Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 6:24 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: ./KAuC2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 58 23 6 2490 617 98 Max 59 24 7 2495 634 105 Sum 2093 845 249 89715 22493 3687 bravais-lattice index = 14 lattice parameter (alat) = 7.9066 a.u. unit-cell volume = 609.5784 (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 = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.906614 celldm(2)= 1.000000 celldm(3)= 1.233270 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 1.233270 ) 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 0.810853 ) 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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) Au 11.00 196.96660 Au( 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= 362 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0027624 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0027624 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0027624 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0027624 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0027624 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0027624 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0027624 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0027624 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0027624 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0027624 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0027624 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0027624 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0027624 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0027624 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0027624 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0027624 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027624 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0027624 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0027624 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0027624 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0027624 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0027624 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0027624 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0027624 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0027624 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0027624 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0027624 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0027624 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0027624 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0027624 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0027624 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0027624 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0027624 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0027624 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0027624 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0027624 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0027624 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0027624 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0027624 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0027624 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0027624 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0027624 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0027624 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0027624 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0027624 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0027624 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0027624 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0027624 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0027624 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0027624 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0027624 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0027624 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0027624 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027624 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0027624 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0027624 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0027624 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0027624 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0027624 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0027624 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0027624 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0027624 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0027624 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0027624 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0027624 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0027624 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0027624 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0027624 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0027624 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0027624 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0027624 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0027624 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0027624 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0027624 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0027624 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0027624 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0027624 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0027624 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0027624 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0027624 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027624 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0027624 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0027624 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0027624 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0027624 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0027624 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0027624 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0027624 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0027624 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027624 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0027624 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0027624 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0027624 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0027624 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0027624 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027624 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0027624 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0027624 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027624 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0027624 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0027624 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0027624 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0027624 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0027624 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0027624 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0027624 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0027624 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027624 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0027624 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0027624 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0027624 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0027624 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0027624 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0027624 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0027624 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0027624 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027624 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0027624 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0027624 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0027624 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0027624 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0027624 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0027624 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0027624 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0027624 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 135) = ( 0.0000000 0.0000000 0.0130783), wk = 0.0027624 k( 136) = ( 0.0000000 0.0000000 0.0261565), wk = 0.0027624 k( 137) = ( 0.0000000 0.0000000 0.0392348), wk = 0.0027624 k( 138) = ( 0.0000000 0.0000000 0.0523131), wk = 0.0027624 k( 139) = ( 0.0000000 0.0000000 0.0653913), wk = 0.0027624 k( 140) = ( 0.0000000 0.0000000 0.0784696), wk = 0.0027624 k( 141) = ( 0.0000000 0.0000000 0.0915479), wk = 0.0027624 k( 142) = ( 0.0000000 0.0000000 0.1046262), wk = 0.0027624 k( 143) = ( 0.0000000 0.0000000 0.1177044), wk = 0.0027624 k( 144) = ( 0.0000000 0.0000000 0.1307827), wk = 0.0027624 k( 145) = ( 0.0000000 0.0000000 0.1438610), wk = 0.0027624 k( 146) = ( 0.0000000 0.0000000 0.1569392), wk = 0.0027624 k( 147) = ( 0.0000000 0.0000000 0.1700175), wk = 0.0027624 k( 148) = ( 0.0000000 0.0000000 0.1830958), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.1961740), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.2092523), wk = 0.0027624 k( 151) = ( 0.0000000 0.0000000 0.2223306), wk = 0.0027624 k( 152) = ( 0.0000000 0.0000000 0.2354089), wk = 0.0027624 k( 153) = ( 0.0000000 0.0000000 0.2484871), wk = 0.0027624 k( 154) = ( 0.0000000 0.0000000 0.2615654), wk = 0.0027624 k( 155) = ( 0.0000000 0.0000000 0.2746437), wk = 0.0027624 k( 156) = ( 0.0000000 0.0000000 0.2877219), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.3008002), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.3138785), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.3269567), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.3400350), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.3531133), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.3661915), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.3792698), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.3923481), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.4054264), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.4054264), wk = 0.0027624 k( 167) = ( 0.0000000 0.0131579 0.4054264), wk = 0.0027624 k( 168) = ( 0.0000000 0.0263158 0.4054264), wk = 0.0027624 k( 169) = ( 0.0000000 0.0394737 0.4054264), wk = 0.0027624 k( 170) = ( 0.0000000 0.0526316 0.4054264), wk = 0.0027624 k( 171) = ( 0.0000000 0.0657895 0.4054264), wk = 0.0027624 k( 172) = ( 0.0000000 0.0789474 0.4054264), wk = 0.0027624 k( 173) = ( 0.0000000 0.0921053 0.4054264), wk = 0.0027624 k( 174) = ( 0.0000000 0.1052632 0.4054264), wk = 0.0027624 k( 175) = ( 0.0000000 0.1184210 0.4054264), wk = 0.0027624 k( 176) = ( 0.0000000 0.1315790 0.4054264), wk = 0.0027624 k( 177) = ( 0.0000000 0.1447368 0.4054264), wk = 0.0027624 k( 178) = ( 0.0000000 0.1578947 0.4054264), wk = 0.0027624 k( 179) = ( 0.0000000 0.1710526 0.4054264), wk = 0.0027624 k( 180) = ( 0.0000000 0.1842105 0.4054264), wk = 0.0027624 k( 181) = ( 0.0000000 0.1973684 0.4054264), wk = 0.0027624 k( 182) = ( 0.0000000 0.2105263 0.4054264), wk = 0.0027624 k( 183) = ( 0.0000000 0.2236842 0.4054264), wk = 0.0027624 k( 184) = ( 0.0000000 0.2368421 0.4054264), wk = 0.0027624 k( 185) = ( 0.0000000 0.2500000 0.4054264), wk = 0.0027624 k( 186) = ( 0.0000000 0.2631579 0.4054264), wk = 0.0027624 k( 187) = ( 0.0000000 0.2763158 0.4054264), wk = 0.0027624 k( 188) = ( 0.0000000 0.2894737 0.4054264), wk = 0.0027624 k( 189) = ( 0.0000000 0.3026316 0.4054264), wk = 0.0027624 k( 190) = ( 0.0000000 0.3157895 0.4054264), wk = 0.0027624 k( 191) = ( 0.0000000 0.3289474 0.4054264), wk = 0.0027624 k( 192) = ( 0.0000000 0.3421053 0.4054264), wk = 0.0027624 k( 193) = ( 0.0000000 0.3552632 0.4054264), wk = 0.0027624 k( 194) = ( 0.0000000 0.3684211 0.4054264), wk = 0.0027624 k( 195) = ( 0.0000000 0.3815789 0.4054264), wk = 0.0027624 k( 196) = ( 0.0000000 0.3947368 0.4054264), wk = 0.0027624 k( 197) = ( 0.0000000 0.4078947 0.4054264), wk = 0.0027624 k( 198) = ( 0.0000000 0.4210526 0.4054264), wk = 0.0027624 k( 199) = ( 0.0000000 0.4342105 0.4054264), wk = 0.0027624 k( 200) = ( 0.0000000 0.4473684 0.4054264), wk = 0.0027624 k( 201) = ( 0.0000000 0.4605263 0.4054264), wk = 0.0027624 k( 202) = ( 0.0000000 0.4736842 0.4054264), wk = 0.0027624 k( 203) = ( 0.0000000 0.4868421 0.4054264), wk = 0.0027624 k( 204) = ( 0.0000000 0.5000000 0.4054264), wk = 0.0027624 k( 205) = ( 0.0000000 0.5000000 0.4054264), wk = 0.0027624 k( 206) = ( 0.0131579 0.5000000 0.4054264), wk = 0.0027624 k( 207) = ( 0.0263158 0.5000000 0.4054264), wk = 0.0027624 k( 208) = ( 0.0394737 0.5000000 0.4054264), wk = 0.0027624 k( 209) = ( 0.0526316 0.5000000 0.4054264), wk = 0.0027624 k( 210) = ( 0.0657895 0.5000000 0.4054264), wk = 0.0027624 k( 211) = ( 0.0789474 0.5000000 0.4054264), wk = 0.0027624 k( 212) = ( 0.0921053 0.5000000 0.4054264), wk = 0.0027624 k( 213) = ( 0.1052632 0.5000000 0.4054264), wk = 0.0027624 k( 214) = ( 0.1184210 0.5000000 0.4054264), wk = 0.0027624 k( 215) = ( 0.1315790 0.5000000 0.4054264), wk = 0.0027624 k( 216) = ( 0.1447368 0.5000000 0.4054264), wk = 0.0027624 k( 217) = ( 0.1578947 0.5000000 0.4054264), wk = 0.0027624 k( 218) = ( 0.1710526 0.5000000 0.4054264), wk = 0.0027624 k( 219) = ( 0.1842105 0.5000000 0.4054264), wk = 0.0027624 k( 220) = ( 0.1973684 0.5000000 0.4054264), wk = 0.0027624 k( 221) = ( 0.2105263 0.5000000 0.4054264), wk = 0.0027624 k( 222) = ( 0.2236842 0.5000000 0.4054264), wk = 0.0027624 k( 223) = ( 0.2368421 0.5000000 0.4054264), wk = 0.0027624 k( 224) = ( 0.2500000 0.5000000 0.4054264), wk = 0.0027624 k( 225) = ( 0.2631579 0.5000000 0.4054264), wk = 0.0027624 k( 226) = ( 0.2763158 0.5000000 0.4054264), wk = 0.0027624 k( 227) = ( 0.2894737 0.5000000 0.4054264), wk = 0.0027624 k( 228) = ( 0.3026316 0.5000000 0.4054264), wk = 0.0027624 k( 229) = ( 0.3157895 0.5000000 0.4054264), wk = 0.0027624 k( 230) = ( 0.3289474 0.5000000 0.4054264), wk = 0.0027624 k( 231) = ( 0.3421053 0.5000000 0.4054264), wk = 0.0027624 k( 232) = ( 0.3552632 0.5000000 0.4054264), wk = 0.0027624 k( 233) = ( 0.3684211 0.5000000 0.4054264), wk = 0.0027624 k( 234) = ( 0.3815789 0.5000000 0.4054264), wk = 0.0027624 k( 235) = ( 0.3947368 0.5000000 0.4054264), wk = 0.0027624 k( 236) = ( 0.4078947 0.5000000 0.4054264), wk = 0.0027624 k( 237) = ( 0.4210526 0.5000000 0.4054264), wk = 0.0027624 k( 238) = ( 0.4342105 0.5000000 0.4054264), wk = 0.0027624 k( 239) = ( 0.4473684 0.5000000 0.4054264), wk = 0.0027624 k( 240) = ( 0.4605263 0.5000000 0.4054264), wk = 0.0027624 k( 241) = ( 0.4736842 0.5000000 0.4054264), wk = 0.0027624 k( 242) = ( 0.4868421 0.5000000 0.4054264), wk = 0.0027624 k( 243) = ( 0.5000000 0.5000000 0.4054264), wk = 0.0027624 k( 244) = ( 0.5000000 0.5000000 0.4054264), wk = 0.0027624 k( 245) = ( 0.4907407 0.4907407 0.4054264), wk = 0.0027624 k( 246) = ( 0.4814815 0.4814815 0.4054264), wk = 0.0027624 k( 247) = ( 0.4722222 0.4722222 0.4054264), wk = 0.0027624 k( 248) = ( 0.4629630 0.4629630 0.4054264), wk = 0.0027624 k( 249) = ( 0.4537037 0.4537037 0.4054264), wk = 0.0027624 k( 250) = ( 0.4444444 0.4444444 0.4054264), wk = 0.0027624 k( 251) = ( 0.4351852 0.4351852 0.4054264), wk = 0.0027624 k( 252) = ( 0.4259259 0.4259259 0.4054264), wk = 0.0027624 k( 253) = ( 0.4166667 0.4166667 0.4054264), wk = 0.0027624 k( 254) = ( 0.4074074 0.4074074 0.4054264), wk = 0.0027624 k( 255) = ( 0.3981481 0.3981481 0.4054264), wk = 0.0027624 k( 256) = ( 0.3888889 0.3888889 0.4054264), wk = 0.0027624 k( 257) = ( 0.3796296 0.3796296 0.4054264), wk = 0.0027624 k( 258) = ( 0.3703704 0.3703704 0.4054264), wk = 0.0027624 k( 259) = ( 0.3611111 0.3611111 0.4054264), wk = 0.0027624 k( 260) = ( 0.3518519 0.3518518 0.4054264), wk = 0.0027624 k( 261) = ( 0.3425926 0.3425926 0.4054264), wk = 0.0027624 k( 262) = ( 0.3333333 0.3333333 0.4054264), wk = 0.0027624 k( 263) = ( 0.3240741 0.3240741 0.4054264), wk = 0.0027624 k( 264) = ( 0.3148148 0.3148148 0.4054264), wk = 0.0027624 k( 265) = ( 0.3055556 0.3055556 0.4054264), wk = 0.0027624 k( 266) = ( 0.2962963 0.2962963 0.4054264), wk = 0.0027624 k( 267) = ( 0.2870370 0.2870370 0.4054264), wk = 0.0027624 k( 268) = ( 0.2777778 0.2777778 0.4054264), wk = 0.0027624 k( 269) = ( 0.2685185 0.2685185 0.4054264), wk = 0.0027624 k( 270) = ( 0.2592593 0.2592593 0.4054264), wk = 0.0027624 k( 271) = ( 0.2500000 0.2500000 0.4054264), wk = 0.0027624 k( 272) = ( 0.2407407 0.2407407 0.4054264), wk = 0.0027624 k( 273) = ( 0.2314815 0.2314815 0.4054264), wk = 0.0027624 k( 274) = ( 0.2222222 0.2222222 0.4054264), wk = 0.0027624 k( 275) = ( 0.2129630 0.2129630 0.4054264), wk = 0.0027624 k( 276) = ( 0.2037037 0.2037037 0.4054264), wk = 0.0027624 k( 277) = ( 0.1944444 0.1944444 0.4054264), wk = 0.0027624 k( 278) = ( 0.1851852 0.1851852 0.4054264), wk = 0.0027624 k( 279) = ( 0.1759259 0.1759259 0.4054264), wk = 0.0027624 k( 280) = ( 0.1666667 0.1666667 0.4054264), wk = 0.0027624 k( 281) = ( 0.1574074 0.1574074 0.4054264), wk = 0.0027624 k( 282) = ( 0.1481482 0.1481481 0.4054264), wk = 0.0027624 k( 283) = ( 0.1388889 0.1388889 0.4054264), wk = 0.0027624 k( 284) = ( 0.1296296 0.1296296 0.4054264), wk = 0.0027624 k( 285) = ( 0.1203704 0.1203704 0.4054264), wk = 0.0027624 k( 286) = ( 0.1111111 0.1111111 0.4054264), wk = 0.0027624 k( 287) = ( 0.1018518 0.1018518 0.4054264), wk = 0.0027624 k( 288) = ( 0.0925926 0.0925926 0.4054264), wk = 0.0027624 k( 289) = ( 0.0833333 0.0833333 0.4054264), wk = 0.0027624 k( 290) = ( 0.0740741 0.0740741 0.4054264), wk = 0.0027624 k( 291) = ( 0.0648148 0.0648148 0.4054264), wk = 0.0027624 k( 292) = ( 0.0555556 0.0555556 0.4054264), wk = 0.0027624 k( 293) = ( 0.0462963 0.0462963 0.4054264), wk = 0.0027624 k( 294) = ( 0.0370370 0.0370370 0.4054264), wk = 0.0027624 k( 295) = ( 0.0277778 0.0277778 0.4054264), wk = 0.0027624 k( 296) = ( 0.0185185 0.0185185 0.4054264), wk = 0.0027624 k( 297) = ( 0.0092593 0.0092593 0.4054264), wk = 0.0027624 k( 298) = ( 0.0000000 0.0000000 0.4054264), wk = 0.0027624 k( 299) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 300) = ( 0.0000000 0.5000000 0.0130783), wk = 0.0027624 k( 301) = ( 0.0000000 0.5000000 0.0261565), wk = 0.0027624 k( 302) = ( 0.0000000 0.5000000 0.0392348), wk = 0.0027624 k( 303) = ( 0.0000000 0.5000000 0.0523131), wk = 0.0027624 k( 304) = ( 0.0000000 0.5000000 0.0653913), wk = 0.0027624 k( 305) = ( 0.0000000 0.5000000 0.0784696), wk = 0.0027624 k( 306) = ( 0.0000000 0.5000000 0.0915479), wk = 0.0027624 k( 307) = ( 0.0000000 0.5000000 0.1046262), wk = 0.0027624 k( 308) = ( 0.0000000 0.5000000 0.1177044), wk = 0.0027624 k( 309) = ( 0.0000000 0.5000000 0.1307827), wk = 0.0027624 k( 310) = ( 0.0000000 0.5000000 0.1438610), wk = 0.0027624 k( 311) = ( 0.0000000 0.5000000 0.1569392), wk = 0.0027624 k( 312) = ( 0.0000000 0.5000000 0.1700175), wk = 0.0027624 k( 313) = ( 0.0000000 0.5000000 0.1830958), wk = 0.0027624 k( 314) = ( 0.0000000 0.5000000 0.1961740), wk = 0.0027624 k( 315) = ( 0.0000000 0.5000000 0.2092523), wk = 0.0027624 k( 316) = ( 0.0000000 0.5000000 0.2223306), wk = 0.0027624 k( 317) = ( 0.0000000 0.5000000 0.2354089), wk = 0.0027624 k( 318) = ( 0.0000000 0.5000000 0.2484871), wk = 0.0027624 k( 319) = ( 0.0000000 0.5000000 0.2615654), wk = 0.0027624 k( 320) = ( 0.0000000 0.5000000 0.2746437), wk = 0.0027624 k( 321) = ( 0.0000000 0.5000000 0.2877219), wk = 0.0027624 k( 322) = ( 0.0000000 0.5000000 0.3008002), wk = 0.0027624 k( 323) = ( 0.0000000 0.5000000 0.3138785), wk = 0.0027624 k( 324) = ( 0.0000000 0.5000000 0.3269567), wk = 0.0027624 k( 325) = ( 0.0000000 0.5000000 0.3400350), wk = 0.0027624 k( 326) = ( 0.0000000 0.5000000 0.3531133), wk = 0.0027624 k( 327) = ( 0.0000000 0.5000000 0.3661915), wk = 0.0027624 k( 328) = ( 0.0000000 0.5000000 0.3792698), wk = 0.0027624 k( 329) = ( 0.0000000 0.5000000 0.3923481), wk = 0.0027624 k( 330) = ( 0.0000000 0.5000000 0.4054264), wk = 0.0027624 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 332) = ( 0.5000000 0.5000000 0.0130783), wk = 0.0027624 k( 333) = ( 0.5000000 0.5000000 0.0261565), wk = 0.0027624 k( 334) = ( 0.5000000 0.5000000 0.0392348), wk = 0.0027624 k( 335) = ( 0.5000000 0.5000000 0.0523131), wk = 0.0027624 k( 336) = ( 0.5000000 0.5000000 0.0653913), wk = 0.0027624 k( 337) = ( 0.5000000 0.5000000 0.0784696), wk = 0.0027624 k( 338) = ( 0.5000000 0.5000000 0.0915479), wk = 0.0027624 k( 339) = ( 0.5000000 0.5000000 0.1046262), wk = 0.0027624 k( 340) = ( 0.5000000 0.5000000 0.1177044), wk = 0.0027624 k( 341) = ( 0.5000000 0.5000000 0.1307827), wk = 0.0027624 k( 342) = ( 0.5000000 0.5000000 0.1438610), wk = 0.0027624 k( 343) = ( 0.5000000 0.5000000 0.1569392), wk = 0.0027624 k( 344) = ( 0.5000000 0.5000000 0.1700175), wk = 0.0027624 k( 345) = ( 0.5000000 0.5000000 0.1830958), wk = 0.0027624 k( 346) = ( 0.5000000 0.5000000 0.1961740), wk = 0.0027624 k( 347) = ( 0.5000000 0.5000000 0.2092523), wk = 0.0027624 k( 348) = ( 0.5000000 0.5000000 0.2223306), wk = 0.0027624 k( 349) = ( 0.5000000 0.5000000 0.2354089), wk = 0.0027624 k( 350) = ( 0.5000000 0.5000000 0.2484871), wk = 0.0027624 k( 351) = ( 0.5000000 0.5000000 0.2615654), wk = 0.0027624 k( 352) = ( 0.5000000 0.5000000 0.2746437), wk = 0.0027624 k( 353) = ( 0.5000000 0.5000000 0.2877219), wk = 0.0027624 k( 354) = ( 0.5000000 0.5000000 0.3008002), wk = 0.0027624 k( 355) = ( 0.5000000 0.5000000 0.3138785), wk = 0.0027624 k( 356) = ( 0.5000000 0.5000000 0.3269567), wk = 0.0027624 k( 357) = ( 0.5000000 0.5000000 0.3400350), wk = 0.0027624 k( 358) = ( 0.5000000 0.5000000 0.3531133), wk = 0.0027624 k( 359) = ( 0.5000000 0.5000000 0.3661915), wk = 0.0027624 k( 360) = ( 0.5000000 0.5000000 0.3792698), wk = 0.0027624 k( 361) = ( 0.5000000 0.5000000 0.3923481), wk = 0.0027624 k( 362) = ( 0.5000000 0.5000000 0.4054264), wk = 0.0027624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0027624 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0027624 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0027624 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0027624 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0027624 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0027624 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0027624 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0027624 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0027624 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0027624 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0027624 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0027624 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0027624 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0027624 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0027624 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0027624 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0027624 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0027624 