computing kpt #: 149 total cpu time spent up to now is 39.1 secs Computing kpt #: 150 total cpu time spent up to now is 39.4 secs Computing kpt #: 151 total cpu time spent up to now is 39.8 secs Computing kpt #: 152 total cpu time spent up to now is 40.1 secs Computing kpt #: 153 total cpu time spent up to now is 40.5 secs Computing kpt #: 154 total cpu time spent up to now is 40.8 secs Computing kpt #: 155 total cpu time spent up to now is 41.2 secs Computing kpt #: 156 total cpu time spent up to now is 41.4 secs Computing kpt #: 157 total cpu time spent up to now is 41.6 secs Computing kpt #: 158 total cpu time spent up to now is 41.8 secs Computing kpt #: 159 total cpu time spent up to now is 42.0 secs Computing kpt #: 160 total cpu time spent up to now is 42.2 secs Computing kpt #: 161 total cpu time spent up to now is 42.4 secs Computing kpt #: 162 total cpu time spent up to now is 42.6 secs Computing kpt #: 163 total cpu time spent up to now is 42.8 secs Computing kpt #: 164 total cpu time spent up to now is 43.0 secs Computing kpt #: 165 total cpu time spent up to now is 43.2 secs Computing kpt #: 166 total cpu time spent up to now is 43.5 secs Computing kpt #: 167 total cpu time spent up to now is 43.7 secs Computing kpt #: 168 total cpu time spent up to now is 44.0 secs Computing kpt #: 169 total cpu time spent up to now is 44.3 secs Computing kpt #: 170 total cpu time spent up to now is 44.6 secs Computing kpt #: 171 total cpu time spent up to now is 44.9 secs Computing kpt #: 172 total cpu time spent up to now is 45.1 secs Computing kpt #: 173 total cpu time spent up to now is 45.4 secs Computing kpt #: 174 total cpu time spent up to now is 45.7 secs Computing kpt #: 175 total cpu time spent up to now is 46.0 secs Computing kpt #: 176 total cpu time spent up to now is 46.3 secs Computing kpt #: 177 total cpu time spent up to now is 46.5 secs Computing kpt #: 178 total cpu time spent up to now is 46.8 secs Computing kpt #: 179 total cpu time spent up to now is 47.1 secs Computing kpt #: 180 total cpu time spent up to now is 47.4 secs Computing kpt #: 181 total cpu time spent up to now is 47.7 secs Computing kpt #: 182 total cpu time spent up to now is 48.0 secs Computing kpt #: 183 total cpu time spent up to now is 48.2 secs Computing kpt #: 184 total cpu time spent up to now is 48.5 secs Computing kpt #: 185 total cpu time spent up to now is 48.7 secs Computing kpt #: 186 total cpu time spent up to now is 49.0 secs Computing kpt #: 187 total cpu time spent up to now is 49.3 secs Computing kpt #: 188 total cpu time spent up to now is 49.6 secs Computing kpt #: 189 total cpu time spent up to now is 49.9 secs Computing kpt #: 190 total cpu time spent up to now is 50.2 secs Computing kpt #: 191 total cpu time spent up to now is 50.5 secs Computing kpt #: 192 total cpu time spent up to now is 50.8 secs Computing kpt #: 193 total cpu time spent up to now is 51.1 secs Computing kpt #: 194 total cpu time spent up to now is 51.4 secs Computing kpt #: 195 total cpu time spent up to now is 51.8 secs Computing kpt #: 196 total cpu time spent up to now is 52.1 secs Computing kpt #: 197 total cpu time spent up to now is 52.5 secs Computing kpt #: 198 total cpu time spent up to now is 52.8 secs Computing kpt #: 199 total cpu time spent up to now is 53.0 secs Computing kpt #: 200 total cpu time spent up to now is 53.2 secs Computing kpt #: 201 total cpu time spent up to now is 53.4 secs Computing kpt #: 202 total cpu time spent up to now is 53.6 secs Computing kpt #: 203 total cpu time spent up to now is 53.8 secs Computing kpt #: 204 total cpu time spent up to now is 54.0 secs Computing kpt #: 205 total cpu time spent up to now is 54.3 secs Computing kpt #: 206 total cpu time spent up to now is 54.6 secs Computing kpt #: 207 total cpu time spent up to now is 54.9 secs Computing kpt #: 208 total cpu time spent up to now is 55.2 secs Computing kpt #: 209 total cpu time spent up to now is 55.4 secs Computing kpt #: 210 total cpu time spent up to now is 55.7 secs Computing kpt #: 211 total cpu time spent up to now is 56.0 secs Computing kpt #: 212 total cpu time spent up to now is 56.3 secs Computing kpt #: 213 total cpu time spent up to now is 56.5 secs Computing kpt #: 214 total cpu time spent up to now is 56.8 secs Computing kpt #: 215 total cpu time spent up to now is 57.0 secs Computing kpt #: 216 total cpu time spent up to now is 57.2 secs Computing kpt #: 217 total cpu time spent up to now is 57.5 secs Computing kpt #: 218 total cpu time spent up to now is 57.7 secs Computing kpt #: 219 total cpu time spent up to now is 57.9 secs Computing kpt #: 220 total cpu time spent up to now is 58.2 secs Computing kpt #: 221 total cpu time spent up to now is 58.4 secs Computing kpt #: 222 total cpu time spent up to now is 58.6 secs Computing kpt #: 223 total cpu time spent up to now is 58.8 secs Computing kpt #: 224 total cpu time spent up to now is 59.0 secs Computing kpt #: 225 total cpu time spent up to now is 59.3 secs Computing kpt #: 226 total cpu time spent up to now is 59.5 secs Computing kpt #: 227 total cpu time spent up to now is 59.7 secs Computing kpt #: 228 total cpu time spent up to now is 59.9 secs Computing kpt #: 229 total cpu time spent up to now is 60.2 secs Computing kpt #: 230 total cpu time spent up to now is 60.4 secs Computing kpt #: 231 total cpu time spent up to now is 60.6 secs Computing kpt #: 232 total cpu time spent up to now is 60.9 secs Computing kpt #: 233 total cpu time spent up to now is 61.1 secs Computing kpt #: 234 total cpu time spent up to now is 61.4 secs Computing kpt #: 235 total cpu time spent up to now is 61.6 secs Computing kpt #: 236 total cpu time spent up to now is 61.9 secs Computing kpt #: 237 total cpu time spent up to now is 62.1 secs Computing kpt #: 238 total cpu time spent up to now is 62.4 secs Computing kpt #: 239 total cpu time spent up to now is 62.7 secs Computing kpt #: 240 total cpu time spent up to now is 62.9 secs Computing kpt #: 241 total cpu time spent up to now is 63.2 secs Computing kpt #: 242 total cpu time spent up to now is 63.4 secs Computing kpt #: 243 total cpu time spent up to now is 63.7 secs Computing kpt #: 244 total cpu time spent up to now is 64.0 secs Computing kpt #: 245 total cpu time spent up to now is 64.3 secs Computing kpt #: 246 total cpu time spent up to now is 64.6 secs Computing kpt #: 247 total cpu time spent up to now is 64.9 secs Computing kpt #: 248 total cpu time spent up to now is 65.1 secs Computing kpt #: 249 total cpu time spent up to now is 65.4 secs Computing kpt #: 250 total cpu time spent up to now is 65.7 secs Computing kpt #: 251 total cpu time spent up to now is 66.0 secs Computing kpt #: 252 total cpu time spent up to now is 66.2 secs Computing kpt #: 253 total cpu time spent up to now is 66.5 secs Computing kpt #: 254 total cpu time spent up to now is 66.8 secs Computing kpt #: 255 total cpu time spent up to now is 67.0 secs Computing kpt #: 256 total cpu time spent up to now is 67.3 secs Computing kpt #: 257 total cpu time spent up to now is 67.6 secs Computing kpt #: 258 total cpu time spent up to now is 67.9 secs Computing kpt #: 259 total cpu time spent up to now is 68.2 secs Computing kpt #: 260 total cpu time spent up to now is 68.5 secs Computing kpt #: 261 total cpu time spent up to now is 68.8 secs Computing kpt #: 262 total cpu time spent up to now is 69.1 secs Computing kpt #: 263 total cpu time spent up to now is 69.3 secs Computing kpt #: 264 total cpu time spent up to now is 69.6 secs Computing kpt #: 265 total cpu time spent up to now is 69.8 secs Computing kpt #: 266 total cpu time spent up to now is 70.1 secs Computing kpt #: 267 total cpu time spent up to now is 70.3 secs Computing kpt #: 268 total cpu time spent up to now is 70.5 secs Computing kpt #: 269 total cpu time spent up to now is 70.8 secs Computing kpt #: 270 total cpu time spent up to now is 71.0 secs Computing kpt #: 271 total cpu time spent up to now is 71.2 secs Computing kpt #: 272 total cpu time spent up to now is 71.5 secs Computing kpt #: 273 total cpu time spent up to now is 71.7 secs Computing kpt #: 274 total cpu time spent up to now is 72.0 secs Computing kpt #: 275 total cpu time spent up to now is 72.2 secs Computing kpt #: 276 total cpu time spent up to now is 72.4 secs Computing kpt #: 277 total cpu time spent up to now is 72.7 secs Computing kpt #: 278 total cpu time spent up to now is 72.9 secs Computing kpt #: 279 total cpu time spent up to now is 73.1 secs Computing kpt #: 280 total cpu time spent up to now is 73.3 secs Computing kpt #: 281 total cpu time spent up to now is 73.5 secs Computing kpt #: 282 total cpu time spent up to now is 73.8 secs Computing kpt #: 283 total cpu time spent up to now is 74.0 secs Computing kpt #: 284 total cpu time spent up to now is 74.2 secs Computing kpt #: 285 total cpu time spent up to now is 74.4 secs Computing kpt #: 286 total cpu time spent up to now is 74.6 secs Computing kpt #: 287 total cpu time spent up to now is 74.8 secs Computing kpt #: 288 total cpu time spent up to now is 75.0 secs Computing kpt #: 289 total cpu time spent up to now is 75.2 secs Computing kpt #: 290 total cpu time spent up to now is 75.4 secs Computing kpt #: 291 total cpu time spent up to now is 75.6 secs Computing kpt #: 292 total cpu time spent up to now is 75.8 secs Computing kpt #: 293 total cpu time spent up to now is 76.0 secs Computing kpt #: 294 total cpu time spent up to now is 76.2 secs Computing kpt #: 295 total cpu time spent up to now is 76.4 secs Computing kpt #: 296 total cpu time spent up to now is 76.6 secs Computing kpt #: 297 total cpu time spent up to now is 76.8 secs Computing kpt #: 298 total cpu time spent up to now is 77.1 secs Computing kpt #: 299 total cpu time spent up to now is 77.3 secs Computing kpt #: 300 total cpu time spent up to now is 77.5 secs Computing kpt #: 301 total cpu time spent up to now is 77.8 secs Computing kpt #: 302 total cpu time spent up to now is 78.0 secs Computing kpt #: 303 total cpu time spent up to now is 78.3 secs Computing kpt #: 304 total cpu time spent up to now is 78.5 secs Computing kpt #: 305 total cpu time spent up to now is 78.7 secs Computing kpt #: 306 total cpu time spent up to now is 79.0 secs Computing kpt #: 307 total cpu time spent up to now is 79.2 secs Computing kpt #: 308 total cpu time spent up to now is 79.4 secs Computing kpt #: 309 total cpu time spent up to now is 79.7 secs Computing kpt #: 310 total cpu time spent up to now is 79.9 secs Computing kpt #: 311 total cpu time spent up to now is 80.1 secs Computing kpt #: 312 total cpu time spent up to now is 80.3 secs Computing kpt #: 313 total cpu time spent up to now is 80.6 secs Computing kpt #: 314 total cpu time spent up to now is 80.8 secs Computing kpt #: 315 total cpu time spent up to now is 81.0 secs Computing kpt #: 316 total cpu time spent up to now is 81.2 secs Computing kpt #: 317 total cpu time spent up to now is 81.5 secs Computing kpt #: 318 total cpu time spent up to now is 81.7 secs Computing kpt #: 319 total cpu time spent up to now is 81.9 secs Computing kpt #: 320 total cpu time spent up to now is 82.2 secs Computing kpt #: 321 total cpu time spent up to now is 82.4 secs Computing kpt #: 322 total cpu time spent up to now is 82.7 secs Computing kpt #: 323 total cpu time spent up to now is 83.0 secs Computing kpt #: 324 total cpu time spent up to now is 83.2 secs Computing kpt #: 325 total cpu time spent up to now is 83.5 secs Computing kpt #: 326 total cpu time spent up to now is 83.8 secs Computing kpt #: 327 total cpu time spent up to now is 84.0 secs Computing kpt #: 328 total cpu time spent up to now is 84.2 secs Computing kpt #: 329 total cpu time spent up to now is 84.4 secs Computing kpt #: 330 total cpu time spent up to now is 84.7 secs Computing kpt #: 331 total cpu time spent up to now is 84.9 secs Computing kpt #: 332 total cpu time spent up to now is 85.2 secs Computing kpt #: 333 total cpu time spent up to now is 85.5 secs Computing kpt #: 334 total cpu time spent up to now is 85.8 secs Computing kpt #: 335 total cpu time spent up to now is 86.1 secs Computing kpt #: 336 total cpu time spent up to now is 86.4 secs Computing kpt #: 337 total cpu time spent up to now is 86.7 secs Computing kpt #: 338 total cpu time spent up to now is 87.0 secs Computing kpt #: 339 total cpu time spent up to now is 87.3 secs Computing kpt #: 340 total cpu time spent up to now is 87.5 secs Computing kpt #: 341 total cpu time spent up to now is 87.8 secs Computing kpt #: 342 total cpu time spent up to now is 88.1 secs Computing kpt #: 343 total cpu time spent up to now is 88.4 secs Computing kpt #: 344 total cpu time spent up to now is 88.8 secs Computing kpt #: 345 total cpu time spent up to now is 89.1 secs Computing kpt #: 346 total cpu time spent up to now is 89.3 secs Computing kpt #: 347 total cpu time spent up to now is 89.6 secs Computing kpt #: 348 total cpu time spent up to now is 89.9 secs Computing kpt #: 349 total cpu time spent up to now is 90.3 secs Computing kpt #: 350 total cpu time spent up to now is 90.6 secs Computing kpt #: 351 total cpu time spent up to now is 90.9 secs Computing kpt #: 352 total cpu time spent up to now is 91.1 secs Computing kpt #: 353 total cpu time spent up to now is 91.3 secs Computing kpt #: 354 total cpu time spent up to now is 91.6 secs Computing kpt #: 355 total cpu time spent up to now is 91.9 secs Computing kpt #: 356 total cpu time spent up to now is 92.1 secs Computing kpt #: 357 total cpu time spent up to now is 92.3 secs ethr = 3.57E-08, avg # of iterations = 18.5 total cpu time spent up to now is 92.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3365 PWs) bands (ev): -25.9621 -25.9621 -9.8902 -9.8902 -9.6587 -9.6587 -9.3989 -9.3989 -9.3149 -9.3149 -2.5315 -2.5315 -1.3477 -1.3477 -0.4373 -0.4373 -0.4237 -0.4237 0.0013 0.0013 0.2999 0.2999 0.8957 0.8957 1.4185 1.4185 1.4378 1.4378 8.1203 8.1203 8.7710 8.7710 9.1115 9.1115 9.1446 9.1446 k = 0.0000 0.0132-0.0000 ( 3363 PWs) bands (ev): -25.9621 -25.9621 -9.8918 -9.8918 -9.6581 -9.6581 -9.3984 -9.3984 -9.3142 -9.3142 -2.5315 -2.5315 -1.3477 -1.3477 -0.4373 -0.4373 -0.4237 -0.4237 0.0014 0.0014 0.2998 0.2998 0.8958 0.8958 1.4181 1.4181 1.4373 1.4373 8.1175 8.1175 8.7726 8.7726 9.1111 9.1111 9.1442 9.1442 k = 0.0000 0.0263-0.0000 ( 3365 PWs) bands (ev): -25.9621 -25.9621 -9.8968 -9.8968 -9.6563 -9.6563 -9.3969 -9.3969 -9.3121 -9.3121 -2.5314 -2.5314 -1.3475 -1.3475 -0.4374 -0.4374 -0.4237 -0.4237 0.0015 0.0015 0.2997 0.2997 0.8958 0.8958 1.4169 1.4169 1.4360 1.4360 8.1090 8.1090 8.7777 8.7777 9.1094 9.1094 9.1436 9.1436 k = 0.0000 0.0395-0.0000 ( 3363 PWs) bands (ev): -25.9620 -25.9620 -9.9048 -9.9048 -9.6537 -9.6537 -9.3945 -9.3945 -9.3085 -9.3085 -2.5312 -2.5312 -1.3471 -1.3471 -0.4376 -0.4376 -0.4236 -0.4236 0.0018 0.0018 0.2995 0.2995 0.8958 0.8958 1.4149 1.4149 1.4339 1.4339 8.0947 8.0947 8.7863 8.7863 9.1056 9.1056 9.1437 9.1437 k = 0.0000 0.0526-0.0000 ( 3359 PWs) bands (ev): -25.9619 -25.9619 -9.9153 -9.9153 -9.6504 -9.6504 -9.3916 -9.3916 -9.3033 -9.3033 -2.5309 -2.5309 -1.3467 -1.3467 -0.4380 -0.4380 -0.4236 -0.4236 0.0021 0.0021 0.2993 0.2993 0.8956 0.8956 1.4123 1.4123 1.4310 1.4310 8.0744 8.0744 8.7985 8.7985 9.0987 9.0987 9.1456 9.1456 k = 0.0000 0.0658-0.0000 ( 3371 PWs) bands (ev): -25.9618 -25.9618 -9.9281 -9.9281 -9.6467 -9.6467 -9.3883 -9.3883 -9.2964 -9.2964 -2.5306 -2.5306 -1.3461 -1.3461 -0.4385 -0.4385 -0.4235 -0.4235 0.0025 0.0025 0.2990 0.2990 0.8950 0.8950 1.4092 1.4092 1.4276 1.4276 8.0479 8.0479 8.8145 8.8145 9.0884 9.0884 9.1496 9.1496 k = 0.0000 0.0789-0.0000 ( 3371 PWs) bands (ev): -25.9617 -25.9617 -9.9427 -9.9427 -9.6428 -9.6428 -9.3849 -9.3849 -9.2878 -9.2878 -2.5302 -2.5302 -1.3454 -1.3454 -0.4390 -0.4390 -0.4234 -0.4234 0.0029 0.0029 0.2986 0.2986 0.8939 0.8939 1.4056 1.4056 1.4238 1.4238 8.0151 8.0151 8.8344 8.8344 9.0750 9.0750 9.1556 9.1556 k = 0.0000 0.0921-0.0000 ( 3373 PWs) bands (ev): -25.9616 -25.9616 -9.9585 -9.9585 -9.6390 -9.6390 -9.3816 -9.3816 -9.2773 -9.2773 -2.5298 -2.5298 -1.3446 -1.3446 -0.4397 -0.4397 -0.4232 -0.4232 0.0035 0.0035 0.2982 0.2982 0.8921 0.8921 1.4017 1.4017 1.4199 1.4199 7.9758 7.9758 8.8583 8.8583 9.0591 9.0591 9.1633 9.1633 k = 0.0000 0.1053-0.0000 ( 3373 PWs) bands (ev): -25.9614 -25.9614 -9.9755 -9.9755 -9.6354 -9.6354 -9.3785 -9.3785 -9.2653 -9.2653 -2.5293 -2.5293 -1.3437 -1.3437 -0.4405 -0.4405 -0.4230 -0.4230 0.0041 0.0041 0.2978 0.2978 0.8892 0.8892 1.3974 1.3974 1.4165 1.4165 7.9302 7.9302 8.8862 8.8862 9.0409 9.0409 9.1726 9.1726 k = 0.0000 0.1184-0.0000 ( 3373 PWs) bands (ev): -25.9612 -25.9612 -9.9933 -9.9933 -9.6319 -9.6319 -9.3757 -9.3757 -9.2518 -9.2518 -2.5287 -2.5287 -1.3426 -1.3426 -0.4414 -0.4414 -0.4227 -0.4227 0.0048 0.0048 0.2973 0.2973 0.8850 0.8850 1.3923 1.3923 1.4142 1.4142 7.8785 7.8785 8.9180 8.9180 9.0208 9.0208 9.1832 9.1832 k = 0.0000 0.1316-0.0000 ( 3373 PWs) bands (ev): -25.9610 -25.9610 -10.0115 -10.0115 -9.6286 -9.6286 -9.3731 -9.3731 -9.2371 -9.2371 -2.5281 -2.5281 -1.3415 -1.3415 -0.4425 -0.4425 -0.4224 -0.4224 0.0056 0.0056 0.2968 0.2968 0.8792 0.8792 1.3864 1.3864 1.4137 1.4137 7.8209 7.8209 8.9535 8.9535 8.9991 8.9991 9.1953 9.1953 k = 0.0000 0.1447-0.0000 ( 3365 PWs) bands (ev): -25.9608 -25.9608 -10.0302 -10.0302 -9.6256 -9.6256 -9.3707 -9.3707 -9.2213 -9.2213 -2.5274 -2.5274 -1.3402 -1.3402 -0.4437 -0.4437 -0.4221 -0.4221 0.0064 0.0064 0.2963 0.2963 0.8716 0.8716 1.3796 1.3796 1.4154 1.4154 7.7578 7.7578 8.9752 8.9752 8.9934 8.9934 9.2086 9.2086 k = 0.0000 0.1579-0.0000 ( 3365 PWs) bands (ev): -25.9606 -25.9606 -10.0490 -10.0490 -9.6229 -9.6229 -9.3685 -9.3685 -9.2048 -9.2048 -2.5267 -2.5267 -1.3389 -1.3389 -0.4451 -0.4451 -0.4217 -0.4217 0.0072 0.0072 0.2958 0.2958 0.8621 0.8621 1.3720 1.3720 1.4195 1.4195 7.6897 7.6897 8.9515 8.9515 9.0354 9.0354 9.2233 9.2233 k = 0.0000 0.1711-0.0000 ( 3371 PWs) bands (ev): -25.9604 -25.9604 -10.0679 -10.0679 -9.6203 -9.6203 -9.3666 -9.3666 -9.1877 -9.1877 -2.5259 -2.5259 -1.3375 -1.3375 -0.4466 -0.4466 -0.4213 -0.4213 0.0080 0.0080 0.2952 0.2952 0.8506 0.8506 1.3638 1.3638 1.4261 1.4261 7.6172 7.6172 8.9265 8.9265 9.0808 9.0808 9.2392 9.2392 k = 0.0000 0.1842-0.0000 ( 3367 PWs) bands (ev): -25.9601 -25.9601 -10.0867 -10.0867 -9.6179 -9.6179 -9.3647 -9.3647 -9.1702 -9.1702 -2.5251 -2.5251 -1.3360 -1.3360 -0.4481 -0.4481 -0.4209 -0.4209 0.0089 0.0089 0.2947 0.2947 0.8371 0.8371 1.3551 1.3551 1.4353 1.4353 7.5409 7.5409 8.9008 8.9008 9.1287 9.1287 9.2564 9.2564 k = 0.0000 0.1974-0.0000 ( 3361 PWs) bands (ev): -25.9598 -25.9598 -10.1053 -10.1053 -9.6157 -9.6157 -9.3629 -9.3629 -9.1525 -9.1525 -2.5243 -2.5243 -1.3344 -1.3344 -0.4499 -0.4499 -0.4205 -0.4205 0.0097 0.0097 0.2942 0.2942 0.8216 0.8216 1.3460 1.3460 1.4470 1.4470 7.4614 7.4614 8.8748 8.8748 9.1784 9.1784 9.2754 9.2754 k = 0.0000 0.2105-0.0000 ( 3357 PWs) bands (ev): -25.9596 -25.9596 -10.1237 -10.1237 -9.6137 -9.6137 -9.3613 -9.3613 -9.1347 -9.1347 -2.5234 -2.5234 -1.3328 -1.3328 -0.4517 -0.4517 -0.4200 -0.4200 0.0106 0.0106 0.2937 0.2937 0.8045 0.8045 1.3366 1.3366 1.4613 1.4613 7.3793 7.3793 8.8486 8.8486 9.2286 9.2286 9.2968 9.2968 k = 0.0000 0.2237-0.0000 ( 3357 PWs) bands (ev): -25.9593 -25.9593 -10.1416 -10.1416 -9.6118 -9.6118 -9.3597 -9.3597 -9.1170 -9.1170 -2.5225 -2.5225 -1.3311 -1.3311 -0.4536 -0.4536 -0.4195 -0.4195 0.0114 0.0114 0.2932 0.2932 0.7858 0.7858 1.3270 1.3270 1.4778 1.4778 7.2952 7.2952 8.8224 8.8224 9.2756 9.2756 9.3241 9.3241 k = 0.0000 0.2368-0.0000 ( 3359 PWs) bands (ev): -25.9590 -25.9590 -10.1592 -10.1592 -9.6100 -9.6100 -9.3582 -9.3582 -9.0994 -9.0994 -2.5216 -2.5216 -1.3294 -1.3294 -0.4556 -0.4556 -0.4191 -0.4191 0.0122 0.0122 0.2927 0.2927 0.7658 0.7658 1.3173 1.3173 1.4964 1.4964 7.2098 7.2098 8.7965 8.7965 9.3121 9.3121 9.3638 9.3638 k = 0.0000 0.2500-0.0000 ( 3357 PWs) bands (ev): -25.9587 -25.9587 -10.1762 -10.1762 -9.6084 -9.6084 -9.3567 -9.3567 -9.0822 -9.0822 -2.5207 -2.5207 -1.3276 -1.3276 -0.4577 -0.4577 -0.4186 -0.4186 0.0130 0.0130 0.2923 0.2923 0.7449 0.7449 1.3075 1.3075 1.5170 1.5170 7.1238 7.1238 8.7709 8.7709 9.3391 9.3391 9.4145 9.4145 k = 0.0000 0.2632-0.0000 ( 3349 PWs) bands (ev): -25.9584 -25.9584 -10.1927 -10.1927 -9.6068 -9.6068 -9.3553 -9.3553 -9.0654 -9.0654 -2.5198 -2.5198 -1.3259 -1.3259 -0.4598 -0.4598 -0.4181 -0.4181 0.0138 0.0138 0.2920 0.2920 0.7233 0.7233 1.2978 1.2978 1.5392 1.5392 7.0376 7.0376 8.7459 8.7459 9.3628 9.3628 9.4693 9.4693 k = 0.0000 0.2763-0.0000 ( 3353 PWs) bands (ev): -25.9582 -25.9582 -10.2086 -10.2086 -9.6054 -9.6054 -9.3539 -9.3539 -9.0490 -9.0490 -2.5189 -2.5189 -1.3241 -1.3241 -0.4620 -0.4620 -0.4176 -0.4176 0.0145 0.0145 0.2916 0.2916 0.7012 0.7012 1.2881 1.2881 1.5627 1.5627 6.9520 6.9520 8.7215 8.7215 9.3856 9.3856 9.5252 9.5252 k = 0.0000 0.2895-0.0000 ( 3355 PWs) bands (ev): -25.9579 -25.9579 -10.2238 -10.2238 -9.6040 -9.6040 -9.3526 -9.3526 -9.0333 -9.0333 -2.5180 -2.5180 -1.3223 -1.3223 -0.4642 -0.4642 -0.4172 -0.4172 0.0152 0.0152 0.2913 0.2913 0.6790 0.6790 1.2786 1.2786 1.5874 1.5874 6.8674 6.8674 8.6980 8.6980 9.4081 9.4081 9.5808 9.5808 k = 0.0000 0.3026-0.0000 ( 3355 PWs) bands (ev): -25.9576 -25.9576 -10.2383 -10.2383 -9.6027 -9.6027 -9.3514 -9.3514 -9.0181 -9.0181 -2.5171 -2.5171 -1.3206 -1.3206 -0.4664 -0.4664 -0.4167 -0.4167 0.0158 0.0158 0.2911 0.2911 0.6569 0.6569 1.2693 1.2693 1.6128 1.6128 6.7845 6.7845 8.6754 8.6754 9.4305 9.4305 9.6353 9.6353 k = 0.0000 0.3158-0.0000 ( 3355 PWs) bands (ev): -25.9574 -25.9574 -10.2520 -10.2520 -9.6015 -9.6015 -9.3502 -9.3502 -9.0036 -9.0036 -2.5162 -2.5162 -1.3189 -1.3189 -0.4685 -0.4685 -0.4163 -0.4163 0.0164 0.0164 0.2909 0.2909 0.6352 0.6352 1.2603 1.2603 1.6387 1.6387 6.7038 6.7038 8.6539 8.6539 9.4527 9.4527 9.6880 9.6880 k = 0.0000 0.3289-0.0000 ( 3359 PWs) bands (ev): -25.9571 -25.9571 -10.2649 -10.2649 -9.6004 -9.6004 -9.3491 -9.3491 -8.9899 -8.9899 -2.5154 -2.5154 -1.3173 -1.3173 -0.4707 -0.4707 -0.4159 -0.4159 0.0169 0.0169 0.2908 0.2908 0.6140 0.6140 1.2516 1.2516 1.6648 1.6648 6.6258 6.6258 8.6334 8.6334 9.4747 9.4747 9.7383 9.7383 k = 0.0000 0.3421-0.0000 ( 3355 PWs) bands (ev): -25.9569 -25.9569 -10.2770 -10.2770 -9.5994 -9.5994 -9.3480 -9.3480 -8.9770 -8.9770 -2.5145 -2.5145 -1.3157 -1.3157 -0.4728 -0.4728 -0.4155 -0.4155 0.0174 0.0174 0.2908 0.2908 0.5935 0.5935 1.2433 1.2433 1.6908 1.6908 6.5511 6.5511 8.6142 8.6142 9.4962 9.4962 9.7858 9.7858 k = 0.0000 0.3553-0.0000 ( 3355 PWs) bands (ev): -25.9567 -25.9567 -10.2883 -10.2883 -9.5985 -9.5985 -9.3470 -9.3470 -8.9649 -8.9649 -2.5138 -2.5138 -1.3142 -1.3142 -0.4748 -0.4748 -0.4152 -0.4152 0.0179 0.0179 0.2908 0.2908 0.5740 0.5740 1.2355 1.2355 1.7164 1.7164 6.4801 6.4801 8.5963 8.5963 9.5171 9.5171 9.8300 9.8300 k = 0.0000 0.3684-0.0000 ( 3363 PWs) bands (ev): -25.9564 -25.9564 -10.2987 -10.2987 -9.5976 -9.5976 -9.3460 -9.3460 -8.9537 -8.9537 -2.5130 -2.5130 -1.3127 -1.3127 -0.4767 -0.4767 -0.4148 -0.4148 0.0182 0.0182 0.2908 0.2908 0.5556 0.5556 1.2282 1.2282 1.7411 1.7411 6.4133 6.4133 8.5798 8.5798 9.5372 9.5372 9.8706 9.8706 k = 0.0000 0.3816-0.0000 ( 3360 PWs) bands (ev): -25.9562 -25.9562 -10.3082 -10.3082 -9.5968 -9.5968 -9.3452 -9.3452 -8.9435 -8.9435 -2.5124 -2.5124 -1.3114 -1.3114 -0.4785 -0.4785 -0.4145 -0.4145 0.0186 0.0186 0.2908 0.2908 0.5385 0.5385 1.2214 1.2214 1.7648 1.7648 6.3511 6.3511 8.5647 8.5647 9.5564 9.5564 9.9073 9.9073 k = 0.0000 0.3947-0.0000 ( 3358 PWs) bands (ev): -25.9561 -25.9561 -10.3167 -10.3167 -9.5961 -9.5961 -9.3444 -9.3444 -8.9342 -8.9342 -2.5117 -2.5117 -1.3101 -1.3101 -0.4801 -0.4801 -0.4142 -0.4142 0.0189 0.0189 0.2909 0.2909 0.5228 0.5228 1.2153 1.2153 1.7871 1.7871 6.2942 6.2942 8.5510 8.5510 9.5743 9.5743 9.9401 9.9401 k = 0.0000 0.4079-0.0000 ( 3366 PWs) bands (ev): -25.9559 -25.9559 -10.3243 -10.3243 -9.5955 -9.5955 -9.3437 -9.3437 -8.9260 -8.9260 -2.5112 -2.5112 -1.3090 -1.3090 -0.4816 -0.4816 -0.4140 -0.4140 0.0192 0.0192 0.2910 0.2910 0.5087 0.5087 1.2097 1.2097 1.8076 1.8076 6.2427 6.2427 8.5389 8.5389 9.5908 9.5908 9.9689 9.9689 k = 0.0000 0.4211-0.0000 ( 3364 PWs) bands (ev): -25.9558 -25.9558 -10.3309 -10.3309 -9.5949 -9.5949 -9.3431 -9.3431 -8.9188 -8.9188 -2.5107 -2.5107 -1.3080 -1.3080 -0.4830 -0.4830 -0.4138 -0.4138 0.0194 0.0194 0.2912 0.2912 0.4962 0.4962 1.2049 1.2049 1.8261 1.8261 6.1973 6.1973 8.5283 8.5283 9.6057 9.6057 9.9936 9.9936 k = 0.0000 0.4342-0.0000 ( 3356 PWs) bands (ev): -25.9556 -25.9556 -10.3365 -10.3365 -9.5944 -9.5944 -9.3426 -9.3426 -8.9127 -8.9127 -2.5102 -2.5102 -1.3072 -1.3072 -0.4841 -0.4841 -0.4136 -0.4136 0.0196 0.0196 0.2913 0.2913 0.4854 0.4854 1.2007 1.2007 1.8423 1.8423 6.1581 6.1581 8.5192 8.5192 9.6187 9.6187 10.0144 10.0144 k = 0.0000 0.4474-0.0000 ( 3364 PWs) bands (ev): -25.9555 -25.9555 -10.3411 -10.3411 -9.5941 -9.5941 -9.3421 -9.3421 -8.9077 -8.9077 -2.5099 -2.5099 -1.3065 -1.3065 -0.4851 -0.4851 -0.4134 -0.4134 0.0198 0.0198 0.2915 0.2915 0.4765 0.4765 1.1972 1.1972 1.8560 1.8560 6.1256 6.1256 8.5118 8.5118 9.6296 9.6296 10.0313 10.0313 k = 0.0000 0.4605-0.0000 ( 3364 PWs) bands (ev): -25.9555 -25.9555 -10.3447 -10.3447 -9.5938 -9.5938 -9.3418 -9.3418 -8.9037 -8.9037 -2.5096 -2.5096 -1.3059 -1.3059 -0.4858 -0.4858 -0.4133 -0.4133 0.0199 0.0199 0.2916 0.2916 0.4695 0.4695 1.1945 1.1945 1.8668 1.8668 6.1000 6.1000 8.5060 8.5060 9.6384 9.6384 10.0443 10.0443 k = 0.0000 0.4737-0.0000 ( 3362 PWs) bands (ev): -25.9554 -25.9554 -10.3472 -10.3472 -9.5936 -9.5936 -9.3415 -9.3415 -8.9009 -8.9009 -2.5094 -2.5094 -1.3055 -1.3055 -0.4864 -0.4864 -0.4132 -0.4132 0.0200 0.0200 0.2917 0.2917 0.4644 0.4644 1.1926 1.1926 1.8747 1.8747 6.0816 6.0816 8.5019 8.5019 9.6447 9.6447 10.0536 10.0536 k = 0.0000 0.4868-0.0000 ( 3366 PWs) bands (ev): -25.9554 -25.9554 -10.3488 -10.3488 -9.5934 -9.5934 -9.3414 -9.3414 -8.8992 -8.8992 -2.5093 -2.5093 -1.3053 -1.3053 -0.4867 -0.4867 -0.4132 -0.4132 0.0200 0.0200 0.2917 0.2917 0.4614 0.4614 1.1914 1.1914 1.8795 1.8795 6.0705 6.0705 8.4994 8.4994 9.6485 9.6485 10.0591 10.0591 k = 0.0000 0.5000-0.0000 ( 3374 PWs) bands (ev): -25.9554 -25.9554 -10.3493 -10.3493 -9.5934 -9.5934 -9.3414 -9.3414 -8.8986 -8.8986 -2.5093 -2.5093 -1.3052 -1.3052 -0.4868 -0.4868 -0.4132 -0.4132 0.0200 0.0200 0.2917 0.2917 0.4603 0.4603 1.1910 1.1910 1.8811 1.8811 6.0667 6.0667 8.4986 8.4986 9.6498 9.6498 10.0609 10.0609 k = 0.0000 0.5000-0.0000 ( 3374 PWs) bands (ev): -25.9554 -25.9554 -10.3493 -10.3493 -9.5934 -9.5934 -9.3414 -9.3414 -8.8986 -8.8986 -2.5093 -2.5093 -1.3052 -1.3052 -0.4868 -0.4868 -0.4132 -0.4132 0.0200 0.0200 0.2917 0.2917 0.4603 0.4603 1.1910 1.1910 1.8811 1.8811 6.0667 6.0667 8.4986 8.4986 9.6498 9.6498 10.0609 10.0609 k = 0.0132 0.5000-0.0000 ( 3370 PWs) bands (ev): -25.9554 -25.9554 -10.3488 -10.3488 -9.5934 -9.5934 -9.3416 -9.3416 -8.8993 -8.8993 -2.5093 -2.5093 -1.3050 -1.3050 -0.4868 -0.4868 -0.4132 -0.4132 0.0200 0.0200 0.2917 0.2917 0.4613 0.4613 1.1905 1.1905 1.8821 1.8821 6.0682 6.0682 8.4974 8.4974 9.6411 9.6411 10.0562 10.0562 k = 0.0263 0.5000-0.0000 ( 3366 PWs) bands (ev): -25.9553 -25.9553 -10.3473 -10.3473 -9.5935 -9.5935 -9.3422 -9.3422 -8.9012 -8.9012 -2.5092 -2.5092 -1.3043 -1.3043 -0.4869 -0.4869 -0.4134 -0.4134 0.0200 0.0200 0.2916 0.2916 0.4640 0.4640 1.1890 1.1890 1.8850 1.8850 6.0725 6.0725 8.4939 8.4939 9.6160 9.6160 10.0419 10.0419 k = 0.0395 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9553 -25.9553 -10.3447 -10.3447 -9.5936 -9.5936 -9.3432 -9.3432 -8.9044 -8.9044 -2.5091 -2.5091 -1.3032 -1.3032 -0.4870 -0.4870 -0.4137 -0.4137 0.0199 0.0199 0.2914 0.2914 0.4686 0.4686 1.1866 1.1866 1.8899 1.8899 6.0796 6.0796 8.4882 8.4882 9.5767 9.5767 10.0185 10.0185 k = 0.0526 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9552 -25.9552 -10.3411 -10.3411 -9.5938 -9.5938 -9.3446 -9.3446 -8.9088 -8.9088 -2.5089 -2.5089 -1.3017 -1.3017 -0.4872 -0.4872 -0.4142 -0.4142 0.0198 0.0198 0.2911 0.2911 0.4749 0.4749 1.1832 1.1832 1.8966 1.8966 6.0896 6.0896 8.4802 8.4802 9.5264 9.5264 9.9861 9.9861 k = 0.0658 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9551 -25.9551 -10.3365 -10.3365 -9.5940 -9.5940 -9.3463 -9.3463 -8.9145 -8.9145 -2.5088 -2.5088 -1.2998 -1.2998 -0.4875 -0.4875 -0.4148 -0.4148 0.0196 0.0196 0.2909 0.2909 0.4829 0.4829 1.1789 1.1789 1.9052 1.9052 6.1025 6.1025 8.4702 8.4702 9.4678 9.4678 9.9453 9.9453 k = 0.0789 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9550 -25.9550 -10.3308 -10.3308 -9.5943 -9.5943 -9.3484 -9.3484 -8.9215 -8.9215 -2.5086 -2.5086 -1.2974 -1.2974 -0.4879 -0.4879 -0.4155 -0.4155 0.0194 0.0194 0.2908 0.2908 0.4924 0.4924 1.1738 1.1738 1.9156 1.9156 6.1182 6.1182 8.4581 8.4581 9.4036 9.4036 9.8965 9.8965 k = 0.0921 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9549 -25.9549 -10.3242 -10.3242 -9.5947 -9.5947 -9.3509 -9.3509 -8.9296 -8.9296 -2.5083 -2.5083 -1.2947 -1.2947 -0.4883 -0.4883 -0.4164 -0.4164 0.0192 0.0192 0.2909 0.2909 0.5034 0.5034 1.1680 1.1680 1.9276 1.9276 6.1367 6.1367 8.4443 8.4443 9.3355 9.3355 9.8403 9.8403 k = 0.1053 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9547 -25.9547 -10.3165 -10.3165 -9.5952 -9.5952 -9.3537 -9.3537 -8.9390 -8.9390 -2.5080 -2.5080 -1.2916 -1.2916 -0.4887 -0.4887 -0.4174 -0.4174 0.0188 0.0188 0.2911 0.2911 0.5158 0.5158 1.1615 1.1615 1.9413 1.9413 6.1580 6.1580 8.4287 8.4287 9.2650 9.2650 9.7774 9.7774 k = 0.1184 0.5000-0.0000 ( 3362 PWs) bands (ev): -25.9545 -25.9545 -10.3079 -10.3079 -9.5957 -9.5957 -9.3567 -9.3567 -8.9495 -8.9495 -2.5077 -2.5077 -1.2880 -1.2880 -0.4893 -0.4893 -0.4186 -0.4186 0.0184 0.0184 0.2916 0.2916 0.5295 0.5295 1.1544 1.1544 1.9564 1.9564 6.1821 6.1821 8.4115 8.4115 9.1932 9.1932 9.7083 9.7083 k = 0.1316 0.5000-0.0000 ( 3368 PWs) bands (ev): -25.9544 -25.9544 -10.2983 -10.2983 -9.5963 -9.5963 -9.3600 -9.3600 -8.9611 -8.9611 -2.5074 -2.5074 -1.2842 -1.2842 -0.4899 -0.4899 -0.4199 -0.4199 0.0178 0.0178 0.2924 0.2924 0.5444 0.5444 1.1468 1.1468 1.9730 1.9730 6.2089 6.2089 8.3931 8.3931 9.1209 9.1209 9.6339 9.6339 k = 0.1447 0.5000-0.0000 ( 3368 PWs) bands (ev): -25.9542 -25.9542 -10.2878 -10.2878 -9.5971 -9.5971 -9.3636 -9.3636 -8.9739 -8.9739 -2.5070 -2.5070 -1.2800 -1.2800 -0.4905 -0.4905 -0.4213 -0.4213 0.0171 0.0171 0.2935 0.2935 0.5603 0.5603 1.1388 1.1388 1.9909 1.9909 6.2385 6.2385 8.3734 8.3734 9.0488 9.0488 9.5548 9.5548 k = 0.1579 0.5000-0.0000 ( 3364 PWs) bands (ev): -25.9540 -25.9540 -10.2763 -10.2763 -9.5979 -9.5979 -9.3673 -9.3673 -8.9877 -8.9877 -2.5067 -2.5067 -1.2755 -1.2755 -0.4912 -0.4912 -0.4229 -0.4229 0.0164 0.0164 0.2949 0.2949 0.5772 0.5772 1.1304 1.1304 2.0101 2.0101 6.2708 6.2708 8.3527 8.3527 8.9773 8.9773 9.4718 9.4718 k = 0.1711 0.5000-0.0000 ( 3368 PWs) bands (ev): -25.9538 -25.9538 -10.2639 -10.2639 -9.5988 -9.5988 -9.3712 -9.3712 -9.0025 -9.0025 -2.5062 -2.5062 -1.2707 -1.2707 -0.4920 -0.4920 -0.4246 -0.4246 0.0154 0.0154 0.2965 0.2965 0.5950 0.5950 1.1217 1.1217 2.0304 2.0304 6.3058 6.3058 8.3313 8.3313 8.9069 8.9069 9.3856 9.3856 k = 0.1842 0.5000-0.0000 ( 3360 PWs) bands (ev): -25.9535 -25.9535 -10.2506 -10.2506 -9.5998 -9.5998 -9.3752 -9.3752 -9.0183 -9.0183 -2.5058 -2.5058 -1.2656 -1.2656 -0.4929 -0.4929 -0.4264 -0.4264 0.0144 0.0144 0.2986 0.2986 0.6135 0.6135 1.1129 1.1129 2.0517 2.0517 6.3434 6.3434 8.3091 8.3091 8.8379 8.8379 9.2969 9.2969 k = 0.1974 0.5000-0.0000 ( 3356 PWs) bands (ev): -25.9533 -25.9533 -10.2364 -10.2364 -9.6010 -9.6010 -9.3793 -9.3793 -9.0350 -9.0350 -2.5053 -2.5053 -1.2603 -1.2603 -0.4938 -0.4938 -0.4283 -0.4283 0.0132 0.0132 0.3010 0.3010 0.6327 0.6327 1.1038 1.1038 2.0739 2.0739 6.3837 6.3837 8.2866 8.2866 8.7704 8.7704 9.2063 9.2063 k = 0.2105 0.5000-0.0000 ( 3352 PWs) bands (ev): -25.9530 -25.9530 -10.2214 -10.2214 -9.6023 -9.6023 -9.3834 -9.3834 -9.0526 -9.0526 -2.5049 -2.5049 -1.2548 -1.2548 -0.4948 -0.4948 -0.4303 -0.4303 0.0119 0.0119 0.3038 0.3038 0.6523 0.6523 1.0946 1.0946 2.0970 2.0970 6.4266 6.4266 8.2637 8.2637 8.7048 8.7048 9.1145 9.1145 k = 0.2237 0.5000-0.0000 ( 3340 PWs) bands (ev): -25.9528 -25.9528 -10.2055 -10.2055 -9.6037 -9.6037 -9.3876 -9.3876 -9.0710 -9.0710 -2.5044 -2.5044 -1.2492 -1.2492 -0.4958 -0.4958 -0.4324 -0.4324 0.0105 0.0105 0.3068 0.3068 0.6724 0.6724 1.0855 1.0855 2.1207 2.1207 6.4721 6.4721 8.2408 8.2408 8.6413 8.6413 9.0221 9.0221 k = 0.2368 0.5000-0.0000 ( 3344 PWs) bands (ev): -25.9525 -25.9525 -10.1889 -10.1889 -9.6053 -9.6053 -9.3917 -9.3917 -9.0902 -9.0902 -2.5039 -2.5039 -1.2434 -1.2434 -0.4970 -0.4970 -0.4346 -0.4346 0.0089 0.0089 0.3101 0.3101 0.6927 0.6927 1.0763 1.0763 2.1450 2.1450 6.5201 6.5201 8.2178 8.2178 8.5799 8.5799 8.9298 8.9298 k = 0.2500 0.5000-0.0000 ( 3348 PWs) bands (ev): -25.9523 -25.9523 -10.1715 -10.1715 -9.6071 -9.6071 -9.3958 -9.3958 -9.1100 -9.1100 -2.5034 -2.5034 -1.2375 -1.2375 -0.4982 -0.4982 -0.4369 -0.4369 0.0073 0.0073 0.3137 0.3137 0.7131 0.7131 1.0672 1.0672 2.1697 2.1697 6.5706 6.5706 8.1951 8.1951 8.5208 8.5208 8.8380 8.8380 k = 0.2632 0.5000-0.0000 ( 3340 PWs) bands (ev): -25.9520 -25.9520 -10.1534 -10.1534 -9.6091 -9.6091 -9.3998 -9.3998 -9.1305 -9.1305 -2.5029 -2.5029 -1.2315 -1.2315 -0.4994 -0.4994 -0.4391 -0.4391 0.0055 0.0055 0.3175 0.3175 0.7336 0.7336 1.0582 1.0582 2.1947 2.1947 6.6237 6.6237 8.1726 8.1726 8.4641 8.4641 8.7473 8.7473 k = 0.2763 0.5000-0.0000 ( 3340 PWs) bands (ev): -25.9518 -25.9518 -10.1347 -10.1347 -9.6113 -9.6113 -9.4037 -9.4037 -9.1514 -9.1514 -2.5025 -2.5025 -1.2255 -1.2255 -0.5007 -0.5007 -0.4414 -0.4414 0.0037 0.0037 0.3215 0.3215 0.7539 0.7539 1.0494 1.0494 2.2199 2.2199 6.6791 6.6791 8.1506 8.1506 8.4100 8.4100 8.6583 8.6583 k = 0.2895 0.5000-0.0000 ( 3348 PWs) bands (ev): -25.9515 -25.9515 -10.1153 -10.1153 -9.6137 -9.6137 -9.4074 -9.4074 -9.1728 -9.1728 -2.5020 -2.5020 -1.2195 -1.2195 -0.5021 -0.5021 -0.4437 -0.4437 0.0018 0.0018 0.3255 0.3255 0.7740 0.7740 1.0408 1.0408 2.2451 2.2451 6.7370 6.7370 8.1292 8.1292 8.3585 8.3585 8.5714 8.5714 k = 0.3026 0.5000-0.0000 ( 3344 PWs) bands (ev): -25.9513 -25.9513 -10.0953 -10.0953 -9.6163 -9.6163 -9.4110 -9.4110 -9.1945 -9.1945 -2.5015 -2.5015 -1.2136 -1.2136 -0.5035 -0.5035 -0.4459 -0.4459 -0.0001 -0.0001 0.3297 0.3297 0.7936 0.7936 1.0324 1.0324 2.2701 2.2701 6.7972 6.7972 8.1085 8.1085 8.3097 8.3097 8.4872 8.4872 k = 0.3158 0.5000-0.0000 ( 3340 PWs) bands (ev): -25.9510 -25.9510 -10.0748 -10.0748 -9.6192 -9.6192 -9.4144 -9.4144 -9.2165 -9.2165 -2.5011 -2.5011 -1.2077 -1.2077 -0.5050 -0.5050 -0.4481 -0.4481 -0.0020 -0.0020 0.3340 0.3340 0.8128 0.8128 1.0244 1.0244 2.2947 2.2947 6.8597 6.8597 8.0885 8.0885 8.2636 8.2636 8.4061 8.4061 k = 0.3289 0.5000-0.0000 ( 3344 PWs) bands (ev): -25.9508 -25.9508 -10.0538 -10.0538 -9.6224 -9.6224 -9.4176 -9.4176 -9.2385 -9.2385 -2.5007 -2.5007 -1.2021 -1.2021 -0.5066 -0.5066 -0.4502 -0.4502 -0.0040 -0.0040 0.3382 0.3382 0.8313 0.8313 1.0166 1.0166 2.3189 2.3189 6.9245 6.9245 8.0694 8.0694 8.2203 8.2203 8.3288 8.3288 k = 0.3421 0.5000-0.0000 ( 3342 PWs) bands (ev): -25.9506 -25.9506 -10.0325 -10.0325 -9.6259 -9.6259 -9.4205 -9.4205 -9.2604 -9.2604 -2.5003 -2.5003 -1.1966 -1.1966 -0.5081 -0.5081 -0.4522 -0.4522 -0.0059 -0.0059 0.3424 0.3424 0.8490 0.8490 1.0093 1.0093 2.3423 2.3423 6.9914 6.9914 8.0512 8.0512 8.1794 8.1794 8.2560 8.2560 k = 0.3553 0.5000-0.0000 ( 3340 PWs) bands (ev): -25.9504 -25.9504 -10.0108 -10.0108 -9.6298 -9.6298 -9.4233 -9.4233 -9.2821 -9.2821 -2.4999 -2.4999 -1.1913 -1.1913 -0.5097 -0.5097 -0.4541 -0.4541 -0.0077 -0.0077 0.3465 0.3465 0.8657 0.8657 1.0024 1.0024 2.3649 2.3649 7.0603 7.0603 8.0338 8.0338 8.1402 8.1402 8.1891 8.1891 k = 0.3684 0.5000-0.0000 ( 3342 PWs) bands (ev): -25.9502 -25.9502 -9.9890 -9.9890 -9.6341 -9.6341 -9.4258 -9.4258 -9.3034 -9.3034 -2.4995 -2.4995 -1.1863 -1.1863 -0.5112 -0.5112 -0.4558 -0.4558 -0.0095 -0.0095 0.3505 0.3505 0.8815 0.8815 0.9959 0.9959 2.3864 2.3864 7.1312 7.1312 8.0173 8.0173 8.0991 8.0991 8.1322 8.1322 k = 0.3816 0.5000-0.0000 ( 3354 PWs) bands (ev): -25.9500 -25.9500 -9.9671 -9.9671 -9.6390 -9.6390 -9.4281 -9.4281 -9.3240 -9.3240 -2.4992 -2.4992 -1.1816 -1.1816 -0.5128 -0.5128 -0.4575 -0.4575 -0.0112 -0.0112 0.3542 0.3542 0.8961 0.8961 0.9899 0.9899 2.4065 2.4065 7.2038 7.2038 8.0011 8.0011 8.0511 8.0511 8.0913 8.0913 k = 0.3947 0.5000-0.0000 ( 3360 PWs) bands (ev): -25.9499 -25.9499 -9.9452 -9.9452 -9.6445 -9.6445 -9.4302 -9.4302 -9.3437 -9.3437 -2.4989 -2.4989 -1.1773 -1.1773 -0.5142 -0.5142 -0.4589 -0.4589 -0.0127 -0.0127 0.3576 0.3576 0.9095 0.9095 0.9845 0.9845 2.4252 2.4252 7.2778 7.2778 7.9818 7.9818 8.0056 8.0056 8.0611 8.0611 k = 0.4079 0.5000-0.0000 ( 3364 PWs) bands (ev): -25.9497 -25.9497 -9.9236 -9.9236 -9.6506 -9.6506 -9.4321 -9.4321 -9.3621 -9.3621 -2.4986 -2.4986 -1.1734 -1.1734 -0.5156 -0.5156 -0.4602 -0.4602 -0.0141 -0.0141 0.3608 0.3608 0.9215 0.9215 0.9796 0.9796 2.4422 2.4422 7.3527 7.3527 7.9464 7.9464 7.9812 7.9812 8.0365 8.0365 k = 0.4211 0.5000-0.0000 ( 3376 PWs) bands (ev): -25.9496 -25.9496 -9.9026 -9.9026 -9.6574 -9.6574 -9.4337 -9.4337 -9.3790 -9.3790 -2.4984 -2.4984 -1.1699 -1.1699 -0.5169 -0.5169 -0.4614 -0.4614 -0.0154 -0.0154 0.3636 0.3636 0.9321 0.9321 0.9754 0.9754 2.4574 2.4574 7.4279 7.4279 7.9072 7.9072 7.9674 7.9674 8.0162 8.0162 k = 0.4342 0.5000-0.0000 ( 3384 PWs) bands (ev): -25.9495 -25.9495 -9.8823 -9.8823 -9.6649 -9.6649 -9.4352 -9.4352 -9.3939 -9.3939 -2.4982 -2.4982 -1.1669 -1.1669 -0.5180 -0.5180 -0.4624 -0.4624 -0.0165 -0.0165 0.3661 0.3661 0.9411 0.9411 0.9718 0.9718 2.4705 2.4705 7.5021 7.5021 7.8735 7.8735 7.9560 7.9560 7.9998 7.9998 k = 0.4474 0.5000-0.0000 ( 3378 PWs) bands (ev): -25.9494 -25.9494 -9.8633 -9.8633 -9.6729 -9.6729 -9.4364 -9.4364 -9.4066 -9.4066 -2.4980 -2.4980 -1.1644 -1.1644 -0.5189 -0.5189 -0.4631 -0.4631 -0.0174 -0.0174 0.3682 0.3682 0.9484 0.9484 0.9690 0.9690 2.4815 2.4815 7.5728 7.5728 7.8478 7.8478 7.9463 7.9463 7.9869 7.9869 k = 0.4605 0.5000-0.0000 ( 3374 PWs) bands (ev): -25.9493 -25.9493 -9.8464 -9.8464 -9.6810 -9.6810 -9.4376 -9.4376 -9.4166 -9.4166 -2.4979 -2.4979 -1.1625 -1.1625 -0.5197 -0.5197 -0.4638 -0.4638 -0.0181 -0.0181 0.3699 0.3699 0.9539 0.9539 0.9670 0.9670 2.4902 2.4902 7.6356 7.6356 7.8325 7.8325 7.9383 7.9383 7.9774 7.9774 k = 0.4737 0.5000-0.0000 ( 3374 PWs) bands (ev): -25.9493 -25.9493 -9.8325 -9.8325 -9.6884 -9.6884 -9.4387 -9.4387 -9.4236 -9.4236 -2.4978 -2.4978 -1.1610 -1.1610 -0.5203 -0.5203 -0.4642 -0.4642 -0.0186 -0.0186 0.3711 0.3711 0.9573 0.9573 0.9662 0.9662 2.4965 2.4965 7.6823 7.6823 7.8313 7.8313 7.9324 7.9324 7.9707 7.9707 k = 0.4868 0.5000-0.0000 ( 3378 PWs) bands (ev): -25.9493 -25.9493 -9.8231 -9.8231 -9.6938 -9.6938 -9.4397 -9.4397 -9.4276 -9.4276 -2.4977 -2.4977 -1.1602 -1.1602 -0.5206 -0.5206 -0.4645 -0.4645 -0.0189 -0.0189 0.3718 0.3718 0.9587 0.9587 0.9663 0.9663 2.5003 2.5003 7.7065 7.7065 7.8423 7.8423 7.9286 7.9286 7.9666 7.9666 k = 0.5000 0.5000-0.0000 ( 3384 PWs) bands (ev): -25.9493 -25.9493 -9.8197 -9.8197 -9.6959 -9.6959 -9.4401 -9.4401 -9.4289 -9.4289 -2.4977 -2.4977 -1.1599 -1.1599 -0.5208 -0.5208 -0.4646 -0.4646 -0.0191 -0.0191 0.3721 0.3721 0.9590 0.9590 0.9665 0.9665 2.5015 2.5015 7.7130 7.7130 7.8498 7.8498 7.9274 7.9274 7.9653 7.9653 k = 0.5000 0.5000-0.0000 ( 3384 PWs) bands (ev): -25.9493 -25.9493 -9.8197 -9.8197 -9.6959 -9.6959 -9.4401 -9.4401 -9.4289 -9.4289 -2.4977 -2.4977 -1.1599 -1.1599 -0.5208 -0.5208 -0.4646 -0.4646 -0.0191 -0.0191 0.3721 0.3721 0.9590 0.9590 0.9665 0.9665 2.5015 2.5015 7.7130 7.7130 7.8498 7.8498 7.9274 7.9274 7.9653 7.9653 k = 0.4906 0.4906-0.0000 ( 3382 PWs) bands (ev): -25.9493 -25.9493 -9.8232 -9.8232 -9.6938 -9.6938 -9.4397 -9.4397 -9.4276 -9.4276 -2.4977 -2.4977 -1.1602 -1.1602 -0.5206 -0.5206 -0.4645 -0.4645 -0.0189 -0.0189 0.3718 0.3718 0.9587 0.9587 0.9663 0.9663 2.5002 2.5002 7.7066 7.7066 7.8418 7.8418 7.9287 7.9287 7.9667 7.9667 k = 0.4811 0.4811-0.0000 ( 3380 PWs) bands (ev): -25.9493 -25.9493 -9.8328 -9.8328 -9.6883 -9.6883 -9.4388 -9.4388 -9.4233 -9.4233 -2.4978 -2.4978 -1.1611 -1.1611 -0.5203 -0.5203 -0.4642 -0.4642 -0.0186 -0.0186 0.3711 0.3711 0.9572 0.9572 0.9662 0.9662 2.4963 2.4963 7.6847 7.6847 7.8270 7.8270 7.9324 7.9324 7.9708 7.9708 k = 0.4717 0.4717-0.0000 ( 3380 PWs) bands (ev): -25.9493 -25.9493 -9.8468 -9.8468 -9.6809 -9.6809 -9.4380 -9.4380 -9.4158 -9.4158 -2.4979 -2.4979 -1.1625 -1.1625 -0.5197 -0.5197 -0.4638 -0.4638 -0.0181 -0.0181 0.3698 0.3698 0.9536 0.9536 0.9673 0.9673 2.4898 2.4898 7.6450 7.6450 7.8188 7.8188 7.9384 7.9384 7.9777 7.9777 k = 0.4623 0.4623-0.0000 ( 3376 PWs) bands (ev): -25.9494 -25.9494 -9.8638 -9.8638 -9.6729 -9.6729 -9.4373 -9.4373 -9.4051 -9.4051 -2.4980 -2.4980 -1.1646 -1.1646 -0.5189 -0.5189 -0.4631 -0.4631 -0.0174 -0.0174 0.3681 0.3681 0.9479 0.9479 0.9695 0.9695 2.4807 2.4807 7.5926 7.5926 7.8200 7.8200 7.9464 7.9464 7.9875 7.9875 k = 0.4528 0.4528-0.0000 ( 3380 PWs) bands (ev): -25.9495 -25.9495 -9.8825 -9.8825 -9.6653 -9.6653 -9.4367 -9.4367 -9.3917 -9.3917 -2.4982 -2.4982 -1.1671 -1.1671 -0.5178 -0.5178 -0.4623 -0.4623 -0.0164 -0.0164 0.3659 0.3659 0.9404 0.9404 0.9726 0.9726 2.4691 2.4691 7.5347 7.5347 7.8285 7.8285 7.9558 7.9558 8.0006 8.0006 k = 0.4434 0.4434-0.0000 ( 3376 PWs) bands (ev): -25.9496 -25.9496 -9.9022 -9.9022 -9.6583 -9.6583 -9.4361 -9.4361 -9.3759 -9.3759 -2.4984 -2.4984 -1.1702 -1.1702 -0.5166 -0.5166 -0.4614 -0.4614 -0.0153 -0.0153 0.3634 0.3634 0.9313 0.9313 0.9766 0.9766 2.4550 2.4550 7.4759 7.4759 7.8420 7.8420 7.9666 7.9666 8.0172 8.0172 k = 0.4340 0.4340-0.0000 ( 3368 PWs) bands (ev): -25.9498 -25.9498 -9.9224 -9.9224 -9.6522 -9.6522 -9.4354 -9.4354 -9.3583 -9.3583 -2.4987 -2.4987 -1.1738 -1.1738 -0.5152 -0.5152 -0.4603 -0.4603 -0.0140 -0.0140 0.3604 0.3604 0.9209 0.9209 0.9813 0.9813 2.4385 2.4385 7.4186 7.4186 7.8595 7.8595 7.9785 7.9785 8.0375 8.0375 k = 0.4245 0.4245-0.0000 ( 3360 PWs) bands (ev): -25.9499 -25.9499 -9.9427 -9.9427 -9.6469 -9.6469 -9.4347 -9.4347 -9.3392 -9.3392 -2.4990 -2.4990 -1.1778 -1.1778 -0.5136 -0.5136 -0.4590 -0.4590 -0.0125 -0.0125 0.3572 0.3572 0.9093 0.9093 0.9867 0.9867 2.4196 2.4196 7.3642 7.3642 7.8806 7.8807 7.9916 7.9916 8.0613 8.0613 k = 0.4151 0.4151-0.0000 ( 3354 PWs) bands (ev): -25.9501 -25.9501 -9.9628 -9.9628 -9.6424 -9.6424 -9.4339 -9.4339 -9.3192 -9.3192 -2.4993 -2.4993 -1.1823 -1.1823 -0.5119 -0.5119 -0.4577 -0.4577 -0.0109 -0.0109 0.3537 0.3537 0.8967 0.8967 0.9927 0.9927 2.3985 2.3985 7.3134 7.3134 7.9050 7.9050 8.0058 8.0058 8.0885 8.0885 k = 0.4057 0.4057-0.0000 ( 3360 PWs) bands (ev): -25.9503 -25.9503 -9.9825 -9.9825 -9.6385 -9.6385 -9.4330 -9.4330 -9.2985 -9.2985 -2.4997 -2.4997 -1.1871 -1.1871 -0.5100 -0.5100 -0.4562 -0.4562 -0.0092 -0.0092 0.3498 0.3498 0.8834 0.8834 0.9994 0.9994 2.3752 2.3752 7.2668 7.2668 7.9323 7.9323 8.0213 8.0213 8.1189 8.1189 k = 0.3962 0.3962-0.0000 ( 3360 PWs) bands (ev): -25.9505 -25.9505 -10.0017 -10.0017 -9.6352 -9.6352 -9.4320 -9.4320 -9.2776 -9.2776 -2.5002 -2.5002 -1.1923 -1.1923 -0.5081 -0.5081 -0.4547 -0.4547 -0.0074 -0.0074 0.3458 0.3458 0.8695 0.8695 1.0067 1.0067 2.3498 2.3498 7.2246 7.2246 7.9625 7.9625 8.0381 8.0381 8.1523 8.1523 k = 0.3868 0.3868-0.0000 ( 3358 PWs) bands (ev): -25.9507 -25.9507 -10.0202 -10.0202 -9.6324 -9.6324 -9.4310 -9.4310 -9.2567 -9.2567 -2.5006 -2.5006 -1.1977 -1.1977 -0.5060 -0.5060 -0.4530 -0.4530 -0.0055 -0.0055 0.3417 0.3417 0.8553 0.8553 1.0146 1.0146 2.3225 2.3225 7.1871 7.1871 7.9954 7.9954 8.0563 8.0563 8.1886 8.1886 k = 0.3774 0.3774-0.0000 ( 3350 PWs) bands (ev): -25.9510 -25.9510 -10.0379 -10.0379 -9.6299 -9.6299 -9.4298 -9.4298 -9.2361 -9.2361 -2.5011 -2.5011 -1.2034 -1.2034 -0.5037 -0.5037 -0.4513 -0.4513 -0.0036 -0.0036 0.3374 0.3374 0.8410 0.8410 1.0230 1.0230 2.2934 2.2934 7.1542 7.1542 8.0308 8.0308 8.0758 8.0758 8.2275 8.2275 k = 0.3679 0.3679-0.0000 ( 3346 PWs) bands (ev): -25.9512 -25.9512 -10.0546 -10.0546 -9.6277 -9.6277 -9.4286 -9.4286 -9.2160 -9.2160 -2.5017 -2.5017 -1.2093 -1.2093 -0.5014 -0.5014 -0.4495 -0.4495 -0.0016 -0.0016 0.3331 0.3331 0.8268 0.8268 1.0320 1.0320 2.2626 2.2626 7.1262 7.1262 8.0685 8.0685 8.0970 8.0970 8.2688 8.2688 k = 0.3585 0.3585-0.0000 ( 3350 PWs) bands (ev): -25.9515 -25.9515 -10.0704 -10.0704 -9.6258 -9.6258 -9.4273 -9.4273 -9.1966 -9.1966 -2.5023 -2.5023 -1.2154 -1.2154 -0.4991 -0.4991 -0.4477 -0.4477 0.0004 0.0004 0.3287 0.3287 0.8129 0.8129 1.0414 1.0414 2.2303 2.2303 7.1029 7.1029 8.1072 8.1072 8.1209 8.1209 8.3124 8.3124 k = 0.3491 0.3491-0.0000 ( 3346 PWs) bands (ev): -25.9518 -25.9518 -10.0850 -10.0850 -9.6242 -9.6242 -9.4259 -9.4259 -9.1781 -9.1781 -2.5030 -2.5030 -1.2216 -1.2216 -0.4967 -0.4967 -0.4459 -0.4459 0.0024 0.0024 0.3245 0.3245 0.7996 0.7996 1.0513 1.0513 2.1966 2.1966 7.0844 7.0844 8.1386 8.1386 8.1555 8.1555 8.3579 8.3579 k = 0.3396 0.3396-0.0000 ( 3342 PWs) bands (ev): -25.9521 -25.9521 -10.0986 -10.0986 -9.6227 -9.6227 -9.4244 -9.4244 -9.1607 -9.1607 -2.5037 -2.5037 -1.2279 -1.2279 -0.4943 -0.4943 -0.4440 -0.4440 0.0044 0.0044 0.3203 0.3203 0.7870 0.7870 1.0616 1.0616 2.1617 2.1617 7.0706 7.0706 8.1644 8.1644 8.1992 8.1992 8.4053 8.4053 k = 0.3302 0.3302-0.0000 ( 3348 PWs) bands (ev): -25.9524 -25.9524 -10.1109 -10.1109 -9.6214 -9.6214 -9.4229 -9.4229 -9.1444 -9.1444 -2.5044 -2.5044 -1.2342 -1.2342 -0.4919 -0.4919 -0.4422 -0.4422 0.0062 0.0062 0.3163 0.3163 0.7753 0.7753 1.0724 1.0724 2.1257 2.1257 7.0614 7.0614 8.1905 8.1905 8.2458 8.2458 8.4542 8.4542 k = 0.3208 0.3208-0.0000 ( 3348 PWs) bands (ev): -25.9528 -25.9528 -10.1220 -10.1220 -9.6203 -9.6203 -9.4212 -9.4212 -9.1295 -9.1295 -2.5052 -2.5052 -1.2405 -1.2405 -0.4894 -0.4894 -0.4404 -0.4404 0.0080 0.0080 0.3124 0.3124 0.7647 0.7647 1.0835 1.0835 2.0890 2.0890 7.0568 7.0568 8.2175 8.2175 8.2945 8.2945 8.5043 8.5043 k = 0.3113 0.3113-0.0000 ( 3348 PWs) bands (ev): -25.9531 -25.9531 -10.1319 -10.1319 -9.6193 -9.6193 -9.4195 -9.4195 -9.1159 -9.1159 -2.5060 -2.5060 -1.2468 -1.2468 -0.4869 -0.4869 -0.4387 -0.4387 0.0097 0.0097 0.3088 0.3088 0.7554 0.7554 1.0950 1.0950 2.0515 2.0515 7.0566 7.0566 8.2456 8.2456 8.3447 8.3447 8.5553 8.5553 k = 0.3019 0.3019-0.0000 ( 3354 PWs) bands (ev): -25.9535 -25.9535 -10.1404 -10.1404 -9.6185 -9.6185 -9.4177 -9.4177 -9.1039 -9.1039 -2.5068 -2.5068 -1.2530 -1.2530 -0.4844 -0.4844 -0.4370 -0.4370 0.0112 0.0112 0.3055 0.3055 0.7475 0.7475 1.1069 1.1069 2.0136 2.0136 7.0608 7.0608 8.2747 8.2747 8.3964 8.3964 8.6069 8.6069 k = 0.2925 0.2925-0.0000 ( 3362 PWs) bands (ev): -25.9538 -25.9538 -10.1476 -10.1476 -9.6177 -9.6177 -9.4159 -9.4159 -9.0935 -9.0935 -2.5077 -2.5077 -1.2591 -1.2591 -0.4819 -0.4819 -0.4354 -0.4354 0.0125 0.0125 0.3024 0.3024 0.7411 0.7411 1.1190 1.1190 1.9753 1.9753 7.0691 7.0691 8.3048 8.3048 8.4492 8.4492 8.6587 8.6587 k = 0.2830 0.2830-0.0000 ( 3366 PWs) bands (ev): -25.9542 -25.9542 -10.1535 -10.1535 -9.6171 -9.6171 -9.4140 -9.4140 -9.0848 -9.0848 -2.5087 -2.5087 -1.2652 -1.2652 -0.4795 -0.4795 -0.4339 -0.4339 0.0137 0.0137 0.2996 0.2996 0.7363 0.7363 1.1314 1.1314 1.9370 1.9370 7.0815 7.0815 8.3358 8.3358 8.5027 8.5027 8.7103 8.7103 k = 0.2736 0.2736-0.0000 ( 3376 PWs) bands (ev): -25.9546 -25.9546 -10.1580 -10.1580 -9.6166 -9.6166 -9.4121 -9.4121 -9.0778 -9.0778 -2.5096 -2.5096 -1.2710 -1.2710 -0.4770 -0.4770 -0.4324 -0.4324 0.0147 0.0147 0.2972 0.2972 0.7332 0.7332 1.1441 1.1441 1.8986 1.8986 7.0977 7.0977 8.3677 8.3677 8.5567 8.5567 8.7614 8.7614 k = 0.2642 0.2642-0.0000 ( 3364 PWs) bands (ev): -25.9550 -25.9550 -10.1611 -10.1611 -9.6162 -9.6162 -9.4101 -9.4101 -9.0725 -9.0725 -2.5106 -2.5106 -1.2767 -1.2767 -0.4746 -0.4746 -0.4310 -0.4310 0.0155 0.0155 0.2952 0.2952 0.7319 0.7319 1.1570 1.1570 1.8606 1.8606 7.1178 7.1178 8.4003 8.4003 8.6106 8.6106 8.8114 8.8114 k = 0.2547 0.2547-0.0000 ( 3360 PWs) bands (ev): -25.9553 -25.9553 -10.1628 -10.1628 -9.6159 -9.6159 -9.4080 -9.4080 -9.0689 -9.0689 -2.5116 -2.5116 -1.2822 -1.2822 -0.4722 -0.4722 -0.4297 -0.4297 0.0162 0.0162 0.2936 0.2936 0.7322 0.7322 1.1701 1.1701 1.8230 1.8230 7.1414 7.1414 8.4337 8.4337 8.6641 8.6641 8.8599 8.8599 k = 0.2453 0.2453-0.0000 ( 3364 PWs) bands (ev): -25.9557 -25.9557 -10.1632 -10.1632 -9.6157 -9.6157 -9.4060 -9.4060 -9.0672 -9.0672 -2.5126 -2.5126 -1.2876 -1.2876 -0.4698 -0.4698 -0.4286 -0.4286 0.0165 0.0165 0.2922 0.2922 0.7344 0.7344 1.1834 1.1834 1.7860 1.7860 7.1683 7.1683 8.4676 8.4676 8.7165 8.7165 8.9065 8.9065 k = 0.2358 0.2358-0.0000 ( 3362 PWs) bands (ev): -25.9561 -25.9561 -10.1621 -10.1621 -9.6157 -9.6157 -9.4039 -9.4039 -9.0673 -9.0673 -2.5136 -2.5136 -1.2927 -1.2927 -0.4675 -0.4675 -0.4275 -0.4275 0.0167 0.0167 0.2912 0.2912 0.7382 0.7382 1.1968 1.1968 1.7498 1.7498 7.1986 7.1986 8.5021 8.5021 8.7671 8.7671 8.9507 8.9507 k = 0.2264 0.2264-0.0000 ( 3358 PWs) bands (ev): -25.9565 -25.9565 -10.1597 -10.1597 -9.6157 -9.6157 -9.4018 -9.4018 -9.0691 -9.0691 -2.5147 -2.5147 -1.2975 -1.2975 -0.4653 -0.4653 -0.4266 -0.4266 0.0168 0.0168 0.2905 0.2905 0.7437 0.7437 1.2102 1.2102 1.7146 1.7146 7.2318 7.2318 8.5370 8.5370 8.8152 8.8152 8.9919 8.9919 k = 0.2170 0.2170-0.0000 ( 3358 PWs) bands (ev): -25.9568 -25.9568 -10.1560 -10.1560 -9.6158 -9.6158 -9.3998 -9.3998 -9.0726 -9.0726 -2.5158 -2.5158 -1.3022 -1.3022 -0.4631 -0.4631 -0.4258 -0.4258 0.0166 0.0166 0.2901 0.2901 0.7507 0.7507 1.2237 1.2237 1.6805 1.6805 7.2678 7.2678 8.5722 8.5722 8.8601 8.8601 9.0298 9.0298 k = 