Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 6:46 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: ./CsAuC2.save/ 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 71 53 15 3047 1987 301 Max 72 54 16 3052 2008 306 Sum 2561 1933 553 109793 71907 10901 bravais-lattice index = 14 lattice parameter (alat) = 8.7116 a.u. unit-cell volume = 744.3303 (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 = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.711637 celldm(2)= 1.000000 celldm(3)= 1.125813 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 1.125813 ) 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 0.888247 ) PseudoPot. # 1 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 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Au 11.00 196.96660 Au( 1.00) C 4.00 12.01070 C( 1.00) Cs 9.00 132.90550 Cs( 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= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0029412 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0029412 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0029412 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0029412 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0029412 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0029412 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0029412 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0029412 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0029412 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0029412 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0029412 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0029412 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0029412 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0029412 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0029412 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0029412 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0029412 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0029412 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0029412 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0029412 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0029412 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0029412 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0029412 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0029412 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0029412 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0029412 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0029412 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0029412 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0029412 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0029412 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0029412 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0029412 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0029412 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0029412 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029412 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0029412 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0029412 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0029412 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0029412 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0029412 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0029412 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0029412 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0029412 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0029412 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0029412 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0029412 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0029412 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0029412 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0029412 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0029412 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0029412 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0029412 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0029412 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0029412 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0029412 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0029412 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0029412 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0029412 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0029412 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0029412 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0029412 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0029412 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0029412 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0029412 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0029412 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0029412 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0029412 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0029412 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0029412 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0029412 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0029412 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0029412 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0029412 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0029412 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0029412 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0029412 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0029412 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0029412 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0029412 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0029412 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0029412 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0029412 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0029412 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 124) = ( 0.0000000 0.0000000 0.0143266), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.0286531), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.0429797), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.0573062), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.0716328), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.0859593), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.1002859), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.1146125), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.1289390), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.1432656), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.1575921), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.1719187), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.1862453), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.2005718), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.2148984), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.2292249), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.2435515), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.2578781), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.2722046), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.2865312), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.3008577), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.3151843), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.3295108), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.3438374), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.3581640), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.3724905), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.3868171), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.4011436), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.4154702), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.4297968), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.4441233), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.4441233), wk = 0.0029412 k( 156) = ( 0.0000000 0.0142857 0.4441233), wk = 0.0029412 k( 157) = ( 0.0000000 0.0285714 0.4441233), wk = 0.0029412 k( 158) = ( 0.0000000 0.0428571 0.4441233), wk = 0.0029412 k( 159) = ( 0.0000000 0.0571429 0.4441233), wk = 0.0029412 k( 160) = ( 0.0000000 0.0714286 0.4441233), wk = 0.0029412 k( 161) = ( 0.0000000 0.0857143 0.4441233), wk = 0.0029412 k( 162) = ( 0.0000000 0.1000000 0.4441233), wk = 0.0029412 k( 163) = ( 0.0000000 0.1142857 0.4441233), wk = 0.0029412 k( 164) = ( 0.0000000 0.1285714 0.4441233), wk = 0.0029412 k( 165) = ( 0.0000000 0.1428571 0.4441233), wk = 0.0029412 k( 166) = ( 0.0000000 0.1571429 0.4441233), wk = 0.0029412 k( 167) = ( 0.0000000 0.1714286 0.4441233), wk = 0.0029412 k( 168) = ( 0.0000000 0.1857143 0.4441233), wk = 0.0029412 k( 169) = ( 0.0000000 0.2000000 0.4441233), wk = 0.0029412 k( 170) = ( 0.0000000 0.2142857 0.4441233), wk = 0.0029412 k( 171) = ( 0.0000000 0.2285714 0.4441233), wk = 0.0029412 k( 172) = ( 0.0000000 0.2428571 0.4441233), wk = 0.0029412 k( 173) = ( 0.0000000 0.2571429 0.4441233), wk = 0.0029412 k( 174) = ( 0.0000000 0.2714286 0.4441233), wk = 0.0029412 k( 175) = ( 0.0000000 0.2857143 0.4441233), wk = 0.0029412 k( 176) = ( 0.0000000 0.3000000 0.4441233), wk = 0.0029412 k( 177) = ( 0.0000000 0.3142857 0.4441233), wk = 0.0029412 k( 178) = ( 0.0000000 0.3285714 0.4441233), wk = 0.0029412 k( 179) = ( 0.0000000 0.3428571 0.4441233), wk = 0.0029412 k( 180) = ( 0.0000000 0.3571429 0.4441233), wk = 0.0029412 k( 181) = ( 0.0000000 0.3714286 0.4441233), wk = 0.0029412 k( 182) = ( 0.0000000 0.3857143 0.4441233), wk = 0.0029412 k( 183) = ( 0.0000000 0.4000000 0.4441233), wk = 0.0029412 k( 184) = ( 0.0000000 0.4142857 0.4441233), wk = 0.0029412 k( 185) = ( 0.0000000 0.4285714 0.4441233), wk = 0.0029412 k( 186) = ( 0.0000000 0.4428571 0.4441233), wk = 0.0029412 k( 187) = ( 0.0000000 0.4571429 0.4441233), wk = 0.0029412 k( 188) = ( 0.0000000 0.4714286 0.4441233), wk = 0.0029412 k( 189) = ( 0.0000000 0.4857143 0.4441233), wk = 0.0029412 k( 190) = ( 0.0000000 0.5000000 0.4441233), wk = 0.0029412 k( 191) = ( 0.0000000 0.5000000 0.4441233), wk = 0.0029412 k( 192) = ( 0.0142857 