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027624 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0027624 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0027624 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0027624 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0027624 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0027624 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0027624 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0027624 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0027624 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0027624 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0027624 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0027624 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0027624 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0027624 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0027624 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0027624 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0027624 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0027624 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0027624 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0027624 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0027624 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0027624 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0027624 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0027624 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0027624 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0027624 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0027624 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0027624 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0027624 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0027624 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0027624 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0027624 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0027624 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0027624 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0027624 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0027624 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0027624 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027624 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0027624 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0027624 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0027624 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0027624 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0027624 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0027624 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0027624 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0027624 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0027624 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0027624 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0027624 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0027624 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0027624 k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0027624 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0027624 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0027624 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0027624 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0027624 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0027624 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0027624 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0027624 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0027624 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0027624 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0027624 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0027624 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0027624 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0027624 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0027624 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0027624 k( 91) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0027624 k( 92) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0027624 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0027624 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0027624 k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0027624 k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0027624 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027624 k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0027624 k( 99) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0027624 k( 100) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0027624 k( 101) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0027624 k( 102) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0027624 k( 103) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0027624 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0027624 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0027624 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027624 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0027624 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0027624 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027624 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0027624 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0027624 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0027624 k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0027624 k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0027624 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027624 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0027624 k( 117) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0027624 k( 118) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0027624 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0027624 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0027624 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027624 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0027624 k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0027624 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027624 k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0027624 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0027624 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0027624 k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0027624 k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0027624 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0027624 k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0027624 k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0027624 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027624 k( 135) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0027624 k( 136) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0027624 k( 137) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0027624 k( 138) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0027624 k( 139) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0027624 k( 140) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0027624 k( 141) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0027624 k( 142) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0027624 k( 143) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0027624 k( 144) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0027624 k( 145) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0027624 k( 146) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0027624 k( 147) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0027624 k( 148) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0027624 k( 149) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0027624 k( 150) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0027624 k( 151) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0027624 k( 152) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0027624 k( 153) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0027624 k( 154) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0027624 k( 155) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0027624 k( 156) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0027624 k( 157) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0027624 k( 158) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0027624 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0027624 k( 160) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0027624 k( 161) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0027624 k( 162) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0027624 k( 163) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0027624 k( 164) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0027624 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 167) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0027624 k( 168) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0027624 k( 169) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0027624 k( 170) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0027624 k( 171) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0027624 k( 172) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0027624 k( 173) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0027624 k( 174) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0027624 k( 175) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0027624 k( 176) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0027624 k( 177) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0027624 k( 178) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0027624 k( 179) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0027624 k( 180) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0027624 k( 181) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0027624 k( 182) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0027624 k( 183) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0027624 k( 184) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0027624 k( 185) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027624 k( 186) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0027624 k( 187) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0027624 k( 188) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0027624 k( 189) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0027624 k( 190) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0027624 k( 191) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0027624 k( 192) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0027624 k( 193) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0027624 k( 194) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0027624 k( 195) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0027624 k( 196) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0027624 k( 197) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0027624 k( 198) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0027624 k( 199) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0027624 k( 200) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0027624 k( 201) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0027624 k( 202) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0027624 k( 203) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0027624 k( 204) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 206) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0027624 k( 207) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0027624 k( 208) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0027624 k( 209) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0027624 k( 210) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0027624 k( 211) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0027624 k( 212) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0027624 k( 213) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0027624 k( 214) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0027624 k( 215) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0027624 k( 216) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0027624 k( 217) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0027624 k( 218) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0027624 k( 219) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0027624 k( 220) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0027624 k( 221) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0027624 k( 222) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0027624 k( 223) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0027624 k( 224) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027624 k( 225) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0027624 k( 226) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0027624 k( 227) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0027624 k( 228) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0027624 k( 229) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0027624 k( 230) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0027624 k( 231) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0027624 k( 232) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0027624 k( 233) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0027624 k( 234) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0027624 k( 235) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0027624 k( 236) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0027624 k( 237) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0027624 k( 238) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0027624 k( 239) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0027624 k( 240) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0027624 k( 241) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0027624 k( 242) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0027624 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027624 k( 245) = ( 0.4907407 0.4907407 0.5000000), wk = 0.0027624 k( 246) = ( 0.4814815 0.4814815 0.5000000), wk = 0.0027624 k( 247) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0027624 k( 248) = ( 0.4629630 0.4629630 0.5000000), wk = 0.0027624 k( 249) = ( 0.4537037 0.4537037 0.5000000), wk = 0.0027624 k( 250) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0027624 k( 251) = ( 0.4351852 0.4351852 0.5000000), wk = 0.0027624 k( 252) = ( 0.4259259 0.4259259 0.5000000), wk = 0.0027624 k( 253) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0027624 k( 254) = ( 0.4074074 0.4074074 0.5000000), wk = 0.0027624 k( 255) = ( 0.3981481 0.3981481 0.5000000), wk = 0.0027624 k( 256) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0027624 k( 257) = ( 0.3796296 0.3796296 0.5000000), wk = 0.0027624 k( 258) = ( 0.3703704 0.3703704 0.5000000), wk = 0.0027624 k( 259) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0027624 k( 260) = ( 0.3518519 0.3518519 0.5000000), wk = 0.0027624 k( 261) = ( 0.3425926 0.3425926 0.5000000), wk = 0.0027624 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027624 k( 263) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0027624 k( 264) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0027624 k( 265) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0027624 k( 266) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0027624 k( 267) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0027624 k( 268) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0027624 k( 269) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0027624 k( 270) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0027624 k( 271) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027624 k( 272) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0027624 k( 273) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0027624 k( 274) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027624 k( 275) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0027624 k( 276) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0027624 k( 277) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0027624 k( 278) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0027624 k( 279) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0027624 k( 280) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027624 k( 281) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0027624 k( 282) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0027624 k( 283) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0027624 k( 284) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0027624 k( 285) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0027624 k( 286) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027624 k( 287) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0027624 k( 288) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0027624 k( 289) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0027624 k( 290) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0027624 k( 291) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0027624 k( 292) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0027624 k( 293) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0027624 k( 294) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0027624 k( 295) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0027624 k( 296) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0027624 k( 297) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0027624 k( 298) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027624 k( 299) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027624 k( 300) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0027624 k( 301) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0027624 k( 302) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0027624 k( 303) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0027624 k( 304) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0027624 k( 305) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0027624 k( 306) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0027624 k( 307) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0027624 k( 308) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0027624 k( 309) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0027624 k( 310) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0027624 k( 311) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0027624 k( 312) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0027624 k( 313) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0027624 k( 314) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0027624 k( 315) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0027624 k( 316) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0027624 k( 317) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0027624 k( 318) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0027624 k( 319) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0027624 k( 320) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0027624 k( 321) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0027624 k( 322) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0027624 k( 323) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0027624 k( 324) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0027624 k( 325) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0027624 k( 326) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0027624 k( 327) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0027624 k( 328) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0027624 k( 329) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0027624 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027624 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027624 k( 332) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0027624 k( 333) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0027624 k( 334) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0027624 k( 335) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0027624 k( 336) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0027624 k( 337) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0027624 k( 338) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0027624 k( 339) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0027624 k( 340) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0027624 k( 341) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0027624 k( 342) = ( 0.5000000 0.5000000 0.1774193), wk = 0.0027624 k( 343) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0027624 k( 344) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0027624 k( 345) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0027624 k( 346) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0027624 k( 347) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0027624 k( 348) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0027624 k( 349) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0027624 k( 350) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0027624 k( 351) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0027624 k( 352) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0027624 k( 353) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0027624 k( 354) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0027624 k( 355) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0027624 k( 356) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0027624 k( 357) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0027624 k( 358) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0027624 k( 359) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0027624 k( 360) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0027624 k( 361) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0027624 k( 362) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027624 Dense grid: 89715 G-vectors FFT dimensions: ( 54, 54, 64) Smooth grid: 22493 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 180, 36) NL pseudopotentials 0.13 Mb ( 90, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2494) G-vector shells 0.01 Mb ( 1149) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 180, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) The potential is recalculated from file : ./KAuC2.