0.2075 0.2075-0.0000 ( 3358 PWs) bands (ev): -25.9572 -25.9572 -10.1510 -10.1510 -9.6161 -9.6161 -9.3977 -9.3977 -9.0778 -9.0778 -2.5168 -2.5168 -1.3065 -1.3065 -0.4610 -0.4610 -0.4251 -0.4251 0.0162 0.0162 0.2899 0.2899 0.7590 0.7590 1.2372 1.2372 1.6479 1.6479 7.3064 7.3064 8.6075 8.6075 8.9006 8.9006 9.0640 9.0640 k = 0.1981 0.1981-0.0000 ( 3354 PWs) bands (ev): -25.9576 -25.9576 -10.1446 -10.1446 -9.6165 -9.6165 -9.3957 -9.3957 -9.0847 -9.0847 -2.5179 -2.5179 -1.3107 -1.3107 -0.4589 -0.4589 -0.4244 -0.4244 0.0157 0.0157 0.2899 0.2899 0.7686 0.7686 1.2507 1.2507 1.6167 1.6167 7.3474 7.3474 8.6430 8.6430 8.9361 8.9361 9.0942 9.0942 k = 0.1887 0.1887-0.0000 ( 3358 PWs) bands (ev): -25.9580 -25.9580 -10.1371 -10.1371 -9.6169 -9.6169 -9.3938 -9.3938 -9.0931 -9.0931 -2.5189 -2.5189 -1.3146 -1.3146 -0.4569 -0.4569 -0.4239 -0.4239 0.0151 0.0151 0.2901 0.2901 0.7792 0.7792 1.2640 1.2640 1.5873 1.5873 7.3905 7.3905 8.6783 8.6783 8.9655 8.9655 9.1201 9.1201 k = 0.1792 0.1792-0.0000 ( 3362 PWs) bands (ev): -25.9583 -25.9583 -10.1283 -10.1283 -9.6176 -9.6176 -9.3919 -9.3919 -9.1029 -9.1029 -2.5200 -2.5200 -1.3182 -1.3182 -0.4550 -0.4550 -0.4236 -0.4236 0.0143 0.0143 0.2905 0.2905 0.7906 0.7906 1.2772 1.2772 1.5598 1.5598 7.4354 7.4354 8.7134 8.7134 8.9882 8.9882 9.1416 9.1416 k = 0.1698 0.1698-0.0000 ( 3354 PWs) bands (ev): -25.9587 -25.9587 -10.1183 -10.1183 -9.6183 -9.6183 -9.3901 -9.3901 -9.1141 -9.1141 -2.5210 -2.5210 -1.3216 -1.3216 -0.4532 -0.4532 -0.4232 -0.4232 0.0135 0.0135 0.2910 0.2910 0.8025 0.8025 1.2902 1.2902 1.5344 1.5344 7.4819 7.4819 8.7481 8.7481 9.0037 9.0037 9.1588 9.1588 k = 0.1604 0.1604-0.0000 ( 3362 PWs) bands (ev): -25.9590 -25.9590 -10.1072 -10.1072 -9.6192 -9.6192 -9.3884 -9.3884 -9.1266 -9.1266 -2.5220 -2.5220 -1.3248 -1.3248 -0.4515 -0.4515 -0.4230 -0.4230 0.0126 0.0126 0.2916 0.2916 0.8146 0.8146 1.3029 1.3029 1.5112 1.5112 7.5296 7.5296 8.7822 8.7822 9.0118 9.0118 9.1719 9.1719 k = 0.1509 0.1509-0.0000 ( 3354 PWs) bands (ev): -25.9593 -25.9593 -10.0951 -10.0951 -9.6202 -9.6202 -9.3868 -9.3868 -9.1400 -9.1400 -2.5229 -2.5229 -1.3277 -1.3277 -0.4498 -0.4498 -0.4228 -0.4228 0.0116 0.0116 0.2923 0.2923 0.8266 0.8266 1.3153 1.3153 1.4905 1.4905 7.5782 7.5782 8.8157 8.8157 9.0127 9.0127 9.1810 9.1810 k = 0.1415 0.1415-0.0000 ( 3352 PWs) bands (ev): -25.9596 -25.9596 -10.0821 -10.0821 -9.6214 -9.6214 -9.3854 -9.3854 -9.1544 -9.1544 -2.5239 -2.5239 -1.3304 -1.3304 -0.4482 -0.4482 -0.4227 -0.4227 0.0107 0.0107 0.2930 0.2930 0.8382 0.8382 1.3273 1.3273 1.4724 1.4724 7.6273 7.6273 8.8483 8.8483 9.0072 9.0072 9.1865 9.1865 k = 0.1321 0.1321-0.0000 ( 3356 PWs) bands (ev): -25.9599 -25.9599 -10.0681 -10.0681 -9.6228 -9.6228 -9.3842 -9.3842 -9.1696 -9.1696 -2.5248 -2.5248 -1.3328 -1.3328 -0.4468 -0.4468 -0.4227 -0.4227 0.0097 0.0097 0.2937 0.2937 0.8491 0.8491 1.3389 1.3389 1.4570 1.4570 7.6766 7.6766 8.8797 8.8797 8.9961 8.9961 9.1889 9.1889 k = 0.1226 0.1226-0.0000 ( 3354 PWs) bands (ev): -25.9602 -25.9602 -10.0535 -10.0535 -9.6244 -9.6244 -9.3832 -9.3832 -9.1852 -9.1852 -2.5256 -2.5256 -1.3351 -1.3351 -0.4455 -0.4455 -0.4227 -0.4227 0.0087 0.0087 0.2944 0.2944 0.8591 0.8591 1.3499 1.3499 1.4444 1.4444 7.7256 7.7256 8.9098 8.9098 8.9806 8.9806 9.1886 9.1886 k = 0.1132 0.1132-0.0000 ( 3350 PWs) bands (ev): -25.9605 -25.9605 -10.0381 -10.0381 -9.6262 -9.6262 -9.3825 -9.3825 -9.2011 -9.2011 -2.5264 -2.5264 -1.3371 -1.3371 -0.4442 -0.4442 -0.4227 -0.4227 0.0077 0.0077 0.2951 0.2951 0.8679 0.8679 1.3603 1.3603 1.4345 1.4345 7.7740 7.7740 8.9370 8.9370 8.9632 8.9632 9.1862 9.1862 k = 0.1038 0.1038-0.0000 ( 3354 PWs) bands (ev): -25.9607 -25.9607 -10.0223 -10.0223 -9.6283 -9.6283 -9.3820 -9.3820 -9.2170 -9.2170 -2.5272 -2.5272 -1.3389 -1.3389 -0.4431 -0.4431 -0.4228 -0.4228 0.0068 0.0068 0.2958 0.2958 0.8754 0.8754 1.3701 1.3701 1.4273 1.4273 7.8211 7.8211 8.9368 8.9368 8.9693 8.9693 9.1821 9.1821 k = 0.0943 0.0943-0.0000 ( 3359 PWs) bands (ev): -25.9610 -25.9610 -10.0061 -10.0061 -9.6307 -9.6307 -9.3820 -9.3820 -9.2327 -9.2327 -2.5279 -2.5279 -1.3405 -1.3405 -0.4420 -0.4420 -0.4230 -0.4230 0.0059 0.0059 0.2965 0.2965 0.8815 0.8815 1.3790 1.3790 1.4227 1.4227 7.8666 7.8666 8.9153 8.9153 8.9937 8.9937 9.1767 9.1767 k = 0.0849 0.0849-0.0000 ( 3353 PWs) bands (ev): -25.9612 -25.9612 -9.9898 -9.9898 -9.6334 -9.6334 -9.3824 -9.3824 -9.2477 -9.2477 -2.5286 -2.5286 -1.3420 -1.3420 -0.4411 -0.4411 -0.4230 -0.4230 0.0051 0.0051 0.2971 0.2971 0.8864 0.8864 1.3870 1.3870 1.4204 1.4204 7.9098 7.9098 8.8926 8.8926 9.0171 9.0171 9.1707 9.1707 k = 0.0755 0.0755-0.0000 ( 3355 PWs) bands (ev): -25.9614 -25.9614 -9.9735 -9.9735 -9.6364 -9.6364 -9.3833 -9.3833 -9.2618 -9.2618 -2.5292 -2.5292 -1.3432 -1.3432 -0.4403 -0.4403 -0.4232 -0.4232 0.0043 0.0043 0.2977 0.2977 0.8900 0.8900 1.3939 1.3939 1.4203 1.4203 7.9504 7.9504 8.8702 8.8702 9.0386 9.0386 9.1644 9.1644 k = 0.0660 0.0660-0.0000 ( 3361 PWs) bands (ev): -25.9615 -25.9615 -9.9576 -9.9576 -9.6396 -9.6396 -9.3847 -9.3847 -9.2747 -9.2747 -2.5297 -2.5297 -1.3443 -1.3443 -0.4396 -0.4396 -0.4233 -0.4233 0.0037 0.0037 0.2982 0.2982 0.8925 0.8925 1.3998 1.3998 1.4218 1.4218 7.9877 7.9877 8.8490 8.8490 9.0577 9.0577 9.1583 9.1583 k = 0.0566 0.0566-0.0000 ( 3361 PWs) bands (ev): -25.9617 -25.9617 -9.9424 -9.9424 -9.6431 -9.6431 -9.3867 -9.3867 -9.2859 -9.2859 -2.5302 -2.5302 -1.3452 -1.3452 -0.4389 -0.4389 -0.4234 -0.4234 0.0031 0.0031 0.2986 0.2986 0.8942 0.8942 1.4047 1.4047 1.4245 1.4245 8.0212 8.0212 8.8296 8.8296 9.0743 9.0743 9.1527 9.1527 k = 0.0472 0.0472-0.0000 ( 3361 PWs) bands (ev): -25.9618 -25.9618 -9.9283 -9.9283 -9.6468 -9.6468 -9.3892 -9.3892 -9.2952 -9.2952 -2.5306 -2.5306 -1.3460 -1.3460 -0.4384 -0.4384 -0.4235 -0.4235 0.0026 0.0026 0.2990 0.2990 0.8951 0.8951 1.4087 1.4087 1.4278 1.4278 8.0505 8.0505 8.8124 8.8124 9.0880 9.0880 9.1481 9.1481 k = 0.0377 0.0377-0.0000 ( 3361 PWs) bands (ev): -25.9619 -25.9619 -9.9157 -9.9157 -9.6503 -9.6503 -9.3919 -9.3919 -9.3027 -9.3027 -2.5309 -2.5309 -1.3466 -1.3466 -0.4380 -0.4380 -0.4236 -0.4236 0.0021 0.0021 0.2993 0.2993 0.8956 0.8956 1.4121 1.4121 1.4310 1.4310 8.0751 8.0751 8.7979 8.7979 9.0985 9.0985 9.1449 9.1449 k = 0.0283 0.0283-0.0000 ( 3361 PWs) bands (ev): -25.9620 -25.9620 -9.9051 -9.9051 -9.6536 -9.6536 -9.3946 -9.3946 -9.3082 -9.3082 -2.5312 -2.5312 -1.3471 -1.3471 -0.4377 -0.4377 -0.4236 -0.4236 0.0018 0.0018 0.2995 0.2995 0.8958 0.8958 1.4148 1.4148 1.4338 1.4338 8.0947 8.0947 8.7862 8.7862 9.1055 9.1055 9.1435 9.1435 k = 0.0189 0.0189-0.0000 ( 3361 PWs) bands (ev): -25.9621 -25.9621 -9.8970 -9.8970 -9.6563 -9.6563 -9.3969 -9.3969 -9.3120 -9.3120 -2.5314 -2.5314 -1.3475 -1.3475 -0.4374 -0.4374 -0.4237 -0.4237 0.0015 0.0015 0.2997 0.2997 0.8958 0.8958 1.4168 1.4168 1.4360 1.4360 8.1089 8.1089 8.7778 8.7778 9.1094 9.1094 9.1435 9.1435 k = 0.0094 0.0094-0.0000 ( 3363 PWs) bands (ev): -25.9621 -25.9621 -9.8919 -9.8919 -9.6581 -9.6581 -9.3984 -9.3984 -9.3142 -9.3142 -2.5315 -2.5315 -1.3477 -1.3477 -0.4373 -0.4373 -0.4237 -0.4237 0.0014 0.0014 0.2998 0.2998 0.8958 0.8958 1.4181 1.4181 1.4373 1.4373 8.1175 8.1175 8.7727 8.7727 9.1111 9.1111 9.1442 9.1442 k = 0.0000 0.0000 0.0000 ( 3365 PWs) bands (ev): -25.9621 -25.9621 -9.8902 -9.8902 -9.6587 -9.6587 -9.3989 -9.3989 -9.3149 -9.3149 -2.5315 -2.5315 -1.3477 -1.3477 -0.4373 -0.4373 -0.4237 -0.4237 0.0013 0.0013 0.2999 0.2999 0.8957 0.8957 1.4185 1.4185 1.4378 1.4378 8.1203 8.1203 8.7710 8.7710 9.1115 9.1115 9.1446 9.1446 k = 0.0000 0.0000 0.0000 ( 3365 PWs) bands (ev): -25.9621 -25.9621 -9.8902 -9.8902 -9.6587 -9.6587 -9.3989 -9.3989 -9.3149 -9.3149 -2.5315 -2.5315 -1.3477 -1.3477 -0.4373 -0.4373 -0.4237 -0.4237 0.0013 0.0013 0.2999 0.2999 0.8957 0.8957 1.4185 1.4185 1.4378 1.4378 8.1203 8.1203 8.7710 8.7710 9.1115 9.1115 9.1446 9.1446 k = 0.0000 0.0000 0.0133 ( 3365 PWs) bands (ev): -25.9621 -25.9621 -9.8899 -9.8899 -9.6587 -9.6587 -9.3989 -9.3989 -9.3149 -9.3149 -2.5409 -2.5409 -1.3370 -1.3370 -0.4385 -0.4385 -0.4245 -0.4245 0.0004 0.0004 0.2998 0.2998 0.8959 0.8959 1.4212 1.4212 1.4407 1.4407 8.1193 8.1193 8.7713 8.7713 9.1019 9.1019 9.1359 9.1359 k = 0.0000 0.0000 0.0266 ( 3353 PWs) bands (ev): -25.9621 -25.9621 -9.8890 -9.8890 -9.6588 -9.6588 -9.3990 -9.3990 -9.3149 -9.3149 -2.5681 -2.5681 -1.3060 -1.3060 -0.4420 -0.4420 -0.4266 -0.4266 -0.0023 -0.0023 0.2998 0.2998 0.8965 0.8965 1.4291 1.4291 1.4495 1.4495 8.1162 8.1162 8.7721 8.7721 9.0738 9.0738 9.1103 9.1103 k = 0.0000 0.0000 0.0400 ( 3353 PWs) bands (ev): -25.9621 -25.9621 -9.8875 -9.8875 -9.6589 -9.6589 -9.3990 -9.3990 -9.3149 -9.3149 -2.6104 -2.6104 -1.2573 -1.2573 -0.4479 -0.4479 -0.4302 -0.4302 -0.0066 -0.0066 0.2997 0.2997 0.8974 0.8974 1.4423 1.4423 1.4640 1.4640 8.1111 8.1111 8.7736 8.7736 9.0290 9.0290 9.0691 9.0691 k = 0.0000 0.0000 0.0533 ( 3353 PWs) bands (ev): -25.9621 -25.9621 -9.8855 -9.8855 -9.6591 -9.6591 -9.3992 -9.3992 -9.3149 -9.3149 -2.6646 -2.6646 -1.1945 -1.1945 -0.4558 -0.4558 -0.4353 -0.4353 -0.0124 -0.0124 0.2995 0.2995 0.8987 0.8987 1.4604 1.4604 1.4838 1.4838 8.1038 8.1038 8.7755 8.7755 8.9699 8.9699 9.0145 9.0145 k = 0.0000 0.0000 0.0666 ( 3353 PWs) bands (ev): -25.9621 -25.9621 -9.8830 -9.8830 -9.6593 -9.6593 -9.3993 -9.3993 -9.3149 -9.3149 -2.7272 -2.7272 -1.1211 -1.1211 -0.4653 -0.4653 -0.4417 -0.4417 -0.0193 -0.0193 0.2994 0.2994 0.9004 0.9004 1.4832 1.4832 1.5087 1.5087 8.0943 8.0943 8.7780 8.7780 8.8991 8.8991 8.9486 8.9486 k = 0.0000 0.0000 0.0799 ( 3365 PWs) bands (ev): -25.9621 -25.9621 -9.8799 -9.8799 -9.6595 -9.6595 -9.3995 -9.3995 -9.3149 -9.3149 -2.7957 -2.7957 -1.0400 -1.0400 -0.4759 -0.4759 -0.4496 -0.4496 -0.0271 -0.0271 0.2992 0.2992 0.9025 0.9025 1.5102 1.5102 1.5381 1.5381 8.0825 8.0825 8.7807 8.7807 8.8193 8.8193 8.8738 8.8738 k = 0.0000 0.0000 0.0933 ( 3361 PWs) bands (ev): -25.9621 -25.9621 -9.8763 -9.8763 -9.6598 -9.6598 -9.3997 -9.3997 -9.3149 -9.3149 -2.8678 -2.8678 -0.9542 -0.9542 -0.4869 -0.4869 -0.4589 -0.4589 -0.0355 -0.0355 0.2990 0.2990 0.9050 0.9050 1.5412 1.5412 1.5718 1.5718 8.0683 8.0683 8.7328 8.7328 8.7786 8.7786 8.7973 8.7973 k = 0.0000 0.0000 0.1066 ( 3361 PWs) bands (ev): -25.9621 -25.9621 -9.8723 -9.8723 -9.6601 -9.6601 -9.3999 -9.3999 -9.3149 -9.3149 -2.9420 -2.9420 -0.8666 -0.8666 -0.4967 -0.4967 -0.4693 -0.4693 -0.0441 -0.0441 0.2989 0.2989 0.9079 0.9079 1.5758 1.5758 1.6091 1.6091 8.0517 8.0517 8.6415 8.6415 8.7023 8.7023 8.7902 8.7902 k = 0.0000 0.0000 0.1199 ( 3349 PWs) bands (ev): -25.9620 -25.9620 -9.8679 -9.8679 -9.6605 -9.6605 -9.4001 -9.4001 -9.3149 -9.3149 -3.0168 -3.0168 -0.7814 -0.7814 -0.5023 -0.5023 -0.4810 -0.4810 -0.0527 -0.0527 0.2988 0.2988 0.9113 0.9113 1.6134 1.6134 1.6497 1.6497 8.0326 8.0326 8.5469 8.5469 8.6115 8.6115 8.7943 8.7943 k = 0.0000 0.0000 0.1332 ( 3349 PWs) bands (ev): -25.9620 -25.9620 -9.8630 -9.8630 -9.6609 -9.6609 -9.4003 -9.4003 -9.3149 -9.3149 -3.0915 -3.0915 -0.7074 -0.7074 -0.4957 -0.4957 -0.4937 -0.4937 -0.0612 -0.0612 0.2987 0.2987 0.9150 0.9150 1.6537 1.6537 1.6929 1.6929 8.0109 8.0109 8.4505 8.4505 8.5180 8.5180 8.7991 8.7991 k = 0.0000 0.0000 0.1466 ( 3353 PWs) bands (ev): -25.9620 -25.9620 -9.8579 -9.8579 -9.6613 -9.6613 -9.4006 -9.4006 -9.3149 -9.3149 -3.1653 -3.1653 -0.6601 -0.6601 -0.5073 -0.5073 -0.4620 -0.4620 -0.0693 -0.0693 0.2986 0.2986 0.9190 0.9190 1.6962 1.6962 1.7384 1.7384 7.9864 7.9864 8.3535 8.3535 8.4231 8.4231 8.8043 8.8043 k = 0.0000 0.0000 0.1599 ( 3349 PWs) bands (ev): -25.9620 -25.9620 -9.8525 -9.8525 -9.6618 -9.6618 -9.4009 -9.4009 -9.3149 -9.3149 -3.2375 -3.2375 -0.6452 -0.6452 -0.5216 -0.5216 -0.3962 -0.3962 -0.0769 -0.0769 0.2986 0.2986 0.9234 0.9234 1.7404 1.7404 1.7856 1.7856 7.9592 7.9592 8.2569 8.2569 8.3278 8.3278 8.8098 8.8098 k = 0.0000 0.0000 0.1732 ( 3370 PWs) bands (ev): -25.9620 -25.9620 -9.8469 -9.8469 -9.6623 -9.6623 -9.4012 -9.4012 -9.3149 -9.3149 -3.3077 -3.3077 -0.6487 -0.6487 -0.5365 -0.5365 -0.3128 -0.3128 -0.0839 -0.0839 0.2986 0.2986 0.9280 0.9280 1.7860 1.7860 1.8341 1.8341 7.9289 7.9289 8.1618 8.1618 8.2330 8.2330 8.8156 8.8156 k = 0.0000 0.0000 0.1865 ( 3370 PWs) bands (ev): -25.9620 -25.9620 -9.8411 -9.8411 -9.6628 -9.6628 -9.4015 -9.4015 -9.3149 -9.3149 -3.3755 -3.3755 -0.6597 -0.6597 -0.5517 -0.5517 -0.2230 -0.2230 -0.0904 -0.0904 0.2986 0.2986 0.9329 0.9329 1.8325 1.8325 1.8833 1.8833 7.8953 7.8953 8.0695 8.0695 8.1394 8.1394 8.8216 8.8216 k = 0.0000 0.0000 0.1999 ( 3370 PWs) bands (ev): -25.9620 -25.9620 -9.8352 -9.8352 -9.6633 -9.6633 -9.4018 -9.4018 -9.3149 -9.3149 -3.4405 -3.4405 -0.6738 -0.6738 -0.5670 -0.5670 -0.1318 -0.1318 -0.0962 -0.0962 0.2986 0.2986 0.9379 0.9379 1.8795 1.8795 1.9329 1.9329 7.8571 7.8571 7.9820 7.9820 8.0476 8.0476 8.8277 8.8277 k = 0.0000 0.0000 0.2132 ( 3374 PWs) bands (ev): -25.9620 -25.9620 -9.8292 -9.8292 -9.6639 -9.6639 -9.4021 -9.4021 -9.3149 -9.3149 -3.5024 -3.5024 -0.6890 -0.6890 -0.5822 -0.5822 -0.1015 -0.1015 -0.0415 -0.0415 0.2986 0.2986 0.9431 0.9431 1.9264 1.9264 1.9824 1.9824 7.8110 7.8110 7.9036 7.9036 7.9584 7.9584 8.8339 8.8339 k = 0.0000 0.0000 0.2265 ( 3382 PWs) bands (ev): -25.9620 -25.9620 -9.8233 -9.8233 -9.6644 -9.6644 -9.4025 -9.4025 -9.3149 -9.3149 -3.5611 -3.5611 -0.7046 -0.7046 -0.5972 -0.5972 -0.1062 -0.1062 0.0467 0.0467 0.2986 0.2986 0.9483 0.9483 1.9729 1.9729 2.0312 2.0312 7.7521 7.7521 7.8400 7.8400 7.8722 7.8722 8.8401 8.8401 k = 0.0000 0.0000 0.2398 ( 3382 PWs) bands (ev): -25.9620 -25.9620 -9.8175 -9.8175 -9.6650 -9.6650 -9.4028 -9.4028 -9.3149 -9.3149 -3.6162 -3.6162 -0.7199 -0.7199 -0.6117 -0.6117 -0.1103 -0.1103 0.1318 0.1318 0.2987 0.2987 0.9536 0.9536 2.0184 2.0184 2.0791 2.0791 7.6824 7.6824 7.7896 7.7896 7.7904 7.7904 8.8463 8.8463 k = 0.0000 0.0000 0.2532 ( 3390 PWs) bands (ev): -25.9620 -25.9620 -9.8118 -9.8118 -9.6655 -9.6655 -9.4031 -9.4031 -9.3149 -9.3149 -3.6676 -3.6676 -0.7347 -0.7347 -0.6257 -0.6257 -0.1139 -0.1139 0.2129 0.2129 0.2988 0.2988 0.9589 0.9589 2.0626 2.0626 2.1253 2.1253 7.6097 7.6097 7.7111 7.7111 7.7477 7.7477 8.8522 8.8522 k = 0.0000 0.0000 0.2665 ( 3382 PWs) bands (ev): -25.9619 -25.9619 -9.8064 -9.8064 -9.6660 -9.6660 -9.4033 -9.4033 -9.3149 -9.3149 -3.7151 -3.7151 -0.7487 -0.7487 -0.6388 -0.6388 -0.1171 -0.1171 0.2893 0.2893 0.2989 0.2989 0.9642 0.9642 2.1050 2.1050 2.1697 2.1697 7.5388 7.5388 7.6374 7.6374 7.7084 7.7084 8.8580 8.8580 k = 0.0000 0.0000 0.2798 ( 3382 PWs) bands (ev): -25.9619 -25.9619 -9.8012 -9.8012 -9.6665 -9.6665 -9.4036 -9.4036 -9.3149 -9.3149 -3.7585 -3.7585 -0.7618 -0.7618 -0.6511 -0.6511 -0.1199 -0.1199 0.2990 0.2990 0.3605 0.3605 0.9693 0.9693 2.1451 2.1451 2.2116 2.2116 7.4718 7.4718 7.5687 7.5687 7.6714 7.6714 8.8635 8.9653 k = 0.0000 0.0000 0.2931 ( 3394 PWs) bands (ev): -25.9619 -25.9619 -9.7963 -9.7963 -9.6670 -9.6670 -9.4039 -9.4039 -9.3149 -9.3149 -3.7978 -3.7978 -0.7738 -0.7738 -0.6625 -0.6625 -0.1222 -0.1222 0.2990 0.2990 0.4258 0.4258 0.9744 0.9744 2.1825 2.1825 2.2505 2.2505 7.4099 7.4099 7.5058 7.5058 7.6366 7.6366 8.8686 8.9473 k = 0.0000 0.0000 0.3065 ( 3394 PWs) bands (ev): -25.9619 -25.9619 -9.7919 -9.7919 -9.6675 -9.6675 -9.4041 -9.4041 -9.3149 -9.3149 -3.8328 -3.8328 -0.7846 -0.7846 -0.6727 -0.6727 -0.1243 -0.1243 0.2991 0.2991 0.4846 0.4846 0.9793 0.9793 2.2167 2.2167 2.2862 2.2862 7.3539 7.3539 7.4489 7.4489 7.6043 7.6043 8.9314 8.9314 k = 0.0000 0.0000 0.3198 ( 3390 PWs) bands (ev): -25.9619 -25.9619 -9.7879 -9.7879 -9.6679 -9.6679 -9.4043 -9.4043 -9.3148 -9.3148 -3.8632 -3.8632 -0.7941 -0.7941 -0.6817 -0.6817 -0.1259 -0.1259 0.2992 0.2992 0.5365 0.5365 0.9840 0.9840 2.2473 2.2473 2.3181 2.3181 7.3041 7.3041 7.3986 7.3986 7.5751 7.5751 8.9176 8.9176 k = 0.0000 0.0000 0.3331 ( 3382 PWs) bands (ev): -25.9619 -25.9619 -9.7845 -9.7845 -9.6682 -9.6682 -9.4045 -9.4045 -9.3148 -9.3148 -3.8891 -3.8891 -0.8022 -0.8022 -0.6894 -0.6894 -0.1273 -0.1273 0.2993 0.2993 0.5809 0.5809 0.9883 0.9883 2.2739 2.2739 2.3458 2.3458 7.2613 7.2613 7.3553 7.3553 7.5493 7.5493 8.9059 8.9059 k = 0.0000 0.0000 0.3464 ( 3382 PWs) bands (ev): -25.9619 -25.9619 -9.7816 -9.7816 -9.6685 -9.6685 -9.4046 -9.4046 -9.3148 -9.3148 -3.9105 -3.9105 -0.8089 -0.8089 -0.6958 -0.6958 -0.1285 -0.1285 0.2993 0.2993 0.6176 0.6176 0.9922 0.9922 2.2963 2.2963 2.3691 2.3691 7.2256 7.2256 7.3192 7.3192 7.5275 7.5275 8.8963 8.8963 k = 0.0000 0.0000 0.3598 ( 3378 PWs) bands (ev): -25.9619 -25.9619 -9.7792 -9.7792 -9.6688 -9.6688 -9.4047 -9.4047 -9.3148 -9.3148 -3.9271 -3.9271 -0.8142 -0.8142 -0.7008 -0.7008 -0.1293 -0.1293 0.2994 0.2994 0.6463 0.6463 0.9955 