0.5000000 0.4441233), wk = 0.0029412 k( 193) = ( 0.0285714 0.5000000 0.4441233), wk = 0.0029412 k( 194) = ( 0.0428571 0.5000000 0.4441233), wk = 0.0029412 k( 195) = ( 0.0571429 0.5000000 0.4441233), wk = 0.0029412 k( 196) = ( 0.0714286 0.5000000 0.4441233), wk = 0.0029412 k( 197) = ( 0.0857143 0.5000000 0.4441233), wk = 0.0029412 k( 198) = ( 0.1000000 0.5000000 0.4441233), wk = 0.0029412 k( 199) = ( 0.1142857 0.5000000 0.4441233), wk = 0.0029412 k( 200) = ( 0.1285714 0.5000000 0.4441233), wk = 0.0029412 k( 201) = ( 0.1428571 0.5000000 0.4441233), wk = 0.0029412 k( 202) = ( 0.1571429 0.5000000 0.4441233), wk = 0.0029412 k( 203) = ( 0.1714286 0.5000000 0.4441233), wk = 0.0029412 k( 204) = ( 0.1857143 0.5000000 0.4441233), wk = 0.0029412 k( 205) = ( 0.2000000 0.5000000 0.4441233), wk = 0.0029412 k( 206) = ( 0.2142857 0.5000000 0.4441233), wk = 0.0029412 k( 207) = ( 0.2285714 0.5000000 0.4441233), wk = 0.0029412 k( 208) = ( 0.2428571 0.5000000 0.4441233), wk = 0.0029412 k( 209) = ( 0.2571429 0.5000000 0.4441233), wk = 0.0029412 k( 210) = ( 0.2714286 0.5000000 0.4441233), wk = 0.0029412 k( 211) = ( 0.2857143 0.5000000 0.4441233), wk = 0.0029412 k( 212) = ( 0.3000000 0.5000000 0.4441233), wk = 0.0029412 k( 213) = ( 0.3142857 0.5000000 0.4441233), wk = 0.0029412 k( 214) = ( 0.3285714 0.5000000 0.4441233), wk = 0.0029412 k( 215) = ( 0.3428571 0.5000000 0.4441233), wk = 0.0029412 k( 216) = ( 0.3571429 0.5000000 0.4441233), wk = 0.0029412 k( 217) = ( 0.3714286 0.5000000 0.4441233), wk = 0.0029412 k( 218) = ( 0.3857143 0.5000000 0.4441233), wk = 0.0029412 k( 219) = ( 0.4000000 0.5000000 0.4441233), wk = 0.0029412 k( 220) = ( 0.4142857 0.5000000 0.4441233), wk = 0.0029412 k( 221) = ( 0.4285714 0.5000000 0.4441233), wk = 0.0029412 k( 222) = ( 0.4428571 0.5000000 0.4441233), wk = 0.0029412 k( 223) = ( 0.4571429 0.5000000 0.4441233), wk = 0.0029412 k( 224) = ( 0.4714286 0.5000000 0.4441233), wk = 0.0029412 k( 225) = ( 0.4857143 0.5000000 0.4441233), wk = 0.0029412 k( 226) = ( 0.5000000 0.5000000 0.4441233), wk = 0.0029412 k( 227) = ( 0.5000000 0.5000000 0.4441233), wk = 0.0029412 k( 228) = ( 0.4897959 0.4897959 0.4441233), wk = 0.0029412 k( 229) = ( 0.4795918 0.4795918 0.4441233), wk = 0.0029412 k( 230) = ( 0.4693878 0.4693878 0.4441233), wk = 0.0029412 k( 231) = ( 0.4591837 0.4591837 0.4441233), wk = 0.0029412 k( 232) = ( 0.4489796 0.4489796 0.4441233), wk = 0.0029412 k( 233) = ( 0.4387755 0.4387755 0.4441233), wk = 0.0029412 k( 234) = ( 0.4285714 0.4285714 0.4441233), wk = 0.0029412 k( 235) = ( 0.4183674 0.4183673 0.4441233), wk = 0.0029412 k( 236) = ( 0.4081633 0.4081633 0.4441233), wk = 0.0029412 k( 237) = ( 0.3979592 0.3979592 0.4441233), wk = 0.0029412 k( 238) = ( 0.3877551 0.3877551 0.4441233), wk = 0.0029412 k( 239) = ( 0.3775510 0.3775510 0.4441233), wk = 0.0029412 k( 240) = ( 0.3673469 0.3673469 0.4441233), wk = 0.0029412 k( 241) = ( 0.3571429 0.3571429 0.4441233), wk = 0.0029412 k( 242) = ( 0.3469388 0.3469388 0.4441233), wk = 0.0029412 k( 243) = ( 0.3367347 0.3367347 0.4441233), wk = 0.0029412 k( 244) = ( 0.3265306 0.3265306 0.4441233), wk = 0.0029412 k( 245) = ( 0.3163265 0.3163265 0.4441233), wk = 0.0029412 k( 246) = ( 0.3061224 0.3061224 0.4441233), wk = 0.0029412 k( 247) = ( 0.2959184 0.2959184 0.4441233), wk = 0.0029412 k( 248) = ( 0.2857143 0.2857143 0.4441233), wk = 0.0029412 k( 249) = ( 0.2755102 0.2755102 0.4441233), wk = 0.0029412 k( 250) = ( 0.2653061 0.2653061 0.4441233), wk = 0.0029412 k( 251) = ( 0.2551020 0.2551020 0.4441233), wk = 0.0029412 k( 252) = ( 0.2448980 0.2448980 0.4441233), wk = 0.0029412 k( 253) = ( 0.2346939 0.2346939 0.4441233), wk = 0.0029412 k( 254) = ( 0.2244898 0.2244898 0.4441233), wk = 0.0029412 k( 255) = ( 0.2142857 0.2142857 0.4441233), wk = 0.0029412 k( 256) = ( 0.2040816 0.2040816 0.4441233), wk = 0.0029412 k( 257) = ( 0.1938776 0.1938775 0.4441233), wk = 0.0029412 k( 258) = ( 0.1836735 0.1836735 0.4441233), wk = 0.0029412 k( 259) = ( 0.1734694 0.1734694 0.4441233), wk = 0.0029412 k( 260) = ( 0.1632653 0.1632653 0.4441233), wk = 0.0029412 k( 261) = ( 0.1530612 0.1530612 0.4441233), wk = 0.0029412 k( 262) = ( 0.1428571 0.1428571 0.4441233), wk = 0.0029412 k( 263) = ( 0.1326531 0.1326531 0.4441233), wk = 0.0029412 k( 264) = ( 0.1224490 0.1224490 0.4441233), wk = 0.0029412 k( 265) = ( 0.1122449 0.1122449 0.4441233), wk = 0.0029412 k( 266) = ( 0.1020408 0.1020408 0.4441233), wk = 0.0029412 k( 267) = ( 0.0918367 0.0918367 0.4441233), wk = 0.0029412 k( 268) = ( 0.0816327 0.0816326 0.4441233), wk = 0.0029412 k( 269) = ( 0.0714286 0.0714286 0.4441233), wk = 0.0029412 k( 270) = ( 0.0612245 0.0612245 0.4441233), wk = 0.0029412 k( 271) = ( 0.0510204 0.0510204 0.4441233), wk = 0.0029412 k( 272) = ( 0.0408163 0.0408163 0.4441233), wk = 0.0029412 k( 273) = ( 0.0306122 0.0306122 0.4441233), wk = 0.0029412 k( 274) = ( 0.0204082 0.0204082 0.4441233), wk = 0.0029412 k( 275) = ( 0.0102041 0.0102041 0.4441233), wk = 0.0029412 k( 276) = ( 0.0000000 0.0000000 0.4441233), wk = 0.0029412 k( 277) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 278) = ( 0.0000000 0.5000000 0.0143266), wk = 0.0029412 k( 279) = ( 0.0000000 0.5000000 0.0286531), wk = 0.0029412 k( 280) = ( 0.0000000 0.5000000 0.0429797), wk = 0.0029412 k( 281) = ( 0.0000000 0.5000000 0.0573062), wk = 0.0029412 k( 282) = ( 0.0000000 0.5000000 0.0716328), wk = 0.0029412 k( 283) = ( 0.0000000 0.5000000 0.0859593), wk = 0.0029412 k( 284) = ( 0.0000000 0.5000000 0.1002859), wk = 0.0029412 k( 285) = ( 0.0000000 0.5000000 0.1146125), wk = 0.0029412 k( 286) = ( 0.0000000 0.5000000 0.1289390), wk = 0.0029412 k( 287) = ( 0.0000000 0.5000000 0.1432656), wk = 0.0029412 k( 288) = ( 0.0000000 0.5000000 0.1575921), wk = 0.0029412 k( 289) = ( 0.0000000 0.5000000 0.1719187), wk = 0.0029412 k( 290) = ( 0.0000000 0.5000000 0.1862453), wk = 0.0029412 k( 291) = ( 0.0000000 0.5000000 0.2005718), wk = 0.0029412 k( 292) = ( 0.0000000 0.5000000 0.2148984), wk = 0.0029412 k( 293) = ( 0.0000000 0.5000000 0.2292249), wk = 0.0029412 k( 294) = ( 0.0000000 0.5000000 0.2435515), wk = 0.0029412 k( 295) = ( 0.0000000 0.5000000 0.2578781), wk = 0.0029412 k( 296) = ( 0.0000000 0.5000000 0.2722046), wk = 0.0029412 k( 297) = ( 0.0000000 0.5000000 0.2865312), wk = 0.0029412 k( 298) = ( 0.0000000 0.5000000 0.3008577), wk = 0.0029412 k( 299) = ( 0.0000000 0.5000000 0.3151843), wk = 0.0029412 k( 300) = ( 0.0000000 0.5000000 0.3295108), wk = 0.0029412 k( 301) = ( 0.0000000 0.5000000 0.3438374), wk = 0.0029412 k( 302) = ( 0.0000000 0.5000000 0.3581640), wk = 0.0029412 k( 303) = ( 0.0000000 0.5000000 0.3724905), wk = 0.0029412 k( 304) = ( 0.0000000 0.5000000 0.3868171), wk = 0.0029412 k( 305) = ( 0.0000000 0.5000000 0.4011436), wk = 0.0029412 k( 306) = ( 0.0000000 0.5000000 0.4154702), wk = 0.0029412 k( 307) = ( 0.0000000 0.5000000 0.4297968), wk = 0.0029412 k( 308) = ( 0.0000000 0.5000000 0.4441233), wk = 0.0029412 k( 309) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 310) = ( 0.5000000 0.5000000 0.0143266), wk = 0.0029412 k( 311) = ( 0.5000000 0.5000000 0.0286531), wk = 0.0029412 k( 312) = ( 0.5000000 0.5000000 0.0429797), wk = 0.0029412 k( 313) = ( 0.5000000 0.5000000 0.0573062), wk = 0.0029412 k( 314) = ( 0.5000000 0.5000000 0.0716328), wk = 0.0029412 k( 315) = ( 0.5000000 0.5000000 0.0859593), wk = 0.0029412 k( 316) = ( 0.5000000 0.5000000 0.1002859), wk = 0.0029412 k( 317) = ( 0.5000000 0.5000000 0.1146125), wk = 0.0029412 k( 318) = ( 0.5000000 0.5000000 0.1289390), wk = 0.0029412 k( 319) = ( 0.5000000 0.5000000 0.1432656), wk = 0.0029412 k( 320) = ( 0.5000000 0.5000000 0.1575921), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 0.1719187), wk = 0.0029412 k( 322) = ( 0.5000000 0.5000000 0.1862453), wk = 0.0029412 k( 323) = ( 0.5000000 0.5000000 0.2005718), wk = 0.0029412 k( 324) = ( 0.5000000 0.5000000 0.2148984), wk = 0.0029412 k( 325) = ( 0.5000000 0.5000000 0.2292249), wk = 0.0029412 k( 326) = ( 0.5000000 0.5000000 0.2435515), wk = 0.0029412 k( 327) = ( 0.5000000 0.5000000 0.2578781), wk = 0.0029412 k( 328) = ( 0.5000000 0.5000000 0.2722046), wk = 0.0029412 k( 329) = ( 0.5000000 0.5000000 0.2865312), wk = 0.0029412 k( 330) = ( 0.5000000 0.5000000 0.3008577), wk = 0.0029412 k( 331) = ( 0.5000000 0.5000000 0.3151843), wk = 0.0029412 k( 332) = ( 0.5000000 0.5000000 0.3295108), wk = 0.0029412 k( 333) = ( 0.5000000 0.5000000 0.3438374), wk = 0.0029412 k( 334) = ( 0.5000000 0.5000000 0.3581640), wk = 0.0029412 k( 335) = ( 0.5000000 0.5000000 0.3724905), wk = 0.0029412 k( 336) = ( 0.5000000 0.5000000 0.3868171), wk = 0.0029412 k( 337) = ( 0.5000000 0.5000000 0.4011436), wk = 0.0029412 k( 338) = ( 0.5000000 0.5000000 0.4154702), wk = 0.0029412 k( 339) = ( 0.5000000 0.5000000 0.4297968), wk = 0.0029412 k( 340) = ( 0.5000000 0.5000000 0.4441233), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0029412 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0029412 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0029412 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0029412 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0029412 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0029412 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0029412 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0029412 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0029412 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0029412 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0029412 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0029412 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0029412 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0029412 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0029412 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0029412 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0029412 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0029412 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0029412 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0029412 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0029412 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0029412 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0029412 