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 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.3 secs Computing kpt #: 20 total cpu time spent up to now is 13.6 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.6 secs Computing kpt #: 27 total cpu time spent up to now is 16.0 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.7 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.6 secs Computing kpt #: 34 total cpu time spent up to now is 19.1 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.4 secs Computing kpt #: 38 total cpu time spent up to now is 20.8 secs Computing kpt #: 39 total cpu time spent up to now is 21.2 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.3 secs Computing kpt #: 43 total cpu time spent up to now is 22.7 secs Computing kpt #: 44 total cpu time spent up to now is 23.2 secs Computing kpt #: 45 total cpu time spent up to now is 23.6 secs Computing kpt #: 46 total cpu time spent up to now is 24.0 secs Computing kpt #: 47 total cpu time spent up to now is 24.3 secs Computing kpt #: 48 total cpu time spent up to now is 24.6 secs Computing kpt #: 49 total cpu time spent up to now is 24.9 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.4 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 25.9 secs Computing kpt #: 54 total cpu time spent up to now is 26.1 secs Computing kpt #: 55 total cpu time spent up to now is 26.4 secs Computing kpt #: 56 total cpu time spent up to now is 26.6 secs Computing kpt #: 57 total cpu time spent up to now is 26.8 secs Computing kpt #: 58 total cpu time spent up to now is 27.1 secs Computing kpt #: 59 total cpu time spent up to now is 27.3 secs Computing kpt #: 60 total cpu time spent up to now is 27.5 secs Computing kpt #: 61 total cpu time spent up to now is 27.8 secs Computing kpt #: 62 total cpu time spent up to now is 28.0 secs Computing kpt #: 63 total cpu time spent up to now is 28.2 secs Computing kpt #: 64 total cpu time spent up to now is 28.5 secs Computing kpt #: 65 total cpu time spent up to now is 28.7 secs Computing kpt #: 66 total cpu time spent up to now is 28.9 secs Computing kpt #: 67 total cpu time spent up to now is 29.2 secs Computing kpt #: 68 total cpu time spent up to now is 29.4 secs Computing kpt #: 69 total cpu time spent up to now is 29.7 secs Computing kpt #: 70 total cpu time spent up to now is 29.9 secs Computing kpt #: 71 total cpu time spent up to now is 30.2 secs Computing kpt #: 72 total cpu time spent up to now is 30.5 secs Computing kpt #: 73 total cpu time spent up to now is 30.7 secs Computing kpt #: 74 total cpu time spent up to now is 31.0 secs Computing kpt #: 75 total cpu time spent up to now is 31.3 secs Computing kpt #: 76 total cpu time spent up to now is 31.6 secs Computing kpt #: 77 total cpu time spent up to now is 31.8 secs Computing kpt #: 78 total cpu time spent up to now is 32.1 secs Computing kpt #: 79 total cpu time spent up to now is 32.4 secs Computing kpt #: 80 total cpu time spent up to now is 32.6 secs Computing kpt #: 81 total cpu time spent up to now is 32.9 secs Computing kpt #: 82 total cpu time spent up to now is 33.1 secs Computing kpt #: 83 total cpu time spent up to now is 33.4 secs Computing kpt #: 84 total cpu time spent up to now is 33.6 secs Computing kpt #: 85 total cpu time spent up to now is 33.9 secs Computing kpt #: 86 total cpu time spent up to now is 34.1 secs Computing kpt #: 87 total cpu time spent up to now is 34.4 secs Computing kpt #: 88 total cpu time spent up to now is 34.6 secs Computing kpt #: 89 total cpu time spent up to now is 34.8 secs Computing kpt #: 90 total cpu time spent up to now is 35.1 secs Computing kpt #: 91 total cpu time spent up to now is 35.3 secs Computing kpt #: 92 total cpu time spent up to now is 35.5 secs Computing kpt #: 93 total cpu time spent up to now is 35.8 secs Computing kpt #: 94 total cpu time spent up to now is 36.0 secs Computing kpt #: 95 total cpu time spent up to now is 36.3 secs Computing kpt #: 96 total cpu time spent up to now is 36.5 secs Computing kpt #: 97 total cpu time spent up to now is 36.7 secs Computing kpt #: 98 total cpu time spent up to now is 37.0 secs Computing kpt #: 99 total cpu time spent up to now is 37.2 secs Computing kpt #: 100 total cpu time spent up to now is 37.4 secs Computing kpt #: 101 total cpu time spent up to now is 37.7 secs Computing kpt #: 102 total cpu time spent up to now is 37.9 secs Computing kpt #: 103 total cpu time spent up to now is 38.1 secs Computing kpt #: 104 total cpu time spent up to now is 38.4 secs Computing kpt #: 105 total cpu time spent up to now is 38.6 secs Computing kpt #: 106 total cpu time spent up to now is 38.8 secs Computing kpt #: 107 total cpu time spent up to now is 39.1 secs Computing kpt #: 108 total cpu time spent up to now is 39.3 secs Computing kpt #: 109 total cpu time spent up to now is 39.6 secs Computing kpt #: 110 total cpu time spent up to now is 39.8 secs Computing kpt #: 111 total cpu time spent up to now is 40.1 secs Computing kpt #: 112 total cpu time spent up to now is 40.3 secs Computing kpt #: 113 total cpu time spent up to now is 40.6 secs Computing kpt #: 114 total cpu time spent up to now is 40.8 secs Computing kpt #: 115 total cpu time spent up to now is 41.1 secs Computing kpt #: 116 total cpu time spent up to now is 41.4 secs Computing kpt #: 117 total cpu time spent up to now is 41.8 secs Computing kpt #: 118 total cpu time spent up to now is 42.1 secs Computing kpt #: 119 total cpu time spent up to now is 42.5 secs Computing kpt #: 120 total cpu time spent up to now is 42.8 secs Computing kpt #: 121 total cpu time spent up to now is 43.2 secs Computing kpt #: 122 total cpu time spent up to now is 43.5 secs Computing kpt #: 123 total cpu time spent up to now is 43.8 secs Computing kpt #: 124 total cpu time spent up to now is 44.1 secs Computing kpt #: 125 total cpu time spent up to now is 44.4 secs Computing kpt #: 126 total cpu time spent up to now is 44.8 secs Computing kpt #: 127 total cpu time spent up to now is 45.1 secs Computing kpt #: 128 total cpu time spent up to now is 45.4 secs Computing kpt #: 129 total cpu time spent up to now is 45.7 secs Computing kpt #: 130 total cpu time spent up to now is 46.0 secs Computing kpt #: 131 total cpu time spent up to now is 46.5 secs Computing kpt #: 132 total cpu time spent up to now is 46.9 secs Computing kpt #: 133 total cpu time spent up to now is 47.2 secs Computing kpt #: 134 total cpu time spent up to now is 47.6 secs Computing kpt #: 135 total cpu time spent up to now is 47.9 secs Computing kpt #: 136 total cpu time spent up to now is 48.3 secs Computing kpt #: 137 total cpu time spent up to now is 48.6 secs Computing kpt #: 138 total cpu time spent up to now is 48.9 secs Computing kpt #: 139 total cpu time spent up to now is 49.2 secs Computing kpt #: 140 total cpu time spent up to now is 49.5 secs Computing kpt #: 141 total cpu time spent up to now is 49.8 secs Computing kpt #: 142 total cpu time spent up to now is 50.1 secs Computing kpt #: 143 total cpu time spent up to now is 50.5 secs Computing kpt #: 144 total cpu time spent up to now is 50.8 secs Computing kpt #: 145 total cpu time spent up to now is 51.1 secs Computing kpt #: 146 total cpu time spent up to now is 51.4 secs Computing kpt #: 147 total cpu time spent up to now is 51.7 secs Computing kpt #: 148 total cpu time spent up to now is 52.0 secs Computing kpt #: 149 total cpu time spent up to now is 52.3 secs Computing kpt #: 150 total cpu time spent up to now is 52.6 secs Computing kpt #: 151 total cpu time spent up to now is 52.9 secs Computing kpt #: 152 total cpu time spent up to now is 53.2 secs Computing kpt #: 153 total cpu time spent up to now is 53.5 secs Computing kpt #: 154 total cpu time spent up to now is 53.8 secs Computing kpt #: 155 total cpu time spent up to now is 54.1 secs Computing kpt #: 156 total cpu time spent up to now is 54.4 secs Computing kpt #: 157 total cpu time spent up to now is 54.8 secs Computing kpt #: 158 total cpu time spent up to now is 55.1 secs Computing kpt #: 159 total cpu time spent up to now is 56.7 secs Computing kpt #: 160 total cpu time spent up to now is 57.0 secs Computing kpt #: 161 total cpu time spent up to now is 57.3 secs Computing kpt #: 162 total cpu time spent up to now is 57.6 secs Computing kpt #: 163 total cpu time spent up to now is 57.9 secs Computing kpt #: 164 total cpu time spent up to now is 58.3 secs Computing kpt #: 165 total cpu time spent up to now is 58.6 secs Computing kpt #: 166 total cpu time spent up to now is 58.9 secs Computing kpt #: 167 total cpu time spent up to now is 59.3 secs Computing kpt #: 168 total cpu time spent up to now is 59.6 secs Computing kpt #: 169 total cpu time spent up to now is 59.9 secs Computing kpt #: 170 total cpu time spent up to now is 60.2 secs Computing kpt #: 171 total cpu time spent up to now is 60.6 secs Computing kpt #: 172 total cpu time spent up to now is 60.9 secs Computing kpt #: 173 total cpu time spent up to now is 61.2 secs Computing kpt #: 174 total cpu time spent up to now is 61.5 secs Computing kpt #: 175 total cpu time spent up to now is 61.8 secs Computing kpt #: 176 total cpu time spent up to now is 62.1 secs Computing kpt #: 177 total cpu time spent up to now is 62.4 secs Computing kpt #: 178 total cpu time spent up to now is 62.8 secs Computing kpt #: 179 total cpu time spent up to now is 63.1 secs Computing kpt #: 180 total cpu time spent up to now is 63.4 secs Computing kpt #: 181 total cpu time spent up to now is 63.7 secs Computing kpt #: 182 total cpu time spent up to now is 64.0 secs Computing kpt #: 183 total cpu time spent up to now is 64.4 secs Computing kpt #: 184 total cpu time spent up to now is 64.7 secs Computing kpt #: 185 total cpu time spent up to now is 65.0 secs Computing kpt #: 186 total cpu time spent up to now is 65.4 secs Computing kpt #: 187 total cpu time spent up to now is 65.7 secs Computing kpt #: 188 total cpu time spent up to now is 66.1 secs Computing kpt #: 189 total cpu time spent up to now is 66.4 secs Computing kpt #: 190 total cpu time spent up to now is 66.8 secs Computing kpt #: 191 total cpu time spent up to now is 67.1 secs Computing kpt #: 192 total cpu time spent up to now is 67.5 secs Computing kpt #: 193 total cpu time spent up to now is 67.8 secs Computing kpt #: 194 total cpu time spent up to now is 68.2 secs Computing kpt #: 195 total cpu time spent up to now is 68.5 secs Computing kpt #: 196 total cpu time spent up to now is 69.0 secs Computing kpt #: 197 total cpu time spent up to now is 69.4 secs Computing kpt #: 198 total cpu time spent up to now is 70.0 secs Computing kpt #: 199 total cpu time spent up to now is 70.3 secs Computing kpt #: 200 total cpu time spent up to now is 70.7 secs Computing kpt #: 201 total cpu time spent up to now is 70.9 secs Computing kpt #: 202 total cpu time spent up to now is 71.2 secs Computing kpt #: 203 total cpu time spent up to now is 71.5 secs Computing kpt #: 204 total cpu time spent up to now is 71.7 secs Computing kpt #: 205 total cpu time spent up to now is 72.0 secs Computing kpt #: 206 total cpu time spent up to now is 72.2 secs Computing kpt #: 207 total cpu time spent up to now is 72.5 secs Computing kpt #: 208 total cpu time spent up to now is 72.8 secs Computing kpt #: 209 total cpu time spent up to now is 73.0 secs Computing kpt #: 210 total cpu time spent up to now is 73.3 secs Computing kpt #: 211 total cpu time spent up to now is 73.5 secs Computing kpt #: 212 total cpu time spent up to now is 73.8 secs Computing kpt #: 213 total cpu time spent up to now is 74.1 secs Computing kpt #: 214 total cpu time spent up to now is 74.3 secs Computing kpt #: 215 total cpu time spent up to now is 74.6 secs Computing kpt #: 216 total cpu time spent up to now is 74.8 secs Computing kpt #: 217 total cpu time spent up to now is 75.1 secs Computing kpt #: 218 total cpu time spent up to now is 75.3 secs Computing kpt #: 219 total cpu time spent up to now is 75.6 secs Computing kpt #: 220 total cpu time spent up to now is 75.8 secs Computing kpt #: 221 total cpu time spent up to now is 76.1 secs Computing kpt #: 222 total cpu time spent up to now is 76.3 secs Computing kpt #: 223 total cpu time spent up to now is 76.6 secs Computing kpt #: 224 total cpu time spent up to now is 76.8 secs Computing kpt #: 225 total cpu time spent up to now is 77.1 secs Computing kpt #: 226 total cpu time spent up to now is 77.3 secs Computing kpt #: 227 total cpu time spent up to now is 77.6 secs Computing kpt #: 228 total cpu time spent up to now is 77.8 secs Computing kpt #: 229 total cpu time spent up to now is 78.1 secs Computing kpt #: 230 total cpu time spent up to now is 78.4 secs Computing kpt #: 231 total cpu time spent up to now is 78.6 secs Computing kpt #: 232 total cpu time spent up to now is 78.9 secs Computing kpt #: 233 total cpu time spent up to now is 79.2 secs Computing kpt #: 234 total cpu time spent up to now is 79.4 secs Computing kpt #: 235 total cpu time spent up to now is 79.7 secs Computing kpt #: 236 total cpu time spent up to now is 80.1 secs Computing kpt #: 237 total cpu time spent up to now is 80.4 secs Computing kpt #: 238 total cpu time spent up to now is 80.7 secs Computing kpt #: 239 total cpu time spent up to now is 81.0 secs Computing kpt #: 240 total cpu time spent up to now is 81.3 secs Computing kpt #: 241 total cpu time spent up to now is 81.7 secs Computing kpt #: 242 total cpu time spent up to now is 82.0 secs Computing kpt #: 243 total cpu time spent up to now is 82.4 secs Computing kpt #: 244 total cpu time spent up to now is 82.7 secs Computing kpt #: 245 total cpu time spent up to now is 83.1 secs Computing kpt #: 246 total cpu time spent up to now is 83.4 secs Computing kpt #: 247 total cpu time spent up to now is 83.7 secs Computing kpt #: 248 total cpu time spent up to now is 84.1 secs Computing kpt #: 249 total cpu time spent up to now is 84.4 secs Computing kpt #: 250 total cpu time spent up to now is 84.8 secs Computing kpt #: 251 total cpu time spent up to now is 85.1 secs Computing kpt #: 252 total cpu time spent up to now is 85.5 secs Computing kpt #: 253 total cpu time spent up to now is 85.8 secs Computing kpt #: 254 total cpu time spent up to now is 86.2 secs Computing kpt #: 255 total cpu time spent up to now is 86.5 secs Computing kpt #: 256 total cpu time spent up to now is 86.9 secs Computing kpt #: 257 total cpu time spent up to now is 87.2 secs Computing kpt #: 258 total cpu time spent up to now is 87.6 secs Computing kpt #: 259 total cpu time spent up to now is 88.1 secs Computing kpt #: 260 total cpu time spent up to now is 88.5 secs Computing kpt #: 261 total cpu time spent up to now is 88.9 secs Computing kpt #: 262 total cpu time spent up to now is 89.3 secs Computing kpt #: 263 total cpu time spent up to now is 89.7 secs Computing kpt #: 264 total cpu time spent up to now is 90.1 secs Computing kpt #: 265 total cpu time spent up to now is 90.4 secs Computing kpt #: 266 total cpu time spent up to now is 90.7 secs Computing kpt #: 267 total cpu time spent up to now is 90.9 secs Computing kpt #: 268 total cpu time spent up to now is 91.2 secs Computing kpt #: 269 total cpu time spent up to now is 91.4 secs Computing kpt #: 270 total cpu time spent up to now is 91.7 secs Computing kpt #: 271 total cpu time spent up to now is 92.0 secs Computing kpt #: 272 total cpu time spent up to now is 92.2 secs Computing kpt #: 273 total cpu time spent up to now is 92.5 secs Computing kpt #: 274 total cpu time spent up to now is 92.7 secs Computing kpt #: 275 total cpu time spent up to now is 93.0 secs Computing kpt #: 276 total cpu time spent up to now is 93.3 secs Computing kpt #: 277 total cpu time spent up to now is 93.5 secs Computing kpt #: 278 total cpu time spent up to now is 93.8 secs Computing kpt #: 279 total cpu time spent up to now is 94.1 secs Computing kpt #: 280 total cpu time spent up to now is 94.3 secs Computing kpt #: 281 total cpu time spent up to now is 94.6 secs Computing kpt #: 282 total cpu time spent up to now is 94.8 secs Computing kpt #: 283 total cpu time spent up to now is 95.2 secs Computing kpt #: 284 total cpu time spent up to now is 95.6 secs Computing kpt #: 285 total cpu time spent up to now is 96.0 secs Computing kpt #: 286 total cpu time spent up to now is 96.3 secs Computing kpt #: 287 total cpu time spent up to now is 96.6 secs Computing kpt #: 288 total cpu time spent up to now is 96.9 secs Computing kpt #: 289 total cpu time spent up to now is 97.3 secs Computing kpt #: 290 total cpu time spent up to now is 97.6 secs Computing kpt #: 291 total cpu time spent up to now is 97.9 secs Computing kpt #: 292 total cpu time spent up to now is 98.3 secs Computing kpt #: 293 total cpu time spent up to now is 98.6 secs Computing kpt #: 294 total cpu time spent up to now is 98.9 secs Computing kpt #: 295 total cpu time spent up to now is 99.2 secs Computing kpt #: 296 total cpu time spent up to now is 99.6 secs Computing kpt #: 297 total cpu time spent up to now is 99.9 secs Computing kpt #: 298 total cpu time spent up to now is 100.3 secs Computing kpt #: 299 total cpu time spent up to now is 100.6 secs Computing kpt #: 300 total cpu time spent up to now is 101.0 secs Computing kpt #: 301 total cpu time spent up to now is 101.4 secs Computing kpt #: 302 total cpu time spent up to now is 101.8 secs Computing kpt #: 303 total cpu time spent up to now is 102.1 secs Computing kpt #: 304 total cpu time spent up to now is 102.5 secs Computing kpt #: 305 total cpu time spent up to now is 102.9 secs Computing kpt #: 306 total cpu time spent up to now is 103.2 secs Computing kpt #: 307 total cpu time spent up to now is 103.6 secs Computing kpt #: 308 total cpu time spent up to now is 103.9 secs Computing kpt #: 309 total cpu time spent up to now is 104.3 secs Computing kpt #: 310 total cpu time spent up to now is 104.6 secs Computing kpt #: 311 total cpu time spent up to now is 104.9 secs Computing kpt #: 312 total cpu time spent up to now is 105.3 secs Computing kpt #: 313 total cpu time spent up to now is 105.6 secs Computing kpt #: 314 total cpu time spent up to now is 105.9 secs Computing kpt #: 315 total cpu time spent up to now is 106.2 secs Computing kpt #: 316 total cpu time spent up to now is 106.4 secs Computing kpt #: 317 total cpu time spent up to now is 106.7 secs Computing kpt #: 318 total cpu time spent up to now is 106.9 secs Computing kpt #: 319 total cpu time spent up to now is 107.2 secs Computing kpt #: 320 total cpu time spent up to now is 107.4 secs Computing kpt #: 321 total cpu time spent up to now is 107.7 secs Computing kpt #: 322 total cpu time spent up to now is 108.0 secs Computing kpt #: 323 total cpu time spent up to now is 108.2 secs Computing kpt #: 324 total cpu time spent up to now is 108.5 secs Computing kpt #: 325 total cpu time spent up to now is 108.7 secs Computing kpt #: 326 total cpu time spent up to now is 109.0 secs Computing kpt #: 327 total cpu time spent up to now is 109.3 secs Computing kpt #: 328 total cpu time spent up to now is 109.6 secs Computing kpt #: 329 total cpu time spent up to now is 109.9 secs Computing kpt #: 330 total cpu time spent up to now is 110.1 secs Computing kpt #: 331 total cpu time spent up to now is 110.4 secs Computing kpt #: 332 total cpu time spent up to now is 110.7 secs Computing kpt #: 333 total cpu time spent up to now is 111.0 secs Computing kpt #: 334 total cpu time spent up to now is 111.3 secs Computing kpt #: 335 total cpu time spent up to now is 111.5 secs Computing kpt #: 336 total cpu time spent up to now is 111.9 secs Computing kpt #: 337 total cpu time spent up to now is 112.2 secs Computing kpt #: 338 total cpu time spent up to now is 112.6 secs Computing kpt #: 339 total cpu time spent up to now is 112.9 secs Computing kpt #: 340 total cpu time spent up to now is 113.3 secs Computing kpt #: 341 total cpu time spent up to now is 113.6 secs Computing kpt #: 342 total cpu time spent up to now is 114.0 secs Computing kpt #: 343 total cpu time spent up to now is 114.3 secs Computing kpt #: 344 total cpu time spent up to now is 114.6 secs Computing kpt #: 345 total cpu time spent up to now is 114.9 secs Computing kpt #: 346 total cpu time spent up to now is 115.2 secs Computing kpt #: 347 total cpu time spent up to now is 115.5 secs Computing kpt #: 348 total cpu time spent up to now is 115.8 secs Computing kpt #: 349 total cpu time spent up to now is 116.1 secs Computing kpt #: 350 total cpu time spent up to now is 116.5 secs Computing kpt #: 351 total cpu time spent up to now is 116.8 secs Computing kpt #: 352 total cpu time spent up to now is 117.2 secs Computing kpt #: 353 total cpu time spent up to now is 117.5 secs Computing kpt #: 354 total cpu time spent up to now is 117.9 secs Computing kpt #: 355 total cpu time spent up to now is 118.3 secs Computing kpt #: 356 total cpu time spent up to now is 118.6 secs Computing kpt #: 357 total cpu time spent up to now is 118.9 secs Computing kpt #: 358 total cpu time spent up to now is 119.3 secs Computing kpt #: 359 total cpu time spent up to now is 119.6 secs Computing kpt #: 360 total cpu time spent up to now is 119.9 secs Computing kpt #: 361 total cpu time spent up to now is 120.3 secs Computing kpt #: 362 total cpu time spent up to now is 120.6 secs ethr = 3.57E-08, avg # of iterations = 26.6 total cpu time spent up to now is 120.