0.9955 2.3140 2.3140 2.3875 2.3875 7.1975 7.1975 7.2909 7.2909 7.5101 7.5101 8.8889 8.8889 k = 0.0000 0.0000 0.3731 ( 3378 PWs) bands (ev): -25.9619 -25.9619 -9.7776 -9.7776 -9.6690 -9.6690 -9.4048 -9.4048 -9.3148 -9.3148 -3.9391 -3.9391 -0.8180 -0.8180 -0.7045 -0.7045 -0.1298 -0.1298 0.2994 0.2994 0.6669 0.6669 0.9981 0.9981 2.3268 2.3268 2.4008 2.4008 7.1773 7.1773 7.2704 7.2704 7.4973 7.4973 8.8836 8.8836 k = 0.0000 0.0000 0.3864 ( 3370 PWs) bands (ev): -25.9619 -25.9619 -9.7766 -9.7766 -9.6691 -9.6691 -9.4048 -9.4048 -9.3148 -9.3148 -3.9462 -3.9462 -0.8203 -0.8203 -0.7066 -0.7066 -0.1302 -0.1302 0.2994 0.2994 0.6792 0.6792 0.9997 0.9997 2.3346 2.3346 2.4089 2.4089 7.1650 7.1650 7.2581 7.2581 7.4896 7.4896 8.8804 8.8804 k = 0.0000 0.0000 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7762 -9.7762 -9.6691 -9.6691 -9.4049 -9.4049 -9.3148 -9.3148 -3.9486 -3.9486 -0.8210 -0.8210 -0.7073 -0.7073 -0.1303 -0.1303 0.2994 0.2994 0.6834 0.6834 1.0003 1.0003 2.3372 2.3372 2.4116 2.4116 7.1609 7.1609 7.2539 7.2539 7.4870 7.4870 8.8793 8.8793 k = 0.0000 0.0000 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7762 -9.7762 -9.6691 -9.6691 -9.4049 -9.4049 -9.3148 -9.3148 -3.9486 -3.9486 -0.8210 -0.8210 -0.7073 -0.7073 -0.1303 -0.1303 0.2994 0.2994 0.6834 0.6834 1.0003 1.0003 2.3372 2.3372 2.4116 2.4116 7.1609 7.1609 7.2539 7.2539 7.4870 7.4870 8.8793 8.8793 k = 0.0000 0.0132 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7788 -9.7788 -9.6679 -9.6679 -9.4041 -9.4041 -9.3140 -9.3140 -3.9486 -3.9486 -0.8213 -0.8213 -0.7076 -0.7076 -0.1303 -0.1303 0.2994 0.2994 0.6841 0.6841 1.0006 1.0006 2.3365 2.3365 2.4109 2.4109 7.1538 7.1538 7.2465 7.2465 7.5002 7.5002 8.8817 8.8817 k = 0.0000 0.0263 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7862 -9.7862 -9.6648 -9.6648 -9.4021 -9.4021 -9.3113 -9.3113 -3.9485 -3.9485 -0.8222 -0.8222 -0.7084 -0.7084 -0.1302 -0.1302 0.2993 0.2993 0.6862 0.6862 1.0017 1.0017 2.3343 2.3343 2.4088 2.4088 7.1289 7.1289 7.2342 7.2342 7.5332 7.5332 8.8886 8.8886 k = 0.0000 0.0395 0.3997 ( 3360 PWs) bands (ev): -25.9617 -25.9617 -9.7975 -9.7975 -9.6604 -9.6604 -9.3989 -9.3989 -9.3068 -9.3068 -3.9484 -3.9484 -0.8236 -0.8236 -0.7098 -0.7098 -0.1299 -0.1299 0.2992 0.2992 0.6897 0.6897 1.0035 1.0035 2.3306 2.3306 2.4054 2.4054 7.0846 7.0846 7.2286 7.2286 7.5759 7.5759 8.8998 8.8998 k = 0.0000 0.0526 0.3997 ( 3364 PWs) bands (ev): -25.9617 -25.9617 -9.8117 -9.8117 -9.6557 -9.6557 -9.3951 -9.3951 -9.3003 -9.3003 -3.9482 -3.9482 -0.8257 -0.8257 -0.7116 -0.7116 -0.1297 -0.1297 0.2991 0.2991 0.6946 0.6946 1.0061 1.0061 2.3253 2.3253 2.4008 2.4008 7.0272 7.0272 7.2297 7.2297 7.6226 7.6226 8.9151 8.9151 k = 0.0000 0.0658 0.3997 ( 3364 PWs) bands (ev): -25.9616 -25.9616 -9.8279 -9.8279 -9.6509 -9.6509 -9.3911 -9.3911 -9.2916 -9.2916 -3.9480 -3.9480 -0.8283 -0.8283 -0.7140 -0.7140 -0.1293 -0.1293 0.2988 0.2988 0.7009 0.7009 1.0093 1.0093 2.3184 2.3184 2.3951 2.3951 6.9619 6.9619 7.2349 7.2349 7.6705 7.6705 8.9344 8.9344 k = 0.0000 0.0789 0.3997 ( 3356 PWs) bands (ev): -25.9614 -25.9614 -9.8457 -9.8457 -9.6464 -9.6464 -9.3870 -9.3870 -9.2809 -9.2809 -3.9477 -3.9477 -0.8316 -0.8316 -0.7167 -0.7167 -0.1289 -0.1289 0.2985 0.2985 0.7086 0.7086 1.0131 1.0131 2.3098 2.3098 2.3887 2.3887 6.8916 6.8916 7.2428 7.2428 7.7184 7.7184 8.9578 8.9578 k = 0.0000 0.0921 0.3997 ( 3362 PWs) bands (ev): -25.9613 -25.9613 -9.8645 -9.8645 -9.6423 -9.6423 -9.3833 -9.3833 -9.2681 -9.2681 -3.9473 -3.9473 -0.8355 -0.8355 -0.7198 -0.7198 -0.1284 -0.1284 0.2981 0.2981 0.7178 0.7178 1.0176 1.0176 2.2994 2.2994 2.3816 2.3816 6.8176 6.8176 7.2530 7.2530 7.7657 7.7657 8.9850 8.9850 k = 0.0000 0.1053 0.3997 ( 3362 PWs) bands (ev): -25.9611 -25.9611 -9.8841 -9.8841 -9.6387 -9.6387 -9.3800 -9.3800 -9.2536 -9.2536 -3.9470 -3.9470 -0.8401 -0.8401 -0.7232 -0.7232 -0.1279 -0.1279 0.2977 0.2977 0.7283 0.7283 1.0228 1.0228 2.2872 2.2872 2.3740 2.3740 6.7408 6.7408 7.2650 7.2650 7.8121 7.8121 9.0162 9.0162 k = 0.0000 0.1184 0.3997 ( 3358 PWs) bands (ev): -25.9609 -25.9609 -9.9042 -9.9042 -9.6354 -9.6354 -9.3770 -9.3770 -9.2376 -9.2376 -3.9466 -3.9466 -0.8453 -0.8453 -0.7268 -0.7268 -0.1273 -0.1273 0.2972 0.2972 0.7402 0.7402 1.0285 1.0285 2.2734 2.2734 2.3662 2.3662 6.6616 6.6616 7.2788 7.2788 7.8575 7.8575 9.0512 9.0512 k = 0.0000 0.1316 0.3997 ( 3360 PWs) bands (ev): -25.9608 -25.9608 -9.9245 -9.9245 -9.6324 -9.6324 -9.3743 -9.3743 -9.2204 -9.2204 -3.9461 -3.9461 -0.8513 -0.8513 -0.7306 -0.7306 -0.1267 -0.1267 0.2967 0.2967 0.7535 0.7535 1.0347 1.0347 2.2579 2.2579 2.3580 2.3580 6.5806 6.5806 7.2942 7.2942 7.9020 7.9020 9.0900 9.0900 k = 0.0000 0.1447 0.3997 ( 3364 PWs) bands (ev): -25.9605 -25.9605 -9.9450 -9.9450 -9.6297 -9.6297 -9.3719 -9.3719 -9.2024 -9.2024 -3.9456 -3.9456 -0.8580 -0.8580 -0.7346 -0.7346 -0.1261 -0.1261 0.2961 0.2961 0.7682 0.7682 1.0415 1.0415 2.2410 2.2410 2.3497 2.3497 6.4981 6.4981 7.3110 7.3110 7.9456 7.9456 9.1323 9.1323 k = 0.0000 0.1579 0.3997 ( 3358 PWs) bands (ev): -25.9603 -25.9603 -9.9655 -9.9655 -9.6273 -9.6273 -9.3698 -9.3698 -9.1836 -9.1836 -3.9451 -3.9451 -0.8653 -0.8653 -0.7385 -0.7385 -0.1255 -0.1255 0.2954 0.2954 0.7841 0.7841 1.0487 1.0487 2.2228 2.2228 2.3413 2.3413 6.4144 6.4144 7.3293 7.3293 7.9883 7.9883 9.1782 9.1782 k = 0.0000 0.1711 0.3997 ( 3364 PWs) bands (ev): -25.9601 -25.9601 -9.9859 -9.9859 -9.6251 -9.6251 -9.3678 -9.3678 -9.1646 -9.1646 -3.9446 -3.9446 -0.8733 -0.8733 -0.7425 -0.7425 -0.1249 -0.1249 0.2947 0.2947 0.8013 0.8013 1.0563 1.0563 2.2034 2.2034 2.3327 2.3327 6.3299 6.3299 7.3488 7.3488 8.0303 8.0303 9.2272 9.2272 k = 0.0000 0.1842 0.3997 ( 3356 PWs) bands (ev): -25.9598 -25.9598 -10.0061 -10.0061 -9.6230 -9.6230 -9.3659 -9.3659 -9.1452 -9.1452 -3.9440 -3.9440 -0.8819 -0.8819 -0.7465 -0.7465 -0.1242 -0.1242 0.2940 0.2940 0.8198 0.8198 1.0644 1.0644 2.1832 2.1832 2.3241 2.3241 6.2448 6.2448 7.3694 7.3694 8.0716 8.0716 9.2793 9.2793 k = 0.0000 0.1974 0.3997 ( 3354 PWs) bands (ev): -25.9596 -25.9596 -10.0259 -10.0259 -9.6211 -9.6211 -9.3641 -9.3641 -9.1258 -9.1258 -3.9434 -3.9434 -0.8910 -0.8910 -0.7504 -0.7504 -0.1236 -0.1236 0.2933 0.2933 0.8393 0.8393 1.0727 1.0727 2.1622 2.1622 2.3154 2.3154 6.1594 6.1594 7.3912 7.3912 8.1123 8.1123 9.3342 9.3342 k = 0.0000 0.2105 0.3997 ( 3354 PWs) bands (ev): -25.9593 -25.9593 -10.0453 -10.0453 -9.6193 -9.6193 -9.3624 -9.3624 -9.1066 -9.1066 -3.9428 -3.9428 -0.9007 -0.9007 -0.7542 -0.7542 -0.1231 -0.1231 0.2925 0.2925 0.8600 0.8600 1.0814 1.0814 2.1407 2.1407 2.3066 2.3066 6.0742 6.0742 7.4139 7.4139 8.1525 8.1525 9.3914 9.3914 k = 0.0000 0.2237 0.3997 ( 3358 PWs) bands (ev): -25.9590 -25.9590 -10.0643 -10.0643 -9.6176 -9.6176 -9.3608 -9.3608 -9.0875 -9.0875 -3.9422 -3.9422 -0.9107 -0.9107 -0.7579 -0.7579 -0.1226 -0.1226 0.2917 0.2917 0.8816 0.8816 1.0903 1.0903 2.1188 2.1188 2.2979 2.2979 5.9892 5.9892 7.4374 7.4374 8.1923 8.1923 9.4507 9.4507 k = 0.0000 0.2368 0.3997 ( 3366 PWs) bands (ev): -25.9588 -25.9588 -10.0828 -10.0828 -9.6159 -9.6159 -9.3593 -9.3593 -9.0687 -9.0687 -3.9416 -3.9416 -0.9212 -0.9212 -0.7615 -0.7615 -0.1221 -0.1221 0.2908 0.2908 0.9040 0.9040 1.0995 1.0995 2.0968 2.0968 2.2892 2.2892 5.9050 5.9050 7.4616 7.4616 8.2317 8.2317 9.5116 9.5116 k = 0.0000 0.2500 0.3997 ( 3358 PWs) bands (ev): -25.9585 -25.9585 -10.1006 -10.1006 -9.6144 -9.6144 -9.3577 -9.3577 -9.0504 -9.0504 -3.9409 -3.9409 -0.9318 -0.9318 -0.7649 -0.7649 -0.1217 -0.1217 0.2900 0.2900 0.9272 0.9272 1.1088 1.1088 2.0748 2.0748 2.2806 2.2806 5.8218 5.8218 7.4864 7.4864 8.2708 8.2708 9.5735 9.5735 k = 0.0000 0.2632 0.3997 ( 3362 PWs) bands (ev): -25.9582 -25.9582 -10.1179 -10.1179 -9.6129 -9.6129 -9.3563 -9.3563 -9.0326 -9.0326 -3.9403 -3.9403 -0.9426 -0.9426 -0.7683 -0.7683 -0.1213 -0.1213 0.2892 0.2892 0.9510 0.9510 1.1182 1.1182 2.0529 2.0529 2.2721 2.2721 5.7398 5.7398 7.5116 7.5116 8.3096 8.3096 9.6357 9.6357 k = 0.0000 0.2763 0.3997 ( 3374 PWs) bands (ev): -25.9580 -25.9580 -10.1345 -10.1345 -9.6115 -9.6115 -9.3549 -9.3549 -9.0153 -9.0153 -3.9397 -3.9397 -0.9536 -0.9536 -0.7715 -0.7715 -0.1210 -0.1210 0.2883 0.2883 0.9752 0.9752 1.1278 1.1278 2.0313 2.0313 2.2637 2.2637 5.6595 5.6595 7.5370 7.5370 8.3481 8.3481 9.6978 9.6978 k = 0.0000 0.2895 0.3997 ( 3374 PWs) bands (ev): -25.9577 -25.9577 -10.1503 -10.1503 -9.6102 -9.6102 -9.3536 -9.3536 -8.9987 -8.9987 -3.9391 -3.9391 -0.9644 -0.9644 -0.7746 -0.7746 -0.1208 -0.1208 0.2875 0.2875 0.9996 0.9996 1.1374 1.1374 2.0102 2.0102 2.2556 2.2556 5.5812 5.5812 7.5626 7.5626 8.3863 8.3863 9.7590 9.7590 k = 0.0000 0.3026 0.3997 ( 3370 PWs) bands (ev): -25.9574 -25.9574 -10.1654 -10.1654 -9.6089 -9.6089 -9.3523 -9.3523 -8.9828 -8.9828 -3.9385 -3.9385 -0.9752 -0.9752 -0.7775 -0.7775 -0.1205 -0.1205 0.2867 0.2867 1.0241 1.0241 1.1470 1.1470 1.9897 1.9897 2.2477 2.2477 5.5052 5.5052 7.5880 7.5880 8.4241 8.4241 9.8188 9.8188 k = 0.0000 0.3158 0.3997 ( 3372 PWs) bands (ev): -25.9572 -25.9572 -10.1796 -10.1796 -9.6077 -9.6077 -9.3510 -9.3510 -8.9676 -8.9676 -3.9380 -3.9380 -0.9857 -0.9857 -0.7802 -0.7802 -0.1204 -0.1204 0.2860 0.2860 1.0483 1.0483 1.1567 1.1567 1.9699 1.9699 2.2402 2.2402 5.4317 5.4317 7.6131 7.6131 8.4615 8.4615 9.8765 9.8765 k = 0.0000 0.3289 0.3997 ( 3368 PWs) bands (ev): -25.9569 -25.9569 -10.1930 -10.1930 -9.6066 -9.6066 -9.3498 -9.3498 -8.9533 -8.9533 -3.9374 -3.9374 -0.9959 -0.9959 -0.7828 -0.7828 -0.1203 -0.1203 0.2852 0.2852 1.0721 1.0721 1.1663 1.1663 1.9510 1.9510 2.2329 2.2329 5.3613 5.3613 7.6378 7.6378 8.4984 8.4984 9.9318 9.9318 k = 0.0000 0.3421 0.3997 ( 3372 PWs) bands (ev): -25.9567 -25.9567 -10.2056 -10.2056 -9.6055 -9.6055 -9.3487 -9.3487 -8.9398 -8.9398 -3.9369 -3.9369 -1.0058 -1.0058 -0.7853 -0.7853 -0.1202 -0.1202 0.2845 0.2845 1.0951 1.0951 1.1759 1.1759 1.9330 1.9330 2.2260 2.2260 5.2941 5.2941 7.6618 7.6618 8.5346 8.5346 9.9841 9.9841 k = 0.0000 0.3553 0.3997 ( 3368 PWs) bands (ev): -25.9564 -25.9564 -10.2172 -10.2172 -9.6045 -9.6045 -9.3477 -9.3477 -8.9273 -8.9273 -3.9364 -3.9364 -1.0152 -1.0152 -0.7875 -0.7875 -0.1202 -0.1202 0.2839 0.2839 1.1171 1.1171 1.1855 1.1855 1.9161 1.9161 2.2196 2.2196 5.2306 5.2306 7.6849 7.6849 8.5699 8.5699 10.0331 10.0331 k = 0.0000 0.3684 0.3997 ( 3360 PWs) bands (ev): -25.9562 -25.9562 -10.2279 -10.2279 -9.6036 -9.6036 -9.3467 -9.3467 -8.9157 -8.9157 -3.9360 -3.9360 -1.0240 -1.0240 -0.7896 -0.7896 -0.1202 -0.1202 0.2833 0.2833 1.1376 1.1376 1.1952 1.1952 1.9004 1.9004 2.2136 2.2136 5.1711 5.1711 7.7070 7.7070 8.6042 8.6042 10.0785 10.0785 k = 0.0000 0.3816 0.3997 ( 3356 PWs) bands (ev): -25.9560 -25.9560 -10.2377 -10.2377 -9.6028 -9.6028 -9.3458 -9.3458 -8.9050 -8.9050 -3.9355 -3.9355 -1.0322 -1.0322 -0.7915 -0.7915 -0.1202 -0.1202 0.2827 0.2827 1.1562 1.1562 1.2051 1.2051 1.8859 1.8859 2.2081 2.2081 5.1159 5.1159 7.7277 7.7277 8.6370 8.6370 10.1202 10.1202 k = 0.0000 0.3947 0.3997 ( 3356 PWs) bands (ev): -25.9558 -25.9558 -10.2465 -10.2465 -9.6020 -9.6020 -9.3449 -9.3449 -8.8955 -8.8955 -3.9351 -3.9351 -1.0398 -1.0398 -0.7933 -0.7933 -0.1203 -0.1203 0.2822 0.2822 1.1725 1.1725 1.2153 1.2153 1.8728 1.8728 2.2030 2.2030 5.0654 5.0654 7.7469 7.7469 8.6683 8.6683 10.1578 10.1578 k = 0.0000 0.4079 0.3997 ( 3360 PWs) bands (ev): -25.9557 -25.9557 -10.2544 -10.2544 -9.6013 -9.6013 -9.3442 -9.3442 -8.8870 -8.8870 -3.9348 -3.9348 -1.0466 -1.0466 -0.7948 -0.7948 -0.1203 -0.1203 0.2818 0.2818 1.1862 1.1862 1.2259 1.2259 1.8611 1.8611 2.1985 2.1985 5.0200 5.0200 7.7645 7.7645 8.6974 8.6974 10.1913 10.1913 k = 0.0000 0.4211 0.3997 ( 3366 PWs) bands (ev): -25.9555 -25.9555 -10.2612 -10.2612 -9.6007 -9.6007 -9.3436 -9.3436 -8.8795 -8.8795 -3.9345 -3.9345 -1.0526 -1.0526 -0.7962 -0.7962 -0.1204 -0.1204 0.2813 0.2813 1.1972 1.1972 1.2365 1.2365 1.8509 1.8509 2.1946 2.1946 4.9798 4.9798 7.7801 7.7801 8.7241 8.7241 10.2206 10.2206 k = 0.0000 0.4342 0.3997 ( 3370 PWs) bands (ev): -25.9554 -25.9554 -10.2670 -10.2670 -9.6002 -9.6002 -9.3430 -9.3430 -8.8732 -8.8732 -3.9342 -3.9342 -1.0578 -1.0578 -0.7974 -0.7974 -0.1205 -0.1205 0.2810 0.2810 1.2059 1.2059 1.2466 1.2466 1.8423 1.8423 2.1912 2.1912 4.9453 4.9453 7.7937 7.7937 8.7478 8.7478 10.2455 10.2455 k = 0.0000 0.4474 0.3997 ( 3374 PWs) bands (ev): -25.9553 -25.9553 -10.2717 -10.2717 -9.5998 -9.5998 -9.3426 -9.3426 -8.8680 -8.8680 -3.9340 -3.9340 -1.0621 -1.0621 -0.7983 -0.7983 -0.1206 -0.1206 0.2807 0.2807 1.2125 1.2125 1.2556 1.2556 1.8351 1.8351 2.1885 2.1885 4.9167 4.9167 7.8050 7.8050 8.7681 8.7681 10.2659 10.3270 k = 0.0000 0.4605 0.3997 ( 3378 PWs) bands (ev): -25.9553 -25.9553 -10.2755 -10.2755 -9.5995 -9.5995 -9.3422 -9.3422 -8.8639 -8.8639 -3.9339 -3.9339 -1.0655 -1.0655 -0.7991 -0.7991 -0.1207 -0.1207 0.2805 0.2805 1.2175 1.2175 1.2630 1.2630 1.8296 1.8296 2.1863 2.1863 4.8942 4.8942 7.8140 7.8140 8.7845 8.7845 10.3011 10.3011 k = 0.0000 0.4737 0.3997 ( 3380 PWs) bands (ev): -25.9552 -25.9552 -10.2781 -10.2781 -9.5993 -9.5993 -9.3420 -9.3420 -8.8610 -8.8610 -3.9338 -3.9338 -1.0679 -1.0679 -0.7996 -0.7996 -0.1207 -0.1207 0.2803 0.2803 1.2209 1.2209 1.2685 1.2685 1.8257 1.8257 2.1847 2.1847 4.8779 4.8779 7.8205 7.8205 8.7965 8.7965 10.2823 10.2823 k = 0.0000 0.4868 0.3997 ( 3384 PWs) bands (ev): -25.9552 -25.9552 -10.2797 -10.2797 -9.5991 -9.5991 -9.3418 -9.3418 -8.8593 -8.8593 -3.9337 -3.9337 -1.0694 -1.0694 -0.8000 -0.8000 -0.1208 -0.1208 0.2802 0.2802 1.2230 1.2230 1.2719 1.2719 1.8233 1.8233 2.1838 2.1838 4.8682 4.8682 7.8244 7.8244 8.8039 8.8039 10.2708 10.2708 k = 0.0000 0.5000 0.3997 ( 3380 PWs) bands (ev): -25.9552 -25.9552 -10.2802 -10.2802 -9.5991 -9.5991 -9.3418 -9.3418 -8.8587 -8.8587 -3.9337 -3.9337 -1.0698 -1.0698 -0.8000 -0.8000 -0.1208 -0.1208 0.2801 0.2801 1.2237 1.2237 1.2730 1.2730 1.8225 1.8225 2.1835 2.1835 4.8649 4.8649 7.8257 7.8257 8.8064 8.8064 10.2669 10.2669 k = 0.0000 0.5000 0.3997 ( 3380 PWs) bands (ev): -25.9552 -25.9552 -10.2802 -10.2802 -9.5991 -9.5991 -9.3418 -9.3418 -8.8587 -8.8587 -3.9337 -3.9337 -1.0698 -1.0698 -0.8000 -0.8000 -0.1208 -0.1208 0.2801 0.2801 1.2237 1.2237 1.2730 1.2730 1.8225 1.8225 2.1835 2.1835 4.8649 4.8649 7.8257 7.8257 8.8064 8.8064 10.2669 10.2669 k = 0.0132 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9551 -25.9551 -10.2797 -10.2797 -9.5991 -9.5991 -9.3420 -9.3420 -8.8593 -8.8593 -3.9336 -3.9336 -1.0696 -1.0696 -0.8001 -0.8001 -0.1206 -0.1206 0.2803 0.2803 1.2238 1.2238 1.2736 1.2736 1.8230 1.8230 2.1834 2.1834 4.8654 4.8654 7.8153 7.8153 8.8143 8.8143 10.2645 10.2645 k = 0.0263 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9551 -25.9551 -10.2782 -10.2782 -9.5991 -9.5991 -9.3426 -9.3426 -8.8613 -8.8613 -3.9332 -3.9332 -1.0688 -1.0688 -0.8006 -0.8006 -0.1203 -0.1203 0.2806 0.2806 1.2243 1.2243 1.2753 1.2753 1.8244 1.8244 2.1831 2.1831 4.8669 4.8669 7.7849 7.7849 8.8369 8.8369 10.2574 10.2574 k = 0.0395 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9550 -25.9550 -10.2756 -10.2756 -9.5992 -9.5992 -9.3436 -9.3436 -8.8645 -8.8645 -3.9327 -3.9327 -1.0675 -1.0675 -0.8013 -0.8013 -0.1198 -0.1198 0.2812 0.2812 1.2250 1.2250 1.2781 1.2781 1.8268 1.8268 2.1826 2.1826 4.8695 4.8695 7.7373 7.7373 8.8717 8.8717 10.2459 10.2459 k = 0.0526 0.5000 0.3997 ( 3368 PWs) bands (ev): -25.9550 -25.9550 -10.2720 -10.2720 -9.5993 -9.5993 -9.3450 -9.3450 -8.8690 -8.8690 -3.9320 -3.9320 -1.0656 -1.0656 -0.8022 -0.8022 -0.1191 -0.1191 0.2819 0.2819 1.2260 1.2260 1.2821 1.2821 1.8301 1.8301 2.1820 2.1820 4.8731 4.8731 7.6756 7.6756 8.9156 8.9156 10.2304 10.2304 k = 0.0658 0.5000 0.3997 ( 3368 PWs) bands (ev): -25.9549 -25.9549 -10.2673 -10.2673 -9.5995 -9.5995 -9.3468 -9.3468 -8.8748 -8.8748 -3.9311 -3.9311 -1.0633 -1.0633 -0.8034 -0.8034 -0.1183 -0.1183 0.2829 0.2829 1.2274 1.2274 1.2872 1.2872 1.8344 1.8344 2.1811 2.1811 4.8776 4.8776 7.6031 7.6031 8.9657 8.9657 10.2113 10.2113 k = 0.0789 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9548 -25.9548 -10.2617 -10.2617 -9.5997 -9.5997 -9.3490 -9.3490 -8.8819 -8.8819 -3.9300 -3.9300 -1.0605 -1.0605 -0.8049 -0.8049 -0.1173 -0.1173 0.2842 0.2842 1.2290 1.2290 1.2934 1.2934 1.8395 1.8395 2.1801 2.1801 4.8831 4.8831 7.5223 7.5223 9.0196 9.0196 10.1892 10.1892 k = 0.0921 0.5000 0.3997 ( 3364 PWs) bands (ev): -25.9546 -25.9546 -10.2550 -10.2550 -9.6000 -9.6000 -9.3515 -9.3515 -8.8901 -8.8901 -3.9287 -3.9287 -1.0573 -1.0573 -0.8066 -0.8066 -0.1162 -0.1162 0.2857 0.2857 1.2309 1.2309 1.3007 1.3007 1.8455 1.8455 2.1789 2.1789 4.8895 4.8895 7.4353 7.4353 9.0757 9.0757 10.1648 10.1648 k = 0.1053 0.5000 0.3997 ( 3368 