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0029412 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0029412 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0029412 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0029412 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0029412 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0029412 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0029412 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0029412 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0029412 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0029412 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0029412 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0029412 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0029412 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0029412 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0029412 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0029412 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0029412 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029412 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0029412 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0029412 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0029412 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0029412 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0029412 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0029412 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0029412 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0029412 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0029412 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0029412 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0029412 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0029412 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0029412 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0029412 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0029412 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0029412 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0029412 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0029412 k( 81) = ( 0.4183674 0.4183674 -0.0000000), wk = 0.0029412 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0029412 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0029412 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0029412 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0029412 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0029412 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0029412 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0029412 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0029412 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0029412 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0029412 k( 92) = ( 0.3061224 0.3061224 0.0000000), wk = 0.0029412 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0029412 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0029412 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0029412 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0029412 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0029412 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0029412 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0029412 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0029412 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0029412 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0029412 k( 103) = ( 0.1938776 0.1938776 -0.0000000), wk = 0.0029412 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0029412 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0029412 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0029412 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0029412 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0029412 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0029412 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0029412 k( 114) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 124) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 156) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0029412 k( 157) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0029412 k( 158) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0029412 k( 159) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0029412 k( 160) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0029412 k( 161) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0029412 k( 162) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0029412 k( 163) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0029412 k( 164) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0029412 k( 165) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0029412 k( 166) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0029412 k( 167) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0029412 k( 168) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0029412 k( 169) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0029412 k( 171) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0029412 k( 172) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0029412 k( 173) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0029412 k( 174) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0029412 k( 175) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0029412 k( 176) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0029412 k( 178) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0029412 k( 179) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0029412 k( 180) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0029412 k( 181) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0029412 k( 182) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0029412 k( 183) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0029412 k( 185) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0029412 k( 186) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0029412 k( 187) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0029412 k( 188) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0029412 k( 189) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0029412 k( 190) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 191) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 192) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0029412 k( 193) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0029412 k( 195) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0029412 k( 196) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0029412 k( 197) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0029412 k( 198) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0029412 k( 199) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0029412 k( 200) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0029412 k( 203) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0029412 k( 204) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0029412 k( 205) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0029412 k( 206) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0029412 k( 207) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0029412 k( 208) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0029412 k( 209) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0029412 k( 210) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0029412 k( 211) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0029412 k( 212) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0029412 k( 213) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0029412 k( 214) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0029412 k( 215) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0029412 k( 216) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0029412 k( 217) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0029412 k( 218) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0029412 k( 219) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0029412 k( 220) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0029412 k( 221) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0029412 k( 222) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0029412 k( 223) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0029412 k( 224) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0029412 k( 225) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0029412 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 228) = ( 0.4897959 0.4897959 0.5000000), wk = 0.0029412 k( 229) = ( 0.4795918 0.4795918 0.5000000), wk = 0.0029412 k( 230) = ( 0.4693878 0.4693878 0.5000000), wk = 0.0029412 k( 231) = ( 0.4591837 0.4591837 0.5000000), wk = 0.0029412 k( 232) = ( 0.4489796 0.4489796 0.5000000), wk = 0.0029412 k( 233) = ( 0.4387755 0.4387755 0.5000000), wk = 0.0029412 k( 234) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0029412 k( 235) = ( 0.4183674 0.4183674 0.5000000), wk = 0.0029412 k( 236) = ( 0.4081633 0.4081633 0.5000000), wk = 0.0029412 k( 237) = ( 0.3979592 0.3979592 0.5000000), wk = 0.0029412 k( 238) = ( 0.3877551 0.3877551 0.5000000), wk = 0.0029412 k( 239) = ( 0.3775510 0.3775510 0.5000000), wk = 0.0029412 k( 240) = ( 0.3673469 0.3673469 0.5000000), wk = 0.0029412 k( 241) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0029412 k( 242) = ( 0.3469388 0.3469388 0.5000000), wk = 0.0029412 k( 243) = ( 0.3367347 0.3367347 0.5000000), wk = 0.0029412 k( 244) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0029412 k( 245) = ( 0.3163265 0.3163265 0.5000000), wk = 0.0029412 k( 246) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0029412 k( 247) = ( 0.2959184 0.2959184 0.5000000), wk = 0.0029412 k( 248) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0029412 k( 249) = ( 0.2755102 0.2755102 0.5000000), wk = 0.0029412 k( 250) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0029412 k( 251) = ( 0.2551020 0.2551020 0.5000000), wk = 0.0029412 k( 252) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0029412 k( 253) = ( 0.2346939 0.2346939 0.5000000), wk = 0.0029412 k( 254) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0029412 k( 255) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0029412 k( 256) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0029412 k( 257) = ( 0.1938776 0.1938776 0.5000000), wk = 0.0029412 k( 258) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0029412 k( 259) = ( 0.1734694 0.1734694 0.5000000), wk = 0.0029412 k( 260) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0029412 k( 261) = ( 0.1530612 0.1530612 0.5000000), wk = 0.0029412 k( 262) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0029412 k( 263) = ( 0.1326531 0.1326531 0.5000000), wk = 0.0029412 k( 264) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0029412 k( 265) = ( 0.1122449 0.1122449 0.5000000), wk = 0.0029412 k( 266) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0029412 k( 267) = ( 0.0918367 0.0918367 0.5000000), wk = 0.0029412 k( 268) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0029412 k( 269) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0029412 k( 270) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0029412 k( 271) = ( 0.0510204 0.0510204 0.5000000), wk = 0.0029412 k( 272) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0029412 k( 273) = ( 0.0306122 0.0306122 0.5000000), wk = 0.0029412 k( 274) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0029412 k( 275) = ( 0.0102041 0.0102041 0.5000000), wk = 0.0029412 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 277) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029412 k( 278) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0029412 k( 279) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0029412 k( 280) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0029412 k( 281) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0029412 k( 282) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0029412 k( 283) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0029412 k( 284) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0029412 k( 285) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0029412 k( 286) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0029412 k( 287) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0029412 k( 288) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0029412 k( 289) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0029412 k( 290) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0029412 k( 291) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0029412 k( 292) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0029412 k( 293) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0029412 k( 294) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0029412 k( 295) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0029412 k( 296) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0029412 k( 297) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0029412 k( 298) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0029412 k( 299) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0029412 k( 300) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0029412 k( 301) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0029412 k( 302) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0029412 k( 303) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0029412 k( 304) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0029412 k( 305) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0029412 k( 306) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0029412 k( 307) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0029412 k( 308) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029412 k( 309) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029412 k( 310) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0029412 k( 311) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0029412 k( 312) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0029412 k( 313) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0029412 k( 314) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0029412 k( 315) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0029412 k( 316) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0029412 k( 317) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0029412 k( 318) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0029412 k( 319) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0029412 k( 320) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0029412 k( 321) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0029412 k( 322) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0029412 k( 323) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0029412 k( 324) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0029412 k( 325) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0029412 k( 326) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0029412 k( 327) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0029412 k( 328) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0029412 k( 329) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0029412 k( 330) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0029412 k( 331) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0029412 k( 332) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0029412 k( 333) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0029412 k( 334) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0029412 k( 335) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0029412 k( 336) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0029412 k( 337) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0029412 k( 338) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0029412 k( 339) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0029412 k( 340) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 Dense grid: 109793 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 71907 G-vectors FFT dimensions: ( 50, 50, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 536, 36) NL pseudopotentials 0.51 Mb ( 268, 124) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 3049) G-vector shells 0.01 Mb ( 1383) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 536, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.14 Mb ( 124, 2, 36) The potential is recalculated from file : ./CsAuC2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.5 secs Computing kpt #: 10 total cpu time spent up to now is 12.2 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 13.9 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.5 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 18.6 secs Computing kpt 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29.1 secs Computing kpt #: 36 total cpu time spent up to now is 29.7 secs Computing kpt #: 37 total cpu time spent up to now is 30.4 secs Computing kpt #: 38 total cpu time spent up to now is 31.1 secs Computing kpt #: 39 total cpu time spent up to now is 31.7 secs Computing kpt #: 40 total cpu time spent up to now is 32.4 secs Computing kpt #: 41 total cpu time spent up to now is 33.0 secs Computing kpt #: 42 total cpu time spent up to now is 33.7 secs Computing kpt #: 43 total cpu time spent up to now is 34.3 secs Computing kpt #: 44 total cpu time spent up to now is 35.0 secs Computing kpt #: 45 total cpu time spent up to now is 35.6 secs Computing kpt #: 46 total cpu time spent up to now is 36.2 secs Computing kpt #: 47 total cpu time spent up to now is 36.8 secs Computing kpt #: 48 total cpu time spent up to now is 37.4 secs Computing kpt #: 49 total cpu time spent up to now is 38.0 secs Computing kpt #: 50 total cpu time spent up to now is 38.5 secs Computing kpt #: 51 total cpu time spent up to now is 39.1 secs Computing kpt #: 52 total cpu time spent up to now is 39.6 secs Computing kpt #: 53 total cpu time spent up to now is 40.1 secs Computing kpt #: 54 total cpu time spent up to now is 40.6 secs Computing kpt #: 55 total cpu time spent up to now is 41.1 secs Computing kpt #: 56 total cpu time spent up to now is 41.6 secs Computing kpt #: 57 total cpu time spent up to now is 42.1 secs Computing kpt #: 58 total cpu time spent up to now is 42.6 secs Computing kpt #: 59 total cpu time spent up to now is 43.1 secs Computing kpt #: 60 total cpu time spent up to now is 43.6 secs Computing kpt #: 61 total cpu time spent up to now is 44.1 secs Computing kpt #: 62 total cpu time spent up to now is 44.6 secs Computing kpt #: 63 total cpu time spent up to now is 45.1 secs Computing kpt #: 64 total cpu time spent up to now is 45.7 secs Computing kpt #: 65 total cpu time spent up to now is 46.2 secs Computing kpt #: 66 total cpu time spent up to now is 46.8 secs Computing kpt #: 67 total cpu time spent up to now is 47.4 secs Computing kpt #: 68 total cpu time spent up to now is 48.0 secs Computing kpt #: 69 total cpu time spent up to now is 48.6 secs Computing kpt #: 70 total cpu time spent up to now is 49.2 secs Computing kpt #: 71 total cpu time spent up to now is 49.8 secs Computing kpt #: 72 total cpu time spent up to now is 50.5 secs Computing kpt #: 73 total cpu time spent up to now is 51.2 secs Computing kpt #: 74 total cpu time spent up to now is 52.0 secs Computing kpt #: 75 total cpu time spent up to now is 52.6 secs Computing kpt #: 76 total cpu time spent up to now is 53.2 secs Computing kpt #: 77 total cpu time spent up to now is 53.8 secs Computing kpt #: 78 total cpu time spent up to now is 54.4 secs Computing kpt #: 79 total cpu time spent up to now is 54.9 secs Computing kpt #: 80 total cpu time spent up to now is 55.5 secs Computing kpt #: 81 total cpu time spent up to now is 56.0 secs Computing kpt #: 82 total cpu time spent up to now is 56.5 secs Computing kpt #: 83 total cpu time spent up to now is 57.0 secs Computing kpt #: 84 total cpu time spent up to now is 57.5 secs Computing kpt #: 85 total cpu time spent up to now is 58.0 secs Computing kpt #: 86 total cpu time spent up to now is 58.5 secs Computing kpt #: 87 total cpu time spent up to now is 59.0 secs Computing kpt #: 88 total cpu time spent up to now is 59.5 secs Computing kpt #: 89 total cpu time spent up to now is 60.0 secs Computing kpt #: 90 total cpu time spent up to now is 60.5 secs Computing kpt #: 91 total cpu time spent up to now is 61.0 