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2793 PWs) bands (ev): -25.0825 -25.0825 -9.5492 -9.5492 -8.7713 -8.7713 -8.5197 -8.5197 -8.4516 -8.4516 -2.7833 -2.7833 -0.8766 -0.8766 0.1717 0.1717 0.2189 0.2189 1.3615 1.3615 1.3884 1.3884 1.8774 1.8774 1.9272 1.9272 2.0206 2.0206 9.7002 9.7002 9.8759 9.8759 10.1627 10.1627 10.5105 10.5105 k = 0.0000 0.0132-0.0000 ( 2787 PWs) bands (ev): -25.0824 -25.0824 -9.5499 -9.5499 -8.7710 -8.7710 -8.5195 -8.5195 -8.4512 -8.4512 -2.7833 -2.7833 -0.8766 -0.8766 0.1717 0.1717 0.2190 0.2190 1.3617 1.3617 1.3884 1.3884 1.8768 1.8768 1.9265 1.9265 2.0209 2.0209 9.7019 9.7019 9.8724 9.8724 10.1625 10.1625 10.5085 10.5085 k = 0.0000 0.0263-0.0000 ( 2787 PWs) bands (ev): -25.0824 -25.0824 -9.5522 -9.5522 -8.7703 -8.7703 -8.5187 -8.5187 -8.4500 -8.4500 -2.7832 -2.7832 -0.8764 -0.8764 0.1720 0.1720 0.2190 0.2190 1.3621 1.3621 1.3883 1.3883 1.8749 1.8749 1.9242 1.9242 2.0219 2.0219 9.7067 9.7067 9.8614 9.8614 10.1628 10.1628 10.5025 10.5025 k = 0.0000 0.0395-0.0000 ( 2783 PWs) bands (ev): -25.0823 -25.0823 -9.5560 -9.5560 -8.7691 -8.7691 -8.5175 -8.5175 -8.4479 -8.4479 -2.7829 -2.7829 -0.8762 -0.8762 0.1723 0.1723 0.2191 0.2191 1.3628 1.3628 1.3883 1.3883 1.8719 1.8719 1.9207 1.9207 2.0233 2.0233 9.7126 9.7126 9.8428 9.8428 10.1656 10.1656 10.4934 10.4934 k = 0.0000 0.0526-0.0000 ( 2779 PWs) bands (ev): -25.0822 -25.0822 -9.5612 -9.5612 -8.7674 -8.7674 -8.5159 -8.5159 -8.4449 -8.4449 -2.7826 -2.7826 -0.8758 -0.8758 0.1729 0.1729 0.2192 0.2192 1.3636 1.3636 1.3882 1.3882 1.8677 1.8677 1.9161 1.9161 2.0253 2.0253 9.7133 9.7133 9.8209 9.8209 10.1734 10.1734 10.4821 10.4821 k = 0.0000 0.0658-0.0000 ( 2769 PWs) bands (ev): -25.0821 -25.0821 -9.5678 -9.5678 -8.7654 -8.7654 -8.5139 -8.5139 -8.4410 -8.4410 -2.7822 -2.7822 -0.8754 -0.8754 0.1735 0.1735 0.2194 0.2194 1.3644 1.3644 1.3880 1.3880 1.8626 1.8626 1.9105 1.9105 2.0277 2.0277 9.6930 9.6930 9.8105 9.8105 10.1880 10.1880 10.4696 10.4696 k = 0.0000 0.0789-0.0000 ( 2775 PWs) bands (ev): -25.0819 -25.0819 -9.5756 -9.5756 -8.7630 -8.7630 -8.5118 -8.5118 -8.4362 -8.4362 -2.7818 -2.7818 -0.8749 -0.8749 0.1743 0.1743 0.2195 0.2195 1.3649 1.3649 1.3878 1.3878 1.8567 1.8567 1.9042 1.9042 2.0304 2.0304 9.6423 9.6423 9.8213 9.8213 10.2099 10.2099 10.4562 10.4562 k = 0.0000 0.0921-0.0000 ( 2779 PWs) bands (ev): -25.0818 -25.0818 -9.5846 -9.5846 -8.7604 -8.7604 -8.5095 -8.5095 -8.4303 -8.4303 -2.7812 -2.7812 -0.8743 -0.8743 0.1751 0.1751 0.2197 0.2197 1.3650 1.3650 1.3876 1.3876 1.8503 1.8503 1.8972 1.8972 2.0335 2.0335 9.5704 9.5704 9.8455 9.8455 10.2389 10.2389 10.4423 10.4423 k = 0.0000 0.1053-0.0000 ( 2779 PWs) bands (ev): -25.0816 -25.0816 -9.5946 -9.5946 -8.7577 -8.7577 -8.5072 -8.5072 -8.4234 -8.4234 -2.7806 -2.7806 -0.8736 -0.8736 0.1761 0.1761 0.2199 0.2199 1.3643 1.3643 1.3873 1.3873 1.8437 1.8437 1.8897 1.8897 2.0370 2.0370 9.4846 9.4846 9.8775 9.8775 10.2741 10.2741 10.4283 10.4283 k = 0.0000 0.1184-0.0000 ( 2775 PWs) bands (ev): -25.0814 -25.0814 -9.6054 -9.6054 -8.7548 -8.7548 -8.5049 -8.5049 -8.4154 -8.4154 -2.7799 -2.7799 -0.8728 -0.8728 0.1771 0.1771 0.2201 0.2201 1.3624 1.3624 1.3870 1.3870 1.8373 1.8373 1.8819 1.8819 2.0410 2.0410 9.3888 9.3888 9.9152 9.9152 10.3138 10.3138 10.4155 10.4155 k = 0.0000 0.1316-0.0000 ( 2777 PWs) bands (ev): -25.0811 -25.0811 -9.6171 -9.6171 -8.7518 -8.7518 -8.5026 -8.5026 -8.4065 -8.4065 -2.7792 -2.7792 -0.8719 -0.8719 0.1782 0.1782 0.2203 0.2203 1.3591 1.3591 1.3867 1.3867 1.8314 1.8314 1.8737 1.8737 2.0457 2.0457 9.2853 9.2853 9.9577 9.9577 10.3507 10.3507 10.4104 10.4104 k = 0.0000 0.1447-0.0000 ( 2787 PWs) bands (ev): -25.0809 -25.0809 -9.6294 -9.6294 -8.7489 -8.7489 -8.5004 -8.5004 -8.3967 -8.3967 -2.7783 -2.7783 -0.8710 -0.8710 0.1793 0.1793 0.2204 0.2204 1.3540 1.3540 1.3864 1.3864 1.8261 1.8261 1.8655 1.8655 2.0510 2.0510 9.1761 9.1761 10.0045 10.0045 10.3604 10.3604 10.4369 10.4369 k = 0.0000 0.1579-0.0000 ( 2790 PWs) bands (ev): -25.0807 -25.0807 -9.6423 -9.6423 -8.7459 -8.7459 -8.4982 -8.4982 -8.3861 -8.3861 -2.7775 -2.7775 -0.8700 -0.8700 0.1805 0.1805 0.2206 0.2206 1.3468 1.3468 1.3861 1.3861 1.8218 1.8218 1.8573 1.8573 2.0572 2.0572 9.0624 9.0624 10.0553 10.0553 10.3492 10.3492 10.4882 10.4882 k = 0.0000 0.1711-0.0000 ( 2798 PWs) bands (ev): -25.0804 -25.0804 -9.6556 -9.6556 -8.7430 -8.7430 -8.4962 -8.4962 -8.3748 -8.3748 -2.7766 -2.7766 -0.8689 -0.8689 0.1816 0.1816 0.2207 0.2207 1.3374 1.3374 1.3859 1.3859 1.8180 1.8180 1.8497 1.8497 2.0644 2.0644 8.9455 8.9455 10.1095 10.1095 10.3337 10.3337 10.5465 10.5465 k = 0.0000 0.1842-0.0000 ( 2792 PWs) bands (ev): -25.0801 -25.0801 -9.6691 -9.6691 -8.7402 -8.7402 -8.4942 -8.4942 -8.3629 -8.3629 -2.7756 -2.7756 -0.8678 -0.8678 0.1828 0.1828 0.2207 0.2207 1.3257 1.3257 1.3856 1.3856 1.8141 1.8141 1.8435 1.8435 2.0730 2.0730 8.8264 8.8264 10.1663 10.1663 10.3178 10.3178 10.6039 10.6039 k = 0.0000 0.1974-0.0000 ( 2792 PWs) bands (ev): -25.0798 -25.0798 -9.6828 -9.6828 -8.7374 -8.7374 -8.4923 -8.4923 -8.3505 -8.3505 -2.7746 -2.7746 -0.8667 -0.8667 0.1839 0.1839 0.2208 0.2208 1.3117 1.3117 1.3854 1.3854 1.8090 1.8090 1.8397 1.8397 2.0830 2.0830 8.7059 8.7059 10.2222 10.2222 10.3055 10.3055 10.6462 10.6462 k = 0.0000 0.2105-0.0000 ( 2788 PWs) bands (ev): -25.0795 -25.0795 -9.6966 -9.6966 -8.7348 -8.7348 -8.4904 -8.4904 -8.3377 -8.3377 -2.7736 -2.7736 -0.8655 -0.8655 0.1851 0.1851 0.2208 0.2208 1.2956 1.2956 1.3852 1.3852 1.8021 1.8021 1.8388 1.8388 2.0946 2.0946 8.5848 8.5848 10.2547 10.2547 10.3194 10.3194 10.6733 10.6733 k = 0.0000 0.2237-0.0000 ( 2790 PWs) bands (ev): -25.0792 -25.0792 -9.7104 -9.7104 -8.7322 -8.7322 -8.4887 -8.4887 -8.3248 -8.3248 -2.7725 -2.7725 -0.8642 -0.8642 0.1861 0.1861 0.2207 0.2207 1.2776 1.2776 1.3849 1.3849 1.7937 1.7937 1.8403 1.8403 2.1081 2.1081 8.4637 8.4637 10.2480 10.2480 10.3754 10.3754 10.6969 10.6969 k = 0.0000 0.2368-0.0000 ( 2786 PWs) bands (ev): -25.0788 -25.0788 -9.7241 -9.7241 -8.7298 -8.7298 -8.4869 -8.4869 -8.3117 -8.3117 -2.7714 -2.7714 -0.8629 -0.8629 0.1872 0.1872 0.2206 0.2206 1.2580 1.2580 1.3847 1.3847 1.7844 1.7844 1.8432 1.8432 2.1236 2.1236 8.3434 8.3434 10.2325 10.2325 10.4426 10.4426 10.7208 10.7208 k = 0.0000 0.2500-0.0000 ( 2790 PWs) bands (ev): -25.0785 -25.0785 -9.7376 -9.7376 -8.7275 -8.7275 -8.4853 -8.4853 -8.2985 -8.2985 -2.7703 -2.7703 -0.8616 -0.8616 0.1882 0.1882 0.2205 0.2205 1.2372 1.2372 1.3844 1.3844 1.7746 1.7746 1.8470 1.8470 2.1411 2.1411 8.2243 8.2243 10.2155 10.2155 10.5130 10.5130 10.7465 10.7465 k = 0.0000 0.2632-0.0000 ( 2794 PWs) bands (ev): -25.0782 -25.0782 -9.7509 -9.7509 -8.7253 -8.7253 -8.4836 -8.4836 -8.2855 -8.2855 -2.7693 -2.7693 -0.8603 -0.8603 0.1891 0.1891 0.2204 0.2204 1.2154 1.2154 1.3841 1.3841 1.7645 1.7645 1.8512 1.8512 2.1607 2.1607 8.1071 8.1071 10.1983 10.1983 10.5840 10.5840 10.7754 10.7754 k = 0.0000 0.2763-0.0000 ( 2794 PWs) bands (ev): -25.0779 -25.0779 -9.7638 -9.7638 -8.7232 -8.7232 -8.4821 -8.4821 -8.2726 -8.2726 -2.7682 -2.7682 -0.8590 -0.8590 0.1899 0.1899 0.2202 0.2202 1.1930 1.1930 1.3838 1.3838 1.7545 1.7545 1.8554 1.8554 2.1822 2.1822 7.9922 7.9922 10.1814 10.1814 10.6524 10.6524 10.8101 10.8101 k = 0.0000 0.2895-0.0000 ( 2790 PWs) bands (ev): -25.0775 -25.0775 -9.7762 -9.7762 -8.7212 -8.7212 -8.4806 -8.4806 -8.2600 -8.2600 -2.7671 -2.7671 -0.8577 -0.8577 0.1907 0.1907 0.2200 0.2200 1.1703 1.1703 1.3834 1.3834 1.7445 1.7445 1.8594 1.8594 2.2055 2.2055 7.8801 7.8801 10.1650 10.1650 10.7135 10.7136 10.8549 10.8549 k = 0.0000 0.3026-0.0000 ( 2790 PWs) bands (ev): -25.0772 -25.0772 -9.7883 -9.7883 -8.7194 -8.7194 -8.4791 -8.4791 -8.2478 -8.2478 -2.7661 -2.7661 -0.8565 -0.8565 0.1914 0.1914 0.2199 0.2199 1.1476 1.1476 1.3831 1.3831 1.7348 1.7348 1.8631 1.8631 2.2303 2.2303 7.7714 7.7714 10.1494 10.1494 10.7631 10.7631 10.9136 10.9136 k = 0.0000 0.3158-0.0000 ( 2790 PWs) bands (ev): -25.0769 -25.0769 -9.7998 -9.7998 -8.7176 -8.7176 -8.4777 -8.4777 -8.2360 -8.2360 -2.7651 -2.7651 -0.8552 -0.8552 0.1920 0.1920 0.2197 0.2197 1.1251 1.1251 1.3828 1.3828 1.7253 1.7253 1.8664 1.8664 2.2564 2.2564 7.6665 7.6665 10.1345 10.1345 10.8020 10.8020 10.9848 10.9849 k = 0.0000 0.3289-0.0000 ( 2790 PWs) bands (ev): -25.0766 -25.0766 -9.8107 -9.8107 -8.7160 -8.7160 -8.4764 -8.4764 -8.2246 -8.2246 -2.7641 -2.7641 -0.8540 -0.8540 0.1925 0.1925 0.2195 0.2195 1.1032 1.1032 1.3824 1.3824 1.7161 1.7161 1.8694 1.8694 2.2833 2.2833 7.5659 7.5659 10.1204 10.1204 10.8341 10.8341 11.0641 11.0641 k = 0.0000 0.3421-0.0000 ( 2790 PWs) bands (ev): -25.0763 -25.0763 -9.8210 -9.8210 -8.7145 -8.7145 -8.4752 -8.4752 -8.2139 -8.2139 -2.7631 -2.7631 -0.8528 -0.8528 0.1929 0.1929 0.2194 0.2194 1.0820 1.0820 1.3821 1.3821 1.7074 1.7074 1.8719 1.8719 2.3107 2.3107 7.4701 7.4701 10.1072 10.1072 10.8626 10.8626 11.1479 11.1479 k = 0.0000 0.3553-0.0000 ( 2790 PWs) bands (ev): -25.0761 -25.0761 -9.8306 -9.8306 -8.7131 -8.7131 -8.4740 -8.4740 -8.2038 -8.2038 -2.7622 -2.7622 -0.8517 -0.8517 0.1933 0.1933 0.2193 0.2193 1.0617 1.0617 1.3817 1.3817 1.6991 1.6991 1.8741 1.8741 2.3381 2.3381 7.3795 7.3795 10.0951 10.0951 10.8888 10.8888 11.2340 11.2340 k = 0.0000 0.3684-0.0000 ( 2792 PWs) bands (ev): -25.0758 -25.0758 -9.8395 -9.8395 -8.7119 -8.7119 -8.4729 -8.4729 -8.1944 -8.1944 -2.7614 -2.7614 -0.8507 -0.8507 0.1936 0.1936 0.2192 0.2192 1.0426 1.0426 1.3814 1.3814 1.6913 1.6913 1.8760 1.8760 2.3651 2.3651 7.2947 7.2947 10.0838 10.0838 10.9132 10.9132 11.3213 11.3213 k = 0.0000 0.3816-0.0000 ( 2792 PWs) bands (ev): -25.0756 -25.0756 -9.8477 -9.8477 -8.7107 -8.7107 -8.4719 -8.4719 -8.1857 -8.1857 -2.7606 -2.7606 -0.8497 -0.8497 0.1938 0.1938 0.2192 0.2192 1.0248 1.0248 1.3811 1.3811 1.6842 1.6842 1.8776 1.8776 2.3913 2.3913 7.2161 7.2161 10.0737 10.0737 10.9361 10.9361 11.4089 11.4089 k = 0.0000 0.3947-0.0000 ( 2792 PWs) bands (ev): -25.0754 -25.0754 -9.8551 -9.8551 -8.7097 -8.7097 -8.4710 -8.4710 -8.1778 -8.1778 -2.7599 -2.7599 -0.8488 -0.8488 0.1939 0.1939 0.2191 0.2191 1.0084 1.0084 1.3808 1.3808 1.6776 1.6776 1.8789 1.8789 2.4163 2.4163 7.1443 7.1443 10.0645 10.0645 10.9574 10.9574 11.4960 11.4960 k = 0.0000 0.4079-0.0000 ( 2788 PWs) bands (ev): -25.0752 -25.0752 -9.8617 -9.8617 -8.7088 -8.7088 -8.4702 -8.4702 -8.1707 -8.1707 -2.7593 -2.7593 -0.8480 -0.8480 0.1940 0.1940 0.2192 0.2192 0.9937 0.9937 1.3805 1.3805 1.6718 1.6718 1.8800 1.8800 2.4396 2.4396 7.0795 7.0795 10.0564 10.0564 10.9771 10.9771 11.5820 11.5820 k = 0.0000 0.4211-0.0000 ( 2780 PWs) bands (ev): -25.0750 -25.0750 -9.8674 -9.8674 -8.7080 -8.7080 -8.4695 -8.4695 -8.1645 -8.1645 -2.7587 -2.7587 -0.8473 -0.8473 0.1941 0.1941 0.2192 0.2192 0.9806 0.9806 1.3803 1.3803 1.6666 1.6666 1.8809 1.8809 2.4608 2.4608 7.0224 7.0224 10.0494 10.0494 10.9948 10.9948 11.6654 11.6655 k = 0.0000 0.4342-0.0000 ( 2784 PWs) bands (ev): -25.0748 -25.0748 -9.8723 -9.8723 -8.7073 -8.7073 -8.4689 -8.4689 -8.1592 -8.1592 -2.7582 -2.7582 -0.8467 -0.8467 0.1942 0.1942 0.2192 0.2192 0.9694 0.9694 1.3801 1.3801 1.6621 1.6621 1.8816 1.8816 2.4795 2.4795 6.9732 6.9732 10.0435 10.0435 11.0103 11.0103 11.6537 11.6537 k = 0.0000 0.4474-0.0000 ( 2782 PWs) bands (ev): -25.0747 -25.0747 -9.8764 -9.8764 -8.7068 -8.7068 -8.4684 -8.4684 -8.1548 -8.1548 -2.7578 -2.7578 -0.8461 -0.8461 0.1942 0.1942 0.2192 0.2192 0.9601 0.9601 1.3799 1.3799 1.6585 1.6585 1.8821 1.8821 2.4953 2.4953 6.9325 6.9325 10.0386 10.0386 11.0234 11.0234 11.6415 11.6415 k = 0.0000 0.4605-0.0000 ( 2788 PWs) bands (ev): -25.0746 -25.0746 -9.8795 -9.8795 -8.7064 -8.7064 -8.4680 -8.4680 -8.1514 -8.1514 -2.7575 -2.7575 -0.8457 -0.8457 0.1942 0.1942 0.2193 0.2193 0.9528 0.9528 1.3798 1.3798 1.6556 1.6556 1.8825 1.8825 2.5079 2.5079 6.9004 6.9004 10.0348 10.0348 11.0339 11.0339 11.6320 11.6320 k = 0.0000 0.4737-0.0000 ( 2776 PWs) bands (ev): -25.0745 -25.0745 -9.8818 -9.8818 -8.7060 -8.7060 -8.4677 -8.4677 -8.1489 -8.1489 -2.7572 -2.7572 -0.8454 -0.8454 0.1942 0.1942 0.2193 0.2193 0.9476 0.9476 1.3797 1.3797 1.6536 1.6536 1.8828 1.8828 2.5172 2.5172 6.8773 6.8773 10.0321 10.0321 11.0416 11.0416 11.6251 11.6251 k = 0.0000 0.4868-0.0000 ( 2784 PWs) bands (ev): -25.0745 -25.0745 -9.8832 -9.8832 -8.7059 -8.7059 -8.4676 -8.4676 -8.1475 -8.1475 -2.7571 -2.7571 -0.8453 -0.8453 0.1942 0.1942 0.2193 0.2193 0.9444 0.9444 1.3796 1.3796 1.6523 1.6523 1.8830 1.8830 2.5228 2.5228 6.8633 6.8633 10.0305 10.0305 11.0463 11.0463 11.6210 11.6210 k = 0.0000 0.5000-0.0000 ( 2792 PWs) bands (ev): -25.0745 -25.0745 -9.8836 -9.8836 -8.7058 -8.7058 -8.4675 -8.4675 -8.1470 -8.1470 -2.7571 -2.7571 -0.8452 -0.8452 0.1942 0.1942 0.2193 0.2193 0.9433 0.9433 1.3796 1.3796 1.6519 1.6519 1.8831 1.8831 2.5247 2.5247 6.8587 6.8587 10.0299 10.0299 11.0478 11.0478 11.6196 11.6196 k = 0.0000 0.5000-0.0000 ( 2792 PWs) bands (ev): -25.0745 -25.0745 -9.8836 -9.8836 -8.7058 -8.7058 -8.4675 -8.4675 -8.1470 -8.1470 -2.7571 -2.7571 -0.8452 -0.8452 0.1942 0.1942 0.2193 0.2193 0.9433 0.9433 1.3796 1.3796 1.6519 1.6519 1.8831 1.8831 2.5247 2.5247 6.8587 6.8587 10.0299 10.0299 11.0478 11.0478 11.6196 11.6196 k = 0.0132 0.5000-0.0000 ( 2784 PWs) bands (ev): -25.0745 -25.0745 -9.8831 -9.8831 -8.7059 -8.7059 -8.4677 -8.4677 -8.1476 -8.1476 -2.7570 -2.7570 -0.8450 -0.8450 0.1941 0.1941 0.2193 0.2193 0.9441 0.9441 1.3795 1.3795 1.6513 1.6513 1.8840 1.8840 2.5250 2.5250 6.8603 6.8603 10.0284 10.0284 11.0339 11.0339 11.6346 11.6346 k = 0.0263 0.5000-0.0000 ( 2792 PWs) bands (ev): -25.0745 -25.0745 -9.8816 -9.8816 -8.7061 -8.7061 -8.4684 -8.4684 -8.1495 -8.1495 -2.7570 -2.7570 -0.8444 -0.8444 0.1940 0.1940 0.2193 0.2193 0.9466 0.9466 1.3792 1.3792 1.6494 1.6494 1.8868 1.8868 2.5259 2.5259 6.8651 6.8651 10.0236 10.0236 10.9957 10.9957 11.6756 11.6756 k = 0.0395 0.5000-0.0000 ( 2796 PWs) bands (ev): -25.0744 -25.0744 -9.8792 -9.8792 -8.7064 -8.7064 -8.4694 -8.4694 -8.1526 -8.1526 -2.7568 -2.7568 -0.8433 -0.8433 0.1937 0.1937 0.2193 0.2193 0.9506 0.9506 1.3788 1.3788 1.6464 1.6464 1.8914 1.8914 2.5274 2.5274 6.8732 6.8732 10.0159 10.0159 10.9412 10.9412 11.7342 11.7342 k = 0.0526 0.5000-0.0000 ( 2788 PWs) bands (ev): -25.0743 -25.0743 -9.8757 -9.8757 -8.7068 -8.7068 -8.4709 -8.4709 -8.1569 -8.1569 -2.7566 -2.7566 -0.8418 -0.8418 0.1933 0.1933 0.2192 0.2192 0.9563 0.9563 1.3782 1.3782 1.6423 1.6423 1.8976 1.8976 2.5296 2.5296 6.8845 6.8845 10.0052 10.0052 10.8770 10.8770 11.8003 11.8003 k = 0.0658 0.5000-0.0000 ( 2784 PWs) bands (ev): -25.0742 -25.0742 -9.8713 -9.8713 -8.7074 -8.7074 -8.4727 -8.4727 -8.1625 -8.1625 -2.7564 -2.7564 -0.8399 -0.8399 0.1928 0.1928 0.2191 0.2191 0.9634 0.9634 1.3775 1.3775 1.6374 1.6374 1.9053 1.9053 2.5325 2.5325 6.8989 6.8989 9.9916 9.9916 10.8075 10.8075 11.8318 11.8318 k = 0.0789 0.5000-0.0000 ( 2782 PWs) bands (ev): -25.0741 -25.0741 -9.8660 -9.8660 -8.7081 -8.7081 -8.4749 -8.4749 -8.1692 -8.1692 -2.7561 -2.7561 -0.8376 -0.8376 0.1923 0.1923 0.2190 0.2190 0.9721 0.9721 1.3767 1.3767 1.6318 1.6318 1.9142 1.9142 2.5361 2.5361 6.9166 6.9166 9.9755 9.9755 10.7352 10.7352 11.7458 11.7458 k = 0.0921 0.5000-0.0000 ( 2786 PWs) bands (ev): -25.0739 -25.0739 -9.8597 -9.8597 -8.7090 -8.7090 -8.4775 -8.4775 -8.1771 -8.1771 -2.7558 -2.7558 -0.8350 -0.8350 0.1916 0.1916 0.2188 0.2188 0.9822 0.9822 1.3756 1.3756 1.6255 1.6255 1.9241 1.9241 2.5405 2.5405 6.9373 6.9373 9.9570 9.9570 10.6618 10.6618 11.6270 11.6270 k = 0.1053 0.5000-0.0000 ( 2778 PWs) bands (ev): -25.0737 -25.0737 -9.8525 -9.8525 -8.7100 -8.7100 -8.4803 -8.4803 -8.1861 -8.1861 -2.7554 -2.7554 -0.8319 -0.8319 0.1908 0.1908 0.2186 0.2186 0.9937 0.9937 1.3745 1.3745 1.6189 1.6189 1.9349 1.9349 2.5458 2.5458 6.9612 6.9612 9.9362 9.9362 10.5883 10.5883 11.4995 11.4995 k = 0.1184 0.5000-0.0000 ( 2778 PWs) bands (ev): -25.0735 -25.0735 -9.8443 -9.8443 -8.7112 -8.7112 -8.4835 -8.4835 -8.1963 -8.1963 -2.7550 -2.7550 -0.8285 -0.8285 0.1899 0.1899 0.2182 0.2182 1.0065 1.0065 1.3733 1.3733 1.6118 1.6118 1.9464 1.9464 2.5521 2.5521 6.9880 6.9880 9.9135 9.9135 10.5153 10.5153 11.3673 11.3673 k = 0.1316 0.5000-0.0000 ( 2778 PWs) bands (ev): -25.0733 -25.0733 -9.8353 -9.8353 -8.7126 -8.7126 -8.4869 -8.4869 -8.2074 -8.2074 -2.7545 -2.7545 -0.8248 -0.8248 0.1889 0.1889 0.2179 0.2179 1.0205 1.0205 1.3720 1.3720 1.6045 1.6045 1.9584 1.9584 2.5594 2.5594 7.0179 7.0179 9.8891 9.8891 10.4433 10.4433 11.2321 11.2321 k = 0.1447 0.5000-0.0000 ( 2780 PWs) bands (ev): -25.0731 -25.0731 -9.8254 -9.8254 -8.7142 -8.7142 -8.4905 -8.4905 -8.2196 -8.2196 -2.7540 -2.7540 -0.8207 -0.8207 0.1878 0.1878 0.2174 0.2174 1.0356 1.0356 1.3706 1.3706 1.5971 1.5971 1.9707 1.9707 2.5677 2.5677 7.0507 7.0507 9.8631 9.8631 10.3726 10.3726 11.0952 11.0952 k = 0.1579 0.5000-0.0000 ( 2780 PWs) bands (ev): -25.0729 -25.0729 -9.8147 -9.8147 -8.7160 -8.7160 -8.4942 -8.4942 -8.2327 -8.2327 -2.7535 -2.7535 -0.8163 -0.8163 0.1867 0.1867 0.2168 0.2168 1.0518 1.0518 1.3692 1.3692 1.5895 1.5895 1.9831 1.9831 2.5773 2.5773 7.0865 7.0865 9.8359 9.8359 10.3033 10.3033 10.9575 10.9575 k = 0.1711 0.5000-0.0000 ( 2784 PWs) bands (ev): -25.0726 -25.0726 -9.8032 -9.8032 -8.7181 -8.7181 -8.4981 -8.4981 -8.2467 -8.2467 -2.7530 -2.7530 -0.8117 -0.8117 0.1854 0.1854 0.2161 0.2161 1.0688 1.0688 1.3677 1.3677 1.5819 1.5819 1.9956 1.9956 2.5882 2.5882 7.1250 7.1250 9.8077 9.8077 10.2357 10.2357 10.8198 10.8198 k = 0.1842 0.5000-0.0000 ( 2784 PWs) bands (ev): -25.0724 -25.0724 -9.7909 -9.7909 -8.7203 -8.7203 -8.5021 -8.5021 -8.2615 -8.2615 -2.7524 -2.7524 -0.8068 -0.8068 0.1841 0.1841 0.2152 0.2152 1.0866 1.0866 1.3662 1.3662 1.5743 1.5743 2.0079 2.0079 2.6004 2.6004 7.1663 7.1663 9.7785 9.7785 10.1697 10.1697 10.6829 10.6829 k = 0.1974 0.5000-0.0000 ( 2780 PWs) bands (ev): -25.0721 -25.0721 -9.7779 -9.7779 -8.7229 -8.7229 -8.5060 -8.5060 -8.2770 -8.2770 -2.7518 -2.7518 -0.8016 -0.8016 0.1827 0.1827 0.2143 0.2143 1.1051 1.1051 1.3647 1.3647 1.5667 1.5667 2.0200 2.0200 2.6140 2.6140 7.2103 7.2103 9.7487 9.7487 10.1054 10.1054 10.5477 10.5477 k = 0.2105 0.5000-0.0000 ( 2788 PWs) bands (ev): -25.0718 -25.0718 -9.7642 -9.7642 -8.7257 -8.7257 -8.5100 -8.5100 -8.2932 -8.2932 -2.7512 -2.7512 -0.7963 -0.7963 0.1813 0.1813 0.2132 0.2132 1.1240 1.1240 1.3632 1.3632 1.5592 1.5592 2.0316 2.0316 2.6291 2.6291 7.2569 7.2569 9.7181 9.7181 10.0424 10.0424 10.4151 10.4151 k = 0.2237 0.5000-0.0000 ( 2788 PWs) bands (ev): -25.0715 -25.0715 -9.7498 -9.7498 -8.7288 -8.7288 -8.5140 -8.5140 -8.3099 -8.3099 -2.7505 -2.7505 -0.7908 -0.7908 0.1797 0.1797 0.2120 0.2120 1.1434 1.1434 1.3618 1.3618 1.5519 1.5519 2.0428 2.0428 2.6456 2.6456 7.3060 7.3060 9.6870 9.6870 9.9804 9.9804 10.2863 10.2863 k = 0.2368 0.5000-0.0000 ( 2796 PWs) bands (ev): -25.0713 -25.0713 -9.7349 -9.7349 -8.7322 -8.7322 -8.5179 -8.5179 -8.3271 -8.3271 -2.7499 -2.7499 -0.7852 -0.7852 0.1782 0.1782 0.2107 0.2107 1.1629 1.1629 1.3604 1.3604 1.5448 1.5448 2.0533 2.0533 2.6635 2.6635 7.3575 7.3575 9.6551 9.6551 9.9182 9.9182 10.1634 10.1634 k = 0.2500 0.5000-0.0000 ( 2810 PWs) bands (ev): -25.0710 -25.0710 -9.7195 -9.7195 -8.7360 -8.7360 -8.5217 -8.5217 -8.3448 -8.3448 -2.7493 -2.7493 -0.7795 -0.7795 0.1765 0.1765 0.2093 0.2093 1.1825 1.1825 1.3592 1.3592 1.5378 1.5378 2.0631 2.0631 2.6828 2.6828 7.4113 7.4113 9.6221 9.6221 9.8537 9.8537 10.0494 10.0494 k = 0.2632 0.5000-0.0000 ( 2814 PWs) bands (ev): -25.0707 -25.0707 -9.7036 -9.7036 -8.7400 -8.7400 -8.5253 -8.5253 -8.3626 -8.3626 -2.7487 -2.7487 -0.7737 -0.7737 0.1748 0.1748 0.2078 0.2078 1.2019 1.2019 1.3582 1.3582 1.5311 1.5311 2.0722 2.0722 2.7033 2.7033 7.4673 7.4673 9.5871 9.5871 9.7837 9.7837 9.9494 9.9494 k = 0.2763 0.5000-0.0000 ( 2810 PWs) bands (ev): -25.0704 -25.0704 -9.6874 -9.6874 -8.7444 -8.7444 -8.5288 -8.5288 -8.3806 -8.3806 -2.7481 -2.7481 -0.7679 -0.7679 0.1731 0.1731 0.2063 0.2063 1.2210 1.2210 1.3575 1.3575 1.5246 1.5246 2.0805 2.0805 2.7250 2.7250 7.5253 7.5253 9.5473 9.5473 9.7071 9.7071 9.8679 9.8679 k = 0.2895 0.5000-0.0000 ( 2814 PWs) bands (ev): -25.0702 -25.0702 -9.6708 -9.6708 -8.7490 -8.7490 -8.5321 -8.5321 -8.3985 -8.3985 -2.7474 -2.7474 -0.7621 -0.7621 0.1714 0.1714 0.2046 0.2046 1.2394 1.2394 1.3573 1.3573 1.5184 1.5184 2.0881 2.0881 2.7476 2.7476 7.5852 7.5852 9.4966 9.4966 9.6321 9.6321 9.8035 9.8035 k = 0.3026 0.5000-0.0000 ( 2818 PWs) bands (ev): -25.0699 -25.0699 -9.6541 -9.6541 -8.7540 -8.7540 -8.5352 -8.5352 -8.4163 -8.4163 -2.7468 -2.7468 -0.7564 -0.7564 0.1696 0.1696 0.2030 0.2030 1.2568 1.2568 1.3576 1.3576 1.5126 1.5126 2.0950 2.0950 2.7711 2.7711 7.6468 7.6468 9.4274 9.4274 9.5720 9.5720 9.7508 9.7508 k = 0.3158 0.5000-0.0000 ( 2822 PWs) bands (ev): -25.0696 -25.0696 -9.6372 -9.6372 -8.7593 -8.7593 -8.5381 -8.5381 -8.4339 -8.4339 -2.7463 -2.7463 -0.7508 -0.7508 0.1678 0.1678 0.2013 0.2013 1.2728 1.2728 1.3589 1.3589 1.5071 1.5071 2.1011 2.1011 2.7950 2.7950 7.7098 7.7098 9.3433 9.3433 9.5283 9.5283 9.7059 9.7059 k = 0.3289 0.5000-0.0000 ( 2814 PWs) bands (ev): -25.0693 -25.0693 -9.6204 -9.6204 -8.7649 -8.7649 -8.5409 -8.5409 -8.4509 -8.4509 -2.7457 -2.7457 -0.7453 -0.7453 0.1660 0.1660 0.1996 0.1996 1.2868 1.2868 1.3615 1.3615 1.5021 1.5021 2.1065 2.1065 2.8192 2.8192 7.7739 7.7739 9.2543 9.2543 9.4939 9.4939 9.6664 9.6664 k = 0.3421 0.5000-0.0000 ( 2814 PWs) bands (ev): -25.0691 -25.0691 -9.6037 -9.6037 -8.7708 -8.7708 -8.5434 -8.5434 -8.4674 -8.4674 -2.7452 -2.7452 -0.7400 -0.7400 0.1642 0.1642 0.1980 0.1980 1.2982 1.2982 1.3659 1.3659 1.4975 1.4975 2.1112 2.1112 2.8434 2.8434 7.8386 7.8386 9.1665 9.1665 9.4643 9.4643 9.6313 9.6313 k = 0.3553 0.5000-0.0000 ( 2818 PWs) bands (ev): -25.0689 -25.0689 -9.5873 -9.5873 -8.7768 -8.7768 -8.5459 -8.5459 -8.4830 -8.4830 -2.7446 -2.7446 -0.7349 -0.7349 0.1624 0.1624 0.1964 0.1964 1.3067 1.3067 1.3724 1.3724 1.4933 1.4933 2.1153 2.1153 2.8673 2.8673 7.9034 7.9034 9.0834 9.0834 9.4378 9.4378 9.5998 9.5998 k = 0.3684 0.5000-0.0000 ( 2820 PWs) bands (ev): -25.0686 -25.0686 -9.5713 -9.5713 -8.7831 -8.7831 -8.5482 -8.5482 -8.4976 -8.4976 -2.7442 -2.7442 -0.7301 -0.7301 0.1606 0.1606 0.1949 0.1949 1.3124 1.3124 1.3806 1.3806 1.4896 1.4896 2.1189 2.1189 2.8906 2.8906 7.9676 7.9676 9.0069 9.0069 9.4137 9.4137 9.5716 9.5716 k = 0.3816 0.5000-0.0000 ( 2816 PWs) bands (ev): -25.0684 -25.0684 -9.5559 -9.5559 -8.7894 -8.7894 -8.5505 -8.5505 -8.5110 -8.5110 -2.7437 -2.7437 -0.7256 -0.7256 0.1590 0.1590 0.1935 0.1935 1.3159 1.3159 1.3899 1.3899 1.4864 1.4864 2.1219 2.1219 2.9129 2.9129 8.0302 8.0302 8.9386 8.9386 9.3917 9.3917 9.5464 9.5464 k = 0.3947 0.5000-0.0000 ( 2824 PWs) bands (ev): -25.0683 -25.0683 -9.5414 -9.5414 -8.7957 -8.7957 -8.5531 -8.5531 -8.5229 -8.5229 -2.7433 -2.7433 -0.7215 -0.7215 0.1574 0.1574 0.1922 0.1922 1.3179 1.3179 1.3992 1.3992 1.4838 1.4838 2.1245 2.1245 2.9339 2.9339 8.0897 8.0897 8.8801 8.8801 9.3718 9.3718 9.5238 9.5238 k = 0.4079 0.5000-0.0000 ( 2828 PWs) bands (ev): -25.0681 -25.0681 -9.5278 -9.5278 -8.8019 -8.8019 -8.5561 -8.5561 -8.5327 -8.5327 -2.7430 -2.7430 -0.7178 -0.7178 0.1559 0.1559 0.1911 0.1911 1.3190 1.3190 1.4081 1.4081 1.4819 1.4819 2.1267 2.1267 2.9533 2.9533 8.1443 8.1443 8.8331 8.8331 9.3540 9.3540 9.5038 9.5038 k = 0.4211 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0680 -25.0680 -9.5155 -9.5155 -8.8078 -8.8078 -8.5600 -8.5600 -8.5401 -8.5401 -2.7426 -2.7426 -0.7144 -0.7144 0.1546 0.1546 0.1901 0.1901 1.3196 1.3196 1.4159 1.4159 1.4806 1.4806 2.1285 2.1285 2.9709 2.9709 8.1918 8.1918 8.7992 8.7992 9.3384 9.3384 9.4859 9.4859 k = 0.4342 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0678 -25.0678 -9.5046 -9.5046 -8.8133 -8.8133 -8.5648 -8.5648 -8.5449 -8.5449 -2.7424 -2.7424 -0.7116 -0.7116 0.1534 0.1534 0.1892 0.1892 1.3198 1.3198 1.4225 1.4225 1.4800 1.4800 2.1299 2.1299 2.9863 2.9863 8.2300 8.2300 8.7798 8.7798 9.3250 9.3250 9.4700 9.4700 k = 0.4474 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0677 -25.0677 -9.4953 -9.4953 -8.8181 -8.8181 -8.5699 -8.5699 -8.5478 -8.5478 -2.7421 -2.7421 -0.7092 -0.7092 0.1524 0.1524 0.1884 0.1884 1.3198 1.3198 1.4276 1.4276 1.4799 1.4799 2.1310 2.1310 2.9993 2.9993 8.2577 8.2577 8.7743 8.7743 9.3140 9.3140 9.4558 9.4558 k = 0.4605 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0676 -25.0676 -9.4878 -9.4878 -8.8221 -8.8221 -8.5744 -8.5744 -8.5495 -8.5495 -2.7420 -2.7420 -0.7073 -0.7073 0.1516 0.1516 0.1879 0.1879 1.3198 1.3198 1.4313 1.4313 1.4803 1.4803 2.1319 2.1319 3.0096 3.0096 8.2753 8.2753 8.7800 8.7800 9.3053 9.3053 9.4432 9.4432 k = 0.4737 0.5000-0.0000 ( 2828 PWs) bands (ev): -25.0676 -25.0676 -9.4823 -9.4823 -8.8250 -8.8250 -8.5778 -8.5778 -8.5505 -8.5505 -2.7419 -2.7419 -0.7059 -0.7059 0.1510 0.1510 0.1875 0.1875 1.3197 1.3197 1.4338 1.4338 1.4808 1.4808 2.1325 2.1325 3.0171 3.0171 8.2849 8.2849 8.7914 8.7914 9.2990 9.2990 9.4324 9.4324 k = 0.4868 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4790 -9.4790 -8.8269 -8.8269 -8.5799 -8.5799 -8.5511 -8.5511 -2.7418 -2.7418 -0.7051 -0.7051 0.1507 0.1507 0.1872 0.1872 1.3197 1.3197 1.4352 1.4352 1.4813 1.4813 2.1328 2.1328 3.0217 3.0217 8.2893 8.2893 8.8020 8.8020 9.2952 9.2952 9.4247 9.4247 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4778 -9.4778 -8.8275 -8.8275 -8.5806 -8.5806 -8.5512 -8.5512 -2.7418 -2.7418 -0.7048 -0.7048 0.1506 0.1506 0.1871 0.1871 1.3197 1.3197 1.4356 1.4356 1.4814 1.4814 2.1329 2.1329 3.0232 3.0232 8.2906 8.2906 8.8062 8.8062 9.2940 9.2940 9.4218 9.4218 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4778 -9.4778 -8.8275 -8.8275 -8.5806 -8.5806 -8.5512 -8.5512 -2.7418 -2.7418 -0.7048 -0.7048 0.1506 0.1506 0.1871 0.1871 1.3197 1.3197 1.4356 1.4356 1.4814 1.4814 2.1329 2.1329 3.0232 3.0232 8.2906 8.2906 8.8062 8.8062 9.2940 9.2940 9.4218 9.4218 k = 0.4907 0.4907-0.0000 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4790 -9.4790 -8.8269 -8.8269 -8.5799 -8.5799 -8.5511 -8.5511 -2.7418 -2.7418 -0.7051 -0.7051 