PWs) bands (ev): -25.9545 -25.9545 -10.2474 -10.2474 -9.6003 -9.6003 -9.3543 -9.3543 -8.8996 -8.8996 -3.9272 -3.9272 -1.0537 -1.0537 -0.8085 -0.8085 -0.1150 -0.1150 0.2874 0.2874 1.2330 1.2330 1.3091 1.3091 1.8524 1.8524 2.1776 2.1776 4.8968 4.8968 7.3434 7.3434 9.1327 9.1327 10.1384 10.1384 k = 0.1184 0.5000 0.3997 ( 3364 PWs) bands (ev): -25.9543 -25.9543 -10.2387 -10.2387 -9.6007 -9.6007 -9.3575 -9.3575 -8.9103 -8.9103 -3.9256 -3.9256 -1.0496 -1.0496 -0.8106 -0.8106 -0.1137 -0.1137 0.2893 0.2893 1.2354 1.2354 1.3187 1.3187 1.8600 1.8600 2.1761 2.1761 4.9048 4.9048 7.2481 7.2481 9.1898 9.1898 10.1108 10.1108 k = 0.1316 0.5000 0.3997 ( 3368 PWs) bands (ev): -25.9542 -25.9542 -10.2291 -10.2291 -9.6011 -9.6011 -9.3609 -9.3609 -8.9221 -8.9221 -3.9238 -3.9238 -1.0453 -1.0453 -0.8129 -0.8129 -0.1125 -0.1125 0.2915 0.2915 1.2381 1.2381 1.3293 1.3293 1.8685 1.8685 2.1745 2.1745 4.9136 4.9136 7.1502 7.1502 9.2466 9.2466 10.0823 10.0823 k = 0.1447 0.5000 0.3997 ( 3364 PWs) bands (ev): -25.9540 -25.9540 -10.2185 -10.2185 -9.6016 -9.6016 -9.3645 -9.3645 -8.9351 -8.9351 -3.9219 -3.9219 -1.0406 -1.0406 -0.8154 -0.8154 -0.1112 -0.1112 0.2940 0.2940 1.2409 1.2409 1.3411 1.3411 1.8776 1.8776 2.1729 2.1729 4.9231 4.9231 7.0504 7.0504 9.3026 9.3026 10.0535 10.0535 k = 0.1579 0.5000 0.3997 ( 3368 PWs) bands (ev): -25.9538 -25.9538 -10.2070 -10.2070 -9.6022 -9.6022 -9.3684 -9.3684 -8.9491 -8.9491 -3.9199 -3.9199 -1.0358 -1.0358 -0.8180 -0.8180 -0.1099 -0.1099 0.2967 0.2967 1.2440 1.2440 1.3539 1.3539 1.8874 1.8874 2.1711 2.1711 4.9332 4.9332 6.9495 6.9495 9.3579 9.3579 10.0246 10.0246 k = 0.1711 0.5000 0.3997 ( 3364 PWs) bands (ev): -25.9535 -25.9535 -10.1946 -10.1946 -9.6029 -9.6029 -9.3724 -9.3724 -8.9642 -8.9642 -3.9177 -3.9177 -1.0307 -1.0307 -0.8206 -0.8206 -0.1087 -0.1087 0.2997 0.2997 1.2472 1.2472 1.3678 1.3678 1.8978 1.8978 2.1693 2.1693 4.9439 4.9439 6.8480 6.8480 9.4122 9.4122 9.9961 9.9961 k = 0.1842 0.5000 0.3997 ( 3364 PWs) bands (ev): -25.9533 -25.9533 -10.1812 -10.1812 -9.6036 -9.6036 -9.3765 -9.3765 -8.9804 -8.9804 -3.9154 -3.9154 -1.0255 -1.0255 -0.8233 -0.8233 -0.1075 -0.1075 0.3029 0.3029 1.2505 1.2505 1.3828 1.3828 1.9088 1.9088 2.1675 2.1675 4.9550 4.9550 6.7463 6.7463 9.4657 9.4657 9.9682 9.9682 k = 0.1974 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9531 -25.9531 -10.1670 -10.1670 -9.6044 -9.6044 -9.3807 -9.3807 -8.9975 -8.9975 -3.9131 -3.9131 -1.0203 -1.0203 -0.8261 -0.8261 -0.1065 -0.1065 0.3062 0.3062 1.2540 1.2540 1.3987 1.3987 1.9203 1.9203 2.1656 2.1656 4.9666 4.9666 6.6449 6.6449 9.5184 9.5184 9.9413 9.9413 k = 0.2105 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9528 -25.9528 -10.1519 -10.1519 -9.6054 -9.6054 -9.3850 -9.3850 -9.0155 -9.0155 -3.9107 -3.9107 -1.0149 -1.0149 -0.8289 -0.8289 -0.1056 -0.1056 0.3098 0.3098 1.2575 1.2575 1.4156 1.4156 1.9322 1.9322 2.1637 2.1637 4.9784 4.9784 6.5441 6.5441 9.5704 9.5704 9.9155 9.9155 k = 0.2237 0.5000 0.3997 ( 3376 PWs) bands (ev): -25.9526 -25.9526 -10.1359 -10.1359 -9.6064 -9.6064 -9.3894 -9.3894 -9.0343 -9.0343 -3.9082 -3.9082 -1.0096 -1.0096 -0.8316 -0.8316 -0.1048 -0.1048 0.3135 0.3135 1.2612 1.2612 1.4334 1.4334 1.9444 1.9444 2.1618 2.1618 4.9904 4.9904 6.4444 6.4444 9.6218 9.6218 9.8910 9.8910 k = 0.2368 0.5000 0.3997 ( 3368 PWs) bands (ev): -25.9523 -25.9523 -10.1192 -10.1192 -9.6076 -9.6076 -9.3937 -9.3937 -9.0540 -9.0540 -3.9057 -3.9057 -1.0044 -1.0044 -0.8342 -0.8342 -0.1042 -0.1042 0.3174 0.3174 1.2648 1.2648 1.4521 1.4521 1.9569 1.9569 2.1601 2.1601 5.0026 5.0026 6.3460 6.3460 9.6729 9.6729 9.8681 9.8681 k = 0.2500 0.5000 0.3997 ( 3372 PWs) bands (ev): -25.9521 -25.9521 -10.1017 -10.1017 -9.6089 -9.6089 -9.3979 -9.3979 -9.0745 -9.0745 -3.9032 -3.9032 -0.9993 -0.9993 -0.8368 -0.8368 -0.1037 -0.1037 0.3214 0.3214 1.2685 1.2685 1.4716 1.4716 1.9696 1.9696 2.1583 2.1583 5.0148 5.0148 6.2494 6.2494 9.7237 9.7237 9.8468 9.8468 k = 0.2632 0.5000 0.3997 ( 3352 PWs) bands (ev): -25.9518 -25.9518 -10.0834 -10.0834 -9.6102 -9.6102 -9.4021 -9.4021 -9.0956 -9.0956 -3.9007 -3.9007 -0.9943 -0.9943 -0.8391 -0.8391 -0.1032 -0.1032 0.3256 0.3256 1.2722 1.2722 1.4917 1.4917 1.9824 1.9824 2.1567 2.1567 5.0270 5.0270 6.1548 6.1548 9.7742 9.7742 9.8274 9.8274 k = 0.2763 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9515 -25.9515 -10.0644 -10.0644 -9.6117 -9.6117 -9.4061 -9.4061 -9.1173 -9.1173 -3.8982 -3.8982 -0.9896 -0.9896 -0.8413 -0.8413 -0.1030 -0.1030 0.3297 0.3297 1.2758 1.2758 1.5123 1.5123 1.9953 1.9953 2.1552 2.1552 5.0391 5.0391 6.0626 6.0626 9.8091 9.8091 9.8254 9.8254 k = 0.2895 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9513 -25.9513 -10.0447 -10.0447 -9.6134 -9.6134 -9.4101 -9.4101 -9.1395 -9.1395 -3.8957 -3.8957 -0.9852 -0.9852 -0.8433 -0.8433 -0.1029 -0.1029 0.3338 0.3338 1.2794 1.2794 1.5333 1.5333 2.0080 2.0080 2.1539 2.1539 5.0509 5.0509 5.9731 5.9731 9.7936 9.7936 9.8758 9.8758 k = 0.3026 0.5000 0.3997 ( 3340 PWs) bands (ev): -25.9510 -25.9510 -10.0245 -10.0245 -9.6152 -9.6152 -9.4138 -9.4138 -9.1623 -9.1623 -3.8933 -3.8933 -0.9811 -0.9811 -0.8451 -0.8451 -0.1029 -0.1029 0.3379 0.3379 1.2829 1.2829 1.5546 1.5546 2.0206 2.0206 2.1526 2.1526 5.0624 5.0624 5.8866 5.8866 9.7796 9.7796 9.9267 9.9267 k = 0.3158 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9508 -25.9508 -10.0036 -10.0036 -9.6172 -9.6172 -9.4174 -9.4174 -9.1854 -9.1854 -3.8909 -3.8909 -0.9773 -0.9773 -0.8466 -0.8466 -0.1030 -0.1030 0.3419 0.3419 1.2862 1.2862 1.5760 1.5760 2.0329 2.0329 2.1516 2.1516 5.0734 5.0734 5.8035 5.8035 9.7674 9.7674 9.9779 9.9779 k = 0.3289 0.5000 0.3997 ( 3348 PWs) bands (ev): -25.9506 -25.9506 -9.9823 -9.9823 -9.6194 -9.6194 -9.4208 -9.4208 -9.2087 -9.2087 -3.8887 -3.8887 -0.9740 -0.9740 -0.8478 -0.8478 -0.1033 -0.1033 0.3458 0.3458 1.2895 1.2895 1.5972 1.5972 2.0448 2.0448 2.1508 2.1508 5.0840 5.0840 5.7241 5.7241 9.7571 9.7571 10.0293 10.0293 k = 0.3421 0.5000 0.3997 ( 3348 PWs) bands (ev): -25.9504 -25.9504 -9.9605 -9.9605 -9.6217 -9.6217 -9.4240 -9.4240 -9.2322 -9.2322 -3.8865 -3.8865 -0.9710 -0.9710 -0.8488 -0.8488 -0.1035 -0.1035 0.3495 0.3495 1.2926 1.2926 1.6181 1.6181 2.0563 2.0563 2.1502 2.1502 5.0939 5.0939 5.6489 5.6489 9.7485 9.7485 10.0811 10.0811 k = 0.3553 0.5000 0.3997 ( 3348 PWs) bands (ev): -25.9502 -25.9502 -9.9382 -9.9382 -9.6243 -9.6243 -9.4269 -9.4269 -9.2557 -9.2557 -3.8845 -3.8845 -0.9684 -0.9684 -0.8495 -0.8495 -0.1039 -0.1039 0.3531 0.3531 1.2955 1.2955 1.6386 1.6386 2.0672 2.0672 2.1499 2.1499 5.1031 5.1031 5.5780 5.5780 9.7415 9.7415 10.1332 10.1332 k = 0.3684 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9500 -25.9500 -9.9157 -9.9157 -9.6272 -9.6272 -9.4296 -9.4296 -9.2789 -9.2789 -3.8826 -3.8826 -0.9662 -0.9662 -0.8500 -0.8500 -0.1042 -0.1042 0.3565 0.3565 1.2982 1.2982 1.6582 1.6582 2.0775 2.0775 2.1498 2.1498 5.1115 5.1115 5.5121 5.5121 9.7361 9.7361 10.1854 10.1854 k = 0.3816 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9498 -25.9498 -9.8930 -9.8930 -9.6304 -9.6304 -9.4321 -9.4321 -9.3019 -9.3019 -3.8808 -3.8808 -0.9644 -0.9644 -0.8502 -0.8502 -0.1047 -0.1047 0.3596 0.3596 1.3007 1.3007 1.6769 1.6769 2.0870 2.0870 2.1500 2.1500 5.1188 5.1188 5.4514 5.4514 9.7320 9.7320 10.2376 10.2376 k = 0.3947 0.5000 0.3997 ( 3340 PWs) bands (ev): -25.9496 -25.9496 -9.8701 -9.8701 -9.6341 -9.6341 -9.4343 -9.4343 -9.3241 -9.3241 -3.8792 -3.8792 -0.9629 -0.9629 -0.8503 -0.8503 -0.1051 -0.1051 0.3625 0.3625 1.3030 1.3030 1.6943 1.6943 2.0957 2.0957 2.1504 2.1504 5.1250 5.1250 5.3966 5.3966 9.7291 9.7291 10.2896 10.2896 k = 0.4079 0.5000 0.3997 ( 3336 PWs) bands (ev): -25.9495 -25.9495 -9.8472 -9.8472 -9.6384 -9.6384 -9.4364 -9.4364 -9.3455 -9.3455 -3.8777 -3.8777 -0.9617 -0.9617 -0.8502 -0.8502 -0.1055 -0.1055 0.3651 0.3651 1.3051 1.3051 1.7103 1.7103 2.1033 2.1033 2.1511 2.1511 5.1296 5.1296 5.3481 5.3481 9.7272 9.7272 10.3409 10.3409 k = 0.4211 0.5000 0.3997 ( 3332 PWs) bands (ev): -25.9493 -25.9493 -9.8246 -9.8246 -9.6435 -9.6435 -9.4382 -9.4382 -9.3655 -9.3655 -3.8764 -3.8764 -0.9607 -0.9607 -0.8500 -0.8500 -0.1058 -0.1058 0.3674 0.3674 1.3069 1.3069 1.7246 1.7246 2.1100 2.1100 2.1521 2.1521 5.1325 5.1325 5.3066 5.3066 9.7262 9.7262 10.3909 10.3909 k = 0.4342 0.5000 0.3997 ( 3332 PWs) bands (ev): -25.9492 -25.9492 -9.8023 -9.8023 -9.6496 -9.6496 -9.4398 -9.4398 -9.3837 -9.3837 -3.8753 -3.8753 -0.9600 -0.9600 -0.8498 -0.8498 -0.1062 -0.1062 0.3693 0.3693 1.3085 1.3085 1.7371 1.7371 2.1155 2.1155 2.1532 2.1532 5.1331 5.1331 5.2727 5.2727 9.7257 9.7257 10.4386 10.4386 k = 0.4474 0.5000 0.3997 ( 3332 PWs) bands (ev): -25.9491 -25.9491 -9.7806 -9.7806 -9.6569 -9.6569 -9.4414 -9.4414 -9.3995 -9.3995 -3.8744 -3.8744 -0.9594 -0.9594 -0.8495 -0.8495 -0.1065 -0.1065 0.3710 0.3710 1.3097 1.3097 1.7475 1.7475 2.1200 2.1200 2.1544 2.1544 5.1312 5.1312 5.2471 5.2471 9.7256 9.7256 10.4828 10.4828 k = 0.4605 0.5000 0.3997 ( 3332 PWs) bands (ev): -25.9491 -25.9491 -9.7597 -9.7597 -9.6658 -9.6658 -9.4429 -9.4429 -9.4124 -9.4124 -3.8737 -3.8737 -0.9591 -0.9591 -0.8493 -0.8493 -0.1067 -0.1067 0.3722 0.3722 1.3107 1.3107 1.7558 1.7558 2.1234 2.1234 2.1556 2.1556 5.1270 5.1270 5.2296 5.2296 9.7258 9.7258 10.5215 10.5215 k = 0.4737 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7400 -9.7400 -9.6764 -9.6764 -9.4445 -9.4445 -9.4216 -9.4216 -3.8732 -3.8732 -0.9588 -0.9588 -0.8491 -0.8491 -0.1070 -0.1070 0.3731 0.3731 1.3115 1.3115 1.7617 1.7617 2.1257 2.1257 2.1566 2.1566 5.1218 5.1218 5.2191 5.2191 9.7260 9.7260 10.5523 10.5523 k = 0.4868 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7219 -9.7219 -9.6888 -9.6888 -9.4459 -9.4459 -9.4268 -9.4268 -3.8729 -3.8729 -0.9587 -0.9587 -0.8490 -0.8490 -0.1071 -0.1071 0.3737 0.3737 1.3119 1.3119 1.7653 1.7653 2.1270 2.1270 2.1572 2.1572 5.1178 5.1178 5.2137 5.2137 9.7262 9.7262 10.5724 10.5724 k = 0.5000 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7094 -9.7094 -9.6994 -9.6994 -9.4465 -9.4465 -9.4285 -9.4285 -3.8728 -3.8728 -0.9586 -0.9586 -0.8490 -0.8490 -0.1071 -0.1071 0.3738 0.3738 1.3120 1.3120 1.7666 1.7666 2.1275 2.1275 2.1575 2.1575 5.1162 5.1162 5.2121 5.2121 9.7263 9.7263 10.5794 10.5794 k = 0.5000 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7094 -9.7094 -9.6994 -9.6994 -9.4465 -9.4465 -9.4285 -9.4285 -3.8728 -3.8728 -0.9586 -0.9586 -0.8490 -0.8490 -0.1071 -0.1071 0.3738 0.3738 1.3120 1.3120 1.7666 1.7666 2.1275 2.1275 2.1575 2.1575 5.1162 5.1162 5.2121 5.2121 9.7263 9.7263 10.5794 10.5794 k = 0.4906 0.4906 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7222 -9.7222 -9.6887 -9.6887 -9.4459 -9.4459 -9.4268 -9.4268 -3.8729 -3.8729 -0.9587 -0.9587 -0.8490 -0.8490 -0.1071 -0.1071 0.3737 0.3737 1.3119 1.3119 1.7653 1.7653 2.1270 2.1270 2.1572 2.1572 5.1179 5.1179 5.2137 5.2137 9.7262 9.7262 10.5722 10.5722 k = 0.4811 0.4811 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7404 -9.7404 -9.6762 -9.6762 -9.4446 -9.4446 -9.4212 -9.4212 -3.8732 -3.8732 -0.9588 -0.9588 -0.8491 -0.8491 -0.1070 -0.1070 0.3731 0.3731 1.3114 1.3114 1.7616 1.7616 2.1256 2.1256 2.1566 2.1566 5.1227 5.1227 5.2186 5.2186 9.7259 9.7259 10.5521 10.5521 k = 0.4717 0.4717 0.3997 ( 3336 PWs) bands (ev): -25.9491 -25.9491 -9.7602 -9.7602 -9.6657 -9.6657 -9.4433 -9.4433 -9.4115 -9.4115 -3.8737 -3.8737 -0.9590 -0.9590 -0.8493 -0.8493 -0.1068 -0.1068 0.3722 0.3722 1.3107 1.3107 1.7554 1.7554 2.1232 2.1232 2.1557 2.1557 5.1308 5.1308 5.2266 5.2266 9.7254 9.7254 10.5222 10.5222 k = 0.4623 0.4623 0.3997 ( 3336 PWs) bands (ev): -25.9491 -25.9491 -9.7810 -9.7810 -9.6571 -9.6571 -9.4423 -9.4423 -9.3980 -9.3980 -3.8744 -3.8744 -0.9594 -0.9594 -0.8495 -0.8495 -0.1065 -0.1065 0.3709 0.3709 1.3096 1.3096 1.7467 1.7467 2.1196 2.1196 2.1547 2.1547 5.1421 5.1421 5.2377 5.2377 9.7244 9.7244 10.4865 10.4865 k = 0.4528 0.4528 0.3997 ( 3334 PWs) bands (ev): -25.9492 -25.9492 -9.8023 -9.8023 -9.6501 -9.6501 -9.4414 -9.4414 -9.3813 -9.3813 -3.8754 -3.8754 -0.9598 -0.9598 -0.8498 -0.8498 -0.1062 -0.1062 0.3693 0.3693 1.3083 1.3083 1.7357 1.7357 2.1148 2.1148 2.1538 2.1538 5.1563 5.1563 5.2520 5.2520 9.7227 9.7227 10.4483 10.4483 k = 0.4434 0.4434 0.3997 ( 3342 PWs) bands (ev): -25.9494 -25.9494 -9.8239 -9.8239 -9.6447 -9.6447 -9.4407 -9.4407 -9.3623 -9.3623 -3.8765 -3.8765 -0.9604 -0.9604 -0.8501 -0.8501 -0.1058 -0.1058 0.3673 0.3673 1.3066 1.3066 1.7224 1.7224 2.1088 2.1088 2.1532 2.1532 5.1736 5.1736 5.2693 5.2693 9.7200 9.7200 10.4101 10.4101 k = 0.4340 0.4340 0.3997 ( 3346 PWs) bands (ev): -25.9495 -25.9495 -9.8455 -9.8455 -9.6403 -9.6403 -9.4399 -9.4399 -9.3417 -9.3417 -3.8778 -3.8778 -0.9611 -0.9611 -0.8503 -0.8503 -0.1054 -0.1054 0.3650 0.3650 1.3045 1.3045 1.7068 1.7068 2.1018 2.1018 2.1530 2.1530 5.1936 5.1936 5.2896 5.2896 9.7158 9.7158 10.3739 10.3739 k = 0.4245 0.4245 0.3997 ( 3342 PWs) bands (ev): -25.9497 -25.9497 -9.8669 -9.8669 -9.6367 -9.6367 -9.4390 -9.4390 -9.3199 -9.3199 -3.8793 -3.8793 -0.9619 -0.9619 -0.8504 -0.8504 -0.1049 -0.1049 0.3625 0.3625 1.3021 1.3021 1.6891 1.6891 2.0938 2.0938 2.1531 2.1531 5.2164 5.2164 5.3127 5.3127 9.7099 9.7099 10.3413 10.3413 k = 0.4151 0.4151 0.3997 ( 3338 PWs) bands (ev): -25.9498 -25.9498 -9.8878 -9.8878 -9.6338 -9.6338 -9.4381 -9.4381 -9.2975 -9.2975 -3.8810 -3.8810 -0.9628 -0.9628 -0.8504 -0.8504 -0.1044 -0.1044 0.3597 0.3597 1.2994 1.2994 1.6693 1.6693 2.0851 2.0851 2.1537 2.1537 5.2418 5.2418 5.3385 5.3385 9.7016 9.7016 10.3135 10.3135 k = 0.4057 0.4057 0.3997 ( 3342 PWs) bands (ev): -25.9500 -25.9500 -9.9082 -9.9082 -9.6314 -9.6314 -9.4372 -9.4372 -9.2748 -9.2748 -3.8828 -3.8828 -0.9638 -0.9638 -0.8502 -0.8502 -0.1040 -0.1040 0.3566 0.3566 1.2962 1.2962 1.6477 1.6477 2.0759 2.0759 2.1547 2.1547 5.2697 5.2697 5.3669 5.3669 9.6905 9.6905 10.2913 10.2913 k = 0.3962 0.3962 0.3997 ( 3346 PWs) bands (ev): -25.9503 -25.9503 -9.9279 -9.9279 -9.6294 -9.6294 -9.4361 -9.4361 -9.2521 -9.2521 -3.8847 -3.8847 -0.9649 -0.9649 -0.8499 -0.8499 -0.1035 -0.1035 0.3534 0.3534 1.2927 1.2927 1.6244 1.6244 2.0664 2.0664 2.1561 2.1561 5.3000 5.3000 5.3976 5.3976 9.6763 9.6763 10.2755 10.2755 k = 0.3868 0.3868 0.3997 ( 3356 PWs) bands (ev): -25.9505 -25.9505 -9.9468 -9.9468 -9.6278 -9.6278 -9.4350 -9.4350 -9.2297 -9.2297 -3.8868 -3.8868 -0.9660 -0.9660 -0.8493 -0.8493 -0.1030 -0.1030 0.3500 0.3500 1.2888 1.2888 1.5994 1.5994 2.0567 2.0567 2.1579 2.1579 5.3326 5.3326 5.4305 5.4305 9.6587 9.6587 10.2665 10.2665 k = 0.3774 0.3774 0.3997 ( 3358 PWs) bands (ev): -25.9507 -25.9507 -9.9647 -9.9647 -9.6263 -9.6263 -9.4338 -9.4338 -9.2079 -9.2079 -3.8890 -3.8890 -0.9671 -0.9671 -0.8485 -0.8485 -0.1025 -0.1025 0.3465 0.3465 1.2844 1.2844 1.5731 1.5731 2.0473 2.0473 2.1601 2.1601 5.3673 5.3673 5.4654 5.4654 9.6378 9.6378 10.2644 10.2644 k = 0.3679 0.3679 0.3997 ( 3358 PWs) bands (ev): -25.9510 -25.9510 -9.9816 -9.9816 -9.6250 -9.6250 -9.4325 -9.4325 -9.1867 -9.1867 -3.8913 -3.8913 -0.9682 -0.9682 -0.8473 -0.8473 -0.1021 -0.1021 0.3430 0.3430 1.2795 1.2795 1.5455 1.5455 2.0381 2.0381 2.1627 2.1627 5.4042 5.4042 5.5021 5.5021 9.6136 9.6136 10.2689 10.2689 k = 0.3585 0.3585 0.3997 ( 3362 PWs) bands (ev): -25.9513 -25.9513 -9.9975 -9.9975 -9.6240 -9.6240 -9.4311 -9.4311 -9.1665 -9.1665 -3.8937 -3.8937 -0.9693 -0.9693 -0.8459 -0.8459 -0.1018 -0.1018 0.3393 0.3393 1.2742 1.2742 1.5168 1.5168 2.0294 2.0294 2.1657 2.1657 5.4431 5.4431 5.5405 5.5405 9.5863 9.5863 10.2800 10.2800 k = 0.3491 0.3491 0.3997 ( 3362 PWs) bands (ev): -25.9516 -25.9516 -10.0123 -10.0123 -9.6230 -9.6230 -9.4297 -9.4297 -9.1472 -9.1472 -3.8961 -3.8961 -0.9701 -0.9701 -0.8443 -0.8443 -0.1014 -0.1014 0.3357 0.3357 1.2683 1.2683 1.4873 1.4873 2.0214 2.0214 2.1691 2.1691 5.4838 5.4838 5.5804 5.5804 9.5563 9.5563 10.2971 10.2971 k = 0.3396 0.3396 0.3997 ( 3370 PWs) bands (ev): -25.9519 -25.9519 -10.0258 -10.0258 -9.6222 -9.6222 -9.4281 -9.4281 -9.1292 -9.1292 -3.8986 -3.8986 -0.9708 -0.9708 -0.8423 -0.8423 -0.1012 -0.1012 0.3321 0.3321 1.2619 1.2619 1.4571 1.4571 2.0142 2.0142 2.1729 2.1729 5.5262 5.5262 5.6216 5.6216 9.5237 9.5237 10.3195 10.3195 k = 0.3302 0.3302 0.3997 ( 3374 PWs) bands (ev): -25.9522 -25.9522 -10.0381 -10.0381 -9.6214 -9.6214 -9.4265 -9.4265 -9.1125 -9.1125 -3.9011 -3.9011 -0.9713 -0.9713 -0.8401 -0.8401 -0.1011 -0.1011 0.3286 0.3286 1.2549 1.2549 1.4263 1.4263 2.0080 2.0080 2.1771 2.1771 5.5702 5.5702 5.6641 5.6641 9.4887 9.4887 10.3191 10.3191 k = 0.3208 0.3208 0.3997 ( 3362 PWs) bands (ev): -25.9526 -25.9526 -10.0492 -10.0492 -9.6208 -9.6208 -9.4247 -9.4247 -9.0971 -9.0971 -3.9036 -3.9036 -0.9713 -0.9713 -0.8375 -0.8375 -0.1010 -0.1010 0.3252 0.3252 1.2473 1.2473 1.3953 1.3953 2.0030 2.0030 2.1817 2.1817 5.6157 5.6157 5.7078 5.7078 9.4514 9.4514 10.2789 10.2789 k = 0.3113 0.3113 0.3997 ( 3362 PWs) bands (ev): -25.9529 -25.9529 -10.0589 -10.0589 -9.6203 -9.6203 -9.4230 -9.4230 -9.0833 -9.0833 -3.9062 -3.9062 -0.9711 -0.9711 -0.8347 -0.8347 -0.1011 -0.1011 0.3219 0.3219 1.2390 1.2390 1.3642 1.3642 1.9992 1.9992 2.1866 2.1866 5.6623 5.6623 5.7527 5.7527 9.4119 9.4119 10.2362 10.2362 k = 0.3019 0.3019 0.3997 ( 3354 PWs) bands (ev): -25.9532 -25.9532 -10.0672 -10.0672 -9.6198 -9.6198 -9.4211 -9.4211 -9.0711 -9.0711 -3.9087 -3.9087 -0.9703 -0.9703 -0.8317 -0.8317 -0.1013 -0.1013 0.3187 0.3187 1.2298 1.2298 1.3333 1.3333 1.9968 1.9968 2.1918 2.1918 5.7099 5.7099 5.7987 5.7987 9.3702 9.3702 10.1917 10.1917 k = 0.2925 0.2925 0.3997 ( 3362 PWs) bands (ev): -25.9536 -25.9536 -10.0743 -10.0743 -9.6195 -9.6195 -9.4192 -9.4192 -9.0606 -9.0606 -3.9112 -3.9112 -0.9691 -0.9691 -0.8284 -0.8284 -0.1017 -0.1017 0.3157 0.3157 1.2194 1.2194 1.3031 1.3031 1.9958 1.9958 2.1974 2.1974 5.7581 5.7581 5.8460 5.8460 9.3264 9.3264 10.1458 10.1458 k = 0.2830 0.2830 0.3997 ( 3366 PWs) bands (ev): -25.9540 -25.9540 -10.0799 -10.0799 -9.6192 -9.6192 -9.4172 -9.4172 -9.0518 -9.0518 -3.9137 -3.9137 -0.9674 -0.9674 -0.8249 -0.8249 -0.1022 -0.1022 0.3128 0.3128 1.2072 1.2072 1.2743 1.2743 1.9963 1.9963 2.2033 2.2033 5.8067 5.8067 5.8947 5.8947 9.2803 9.2803 10.0986 10.0986 k = 0.2736 0.2736 0.3997 ( 3358 PWs) bands (ev): -25.9543 -25.9543 -10.0841 -10.0841 -9.6191 -9.6191 -9.4152 -9.4152 -9.0447 -9.0447 -3.9161 -3.9161 -0.9651 -0.9651 -0.8212 -0.8212 -0.1027 -0.1027 0.3103 0.3103 1.1921 1.1921 1.2482 1.2482 1.9984 1.9984 2.2096 2.2096 5.8554 5.8554 5.9448 5.9448 9.2319 9.2319 10.0503 10.0503 k = 0.2642 0.2642 0.3997 ( 3358 PWs) bands (ev): -25.9547 -25.9547 -10.0870 -10.0870 -9.6190 -9.6190 -9.4131 -9.4131 -9.0395 -9.0395 -3.9185 -3.9185 -0.9622 -0.9622 -0.8173 -0.8173 -0.1035 -0.1035 0.3079 0.3079 1.1728 1.1728 1.2264 1.2264 2.0019 2.0019 2.2161 2.2161 5.9040 5.9040 5.9964 5.9964 9.1814 9.1814 10.0011 10.0011 k = 0.2547 0.2547 0.3997 ( 3358 PWs) bands (ev): -25.9551 -25.9551 -10.0884 -10.0884 -9.6190 -9.6190 -9.4110 -9.4110 -9.0361 -9.0361 -3.9208 -3.9208 -0.9588 -0.9588 -0.8132 -0.8132 -0.1043 -0.1043 0.3057 0.3057 1.1491 1.1491 1.2089 1.2089 2.0071 2.0071 2.2230 2.2230 5.9522 5.9522 6.0496 6.0496 9.1286 9.1286 9.9510 9.9510 k = 0.2453 0.2453 0.3997 ( 3356 PWs) bands (ev): -25.9555 -25.9555 -10.0884 -10.0884 -9.6191 -9.6191 -9.4089 -9.4089 -9.0346 -9.0346 -3.9231 -3.9231 -0.9547 -0.9547 -0.8090 -0.8090 -0.1053 -0.1053 0.3038 0.3038 1.1226 1.1226 1.1946 1.1946 2.0139 2.0139 2.2301 2.2301 6.0000 6.0000 6.1042 6.1042 9.0737 9.0737 9.9003 9.9003 k = 0.2358 0.2358 0.3997 ( 3366 PWs) bands (ev): -25.9559 -25.9559 -10.0870 -10.0870 -9.6192 -9.6192 -9.4068 -9.4068 -9.0350 -9.0350 -3.9253 -3.9253 -0.9501 -0.9501 -0.8046 -0.8046 -0.1064 -0.1064 0.3021 0.3021 1.0947 1.0947 1.1819 1.1819 2.0221 2.0221 2.2374 2.2374 6.0473 6.0473 6.1602 6.1602 9.0167 9.0167 9.8489 9.8489 k = 0.2264 0.2264 0.3997 ( 3364 PWs) bands (ev): -25.9562 -25.9562 -10.0842 -10.0842 -9.6195 -9.6195 -9.4047 -9.4047 -9.0371 -9.0371 -3.9273 -3.9273 -0.9449 -0.9449 -0.8001 -0.8001 -0.1076 -0.1076 0.3006 0.3006 1.0665 1.0665 1.1701 1.1701 2.0319 2.0319 2.2449 2.2449 6.0943 6.0943 6.2172 6.2172 8.9577 8.9577 9.7970 9.7970 k = 0.2170 0.2170 0.3997 ( 3368 PWs) bands (ev): -25.9566 -25.9566 -10.0801 -10.0801 -9.6199 -9.6199 -9.4025 -9.4025 -9.0411 -9.0411 -3.9293 -3.9293 -0.9393 -0.9393 -0.7955 -0.7955 -0.1089 -0.1089 0.2993 0.2993 1.0385 1.0385 1.1587 1.1587 2.0430 2.0430 2.2527 2.2527 6.1410 6.1410 6.2751 6.2751 8.8969 8.8969 9.7447 9.7447 k = 0.2075 0.2075 0.3997 ( 3364 PWs) bands (ev): -25.9570 -25.9570 -10.0746 -10.0746 -9.6203 -9.6203 -9.4004 -9.4004 -9.0468 -9.0468 -3.9312 -3.9312 -0.9331 -0.9331 -0.7908 -0.7908 -0.1102 -0.1102 0.2983 0.2983 1.0109 1.0109 1.1476 1.1476 2.0555 2.0555 2.2606 2.2606 6.1874 6.1874 6.3336 6.3336 8.8344 8.8344 9.6921 9.6921 k = 0.1981 0.1981 0.3997 ( 3356 PWs) bands (ev): -25.9573 -25.9573 -10.0677 -10.0677 -9.6208 -9.6208 -9.3984 -9.3984 -9.0542 -9.0542 -3.9329 -3.9329 -0.9266 -0.9266 -0.7860 -0.7860 -0.1116 -0.1116 0.2975 0.2975 0.9839 0.9839 1.1367 1.1367 2.0692 2.0692 2.2687 2.2687 6.2338 6.2338 6.3925 6.3925 8.7704 8.7704 9.6394 9.6394 k = 0.1887 0.1887 0.3997 ( 3368 PWs) bands (ev): -25.9577 -25.9577 -10.0595 -10.0595 -9.6214 -9.6214 -9.3964 -9.3964 -9.0633 -9.0633 -3.9346 -3.9346 -0.9197 -0.9197 -0.7811 -0.7811 -0.1131 -0.1131 0.2968 0.2968 0.9578 0.9578 1.1260 1.1260 2.0841 2.0841 2.2769 2.2769 6.2802 6.2802 6.4514 6.4514 8.7051 8.7051 9.5866 9.5866 k = 0.1792 0.1792 0.3997 ( 3368 PWs) bands (ev): -25.9581 -25.9581 -10.0501 -10.0501 -9.6221 -9.6221 -9.3945 -9.3945 -9.0739 -9.0739 -3.9361 -3.9361 -0.9126 -0.9126 -0.7762 -0.7762 -0.1145 -0.1145 0.2964 0.2964 0.9325 0.9325 1.1156 1.1156 2.0999 2.0999 2.2851 2.2851 6.3267 6.3267 6.5101 6.5101 8.6386 8.6386 9.5340 9.5340 k = 0.1698 0.1698 0.3997 ( 3368 PWs) bands (ev): -25.9584 -25.9584 -10.0395 -10.0395 -9.6229 -9.6229 -9.3926 -9.3926 -9.0859 -9.0859 -3.9376 -3.9376 -0.9052 -0.9052 -0.7712 -0.7712 -0.1160 -0.1160 0.2961 0.2961 0.9081 0.9081 1.1054 1.1054 2.1166 2.1166 2.2935 2.2935 6.3734 6.3734 6.5684 6.5684 8.5713 8.5713 9.4816 9.4816 k = 0.1604 0.1604 0.3997 ( 3368 PWs) bands (ev): -25.9588 -25.9588 -10.0277 -10.0277 -9.6238 -9.6238 -9.3909 -9.3909 -9.0993 -9.0993 -3.9390 -3.9390 -0.8978 -0.8978 -0.7662 -0.7662 -0.1174 -0.1174 0.2959 0.2959 0.8848 0.8848 1.0954 1.0954 2.1340 2.1340 2.3018 2.3018 6.4203 6.4203 6.6259 6.6259 8.5031 8.5031 9.4297 9.4297 k = 0.1509 0.1509 0.3997 ( 3364 PWs) bands (ev): -25.9591 -25.9591 -10.0147 -10.0147 -9.6248 -9.6248 -9.3893 -9.3893 -9.1138 -9.1138 -3.9402 -3.9402 -0.8903 -0.8903 -0.7612 -0.7612 -0.1188 -0.1188 0.2959 0.2959 0.8626 0.8626 1.0857 1.0857 2.1519 2.1519 2.3102 2.3102 6.4675 6.4675 6.6824 6.6824 8.4345 8.4345 9.3785 9.3785 k = 0.1415 0.1415 0.3997 ( 3360 PWs) bands (ev): -25.9594 -25.9594 -10.0008 -10.0008 -9.6260 -9.6260 -9.3878 -9.3878 -9.1294 -9.1294 -3.9413 -3.9413 -0.8830 -0.8830 -0.7562 -0.7562 -0.1201 -0.1201 0.2959 0.2959 0.8416 0.8416 1.0764 1.0764 2.1701 2.1701 2.3185 2.3185 6.5151 6.5151 6.7376 6.7376 8.3655 8.3655 9.3281 9.3281 k = 0.1321 0.1321 0.3997 ( 3362 PWs) bands (ev): -25.9597 -25.9597 -9.9858 -9.9858 -9.6273 -9.6273 -9.3865 -9.3865 -9.1459 -9.1459 -3.9424 -3.9424 -0.8758 -0.8758 -0.7512 -0.7512 -0.1214 -0.1214 0.2961 0.2961 0.8217 0.8217 1.0674 1.0674 2.1883 2.1883 2.3268 2.3268 6.5630 6.5630 6.7913 6.7913 8.2963 8.2963 9.2789 9.2789 k = 0.1226 0.1226 0.3997 ( 3362 PWs) bands (ev): -25.9600 -25.9600 -9.9700 -9.9700 -9.6287 -9.6287 -9.3855 -9.3855 -9.1630 -9.1630 -3.9433 -3.9433 -0.8688 -0.8688 -0.7463 -0.7463 -0.1226 -0.1226 0.2963 0.2963 0.8030 0.8030 1.0589 1.0589 2.2065 2.2065 2.3350 2.3350 6.6115 6.6115 6.8431 6.8431 8.2272 8.2272 9.2312 9.2312 k = 0.1132 0.1132 0.3997 ( 3360 PWs) bands (ev): -25.9602 -25.9602 -9.9533 -9.9533 -9.6304 -9.6304 -9.3847 -9.3847 -9.1807 -9.1807 -3.9442 -3.9442 -0.8621 -0.8621 -0.7415 -0.7415 -0.1238 -0.1238 0.2966 0.2966 0.7856 0.7856 1.0508 1.0508 2.2242 2.2242 2.3431 2.3431 6.6604 6.6604 6.8927 6.8927 8.1582 8.1582 9.1852 9.1852 k = 0.1038 0.1038 0.3997 ( 3368 PWs) bands (ev): -25.9605 -25.9605 -9.9360 -9.9360 -9.6323 -9.6323 -9.3842 -9.3842 -9.1985 -9.1985 -3.9450 -3.9450 -0.8559 -0.8559 -0.7368 -0.7368 -0.1249 -0.1249 0.2969 0.2969 0.7695 0.7695 1.0431 1.0431 2.2413 2.2413 2.3511 2.3511 6.7098 6.7098 6.9399 6.9399 8.0896 8.0896 9.1412 9.1412 k = 0.0943 0.0943 0.3997 ( 3368 PWs) bands (ev): -25.9607 -25.9607 -9.9182 -9.9182 -9.6344 -9.6344 -9.3841 -9.3841 -9.2162 -9.2162 -3.9457 -3.9457 -0.8500 -0.8500 -0.7324 -0.7324 -0.1259 -0.1259 0.2972 0.2972 0.7547 0.7547 1.0360 1.0360 2.2575 2.2575 2.3590 2.3590 6.7596 6.7596 6.9843 6.9843 8.0216 8.0216 9.0995 9.0995 k = 0.0849 0.0849 0.3997 ( 3370 PWs) bands (ev): -25.9609 -25.9609 -9.9000 -9.9000 -9.6369 -9.6369 -9.3845 -9.3845 -9.2335 -9.2335 -3.9463 -3.9463 -0.8446 -0.8446 -0.7281 -0.7281 -0.1267 -0.1267 0.2975 0.2975 0.7413 0.7413 1.0295 1.0295 2.2726 2.2726 2.3668 2.3668 6.8098 6.8098 7.0258 7.0258 7.9543 7.9543 9.0606 9.0606 k = 0.0755 0.0755 0.3997 ( 3378 PWs) bands (ev): -25.9611 -25.9611 -9.8816 -9.8816 -9.6398 -9.6398 -9.3854 -9.3854 -9.2500 -9.2500 -3.9468 -3.9468 -0.8398 -0.8398 -0.7241 -0.7241 -0.1275 -0.1275 0.2979 0.2979 0.7292 0.7292 1.0236 1.0236 2.2864 2.2864 2.3743 2.3743 6.8603 6.8603 7.0641 7.0641 7.8879 7.8879 9.0247 9.0247 k = 0.0660 0.0660 0.3997 ( 3376 PWs) bands (ev): -25.9613 -25.9613 -9.8633 -9.8633 -9.6431 -9.6431 -9.3870 -9.3870 -9.2652 -9.2652 -3.9473 -3.9473 -0.8354 -0.8354 -0.7205 -0.7205 -0.1282 -0.1282 0.2982 0.2982 0.7185 0.7185 1.0182 1.0182 2.2985 2.2985 2.3816 2.3816 6.9108 6.9108 7.0989 7.0989 7.8227 7.8227 8.9921 8.9921 k = 0.0566 0.0566 0.3997 ( 3368 PWs) bands (ev): -25.9614 -25.9614 -9.8453 -9.8453 -9.6468 -9.6468 -9.3892 -9.3892 -9.2787 -9.2787 -3.9476 -3.9476 -0.8316 -0.8316 -0.7171 -0.7171 -0.1288 -0.1288 0.2985 0.2985 0.7092 0.7092 1.0135 1.0135 2.3091 2.3091 2.3886 2.3886 6.9610 6.9610 7.1302 7.1302 7.7591 7.7591 8.9631 8.9631 k = 0.0472 0.0472 0.3997 ( 3372 PWs) bands (ev): -25.9616 -25.9616 -9.8281 -9.8281 -9.6510 -9.6510 -9.3922 -9.3922 -9.2903 -9.2903 -3.9480 -3.9480 -0.8284 -0.8284 -0.7142 -0.7142 -0.1293 -0.1293 0.2988 0.2988 0.7013 0.7013 1.0095 1.0095 2.3179 2.3179 2.3950 2.3950 7.0102 7.0102 7.1581 7.1581 7.6974 7.6974 8.9381 8.9381 k = 0.0377 0.0377 0.3997 ( 3372 PWs) bands (ev): -25.9617 -25.9617 -9.8121 -9.8121 -9.6556 -9.6556 -9.3956 -9.3956 -9.2995 -9.2995 -3.9482 -3.9482 -0.8257 -0.8257 -0.7118 -0.7118 -0.1297 -0.1297 0.2990 0.2990 0.6949 0.6949 1.0062 1.0062 2.3250 2.3250 2.4006 2.4006 7.0571 7.0571 7.1830 7.1830 7.6385 7.6385 8.9173 8.9173 k = 0.0283 0.0283 0.3997 ( 3366 PWs) bands (ev): -25.9617 -25.9617 -9.7979 -9.7979 -9.6603 -9.6603 -9.3990 -9.3990 -9.3065 -9.3065 -3.9483 -3.9483 -0.8237 -0.8237 -0.7099 -0.7099 -0.1300 -0.1300 0.2992 0.2992 0.6898 0.6898 1.0036 1.0036 2.3304 2.3304 2.4052 2.4052 7.0994 7.0994 7.2056 7.2056 7.5838 7.5838 8.9008 8.9008 k = 0.0189 0.0189 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7865 -9.7865 -9.6647 -9.6647 -9.4021 -9.4021 -9.3112 -9.3112 -3.9485 -3.9485 -0.8222 -0.8222 -0.7085 -0.7085 -0.1302 -0.1302 0.2993 0.2993 0.6862 0.6862 1.0018 1.0018 2.3342 2.3342 2.4087 2.4087 7.1330 7.1330 7.2271 7.2271 7.5360 7.5360 8.8889 8.8889 k = 0.0094 0.0094 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7789 -9.7789 -9.6679 -9.6679 -9.4041 -9.4041 -9.3139 -9.3139 -3.9486 -3.9486 -0.8213 -0.8213 -0.7076 -0.7076 -0.1303 -0.1303 0.2994 0.2994 0.6841 0.6841 1.0007 1.0007 2.3365 2.3365 2.4109 2.4109 7.1540 7.1540 7.2457 7.2457 7.5007 7.5007 8.8817 8.8817 k = 0.0000 0.0000 0.3997 ( 3366 PWs) bands (ev): -25.9618 -25.9618 -9.7762 -9.7762 -9.6691 -9.6691 -9.4049 -9.4049 -9.3148 -9.3148 -3.9486 -3.9486 -0.8210 -0.8210 -0.7073 -0.7073 -0.1303 -0.1303 0.2994 0.2994 0.6834 0.6834 1.0003 1.0003 2.3372 2.3372 2.4116 2.4116 7.1609 7.1609 7.2539 7.2539 7.4870 7.4870 8.8793 8.8793 k = 0.0000 0.5000-0.0000 ( 3374 PWs) bands (ev): -25.9554 -25.9554 -10.3493 -10.3493 -9.5934 -9.5934 -9.3414 -9.3414 -8.8986 -8.8986 -2.5093 -2.5093 -1.3052 -1.3052 -0.4868 -0.4868 -0.4132 -0.4132 0.0200 0.0200 0.2917 0.2917 0.4603 0.4603 1.1910 1.1910 1.8811 1.8811 6.0667 6.0667 8.4986 8.4986 9.6498 9.6498 10.0609 10.0609 k = 0.0000 0.5000 0.0133 ( 3362 PWs) bands (ev): -25.9554 -25.9554 -10.3492 -10.3492 -9.5934 -9.5934 -9.3413 -9.3413 -8.8985 -8.8985 -2.5187 -2.5187 -1.2943 -1.2943 -0.4896 -0.4896 -0.4143 -0.4143 0.0182 0.0182 0.2917 0.2917 0.4658 0.4658 1.1942 1.1942 1.8807 1.8807 6.0639 6.0639 8.5003 8.5003 9.6425 9.6425 10.0563 10.0563 k = 0.0000 0.5000 0.0266 ( 3362 PWs) bands (ev): -25.9554 -25.9554 -10.3486 -10.3486 -9.5934 -9.5934 -9.3414 -9.3414 -8.8982 -8.8982 -2.5461 -2.5461 -1.2627 -1.2627 -0.4980 -0.4980 -0.4176 -0.4176 0.0131 0.0131 0.2917 0.2917 0.4817 0.4817 1.2036 1.2036 1.8795 1.8795 6.0553 6.0553 8.5055 8.5055 9.6208 9.6208 10.0424 10.0424 k = 0.0000 0.5000 0.0400 ( 3362 PWs) bands (ev): -25.9554 -25.9554 -10.3477 -10.3477 -9.5935 -9.5935 -9.3414 -9.3414 -8.8978 -8.8978 -2.5886 -2.5886 -1.2131 -1.2131 -0.5114 -0.5114 -0.4231 -0.4231 0.0055 0.0055 0.2916 0.2916 0.5071 0.5071 1.2190 1.2190 1.8776 1.8776 6.0412 6.0412 8.5142 8.5142 9.5855 9.5855 10.0200 10.0200 k = 0.0000 0.5000 0.0533 ( 3366 PWs) bands (ev): -25.9554 -25.9554 -10.3464 -10.3464 -9.5936 -9.5936 -9.3414 -9.3414 -8.8971 -8.8971 -2.6431 -2.6431 -1.1490 -1.1490 -0.5290 -0.5290 -0.4306 -0.4306 -0.0039 -0.0039 0.2916 0.2916 0.5406 0.5406 1.2401 1.2401 1.8748 1.8748 6.0215 6.0215 8.5265 8.5265 9.5379 9.5379 9.9900 9.9900 k = 0.0000 0.5000 0.0666 ( 3370 PWs) bands (ev): -25.9554 -25.9554 -10.3448 -10.3448 -9.5938 -9.5938 -9.3414 -9.3414 -8.8962 -8.8962 -2.7061 -2.7061 -1.0741 -1.0741 -0.5501 -0.5501 -0.4401 -0.4401 -0.0142 -0.0142 0.2916 0.2916 0.5808 0.5808 1.2665 1.2665 1.8712 1.8712 5.9964 5.9964 8.5426 8.5426 9.4795 9.4795 9.9534 9.9534 k = 0.0000 0.5000 0.0799 ( 3360 PWs) bands (ev): -25.9553 -25.9553 -10.3428 -10.3428 -9.5939 -9.5939 -9.3414 -9.3414 -8.8952 -8.8952 -2.7749 -2.7749 -0.9917 -0.9917 -0.5732 -0.5732 -0.4512 -0.4512 -0.0247 -0.0247 0.2916 0.2916 0.6267 0.6267 1.2976 1.2976 1.8668 1.8668 5.9661 5.9661 8.5625 8.5625 9.4117 9.4117 9.9111 9.9111 k = 0.0000 0.5000 0.0933 ( 3352 PWs) bands (ev): -25.9553 -25.9553 -10.3406 -10.3406 -9.5941 -9.5941 -9.3414 -9.3414 -8.8940 -8.8940 -2.8474 -2.8474 -0.9054 -0.9054 -0.5966 -0.5966 -0.4634 -0.4634 -0.0350 -0.0350 0.2917 0.2917 0.6771 0.6771 1.3329 1.3329 1.8615 1.8615 5.9308 5.9308 8.5863 8.5863 9.3364 9.3364 9.8641 9.8641 k = 0.0000 0.5000 0.1066 ( 3352 PWs) bands (ev): -25.9553 -25.9553 -10.3380 -10.3380 -9.5943 -9.5943 -9.3414 -9.3414 -8.8926 -8.8926 -2.9219 -2.9219 -0.8210 -0.8210 -0.6165 -0.6165 -0.4757 -0.4757 -0.0447 -0.0447 0.2918 0.2918 0.7312 0.7312 1.3718 1.3718 1.8554 1.8554 5.8909 5.8909 8.6143 8.6143 9.2550 9.2550 9.8130 9.8130 k = 0.0000 0.5000 0.1199 ( 3358 PWs) bands (ev): -25.9553 -25.9553 -10.3352 -10.3352 -9.5946 -9.5946 -9.3414 -9.3414 -8.8911 -8.8911 -2.9972 -2.9972 -0.7550 -0.7550 -0.6201 -0.6201 -0.4851 -0.4851 -0.0537 -0.0537 0.2920 0.2920 0.7882 0.7882 1.4138 1.4138 1.8483 1.8483 5.8466 5.8466 8.6464 8.6464 9.1689 9.1689 9.7587 9.7587 k = 0.0000 0.5000 0.1332 ( 3358 PWs) bands (ev): -25.9553 -25.9553 -10.3322 -10.3322 -9.5948 -9.5948 -9.3415 -9.3415 -8.8895 -8.8895 -3.0723 -3.0723 -0.7369 -0.7369 -0.5903 -0.5903 -0.4790 -0.4790 -0.0617 -0.0617 0.2923 0.2923 0.8476 0.8476 1.4583 1.4583 1.8404 1.8404 5.7983 5.7983 8.6829 8.6829 9.0795 9.0795 9.7016 9.7016 k = 0.0000 0.5000 0.1466 ( 3358 PWs) bands (ev): -25.9553 -25.9553 -10.3290 -10.3290 -9.5951 -9.5951 -9.3415 -9.3415 -8.8877 -8.8877 -3.1465 -3.1465 -0.7518 -0.7518 -0.5719 -0.5719 -0.4282 -0.4282 -0.0688 -0.0688 0.2927 0.2927 0.9088 0.9088 1.5046 1.5046 1.8316 1.8316 5.7464 5.7464 8.7237 8.7237 8.9880 8.9880 9.6424 9.6424 k = 0.0000 0.5000 0.1599 ( 3362 PWs) bands (ev): -25.9553 -25.9553 -10.3257 -10.3257 -9.5953 -9.5953 -9.3415 -9.3415 -8.8858 -8.8858 -3.2190 -3.2190 -0.7760 -0.7760 -0.5790 -0.5790 -0.3426 -0.3426 -0.0746 -0.0746 0.2933 0.2933 0.9712 0.9712 1.5523 1.5523 1.8220 1.8220 5.6915 5.6915 8.7686 8.7686 8.8956 8.8956 9.5816 9.5816 k = 0.0000 0.5000 0.1732 ( 3354 PWs) bands (ev): -25.9553 -25.9553 -10.3222 -10.3222 -9.5956 -9.5956 -9.3415 -9.3415 -8.8839 -8.8839 -3.2896 -3.2896 -0.8026 -0.8026 -0.5942 -0.5942 -0.2472 -0.2472 -0.0785 -0.0785 0.2942 0.2942 1.0345 1.0345 1.6005 1.6005 1.8118 1.8118 5.6339 5.6339 8.7972 8.7972 8.8239 8.8239 9.5198 9.5198 k = 0.0000 0.5000 0.1865 ( 3362 PWs) bands (ev): -25.9553 -25.9553 -10.3186 -10.3186 -9.5959 -9.5959 -9.3416 -9.3416 -8.8819 -8.8819 -3.3577 -3.3577 -0.8296 -0.8296 -0.6120 -0.6120 -0.1549 -0.1549 -0.0756 -0.0756 0.2957 0.2957 1.0980 1.0980 1.6481 1.6481 1.8015 1.8015 5.5742 5.5742 8.7088 8.7088 8.8742 8.8742 9.4574 9.4574 k = 0.0000 0.5000 0.1999 ( 3364 PWs) bands (ev): -25.9552 -25.9552 -10.3150 -10.3150 -9.5962 -9.5962 -9.3416 -9.3416 -8.8798 -8.8798 -3.4230 -3.4230 -0.8562 -0.8562 -0.6307 -0.6307 -0.1074 -0.1074 -0.0272 -0.0272 0.2982 0.2982 1.1615 1.1615 1.6926 1.6926 1.7933 1.7933 5.5131 5.5131 8.6182 8.6182 8.9327 