secs Computing kpt #: 92 total cpu time spent up to now is 61.5 secs Computing kpt #: 93 total cpu time spent up to now is 62.0 secs Computing kpt #: 94 total cpu time spent up to now is 62.6 secs Computing kpt #: 95 total cpu time spent up to now is 63.1 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 64.3 secs Computing kpt #: 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to now is 76.4 secs Computing kpt #: 114 total cpu time spent up to now is 77.2 secs Computing kpt #: 115 total cpu time spent up to now is 78.0 secs Computing kpt #: 116 total cpu time spent up to now is 78.8 secs Computing kpt #: 117 total cpu time spent up to now is 79.7 secs Computing kpt #: 118 total cpu time spent up to now is 80.5 secs Computing kpt #: 119 total cpu time spent up to now is 81.4 secs Computing kpt #: 120 total cpu time spent up to now is 82.2 secs Computing kpt #: 121 total cpu time spent up to now is 83.0 secs Computing kpt #: 122 total cpu time spent up to now is 83.8 secs Computing kpt #: 123 total cpu time spent up to now is 84.6 secs Computing kpt #: 124 total cpu time spent up to now is 85.3 secs Computing kpt #: 125 total cpu time spent up to now is 85.9 secs Computing kpt #: 126 total cpu time spent up to now is 86.5 secs Computing kpt #: 127 total cpu time spent up to now is 87.1 secs Computing kpt #: 128 total cpu time spent up to now is 87.7 secs Computing kpt #: 129 total cpu time spent up to now is 88.3 secs Computing kpt #: 130 total cpu time spent up to now is 88.8 secs Computing kpt #: 131 total cpu time spent up to now is 89.3 secs Computing kpt #: 132 total cpu time spent up to now is 89.9 secs Computing kpt #: 133 total cpu time spent up to now is 90.4 secs Computing kpt #: 134 total cpu time spent up to now is 90.9 secs Computing kpt #: 135 total cpu time spent up to now is 91.5 secs Computing kpt #: 136 total cpu time spent up to now is 92.1 secs Computing kpt #: 137 total cpu time spent up to now is 92.6 secs Computing kpt #: 138 total cpu time spent up to now is 93.1 secs Computing kpt #: 139 total cpu time spent up to now is 93.7 secs Computing kpt #: 140 total cpu time spent up to now is 94.3 secs Computing kpt #: 141 total cpu time spent up to now is 94.8 secs Computing kpt #: 142 total cpu time spent up to now is 95.4 secs Computing kpt #: 143 total cpu time spent up to now is 96.0 secs Computing kpt #: 144 total cpu time spent up to now is 96.6 secs Computing kpt #: 145 total cpu time spent up to now is 97.2 secs Computing kpt #: 146 total cpu time spent up to now is 97.8 secs Computing kpt #: 147 total cpu time spent up to now is 98.3 secs Computing kpt #: 148 total cpu time spent up to now is 98.9 secs Computing kpt #: 149 total cpu time spent up to now is 99.5 secs Computing kpt #: 150 total cpu time spent up to now is 100.1 secs Computing kpt #: 151 total cpu time spent up to now is 100.7 secs Computing kpt #: 152 total cpu time spent up to now is 101.2 secs Computing kpt #: 153 total cpu time spent up to now is 101.8 secs Computing kpt #: 154 total cpu time spent up to now is 102.4 secs Computing kpt #: 155 total cpu time spent up to now is 103.0 secs Computing kpt #: 156 total cpu time spent up to now is 103.6 secs Computing kpt #: 157 total cpu time spent up to now is 104.2 secs Computing kpt #: 158 total cpu time spent up to now is 104.8 secs Computing kpt #: 159 total cpu time spent up to now is 105.3 secs Computing kpt #: 160 total cpu time spent up to now is 105.9 secs Computing kpt #: 161 total cpu time spent up to now is 106.5 secs Computing kpt #: 162 total cpu time spent up to now is 107.1 secs Computing kpt #: 163 total cpu time spent up to now is 107.7 secs Computing kpt #: 164 total cpu time spent up to now is 108.3 secs Computing kpt #: 165 total cpu time spent up to now is 108.8 secs Computing kpt #: 166 total cpu time spent up to now is 109.4 secs Computing kpt #: 167 total cpu time spent up to now is 110.0 secs Computing kpt #: 168 total cpu time spent up to now is 110.6 secs Computing kpt #: 169 total cpu time spent up to now is 111.1 secs Computing kpt #: 170 total cpu time spent up to now is 111.7 secs Computing kpt #: 171 total cpu time spent up to now is 112.3 secs Computing kpt #: 172 total cpu time spent up to now is 112.8 secs Computing kpt #: 173 total cpu time spent up to now is 113.4 secs Computing kpt #: 174 total cpu time spent up to now is 114.0 secs Computing kpt #: 175 total cpu time spent up to now is 114.5 secs Computing kpt #: 176 total cpu time spent up to now is 115.1 secs Computing kpt #: 177 total cpu time spent up to now is 115.8 secs Computing kpt #: 178 total cpu time spent up to now is 116.4 secs Computing kpt #: 179 total cpu time spent up to now is 117.1 secs Computing kpt #: 180 total cpu time spent up to now is 117.7 secs Computing kpt #: 181 total cpu time spent up to now is 118.3 secs Computing kpt #: 182 total cpu time spent up to now is 119.0 secs Computing kpt #: 183 total cpu time spent up to now is 119.7 secs Computing kpt #: 184 total cpu time spent up to now is 120.3 secs Computing kpt #: 185 total cpu time spent up to now is 121.0 secs Computing kpt #: 186 total cpu time spent up to now is 121.7 secs Computing kpt #: 187 total cpu time spent up to now is 122.4 secs Computing kpt #: 188 total cpu time spent up to now is 123.2 secs Computing kpt #: 189 total cpu time spent up to now is 123.9 secs Computing kpt #: 190 total cpu time spent up to now is 124.7 secs Computing kpt #: 191 total cpu time spent up to now is 125.4 secs Computing kpt #: 192 total cpu time spent up to now is 126.2 secs Computing kpt #: 193 total cpu time spent up to now is 126.9 secs Computing kpt #: 194 total cpu time spent up to now is 127.7 secs Computing kpt #: 195 total cpu time spent up to now is 128.5 secs Computing kpt #: 196 total cpu time spent up to now is 129.4 secs Computing kpt #: 197 total cpu time spent up to now is 130.2 secs Computing kpt #: 198 total cpu time spent up to now is 131.2 secs Computing kpt #: 199 total cpu time spent up to now is 132.1 secs Computing kpt #: 200 total cpu time spent up to now is 133.1 secs Computing kpt #: 201 total cpu time spent up to now is 134.3 secs Computing kpt #: 202 total cpu time spent up to now is 135.4 secs Computing kpt #: 203 total cpu time spent up to now is 136.2 secs Computing kpt #: 204 total cpu time spent up to now is 137.0 secs Computing kpt #: 205 total cpu time spent up to now is 137.8 secs Computing kpt #: 206 total cpu time spent up to now is 138.6 secs Computing kpt #: 207 total cpu time spent up to now is 139.2 secs Computing kpt #: 208 total cpu time spent up to now is 139.9 secs Computing kpt #: 209 total cpu time spent up to now is 140.5 secs Computing kpt #: 210 total cpu time spent up to now is 141.1 secs Computing kpt #: 211 total cpu time spent up to now is 141.8 secs Computing kpt #: 212 total cpu time spent up to now is 142.4 secs Computing kpt #: 213 total cpu time spent up to now is 143.0 secs Computing kpt #: 214 total cpu time spent up to now is 143.6 secs Computing kpt #: 215 total cpu time spent up to now is 144.2 secs Computing kpt #: 216 total cpu time spent up to now is 144.9 secs Computing kpt #: 217 total cpu time spent up to now is 145.5 secs Computing kpt #: 218 total cpu time spent up to now is 146.2 secs Computing kpt #: 219 total cpu time spent up to now is 146.9 secs Computing kpt #: 220 total cpu time spent up to now is 147.8 secs Computing kpt #: 221 total cpu time spent up to now is 148.7 secs Computing kpt #: 222 total cpu time spent up to now is 149.6 secs Computing kpt #: 223 total cpu time spent up to now is 152.9 secs Computing kpt #: 224 total cpu time spent up to now is 153.9 secs Computing kpt #: 225 total cpu time spent up to now is 154.7 secs Computing kpt #: 226 total cpu time spent up to now is 155.4 secs Computing kpt #: 227 total cpu time spent up to now is 156.2 secs Computing kpt #: 228 total cpu time spent up to now is 157.0 secs Computing kpt #: 229 total cpu time spent up to now is 157.8 secs Computing kpt #: 230 total cpu time spent up to now is 158.8 secs Computing kpt #: 231 total cpu time spent up to now is 159.9 secs Computing kpt #: 232 total cpu time spent up to now is 161.2 secs Computing kpt #: 233 total cpu time spent up to now is 162.4 secs Computing kpt #: 234 total cpu time spent up to now is 163.2 secs Computing kpt #: 235 total cpu time spent up to now is 164.0 secs Computing kpt #: 236 total cpu time spent up to now is 164.7 secs Computing kpt #: 237 total cpu time spent up to now is 165.5 secs Computing kpt #: 238 total cpu time spent up to now is 166.2 secs Computing kpt #: 239 total cpu time spent up to now is 166.8 secs Computing kpt #: 240 total cpu time spent up to now is 167.5 secs Computing kpt #: 241 total cpu time spent up to now is 168.1 secs Computing kpt #: 242 total cpu time spent up to now is 168.8 secs Computing kpt #: 243 total cpu time spent up to now is 169.6 secs Computing kpt #: 244 total cpu time spent up to now is 170.4 secs Computing kpt #: 245 total cpu time spent up to now is 171.4 secs Computing kpt #: 246 total cpu time spent up to now is 172.3 secs Computing kpt #: 247 total cpu time spent up to now is 173.1 secs Computing kpt #: 248 total cpu time spent up to now is 173.9 secs Computing kpt #: 249 total cpu time spent up to now is 174.6 secs Computing kpt #: 250 total cpu time spent up to now is 175.2 secs Computing kpt #: 251 total cpu time spent up to now is 175.9 secs Computing kpt #: 252 total cpu time spent up to now is 176.6 secs Computing kpt #: 253 total cpu time spent up to now is 177.2 secs Computing kpt #: 254 total cpu time spent up to now is 177.8 secs Computing kpt #: 255 total cpu time spent up to now is 178.5 secs Computing kpt #: 256 total cpu time spent up to now is 179.1 secs Computing kpt #: 257 total cpu time spent up to now is 179.7 secs Computing kpt #: 258 total cpu time spent up to now is 180.3 secs Computing kpt #: 259 total cpu time spent up to now is 180.9 secs Computing kpt #: 260 total cpu time spent up to now is 181.5 secs Computing kpt #: 261 total cpu time spent up to now is 182.1 secs Computing kpt #: 262 total cpu time