0.1507 0.1507 0.1872 0.1872 1.3197 1.3197 1.4352 1.4352 1.4813 1.4813 2.1328 2.1328 3.0217 3.0217 8.2894 8.2894 8.8020 8.8020 9.2952 9.2952 9.4247 9.4247 k = 0.4815 0.4815-0.0000 ( 2832 PWs) bands (ev): -25.0676 -25.0676 -9.4822 -9.4822 -8.8251 -8.8251 -8.5778 -8.5778 -8.5505 -8.5505 -2.7419 -2.7419 -0.7059 -0.7059 0.1510 0.1510 0.1875 0.1875 1.3197 1.3197 1.4338 1.4338 1.4809 1.4809 2.1325 2.1325 3.0171 3.0171 8.2858 8.2858 8.7904 8.7904 9.2989 9.2989 9.4323 9.4323 k = 0.4722 0.4722-0.0000 ( 2828 PWs) bands (ev): -25.0676 -25.0676 -9.4876 -9.4876 -8.8222 -8.8222 -8.5745 -8.5745 -8.5494 -8.5494 -2.7420 -2.7420 -0.7073 -0.7073 0.1516 0.1516 0.1879 0.1879 1.3198 1.3198 1.4313 1.4313 1.4804 1.4804 2.1319 2.1319 3.0096 3.0096 8.2795 8.2795 8.7748 8.7748 9.3050 9.3050 9.4431 9.4431 k = 0.4630 0.4630-0.0000 ( 2832 PWs) bands (ev): -25.0677 -25.0677 -9.4949 -9.4949 -8.8184 -8.8184 -8.5704 -8.5704 -8.5474 -8.5474 -2.7421 -2.7421 -0.7091 -0.7091 0.1524 0.1524 0.1884 0.1884 1.3198 1.3198 1.4275 1.4275 1.4803 1.4803 2.1311 2.1311 2.9991 2.9991 8.2701 8.2701 8.7588 8.7588 9.3134 9.3134 9.4558 9.4558 k = 0.4537 0.4537-0.0000 ( 2832 PWs) bands (ev): -25.0678 -25.0678 -9.5039 -9.5039 -8.8139 -8.8139 -8.5662 -8.5662 -8.5438 -8.5438 -2.7424 -2.7424 -0.7115 -0.7115 0.1534 0.1534 0.1892 0.1892 1.3198 1.3198 1.4223 1.4223 1.4807 1.4807 2.1301 2.1301 2.9857 2.9857 8.2573 8.2573 8.7457 8.7457 9.3237 9.3237 9.4701 9.4701 k = 0.4444 0.4444-0.0000 ( 2832 PWs) bands (ev): -25.0680 -25.0680 -9.5143 -9.5143 -8.8089 -8.8089 -8.5625 -8.5625 -8.5379 -8.5379 -2.7426 -2.7426 -0.7143 -0.7143 0.1546 0.1546 0.1901 0.1901 1.3196 1.3196 1.4157 1.4157 1.4819 1.4819 2.1289 2.1289 2.9695 2.9695 8.2413 8.2413 8.7379 8.7379 9.3361 9.3361 9.4861 9.4861 k = 0.4352 0.4352-0.0000 ( 2828 PWs) bands (ev): -25.0681 -25.0681 -9.5259 -9.5259 -8.8037 -8.8037 -8.5599 -8.5599 -8.5295 -8.5295 -2.7430 -2.7430 -0.7176 -0.7176 0.1559 0.1559 0.1911 0.1911 1.3190 1.3190 1.4079 1.4079 1.4840 1.4840 2.1275 2.1275 2.9506 2.9506 8.2225 8.2225 8.7366 8.7366 9.3501 9.3501 9.5041 9.5041 k = 0.4259 0.4259-0.0000 ( 2818 PWs) bands (ev): -25.0683 -25.0683 -9.5384 -9.5384 -8.7984 -8.7984 -8.5581 -8.5581 -8.5188 -8.5188 -2.7434 -2.7434 -0.7213 -0.7213 0.1573 0.1573 0.1923 0.1923 1.3180 1.3180 1.3993 1.3993 1.4868 1.4868 2.1258 2.1258 2.9290 2.9290 8.2018 8.2018 8.7421 8.7421 9.3658 9.3658 9.5245 9.5245 k = 0.4167 0.4167-0.0000 ( 2814 PWs) bands (ev): -25.0684 -25.0684 -9.5516 -9.5516 -8.7932 -8.7932 -8.5568 -8.5568 -8.5063 -8.5063 -2.7438 -2.7438 -0.7254 -0.7254 0.1589 0.1589 0.1936 0.1936 1.3161 1.3161 1.3904 1.3904 1.4904 1.4904 2.1240 2.1240 2.9050 2.9050 8.1802 8.1802 8.7543 8.7543 9.3828 9.3828 9.5475 9.5475 k = 0.4074 0.4074-0.0000 ( 2812 PWs) bands (ev): -25.0687 -25.0687 -9.5653 -9.5653 -8.7881 -8.7881 -8.5557 -8.5557 -8.4925 -8.4925 -2.7443 -2.7443 -0.7299 -0.7299 0.1605 0.1605 0.1951 0.1951 1.3130 1.3130 1.3819 1.3819 1.4947 1.4947 2.1220 2.1220 2.8786 2.8786 8.1588 8.1588 8.7725 8.7725 9.4010 9.4010 9.5733 9.5733 k = 0.3981 0.3981-0.0000 ( 2816 PWs) bands (ev): -25.0689 -25.0689 -9.5792 -9.5792 -8.7833 -8.7833 -8.5547 -8.5547 -8.4777 -8.4777 -2.7448 -2.7448 -0.7346 -0.7346 0.1622 0.1622 0.1967 0.1967 1.3082 1.3082 1.3744 1.3744 1.4997 1.4997 2.1198 2.1198 2.8500 2.8500 8.1386 8.1386 8.7964 8.7964 9.4202 9.4202 9.6020 9.6020 k = 0.3889 0.3889-0.0000 ( 2816 PWs) bands (ev): -25.0692 -25.0692 -9.5931 -9.5931 -8.7788 -8.7788 -8.5537 -8.5537 -8.4622 -8.4622 -2.7454 -2.7454 -0.7397 -0.7397 0.1639 0.1639 0.1985 0.1985 1.3015 1.3015 1.3685 1.3685 1.5053 1.5053 2.1175 2.1175 2.8193 2.8193 8.1205 8.1205 8.8251 8.8251 9.4404 9.4404 9.6335 9.6335 k = 0.3796 0.3796-0.0000 ( 2810 PWs) bands (ev): -25.0694 -25.0694 -9.6068 -9.6068 -8.7746 -8.7746 -8.5528 -8.5528 -8.4462 -8.4462 -2.7460 -2.7460 -0.7449 -0.7449 0.1656 0.1656 0.2003 0.2003 1.2928 1.2928 1.3645 1.3645 1.5114 1.5114 2.1151 2.1151 2.7867 2.7867 8.1050 8.1050 8.8583 8.8583 9.4615 9.4615 9.6681 9.6681 k = 0.3704 0.3704-0.0000 ( 2808 PWs) bands (ev): -25.0697 -25.0697 -9.6203 -9.6203 -8.7707 -8.7707 -8.5518 -8.5518 -8.4300 -8.4300 -2.7467 -2.7467 -0.7504 -0.7504 0.1673 0.1673 0.2022 0.2022 1.2827 1.2827 1.3620 1.3620 1.5181 1.5181 2.1125 2.1125 2.7525 2.7525 8.0926 8.0926 8.8955 8.8955 9.4834 9.4834 9.7054 9.7054 k = 0.3611 0.3611-0.0000 ( 2804 PWs) bands (ev): -25.0700 -25.0700 -9.6332 -9.6332 -8.7671 -8.7671 -8.5508 -8.5508 -8.4139 -8.4139 -2.7474 -2.7474 -0.7560 -0.7560 0.1690 0.1690 0.2041 0.2041 1.2716 1.2716 1.3607 1.3607 1.5253 1.5253 2.1098 2.1098 2.7167 2.7167 8.0837 8.0837 8.9363 8.9363 9.5062 9.5062 9.7454 9.7454 k = 0.3519 0.3519-0.0000 ( 2812 PWs) bands (ev): -25.0704 -25.0704 -9.6457 -9.6457 -8.7638 -8.7638 -8.5498 -8.5498 -8.3980 -8.3980 -2.7482 -2.7482 -0.7617 -0.7617 0.1706 0.1706 0.2061 0.2061 1.2602 1.2602 1.3604 1.3604 1.5330 1.5330 2.1071 2.1071 2.6796 2.6796 8.0787 8.0787 8.9803 8.9803 9.5298 9.5298 9.7878 9.7878 k = 0.3426 0.3426-0.0000 ( 2806 PWs) bands (ev): -25.0707 -25.0707 -9.6574 -9.6574 -8.7607 -8.7607 -8.5487 -8.5487 -8.3826 -8.3826 -2.7491 -2.7491 -0.7675 -0.7675 0.1722 0.1722 0.2081 0.2081 1.2490 1.2490 1.3606 1.3606 1.5412 1.5412 2.1043 2.1043 2.6413 2.6413 8.0776 8.0776 9.0273 9.0273 9.5543 9.5543 9.8325 9.8325 k = 0.3333 0.3333-0.0000 ( 2802 PWs) bands (ev): -25.0711 -25.0711 -9.6683 -9.6683 -8.7579 -8.7579 -8.5475 -8.5475 -8.3678 -8.3678 -2.7500 -2.7500 -0.7734 -0.7734 0.1737 0.1737 0.2100 0.2100 1.2384 1.2384 1.3613 1.3613 1.5499 1.5499 2.1014 2.1014 2.6021 2.6021 8.0806 8.0806 9.0769 9.0769 9.5797 9.5797 9.8793 9.8793 k = 0.3241 0.3241-0.0000 ( 2802 PWs) bands (ev): -25.0714 -25.0714 -9.6785 -9.6785 -8.7554 -8.7554 -8.5463 -8.5463 -8.3538 -8.3538 -2.7509 -2.7509 -0.7792 -0.7792 0.1751 0.1751 0.2119 0.2119 1.2286 1.2286 1.3623 1.3623 1.5589 1.5589 2.0985 2.0985 2.5622 2.5622 8.0878 8.0878 9.1289 9.1289 9.6059 9.6059 9.9278 9.9278 k = 0.3148 0.3148-0.0000 ( 2800 PWs) bands (ev): -25.0718 -25.0718 -9.6876 -9.6876 -8.7531 -8.7531 -8.5450 -8.5450 -8.3408 -8.3408 -2.7519 -2.7519 -0.7850 -0.7850 0.1764 0.1764 0.2137 0.2137 1.2199 1.2199 1.3635 1.3635 1.5684 1.5684 2.0956 2.0956 2.5217 2.5217 8.0992 8.0992 9.1829 9.1829 9.6330 9.6330 9.9778 9.9778 k = 0.3056 0.3056-0.0000 ( 2796 PWs) bands (ev): -25.0722 -25.0722 -9.6958 -9.6958 -8.7510 -8.7510 -8.5436 -8.5436 -8.3290 -8.3290 -2.7529 -2.7529 -0.7907 -0.7907 0.1777 0.1777 0.2155 0.2155 1.2125 1.2125 1.3648 1.3648 1.5783 1.5783 2.0927 2.0927 2.4809 2.4809 8.1148 8.1148 9.2386 9.2386 9.6610 9.6610 10.0289 10.0289 k = 0.2963 0.2963-0.0000 ( 2798 PWs) bands (ev): -25.0726 -25.0726 -9.7030 -9.7030 -8.7491 -8.7491 -8.5421 -8.5421 -8.3183 -8.3183 -2.7540 -2.7540 -0.7964 -0.7964 0.1789 0.1789 0.2171 0.2171 1.2066 1.2066 1.3662 1.3662 1.5885 1.5885 2.0898 2.0898 2.4400 2.4400 8.1346 8.1346 9.2958 9.2958 9.6899 9.6899 10.0809 10.0809 k = 0.2870 0.2870-0.0000 ( 2792 PWs) bands (ev): -25.0730 -25.0730 -9.7091 -9.7091 -8.7474 -8.7474 -8.5406 -8.5406 -8.3089 -8.3089 -2.7551 -2.7551 -0.8019 -0.8019 0.1800 0.1800 0.2186 0.2186 1.2022 1.2022 1.3676 1.3676 1.5990 1.5990 2.0869 2.0869 2.3992 2.3992 8.1586 8.1586 9.3540 9.3540 9.7196 9.7196 10.1332 10.1332 k = 0.2778 0.2778-0.0000 ( 2800 PWs) bands (ev): -25.0735 -25.0735 -9.7142 -9.7142 -8.7459 -8.7459 -8.5390 -8.5390 -8.3010 -8.3010 -2.7562 -2.7562 -0.8073 -0.8073 0.1809 0.1809 0.2199 0.2199 1.1996 1.1996 1.3691 1.3691 1.6098 1.6098 2.0839 2.0839 2.3586 2.3586 8.1867 8.1867 9.4129 9.4129 9.7501 9.7501 10.1856 10.1856 k = 0.2685 0.2685-0.0000 ( 2800 PWs) bands (ev): -25.0739 -25.0739 -9.7181 -9.7181 -8.7446 -8.7446 -8.5374 -8.5374 -8.2945 -8.2945 -2.7574 -2.7574 -0.8126 -0.8126 0.1818 0.1818 0.2211 0.2211 1.1987 1.1987 1.3706 1.3706 1.6210 1.6210 2.0810 2.0810 2.3185 2.3185 8.2189 8.2189 9.4720 9.4720 9.7814 9.7814 10.2376 10.2376 k = 0.2593 0.2593-0.0000 ( 2798 PWs) bands (ev): -25.0743 -25.0743 -9.7209 -9.7209 -8.7434 -8.7434 -8.5357 -8.5357 -8.2895 -8.2895 -2.7585 -2.7585 -0.8176 -0.8176 0.1826 0.1826 0.2221 0.2221 1.1997 1.1997 1.3721 1.3721 1.6324 1.6324 2.0780 2.0780 2.2792 2.2792 8.2551 8.2551 9.5308 9.5308 9.8134 9.8134 10.2886 10.2886 k = 0.2500 0.2500-0.0000 ( 2794 PWs) bands (ev): -25.0747 -25.0747 -9.7225 -9.7225 -8.7425 -8.7425 -8.5340 -8.5340 -8.2860 -8.2860 -2.7598 -2.7598 -0.8225 -0.8225 0.1833 0.1833 0.2229 0.2229 1.2024 1.2024 1.3735 1.3735 1.6440 1.6440 2.0748 2.0748 2.2408 2.2408 8.2952 8.2952 9.5887 9.5887 9.8462 9.8462 10.3380 10.3380 k = 0.2407 0.2407-0.0000 ( 2796 PWs) bands (ev): -25.0752 -25.0752 -9.7231 -9.7231 -8.7417 -8.7417 -8.5322 -8.5322 -8.2840 -8.2840 -2.7610 -2.7610 -0.8271 -0.8271 0.1839 0.1839 0.2236 0.2236 1.2069 1.2069 1.3749 1.3749 1.6559 1.6559 2.0715 2.0715 2.2037 2.2037 8.3392 8.3392 9.6451 9.6451 9.8795 9.8795 10.3854 10.3854 k = 0.2315 0.2315-0.0000 ( 2793 PWs) bands (ev): -25.0756 -25.0756 -9.7225 -9.7225 -8.7411 -8.7411 -8.5304 -8.5304 -8.2836 -8.2836 -2.7622 -2.7622 -0.8316 -0.8316 0.1843 0.1843 0.2241 0.2241 1.2131 1.2131 1.3762 1.3762 1.6679 1.6679 2.0676 2.0676 2.1683 2.1683 8.3869 8.3869 9.6993 9.6993 9.9134 9.9134 10.4301 10.4301 k = 0.2222 0.2222-0.0000 ( 2793 PWs) bands (ev): -25.0761 -25.0761 -9.7208 -9.7208 -8.7407 -8.7407 -8.5286 -8.5286 -8.2846 -8.2846 -2.7635 -2.7635 -0.8358 -0.8358 0.1847 0.1847 0.2244 0.2244 1.2208 1.2208 1.3775 1.3775 1.6800 1.6800 2.0625 2.0625 2.1355 2.1355 8.4382 8.4382 9.7505 9.7505 9.9476 9.9476 10.4714 10.4714 k = 0.2130 0.2130-0.0000 ( 2793 PWs) bands (ev): -25.0765 -25.0765 -9.7181 -9.7181 -8.7405 -8.7405 -8.5268 -8.5268 -8.2871 -8.2871 -2.7648 -2.7648 -0.8398 -0.8398 0.1849 0.1849 0.2246 0.2246 1.2299 1.2299 1.3787 1.3787 1.6923 1.6923 2.0545 2.0545 2.1073 2.1073 8.4930 8.4930 9.7978 9.7978 9.9820 9.9820 10.5087 10.5087 k = 0.2037 0.2037-0.0000 ( 2781 PWs) bands (ev): -25.0769 -25.0769 -9.7142 -9.7142 -8.7404 -8.7404 -8.5249 -8.5249 -8.2910 -8.2910 -2.7660 -2.7660 -0.8435 -0.8435 0.1850 0.1850 0.2247 0.2247 1.2403 1.2403 1.3799 1.3799 1.7047 1.7047 2.0402 2.0402 2.0872 2.0872 8.5512 8.5512 9.8404 9.8404 10.0162 10.0162 10.5415 10.5415 k = 0.1944 0.1944-0.0000 ( 2777 PWs) bands (ev): -25.0773 -25.0773 -9.7095 -9.7095 -8.7405 -8.7405 -8.5231 -8.5231 -8.2963 -8.2963 -2.7673 -2.7673 -0.8470 -0.8470 0.1850 0.1850 0.2246 0.2246 1.2516 1.2516 1.3810 1.3810 1.7171 1.7171 2.0187 2.0187 2.0761 2.0761 8.6127 8.6127 9.8775 9.8775 10.0500 10.0500 10.5693 10.5693 k = 0.1852 0.1852-0.0000 ( 2781 PWs) bands (ev): -25.0777 -25.0777 -9.7037 -9.7037 -8.7409 -8.7409 -8.5214 -8.5214 -8.3027 -8.3027 -2.7685 -2.7685 -0.8503 -0.8503 0.1849 0.1849 0.2244 0.2244 1.2637 1.2637 1.3820 1.3820 1.7294 1.7294 1.9945 1.9945 2.0699 2.0699 8.6772 8.6772 9.9083 9.9083 10.0831 10.0831 10.5918 10.5918 k = 0.1759 0.1759-0.0000 ( 2777 PWs) bands (ev): -25.0781 -25.0781 -9.6971 -9.6971 -8.7414 -8.7414 -8.5197 -8.5197 -8.3103 -8.3103 -2.7697 -2.7697 -0.8533 -0.8533 0.1846 0.1846 0.2242 0.2242 1.2763 1.2763 1.3829 1.3829 1.7418 1.7418 1.9708 1.9708 2.0657 2.0657 8.7446 8.7446 9.9320 9.9320 10.1155 10.1155 10.6087 10.6087 k = 0.1667 0.1667-0.0000 ( 2781 PWs) bands (ev): -25.0785 -25.0785 -9.6897 -9.6897 -8.7421 -8.7421 -8.5180 -8.5180 -8.3189 -8.3189 -2.7709 -2.7709 -0.8562 -0.8562 0.1842 0.1842 0.2239 0.2239 1.2890 1.2890 1.3838 1.3838 1.7540 1.7540 1.9487 1.9487 2.0623 2.0623 8.8147 8.8147 9.9479 9.9479 10.1469 10.1469 10.6199 10.6199 k = 0.1574 0.1574-0.0000 ( 2781 PWs) bands (ev): -25.0789 -25.0789 -9.6814 -9.6814 -8.7430 -8.7430 -8.5165 -8.5165 -8.3283 -8.3283 -2.7721 -2.7721 -0.8587 -0.8587 0.1837 0.1837 0.2235 0.2235 1.3015 1.3015 1.3845 1.3845 1.7660 1.7660 1.9290 1.9290 2.0593 2.0593 8.8873 8.8873 9.9559 9.9559 10.1777 10.1777 10.6254 10.6254 k = 0.1481 0.1481-0.0000 ( 2783 PWs) bands (ev): -25.0793 -25.0793 -9.6726 -9.6726 -8.7440 -8.7440 -8.5151 -8.5151 -8.3384 -8.3384 -2.7733 -2.7733 -0.8611 -0.8611 0.1831 0.1831 0.2231 0.2231 1.3135 1.3135 1.3852 1.3852 1.7777 1.7777 1.9121 1.9121 2.0565 2.0565 8.9620 8.9620 9.9562 9.9562 10.2077 10.2077 10.6238 10.6238 k = 0.1389 0.1389-0.0000 ( 2777 PWs) bands (ev): -25.0796 -25.0796 -9.6632 -9.6632 -8.7453 -8.7453 -8.5138 -8.5138 -8.3490 -8.3490 -2.7744 -2.7744 -0.8633 -0.8633 0.1824 0.1824 0.2227 0.2227 1.3246 1.3246 1.3858 1.3858 1.7891 1.7891 1.8983 1.8983 2.0538 2.0538 9.0386 9.0386 9.9494 9.9494 10.2370 10.2370 10.6084 10.6084 k = 0.1296 0.1296-0.0000 ( 2777 PWs) bands (ev): -25.0800 -25.0800 -9.6533 -9.6533 -8.7468 -8.7468 -8.5126 -8.5126 -8.3600 -8.3600 -2.7754 -2.7754 -0.8652 -0.8652 0.1816 0.1816 0.2223 0.2223 1.3346 1.3346 1.3864 1.3864 1.7998 1.7998 1.8877 1.8877 2.0512 2.0512 9.1167 9.1167 9.9366 9.9366 10.2655 10.2655 10.5681 10.5681 k = 0.1204 0.1204-0.0000 ( 2779 PWs) bands (ev): -25.0803 -25.0803 -9.6431 -9.6431 -8.7484 -8.7484 -8.5117 -8.5117 -8.3711 -8.3711 -2.7764 -2.7764 -0.8670 -0.8670 0.1807 0.1807 0.2219 0.2219 1.3432 1.3432 1.3868 1.3868 1.8099 1.8099 1.8806 1.8806 2.0485 2.0485 9.1958 9.1958 9.9190 9.9190 10.2927 10.2927 10.5158 10.5158 k = 0.1111 0.1111-0.0000 ( 2787 PWs) bands (ev): -25.0806 -25.0806 -9.6327 -9.6327 -8.7503 -8.7503 -8.5110 -8.5110 -8.3821 -8.3821 -2.7774 -2.7774 -0.8686 -0.8686 0.1798 0.1798 0.2215 0.2215 1.3503 1.3503 1.3872 1.3872 1.8191 1.8191 1.8770 1.8770 2.0459 2.0459 9.2754 9.2754 9.8981 9.8981 10.3181 10.3181 10.4632 10.4632 k = 0.1019 0.1019-0.0000 ( 2785 PWs) bands (ev): -25.0809 -25.0809 -9.6223 -9.6223 -8.7523 -8.7523 -8.5106 -8.5106 -8.3929 -8.3929 -2.7783 -2.7783 -0.8700 -0.8700 0.1788 0.1788 0.2211 0.2211 1.3559 1.3559 1.3875 1.3875 1.8272 1.8272 1.8767 1.8767 2.0432 2.0432 9.3548 9.3548 9.8750 9.8750 10.3397 10.3397 10.4151 10.4152 k = 0.0926 0.0926-0.0000 ( 2781 PWs) bands (ev): -25.0811 -25.0811 -9.6119 -9.6119 -8.7544 -8.7544 -8.5105 -8.5105 -8.4031 -8.4031 -2.7791 -2.7791 -0.8713 -0.8713 0.1778 0.1778 0.2207 0.2207 1.3600 1.3600 1.3876 1.3876 1.8343 1.8343 1.8794 1.8794 2.0405 2.0405 9.4333 9.4333 9.8509 9.8509 10.3415 10.3415 10.3885 10.3885 k = 0.0833 0.0833-0.0000 ( 2781 PWs) bands (ev): -25.0814 -25.0814 -9.6018 -9.6018 -8.7567 -8.7567 -8.5107 -8.5107 -8.4126 -8.4126 -2.7799 -2.7799 -0.8724 -0.8724 0.1769 0.1769 0.2204 0.2204 1.3627 1.3627 1.3878 1.3878 1.8407 1.8407 1.8843 1.8843 2.0378 2.0378 9.5096 9.5096 9.8266 9.8266 10.3080 10.3080 10.3996 10.3996 k = 0.0741 0.0741-0.0000 ( 2781 PWs) bands (ev): -25.0816 -25.0816 -9.5921 -9.5921 -8.7590 -8.7590 -8.5113 -8.5113 -8.4213 -8.4213 -2.7806 -2.7806 -0.8733 -0.8733 0.1759 0.1759 0.2201 0.2201 1.3643 1.3643 1.3879 1.3879 1.8468 1.8468 1.8905 1.8905 2.0351 2.0351 9.5827 9.5827 9.8032 9.8032 10.2703 10.2703 10.4180 10.4180 k = 0.0648 0.0648-0.0000 ( 2787 PWs) bands (ev): -25.0818 -25.0818 -9.5830 -9.5830 -8.7613 -8.7613 -8.5122 -8.5122 -8.4289 -8.4289 -2.7812 -2.7812 -0.8741 -0.8741 0.1750 0.1750 0.2198 0.2198 1.3649 1.3649 1.3880 1.3880 1.8526 1.8526 1.8972 1.8972 2.0324 2.0324 9.6508 9.6508 9.7813 9.7813 10.2367 10.2367 10.4360 10.4360 k = 0.0556 0.0556-0.0000 ( 2783 PWs) bands (ev): -25.0820 -25.0820 -9.5747 -9.5747 -8.7635 -8.7635 -8.5134 -8.5134 -8.4353 -8.4353 -2.7818 -2.7818 -0.8748 -0.8748 0.1742 0.1742 0.2196 0.2196 1.3648 1.3648 1.3880 1.3880 1.8582 1.8582 1.9040 1.9040 2.0298 2.0298 9.7116 9.7116 9.7621 9.7621 10.2087 10.2088 10.4528 10.4528 k = 0.0463 0.0463-0.0000 ( 2783 PWs) bands (ev): -25.0821 -25.0821 -9.5673 -9.5673 -8.7657 -8.7657 -8.5148 -8.5148 -8.4406 -8.4406 -2.7822 -2.7822 -0.8754 -0.8754 0.1735 0.1735 0.2194 0.2194 1.3643 1.3643 1.3881 1.3881 1.8634 1.8634 1.9103 1.9103 2.0274 2.0274 9.7403 9.7403 9.7688 9.7688 10.1875 10.1875 10.4681 10.4681 k = 0.0370 0.0370-0.0000 ( 2783 PWs) bands (ev): -25.0822 -25.0822 -9.5610 -9.5610 -8.7675 -8.7675 -8.5162 -8.5162 -8.4448 -8.4448 -2.7826 -2.7826 -0.8758 -0.8758 0.1728 0.1728 0.2192 0.2192 1.3636 1.3636 1.3882 1.3882 1.8681 1.8681 1.9160 1.9160 2.0252 2.0252 9.7272 9.7272 9.8096 9.8096 10.1733 10.1733 10.4817 10.4817 k = 0.0278 0.0278-0.0000 ( 2783 PWs) bands (ev): -25.0823 -25.0823 -9.5559 -9.5559 -8.7691 -8.7691 -8.5176 -8.5176 -8.4478 -8.4478 -2.7829 -2.7829 -0.8762 -0.8762 0.1723 0.1723 0.2191 0.2191 1.3628 1.3628 1.3883 1.3883 1.8720 1.8720 1.9207 1.9207 2.0233 2.0233 9.7156 9.7156 9.8407 9.8407 10.1656 10.1656 10.4933 10.4933 k = 0.0185 0.0185-0.0000 ( 2783 PWs) bands (ev): -25.0824 -25.0824 -9.5522 -9.5522 -8.7703 -8.7703 -8.5187 -8.5187 -8.4499 -8.4499 -2.7831 -2.7831 -0.8764 -0.8764 0.1720 0.1720 0.2190 0.2190 1.3621 1.3621 1.3883 1.3883 1.8750 1.8750 1.9243 1.9243 2.0219 2.0219 9.7071 9.7071 9.8612 9.8612 10.1628 10.1628 10.5025 10.5025 k = 0.0093 0.0093-0.0000 ( 2787 PWs) bands (ev): -25.0824 -25.0824 -9.5499 -9.5499 -8.7710 -8.7710 -8.5195 -8.5195 -8.4512 -8.4512 -2.7833 -2.7833 -0.8766 -0.8766 0.1717 0.1717 0.2190 0.2190 1.3617 1.3617 1.3884 1.3884 1.8768 1.8768 1.9265 1.9265 2.0209 2.0209 9.7019 9.7019 9.8724 9.8724 10.1625 10.1625 10.5085 10.5085 k = 0.0000 0.0000 0.0000 ( 2793 PWs) bands (ev): -25.0825 -25.0825 -9.5492 -9.5492 -8.7713 -8.7713 -8.5197 -8.5197 -8.4516 -8.4516 -2.7833 -2.7833 -0.8766 -0.8766 0.1717 0.1717 0.2189 0.2189 1.3615 1.3615 1.3884 1.3884 1.8774 1.8774 1.9272 1.9272 2.0206 2.0206 9.7002 9.7002 9.8759 9.8759 10.1627 10.1627 10.5105 10.5106 k = 0.0000 0.0000 0.0000 ( 2793 PWs) bands (ev): -25.0825 -25.0825 -9.5492 -9.5492 -8.7713 -8.7713 -8.5197 -8.5197 -8.4516 -8.4516 -2.7833 -2.7833 -0.8766 -0.8766 0.1717 0.1717 0.2189 0.2189 1.3615 1.3615 1.3884 1.3884 1.8774 1.8774 1.9272 1.9272 2.0206 2.0206 9.7002 9.7002 9.8759 9.8759 10.1627 10.1627 10.5105 10.5106 k = 0.0000 0.0000 0.0131 ( 2781 PWs) bands (ev): -25.0824 -25.0824 -9.5487 -9.5487 -8.7713 -8.7713 -8.5197 -8.5197 -8.4516 -8.4516 -2.7908 -2.7908 -0.8681 -0.8681 0.1700 0.1700 0.2179 0.2179 1.3602 1.3602 1.3827 1.3827 1.8827 1.8827 1.9350 1.9350 2.0215 2.0215 9.7001 9.7001 9.8741 9.8741 10.1601 10.1601 10.4936 10.4936 k = 0.0000 0.0000 0.0262 ( 2769 PWs) bands (ev): -25.0824 -25.0824 -9.5472 -9.5472 -8.7714 -8.7714 -8.5198 -8.5198 -8.4516 -8.4516 -2.8127 -2.8127 -0.8431 -0.8431 0.1650 0.1650 0.2148 0.2148 1.3564 1.3564 1.3668 1.3668 1.8984 1.8984 1.9562 1.9562 2.0248 2.0248 9.7000 9.7000 9.8685 9.8685 10.1521 10.1521 10.4473 10.4473 k = 0.0000 0.0000 0.0392 ( 2773 PWs) bands (ev): -25.0824 -25.0824 -9.5448 -9.5448 -8.7716 -8.7716 -8.5199 -8.5199 -8.4516 -8.4516 -2.8480 -2.8480 -0.8029 -0.8029 0.1570 0.1570 0.2096 0.2096 1.3432 1.3432 1.3508 1.3508 1.9236 1.9236 1.9831 1.9831 2.0360 2.0360 9.6997 9.6997 9.8580 9.8580 10.1371 10.1371 10.3826 10.3826 k = 0.0000 0.0000 0.0523 ( 2784 PWs) bands (ev): -25.0824 -25.0824 -9.5414 -9.5414 -8.7718 -8.7718 -8.5202 -8.5202 -8.4516 -8.4516 -2.8947 -2.8947 -0.7496 -0.7496 0.1463 0.1463 0.2024 0.2024 1.3146 1.3146 1.3440 1.3440 1.9574 1.9574 2.0002 2.0002 2.0675 2.0675 9.6994 9.6994 9.8404 9.8404 10.1116 10.1116 10.3138 10.3138 k = 0.0000 0.0000 0.0654 ( 2784 PWs) bands (ev): -25.0824 -25.0824 -9.5372 -9.5372 -8.7721 -8.7721 -8.5204 -8.5204 -8.4516 -8.4516 -2.9508 -2.9508 -0.6853 -0.6853 0.1334 0.1334 0.1933 0.1933 1.2835 1.2835 1.3368 1.3368 1.9986 1.9986 2.0065 2.0065 2.1180 2.1180 9.6989 9.6989 9.8116 9.8116 10.0719 10.0719 10.2552 10.2552 k = 0.0000 0.0000 0.0785 ( 2788 PWs) bands (ev): -25.0824 -25.0824 -9.5320 -9.5320 -8.7724 -8.7724 -8.5207 -8.5207 -8.4516 -8.4516 -3.0144 -3.0144 -0.6126 -0.6126 0.1192 0.1192 0.1823 0.1823 1.2515 1.2515 1.3298 1.3298 2.0091 2.0091 2.0462 2.0462 2.1783 2.1783 9.6983 9.6983 9.7650 9.7650 10.0221 10.0221 10.2138 10.2139 k = 0.0000 0.0000 0.0915 ( 2796 PWs) bands (ev): -25.0824 -25.0824 -9.5260 -9.5260 -8.7728 -8.7728 -8.5211 -8.5211 -8.4516 -8.4516 -3.0837 -3.0837 -0.5341 -0.5341 0.1048 0.1048 0.1695 0.1695 1.2199 1.2199 1.3234 1.3234 2.0105 2.0105 2.0993 2.0993 2.2447 2.2447 9.6951 9.6951 9.6974 9.6974 9.9748 9.9748 10.1095 10.1095 k = 0.0000 0.0000 0.1046 ( 2796 PWs) bands (ev): -25.0824 -25.0824 -9.5192 -9.5192 -8.7733 -8.7733 -8.5214 -8.5214 -8.4516 -8.4516 -3.1569 -3.1569 -0.4529 -0.4529 0.0918 0.0918 0.1552 0.1552 1.1893 1.1893 1.3179 1.3179 2.0116 2.0116 2.1570 2.1570 2.3153 2.3153 9.6035 9.6035 9.6962 9.6962 9.9370 9.9370 9.9997 9.9997 k = 0.0000 0.0000 0.1177 ( 2796 PWs) bands (ev): -25.0824 -25.0824 -9.5117 -9.5117 -8.7738 -8.7738 -8.5219 -8.5219 -8.4517 -8.4517 -3.2328 -3.2328 -0.3727 -0.3727 0.0831 0.0831 0.1394 0.1394 1.1604 1.1604 1.3134 1.3134 2.0124 2.0124 2.2185 2.2185 2.3891 2.3891 9.4971 9.4971 9.6938 9.6938 9.8867 9.8867 9.9066 9.9066 k = 0.0000 0.0000 0.1308 ( 2800 PWs) bands (ev): -25.0824 -25.0824 -9.5035 -9.5035 -8.7744 -8.7744 -8.5223 -8.5223 -8.4517 -8.4517 -3.3101 -3.3101 -0.2992 -0.2992 0.0834 0.0834 0.1223 0.1223 1.1333 1.1333 1.3099 1.3099 2.0130 2.0130 2.2833 2.2833 2.4655 2.4655 9.3823 9.3823 9.6861 9.6861 9.7761 9.7761 9.8802 9.8802 k = 0.0000 0.0000 0.1439 ( 2800 PWs) bands (ev): -25.0824 -25.0824 -9.4947 -9.4947 -8.7749 -8.7749 -8.5228 -8.5228 -8.4517 -8.4517 -3.3880 -3.3880 -0.2409 -0.2409 0.1002 0.1002 0.1042 0.1042 1.1083 1.1083 1.3076 1.3076 2.0137 2.0137 2.3508 2.3508 2.5438 2.5438 9.2633 9.2633 9.6302 9.6302 9.7118 9.7118 9.8553 9.8553 k = 0.0000 0.0000 0.1569 ( 2804 PWs) bands (ev): -25.0824 -25.0824 -9.4854 -9.4854 -8.7756 -8.7756 -8.5234 -8.5234 -8.4517 -8.4517 -3.4656 -3.4656 -0.2052 -0.2052 0.0852 0.0852 0.1407 0.1407 1.0853 1.0853 1.3062 1.3062 2.0143 2.0143 2.4203 2.4203 2.6235 2.6235 9.1425 9.1425 9.5187 9.5187 9.7025 9.7025 9.8309 9.8309 k = 0.0000 0.0000 0.1700 ( 2804 PWs) bands (ev): -25.0824 -25.0824 -9.4756 -9.4756 -8.7763 -8.7763 -8.5239 -8.5239 -8.4517 -8.4517 -3.5422 -3.5422 -0.1922 -0.1922 0.0656 0.0656 0.2040 0.2040 1.0644 1.0644 1.3058 1.3058 2.0149 2.0149 2.4914 2.4914 2.7041 2.7041 9.0214 9.0214 9.4005 9.4005 9.6997 9.6997 9.8066 9.8066 k = 0.0000 0.0000 0.1831 ( 2804 PWs) bands (ev): -25.0823 -25.0823 -9.4655 -9.4655 -8.7770 -8.7770 -8.5245 -8.5245 -8.4518 -8.4518 -3.6173 -3.6173 -0.1947 -0.1947 0.0457 0.0457 0.2827 0.2827 1.0455 1.0455 1.3063 1.3063 2.0155 2.0155 2.5637 2.5637 2.7853 2.7853 8.9012 8.9012 9.2819 9.2819 9.6982 9.6982 9.7824 9.7824 k = 0.0000 0.0000 0.1962 ( 2800 PWs) bands (ev): -25.0823 -25.0823 -9.4550 -9.4550 -8.7777 -8.7777 -8.5250 -8.5250 -8.4518 -8.4518 -3.6903 -3.6903 -0.2060 -0.2060 0.0256 0.0256 0.3695 0.3695 1.0285 1.0285 1.3075 1.3075 2.0161 2.0161 2.6365 2.6365 2.8666 2.8666 8.7828 8.7828 9.1642 9.1642 9.6970 9.6970 9.7582 9.7582 k = 0.0000 0.0000 0.2093 ( 2800 PWs) bands (ev): -25.0823 -25.0823 -9.4445 -9.4445 -8.7784 -8.7784 -8.5256 -8.5256 -8.4518 -8.4518 -3.7608 -3.7608 -0.2218 -0.2218 0.0056 0.0056 0.4594 0.4594 1.0132 1.0132 1.3094 1.3094 2.0166 2.0166 2.7093 2.7093 2.9475 2.9475 8.6668 8.6668 9.0484 9.0484 9.6960 9.6960 9.7344 9.7344 k = 0.0000 0.0000 0.2223 ( 2792 PWs) bands (ev): -25.0822 -25.0822 -9.4339 -9.4339 -8.7792 -8.7792 -8.5262 -8.5262 -8.4518 -8.4518 -3.8284 -3.8284 -0.2398 -0.2398 -0.0140 -0.0140 0.5498 0.5498 0.9996 0.9996 1.3120 1.3120 2.0172 2.0172 2.7818 2.7818 3.0275 3.0275 8.5539 8.5539 8.9351 8.9351 9.6951 9.6951 9.7113 9.7113 k = 0.0000 0.0000 0.2354 ( 2800 PWs) bands (ev): -25.0822 -25.0822 -9.4233 -9.4233 -8.7799 -8.7799 -8.5268 -8.5268 -8.4518 -8.4518 -3.8928 -3.8928 -0.2586 -0.2586 -0.0332 -0.0332 0.6386 0.6386 0.9875 0.9875 1.3151 1.3151 2.0177 2.0177 2.8532 2.8532 3.1062 3.1062 8.4446 8.4446 8.8250 8.8250 