8.9327 9.3951 9.3951 k = 0.0000 0.5000 0.2132 ( 3364 PWs) bands (ev): -25.9552 -25.9552 -10.3114 -10.3114 -9.5965 -9.5965 -9.3416 -9.3416 -8.8777 -8.8777 -3.4853 -3.4853 -0.8819 -0.8819 -0.6494 -0.6494 -0.1036 -0.1036 0.0631 0.0631 0.3029 0.3029 1.2241 1.2241 1.7250 1.7250 1.7956 1.7956 5.4510 5.4510 8.5295 8.5295 8.9957 8.9957 9.3334 9.3334 k = 0.0000 0.5000 0.2265 ( 3372 PWs) bands (ev): -25.9552 -25.9552 -10.3078 -10.3078 -9.5968 -9.5968 -9.3416 -9.3416 -8.8756 -8.8756 -3.5442 -3.5442 -0.9065 -0.9065 -0.6679 -0.6679 -0.1051 -0.1051 0.1521 0.1521 0.3136 0.3136 1.2854 1.2854 1.7311 1.7311 1.8223 1.8223 5.3885 5.3885 8.4436 8.4436 9.0628 9.0628 9.2730 9.2730 k = 0.0000 0.5000 0.2398 ( 3372 PWs) bands (ev): -25.9552 -25.9552 -10.3043 -10.3043 -9.5971 -9.5971 -9.3417 -9.3417 -8.8735 -8.8735 -3.5996 -3.5996 -0.9296 -0.9296 -0.6857 -0.6857 -0.1073 -0.1073 0.2220 0.2220 0.3432 0.3432 1.3446 1.3446 1.7211 1.7211 1.8629 1.8629 5.3265 5.3265 8.3611 8.3611 9.1324 9.1324 9.2161 9.2161 k = 0.0000 0.5000 0.2532 ( 3374 PWs) bands (ev): -25.9552 -25.9552 -10.3009 -10.3009 -9.5974 -9.5974 -9.3417 -9.3417 -8.8715 -8.8715 -3.6512 -3.6512 -0.9513 -0.9513 -0.7027 -0.7027 -0.1096 -0.1096 0.2558 0.2558 0.4071 0.4071 1.4003 1.4003 1.7064 1.7064 1.9061 1.9061 5.2654 5.2654 8.2827 8.2827 9.1500 9.1500 9.2176 9.2176 k = 0.0000 0.5000 0.2665 ( 3358 PWs) bands (ev): -25.9552 -25.9552 -10.2976 -10.2976 -9.5976 -9.5976 -9.3417 -9.3417 -8.8695 -8.8695 -3.6989 -3.6989 -0.9713 -0.9713 -0.7186 -0.7186 -0.1116 -0.1116 0.2680 0.2680 0.4906 0.4906 1.4508 1.4508 1.6913 1.6913 1.9486 1.9486 5.2060 5.2060 8.2089 8.2089 9.0988 9.0988 9.2946 9.2946 k = 0.0000 0.5000 0.2798 ( 3358 PWs) bands (ev): -25.9552 -25.9552 -10.2946 -10.2946 -9.5979 -9.5979 -9.3417 -9.3417 -8.8677 -8.8677 -3.7425 -3.7425 -0.9896 -0.9896 -0.7334 -0.7334 -0.1134 -0.1134 0.2732 0.2732 0.5784 0.5784 1.4921 1.4921 1.6794 1.6794 1.9892 1.9892 5.1491 5.1491 8.1402 8.1402 9.0481 9.0481 9.3783 9.3783 k = 0.0000 0.5000 0.2931 ( 3358 PWs) bands (ev): -25.9552 -25.9552 -10.2918 -10.2918 -9.5981 -9.5981 -9.3417 -9.3417 -8.8659 -8.8659 -3.7820 -3.7820 -1.0062 -1.0062 -0.7469 -0.7469 -0.1150 -0.1150 0.2759 0.2759 0.6657 0.6657 1.5174 1.5174 1.6773 1.6773 2.0271 2.0271 5.0954 5.0954 8.0772 8.0772 9.0008 9.0008 9.4662 9.4662 k = 0.0000 0.5000 0.3065 ( 3368 PWs) bands (ev): -25.9552 -25.9552 -10.2892 -10.2892 -9.5983 -9.5983 -9.3417 -9.3417 -8.8643 -8.8643 -3.8171 -3.8171 -1.0210 -1.0210 -0.7591 -0.7591 -0.1164 -0.1164 0.2774 0.2774 0.7508 0.7508 1.5206 1.5206 1.6905 1.6905 2.0617 2.0617 5.0456 5.0456 8.0203 8.0203 8.9575 8.9575 9.5580 9.5580 k = 0.0000 0.5000 0.3198 ( 3364 PWs) bands (ev): -25.9552 -25.9552 -10.2869 -10.2869 -9.5985 -9.5985 -9.3417 -9.3417 -8.8629 -8.8629 -3.8477 -3.8477 -1.0338 -1.0338 -0.7697 -0.7697 -0.1176 -0.1176 0.2784 0.2784 0.8329 0.8329 1.5046 1.5046 1.7152 1.7152 2.0927 2.0927 5.0005 5.0005 7.9701 7.9701 8.9189 8.9189 9.6533 9.6533 k = 0.0000 0.5000 0.3331 ( 3360 PWs) bands (ev): -25.9551 -25.9551 -10.2849 -10.2849 -9.5987 -9.5987 -9.3417 -9.3417 -8.8616 -8.8616 -3.8738 -3.8738 -1.0448 -1.0448 -0.7789 -0.7789 -0.1186 -0.1186 0.2791 0.2791 0.9116 0.9116 1.4768 1.4768 1.7434 1.7434 2.1197 2.1197 4.9608 4.9608 7.9268 7.9268 8.8854 8.8854 9.7519 9.7519 k = 0.0000 0.5000 0.3464 ( 3364 PWs) bands (ev): -25.9551 -25.9551 -10.2832 -10.2832 -9.5988 -9.5988 -9.3417 -9.3417 -8.8606 -8.8606 -3.8952 -3.8952 -1.0538 -1.0538 -0.7864 -0.7864 -0.1193 -0.1193 0.2796 0.2796 0.9865 0.9865 1.4416 1.4416 1.7699 1.7699 2.1422 2.1422 4.9272 4.9272 7.8908 7.8908 8.8575 8.8575 9.8536 9.8536 k = 0.0000 0.5000 0.3598 ( 3372 PWs) bands (ev): -25.9551 -25.9551 -10.2819 -10.2819 -9.5989 -9.5989 -9.3418 -9.3418 -8.8598 -8.8598 -3.9120 -3.9120 -1.0608 -1.0608 -0.7924 -0.7924 -0.1200 -0.1200 0.2798 0.2798 1.0573 1.0573 1.4010 1.4010 1.7921 1.7921 2.1601 2.1601 4.9004 4.9004 7.8625 7.8625 8.8353 8.8353 9.9579 9.9579 k = 0.0000 0.5000 0.3731 ( 3368 PWs) bands (ev): -25.9551 -25.9551 -10.2810 -10.2810 -9.5990 -9.5990 -9.3417 -9.3417 -8.8592 -8.8592 -3.9240 -3.9240 -1.0658 -1.0658 -0.7966 -0.7966 -0.1204 -0.1204 0.2800 0.2800 1.1237 1.1237 1.3560 1.3560 1.8088 1.8088 2.1731 2.1731 4.8808 4.8808 7.8422 7.8422 8.8193 8.8193 10.0646 10.0646 k = 0.0000 0.5000 0.3864 ( 3380 PWs) bands (ev): -25.9552 -25.9552 -10.2804 -10.2804 -9.5991 -9.5991 -9.3418 -9.3418 -8.8588 -8.8588 -3.9312 -3.9312 -1.0688 -1.0688 -0.7992 -0.7992 -0.1207 -0.1207 0.2801 0.2801 1.1843 1.1843 1.3081 1.3081 1.8191 1.8191 2.1809 2.1809 4.8689 4.8689 7.8298 7.8298 8.8096 8.8096 10.1729 10.1729 k = 0.0000 0.5000 0.3997 ( 3380 PWs) bands (ev): -25.9552 -25.9552 -10.2802 -10.2802 -9.5991 -9.5991 -9.3418 -9.3418 -8.8587 -8.8587 -3.9337 -3.9337 -1.0698 -1.0698 -0.8000 -0.8000 -0.1208 -0.1208 0.2801 0.2801 1.2237 1.2237 1.2730 1.2730 1.8225 1.8225 2.1835 2.1835 4.8649 4.8649 7.8257 7.8257 8.8064 8.8064 10.2669 10.2669 k = 0.5000 0.5000-0.0000 ( 3384 PWs) bands (ev): -25.9493 -25.9493 -9.8197 -9.8197 -9.6959 -9.6959 -9.4401 -9.4401 -9.4289 -9.4289 -2.4977 -2.4977 -1.1599 -1.1599 -0.5208 -0.5208 -0.4646 -0.4646 -0.0191 -0.0191 0.3721 0.3721 0.9590 0.9590 0.9665 0.9665 2.5015 2.5015 7.7130 7.7130 7.8498 7.8498 7.9274 7.9274 7.9653 7.9653 k = 0.5000 0.5000 0.0133 ( 3376 PWs) bands (ev): -25.9492 -25.9492 -9.8195 -9.8195 -9.6959 -9.6959 -9.4401 -9.4401 -9.4289 -9.4289 -2.5062 -2.5062 -1.1499 -1.1499 -0.5223 -0.5223 -0.4658 -0.4658 -0.0200 -0.0200 0.3720 0.3720 0.9621 0.9621 0.9703 0.9703 2.5009 2.5009 7.6509 7.6509 7.7652 7.7652 7.9905 7.9905 8.0507 8.0507 k = 0.5000 0.5000 0.0266 ( 3376 PWs) bands (ev): -25.9492 -25.9492 -9.8186 -9.8186 -9.6959 -9.6959 -9.4402 -9.4402 -9.4288 -9.4288 -2.5309 -2.5309 -1.1207 -1.1207 -0.5269 -0.5269 -0.4696 -0.4696 -0.0226 -0.0226 0.3719 0.3719 0.9715 0.9715 0.9813 0.9813 2.4988 2.4988 7.5380 7.5380 7.6421 7.6421 8.1065 8.1065 8.1762 8.1762 k = 0.5000 0.5000 0.0400 ( 3376 PWs) bands (ev): -25.9492 -25.9492 -9.8172 -9.8172 -9.6960 -9.6960 -9.4403 -9.4403 -9.4288 -9.4288 -2.5697 -2.5697 -1.0746 -1.0746 -0.5342 -0.5342 -0.4758 -0.4758 -0.0269 -0.0269 0.3718 0.3718 0.9870 0.9870 0.9994 0.9994 2.4954 2.4954 7.4158 7.4158 7.5163 7.5163 8.2338 8.2338 8.3023 8.3023 k = 0.5000 0.5000 0.0533 ( 3360 PWs) bands (ev): -25.9492 -25.9492 -9.8152 -9.8152 -9.6960 -9.6960 -9.4404 -9.4404 -9.4288 -9.4288 -2.6198 -2.6198 -1.0145 -1.0145 -0.5438 -0.5438 -0.4844 -0.4844 -0.0323 -0.0323 0.3716 0.3716 1.0083 1.0083 1.0240 1.0240 2.4906 2.4906 7.2918 7.2918 7.3907 7.3907 8.3473 8.3473 8.3650 8.3650 k = 0.5000 0.5000 0.0666 ( 3360 PWs) bands (ev): -25.9492 -25.9492 -9.8127 -9.8127 -9.6961 -9.6961 -9.4405 -9.4405 -9.4288 -9.4288 -2.6786 -2.6786 -0.9438 -0.9438 -0.5548 -0.5548 -0.4953 -0.4953 -0.0386 -0.0386 0.3714 0.3714 1.0349 1.0349 1.0547 1.0547 2.4844 2.4844 7.1678 7.1678 7.2660 7.2660 8.3667 8.3667 8.4982 8.4982 k = 0.5000 0.5000 0.0799 ( 3344 PWs) bands (ev): -25.9492 -25.9492 -9.8097 -9.8097 -9.6961 -9.6961 -9.4407 -9.4407 -9.4288 -9.4288 -2.7434 -2.7434 -0.8663 -0.8663 -0.5655 -0.5655 -0.5082 -0.5082 -0.0453 -0.0453 0.3712 0.3712 1.0666 1.0666 1.0907 1.0907 2.4768 2.4768 7.0447 7.0447 7.1426 7.1426 8.3893 8.3893 8.6327 8.6327 k = 0.5000 0.5000 0.0933 ( 3336 PWs) bands (ev): -25.9492 -25.9492 -9.8062 -9.8062 -9.6963 -9.6963 -9.4409 -9.4409 -9.4288 -9.4288 -2.8123 -2.8123 -0.7878 -0.7878 -0.5719 -0.5719 -0.5230 -0.5230 -0.0521 -0.0521 0.3711 0.3711 1.1027 1.1027 1.1314 1.1314 2.4677 2.4677 6.9228 6.9228 7.0206 7.0206 8.4157 8.4157 8.7680 8.7680 k = 0.5000 0.5000 0.1066 ( 3336 PWs) bands (ev): -25.9491 -25.9491 -9.8022 -9.8022 -9.6964 -9.6964 -9.4411 -9.4411 -9.4287 -9.4287 -2.8836 -2.8836 -0.7224 -0.7224 -0.5612 -0.5612 -0.5396 -0.5396 -0.0588 -0.0588 0.3710 0.3710 1.1429 1.1429 1.1763 1.1763 2.4570 2.4570 6.8024 6.8024 6.9002 6.9002 8.4460 8.4460 8.9039 8.9039 k = 0.5000 0.5000 0.1199 ( 3328 PWs) bands (ev): -25.9491 -25.9491 -9.7979 -9.7979 -9.6965 -9.6965 -9.4414 -9.4414 -9.4287 -9.4287 -2.9560 -2.9560 -0.6933 -0.6933 -0.5575 -0.5575 -0.5111 -0.5111 -0.0652 -0.0652 0.3710 0.3710 1.1866 1.1866 1.2246 1.2246 2.4448 2.4448 6.6838 6.6838 6.7817 6.7817 8.4802 8.4802 9.0401 9.0401 k = 0.5000 0.5000 0.1332 ( 3340 PWs) bands (ev): -25.9491 -25.9491 -9.7932 -9.7932 -9.6967 -9.6967 -9.4417 -9.4417 -9.4287 -9.4287 -3.0286 -3.0286 -0.6952 -0.6952 -0.5766 -0.5766 -0.4278 -0.4278 -0.0711 -0.0711 0.3709 0.3709 1.2334 1.2334 1.2760 1.2760 2.4309 2.4309 6.5671 6.5671 6.6651 6.6651 8.5183 8.5183 9.1765 9.1765 k = 0.5000 0.5000 0.1466 ( 3344 PWs) bands (ev): -25.9491 -25.9491 -9.7881 -9.7881 -9.6969 -9.6969 -9.4420 -9.4420 -9.4287 -9.4287 -3.1005 -3.1005 -0.7089 -0.7089 -0.5964 -0.5964 -0.3307 -0.3307 -0.0764 -0.0764 0.3710 0.3710 1.2828 1.2828 1.3298 1.3298 2.4154 2.4154 6.4526 6.4526 6.5507 6.5507 8.5602 8.5602 9.3128 9.3128 k = 0.5000 0.5000 0.1599 ( 3344 PWs) bands (ev): -25.9491 -25.9491 -9.7828 -9.7828 -9.6970 -9.6970 -9.4423 -9.4423 -9.4287 -9.4287 -3.1711 -3.1711 -0.7269 -0.7269 -0.6168 -0.6168 -0.2280 -0.2280 -0.0812 -0.0812 0.3710 0.3710 1.3342 1.3342 1.3855 1.3855 2.3981 2.3981 6.3404 6.3404 6.4386 6.4386 8.6060 8.6060 9.4490 9.4490 k = 0.5000 0.5000 0.1732 ( 3344 PWs) bands (ev): -25.9491 -25.9491 -9.7773 -9.7773 -9.6972 -9.6972 -9.4426 -9.4426 -9.4287 -9.4287 -3.2399 -3.2399 -0.7466 -0.7466 -0.6373 -0.6373 -0.1226 -0.1226 -0.0854 -0.0854 0.3712 0.3712 1.3872 1.3872 1.4427 1.4427 2.3791 2.3791 6.2308 6.2308 6.3291 6.3291 8.6555 8.6555 9.5846 9.5846 k = 0.5000 0.5000 0.1865 ( 3344 PWs) bands (ev): -25.9491 -25.9491 -9.7717 -9.7717 -9.6974 -9.6974 -9.4430 -9.4430 -9.4287 -9.4287 -3.3065 -3.3065 -0.7669 -0.7669 -0.6578 -0.6578 -0.0890 -0.0890 -0.0159 -0.0159 0.3713 0.3713 1.4414 1.4414 1.5010 1.5010 2.3582 2.3582 6.1240 6.1240 6.2223 6.2223 8.7086 8.7086 9.7196 9.7196 k = 0.5000 0.5000 0.1999 ( 3344 PWs) bands (ev): -25.9491 -25.9491 -9.7659 -9.7659 -9.6976 -9.6976 -9.4433 -9.4433 -9.4286 -9.4286 -3.3704 -3.3704 -0.7871 -0.7871 -0.6780 -0.6780 -0.0922 -0.0922 0.0913 0.0913 0.3715 0.3715 1.4961 1.4961 1.5599 1.5599 2.3355 2.3355 6.0203 6.0203 6.1186 6.1186 8.7654 8.7654 9.8536 9.8536 k = 0.5000 0.5000 0.2132 ( 3348 PWs) bands (ev): -25.9491 -25.9491 -9.7602 -9.7602 -9.6978 -9.6978 -9.4437 -9.4437 -9.4286 -9.4286 -3.4315 -3.4315 -0.8070 -0.8070 -0.6978 -0.6978 -0.0949 -0.0949 0.1982 0.1982 0.3717 0.3717 1.5510 1.5510 1.6188 1.6188 2.3108 2.3108 5.9200 5.9200 6.0182 6.0182 8.8256 8.8256 9.9862 9.9862 k = 0.5000 0.5000 0.2265 ( 3328 PWs) bands (ev): -25.9490 -25.9490 -9.7544 -9.7544 -9.6979 -9.6979 -9.4440 -9.4440 -9.4286 -9.4286 -3.4893 -3.4893 -0.8261 -0.8261 -0.7167 -0.7167 -0.0972 -0.0972 0.3043 0.3043 0.3720 0.3720 1.6053 1.6053 1.6775 1.6775 2.2844 2.2844 5.8233 5.8233 5.9215 5.9215 8.8891 8.8891 10.1172 10.1172 k = 0.5000 0.5000 0.2398 ( 3328 PWs) bands (ev): -25.9490 -25.9490 -9.7488 -9.7488 -9.6981 -9.6981 -9.4443 -9.4443 -9.4286 -9.4286 -3.5437 -3.5437 -0.8444 -0.8444 -0.7349 -0.7349 -0.0991 -0.0991 0.3722 0.3722 0.4092 0.4092 1.6585 1.6585 1.7353 1.7353 2.2563 2.2563 5.7308 5.7308 5.8288 5.8288 8.9559 8.9559 10.2461 10.2461 k = 0.5000 0.5000 0.2532 ( 3328 PWs) bands (ev): -25.9490 -25.9490 -9.7433 -9.7433 -9.6983 -9.6983 -9.4446 -9.4446 -9.4286 -9.4286 -3.5945 -3.5945 -0.8617 -0.8617 -0.7521 -0.7521 -0.1008 -0.1008 0.3724 0.3724 0.5123 0.5123 1.7096 1.7096 1.7917 1.7917 2.2267 2.2267 5.6427 5.6427 5.7406 5.7406 9.0255 9.0255 10.3722 10.3722 k = 0.5000 0.5000 0.2665 ( 3336 PWs) bands (ev): -25.9490 -25.9490 -9.7380 -9.7380 -9.6985 -9.6985 -9.4449 -9.4449 -9.4286 -9.4286 -3.6415 -3.6415 -0.8778 -0.8778 -0.7682 -0.7682 -0.1022 -0.1022 0.3726 0.3726 0.6134 0.6134 1.7578 1.7578 1.8463 1.8463 2.1960 2.1960 5.5596 5.5596 5.6572 5.6572 9.0979 9.0979 10.4949 10.4949 k = 0.5000 0.5000 0.2798 ( 3340 PWs) bands (ev): -25.9490 -25.9490 -9.7331 -9.7331 -9.6986 -9.6986 -9.4452 -9.4452 -9.4285 -9.4285 -3.6844 -3.6844 -0.8927 -0.8927 -0.7830 -0.7830 -0.1033 -0.1033 0.3728 0.3728 0.7118 0.7118 1.8016 1.8016 1.8984 1.8984 2.1652 2.1652 5.4819 5.4819 5.5793 5.5793 9.1727 9.1727 10.6133 10.6133 k = 0.5000 0.5000 0.2931 ( 3332 PWs) bands (ev): -25.9490 -25.9490 -9.7284 -9.7284 -9.6988 -9.6988 -9.4455 -9.4455 -9.4285 -9.4285 -3.7233 -3.7233 -0.9062 -0.9062 -0.7964 -0.7964 -0.1043 -0.1043 0.3730 0.3730 0.8072 0.8072 1.8388 1.8388 1.9475 1.9475 2.1360 2.1360 5.4101 5.4101 5.5073 5.5073 9.2493 9.2493 10.7238 10.7238 k = 0.5000 0.5000 0.3065 ( 3332 PWs) bands (ev): -25.9490 -25.9490 -9.7242 -9.7242 -9.6989 -9.6989 -9.4457 -9.4457 -9.4285 -9.4285 -3.7578 -3.7578 -0.9182 -0.9182 -0.8085 -0.8085 -0.1050 -0.1050 0.3732 0.3732 0.8988 0.8988 1.8659 1.8659 1.9929 1.9929 2.1113 2.1113 5.3448 5.3448 5.4418 5.4418 9.3270 9.3270 10.7158 10.7158 k = 0.5000 0.5000 0.3198 ( 3340 PWs) bands (ev): -25.9490 -25.9490 -9.7204 -9.7204 -9.6990 -9.6990 -9.4459 -9.4459 -9.4285 -9.4285 -3.7881 -3.7881 -0.9288 -0.9288 -0.8191 -0.8191 -0.1056 -0.1056 0.3734 0.3734 0.9861 0.9861 1.8784 1.8784 2.0340 2.0340 2.0956 2.0956 5.2866 5.2866 5.3833 5.3833 9.4049 9.4049 10.6816 10.6816 k = 0.5000 0.5000 0.3331 ( 3340 PWs) bands (ev): -25.9490 -25.9490 -9.7172 -9.7172 -9.6991 -9.6991 -9.4461 -9.4461 -9.4285 -9.4285 -3.8138 -3.8138 -0.9378 -0.9378 -0.8281 -0.8281 -0.1061 -0.1061 0.3735 0.3735 1.0680 1.0680 1.8731 1.8731 2.0701 2.0701 2.0920 2.0920 5.2360 5.2360 5.3325 5.3325 9.4816 9.4816 10.6515 10.6515 k = 0.5000 0.5000 0.3464 ( 3348 PWs) bands (ev): -25.9490 -25.9490 -9.7144 -9.7144 -9.6992 -9.6992 -9.4463 -9.4463 -9.4285 -9.4285 -3.8350 -3.8350 -0.9453 -0.9453 -0.8356 -0.8356 -0.1065 -0.1065 0.3736 0.3736 1.1431 1.1431 1.8529 1.8529 2.0981 2.0981 2.1006 2.1006 5.1937 5.1937 5.2900 5.2900 9.5548 9.5548 10.6261 10.6261 k = 0.5000 0.5000 0.3598 ( 3348 PWs) bands (ev): -25.9490 -25.9490 -9.7123 -9.7123 -9.6993 -9.6993 -9.4464 -9.4464 -9.4285 -9.4285 -3.8515 -3.8515 -0.9511 -0.9511 -0.8414 -0.8414 -0.1068 -0.1068 0.3737 0.3737 1.2093 1.2093 1.8249 1.8249 2.1084 2.1084 2.1251 2.1251 5.1602 5.1602 5.2563 5.2563 9.6212 9.6212 10.6059 10.6059 k = 0.5000 0.5000 0.3731 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7107 -9.7107 -9.6993 -9.6993 -9.4465 -9.4465 -9.4285 -9.4285 -3.8633 -3.8633 -0.9553 -0.9553 -0.8456 -0.8456 -0.1070 -0.1070 0.3738 0.3738 1.2630 1.2630 1.7964 1.7964 2.1183 2.1183 2.1429 2.1429 5.1359 5.1359 5.2319 5.2319 9.6760 9.6760 10.5913 10.5913 k = 0.5000 0.5000 0.3864 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7098 -9.7098 -9.6994 -9.6994 -9.4465 -9.4465 -9.4285 -9.4285 -3.8704 -3.8704 -0.9578 -0.9578 -0.8481 -0.8481 -0.1071 -0.1071 0.3738 0.3738 1.2991 1.2991 1.7748 1.7748 2.1251 2.1251 2.1538 2.1538 5.1212 5.1212 5.2171 5.2171 9.7130 9.7130 10.5824 10.5824 k = 0.5000 0.5000 0.3997 ( 3344 PWs) bands (ev): -25.9490 -25.9490 -9.7094 -9.7094 -9.6994 -9.6994 -9.4465 -9.4465 -9.4285 -9.4285 -3.8728 -3.8728 -0.9586 -0.9586 -0.8490 -0.8490 -0.1071 -0.1071 0.3738 0.3738 1.3120 1.3120 1.7666 1.7666 2.1275 2.1275 2.1575 2.1575 5.1162 5.1162 5.2121 5.2121 9.7263 9.7263 10.5794 10.5794 Writing output data file KAgC2.save init_run : 0.26s CPU 0.60s WALL ( 1 calls) electrons : 85.94s CPU 89.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 85.92s CPU 89.00s 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 : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 357 calls) cegterg : 77.69s CPU 78.91s WALL ( 469 calls) Called by sum_band: Called by *egterg: h_psi : 44.33s CPU 45.53s WALL ( 7418 calls) s_psi : 2.53s CPU 2.52s WALL ( 7418 calls) g_psi : 0.14s CPU 0.13s WALL ( 6592 calls) cdiaghg : 30.13s CPU 30.24s WALL ( 6949 calls) cegterg:over : 2.80s CPU 2.65s WALL ( 6592 calls) cegterg:upda : 1.90s CPU 2.02s WALL ( 6592 calls) cegterg:last : 1.10s CPU 1.24s WALL ( 1183 calls) cdiaghg:chol : 1.53s CPU 1.60s WALL ( 6949 calls) cdiaghg:inve : 0.80s CPU 0.85s WALL ( 6949 calls) cdiaghg:para : 1.67s CPU 1.75s WALL ( 13898 calls) Called by h_psi: h_psi:vloc : 39.74s CPU 40.67s WALL ( 7418 calls) h_psi:vnl : 4.51s CPU 4.75s WALL ( 7418 calls) add_vuspsi : 2.32s CPU 2.42s WALL ( 7418 calls) General routines calbec : 2.17s CPU 2.32s WALL ( 7418 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 37.54s CPU 38.29s WALL ( 564576 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.14s WALL ( 714 calls) Parallel routines fft_scatter : 14.77s CPU 15.03s WALL ( 564599 calls) PWSCF : 1m37.82s CPU 2m15.46s WALL This run was terminated on: 16: 8: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=