spent up to now is 182.7 secs Computing kpt #: 263 total cpu time spent up to now is 183.3 secs Computing kpt #: 264 total cpu time spent up to now is 183.9 secs Computing kpt #: 265 total cpu time spent up to now is 184.5 secs Computing kpt #: 266 total cpu time spent up to now is 185.1 secs Computing kpt #: 267 total cpu time spent up to now is 185.7 secs Computing kpt #: 268 total cpu time spent up to now is 186.3 secs Computing kpt #: 269 total cpu time spent up to now is 186.9 secs Computing kpt #: 270 total cpu time spent up to now is 187.5 secs Computing kpt #: 271 total cpu time spent up to now is 188.1 secs Computing kpt #: 272 total cpu time spent up to now is 188.7 secs Computing kpt #: 273 total cpu time spent up to now is 189.3 secs Computing kpt #: 274 total cpu time spent up to now is 189.8 secs Computing kpt #: 275 total cpu time spent up to now is 190.4 secs Computing kpt #: 276 total cpu time spent up to now is 191.0 secs Computing kpt #: 277 total cpu time spent up to now is 191.7 secs Computing kpt #: 278 total cpu time spent up to now is 192.3 secs Computing kpt #: 279 total cpu time spent up to now is 193.0 secs Computing kpt #: 280 total cpu time spent up to now is 193.7 secs Computing kpt #: 281 total cpu time spent up to now is 194.3 secs Computing kpt #: 282 total cpu time spent up to now is 195.0 secs Computing kpt #: 283 total cpu time spent up to now is 195.7 secs Computing kpt #: 284 total cpu time spent up to now is 196.3 secs Computing kpt #: 285 total cpu time spent up to now is 196.9 secs Computing kpt #: 286 total cpu time spent up to now is 197.5 secs Computing kpt #: 287 total cpu time spent up to now is 198.1 secs Computing kpt #: 288 total cpu time spent up to now is 198.7 secs Computing kpt #: 289 total cpu time spent up to now is 199.3 secs Computing kpt #: 290 total cpu time spent up to now is 199.9 secs Computing kpt #: 291 total cpu time spent up to now is 200.5 secs Computing kpt #: 292 total cpu time spent up to now is 201.1 secs Computing kpt #: 293 total cpu time spent up to now is 201.7 secs Computing kpt #: 294 total cpu time spent up to now is 202.2 secs Computing kpt #: 295 total cpu time spent up to now is 202.8 secs Computing kpt #: 296 total cpu time spent up to now is 203.4 secs Computing kpt #: 297 total cpu time spent up to now is 204.0 secs Computing kpt #: 298 total cpu time spent up to now is 204.6 secs Computing kpt #: 299 total cpu time spent up to now is 205.2 secs Computing kpt #: 300 total cpu time spent up to now is 205.9 secs Computing kpt #: 301 total cpu time spent up to now is 206.5 secs Computing kpt #: 302 total cpu time spent up to now is 207.2 secs Computing kpt #: 303 total cpu time spent up to now is 207.8 secs Computing kpt #: 304 total cpu time spent up to now is 208.6 secs Computing kpt #: 305 total cpu time spent up to now is 209.3 secs Computing kpt #: 306 total cpu time spent up to now is 210.0 secs Computing kpt #: 307 total cpu time spent up to now is 210.8 secs Computing kpt #: 308 total cpu time spent up to now is 211.5 secs Computing kpt #: 309 total cpu time spent up to now is 212.2 secs Computing kpt #: 310 total cpu time spent up to now is 212.8 secs Computing kpt #: 311 total cpu time spent up to now is 213.5 secs Computing kpt #: 312 total cpu time spent up to now is 214.1 secs Computing kpt #: 313 total cpu time spent up to now is 214.7 secs Computing kpt #: 314 total cpu time spent up to now is 215.4 secs Computing kpt #: 315 total cpu time spent up to now is 216.0 secs Computing kpt #: 316 total cpu time spent up to now is 216.6 secs Computing kpt #: 317 total cpu time spent up to now is 217.3 secs Computing kpt #: 318 total cpu time spent up to now is 217.9 secs Computing kpt #: 319 total cpu time spent up to now is 218.6 secs Computing kpt #: 320 total cpu time spent up to now is 219.3 secs Computing kpt #: 321 total cpu time spent up to now is 220.1 secs Computing kpt #: 322 total cpu time spent up to now is 220.8 secs Computing kpt #: 323 total cpu time spent up to now is 221.3 secs Computing kpt #: 324 total cpu time spent up to now is 222.0 secs Computing kpt #: 325 total cpu time spent up to now is 222.8 secs Computing kpt #: 326 total cpu time spent up to now is 223.7 secs Computing kpt #: 327 total cpu time spent up to now is 224.4 secs Computing kpt #: 328 total cpu time spent up to now is 225.1 secs Computing kpt #: 329 total cpu time spent up to now is 225.7 secs Computing kpt #: 330 total cpu time spent up to now is 226.4 secs Computing kpt #: 331 total cpu time spent up to now is 227.0 secs Computing kpt #: 332 total cpu time spent up to now is 227.7 secs Computing kpt #: 333 total cpu time spent up to now is 228.4 secs Computing kpt #: 334 total cpu time spent up to now is 229.0 secs Computing kpt #: 335 total cpu time spent up to now is 229.7 secs Computing kpt #: 336 total cpu time spent up to now is 230.4 secs Computing kpt #: 337 total cpu time spent up to now is 231.2 secs Computing kpt #: 338 total cpu time spent up to now is 232.5 secs Computing kpt #: 339 total cpu time spent up to now is 233.2 secs Computing kpt #: 340 total cpu time spent up to now is 234.0 secs ethr = 3.57E-08, avg # of iterations = 33.7 total cpu time spent up to now is 234.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9059 PWs) bands (ev): -15.0672 -15.0672 -9.0345 -9.0345 -3.8247 -3.8247 -2.4908 -2.4908 -2.3452 -2.3452 -2.3339 -2.3339 -0.2839 -0.2839 0.5064 0.5064 0.5092 0.5092 1.6866 1.6866 1.9110 1.9110 2.2738 2.2738 2.3525 2.3525 2.4845 2.4845 8.5830 8.5830 8.9074 8.9074 10.2174 10.2174 10.3930 10.3930 k = 0.0000 0.0143-0.0000 ( 9055 PWs) bands (ev): -15.0671 -15.0671 -9.0347 -9.0347 -3.8246 -3.8246 -2.4907 -2.4907 -2.3473 -2.3473 -2.3315 -2.3315 -0.2843 -0.2843 0.5065 0.5065 0.5093 0.5093 1.6866 1.6866 1.9112 1.9112 2.2737 2.2737 2.3517 2.3517 2.4835 2.4835 8.5854 8.5854 8.9042 8.9042 10.2176 10.2176 10.3931 10.3931 k = 0.0000 0.0286-0.0000 ( 9043 PWs) bands (ev): -15.0668 -15.0668 -9.0353 -9.0353 -3.8242 -3.8242 -2.4904 -2.4904 -2.3513 -2.3513 -2.3265 -2.3265 -0.2853 -0.2853 0.5068 0.5068 0.5095 0.5095 1.6868 1.6868 1.9116 1.9116 2.2736 2.2736 2.3492 2.3492 2.4807 2.4807 8.5925 8.5925 8.8947 8.8947 10.2185 10.2185 10.3934 10.3934 k = 0.0000 0.0429-0.0000 ( 9037 PWs) bands (ev): -15.0664 -15.0664 -9.0364 -9.0364 -3.8236 -3.8236 -2.4899 -2.4899 -2.3555 -2.3555 -2.3208 -2.3208 -0.2870 -0.2870 0.5073 0.5073 0.5098 0.5098 1.6871 1.6871 1.9123 1.9123 2.2734 2.2734 2.3452 2.3452 2.4760 2.4760 8.6040 8.6040 8.8788 8.8788 10.2200 10.2200 10.3810 10.3810 k = 0.0000 0.0571-0.0000 ( 9029 PWs) bands (ev): -15.0658 -15.0658 -9.0380 -9.0380 -3.8228 -3.8228 -2.4894 -2.4894 -2.3594 -2.3594 -2.3146 -2.3146 -0.2894 -0.2894 0.5080 0.5080 0.5104 0.5104 1.6875 1.6875 1.9131 1.9131 2.2730 2.2730 2.3396 2.3396 2.4697 2.4697 8.6190 8.6190 8.8568 8.8568 10.2226 10.2226 10.3590 10.3590 k = 0.0000 0.0714-0.0000 ( 9017 PWs) bands (ev): -15.0651 -15.0651 -9.0399 -9.0399 -3.8217 -3.8217 -2.4887 -2.4887 -2.3628 -2.3628 -2.3082 -2.3082 -0.2925 -0.2925 0.5088 0.5088 0.5111 0.5111 1.6880 1.6880 1.9139 1.9139 2.2724 2.2724 2.3326 2.3326 2.4620 2.4620 8.6356 8.6356 8.8303 8.8303 10.2265 10.2265 10.3400 10.3400 k = 0.0000 0.0857-0.0000 ( 9017 PWs) bands (ev): -15.0641 -15.0641 -9.0422 -9.0422 -3.8205 -3.8205 -2.4881 -2.4881 -2.3657 -2.3657 -2.3017 -2.3017 -0.2962 -0.2962 0.5096 0.5096 0.5122 0.5122 1.6886 1.6886 1.9144 1.9144 2.2715 2.2715 2.3243 2.3243 2.4532 2.4532 8.6484 8.6484 8.8044 8.8044 10.2320 10.2320 10.3266 10.3266 k = 0.0000 0.1000-0.0000 ( 9009 PWs) bands (ev): -15.0631 -15.0631 -9.0449 -9.0449 -3.8190 -3.8190 -2.4875 -2.4875 -2.3679 -2.3679 -2.2951 -2.2951 -0.3005 -0.3005 0.5104 0.5104 0.5135 0.5135 1.6893 1.6893 1.9146 1.9146 2.2702 2.2702 2.3148 2.3148 2.4439 2.4439 8.6443 8.6443 8.7920 8.7920 10.2385 10.2385 10.3211 10.3211 k = 0.0000 0.1143-0.0000 ( 9003 PWs) bands (ev): -15.0619 -15.0619 -9.0480 -9.0480 -3.8173 -3.8173 -2.4870 -2.4870 -2.3693 -2.3693 -2.2883 -2.2883 -0.3053 -0.3053 0.5112 0.5112 0.5151 0.5151 1.6900 1.6900 1.9141 1.9141 2.2683 2.2683 2.3043 2.3043 2.4345 2.4345 8.6118 8.6118 8.8047 8.8047 10.2437 10.2437 10.3264 10.3264 k = 0.0000 0.1286-0.0000 ( 9001 PWs) bands (ev): -15.0606 -15.0606 -9.0514 -9.0514 -3.8154 -3.8154 -2.4867 -2.4867 -2.3698 -2.3698 -2.2815 -2.2815 -0.3107 -0.3107 0.5121 0.5121 0.5169 0.5169 1.6908 1.6908 1.9126 1.9126 2.2654 2.2654 2.2931 2.2931 2.4258 2.4258 8.5575 8.5575 8.8367 8.8367 10.2459 10.2459 10.3447 10.3447 k = 0.0000 0.1429-0.0000 ( 8999 PWs) bands (ev): -15.0591 -15.0591 -9.0551 -9.0551 -3.8134 -3.8134 -2.4867 -2.4867 -2.3695 -2.3695 -2.2747 -2.2747 -0.3167 -0.3167 0.5129 0.5129 0.5189 0.5189 1.6917 1.6917 1.9098 1.9098 2.2603 2.2603 2.2821 2.2821 2.4185 2.4185 8.4904 8.4904 8.8796 8.8796 10.2451 10.2451 10.3757 10.3757 k = 0.0000 0.1571-0.0000 ( 8997 PWs) bands (ev): -15.0576 -15.0576 -9.0591 -9.0591 -3.8112 -3.8112 -2.4870 -2.4870 -2.3684 -2.3684 -2.2678 -2.2678 -0.3230 -0.3230 0.5139 0.5139 0.5210 0.5210 1.6926 1.6926 1.9055 1.9055 2.2511 2.2511 2.2734 2.2734 2.4131 2.4131 8.4151 8.4151 8.9297 8.9297 10.2428 10.2428 10.4176 10.4176 k = 0.0000 0.1714-0.0000 ( 9015 PWs) bands (ev): -15.0559 -15.0559 -9.0634 -9.0634 -3.8089 -3.8089 -2.4876 -2.4876 -2.3663 -2.3663 -2.2610 -2.2610 -0.3298 -0.3298 0.5148 0.5148 0.5233 0.5233 1.6936 1.6936 1.8995 1.8995 2.2368 2.2368 2.2678 2.2678 2.4103 2.4103 8.3339 8.3339 8.9853 8.9853 10.2399 10.2399 10.4581 10.4581 k = 0.0000 0.1857-0.0000 ( 9019 PWs) bands (ev): -15.0542 -15.0542 -9.0678 -9.0678 -3.8064 -3.8064 -2.4885 -2.4885 -2.3634 -2.3634 -2.2542 -2.2542 -0.3369 -0.3369 0.5158 0.5158 0.5257 0.5257 1.6946 1.6946 1.8915 1.8915 2.2191 2.2191 2.2640 2.2640 2.4102 2.4102 8.2486 8.2486 9.0457 9.0457 10.2371 10.2371 10.4752 10.4752 k = 0.0000 0.2000-0.0000 ( 9009 PWs) bands (ev): -15.0524 -15.0524 -9.0725 -9.0725 -3.8039 -3.8039 -2.4896 -2.4896 -2.3598 -2.3598 -2.2474 -2.2474 -0.3443 -0.3443 0.5169 0.5169 0.5281 0.5281 1.6956 1.6956 1.8816 1.8816 2.1991 2.1991 2.2612 2.2612 2.4129 2.4129 8.1604 8.1604 9.1103 9.1103 10.2347 10.2347 10.4937 10.4937 k = 0.0000 0.2143-0.0000 ( 9001 PWs) bands (ev): -15.0505 -15.0505 -9.0772 -9.0772 -3.8013 -3.8013 -2.4909 -2.4909 -2.3554 -2.3554 -2.2407 -2.2407 -0.3520 -0.3520 0.5180 0.5180 0.5306 0.5306 1.6966 1.6966 1.8697 1.8697 2.1774 2.1774 2.2590 2.2590 2.4184 2.4184 8.0705 8.0705 9.1786 9.1786 10.2329 10.2329 10.5140 10.5140 k = 0.0000 0.2286-0.0000 ( 9009 PWs) bands (ev): -15.0486 -15.0486 -9.0821 -9.0821 -3.7986 -3.7986 -2.4924 -2.4924 -2.3505 -2.3505 -2.2341 -2.2341 -0.3599 -0.3599 0.5190 0.5190 0.5332 0.5332 1.6976 1.6976 1.8560 1.8560 2.1545 2.1545 2.2575 2.2575 2.4263 2.4263 7.9798 7.9798 9.2503 9.2503 10.2319 10.2319 10.5360 10.5360 k = 0.0000 0.2429-0.0000 ( 8997 PWs) bands (ev): -15.0467 -15.0467 -9.0871 -9.0871 -3.7958 -3.7958 -2.4940 -2.4940 -2.3451 -2.3451 -2.2276 -2.2276 -0.3678 -0.3678 0.5201 0.5201 0.5357 0.5357 1.6986 1.6986 1.8408 1.8408 2.1307 2.1307 2.2565 2.2565 2.4365 2.4365 7.8891 7.8891 9.3250 9.3250 10.2320 10.2320 10.5596 10.5596 k = 0.0000 0.2571-0.0000 ( 8997 PWs) bands (ev): -15.0447 -15.0447 -9.0920 -9.0920 -3.7931 -3.7931 -2.4956 -2.4956 -2.3393 -2.3393 -2.2213 -2.2213 -0.3759 -0.3759 0.5213 0.5213 0.5383 0.5383 1.6996 1.6996 1.8243 1.8243 2.1065 2.1065 2.2559 2.2559 2.4487 2.4487 7.7992 7.7992 9.4021 9.4021 10.2333 10.2333 10.5848 10.5848 k = 0.0000 0.2714-0.0000 ( 8997 PWs) bands (ev): -15.0428 -15.0428 -9.0970 -9.0970 -3.7904 -3.7904 -2.4973 -2.4973 -2.3333 -2.3333 -2.2150 -2.2150 -0.3839 -0.3839 0.5224 0.5224 0.5408 0.5408 1.7005 1.7005 1.8068 1.8068 2.0820 2.0820 2.2556 2.2556 2.4626 2.4626 7.7108 7.7108 9.4815 9.4815 10.2360 10.2360 10.6115 10.6115 k = 0.0000 0.2857-0.0000 ( 8997 PWs) bands (ev): -15.0409 -15.0409 -9.1019 -9.1019 -3.7876 -3.7876 -2.4990 -2.4990 -2.3270 -2.3270 -2.2090 -2.2090 -0.3919 -0.3919 0.5235 0.5235 0.5433 0.5433 1.7014 1.7014 1.7887 1.7887 2.0577 2.0577 2.2557 2.2557 2.4779 2.4779 7.6244 7.6244 9.5625 9.5625 10.2403 10.2403 10.6396 10.6396 k = 0.0000 0.3000-0.0000 ( 9013 PWs) bands (ev): -15.0390 -15.0390 -9.1067 -9.1067 -3.7850 -3.7850 -2.5006 -2.5006 -2.3207 -2.3207 -2.2032 -2.2032 -0.3998 -0.3998 0.5245 0.5245 0.5457 0.5457 1.7023 1.7023 1.7704 1.7704 2.0336 2.0336 2.2559 2.2559 2.4943 2.4943 7.5407 7.5407 9.6448 9.6448 10.2463 10.2463 10.6688 10.6688 k = 0.0000 0.3143-0.0000 ( 8997 PWs) bands (ev): -15.0371 -15.0371 -9.1113 -9.1113 -3.7824 -3.7824 -2.5022 -2.5022 -2.3144 -2.3144 -2.1976 -2.1976 -0.4075 -0.4075 0.5256 0.5256 0.5480 0.5480 1.7030 1.7030 1.7521 1.7521 2.0101 2.0101 2.2562 2.2562 2.5114 2.5114 7.4602 7.4602 9.7278 9.7278 10.2541 10.2541 10.6990 10.6990 k = 0.0000 0.3286-0.0000 ( 9005 PWs) bands (ev): -15.0354 -15.0354 -9.1158 -9.1158 -3.7799 -3.7799 -2.5037 -2.5037 -2.3082 -2.3082 -2.1923 -2.1923 -0.4149 -0.4149 0.5266 0.5266 0.5502 0.5502 1.7033 1.7033 1.7345 1.7345 1.9874 1.9874 2.2566 2.2566 2.5291 2.5291 7.3833 7.3833 9.8111 9.8111 10.2638 10.2638 10.7300 10.7300 k = 0.0000 0.3429-0.0000 ( 8997 PWs) bands (ev): -15.0337 -15.0337 -9.1201 -9.1201 -3.7775 -3.7775 -2.5050 -2.5050 -2.3021 -2.3021 -2.1872 -2.1872 -0.4220 -0.4220 0.5276 0.5276 0.5524 0.5524 1.7021 1.7021 1.7189 1.7189 1.9657 1.9657 2.2571 2.2571 2.5469 2.5469 7.3106 7.3106 9.8939 9.8939 10.2755 10.2755 10.7613 10.7613 k = 0.0000 0.3571-0.0000 ( 8993 PWs) bands (ev): -15.0321 -15.0321 -9.1241 -9.1241 -3.7752 -3.7752 -2.5063 -2.5063 -2.2963 -2.2963 -2.1825 -2.1825 -0.4287 -0.4287 0.5285 0.5285 0.5544 0.5544 1.6941 1.6941 1.7110 1.7110 1.9452 1.9452 2.2575 2.2575 2.5645 2.5645 7.2424 7.2424 9.9758 9.9758 10.2895 10.2895 10.7922 10.7922 k = 0.0000 0.3714-0.0000 ( 8983 PWs) bands (ev): -15.0306 -15.0306 -9.1279 -9.1279 -3.7731 -3.7731 -2.5074 -2.5074 -2.2908 -2.2908 -2.1781 -2.1781 -0.4349 -0.4349 0.5294 0.5294 0.5562 0.5562 1.6801 1.6801 1.7098 1.7098 1.9260 1.9260 2.2580 2.2580 2.5816 2.5816 7.1793 7.1793 10.0559 10.0559 10.3056 10.3056 10.8213 10.8213 k = 0.0000 0.3857-0.0000 ( 8983 PWs) bands (ev): -15.0293 -15.0293 -9.1313 -9.1313 -3.7712 -3.7712 -2.5085 -2.5085 -2.2858 -2.2858 -2.1741 -2.1741 -0.4407 -0.4407 0.5302 0.5302 0.5579 0.5579 1.6659 1.6659 1.7102 1.7102 1.9083 1.9083 2.2584 2.2584 2.5978 2.5978 7.1216 7.1216 10.1334 10.1334 10.3242 10.3242 10.8443 10.8443 k = 0.0000 0.4000-0.0000 ( 8987 PWs) bands (ev): -15.0281 -15.0281 -9.1345 -9.1345 -3.7694 -3.7694 -2.5094 -2.5094 -2.2811 -2.2811 -2.1704 -2.1704 -0.4459 -0.4459 0.5309 0.5309 0.5595 0.5595 1.6527 1.6527 1.7109 1.7109 1.8922 1.8922 2.2588 2.2588 2.6130 2.6130 7.0698 7.0698 10.2073 10.2073 10.3452 10.3452 10.8484 10.8484 k = 0.0000 0.4143-0.0000 ( 8986 PWs) bands (ev): -15.0270 -15.0270 -9.1372 -9.1372 -3.7679 -3.7679 -2.5102 -2.5102 -2.2770 -2.2770 -2.1672 -2.1672 -0.4506 -0.4506 0.5315 0.5315 0.5609 0.5609 1.6408 1.6408 1.7117 1.7117 1.8779 1.8779 2.2591 2.2591 2.6268 2.6268 7.0240 7.0240 10.2761 10.2761 10.3689 10.3689 10.8207 10.8207 k = 0.0000 0.4286-0.0000 ( 8984 PWs) bands (ev): -15.0260 -15.0260 -9.1396 -9.1396 -3.7666 -3.7666 -2.5108 -2.5108 -2.2734 -2.2734 -2.1645 -2.1645 -0.4546 -0.4546 0.5321 0.5321 0.5620 0.5620 1.6305 1.6305 1.7125 1.7125 1.8655 1.8655 2.2595 2.2595 2.6390 2.6390 6.9847 6.9847 10.3383 10.3383 10.3958 10.3958 10.7772 10.7772 k = 0.0000 0.4429-0.0000 ( 8980 PWs) bands (ev): -15.0253 -15.0253 -9.1415 -9.1415 -3.7655 -3.7655 -2.5113 -2.5113 -2.2704 -2.2704 -2.1622 -2.1622 -0.4579 -0.4579 0.5326 0.5326 0.5630 0.5630 1.6219 1.6219 1.7132 1.7132 1.8552 1.8552 2.2597 2.2597 2.6493 2.6493 6.9522 6.9522 10.3914 10.3914 10.4264 10.4264 10.7307 10.7307 k = 0.0000 0.4571-0.0000 ( 8968 PWs) bands (ev): -15.0247 -15.0247 -9.1431 -9.1431 -3.7646 -3.7646 -2.5118 -2.5118 -2.2681 -2.2681 -2.1604 -2.1604 -0.4605 -0.4605 0.5329 0.5329 0.5638 0.5638 1.6151 1.6151 1.7139 1.7139 1.8470 1.8470 2.2599 2.2599 2.6575 2.6575 6.9266 6.9266 10.4343 10.4343 10.4600 10.4600 10.6850 10.6850 k = 0.0000 0.4714-0.0000 ( 8974 PWs) bands (ev): -15.0242 -15.0242 -9.1442 -9.1442 -3.7640 -3.7640 -2.5121 -2.5121 -2.2664 -2.2664 -2.1591 -2.1591 -0.4624 -0.4624 0.5332 0.5332 0.5643 0.5643 1.6102 1.6102 1.7144 1.7144 1.8410 1.8410 2.2601 2.2601 2.6635 2.6635 6.9082 6.9082 10.4709 10.4709 10.4904 10.4904 10.6417 10.6417 k = 0.0000 0.4857-0.0000 ( 8972 PWs) bands (ev): -15.0240 -15.0240 -9.1449 -9.1449 -3.7636 -3.7636 -2.5122 -2.5122 -2.2654 -2.2654 -2.1583 -2.1583 -0.4635 -0.4635 0.5333 0.5333 0.5647 0.5647 1.6073 1.6073 1.7147 1.7147 1.8374 1.8374 2.2601 2.2601 2.6672 2.6672 6.8971 6.8971 10.5039 10.5039 10.5111 10.5111 10.6030 10.6030 k = 0.0000 0.5000-0.0000 ( 8964 PWs) bands (ev): -15.0239 -15.0239 -9.1451 -9.1451 -3.7634 -3.7634 -2.5123 -2.5123 -2.2650 -2.2650 -2.1581 -2.1581 -0.4639 -0.4639 0.5334 0.5334 0.5648 0.5648 1.6063 1.6063 1.7149 1.7149 1.8362 1.8362 2.2602 2.2602 2.6684 2.6684 6.8934 6.8934 10.5173 10.5173 10.5242 10.5242 10.5817 10.5817 k = 0.0000 0.5000-0.0000 ( 8964 PWs) bands (ev): -15.0239 -15.0239 -9.1451 -9.1451 -3.7634 -3.7634 -2.5123 -2.5123 -2.2650 -2.2650 -2.1581 -2.1581 -0.4639 -0.4639 0.5334 0.5334 0.5648 0.5648 1.6063 1.6063 1.7149 1.7149 1.8362 1.8362 2.2602 2.2602 2.6684 2.6684 6.8934 6.8934 10.5173 10.5173 10.5242 10.5242 10.5817 10.5817 k = 0.0143 0.5000-0.0000 ( 8976 PWs) bands (ev): -15.0238 -15.0238 -9.1450 -9.1450 -3.7639 -3.7639 -2.5125 -2.5125 -2.2658 -2.2658 -2.1590 -2.1590 -0.4638 -0.4638 0.5333 0.5333 0.5646 0.5646 1.6082 1.6082 1.7150 1.7150 1.8376 1.8376 2.2604 2.2604 2.6686 2.6686 6.8950 6.8950 10.5086 10.5086 10.5189 10.5189 10.5786 10.5786 k = 0.0286 0.5000-0.0000 ( 8972 PWs) bands (ev): -15.0236 -15.0236 -9.1445 -9.1445 -3.7654 -3.7654 -2.5129 -2.5129 -2.2681 -2.2681 -2.1618 -2.1618 -0.4633 -0.4633 0.5331 0.5331 0.5642 0.5642 1.6138 1.6138 1.7155 1.7155 1.8418 1.8418 2.2612 2.2612 2.6693 2.6693 6.8999 6.8999 10.4697 10.4697 10.5236 10.5236 10.5647 10.5647 k = 0.0429 0.5000-0.0000 ( 8964 PWs) bands (ev): -15.0233 -15.0233 -9.1438 -9.1438 -3.7678 -3.7678 -2.5138 -2.5138 -2.2720 -2.2720 -2.1664 -2.1664 -0.4625 -0.4625 0.5328 0.5328 0.5635 0.5635 1.6230 1.6230 1.7164 1.7164 1.8487 1.8487 2.2626 2.2626 2.6704 2.6704 6.9080 6.9080 10.4178 10.4178 10.5297 10.5297 10.5384 10.5384 k = 0.0571 0.5000-0.0000 ( 8964 PWs) bands (ev): -15.0229 -15.0229 -9.1427 -9.1427 -3.7711 -3.7711 -2.5149 -2.5149 -2.2776 -2.2776 -2.1724 -2.1724 -0.4615 -0.4615 0.5323 0.5323 0.5626 0.5626 1.6351 1.6351 1.7182 1.7182 1.8583 1.8583 2.2644 2.2644 2.6720 2.6720 6.9193 6.9193 10.3586 10.3586 10.4959 10.4959 10.5429 10.5429 k = 0.0714 0.5000-0.0000 ( 8964 PWs) bands (ev): -15.0224 -15.0224 -9.1414 -9.1414 -3.7754 -3.7754 -2.5165 -2.5165 -2.2849 -2.2849 -2.1796 -2.1796 -0.4601 -0.4601 0.5317 0.5317 0.5614 0.5614 1.6492 1.6492 1.7216 1.7216 1.8705 1.8705 2.2668 2.2668 2.6741 2.6741 6.9339 6.9339 10.2955 10.2955 10.4471 10.4471 10.5561 10.5561 k = 0.0857 0.5000-0.0000 ( 8976 PWs) bands (ev): -15.0218 -15.0218 -9.1398 -9.1398 -3.7806 -3.7806 -2.5185 -2.5185 -2.2941 -2.2941 -2.1876 -2.1876 -0.4585 -0.4585 0.5310 0.5310 0.5599 0.5599 1.6635 1.6635 1.7283 1.7283 1.8851 1.8851 2.2696 2.2696 2.6767 2.6767 6.9517 6.9517 10.2305 10.2305 10.3918 10.3918 10.5714 10.5714 k = 0.1000 0.5000-0.0000 ( 8976 PWs) bands (ev): -15.0210 -15.0210 -9.1379 -9.1379 -3.7867 -3.7867 -2.5209 -2.5209 -2.3051 -2.3051 -2.1962 -2.1962 -0.4566 -0.4566 0.5302 0.5302 0.5582 0.5582 1.6754 1.6754 1.7407 1.7407 1.9022 1.9022 2.2729 2.2729 2.6798 2.6798 6.9726 6.9726 10.1646 10.1646 10.3323 10.3323 10.5879 10.5879 k = 0.1143 0.5000-0.0000 ( 8970 PWs) bands (ev): -15.0202 -15.0202 -9.1358 -9.1358 -3.7936 -3.7936 -2.5239 -2.5239 -2.3179 -2.3179 -2.2049 -2.2049 -0.4544 -0.4544 0.5293 0.5293 0.5563 0.5563 1.6829 1.6829 1.7601 1.7601 1.9214 1.9214 2.2766 2.2766 2.6834 2.6834 6.9968 6.9968 10.0988 10.0988 10.2702 10.2702 10.6022 10.6022 k = 0.1286 0.5000-0.0000 ( 8970 PWs) bands (ev): -15.0193 -15.0193 -9.1335 -9.1335 -3.8013 -3.8013 -2.5276 -2.5276 -2.3324 -2.3324 -2.2135 -2.2135 -0.4520 -0.4520 0.5283 0.5283 0.5542 0.5542 1.6868 1.6868 1.7857 1.7857 1.9427 1.9427 2.2807 2.2807 2.6876 2.6876 7.0240 7.0240 10.0334 10.0334 10.2068 10.2068 10.5747 10.5747 k = 0.1429 0.5000-0.0000 ( 8986 PWs) bands (ev): -15.0183 -15.0183 -9.1309 -9.1309 -3.8098 -3.8098 -2.5321 -2.5321 -2.3482 -2.3482 -2.2218 -2.2218 -0.4494 -0.4494 0.5272 0.5272 0.5519 0.5519 1.6885 1.6885 1.8157 1.8157 1.9660 1.9660 2.2852 2.2852 2.6923 2.6923 