9.6891 9.6891 9.6943 9.6943 k = 0.0000 0.0000 0.2485 ( 2816 PWs) bands (ev): -25.0823 -25.0823 -9.4130 -9.4130 -8.7807 -8.7807 -8.5274 -8.5274 -8.4519 -8.4519 -3.9536 -3.9536 -0.2774 -0.2774 -0.0516 -0.0516 0.7246 0.7246 0.9768 0.9768 1.3187 1.3187 2.0182 2.0182 2.9232 2.9232 3.1830 3.1830 8.3397 8.3397 8.7187 8.7187 9.6679 9.6679 9.6936 9.6936 k = 0.0000 0.0000 0.2616 ( 2824 PWs) bands (ev): -25.0823 -25.0823 -9.4028 -9.4028 -8.7815 -8.7815 -8.5280 -8.5280 -8.4519 -8.4519 -4.0105 -4.0105 -0.2957 -0.2957 -0.0692 -0.0692 0.8068 0.8068 0.9674 0.9674 1.3228 1.3228 2.0187 2.0187 2.9910 2.9910 3.2574 3.2574 8.2397 8.2397 8.6170 8.6170 9.6483 9.6483 9.6928 9.6928 k = 0.0000 0.0000 0.2746 ( 2832 PWs) bands (ev): -25.0823 -25.0823 -9.3931 -9.3931 -8.7822 -8.7822 -8.5285 -8.5285 -8.4519 -8.4519 -4.0634 -4.0634 -0.3131 -0.3131 -0.0857 -0.0857 0.8841 0.8841 0.9592 0.9592 1.3274 1.3274 2.0192 2.0192 3.0561 3.0561 3.3287 3.3287 8.1452 8.1452 8.5205 8.5205 9.6301 9.6301 9.6922 9.6922 k = 0.0000 0.0000 0.2877 ( 2820 PWs) bands (ev): -25.0822 -25.0822 -9.3839 -9.3839 -8.7829 -8.7829 -8.5290 -8.5290 -8.4519 -8.4519 -4.1120 -4.1120 -0.3293 -0.3293 -0.1010 -0.1010 0.9520 0.9520 0.9556 0.9556 1.3327 1.3327 2.0196 2.0196 3.1178 3.1178 3.3963 3.3963 8.0570 8.0570 8.4300 8.4300 9.6139 9.6139 9.6915 9.6915 k = 0.0000 0.0000 0.3008 ( 2820 PWs) bands (ev): -25.0822 -25.0822 -9.3753 -9.3753 -8.7835 -8.7835 -8.5295 -8.5295 -8.4519 -8.4519 -4.1560 -4.1560 -0.3442 -0.3442 -0.1150 -0.1150 0.9458 0.9458 1.0205 1.0205 1.3387 1.3387 2.0200 2.0200 3.1755 3.1755 3.4594 3.4594 7.9755 7.9755 8.3462 8.3462 9.5996 9.5996 9.6910 9.6910 k = 0.0000 0.0000 0.3139 ( 2820 PWs) bands (ev): -25.0822 -25.0822 -9.3674 -9.3674 -8.7841 -8.7841 -8.5299 -8.5299 -8.4519 -8.4519 -4.1953 -4.1953 -0.3577 -0.3577 -0.1276 -0.1276 0.9405 0.9405 1.0778 1.0778 1.3456 1.3456 2.0204 2.0204 3.2285 3.2285 3.5175 3.5175 7.9015 7.9015 8.2697 8.2697 9.5873 9.5873 9.6905 9.6905 k = 0.0000 0.0000 0.3270 ( 2828 PWs) bands (ev): -25.0822 -25.0822 -9.3604 -9.3604 -8.7847 -8.7847 -8.5303 -8.5303 -8.4520 -8.4520 -4.2297 -4.2297 -0.3695 -0.3695 -0.1387 -0.1387 0.9361 0.9361 1.1268 1.1268 1.3537 1.3537 2.0207 2.0207 3.2762 3.2762 3.5698 3.5698 7.8357 7.8357 8.2015 8.2015 9.5769 9.5769 9.6900 9.6900 k = 0.0000 0.0000 0.3400 ( 2824 PWs) bands (ev): -25.0822 -25.0822 -9.3542 -9.3542 -8.7851 -8.7851 -8.5306 -8.5306 -8.4520 -8.4520 -4.2591 -4.2591 -0.3796 -0.3796 -0.1483 -0.1483 0.9324 0.9324 1.1667 1.1667 1.3630 1.3630 2.0210 2.0210 3.3178 3.3178 3.6155 3.6155 7.7787 7.7787 8.1422 8.1422 9.5686 9.5686 9.6896 9.6896 k = 0.0000 0.0000 0.3531 ( 2820 PWs) bands (ev): -25.0822 -25.0822 -9.3491 -9.3491 -8.7855 -8.7855 -8.5309 -8.5309 -8.4520 -8.4520 -4.2833 -4.2833 -0.3880 -0.3880 -0.1561 -0.1561 0.9295 0.9295 1.1975 1.1975 1.3733 1.3733 2.0212 2.0212 3.3529 3.3529 3.6540 3.6540 7.7311 7.7311 8.0926 8.0926 9.5623 9.5623 9.6893 9.6893 k = 0.0000 0.0000 0.3662 ( 2828 PWs) bands (ev): -25.0822 -25.0822 -9.3450 -9.3450 -8.7859 -8.7859 -8.5311 -8.5311 -8.4520 -8.4520 -4.3022 -4.3022 -0.3946 -0.3946 -0.1623 -0.1623 0.9273 0.9273 1.2196 1.2196 1.3835 1.3835 2.0214 2.0214 3.3808 3.3808 3.6847 3.6847 7.6935 7.6935 8.0532 8.0532 9.5576 9.5576 9.6890 9.6890 k = 0.0000 0.0000 0.3793 ( 2836 PWs) bands (ev): -25.0822 -25.0822 -9.3421 -9.3421 -8.7861 -8.7861 -8.5313 -8.5313 -8.4520 -8.4520 -4.3158 -4.3158 -0.3993 -0.3993 -0.1668 -0.1668 0.9257 0.9257 1.2341 1.2341 1.3924 1.3924 2.0216 2.0216 3.4011 3.4011 3.7071 3.7071 7.6662 7.6662 8.0247 8.0247 9.5544 9.5544 9.6888 9.6888 k = 0.0000 0.0000 0.3923 ( 2836 PWs) bands (ev): -25.0822 -25.0822 -9.3403 -9.3403 -8.7862 -8.7862 -8.5314 -8.5314 -8.4520 -8.4520 -4.3240 -4.3240 -0.4022 -0.4022 -0.1694 -0.1694 0.9247 0.9247 1.2421 1.2421 1.3985 1.3985 2.0216 2.0216 3.4134 3.4134 3.7206 3.7206 7.6497 7.6497 8.0074 8.0074 9.5526 9.5526 9.6887 9.6887 k = 0.0000 0.0000 0.4054 ( 2852 PWs) bands (ev): -25.0822 -25.0822 -9.3397 -9.3397 -8.7863 -8.7863 -8.5314 -8.5314 -8.4521 -8.4521 -4.3267 -4.3267 -0.4031 -0.4031 -0.1704 -0.1704 0.9244 0.9244 1.2447 1.2447 1.4006 1.4006 2.0217 2.0217 3.4175 3.4175 3.7251 3.7251 7.6441 7.6441 8.0015 8.0015 9.5520 9.5520 9.6887 9.6887 k = 0.0000 0.0000 0.4054 ( 2852 PWs) bands (ev): -25.0822 -25.0822 -9.3397 -9.3397 -8.7863 -8.7863 -8.5314 -8.5314 -8.4521 -8.4521 -4.3267 -4.3267 -0.4031 -0.4031 -0.1704 -0.1704 0.9244 0.9244 1.2447 1.2447 1.4006 1.4006 2.0217 2.0217 3.4175 3.4175 3.7251 3.7251 7.6441 7.6441 8.0015 8.0015 9.5520 9.5520 9.6887 9.6887 k = 0.0000 0.0132 0.4054 ( 2840 PWs) bands (ev): -25.0822 -25.0822 -9.3407 -9.3407 -8.7860 -8.7860 -8.5311 -8.5311 -8.4515 -8.4515 -4.3267 -4.3267 -0.4035 -0.4035 -0.1707 -0.1707 0.9243 0.9243 1.2453 1.2453 1.4012 1.4012 2.0216 2.0216 3.4169 3.4169 3.7246 3.7246 7.6423 7.6423 7.9997 7.9997 9.5541 9.5541 9.6913 9.6913 k = 0.0000 0.0263 0.4054 ( 2832 PWs) bands (ev): -25.0821 -25.0821 -9.3437 -9.3437 -8.7850 -8.7850 -8.5300 -8.5300 -8.4500 -8.4500 -4.3266 -4.3266 -0.4044 -0.4044 -0.1717 -0.1717 0.9238 0.9238 1.2471 1.2471 1.4031 1.4031 2.0216 2.0216 3.4150 3.4150 3.7229 3.7229 7.6366 7.6366 7.9943 7.9943 9.5601 9.5601 9.6991 9.6991 k = 0.0000 0.0395 0.4054 ( 2828 PWs) bands (ev): -25.0821 -25.0821 -9.3487 -9.3487 -8.7835 -8.7835 -8.5283 -8.5283 -8.4474 -8.4474 -4.3266 -4.3266 -0.4060 -0.4060 -0.1734 -0.1734 0.9231 0.9231 1.2500 1.2500 1.4061 1.4061 2.0215 2.0215 3.4119 3.4119 3.7200 3.7200 7.6263 7.6263 7.9863 7.9863 9.5700 9.5700 9.7119 9.7119 k = 0.0000 0.0526 0.4054 ( 2820 PWs) bands (ev): -25.0819 -25.0819 -9.3555 -9.3555 -8.7814 -8.7814 -8.5261 -8.5261 -8.4437 -8.4437 -4.3265 -4.3265 -0.4083 -0.4083 -0.1757 -0.1757 0.9221 0.9221 1.2542 1.2542 1.4103 1.4103 2.0214 2.0214 3.4076 3.4076 3.7161 3.7161 7.6105 7.6105 7.9770 7.9770 9.5834 9.5834 9.7299 9.7299 k = 0.0000 0.0658 0.4054 ( 2818 PWs) bands (ev): -25.0818 -25.0818 -9.3639 -9.3639 -8.7789 -8.7789 -8.5235 -8.5235 -8.4389 -8.4389 -4.3264 -4.3264 -0.4112 -0.4112 -0.1787 -0.1787 0.9209 0.9209 1.2595 1.2595 1.4156 1.4156 2.0214 2.0214 3.4021 3.4021 3.7111 3.7111 7.5882 7.5882 7.9680 7.9680 9.6000 9.6000 9.7527 9.7527 k = 0.0000 0.0789 0.4054 ( 2814 PWs) bands (ev): -25.0817 -25.0817 -9.3739 -9.3739 -8.7761 -8.7761 -8.5207 -8.5207 -8.4328 -8.4328 -4.3263 -4.3263 -0.4147 -0.4147 -0.1822 -0.1822 0.9195 0.9195 1.2660 1.2660 1.4220 1.4220 2.0214 2.0214 3.3955 3.3955 3.7052 3.7052 7.5583 7.5583 7.9609 7.9609 9.6194 9.6194 9.7803 9.7803 k = 0.0000 0.0921 0.4054 ( 2810 PWs) bands (ev): -25.0815 -25.0815 -9.3853 -9.3853 -8.7731 -8.7731 -8.5177 -8.5177 -8.4254 -8.4254 -4.3261 -4.3261 -0.4189 -0.4189 -0.1863 -0.1863 0.9179 0.9179 1.2736 1.2736 1.4294 1.4294 2.0214 2.0214 3.3877 3.3877 3.6985 3.6985 7.5202 7.5202 7.9567 7.9567 9.6412 9.6412 9.8125 9.8125 k = 0.0000 0.1053 0.4054 ( 2808 PWs) bands (ev): -25.0813 -25.0813 -9.3978 -9.3978 -8.7699 -8.7699 -8.5147 -8.5147 -8.4167 -8.4167 -4.3259 -4.3259 -0.4238 -0.4238 -0.1908 -0.1908 0.9161 0.9161 1.2824 1.2824 1.4376 1.4376 2.0216 2.0216 3.3789 3.3789 3.6909 3.6909 7.4741 7.4741 7.9562 7.9562 9.6650 9.6650 9.8492 9.8492 k = 0.0000 0.1184 0.4054 ( 2808 PWs) bands (ev): -25.0811 -25.0811 -9.4113 -9.4113 -8.7666 -8.7666 -8.5118 -8.5118 -8.4068 -8.4068 -4.3257 -4.3257 -0.4294 -0.4294 -0.1958 -0.1958 0.9141 0.9141 1.2924 1.2924 1.4467 1.4467 2.0220 2.0220 3.3692 3.3692 3.6828 3.6828 7.4203 7.4203 7.9594 7.9594 9.6906 9.6906 9.8902 9.8902 k = 0.0000 0.1316 0.4054 ( 2808 PWs) bands (ev): -25.0808 -25.0808 -9.4256 -9.4256 -8.7632 -8.7632 -8.5090 -8.5090 -8.3958 -8.3958 -4.3255 -4.3255 -0.4357 -0.4357 -0.2012 -0.2012 0.9121 0.9121 1.3033 1.3033 1.4565 1.4565 2.0226 2.0226 3.3585 3.3585 3.6740 3.6740 7.3596 7.3596 7.9660 7.9660 9.7175 9.7175 9.9352 9.9352 k = 0.0000 0.1447 0.4054 ( 2796 PWs) bands (ev): -25.0806 -25.0806 -9.4406 -9.4406 -8.7599 -8.7599 -8.5063 -8.5063 -8.3837 -8.3837 -4.3253 -4.3253 -0.4426 -0.4426 -0.2069 -0.2069 0.9099 0.9099 1.3153 1.3153 1.4671 1.4671 2.0234 2.0234 3.3471 3.3471 3.6648 3.6648 7.2931 7.2931 7.9758 7.9758 9.7457 9.7457 9.9843 9.9843 k = 0.0000 0.1579 0.4054 ( 2790 PWs) bands (ev): -25.0803 -25.0803 -9.4560 -9.4560 -8.7567 -8.7567 -8.5038 -8.5038 -8.3707 -8.3707 -4.3251 -4.3251 -0.4501 -0.4501 -0.2128 -0.2128 0.9077 0.9077 1.3282 1.3282 1.4782 1.4782 2.0247 2.0247 3.3350 3.3350 3.6553 3.6553 7.2214 7.2214 7.9883 7.9883 9.7749 9.7749 10.0373 10.0373 k = 0.0000 0.1711 0.4054 ( 2786 PWs) bands (ev): -25.0800 -25.0800 -9.4718 -9.4718 -8.7535 -8.7535 -8.5014 -8.5014 -8.3570 -8.3570 -4.3248 -4.3248 -0.4583 -0.4583 -0.2190 -0.2190 0.9054 0.9054 1.3420 1.3420 1.4899 1.4899 2.0264 2.0264 3.3223 3.3223 3.6455 3.6455 7.1455 7.1455 8.0031 8.0031 9.8048 9.8048 10.0940 10.0940 k = 0.0000 0.1842 0.4054 ( 2788 PWs) bands (ev): -25.0797 -25.0797 -9.4878 -9.4878 -8.7504 -8.7504 -8.4991 -8.4991 -8.3428 -8.3428 -4.3246 -4.3246 -0.4671 -0.4671 -0.2252 -0.2252 0.9031 0.9031 1.3564 1.3564 1.5020 1.5020 2.0286 2.0286 3.3091 3.3091 3.6355 3.6355 7.0661 7.0661 8.0199 8.0199 9.8355 9.8355 10.1544 10.1544 k = 0.0000 0.1974 0.4054 ( 2796 PWs) bands (ev): -25.0794 -25.0794 -9.5039 -9.5039 -8.7474 -8.7474 -8.4969 -8.4969 -8.3281 -8.3281 -4.3243 -4.3243 -0.4765 -0.4765 -0.2315 -0.2315 0.9007 0.9007 1.3714 1.3714 1.5144 1.5144 2.0314 2.0314 3.2957 3.2957 3.6255 3.6255 6.9840 6.9840 8.0384 8.0384 9.8667 9.8667 10.2183 10.2183 k = 0.0000 0.2105 0.4054 ( 2796 PWs) bands (ev): -25.0791 -25.0791 -9.5200 -9.5200 -8.7446 -8.7446 -8.4947 -8.4947 -8.3131 -8.3131 -4.3241 -4.3241 -0.4864 -0.4864 -0.2378 -0.2378 0.8984 0.8984 1.3868 1.3868 1.5272 1.5272 2.0350 2.0350 3.2820 3.2820 3.6154 3.6154 6.8998 6.8998 8.0584 8.0584 9.8986 9.8986 10.2855 10.2855 k = 0.0000 0.2237 0.4054 ( 2802 PWs) bands (ev): -25.0788 -25.0788 -9.5359 -9.5359 -8.7418 -8.7418 -8.4927 -8.4927 -8.2979 -8.2979 -4.3238 -4.3238 -0.4968 -0.4968 -0.2441 -0.2441 0.8960 0.8960 1.4024 1.4024 1.5401 1.5401 2.0395 2.0395 3.2683 3.2683 3.6054 3.6054 6.8140 6.8140 8.0795 8.0795 9.9309 9.9309 10.3560 10.3560 k = 0.0000 0.2368 0.4054 ( 2802 PWs) bands (ev): -25.0785 -25.0785 -9.5516 -9.5516 -8.7392 -8.7392 -8.4907 -8.4907 -8.2827 -8.2827 -4.3236 -4.3236 -0.5075 -0.5075 -0.2502 -0.2502 0.8936 0.8936 1.4181 1.4181 1.5531 1.5531 2.0449 2.0449 3.2547 3.2547 3.5955 3.5955 6.7273 6.7273 8.1016 8.1016 9.9638 9.9638 10.4296 10.4296 k = 0.0000 0.2500 0.4054 ( 2802 PWs) bands (ev): -25.0782 -25.0782 -9.5671 -9.5671 -8.7366 -8.7366 -8.4888 -8.4888 -8.2676 -8.2676 -4.3233 -4.3233 -0.5186 -0.5186 -0.2562 -0.2562 0.8912 0.8912 1.4338 1.4338 1.5661 1.5661 2.0513 2.0513 3.2413 3.2413 3.5857 3.5857 6.6400 6.6400 8.1244 8.1244 9.9972 9.9972 10.5058 10.5058 k = 0.0000 0.2632 0.4054 ( 2802 PWs) bands (ev): -25.0778 -25.0778 -9.5821 -9.5821 -8.7342 -8.7342 -8.4870 -8.4870 -8.2527 -8.2527 -4.3230 -4.3230 -0.5299 -0.5299 -0.2620 -0.2620 0.8889 0.8889 1.4492 1.4492 1.5789 1.5789 2.0588 2.0588 3.2283 3.2283 3.5763 3.5763 6.5528 6.5528 8.1479 8.1479 10.0310 10.0310 10.5843 10.5843 k = 0.0000 0.2763 0.4054 ( 2806 PWs) bands (ev): -25.0775 -25.0775 -9.5967 -9.5967 -8.7319 -8.7319 -8.4852 -8.4852 -8.2381 -8.2381 -4.3228 -4.3228 -0.5413 -0.5413 -0.2677 -0.2677 0.8866 0.8866 1.4642 1.4642 1.5914 1.5914 2.0676 2.0676 3.2158 3.2158 3.5670 3.5670 6.4662 6.4662 8.1716 8.1716 10.0653 10.0653 10.6642 10.6642 k = 0.0000 0.2895 0.4054 ( 2806 PWs) bands (ev): -25.0772 -25.0772 -9.6107 -9.6107 -8.7297 -8.7297 -8.4835 -8.4835 -8.2238 -8.2238 -4.3225 -4.3225 -0.5528 -0.5528 -0.2731 -0.2731 0.8843 0.8843 1.4787 1.4787 1.6034 1.6034 2.0775 2.0775 3.2039 3.2039 3.5582 3.5582 6.3805 6.3805 8.1955 8.1955 10.1002 10.1002 10.7434 10.7434 k = 0.0000 0.3026 0.4054 ( 2808 PWs) bands (ev): -25.0769 -25.0769 -9.6242 -9.6242 -8.7276 -8.7276 -8.4819 -8.4819 -8.2100 -8.2100 -4.3223 -4.3223 -0.5642 -0.5642 -0.2782 -0.2782 0.8821 0.8821 1.4927 1.4927 1.6148 1.6148 2.0887 2.0887 3.1928 3.1928 3.5496 3.5496 6.2964 6.2964 8.2193 8.2193 10.1355 10.1355 10.8183 10.8184 k = 0.0000 0.3158 0.4054 ( 2800 PWs) bands (ev): -25.0766 -25.0766 -9.6370 -9.6370 -8.7257 -8.7257 -8.4803 -8.4803 -8.1968 -8.1968 -4.3221 -4.3221 -0.5754 -0.5754 -0.2831 -0.2831 0.8800 0.8800 1.5060 1.5060 1.6254 1.6254 2.1010 2.1010 3.1826 3.1826 3.5415 3.5415 6.2141 6.2141 8.2428 8.2428 10.1712 10.1712 10.8870 10.8870 k = 0.0000 0.3289 0.4054 ( 2802 PWs) bands (ev): -25.0763 -25.0763 -9.6492 -9.6492 -8.7238 -8.7238 -8.4788 -8.4788 -8.1842 -8.1842 -4.3218 -4.3218 -0.5863 -0.5863 -0.2877 -0.2877 0.8779 0.8779 1.5185 1.5185 1.6352 1.6352 2.1143 2.1143 3.1733 3.1733 3.5338 3.5338 6.1344 6.1344 8.2659 8.2659 10.2074 10.2074 10.9507 10.9507 k = 0.0000 0.3421 0.4054 ( 2802 PWs) bands (ev): -25.0760 -25.0760 -9.6606 -9.6606 -8.7221 -8.7221 -8.4774 -8.4774 -8.1722 -8.1722 -4.3216 -4.3216 -0.5969 -0.5969 -0.2921 -0.2921 0.8760 0.8760 1.5304 1.5304 1.6439 1.6439 2.1284 2.1284 3.1650 3.1650 3.5265 3.5265 6.0575 6.0575 8.2883 8.2883 10.2440 10.2440 11.0105 11.0105 k = 0.0000 0.3553 0.4054 ( 2816 PWs) bands (ev): -25.0758 -25.0758 -9.6713 -9.6713 -8.7205 -8.7205 -8.4761 -8.4761 -8.1611 -8.1611 -4.3214 -4.3214 -0.6071 -0.6071 -0.2961 -0.2961 0.8741 0.8741 1.5414 1.5414 1.6517 1.6517 2.1430 2.1430 3.1578 3.1578 3.5197 3.5197 5.9841 5.9841 8.3098 8.3098 10.2809 10.2809 11.0667 11.0667 k = 0.0000 0.3684 0.4054 ( 2818 PWs) bands (ev): -25.0756 -25.0756 -9.6811 -9.6811 -8.7191 -8.7191 -8.4749 -8.4749 -8.1507 -8.1507 -4.3213 -4.3213 -0.6166 -0.6166 -0.2998 -0.2998 0.8724 0.8724 1.5516 1.5516 1.6585 1.6585 2.1579 2.1579 3.1517 3.1517 3.5135 3.5135 5.9147 5.9147 8.3303 8.3303 10.3181 10.3181 11.1191 11.1191 k = 0.0000 0.3816 0.4054 ( 2814 PWs) bands (ev): -25.0753 -25.0753 -9.6901 -9.6901 -8.7177 -8.7177 -8.4737 -8.4737 -8.1411 -8.1411 -4.3211 -4.3211 -0.6256 -0.6256 -0.3032 -0.3032 0.8708 0.8708 1.5610 1.5610 1.6642 1.6642 2.1727 2.1727 3.1466 3.1466 3.5078 3.5078 5.8497 5.8497 8.3496 8.3496 10.3552 10.3552 11.1676 11.1676 k = 0.0000 0.3947 0.4054 ( 2810 PWs) bands (ev): -25.0751 -25.0751 -9.6983 -9.6983 -8.7165 -8.7165 -8.4727 -8.4727 -8.1324 -8.1324 -4.3209 -4.3209 -0.6338 -0.6338 -0.3062 -0.3062 0.8693 0.8693 1.5696 1.5696 1.6691 1.6691 2.1872 2.1872 3.1426 3.1426 3.5026 3.5026 5.7897 5.7897 8.3674 8.3674 10.3922 10.3922 11.2117 11.2117 k = 0.0000 0.4079 0.4054 ( 2810 PWs) bands (ev): -25.0749 -25.0749 -9.7055 -9.7055 -8.7154 -8.7154 -8.4718 -8.4718 -8.1247 -8.1247 -4.3208 -4.3208 -0.6412 -0.6412 -0.3089 -0.3089 0.8680 0.8680 1.5772 1.5772 1.6730 1.6730 2.2008 2.2008 3.1396 3.1396 3.4980 3.4980 5.7351 5.7351 8.3836 8.3836 10.4287 10.4287 11.2512 11.2512 k = 0.0000 0.4211 0.4054 ( 2814 PWs) bands (ev): -25.0747 -25.0747 -9.7118 -9.7118 -8.7145 -8.7145 -8.4710 -8.4710 -8.1179 -8.1179 -4.3207 -4.3207 -0.6478 -0.6478 -0.3113 -0.3113 0.8668 0.8668 1.5840 1.5840 1.6762 1.6762 2.2134 2.2134 3.1374 3.1374 3.4939 3.4939 5.6866 5.6866 8.3980 8.3980 10.4642 10.4642 11.2848 11.2848 k = 0.0000 0.4342 0.4054 ( 2812 PWs) bands (ev): -25.0746 -25.0746 -9.7172 -9.7172 -8.7137 -8.7137 -8.4703 -8.4703 -8.1122 -8.1122 -4.3206 -4.3206 -0.6535 -0.6535 -0.3133 -0.3133 0.8658 0.8658 1.5898 1.5898 1.6786 1.6786 2.2246 2.2246 3.1359 3.1359 3.4905 3.4905 5.6446 5.6446 8.4104 8.4104 10.4980 10.4980 11.2720 11.2720 k = 0.0000 0.4474 0.4054 ( 2812 PWs) bands (ev): -25.0745 -25.0745 -9.7216 -9.7216 -8.7130 -8.7130 -8.4697 -8.4697 -8.1074 -8.1074 -4.3205 -4.3205 -0.6582 -0.6582 -0.3149 -0.3149 0.8650 0.8650 1.5947 1.5947 1.6805 1.6805 2.2341 2.2341 3.1350 3.1350 3.4877 3.4877 5.6095 5.6095 8.4208 8.4208 10.5291 10.5291 11.2297 11.2297 k = 0.0000 0.4605 0.4054 ( 2808 PWs) bands (ev): -25.0744 -25.0744 -9.7251 -9.7251 -8.7125 -8.7125 -8.4692 -8.4692 -8.1036 -8.1036 -4.3204 -4.3204 -0.6619 -0.6619 -0.3162 -0.3162 0.8644 0.8644 1.5986 1.5986 1.6818 1.6818 2.2417 2.2417 3.1345 3.1345 3.4855 3.4855 5.5818 5.5818 8.4290 8.4290 10.5562 10.5562 11.1933 11.1933 k = 0.0000 0.4737 0.4054 ( 2824 PWs) bands (ev): -25.0744 -25.0744 -9.7276 -9.7276 -8.7122 -8.7122 -8.4689 -8.4689 -8.1010 -8.1010 -4.3204 -4.3204 -0.6646 -0.6646 -0.3171 -0.3171 0.8639 0.8639 1.6013 1.6013 1.6827 1.6827 2.2473 2.2473 3.1342 3.1342 3.4839 3.4839 5.5617 5.5617 8.4350 8.4350 10.5776 10.5776 11.1651 11.1651 k = 0.0000 0.4868 0.4054 ( 2820 PWs) bands (ev): -25.0743 -25.0743 -9.7291 -9.7291 -8.7119 -8.7119 -8.4688 -8.4688 -8.0994 -8.0994 -4.3204 -4.3204 -0.6662 -0.6662 -0.3177 -0.3177 0.8636 0.8636 1.6030 1.6030 1.6832 1.6832 2.2507 2.2507 3.1341 3.1341 3.4829 3.4829 5.5495 5.5495 8.4386 8.4386 10.5915 10.5915 11.1472 11.1472 k = 0.0000 0.5000 0.4054 ( 2824 PWs) bands (ev): -25.0743 -25.0743 -9.7296 -9.7296 -8.7118 -8.7118 -8.4687 -8.4687 -8.0988 -8.0988 -4.3204 -4.3204 -0.6667 -0.6667 -0.3179 -0.3179 0.8635 0.8635 1.6035 1.6035 1.6833 1.6833 2.2518 2.2518 3.1340 3.1340 3.4826 3.4826 5.5455 5.5455 8.4397 8.4397 10.5964 10.5964 11.1410 11.1410 k = 0.0000 0.5000 0.4054 ( 2824 PWs) bands (ev): -25.0743 -25.0743 -9.7296 -9.7296 -8.7118 -8.7118 -8.4687 -8.4687 -8.0988 -8.0988 -4.3204 -4.3204 -0.6667 -0.6667 -0.3179 -0.3179 0.8635 0.8635 1.6035 1.6035 1.6833 1.6833 2.2518 2.2518 3.1340 3.1340 3.4826 3.4826 5.5455 5.5455 8.4397 8.4397 10.5964 10.5964 11.1410 11.1410 k = 0.0132 0.5000 0.4054 ( 2816 PWs) bands (ev): -25.0743 -25.0743 -9.7291 -9.7291 -8.7119 -8.7119 -8.4689 -8.4689 -8.0995 -8.0995 -4.3202 -4.3202 -0.6664 -0.6664 -0.3179 -0.3179 0.8637 0.8637 1.6036 1.6036 1.6841 1.6841 2.2518 2.2518 3.1344 3.1344 3.4827 3.4827 5.5459 5.5459 8.4336 8.4336 10.5985 10.5985 11.1397 11.1397 k = 0.0263 0.5000 0.4054 ( 2812 PWs) bands (ev): -25.0742 -25.0742 -9.7275 -9.7275 -8.7120 -8.7120 -8.4696 -8.4696 -8.1015 -8.1015 -4.3199 -4.3199 -0.6655 -0.6655 -0.3181 -0.3181 0.8642 0.8642 1.6038 1.6038 1.6866 1.6866 2.2517 2.2517 3.1354 3.1354 3.4828 3.4828 5.5473 5.5473 8.4154 8.4154 10.6046 10.6046 11.1359 11.1359 k = 0.0395 0.5000 0.4054 ( 2816 PWs) bands (ev): -25.0742 -25.0742 -9.7249 -9.7249 -8.7123 -8.7123 -8.4707 -8.4707 -8.1047 -8.1047 -4.3194 -4.3194 -0.6639 -0.6639 -0.3185 -0.3185 0.8651 0.8651 1.6042 1.6042 1.6905 1.6905 2.2516 2.2516 3.1371 3.1371 3.4830 3.4830 5.5495 5.5495 8.3855 8.3855 10.6144 10.6144 11.1296 11.1296 k = 0.0526 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0740 -25.0740 -9.7214 -9.7214 -8.7126 -8.7126 -8.4722 -8.4722 -8.1093 -8.1093 -4.3187 -4.3187 -0.6617 -0.6617 -0.3189 -0.3189 0.8664 0.8664 1.6047 1.6047 1.6961 1.6961 2.2515 2.2515 3.1395 3.1395 3.4833 3.4833 5.5525 5.5525 8.3448 8.3448 10.6276 10.6276 11.1211 11.1211 k = 0.0658 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0739 -25.0739 -9.7168 -9.7168 -8.7131 -8.7131 -8.4741 -8.4741 -8.1151 -8.1151 -4.3178 -4.3178 -0.6590 -0.6590 -0.3195 -0.3195 0.8679 0.8679 1.6055 1.6055 1.7031 1.7031 2.2514 2.2514 3.1425 3.1425 3.4837 3.4837 5.5564 5.5564 8.2939 8.2939 10.6436 10.6436 11.1108 11.1108 k = 0.0789 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0738 -25.0738 -9.7112 -9.7112 -8.7137 -8.7137 -8.4765 -8.4765 -8.1222 -8.1222 -4.3167 -4.3167 -0.6557 -0.6557 -0.3202 -0.3202 0.8698 0.8698 1.6065 1.6065 1.7117 1.7117 2.2512 2.2512 3.1461 3.1461 3.4841 3.4841 5.5611 5.5611 8.2339 8.2339 10.6619 10.6619 11.0988 11.0988 k = 0.0921 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0737 -25.0737 -9.7047 -9.7047 -8.7144 -8.7144 -8.4792 -8.4792 -8.1306 -8.1306 -4.3154 -4.3154 -0.6519 -0.6519 -0.3211 -0.3211 0.8719 0.8719 1.6077 1.6077 1.7217 1.7217 2.2511 2.2511 3.1504 3.1504 3.4847 3.4847 5.5665 5.5665 8.1659 8.1659 10.6820 10.6820 11.0857 11.0857 k = 0.1053 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0735 -25.0735 -9.6971 -9.6971 -8.7153 -8.7153 -8.4822 -8.4822 -8.1401 -8.1401 -4.3139 -4.3139 -0.6476 -0.6476 -0.3220 -0.3220 0.8742 0.8742 1.6091 1.6091 1.7332 1.7332 2.2511 2.2511 3.1553 3.1553 3.4854 3.4854 5.5725 5.5725 8.0909 8.0909 10.7035 10.7035 11.0718 11.0718 k = 0.1184 0.5000 0.4054 ( 2812 PWs) bands (ev): -25.0733 -25.0733 -9.6886 -9.6886 -8.7162 -8.7162 -8.4856 -8.4856 -8.1508 -8.1508 -4.3123 -4.3123 -0.6429 -0.6429 -0.3229 -0.3229 0.8767 0.8767 1.6108 1.6108 1.7461 1.7461 2.2511 2.2511 3.1608 3.1608 3.4862 3.4862 5.5792 5.5792 8.0098 8.0098 10.7260 10.7260 11.0575 11.0575 k = 0.1316 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0731 -25.0731 -9.6791 -9.6791 -8.7174 -8.7174 -8.4891 -8.4891 -8.1626 -8.1626 -4.3105 -4.3105 -0.6378 -0.6378 -0.3240 -0.3240 0.8794 0.8794 1.6128 1.6128 1.7604 1.7604 2.2512 2.2512 3.1668 3.1668 3.4871 3.4871 5.5865 5.5865 7.9237 7.9237 10.7493 10.7493 11.0432 11.0432 k = 0.1447 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0729 -25.0729 -9.6688 -9.6688 -8.7187 -8.7187 -8.4930 -8.4930 -8.1755 -8.1755 -4.3086 -4.3086 -0.6323 -0.6323 -0.3251 -0.3251 0.8822 0.8822 1.6150 1.6150 1.7760 1.7760 2.2515 2.2515 3.1734 3.1734 3.4882 3.4882 5.5942 5.5942 7.8334 7.8334 10.7732 10.7732 11.0291 11.0291 k = 0.1579 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0726 -25.0726 -9.6575 -9.6575 -8.7202 -8.7202 -8.4970 -8.4970 -8.1894 -8.1894 -4.3066 -4.3066 -0.6266 -0.6266 -0.3262 -0.3262 0.8850 0.8850 1.6174 1.6174 1.7930 1.7930 2.2519 2.2519 3.1804 3.1804 3.4894 3.4894 5.6023 5.6023 7.7396 7.7396 10.7976 10.7976 11.0158 11.0158 k = 0.1711 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0724 -25.0724 -9.6453 -9.6453 -8.7219 -8.7219 -8.5011 -8.5011 -8.2043 -8.2043 -4.3044 -4.3044 -0.6207 -0.6207 -0.3273 -0.3273 0.8879 0.8879 1.6200 1.6200 1.8112 1.8112 2.2526 2.2526 3.1880 3.1880 3.4908 3.4908 5.6107 5.6107 7.6432 7.6432 10.8224 10.8224 11.0034 11.0034 k = 0.1842 0.5000 0.4054 ( 2796 PWs) bands (ev): -25.0721 -25.0721 -9.6323 -9.6323 -8.7238 -8.7238 -8.5054 -8.5054 -8.2200 -8.2200 -4.3022 -4.3022 -0.6147 -0.6147 -0.3284 -0.3284 0.8908 0.8908 1.6227 1.6227 1.8305 1.8305 2.2536 2.2536 3.1960 3.1960 3.4923 3.4923 5.6193 5.6193 7.5448 7.5448 10.8477 10.8477 10.9922 10.9922 k = 0.1974 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0718 -25.0718 -9.6186 -9.6186 -8.7260 -8.7260 -8.5097 -8.5097 -8.2367 -8.2367 -4.2999 -4.2999 -0.6086 -0.6086 -0.3295 -0.3295 0.8936 0.8936 1.6256 1.6256 1.8510 1.8510 2.2550 2.2550 3.2043 3.2043 3.4940 3.4940 5.6281 5.6281 7.4449 7.4449 10.8733 10.8733 10.9826 10.9826 k = 0.2105 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0716 -25.0716 -9.6040 -9.6040 -8.7284 -8.7284 -8.5140 -8.5140 -8.2541 -8.2541 -4.2975 -4.2975 -0.6024 -0.6024 -0.3305 -0.3305 0.8963 0.8963 1.6286 1.6286 1.8723 1.8723 2.2568 2.2568 3.2130 3.2130 3.4959 3.4959 5.6369 5.6369 7.3442 7.3442 10.8994 10.8994 10.9748 10.9748 k = 0.2237 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0713 -25.0713 -9.5887 -9.5887 -8.7310 -8.7310 -8.5183 -8.5183 -8.2722 -8.2722 -4.2950 -4.2950 -0.5963 -0.5963 -0.3314 -0.3314 0.8990 0.8990 1.6317 1.6317 1.8944 1.8944 2.2592 2.2592 3.2221 3.2221 3.4980 3.4980 5.6456 5.6456 7.2433 7.2433 10.9258 10.9258 10.9691 10.9691 k = 0.2368 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0710 -25.0710 -9.5728 -9.5728 -8.7339 -8.7339 -8.5225 -8.5225 -8.2908 -8.2908 -4.2925 -4.2925 -0.5903 -0.5903 -0.3322 -0.3322 0.9015 0.9015 1.6349 1.6349 1.9170 1.9170 2.2623 2.2623 3.2315 3.2315 3.5003 3.5003 5.6541 5.6541 7.1426 7.1426 10.9510 10.9510 10.9672 10.9672 k = 0.2500 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0707 -25.0707 -9.5561 -9.5561 -8.7372 -8.7372 -8.5266 -8.5266 -8.3100 -8.3100 -4.2900 -4.2900 -0.5845 -0.5845 -0.3328 -0.3328 0.9039 0.9039 1.6380 1.6380 1.9399 1.9399 2.2662 2.2662 3.2411 3.2411 3.5027 3.5027 5.6623 5.6623 7.0426 7.0426 10.9603 10.9603 10.9841 10.9841 k = 0.2632 0.5000 0.4054 ( 2812 PWs) bands (ev): -25.0704 -25.0704 -9.5390 -9.5390 -8.7407 -8.7407 -8.5306 -8.5306 -8.3296 -8.3296 -4.2875 -4.2875 -0.5789 -0.5789 -0.3334 -0.3334 0.9062 0.9062 1.6412 1.6412 1.9628 1.9628 2.2712 2.2712 3.2509 3.2509 3.5054 3.5054 5.6702 5.6702 6.9438 6.9438 10.9617 10.9617 11.0118 11.0118 k = 0.2763 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0701 -25.0701 -9.5212 -9.5212 -8.7445 -8.7445 -8.5344 -8.5344 -8.3495 -8.3495 -4.2850 -4.2850 -0.5735 -0.5735 -0.3337 -0.3337 0.9082 0.9082 1.6443 1.6443 1.9852 1.9852 2.2774 2.2774 3.2610 3.2610 3.5082 3.5082 5.6775 5.6775 6.8468 6.8468 10.9648 10.9648 11.0410 11.0410 k = 0.2895 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0698 -25.0698 -9.5031 -9.5031 -8.7487 -8.7487 -8.5380 -8.5380 -8.3695 -8.3695 -4.2826 -4.2826 -0.5685 -0.5685 -0.3339 -0.3339 0.9101 0.9101 1.6474 1.6474 2.0068 2.0068 2.2849 2.2849 3.2712 3.2712 3.5111 3.5111 5.6841 5.6841 6.7521 6.7521 10.9700 10.9700 11.0712 11.0712 k = 0.3026 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0695 -25.0695 -9.4846 -9.4846 -8.7531 -8.7531 -8.5415 -8.5415 -8.3895 -8.3895 -4.2802 -4.2802 -0.5637 -0.5637 -0.3339 -0.3339 0.9119 0.9119 1.6504 1.6504 2.0272 2.0272 2.2941 2.2941 3.2815 3.2815 3.5142 3.5142 5.6899 5.6899 6.6601 6.6601 10.9775 10.9775 11.1023 11.1023 k = 0.3158 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0693 -25.0693 -9.4658 -9.4658 -8.7580 -8.7580 -8.5447 -8.5447 -8.4093 -8.4093 -4.2779 -4.2779 -0.5594 -0.5594 -0.3337 -0.3337 0.9135 0.9135 1.6534 1.6534 2.0461 2.0461 2.3050 2.3050 3.2919 3.2919 3.5173 3.5173 5.6947 5.6947 6.5715 6.5715 10.9873 10.9873 11.1343 11.1343 k = 0.3289 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0690 -25.0690 -9.4468 -9.4468 -8.7632 -8.7632 -8.5477 -8.5477 -8.4289 -8.4289 -4.2756 -4.2756 -0.5554 -0.5554 -0.3334 -0.3334 0.9149 0.9149 1.6562 1.6562 2.0630 2.0630 2.3177 2.3177 3.3023 3.3023 3.5205 3.5205 5.6983 5.6983 6.4868 6.4868 10.9992 10.9992 11.1672 11.1672 k = 0.3421 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0688 -25.0688 -9.4279 -9.4279 -8.7687 -8.7687 -8.5504 -8.5504 -8.4480 -8.4480 -4.2735 -4.2735 -0.5518 -0.5518 -0.3329 -0.3329 0.9161 0.9161 1.6589 1.6589 2.0779 2.0779 2.3321 2.3321 3.3127 3.3127 3.5238 3.5238 5.7004 5.7004 6.4067 6.4067 11.0132 11.0132 11.2008 11.2008 k = 0.3553 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0685 -25.0685 -9.4090 -9.4090 -8.7746 -8.7746 -8.5529 -8.5529 -8.4664 -8.4664 -4.2715 -4.2715 -0.5485 -0.5485 -0.3323 -0.3323 0.9172 0.9172 1.6614 1.6614 2.0906 2.0906 2.3479 2.3479 3.3231 3.3231 3.5270 3.5270 5.7009 5.7009 6.3319 6.3319 11.0291 11.0291 11.2352 11.2352 k = 0.3684 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0683 -25.0683 -9.3904 -9.3904 -8.7808 -8.7808 -8.5553 -8.5553 -8.4839 -8.4839 -4.2695 -4.2695 -0.5457 -0.5457 -0.3316 -0.3316 0.9182 0.9182 1.6638 1.6638 2.1013 2.1013 2.3648 2.3648 3.3332 3.3332 3.5302 3.5302 5.6993 5.6993 6.2632 6.2632 11.0465 11.0465 11.2703 11.2703 k = 0.3816 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0681 -25.0681 -9.3722 -9.3722 -8.7872 -8.7872 -8.5574 -8.5574 -8.5003 -8.5003 -4.2678 -4.2678 -0.5432 -0.5432 -0.3308 -0.3308 0.9190 0.9190 1.6659 1.6659 2.1102 2.1102 2.3821 2.3821 3.3431 3.3431 3.5332 3.5332 5.6954 5.6954 6.2013 6.2013 11.0652 11.0652 11.3057 11.3057 k = 0.3947 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0679 -25.0679 -9.3547 -9.3547 -8.7939 -8.7939 -8.5594 -8.5594 -8.5154 -8.5154 -4.2662 -4.2662 -0.5411 -0.5411 -0.3300 -0.3300 0.9197 0.9197 1.6679 1.6679 2.1174 2.1174 2.3994 2.3994 3.3527 3.3527 3.5361 3.5361 5.6891 5.6891 6.1469 6.1469 11.0847 11.0847 11.3414 11.3414 k = 0.4079 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0677 -25.0677 -9.3382 -9.3382 -8.8007 -8.8007 -8.5614 -8.5614 -8.5289 -8.5289 -4.2647 -4.2647 -0.5392 -0.5392 -0.3291 -0.3291 0.9203 0.9203 1.6697 1.6697 2.1232 2.1232 2.4161 2.4161 3.3617 3.3617 3.5388 3.5388 5.6802 5.6802 6.1005 6.1005 11.1045 11.1045 11.3769 11.3769 k = 0.4211 0.5000 0.4054 ( 2804 PWs) bands (ev): -25.0676 -25.0676 -9.3228 -9.3228 -8.8073 -8.8073 -8.5634 -8.5634 -8.5405 -8.5405 -4.2634 -4.2634 -0.5377 -0.5377 -0.3283 -0.3283 0.9208 0.9208 1.6713 1.6713 2.1278 2.1278 2.4317 2.4317 3.3701 3.3701 3.5413 3.5413 5.6692 5.6692 6.0623 6.0623 11.1241 11.1241 11.4117 11.4117 k = 0.4342 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0675 -25.0675 -9.3089 -9.3089 -8.8137 -8.8137 -8.5660 -8.5660 -8.5496 -8.5496 -4.2624 -4.2624 -0.5365 -0.5365 -0.3276 -0.3276 0.9212 0.9212 1.6726 1.6726 2.1315 2.1315 2.4457 2.4457 3.3776 3.3776 3.5434 3.5434 5.6568 5.6568 6.0321 6.0321 11.1427 11.1427 11.4449 11.4449 k = 0.4474 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0674 -25.0674 -9.2970 -9.2970 -8.8195 -8.8195 -8.5697 -8.5697 -8.5557 -8.5557 -4.2614 -4.2614 -0.5355 -0.5355 -0.3270 -0.3270 0.9216 0.9216 1.6737 1.6737 2.1343 2.1343 2.4577 2.4577 3.3841 3.3841 3.5452 3.5452 5.6441 5.6441 6.0091 6.0091 11.1596 11.1596 11.4757 11.4757 k = 0.4605 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0673 -25.0673 -9.2872 -9.2872 -8.8245 -8.8245 -8.5740 -8.5740 -8.5590 -8.5590 -4.2607 -4.2607 -0.5348 -0.5348 -0.3264 -0.3264 0.9218 0.9218 1.6746 1.6746 2.1363 2.1363 2.4673 2.4673 3.3893 3.3893 3.5467 3.5467 5.6324 5.6324 5.9926 5.9926 11.1739 11.1739 11.5026 11.5026 k = 0.4737 0.5000 0.4054 ( 2808 PWs) bands (ev): -25.0672 -25.0672 -9.2799 -9.2799 -8.8283 -8.8283 -8.5778 -8.5778 -8.5606 -8.5606 -4.2602 -4.2602 -0.5343 -0.5343 -0.3260 -0.3260 0.9220 0.9220 1.6752 1.6752 2.1377 2.1377 2.4744 2.4744 3.3932 3.3932 3.5477 3.5477 5.6230 5.6230 5.9816 5.9816 11.1848 11.1848 11.5239 11.5239 k = 0.4868 0.5000 0.4054 ( 2800 PWs) bands (ev): -25.0672 -25.0672 -9.2754 -9.2754 -8.8307 -8.8307 -8.5802 -8.5802 -8.5614 -8.5614 -4.2599 -4.2599 -0.5339 -0.5339 -0.3258 -0.3258 0.9221 0.9221 1.6756 1.6756 2.1386 2.1386 2.4788 2.4788 3.3956 3.3956 3.5484 3.5484 5.6170 5.6170 5.9753 5.9753 11.1917 11.1917 11.5377 11.5377 k = 0.5000 0.5000 0.4054 ( 2784 PWs) bands (ev): -25.0671 -25.0671 -9.2739 -9.2739 -8.8315 -8.8315 -8.5811 -8.5811 -8.5616 -8.5616 -4.2598 -4.2598 -0.5338 -0.5338 -0.3257 -0.3257 0.9221 0.9221 1.6758 1.6758 2.1388 2.1388 2.4803 2.4803 3.3964 3.3964 3.5486 3.5486 5.6149 5.6149 5.9733 5.9733 11.1940 11.1940 11.5425 11.5425 k = 0.5000 0.5000 0.4054 ( 2784 PWs) bands (ev): -25.0671 -25.0671 -9.2739 -9.2739 -8.8315 -8.8315 -8.5811 -8.5811 -8.5616 -8.5616 -4.2598 -4.2598 -0.5338 -0.5338 -0.3257 -0.3257 0.9221 0.9221 1.6758 1.6758 2.1388 2.1388 2.4803 2.4803 3.3964 3.3964 3.5486 3.5486 5.6149 5.6149 5.9733 5.9733 11.1940 11.1940 11.5425 11.5425 k = 0.4907 0.4907 0.4054 ( 2800 PWs) bands (ev): -25.0671 -25.0671 -9.2754 -9.2754 -8.8307 -8.8307 -8.5802 -8.5802 -8.5614 -8.5614 -4.2599 -4.2599 -0.5339 -0.5339 -0.3258 -0.3258 0.9221 0.9221 1.6756 1.6756 2.1386 2.1386 2.4788 2.4788 3.3956 3.3956 3.5484 3.5484 5.6170 5.6170 5.9753 5.9753 11.1917 11.1917 11.5378 11.5378 k = 0.4815 0.4815 0.4054 ( 2804 PWs) bands (ev): -25.0672 -25.0672 -9.2798 -9.2798 -8.8284 -8.8284 -8.5778 -8.5778 -8.5606 -8.5606 -4.2602 -4.2602 -0.5342 -0.5342 -0.3260 -0.3260 0.9220 0.9220 1.6753 1.6753 2.1378 2.1378 2.4745 2.4745 3.3932 3.3932 3.5478 3.5478 5.6232 5.6232 5.9813 5.9813 11.1844 11.1844 11.5252 11.5252 k = 0.4722 0.4722 0.4054 ( 2808 PWs) bands (ev): -25.0673 -25.0673 -9.2870 -9.2870 -8.8247 -8.8247 -8.5743 -8.5743 -8.5587 -8.5587 -4.2607 -4.2607 -0.5347 -0.5347 -0.3264 -0.3264 0.9218 0.9218 1.6746 1.6746 2.1364 2.1364 2.4673 2.4673 3.3893 3.3893 3.5467 3.5467 5.6336 5.6336 5.9913 5.9913 11.1719 11.1719 11.5082 11.5082 k = 0.4630 0.4630 0.4054 ( 2808 PWs) bands (ev): -25.0674 -25.0674 -9.2965 -9.2965 -8.8199 -8.8199 -8.5707 -8.5707 -8.5548 -8.5548 -4.2614 -4.2614 -0.5354 -0.5354 -0.3269 -0.3269 0.9216 0.9216 1.6737 1.6737 2.1346 2.1346 2.4573 2.4573 3.3839 3.3839 3.5454 3.5454 5.6479 5.6479 6.0052 6.0052 11.1535 11.1535 11.4906 11.4906 k = 0.4537 0.4537 0.4054 ( 2804 PWs) bands (ev): -25.0675 -25.0675 -9.3080 -9.3080 -8.8145 -8.8145 -8.5681 -8.5681 -8.5478 -8.5478 -4.2623 -4.2623 -0.5363 -0.5363 -0.3275 -0.3275 0.9213 0.9213 1.6726 1.6726 2.1323 2.1323 2.4446 2.4446 3.3772 3.3772 3.5438 3.5438 5.6660 5.6660 6.0230 6.0230 11.1292 11.1292 11.4755 11.4755 k = 0.4444 0.4444 0.4054 ( 2804 PWs) bands (ev): -25.0676 -25.0676 -9.3212 -9.3212 -8.8087 -8.8087 -8.5665 -8.5665 -8.5380 -8.5380 -4.2634 -4.2634 -0.5374 -0.5374 -0.3282 -0.3282 0.9209 0.9209 1.6712 1.6712 2.1295 2.1295 2.4293 2.4293 3.3693 3.3693 3.5419 3.5419 5.6877 5.6877 6.0446 6.0446 11.0995 11.0995 11.4646 11.4646 k = 0.4352 0.4352 0.4054 ( 2804 PWs) bands (ev): -25.0677 -25.0677 -9.3356 -9.3356 -8.8028 -8.8028 -8.5654 -8.5654 -8.5258 -8.5258 -4.2647 -4.2647 -0.5387 -0.5387 -0.3289 -0.3289 0.9205 0.9205 1.6695 1.6695 2.1263 2.1263 2.4115 2.4115 3.3604 3.3604 3.5399 3.5399 5.7128 5.7128 6.0699 6.0699 11.0654 11.0654 11.4585 11.4585 k = 0.4259 0.4259 0.4054 ( 2808 PWs) bands (ev): -25.0679 -25.0679 -9.3509 -9.3509 -8.7970 -8.7970 -8.5645 -8.5645 -8.5118 -8.5118 -4.2661 -4.2661 -0.5402 -0.5402 -0.3295 -0.3295 0.9200 0.9200 1.6676 1.6676 2.1227 2.1227 2.3912 2.3912 3.3505 3.3505 3.5379 3.5379 5.7411 5.7411 6.0988 6.0988 11.0282 11.0282 11.4570 11.4570 k = 0.4167 0.4167 0.4054 ( 2812 PWs) bands (ev): -25.0681 -25.0681 -9.3667 -9.3667 -8.7916 -8.7916 -8.5637 -8.5637 -8.4963 -8.4963 -4.2677 -4.2677 -0.5418 -0.5418 -0.3301 -0.3301 0.9195 0.9195 1.6653 1.6653 2.1187 2.1187 2.3688 2.3688 3.3400 3.3400 3.5359 3.5359 5.7722 5.7722 6.1311 6.1311 10.9893 10.9893 11.4595 11.4595 k = 0.4074 0.4074 0.4054 ( 2810 PWs) bands (ev): -25.0683 -25.0683 -9.3828 -9.3828 -8.7865 -8.7865 -8.5629 -8.5629 -8.4797 -8.4797 -4.2694 -4.2694 -0.5436 -0.5436 -0.3306 -0.3306 0.9189 0.9189 1.6628 1.6628 2.1145 2.1145 2.3443 2.3443 3.3289 3.3289 3.5339 3.5339 5.8061 5.8061 6.1666 6.1666 10.9496 10.9496 11.4654 11.4654 k = 0.3981 0.3981 0.4054 ( 2822 PWs) bands (ev): -25.0686 -25.0686 -9.3989 -9.3989 -8.7818 -8.7818 -8.5621 -8.5621 -8.4622 -8.4622 -4.2712 -4.2712 -0.5455 -0.5455 -0.3309 -0.3309 0.9182 0.9182 1.6599 1.6599 2.1099 2.1099 2.3178 2.3178 3.3175 3.3175 3.5321 3.5321 5.8425 5.8425 6.2051 6.2051 10.9099 10.9099 11.4743 11.4743 k = 0.3889 0.3889 0.4054 ( 2822 PWs) bands (ev): -25.0689 -25.0689 -9.4149 -9.4149 -8.7774 -8.7774 -8.5613 -8.5613 -8.4443 -8.4443 -4.2732 -4.2732 -0.5475 -0.5475 -0.3311 -0.3311 0.9175 0.9175 1.6568 1.6568 2.1051 2.1051 2.2897 2.2897 3.3060 3.3060 3.5305 3.5305 5.8812 5.8812 6.2465 6.2465 10.8709 10.8709 11.4855 11.4855 k = 0.3796 0.3796 0.4054 ( 2814 PWs) bands (ev): -25.0691 -25.0691 -9.4304 -9.4304 -8.7735 -8.7735 -8.5604 -8.5604 -8.4260 -8.4260 -4.2752 -4.2752 -0.5495 -0.5495 -0.3310 -0.3310 0.9168 0.9168 1.6533 1.6533 2.1000 2.1000 2.2602 2.2602 3.2944 3.2944 3.5292 3.5292 5.9220 5.9220 6.2904 6.2904 10.8330 10.8330 11.4982 11.4982 k = 0.3704 0.3704 0.4054 ( 2810 PWs) bands (ev): -25.0694 -25.0694 -9.4454 -9.4454 -8.7699 -8.7699 -8.5594 -8.5594 -8.4077 -8.4077 -4.2774 -4.2774 -0.5515 -0.5515 -0.3306 -0.3306 0.9160 0.9160 1.6495 1.6495 2.0948 2.0948 2.2293 2.2293 3.2831 3.2831 3.5282 3.5282 5.9648 5.9648 6.3366 6.3366 10.7963 10.7963 11.5099 11.5099 k = 0.3611 0.3611 0.4054 ( 2794 PWs) bands (ev): -25.0697 -25.0697 -9.4598 -9.4598 -8.7667 -8.7667 -8.5584 -8.5584 -8.3897 -8.3897 -4.2796 -4.2796 -0.5534 -0.5534 -0.3300 -0.3300 0.9151 0.9151 1.6453 1.6453 2.0892 2.0892 2.1975 2.1975 3.2722 3.2722 3.5275 3.5275 6.0094 6.0094 6.3849 6.3849 10.7610 10.7610 11.5111 11.5111 k = 0.3519 0.3519 0.4054 ( 2794 PWs) bands (ev): -25.0700 -25.0700 -9.4734 -9.4734 -8.7638 -8.7638 -8.5573 -8.5573 -8.3721 -8.3721 -4.2819 -4.2819 -0.5552 -0.5552 -0.3290 -0.3290 0.9142 0.9142 1.6408 1.6408 2.0833 2.0833 2.1652 2.1652 3.2616 3.2616 3.5272 3.5272 6.0557 6.0557 6.4350 6.4350 10.7271 10.7271 11.4888 11.4888 k = 0.3426 0.3426 0.4054 ( 2794 PWs) bands (ev): -25.0704 -25.0704 -9.4861 -9.4861 -8.7611 -8.7611 -8.5561 -8.5561 -8.3552 -8.3552 -4.2842 -4.2842 -0.5569 -0.5569 -0.3277 -0.3277 0.9133 0.9133 1.6359 1.6359 2.0763 2.0763 2.1330 2.1330 3.2518 3.2518 3.5273 3.5273 6.1035 6.1035 6.4867 6.4867 10.6946 10.6946 11.4530 11.4530 k = 0.3333 0.3333 0.4054 ( 2798 PWs) bands (ev): -25.0707 -25.0707 -9.4979 -9.4979 -8.7588 -8.7588 -8.5549 -8.5549 -8.3392 -8.3392 -4.2866 -4.2866 -0.5582 -0.5582 -0.3261 -0.3261 0.9124 0.9124 1.6305 1.6305 2.0662 2.0662 2.1036 2.1036 3.2426 3.2426 3.5278 3.5278 6.1528 6.1528 6.5396 6.5396 10.6631 10.6631 11.4114 11.4114 k = 0.3241 0.3241 0.4054 ( 2798 PWs) bands (ev): -25.0711 -25.0711 -9.5087 -9.5087 -8.7567 -8.7567 -8.5536 -8.5536 -8.3241 -8.3241 -4.2889 -4.2889 -0.5592 -0.5592 -0.3242 -0.3242 0.9114 0.9114 1.6247 1.6247 2.0464 2.0464 2.0834 2.0834 3.2343 3.2343 3.5287 3.5287 6.2034 6.2034 6.5935 6.5935 10.6326 10.6326 11.3665 11.3665 k = 0.3148 0.3148 0.4054 ( 2798 PWs) bands (ev): -25.0715 -25.0715 -9.5184 -9.5184 -8.7548 -8.7548 -8.5522 -8.5522 -8.3102 -8.3102 -4.2913 -4.2913 -0.5599 -0.5599 -0.3219 -0.3219 0.9104 0.9104 1.6185 1.6185 2.0166 2.0166 2.0731 2.0731 3.2270 3.2270 3.5301 3.5301 6.2551 6.2551 6.6482 6.6482 10.6030 10.6030 11.3189 11.3189 k = 0.3056 0.3056 0.4054 ( 2798 PWs) bands (ev): -25.0719 -25.0719 -9.5270 -9.5270 -8.7531 -8.7531 -8.5508 -8.5508 -8.2975 -8.2975 -4.2936 -4.2936 -0.5600 -0.5600 -0.3193 -0.3193 0.9095 0.9095 1.6118 1.6118 1.9833 1.9833 2.0665 2.0665 3.2207 3.2207 3.5319 3.5319 6.3080 6.3080 6.7036 6.7036 10.5738 10.5738 11.2691 11.2691 k = 0.2963 0.2963 0.4054 ( 2800 PWs) bands (ev): -25.0723 -25.0723 -9.5345 -9.5345 -8.7516 -8.7516 -8.5493 -8.5493 -8.2862 -8.2862 -4.2959 -4.2959 -0.5597 -0.5597 -0.3163 -0.3163 0.9085 0.9085 1.6047 1.6047 1.9490 1.9490 2.0612 2.0612 3.2155 3.2155 3.5342 3.5342 6.3618 6.3618 6.7593 6.7593 10.5447 10.5447 11.2176 11.2176 k = 0.2870 0.2870 0.4054 ( 2796 PWs) bands (ev): -25.0727 -25.0727 -9.5407 -9.5407 -8.7503 -8.7503 -8.5477 -8.5477 -8.2764 -8.2764 -4.2981 -4.2981 -0.5587 -0.5587 -0.3131 -0.3131 0.9075 0.9075 1.5970 1.5970 1.9146 1.9146 2.0564 2.0564 3.2115 3.2115 3.5370 3.5370 6.4164 6.4164 6.8152 6.8152 10.5157 10.5157 11.1646 11.1646 k = 0.2778 0.2778 0.4054 ( 2804 PWs) bands (ev): -25.0731 -25.0731 -9.5457 -9.5457 -8.7493 -8.7493 -8.5461 -8.5461 -8.2682 -8.2682 -4.3004 -4.3004 -0.5572 -0.5572 -0.3095 -0.3095 0.9066 0.9066 1.5888 1.5888 1.8805 1.8805 2.0521 2.0521 3.2087 3.2087 3.5402 3.5402 6.4717 6.4717 6.8711 6.8711 10.4861 10.4861 11.1104 11.1104 k = 0.2685 0.2685 0.4054 ( 2800 PWs) bands (ev): -25.0736 -25.0736 -9.5495 -9.5495 -8.7484 -8.7484 -8.5444 -8.5444 -8.2615 -8.2615 -4.3025 -4.3025 -0.5550 -0.5550 -0.3057 -0.3057 0.9057 0.9057 1.5799 1.5799 1.8469 1.8469 2.0481 2.0481 3.2072 3.2072 3.5438 3.5438 6.5276 6.5276 6.9268 6.9268 10.4560 10.4560 11.0551 11.0551 k = 0.2593 0.2593 0.4054 ( 2804 PWs) bands (ev): -25.0740 -25.0740 -9.5521 -9.5521 -8.7477 -8.7477 -8.5427 -8.5427 -8.2565 -8.2565 -4.3045 -4.3045 -0.5522 -0.5522 -0.3016 -0.3016 0.9049 0.9049 1.5705 1.5705 1.8140 1.8140 2.0445 2.0445 3.2069 3.2069 3.5479 3.5479 6.5838 6.5838 6.9823 6.9823 10.4250 10.4250 10.9989 10.9989 k = 0.2500 0.2500 0.4054 ( 2804 PWs) bands (ev): -25.0744 -25.0744 -9.5534 -9.5534 -8.7472 -8.7472 -8.5409 -8.5409 -8.2531 -8.2531 -4.3065 -4.3065 -0.5486 -0.5486 -0.2972 -0.2972 0.9042 0.9042 1.5603 1.5603 1.7820 1.7820 2.0412 2.0412 3.2080 3.2080 3.5524 3.5524 6.6403 6.6403 7.0374 7.0374 10.3929 10.3929 10.9421 10.9421 k = 0.2407 0.2407 0.4054 ( 2804 PWs) bands (ev): -25.0749 -25.0749 -9.5535 -9.5535 -8.7468 -8.7468 -8.5391 -8.5391 -8.2514 -8.2514 -4.3084 -4.3084 -0.5444 -0.5444 -0.2926 -0.2926 0.9035 0.9035 1.5494 1.5494 1.7512 1.7512 2.0381 2.0381 3.2102 3.2102 3.5573 3.5573 6.6969 6.6969 7.0920 7.0920 10.3595 10.3595 10.8846 10.8846 k = 0.2315 0.2315 0.4054 ( 2806 PWs) bands (ev): -25.0753 -25.0753 -9.5524 -9.5524 -8.7467 -8.7467 -8.5373 -8.5373 -8.2514 -8.2514 -4.3102 -4.3102 -0.5396 -0.5396 -0.2877 -0.2877 0.9030 0.9030 1.5376 1.5376 1.7216 1.7216 2.0353 2.0353 3.2138 3.2138 3.5626 3.5626 6.7534 6.7534 7.1459 7.1459 10.3248 10.3248 10.8268 10.8268 k = 0.2222 0.2222 0.4054 ( 2806 PWs) bands (ev): -25.0758 -25.0758 -9.5500 -9.5500 -8.7467 -8.7467 -8.5354 -8.5354 -8.2530 -8.2530 -4.3119 -4.3119 -0.5342 -0.5342 -0.2826 -0.2826 0.9026 0.9026 1.5250 1.5250 1.6935 1.6935 2.0329 2.0329 3.2185 3.2185 3.5683 3.5683 6.8097 6.8097 7.1991 7.1991 10.2888 10.2888 10.7687 10.7687 k = 0.2130 0.2130 0.4054 ( 2810 PWs) bands (ev): -25.0762 -25.0762 -9.5465 -9.5465 -8.7469 -8.7469 -8.5336 -8.5336 -8.2561 -8.2561 -4.3135 -4.3135 -0.5282 -0.5282 -0.2773 -0.2773 0.9023 0.9023 1.5113 1.5113 1.6670 1.6670 2.0307 2.0307 3.2245 3.2245 3.5744 3.5744 6.8655 6.8655 7.2516 7.2516 10.2514 10.2514 10.7104 10.7104 k = 0.2037 0.2037 0.4054 ( 2814 PWs) bands (ev): -25.0766 -25.0766 -9.5418 -9.5418 -8.7473 -8.7473 -8.5317 -8.5317 -8.2609 -8.2609 -4.3150 -4.3150 -0.5217 -0.5217 -0.2718 -0.2718 0.9021 0.9021 1.4967 1.4967 1.6423 1.6423 2.0287 2.0287 3.2315 3.2315 3.5809 3.5809 6.9207 6.9207 7.3032 7.3032 10.2128 10.2128 10.6521 10.6521 k = 0.1944 0.1944 0.4054 ( 2818 PWs) bands (ev): -25.0771 -25.0771 -9.5360 -9.5360 -8.7479 -8.7479 -8.5299 -8.5299 -8.2671 -8.2671 -4.3164 -4.3164 -0.5148 -0.5148 -0.2662 -0.2662 0.9021 0.9021 1.4812 1.4812 1.6194 1.6194 2.0270 2.0270 3.2395 3.2395 3.5877 3.5877 6.9752 6.9752 7.3539 7.3539 10.1732 10.1732 10.5940 10.5940 k = 0.1852 0.1852 0.4054 ( 2818 PWs) bands (ev): -25.0775 -25.0775 -9.5291 -9.5291 -8.7486 -8.7486 -8.5282 -8.5282 -8.2746 -8.2746 -4.3177 -4.3177 -0.5075 -0.5075 -0.2604 -0.2604 0.9023 0.9023 1.4648 1.4648 1.5983 1.5983 2.0256 2.0256 3.2485 3.2485 3.5949 3.5949 7.0287 7.0287 7.4036 7.4036 10.1327 10.1327 10.5361 10.5361 k = 0.1759 0.1759 0.4054 ( 2822 PWs) bands (ev): -25.0779 -25.0779 -9.5212 -9.5212 -8.7495 -8.7495 -8.5264 -8.5264 -8.2834 -8.2834 -4.3188 -4.3188 -0.4999 -0.4999 -0.2544 -0.2544 0.9027 0.9027 1.4477 1.4477 1.5790 1.5790 2.0244 2.0244 3.2582 3.2582 3.6023 3.6023 7.0811 7.0811 7.4522 7.4522 10.0915 10.0915 10.4787 10.4787 k = 0.1667 0.1667 0.4054 ( 2820 PWs) bands (ev): -25.0783 -25.0783 -9.5124 -9.5124 -8.7506 -8.7506 -8.5248 -8.5248 -8.2934 -8.2934 -4.3199 -4.3199 -0.4922 -0.4922 -0.2484 -0.2484 0.9032 0.9032 1.4302 1.4302 1.5611 1.5611 2.0234 2.0234 3.2687 3.2687 3.6101 3.6101 7.1321 7.1321 7.4997 7.4997 10.0499 10.0499 10.4219 10.4219 k = 0.1574 0.1574 0.4054 ( 2814 PWs) bands (ev): -25.0786 -25.0786 -9.5027 -9.5027 -8.7519 -8.7519 -8.5233 -8.5233 -8.3043 -8.3043 -4.3208 -4.3208 -0.4843 -0.4843 -0.2422 -0.2422 0.9039 0.9039 1.4126 1.4126 1.5447 1.5447 2.0225 2.0225 3.2797 3.2797 3.6181 3.6181 7.1816 7.1816 7.5459 7.5459 10.0081 10.0081 10.3660 10.3660 k = 0.1481 0.1481 0.4054 ( 2812 PWs) bands (ev): -25.0790 -25.0790 -9.4922 -9.4922 -8.7533 -8.7533 -8.5219 -8.5219 -8.3160 -8.3160 -4.3217 -4.3217 -0.4765 -0.4765 -0.2361 -0.2361 0.9048 0.9048 1.3951 1.3951 1.5294 1.5294 2.0219 2.0219 3.2912 3.2912 3.6263 3.6263 7.2295 7.2295 7.5908 7.5908 9.9665 9.9665 10.3110 10.3110 k = 0.1389 0.1389 0.4054 ( 2808 PWs) bands (ev): -25.0793 -25.0793 -9.4810 -9.4810 -8.7550 -8.7550 -8.5206 -8.5206 -8.3284 -8.3284 -4.3225 -4.3225 -0.4687 -0.4687 -0.2299 -0.2299 0.9059 0.9059 1.3780 1.3780 1.5152 1.5152 2.0214 2.0214 3.3029 3.3029 3.6346 3.6346 7.2754 7.2754 7.6343 7.6343 9.9253 9.9253 10.2429 10.2574 k = 0.1296 0.1296 0.4054 ( 2808 PWs) bands (ev): -25.0797 -25.0797 -9.4692 -9.4692 -8.7568 -8.7568 -8.5196 -8.5196 -8.3412 -8.3412 -4.3232 -4.3232 -0.4611 -0.4611 -0.2238 -0.2238 0.9071 0.9071 1.3615 1.3615 1.5018 1.5018 2.0211 2.0211 3.3148 3.3148 3.6431 3.6431 7.3194 7.3194 7.6762 7.6762 9.8848 9.8848 10.1742 10.1742 k = 0.1204 0.1204 0.4054 ( 2808 PWs) bands (ev): -25.0800 -25.0800 -9.4570 -9.4570 -8.7588 -8.7588 -8.5188 -8.5188 -8.3543 -8.3543 -4.3238 -4.3238 -0.4538 -0.4538 -0.2177 -0.2177 0.9085 0.9085 1.3458 1.3458 1.4892 1.4892 2.0208 2.0208 3.3266 3.3266 3.6516 3.6516 7.3612 7.3612 7.7164 7.7164 9.8453 9.8453 10.1095 10.1095 k = 0.1111 0.1111 0.4054 ( 2800 PWs) bands (ev): -25.0803 -25.0803 -9.4445 -9.4445 -8.7610 -8.7610 -8.5182 -8.5182 -8.3673 -8.3673 -4.3243 -4.3243 -0.4468 -0.4468 -0.2118 -0.2118 0.9100 0.9100 1.3310 1.3310 1.4774 1.4774 2.0207 2.0207 3.3382 3.3382 3.6602 3.6602 7.4006 7.4006 7.7547 7.7547 9.8072 9.8072 10.0490 10.1066 k = 0.1019 0.1019 0.4054 ( 2798 PWs) bands (ev): -25.0805 -25.0805 -9.4318 -9.4318 -8.7633 -8.7633 -8.5179 -8.5179 -8.3801 -8.3801 -4.3247 -4.3247 -0.4401 -0.4401 -0.2060 -0.2060 0.9116 0.9116 1.3173 1.3173 1.4662 1.4662 2.0207 2.0207 3.3495 3.3495 3.6686 3.6686 7.4375 7.4375 7.7910 7.7910 9.7707 9.7707 9.9928 9.9928 k = 0.0926 0.0926 0.4054 ( 2798 PWs) bands (ev): -25.0808 -25.0808 -9.4192 -9.4192 -8.7658 -8.7658 -8.5180 -8.5180 -8.3924 -8.3924 -4.3251 -4.3251 -0.4339 -0.4339 -0.2005 -0.2005 0.9132 0.9132 1.3046 1.3046 1.4557 1.4557 2.0207 2.0207 3.3602 3.3602 3.6768 3.6768 7.4719 7.4719 7.8251 7.8251 9.7361 9.7361 9.9411 9.9411 k = 0.0833 0.0833 0.4054 ( 2798 PWs) bands (ev): -25.0810 -25.0810 -9.4067 -9.4067 -8.7685 -8.7685 -8.5185 -8.5185 -8.4040 -8.4040 -4.3255 -4.3255 -0.4282 -0.4282 -0.1953 -0.1953 0.9149 0.9149 1.2931 1.2931 1.4460 1.4460 2.0208 2.0208 3.3704 3.3704 3.6848 3.6848 7.5034 7.5034 7.8567 7.8567 9.7036 9.7036 9.8939 9.8939 k = 0.0741 0.0741 0.4054 ( 2796 PWs) bands (ev): -25.0812 -25.0812 -9.3946 -9.3946 -8.7712 -8.7712 -8.5195 -8.5195 -8.4145 -8.4145 -4.3258 -4.3258 -0.4231 -0.4231 -0.1904 -0.1904 0.9166 0.9166 1.2829 1.2829 1.4371 1.4371 2.0209 2.0209 3.3798 3.3798 3.6923 3.6923 7.5321 7.5321 7.8857 7.8857 9.6737 9.6737 9.8514 9.8514 k = 0.0648 0.0648 0.4054 ( 2800 PWs) bands (ev): -25.0814 -25.0814 -9.3832 -9.3832 -8.7740 -8.7740 -8.5208 -8.5208 -8.4239 -8.4239 -4.3260 -4.3260 -0.4185 -0.4185 -0.1860 -0.1860 0.9182 0.9182 1.2738 1.2738 1.4290 1.4290 2.0210 2.0210 3.3883 3.3883 3.6994 3.6994 7.5578 7.5578 7.9118 7.9118 9.6465 9.6465 9.8136 9.8136 k = 0.0556 0.0556 0.4054 ( 2820 PWs) bands (ev): -25.0817 -25.0817 -9.3727 -9.3727 -8.7767 -8.7767 -8.5225 -8.5225 -8.4319 -8.4319 -4.3262 -4.3262 -0.4144 -0.4144 -0.1820 -0.1820 0.9197 0.9197 1.2660 1.2660 1.4217 1.4217 2.0211 2.0211 3.3958 3.3958 3.7057 3.7057 7.5803 7.5803 7.9350 7.9350 9.6223 9.6223 9.7807 9.7807 k = 0.0463 0.0463 0.4054 ( 2820 PWs) bands (ev): -25.0818 -25.0818 -9.3633 -9.3633 -8.7792 -8.7792 -8.5245 -8.5245 -8.4384 -8.4384 -4.3264 -4.3264 -0.4110 -0.4110 -0.1785 -0.1785 0.9210 0.9210 1.2595 1.2595 1.4155 1.4155 2.0213 2.0213 3.4023 3.4023 3.7114 3.7114 7.5996 7.5996 7.9549 7.9549 9.6013 9.6013 9.7527 9.7527 k = 0.0370 0.0370 0.4054 ( 2824 PWs) bands (ev): -25.0819 -25.0819 -9.3551 -9.3551 -8.7816 -8.7816 -8.5266 -8.5266 -8.4436 -8.4436 -4.3265 -4.3265 -0.4082 -0.4082 -0.1756 -0.1756 0.9222 0.9222 1.2541 1.2541 1.4102 1.4102 2.0214 2.0214 3.4077 3.4077 3.7162 3.7162 7.6155 7.6155 7.9715 7.9715 9.5839 9.5839 9.7297 9.7297 k = 0.0278 0.0278 0.4054 ( 2824 PWs) bands (ev): -25.0820 -25.0820 -9.3485 -9.3485 -8.7835 -8.7835 -8.5285 -8.5285 -8.4474 -8.4474 -4.3266 -4.3266 -0.4060 -0.4060 -0.1733 -0.1733 0.9231 0.9231 1.2500 1.2500 1.4060 1.4060 2.0215 2.0215 3.4120 3.4120 3.7201 3.7201 7.6280 7.6280 7.9846 7.9846 9.5701 9.5701 9.7118 9.7118 k = 0.0185 0.0185 0.4054 ( 2832 PWs) bands (ev): -25.0821 -25.0821 -9.3437 -9.3437 -8.7850 -8.7850 -8.5300 -8.5300 -8.4500 -8.4500 -4.3266 -4.3266 -0.4044 -0.4044 -0.1717 -0.1717 0.9238 0.9238 1.2471 1.2471 1.4030 1.4030 2.0216 2.0216 3.4151 3.4151 3.7229 3.7229 7.6370 7.6370 7.9940 7.9940 9.5601 9.5601 9.6990 9.6990 k = 0.0093 0.0093 0.4054 ( 2836 PWs) bands (ev): -25.0822 -25.0822 -9.3407 -9.3407 -8.7860 -8.7860 -8.5311 -8.5311 -8.4515 -8.4515 -4.3267 -4.3267 -0.4035 -0.4035 -0.1707 -0.1707 0.9243 0.9243 1.2453 1.2453 1.4012 1.4012 2.0216 2.0216 3.4169 3.4169 3.7246 3.7246 7.6424 7.6424 7.9997 7.9997 9.5541 9.5541 9.6913 9.6913 k = 0.0000 0.0000 0.4054 ( 2852 PWs) bands (ev): -25.0822 -25.0822 -9.3397 -9.3397 -8.7863 -8.7863 -8.5314 -8.5314 -8.4521 -8.4521 -4.3267 -4.3267 -0.4031 -0.4031 -0.1704 -0.1704 0.9244 0.9244 1.2447 1.2447 1.4006 1.4006 2.0217 2.0217 3.4175 3.4175 3.7251 3.7251 7.6441 7.6441 8.0015 8.0015 9.5520 9.5520 9.6887 9.6887 k = 0.0000 0.5000-0.0000 ( 2792 PWs) bands (ev): -25.0745 -25.0745 -9.8836 -9.8836 -8.7058 -8.7058 -8.4675 -8.4675 -8.1470 -8.1470 -2.7571 -2.7571 -0.8452 -0.8452 0.1942 0.1942 0.2193 0.2193 0.9433 0.9433 1.3796 1.3796 1.6519 1.6519 1.8831 1.8831 2.5247 2.5247 6.8587 6.8587 10.0299 10.0299 11.0478 11.0478 11.6196 11.6196 k = 0.0000 0.5000 0.0131 ( 2784 PWs) bands (ev): -25.0745 -25.0745 -9.8832 -9.8832 -8.7058 -8.7058 -8.4675 -8.4675 -8.1469 -8.1469 -2.7647 -2.7647 -0.8364 -0.8364 0.1889 0.1889 0.2177 0.2177 0.9478 0.9478 1.3741 1.3741 1.6634 1.6634 1.8832 1.8832 2.5247 2.5247 6.8567 6.8567 10.0291 10.0291 11.0366 11.0366 11.6190 11.6190 k = 0.0000 0.5000 0.0262 ( 2780 PWs) bands (ev): -25.0745 -25.0745 -9.8821 -9.8821 -8.7059 -8.7059 -8.4675 -8.4675 -8.1466 -8.1466 -2.7871 -2.7871 -0.8107 -0.8107 0.1736 0.1736 0.2129 0.2129 0.9601 0.9601 1.3613 1.3613 1.6947 1.6947 1.8837 1.8837 2.5246 2.5246 6.8508 6.8508 10.0268 10.0268 11.0036 11.0036 11.6168 11.6168 k = 0.0000 0.5000 0.0392 ( 2782 PWs) bands (ev): -25.0745 -25.0745 -9.8803 -9.8803 -8.7060 -8.7060 -8.4675 -8.4675 -8.1461 -8.1461 -2.8230 -2.8230 -0.7693 -0.7693 0.1499 0.1499 0.2051 0.2051 0.9774 0.9774 1.3482 1.3482 1.7401 1.7401 1.8845 1.8845 2.5246 2.5246 6.8410 6.8410 10.0232 10.0232 10.9507 10.9507 11.6130 11.6130 k = 0.0000 0.5000 0.0523 ( 2792 PWs) bands (ev): -25.0745 -25.0745 -9.8777 -9.8777 -8.7061 -8.7061 -8.4676 -8.4676 -8.1454 -8.1454 -2.8705 -2.8705 -0.7143 -0.7143 0.1196 0.1196 0.1945 0.1945 0.9950 0.9950 1.3418 1.3418 1.7949 1.7949 1.8858 1.8858 2.5246 2.5246 6.8271 6.8271 10.0186 10.0186 10.8807 10.8807 11.6073 11.6073 k = 0.0000 0.5000 0.0654 ( 2790 PWs) bands (ev): -25.0745 -25.0745 -9.8744 -9.8744 -8.7062 -8.7062 -8.4676 -8.4676 -8.1446 -8.1446 -2.9276 -2.9276 -0.6481 -0.6481 0.0851 0.0851 0.1812 0.1812 1.0084 1.0084 1.3472 1.3472 1.8561 1.8561 1.8878 1.8878 2.5246 2.5246 6.8090 6.8090 10.0138 10.0138 10.7964 10.7964 11.5993 11.5993 k = 0.0000 0.5000 0.0785 ( 2784 PWs) bands (ev): -25.0745 -25.0745 -9.8704 -9.8704 -8.7064 -8.7064 -8.4676 -8.4676 -8.1435 -8.1435 -2.9922 -2.9922 -0.5736 -0.5736 0.0484 0.0484 0.1658 0.1658 1.0142 1.0142 1.3672 1.3672 1.8899 1.8899 1.9229 1.9229 2.5248 2.5248 6.7867 6.7867 10.0090 10.0090 10.7008 10.7008 11.5885 11.5885 k = 0.0000 0.5000 0.0915 ( 2784 PWs) bands (ev): -25.0745 -25.0745 -9.8658 -9.8658 -8.7066 -8.7066 -8.4677 -8.4677 -8.1422 -8.1422 -3.0625 -3.0625 -0.4938 -0.4938 0.0116 0.0116 0.1487 0.1487 1.0124 1.0124 1.4010 1.4010 1.8936 1.8936 1.9927 1.9927 2.5251 2.5251 6.7601 6.7601 10.0049 10.0049 10.5964 10.5964 11.5744 11.5744 k = 0.0000 0.5000 0.1046 ( 2782 PWs) bands (ev): -25.0744 -25.0744 -9.8607 -9.8607 -8.7068 -8.7068 -8.4677 -8.4677 -8.1408 -8.1408 -3.1368 -3.1368 -0.4131 -0.4131 -0.0221 -0.0221 0.1309 0.1309 1.0048 1.0048 1.4453 1.4453 1.8985 1.8985 2.0657 2.0657 2.5258 2.5258 6.7290 6.7290 10.0021 10.0021 10.4857 10.4857 11.5563 11.5563 k = 0.0000 0.5000 0.1177 ( 2774 PWs) bands (ev): -25.0744 -25.0744 -9.8549 -9.8549 -8.7070 -8.7070 -8.4678 -8.4678 -8.1392 -8.1392 -3.2137 -3.2137 -0.3391 -0.3391 -0.0474 -0.0474 0.1143 0.1143 0.9940 0.9940 1.4962 1.4962 1.9056 1.9056 2.1409 2.1409 2.5271 2.5271 6.6934 6.6934 10.0007 10.0007 10.3709 10.3709 11.5335 11.5335 k = 0.0000 0.5000 0.1308 ( 2778 PWs) bands (ev): -25.0744 -25.0744 -9.8487 -9.8487 -8.7073 -8.7073 -8.4678 -8.4678 -8.1375 -8.1375 -3.2920 -3.2920 -0.2864 -0.2864 -0.0546 -0.0546 0.1033 0.1033 0.9817 0.9817 1.5499 1.5499 1.9156 1.9156 2.2177 2.2177 2.5291 2.5291 6.6534 6.6534 9.9998 9.9998 10.2550 10.2550 11.5057 11.5057 k = 0.0000 0.5000 0.1439 ( 2782 PWs) bands (ev): -25.0744 -25.0744 -9.8421 -9.8421 -8.7075 -8.7075 -8.4679 -8.4679 -8.1356 -8.1356 -3.3709 -3.3709 -0.2703 -0.2703 -0.0412 -0.0412 0.1107 0.1107 0.9690 0.9690 1.6028 1.6028 1.9301 1.9301 2.2955 2.2955 2.5325 2.5325 6.6088 6.6088 9.9937 9.9937 10.1459 10.1459 11.4724 11.4724 k = 0.0000 0.5000 0.1569 ( 2794 PWs) bands (ev): -25.0744 -25.0744 -9.8351 -9.8351 -8.7079 -8.7079 -8.4680 -8.4680 -8.1336 -8.1336 -3.4494 -3.4494 -0.2835 -0.2835 -0.0334 -0.0334 0.1550 0.1550 0.9568 0.9568 1.6514 1.6514 1.9510 1.9510 2.3730 2.3730 2.5383 2.5383 6.5600 6.5600 9.9508 9.9508 10.0767 10.0767 11.4334 11.4334 k = 0.0000 0.5000 0.1700 ( 2790 PWs) bands (ev): -25.0744 -25.0744 -9.8277 -9.8277 -8.7081 -8.7081 -8.4680 -8.4680 -8.1314 -8.1314 -3.5269 -3.5269 -0.3101 -0.3101 -0.0431 -0.0431 0.2319 0.2319 0.9454 0.9454 1.6925 1.6925 1.9798 1.9798 2.4474 2.4474 2.5497 2.5497 6.5071 6.5071 9.8511 9.8511 10.0689 10.0689 11.3892 11.3892 k = 0.0000 0.5000 0.1831 ( 2798 PWs) bands (ev): -25.0744 -25.0744 -9.8202 -9.8202 -8.7085 -8.7085 -8.4681 -8.4681 -8.1292 -8.1292 -3.6029 -3.6029 -0.3414 -0.3414 -0.0618 -0.0618 0.3242 0.3242 0.9349 0.9349 1.7241 1.7241 2.0169 2.0169 2.5067 2.5067 2.5788 2.5788 6.4502 6.4502 9.7347 9.7347 10.0836 10.0836 11.3401 11.3401 k = 0.0000 0.5000 0.1962 ( 2798 PWs) bands (ev): -25.0744 -25.0744 -9.8125 -9.8125 -8.7088 -8.7088 -8.4682 -8.4682 -8.1268 -8.1268 -3.6767 -3.6767 -0.3741 -0.3741 -0.0840 -0.0840 0.4226 0.4226 0.9254 0.9254 1.7467 1.7467 2.0603 2.0603 2.5379 2.5379 2.6394 2.6394 6.3899 6.3899 9.6157 9.6157 10.1078 10.1078 11.2870 11.2870 k = 0.0000 0.5000 0.2093 ( 2806 PWs) bands (ev): -25.0744 -25.0744 -9.8047 -9.8047 -8.7091 -8.7091 -8.4682 -8.4682 -8.1244 -8.1244 -3.7480 -3.7480 -0.4066 -0.4066 -0.1074 -0.1074 0.5232 0.5232 0.9170 0.9170 1.7618 1.7618 2.1062 2.1062 2.5595 2.5595 2.7138 2.7138 6.3265 6.3265 9.4975 9.4975 10.1389 10.1389 11.2307 11.2307 k = 0.0000 0.5000 0.2223 ( 2810 PWs) bands (ev): -25.0744 -25.0744 -9.7969 -9.7969 -8.7094 -8.7094 -8.4683 -8.4683 -8.1220 -8.1220 -3.8163 -3.8163 -0.4381 -0.4381 -0.1310 -0.1310 0.6237 0.6237 0.9097 0.9097 1.7717 1.7717 2.1504 2.1504 2.5838 2.5838 2.7908 2.7908 6.2605 6.2605 9.3815 9.3815 10.1764 10.1764 11.1721 11.1721 k = 0.0000 0.5000 0.2354 ( 2810 PWs) bands (ev): -25.0744 -25.0744 -9.7892 -9.7892 -8.7097 -8.7097 -8.4683 -8.4683 -8.1195 -8.1195 -3.8814 -3.8814 -0.4682 -0.4682 -0.1541 -0.1541 0.7224 0.7224 0.9039 0.9039 1.7777 1.7777 2.1893 2.1893 2.6146 2.6146 2.8675 2.8675 6.1925 6.1925 9.2689 9.2689 10.2198 10.2198 11.1123 11.1123 k = 0.0000 0.5000 0.2485 ( 2802 PWs) bands (ev): -25.0743 -25.0743 -9.7816 -9.7816 -8.7100 -8.7100 -8.4684 -8.4684 -8.1170 -8.1170 -3.9429 -3.9429 -0.4966 -0.4966 -0.1764 -0.1764 0.8164 0.8164 0.9015 0.9015 1.7810 1.7810 2.2206 2.2206 2.6532 2.6532 2.9429 2.9429 6.1233 6.1233 9.1604 9.1604 10.2691 10.2691 11.0524 11.0524 k = 0.0000 0.5000 0.2616 ( 2806 PWs) bands (ev): -25.0743 -25.0743 -9.7743 -9.7743 -8.7102 -8.7102 -8.4684 -8.4684 -8.1146 -8.1146 -4.0005 -4.0005 -0.5230 -0.5230 -0.1976 -0.1976 0.8767 0.8767 0.9307 0.9307 1.7821 1.7821 2.2436 2.2436 2.6991 2.6991 3.0160 3.0160 6.0535 6.0535 9.0568 9.0568 10.3239 10.3239 10.9932 10.9932 k = 0.0000 0.5000 0.2746 ( 2798 PWs) bands (ev): -25.0743 -25.0743 -9.7673 -9.7673 -8.7105 -8.7105 -8.4684 -8.4684 -8.1123 -8.1123 -4.0540 -4.0540 -0.5475 -0.5475 -0.2175 -0.2175 0.8805 0.8805 1.0135 1.0135 1.7815 1.7815 2.2589 2.2589 2.7508 2.7508 3.0862 3.0862 5.9840 5.9840 8.9588 8.9588 10.3839 10.3839 10.9359 10.9359 k = 0.0000 0.5000 0.2877 ( 2798 PWs) bands (ev): -25.0743 -25.0743 -9.7607 -9.7607 -8.7107 -8.7107 -8.4685 -8.4685 -8.1100 -8.1100 -4.1031 -4.1031 -0.5698 -0.5698 -0.2358 -0.2358 0.8781 0.8781 1.0992 1.0992 1.7794 1.7794 2.2678 2.2678 2.8058 2.8058 3.1529 3.1529 5.9158 5.9158 8.8672 8.8672 10.4487 10.4487 10.8815 10.8815 k = 0.0000 0.5000 0.3008 ( 2798 PWs) bands (ev): -25.0743 -25.0743 -9.7546 -9.7546 -8.7109 -8.7109 -8.4685 -8.4685 -8.1079 -8.1079 -4.1476 -4.1476 -0.5899 -0.5899 -0.2526 -0.2526 0.8751 0.8751 1.1814 1.1814 1.7756 1.7756 2.2719 2.2719 2.8619 2.8619 3.2155 3.2155 5.8498 5.8498 8.7827 8.7827 10.5174 10.5174 10.8316 10.8316 k = 0.0000 0.5000 0.3139 ( 2806 PWs) bands (ev): -25.0743 -25.0743 -9.7490 -9.7490 -8.7111 -8.7111 -8.4686 -8.4686 -8.1059 -8.1059 -4.1874 -4.1874 -0.6078 -0.6078 -0.2676 -0.2676 0.8724 0.8724 1.2587 1.2587 1.7701 1.7701 2.2725 2.2725 2.9167 2.9167 3.2732 3.2732 5.7872 5.7872 8.7060 8.7060 10.5877 10.5877 10.7887 10.7887 k = 0.0000 0.5000 0.3270 ( 2804 PWs) bands (ev): -25.0743 -25.0743 -9.7441 -9.7441 -8.7113 -8.7113 -8.4686 -8.4686 -8.1041 -8.1041 -4.2222 -4.2222 -0.6233 -0.6233 -0.2807 -0.2807 0.8700 0.8700 1.3307 1.3307 1.7628 1.7628 2.2705 2.2705 2.9686 2.9686 3.3253 3.3253 5.7291 5.7291 8.6378 8.6378 10.6493 10.6493 10.7634 10.7634 k = 0.0000 0.5000 0.3400 ( 2804 PWs) bands (ev): -25.0743 -25.0743 -9.7397 -9.7397 -8.7115 -8.7115 -8.4686 -8.4686 -8.1025 -8.1025 -4.2519 -4.2519 -0.6365 -0.6365 -0.2920 -0.2920 0.8680 0.8680 1.3968 1.3968 1.7534 1.7534 2.2670 2.2670 3.0156 3.0156 3.3712 3.3712 5.6769 5.6769 8.5788 8.5788 10.6661 10.6661 10.7922 10.7922 k = 0.0000 0.5000 0.3531 ( 2812 PWs) bands (ev): -25.0743 -25.0743 -9.7361 -9.7361 -8.7116 -8.7116 -8.4686 -8.4686 -8.1012 -8.1012 -4.2764 -4.2764 -0.6474 -0.6474 -0.3012 -0.3012 0.8664 0.8664 1.4565 1.4565 1.7415 1.7415 2.2628 2.2628 3.0563 3.0563 3.4100 3.4100 5.6318 5.6318 8.5295 8.5295 10.6477 10.6477 10.8648 10.8648 k = 0.0000 0.5000 0.3662 ( 2820 PWs) bands (ev): -25.0743 -25.0743 -9.7333 -9.7333 -8.7117 -8.7117 -8.4687 -8.4687 -8.1002 -8.1002 -4.2956 -4.2956 -0.6558 -0.6558 -0.3085 -0.3085 0.8651 0.8651 1.5094 1.5094 1.7269 1.7269 2.2586 2.2586 3.0894 3.0894 3.4412 3.4412 5.5950 5.5950 8.4906 8.4906 10.6266 10.6266 10.9480 10.9480 k = 0.0000 0.5000 0.3793 ( 2824 PWs) bands (ev): -25.0743 -25.0743 -9.7313 -9.7313 -8.7118 -8.7118 -8.4687 -8.4687 -8.0994 -8.0994 -4.3093 -4.3093 -0.6619 -0.6619 -0.3137 -0.3137 0.8642 0.8642 1.5543 1.5543 1.7098 1.7098 2.2550 2.2550 3.1139 3.1139 3.4640 3.4640 5.5678 5.5678 8.4625 8.4625 10.6101 10.6101 11.0318 11.0318 k = 0.0000 0.5000 0.3923 ( 2828 PWs) bands (ev): -25.0743 -25.0743 -9.7300 -9.7300 -8.7118 -8.7118 -8.4687 -8.4687 -8.0990 -8.0990 -4.3176 -4.3176 -0.6655 -0.6655 -0.3168 -0.3168 0.8637 0.8637 1.5887 1.5887 1.6925 1.6925 2.2527 2.2527 3.1290 3.1290 3.4779 3.4779 5.5511 5.5511 8.4454 8.4454 10.5998 10.5998 11.1059 11.1059 k = 0.0000 0.5000 0.4054 ( 2824 PWs) bands (ev): -25.0743 -25.0743 -9.7296 -9.7296 -8.7118 -8.7118 -8.4687 -8.4687 -8.0988 -8.0988 -4.3204 -4.3204 -0.6667 -0.6667 -0.3179 -0.3179 0.8635 0.8635 1.6035 1.6035 1.6833 1.6833 2.2518 2.2518 3.1340 3.1340 3.4826 3.4826 5.5455 5.5455 8.4397 8.4397 10.5964 10.5964 11.1410 11.1410 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4778 -9.4778 -8.8275 -8.8275 -8.5806 -8.5806 -8.5512 -8.5512 -2.7418 -2.7418 -0.7048 -0.7048 0.1506 0.1506 0.1871 0.1871 1.3197 1.3197 1.4356 1.4356 1.4814 1.4814 2.1329 2.1329 3.0232 3.0232 8.2906 8.2906 8.8062 8.8062 9.2940 9.2940 9.4218 9.4218 k = 0.5000 0.5000 0.0131 ( 2836 PWs) bands (ev): -25.0675 -25.0675 -9.4774 -9.4774 -8.8275 -8.8275 -8.5806 -8.5806 -8.5513 -8.5513 -2.7489 -2.7489 -0.6966 -0.6966 0.1478 0.1478 0.1854 0.1854 1.3052 1.3052 1.4405 1.4405 1.4995 1.4995 2.1331 2.1331 3.0230 3.0230 8.2735 8.2735 8.7811 8.7811 9.3113 9.3113 9.4449 9.4449 k = 0.5000 0.5000 0.0262 ( 2828 PWs) bands (ev): -25.0675 -25.0675 -9.4759 -9.4759 -8.8275 -8.8275 -8.5806 -8.5806 -8.5513 -8.5513 -2.7697 -2.7697 -0.6725 -0.6725 0.1397 0.1397 0.1803 0.1803 1.2733 1.2733 1.4548 1.4548 1.5421 1.5421 2.1335 2.1335 3.0226 3.0226 8.2254 8.2254 8.7148 8.7148 9.3601 9.3601 9.5029 9.5029 k = 0.5000 0.5000 0.0392 ( 2812 PWs) bands (ev): -25.0675 -25.0675 -9.4735 -9.4735 -8.8276 -8.8276 -8.5806 -8.5806 -8.5514 -8.5514 -2.8033 -2.8033 -0.6335 -0.6335 0.1268 0.1268 0.1719 0.1719 1.2367 1.2367 1.4783 1.4783 1.5965 1.5965 2.1343 2.1343 3.0218 3.0218 8.1535 8.1535 8.6237 8.6237 9.4334 9.4334 9.5720 9.5720 k = 0.5000 0.5000 0.0523 ( 2800 PWs) bands (ev): -25.0674 -25.0674 -9.4702 -9.4702 -8.8276 -8.8276 -8.5806 -8.5806 -8.5516 -8.5516 -2.8480 -2.8480 -0.5817 -0.5817 0.1100 0.1100 0.1603 0.1603 1.2005 1.2005 1.5101 1.5101 1.6572 1.6572 2.1355 2.1355 3.0207 3.0207 8.0650 8.0650 8.5191 8.5191 9.5237 9.5237 9.6268 9.6268 k = 0.5000 0.5000 0.0654 ( 2808 PWs) bands (ev): -25.0674 -25.0674 -9.4660 -9.4660 -8.8277 -8.8277 -8.5806 -8.5806 -8.5518 -8.5518 -2.9019 -2.9019 -0.5194 -0.5194 0.0906 0.0906 0.1458 0.1458 1.1664 1.1664 1.5494 1.5494 1.7221 1.7221 2.1373 2.1373 3.0193 3.0193 7.9655 7.9655 8.4070 8.4070 9.6253 9.6253 9.6631 9.6631 k = 0.5000 0.5000 0.0785 ( 2808 PWs) bands (ev): -25.0674 -25.0674 -9.4610 -9.4610 -8.8278 -8.8278 -8.5806 -8.5806 -8.5521 -8.5521 -2.9634 -2.9634 -0.4493 -0.4493 0.0703 0.0703 0.1286 0.1286 1.1351 1.1351 1.5953 1.5953 1.7900 1.7900 2.1398 2.1398 3.0176 3.0176 7.8589 7.8589 8.2906 8.2906 9.6926 9.6926 9.7346 9.7346 k = 0.5000 0.5000 0.0915 ( 2824 PWs) bands (ev): -25.0675 -25.0675 -9.4551 -9.4551 -8.8280 -8.8280 -8.5807 -8.5807 -8.5525 -8.5525 -3.0305 -3.0305 -0.3754 -0.3754 0.0518 0.0518 0.1090 0.1090 1.1068 1.1068 1.6469 1.6469 1.8598 1.8598 2.1436 2.1436 3.0157 3.0157 7.7477 7.7477 8.1718 8.1718 9.7219 9.7219 9.8490 9.8490 k = 0.5000 0.5000 0.1046 ( 2824 PWs) bands (ev): -25.0675 -25.0675 -9.4484 -9.4484 -8.8281 -8.8281 -8.5807 -8.5807 -8.5528 -8.5528 -3.1018 -3.1018 -0.3033 -0.3033 0.0401 0.0401 0.0873 0.0873 1.0815 1.0815 1.7035 1.7035 1.9299 1.9299 2.1500 2.1500 3.0136 3.0136 7.6334 7.6334 8.0515 8.0515 9.7532 9.7532 9.9668 9.9668 k = 0.5000 0.5000 0.1177 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4411 -9.4411 -8.8283 -8.8283 -8.5807 -8.5807 -8.5533 -8.5533 -3.1760 -3.1760 -0.2434 -0.2434 0.0447 0.0447 0.0640 0.0640 1.0591 1.0591 1.7640 1.7640 1.9969 1.9969 2.1619 2.1619 3.0113 3.0113 7.5174 7.5174 7.9306 7.9306 9.7874 9.7874 10.0868 10.0868 k = 0.5000 0.5000 0.1308 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4330 -9.4330 -8.8284 -8.8284 -8.5807 -8.5807 -8.5537 -8.5537 -3.2518 -3.2518 -0.2091 -0.2091 0.0394 0.0394 0.0783 0.0783 1.0394 1.0394 1.8278 1.8278 2.0527 2.0527 2.1872 2.1872 3.0091 3.0091 7.4003 7.4003 7.8095 7.8095 9.8248 9.8248 10.2082 10.2082 k = 0.5000 0.5000 0.1439 ( 2832 PWs) bands (ev): -25.0675 -25.0675 -9.4244 -9.4244 -8.8286 -8.8286 -8.5808 -8.5808 -8.5542 -8.5542 -3.3283 -3.3283 -0.2032 -0.2032 0.0138 0.0138 0.1431 0.1431 1.0221 1.0221 1.8940 1.8940 2.0875 2.0875 2.2354 2.2354 3.0069 3.0069 7.2829 7.2829 7.6885 7.6885 9.8658 9.8658 10.3304 10.3304 k = 0.5000 0.5000 0.1569 ( 2808 PWs) bands (ev): -25.0674 -25.0674 -9.4153 -9.4153 -8.8288 -8.8288 -8.5808 -8.5808 -8.5546 -8.5546 -3.4047 -3.4047 -0.2153 -0.2153 -0.0124 -0.0124 0.2283 0.2283 1.0070 1.0070 1.9619 1.9619 2.1045 2.1045 2.3030 2.3030 3.0051 3.0051 7.1656 7.1656 7.5681 7.5681 9.9102 9.9102 10.4528 10.4528 k = 0.5000 0.5000 0.1700 ( 2816 PWs) bands (ev): -25.0674 -25.0674 -9.4057 -9.4057 -8.8290 -8.8290 -8.5808 -8.5808 -8.5551 -8.5551 -3.4803 -3.4803 -0.2361 -0.2361 -0.0388 -0.0388 0.3239 0.3239 0.9938 0.9938 2.0307 2.0307 2.1132 2.1132 2.3802 2.3802 3.0038 3.0038 7.0489 7.0489 7.4484 7.4484 9.9582 9.9582 10.5749 10.5749 k = 0.5000 0.5000 0.1831 ( 2824 PWs) bands (ev): -25.0674 -25.0674 -9.3958 -9.3958 -8.8292 -8.8292 -8.5808 -8.5808 -8.5557 -8.5557 -3.5545 -3.5545 -0.2607 -0.2607 -0.0651 -0.0651 0.4246 0.4246 0.9825 0.9825 2.0994 2.0994 2.1185 2.1185 2.4619 2.4619 3.0035 3.0035 6.9330 6.9330 7.3297 7.3297 10.0098 10.0098 10.6963 10.6963 k = 0.5000 0.5000 0.1962 ( 2816 PWs) bands (ev): -25.0673 -25.0673 -9.3856 -9.3856 -8.8294 -8.8294 -8.5808 -8.5808 -8.5562 -8.5562 -3.6267 -3.6267 -0.2868 -0.2868 -0.0912 -0.0912 0.5276 0.5276 0.9727 0.9727 2.1220 2.1220 2.1671 2.1671 2.5460 2.5460 3.0046 3.0046 6.8185 6.8185 7.2125 7.2125 10.0650 10.0650 10.8166 10.8166 k = 0.5000 0.5000 0.2093 ( 2824 PWs) bands (ev): -25.0674 -25.0674 -9.3753 -9.3753 -8.8296 -8.8296 -8.5809 -8.5809 -8.5567 -8.5567 -3.6966 -3.6966 -0.3131 -0.3131 -0.1166 -0.1166 0.6313 0.6313 0.9642 0.9642 2.1247 2.1247 2.2325 2.2325 2.6313 2.6313 3.0079 3.0079 6.7056 6.7056 7.0969 7.0969 10.1236 10.1236 10.9353 10.9353 k = 0.5000 0.5000 0.2223 ( 2816 PWs) bands (ev): -25.0673 -25.0673 -9.3650 -9.3650 -8.8298 -8.8298 -8.5809 -8.5809 -8.5572 -8.5572 -3.7637 -3.7637 -0.3390 -0.3390 -0.1412 -0.1412 0.7346 0.7346 0.9570 0.9570 2.1269 2.1269 2.2942 2.2942 2.7172 2.7172 3.0141 3.0141 6.5948 6.5948 6.9834 6.9834 10.1858 10.1858 11.0520 11.0520 k = 0.5000 0.5000 0.2354 ( 2816 PWs) bands (ev): -25.0673 -25.0673 -9.3547 -9.3547 -8.8300 -8.8300 -8.5809 -8.5809 -8.5578 -8.5578 -3.8276 -3.8276 -0.3640 -0.3640 -0.1648 -0.1648 0.8365 0.8365 0.9507 0.9507 2.1287 2.1287 2.3508 2.3508 2.8029 2.8029 3.0243 3.0243 6.4864 6.4864 6.8722 6.8722 10.2513 10.2513 11.1660 11.1660 k = 0.5000 0.5000 0.2485 ( 2816 PWs) bands (ev): -25.0673 -25.0673 -9.3446 -9.3446 -8.8302 -8.8302 -8.5809 -8.5809 -8.5583 -8.5583 -3.8880 -3.8880 -0.3878 -0.3878 -0.1872 -0.1872 0.9362 0.9362 0.9454 0.9454 2.1303 2.1303 2.4005 2.4005 2.8879 2.8879 3.0396 3.0396 6.3808 6.3808 6.7639 6.7639 10.3202 10.3202 11.2767 11.2767 k = 0.5000 0.5000 0.2616 ( 2816 PWs) bands (ev): -25.0673 -25.0673 -9.3348 -9.3348 -8.8304 -8.8304 -8.5810 -8.5810 -8.5588 -8.5588 -3.9447 -3.9447 -0.4102 -0.4102 -0.2083 -0.2083 0.9409 0.9409 1.0331 1.0331 2.1317 2.1317 2.4419 2.4419 2.9717 2.9717 3.0610 3.0610 6.2787 6.2787 6.6590 6.6590 10.3922 10.3922 11.3831 11.3831 k = 0.5000 0.5000 0.2746 ( 2816 PWs) bands (ev): -25.0673 -25.0673 -9.3254 -9.3254 -8.8306 -8.8306 -8.5810 -8.5810 -8.5592 -8.5592 -3.9973 -3.9973 -0.4310 -0.4310 -0.2279 -0.2279 0.9370 0.9370 1.1265 1.1265 2.1330 2.1330 2.4738 2.4738 3.0534 3.0534 3.0889 3.0889 6.1806 6.1806 6.5580 6.5580 10.4674 10.4674 11.4836 11.4836 k = 0.5000 0.5000 0.2877 ( 2816 PWs) bands (ev): -25.0672 -25.0672 -9.3165 -9.3165 -8.8308 -8.8308 -8.5810 -8.5810 -8.5596 -8.5596 -4.0457 -4.0457 -0.4500 -0.4500 -0.2460 -0.2460 0.9337 0.9337 1.2157 1.2157 2.1341 2.1341 2.4962 2.4962 3.1228 3.1228 3.1325 3.1325 6.0871 6.0871 6.4617 6.4617 10.5455 10.5455 11.5743 11.5743 k = 0.5000 0.5000 0.3008 ( 2808 PWs) bands (ev): -25.0672 -25.0672 -9.3082 -9.3082 -8.8309 -8.8309 -8.5810 -8.5810 -8.5600 -8.5600 -4.0895 -4.0895 -0.4673 -0.4673 -0.2623 -0.2623 0.9310 0.9310 1.2999 1.2999 2.1351 2.1351 2.5095 2.5095 3.1615 3.1615 3.2080 3.2080 5.9991 5.9991 6.3709 6.3709 10.6262 10.6262 11.6389 11.6389 k = 0.5000 0.5000 0.3139 ( 2808 PWs) bands (ev): -25.0672 -25.0672 -9.3006 -9.3006 -8.8311 -8.8311 -8.5810 -8.5810 -8.5604 -8.5604 -4.1287 -4.1287 -0.4827 -0.4827 -0.2769 -0.2769 0.9287 0.9287 1.3783 1.3783 2.1360 2.1360 2.5151 2.5151 3.2030 3.2030 3.2789 3.2789 5.9174 5.9174 6.2865 6.2865 10.7092 10.7092 11.6470 11.6470 k = 0.5000 0.5000 0.3270 ( 2792 PWs) bands (ev): -25.0671 -25.0671 -9.2938 -9.2938 -8.8312 -8.8312 -8.5811 -8.5811 -8.5607 -8.5607 -4.1630 -4.1630 -0.4961 -0.4961 -0.2897 -0.2897 0.9269 0.9269 1.4502 1.4502 2.1367 2.1367 2.5147 2.5147 3.2453 3.2453 3.3441 3.3441 5.8430 5.8430 6.2097 6.2097 10.7939 10.7939 11.6277 11.6277 k = 0.5000 0.5000 0.3400 ( 2792 PWs) bands (ev): -25.0671 -25.0671 -9.2878 -9.2878 -8.8313 -8.8313 -8.5811 -8.5811 -8.5609 -8.5609 -4.1923 -4.1923 -0.5076 -0.5076 -0.3006 -0.3006 0.9253 0.9253 1.5143 1.5143 2.1374 2.1374 2.5099 2.5099 3.2858 3.2858 3.4025 3.4025 5.7771 5.7771 6.1415 6.1415 10.8794 10.8794 11.6048 11.6048 k = 0.5000 0.5000 0.3531 ( 2792 PWs) bands (ev): -25.0671 -25.0671 -9.2829 -9.2829 -8.8314 -8.8314 -8.5811 -8.5811 -8.5612 -8.5612 -4.2165 -4.2165 -0.5170 -0.5170 -0.3096 -0.3096 0.9241 0.9241 1.5695 1.5695 2.1379 2.1379 2.5026 2.5026 3.3226 3.3226 3.4528 3.4528 5.7209 5.7209 6.0832 6.0832 10.9643 10.9643 11.5838 11.5838 k = 0.5000 0.5000 0.3662 ( 2800 PWs) bands (ev): -25.0671 -25.0671 -9.2790 -9.2790 -8.8315 -8.8315 -8.5811 -8.5811 -8.5614 -8.5614 -4.2354 -4.2354 -0.5244 -0.5244 -0.3166 -0.3166 0.9232 0.9232 1.6145 1.6145 2.1383 2.1383 2.4944 2.4944 3.3535 3.3535 3.4936 3.4936 5.6755 5.6755 6.0362 6.0362 11.0459 11.0459 11.5662 11.5662 k = 0.5000 0.5000 0.3793 ( 2808 PWs) bands (ev): -25.0672 -25.0672 -9.2762 -9.2762 -8.8315 -8.8315 -8.5811 -8.5811 -8.5615 -8.5615 -4.2489 -4.2489 -0.5296 -0.5296 -0.3217 -0.3217 0.9226 0.9226 1.6480 1.6480 2.1386 2.1386 2.4871 2.4871 3.3769 3.3769 3.5238 3.5238 5.6422 5.6422 6.0016 6.0016 11.1188 11.1188 11.5532 11.5532 k = 0.5000 0.5000 0.3923 ( 2792 PWs) bands (ev): -25.0671 -25.0671 -9.2745 -9.2745 -8.8315 -8.8315 -8.5811 -8.5811 -8.5616 -8.5616 -4.2571 -4.2571 -0.5328 -0.5328 -0.3247 -0.3247 0.9222 0.9222 1.6688 1.6688 2.1388 2.1388 2.4820 2.4820 3.3915 3.3915 3.5423 3.5423 5.6218 5.6218 5.9804 5.9804 11.1731 11.1731 11.5452 11.5452 k = 0.5000 0.5000 0.4054 ( 2784 PWs) bands (ev): -25.0671 -25.0671 -9.2739 -9.2739 -8.8315 -8.8315 -8.5811 -8.5811 -8.5616 -8.5616 -4.2598 -4.2598 -0.5338 -0.5338 -0.3257 -0.3257 0.9221 0.9221 1.6758 1.6758 2.1388 2.1388 2.4803 2.4803 3.3964 3.3964 3.5486 3.5486 5.6149 5.6149 5.9733 5.9733 11.1940 11.1940 11.5425 11.5425 Writing output data file KAuC2.save init_run : 0.59s CPU 1.01s WALL ( 1 calls) electrons : 113.27s CPU 116.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 113.26s CPU 116.79s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 362 calls) cegterg : 101.85s CPU 103.52s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 53.80s CPU 54.84s WALL ( 10606 calls) s_psi : 2.91s CPU 3.10s WALL ( 10606 calls) g_psi : 0.13s CPU 0.15s WALL ( 9620 calls) cdiaghg : 42.72s CPU 43.19s WALL ( 9982 calls) cegterg:over : 3.13s CPU 3.19s WALL ( 9620 calls) cegterg:upda : 2.42s CPU 2.47s WALL ( 9620 calls) cegterg:last : 1.56s CPU 1.50s WALL ( 1690 calls) cdiaghg:chol : 2.13s CPU 2.28s WALL ( 9982 calls) cdiaghg:inve : 1.24s CPU 1.19s WALL ( 9982 calls) cdiaghg:para : 2.36s CPU 2.51s WALL ( 19964 calls) Called by h_psi: h_psi:vloc : 47.70s CPU 49.06s WALL ( 10606 calls) h_psi:vnl : 5.96s CPU 5.67s WALL ( 10606 calls) add_vuspsi : 3.10s CPU 2.97s WALL ( 10606 calls) General routines calbec : 2.84s CPU 2.68s WALL ( 10606 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.97s CPU 45.39s WALL ( 708296 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.19s WALL ( 724 calls) Parallel routines fft_scatter : 16.64s CPU 17.38s WALL ( 708319 calls) PWSCF : 2m 4.86s CPU 2m40.22s WALL This run was terminated on: 16: 9: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=