7.0544 7.0544 9.9687 9.9687 10.1429 10.1429 10.4633 10.4633 k = 0.1571 0.5000-0.0000 ( 8980 PWs) bands (ev): -15.0172 -15.0172 -9.1282 -9.1282 -3.8189 -3.8189 -2.5376 -2.5376 -2.3649 -2.3649 -2.2298 -2.2298 -0.4466 -0.4466 0.5260 0.5260 0.5494 0.5494 1.6889 1.6889 1.8488 1.8488 1.9909 1.9909 2.2900 2.2900 2.6977 2.6977 7.0879 7.0879 9.9048 9.9048 10.0794 10.0794 10.3436 10.3436 k = 0.1714 0.5000-0.0000 ( 8976 PWs) bands (ev): -15.0160 -15.0160 -9.1252 -9.1252 -3.8287 -3.8287 -2.5443 -2.5443 -2.3819 -2.3819 -2.2374 -2.2374 -0.4436 -0.4436 0.5248 0.5248 0.5467 0.5467 1.6885 1.6885 1.8840 1.8840 2.0175 2.0175 2.2952 2.2952 2.7036 2.7036 7.1244 7.1244 9.8418 9.8418 10.0166 10.0166 10.2249 10.2249 k = 0.1857 0.5000-0.0000 ( 8980 PWs) bands (ev): -15.0148 -15.0148 -9.1222 -9.1222 -3.8391 -3.8391 -2.5527 -2.5527 -2.3987 -2.3987 -2.2446 -2.2446 -0.4404 -0.4404 0.5235 0.5235 0.5440 0.5440 1.6876 1.6876 1.9208 1.9208 2.0453 2.0453 2.3006 2.3006 2.7101 2.7101 7.1639 7.1639 9.7793 9.7793 9.9550 9.9550 10.1088 10.1088 k = 0.2000 0.5000-0.0000 ( 8976 PWs) bands (ev): -15.0136 -15.0136 -9.1189 -9.1189 -3.8500 -3.8500 -2.5629 -2.5629 -2.4145 -2.4145 -2.2514 -2.2514 -0.4371 -0.4371 0.5221 0.5221 0.5411 0.5411 1.6863 1.6863 1.9585 1.9585 2.0743 2.0743 2.3063 2.3063 2.7172 2.7172 7.2064 7.2064 9.7170 9.7170 9.8950 9.8950 9.9965 9.9965 k = 0.2143 0.5000-0.0000 ( 8988 PWs) bands (ev): -15.0123 -15.0123 -9.1156 -9.1156 -3.8613 -3.8613 -2.5753 -2.5753 -2.4288 -2.4288 -2.2579 -2.2579 -0.4337 -0.4337 0.5207 0.5207 0.5381 0.5381 1.6847 1.6847 1.9967 1.9967 2.1043 2.1043 2.3123 2.3123 2.7248 2.7248 7.2517 7.2517 9.6538 9.6538 9.8364 9.8364 9.8899 9.8899 k = 0.2286 0.5000-0.0000 ( 8976 PWs) bands (ev): -15.0110 -15.0110 -9.1122 -9.1122 -3.8729 -3.8729 -2.5898 -2.5898 -2.4412 -2.4412 -2.2639 -2.2639 -0.4302 -0.4302 0.5192 0.5192 0.5350 0.5350 1.6829 1.6829 2.0350 2.0350 2.1349 2.1349 2.3186 2.3186 2.7330 2.7330 7.3000 7.3000 9.5883 9.5883 9.7765 9.7765 9.7942 9.7942 k = 0.2429 0.5000-0.0000 ( 8988 PWs) bands (ev): -15.0096 -15.0096 -9.1088 -9.1088 -3.8847 -3.8847 -2.6064 -2.6064 -2.4516 -2.4516 -2.2696 -2.2696 -0.4266 -0.4266 0.5178 0.5178 0.5319 0.5319 1.6810 1.6810 2.0729 2.0729 2.1658 2.1658 2.3253 2.3253 2.7417 2.7417 7.3511 7.3511 9.5181 9.5181 9.6969 9.6969 9.7305 9.7305 k = 0.2571 0.5000-0.0000 ( 8984 PWs) bands (ev): -15.0083 -15.0083 -9.1053 -9.1053 -3.8967 -3.8967 -2.6247 -2.6247 -2.4602 -2.4602 -2.2750 -2.2750 -0.4230 -0.4230 0.5162 0.5162 0.5288 0.5288 1.6789 1.6789 2.1100 2.1100 2.1966 2.1966 2.3327 2.3327 2.7508 2.7508 7.4048 7.4048 9.4418 9.4418 9.6200 9.6200 9.6786 9.6786 k = 0.2714 0.5000-0.0000 ( 8980 PWs) bands (ev): -15.0070 -15.0070 -9.1019 -9.1019 -3.9087 -3.9087 -2.6441 -2.6441 -2.4672 -2.4672 -2.2800 -2.2800 -0.4194 -0.4194 0.5147 0.5147 0.5257 0.5257 1.6767 1.6767 2.1460 2.1460 2.2267 2.2267 2.3412 2.3412 2.7604 2.7604 7.4613 7.4613 9.3601 9.3601 9.5541 9.5541 9.6299 9.6299 k = 0.2857 0.5000-0.0000 ( 8980 PWs) bands (ev): -15.0056 -15.0056 -9.0984 -9.0984 -3.9206 -3.9206 -2.6642 -2.6642 -2.4729 -2.4729 -2.2846 -2.2846 -0.4158 -0.4158 0.5131 0.5131 0.5226 0.5226 1.6745 1.6745 2.1805 2.1805 2.2550 2.2550 2.3514 2.3514 2.7702 2.7702 7.5203 7.5203 9.2757 9.2757 9.4975 9.4975 9.5842 9.5842 k = 0.3000 0.5000-0.0000 ( 8972 PWs) bands (ev): -15.0043 -15.0043 -9.0951 -9.0951 -3.9324 -3.9324 -2.6845 -2.6845 -2.4774 -2.4774 -2.2890 -2.2890 -0.4123 -0.4123 0.5116 0.5116 0.5196 0.5196 1.6722 1.6722 2.2132 2.2132 2.2802 2.2802 2.3645 2.3645 2.7802 2.7802 7.5817 7.5817 9.1915 9.1915 9.4477 9.4477 9.5412 9.5412 k = 0.3143 0.5000-0.0000 ( 8962 PWs) bands (ev): -15.0031 -15.0031 -9.0918 -9.0918 -3.9439 -3.9439 -2.7047 -2.7047 -2.4811 -2.4811 -2.2929 -2.2929 -0.4088 -0.4088 0.5100 0.5100 0.5167 0.5167 1.6700 1.6700 2.2436 2.2436 2.3013 2.3013 2.3817 2.3817 2.7903 2.7903 7.6454 7.6454 9.1097 9.1097 9.4031 9.4031 9.5012 9.5012 k = 0.3286 0.5000-0.0000 ( 8958 PWs) bands (ev): -15.0019 -15.0019 -9.0886 -9.0886 -3.9550 -3.9550 -2.7243 -2.7243 -2.4842 -2.4842 -2.2966 -2.2966 -0.4055 -0.4055 0.5085 0.5085 0.5139 0.5139 1.6677 1.6677 2.2710 2.2710 2.3184 2.3184 2.4029 2.4029 2.8004 2.8004 7.7112 7.7112 9.0317 9.0317 9.3628 9.3628 9.4640 9.4640 k = 0.3429 0.5000-0.0000 ( 8962 PWs) bands (ev): -15.0007 -15.0007 -9.0856 -9.0856 -3.9656 -3.9656 -2.7431 -2.7431 -2.4867 -2.4867 -2.2999 -2.2999 -0.4023 -0.4023 0.5069 0.5069 0.5113 0.5113 1.6655 1.6655 2.2940 2.2940 2.3339 2.3339 2.4266 2.4266 2.8103 2.8103 7.7788 7.7788 8.9585 8.9585 9.3262 9.3262 9.4297 9.4297 k = 0.3571 0.5000-0.0000 ( 8946 PWs) bands (ev): -14.9996 -14.9996 -9.0827 -9.0827 -3.9757 -3.9757 -2.7609 -2.7609 -2.4887 -2.4887 -2.3030 -2.3030 -0.3993 -0.3993 0.5053 0.5053 0.5089 0.5089 1.6634 1.6634 2.3109 2.3109 2.3507 2.3507 2.4513 2.4513 2.8199 2.8199 7.8479 7.8479 8.8910 8.8910 9.2930 9.2930 9.3984 9.3984 k = 0.3714 0.5000-0.0000 ( 8948 PWs) bands (ev): -14.9986 -14.9986 -9.0801 -9.0801 -3.9851 -3.9851 -2.7774 -2.7774 -2.4904 -2.4904 -2.3057 -2.3057 -0.3964 -0.3964 0.5037 0.5037 0.5068 0.5068 1.6615 1.6615 2.3219 2.3219 2.3695 2.3695 2.4757 2.4757 2.8291 2.8291 7.9180 7.9180 8.8300 8.8300 9.2631 9.2631 9.3699 9.3699 k = 0.3857 0.5000-0.0000 ( 8972 PWs) bands (ev): -14.9977 -14.9977 -9.0776 -9.0776 -3.9937 -3.9937 -2.7926 -2.7926 -2.4918 -2.4918 -2.3081 -2.3081 -0.3938 -0.3938 0.5020 0.5020 0.5051 0.5051 1.6596 1.6596 2.3292 2.3292 2.3887 2.3887 2.4988 2.4988 2.8377 2.8377 7.9885 7.9885 8.7764 8.7764 9.2363 9.2363 9.3441 9.3441 k = 0.4000 0.5000-0.0000 ( 8970 PWs) bands (ev): -14.9968 -14.9968 -9.0754 -9.0754 -4.0016 -4.0016 -2.8064 -2.8064 -2.4929 -2.4929 -2.3102 -2.3102 -0.3914 -0.3914 0.5003 0.5003 0.5037 0.5037 1.6579 1.6579 2.3343 2.3343 2.4068 2.4068 2.5201 2.5201 2.8457 2.8457 8.0580 8.0580 8.7312 8.7312 9.2127 9.2127 9.3210 9.3210 k = 0.4143 0.5000-0.0000 ( 8972 PWs) bands (ev): -14.9961 -14.9961 -9.0735 -9.0735 -4.0085 -4.0085 -2.8184 -2.8184 -2.4938 -2.4938 -2.3120 -2.3120 -0.3893 -0.3893 0.4987 0.4987 0.5025 0.5025 1.6564 1.6564 2.3381 2.3381 2.4232 2.4232 2.5393 2.5393 2.8528 2.8528 8.1252 8.1252 8.6961 8.6961 9.1922 9.1922 9.3002 9.3002 k = 0.4286 0.5000-0.0000 ( 8976 PWs) bands (ev): -14.9954 -14.9954 -9.0718 -9.0718 -4.0145 -4.0145 -2.8288 -2.8288 -2.4945 -2.4945 -2.3135 -2.3135 -0.3875 -0.3875 0.4973 0.4973 0.5015 0.5015 1.6551 1.6551 2.3409 2.3409 2.4374 2.4374 2.5559 2.5559 2.8591 2.8591 8.1872 8.1872 8.6729 8.6729 9.1749 9.1749 9.2800 9.2800 k = 0.4429 0.5000-0.0000 ( 8978 PWs) bands (ev): -14.9949 -14.9949 -9.0704 -9.0704 -4.0195 -4.0195 -2.8374 -2.8374 -2.4950 -2.4950 -2.3148 -2.3148 -0.3860 -0.3860 0.4961 0.4961 0.5008 0.5008 1.6540 1.6540 2.3431 2.3431 2.4492 2.4492 2.5697 2.5697 2.8643 2.8643 8.2408 8.2408 8.6643 8.6643 9.1606 9.1606 9.2529 9.2529 k = 0.4571 0.5000-0.0000 ( 8988 PWs) bands (ev): -14.9945 -14.9945 -9.0693 -9.0693 -4.0234 -4.0234 -2.8441 -2.8441 -2.4954 -2.4954 -2.3158 -2.3158 -0.3848 -0.3848 0.4951 0.4951 0.5002 0.5002 1.6532 1.6532 2.3448 2.3448 2.4586 2.4586 2.5807 2.5807 2.8685 2.8685 8.2821 8.2821 8.6720 8.6720 9.1495 9.1495 9.1966 9.1966 k = 0.4714 0.5000-0.0000 ( 8996 PWs) bands (ev): -14.9942 -14.9942 -9.0685 -9.0685 -4.0262 -4.0262 -2.8490 -2.8490 -2.4957 -2.4957 -2.3165 -2.3165 -0.3839 -0.3839 0.4944 0.4944 0.4997 0.4997 1.6525 1.6525 2.3459 2.3459 2.4653 2.4653 2.5886 2.5886 2.8715 2.8715 8.3093 8.3093 8.6936 8.6936 9.1273 9.1273 9.1418 9.1418 k = 0.4857 0.5000-0.0000 ( 9004 PWs) bands (ev): -14.9940 -14.9940 -9.0680 -9.0680 -4.0279 -4.0279 -2.8519 -2.8519 -2.4958 -2.4958 -2.3169 -2.3169 -0.3834 -0.3834 0.4940 0.4940 0.4995 0.4995 1.6522 1.6522 2.3465 2.3465 2.4694 2.4694 2.5934 2.5934 2.8733 2.8733 8.3238 8.3238 8.7192 8.7192 9.0728 9.0728 9.1370 9.1370 k = 0.5000 0.5000-0.0000 ( 9004 PWs) bands (ev): -14.9939 -14.9939 -9.0678 -9.0678 -4.0285 -4.0285 -2.8529 -2.8529 -2.4959 -2.4959 -2.3170 -2.3170 -0.3832 -0.3832 0.4938 0.4938 0.4994 0.4994 1.6520 1.6520 2.3467 2.3467 2.4708 2.4708 2.5950 2.5950 2.8739 2.8739 8.3282 8.3282 8.7314 8.7314 9.0511 9.0511 9.1354 9.1354 k = 0.5000 0.5000-0.0000 ( 9004 PWs) bands (ev): -14.9939 -14.9939 -9.0678 -9.0678 -4.0285 -4.0285 -2.8529 -2.8529 -2.4959 -2.4959 -2.3170 -2.3170 -0.3832 -0.3832 0.4938 0.4938 0.4994 0.4994 1.6520 1.6520 2.3467 2.3467 2.4708 2.4708 2.5950 2.5950 2.8739 2.8739 8.3282 8.3282 8.7314 8.7314 9.0511 9.0511 9.1354 9.1354 k = 0.4898 0.4898-0.0000 ( 9012 PWs) bands (ev): -14.9940 -14.9940 -9.0680 -9.0680 -4.0279 -4.0279 -2.8519 -2.8519 -2.4958 -2.4958 -2.3169 -2.3169 -0.3834 -0.3834 0.4940 0.4940 0.4995 0.4995 1.6522 1.6522 2.3465 2.3465 2.4694 2.4694 2.5934 2.5934 2.8733 2.8733 8.3238 8.3238 8.7188 8.7188 9.0733 9.0733 9.1370 9.1370 k = 0.4796 0.4796-0.0000 ( 9010 PWs) bands (ev): -14.9942 -14.9942 -9.0685 -9.0685 -4.0262 -4.0262 -2.8489 -2.8489 -2.4957 -2.4957 -2.3164 -2.3164 -0.3839 -0.3839 0.4944 0.4944 0.4998 0.4998 1.6526 1.6526 2.3459 2.3459 2.4650 2.4650 2.5888 2.5888 2.8714 2.8714 8.3102 8.3102 8.6908 8.6908 9.1289 9.1289 9.1425 9.1425 k = 0.4694 0.4694-0.0000 ( 8994 PWs) bands (ev): -14.9945 -14.9945 -9.0693 -9.0693 -4.0233 -4.0233 -2.8440 -2.8440 -2.4954 -2.4954 -2.3157 -2.3157 -0.3848 -0.3848 0.4950 0.4950 0.5003 0.5003 1.6532 1.6532 2.3447 2.3447 2.4574 2.4574 2.5817 2.5817 2.8681 2.8681 8.2869 8.2869 8.6624 8.6624 9.1489 9.1489 9.2018 9.2018 k = 0.4592 0.4592-0.0000 ( 8994 PWs) bands (ev): -14.9949 -14.9949 -9.0704 -9.0704 -4.0194 -4.0194 -2.8371 -2.8371 -2.4950 -2.4950 -2.3147 -2.3147 -0.3860 -0.3860 0.4957 0.4957 0.5011 0.5011 1.6541 1.6541 2.3430 2.3430 2.4459 2.4459 2.5732 2.5732 2.8634 2.8634 8.2543 8.2543 8.6416 8.6416 9.1593 9.1593 9.2571 9.2571 k = 0.4490 0.4490-0.0000 ( 8986 PWs) bands (ev): -14.9955 -14.9955 -9.0717 -9.0717 -4.0144 -4.0144 -2.8284 -2.8284 -2.4945 -2.4945 -2.3134 -2.3134 -0.3874 -0.3874 0.4965 0.4965 0.5024 0.5024 1.6552 1.6552 2.3405 2.3405 2.4302 2.4302 2.5641 2.5641 2.8572 2.8572 8.2142 8.2142 8.6307 8.6307 9.1719 9.1719 9.2838 9.2838 k = 0.4388 0.4388-0.0000 ( 8998 PWs) bands (ev): -14.9962 -14.9962 -9.0734 -9.0734 -4.0085 -4.0085 -2.8180 -2.8180 -2.4939 -2.4939 -2.3118 -2.3118 -0.3891 -0.3891 0.4971 0.4971 0.5041 0.5041 1.6565 1.6565 2.3367 2.3367 2.4104 2.4104 2.5554 2.5554 2.8493 2.8493 8.1695 8.1695 8.6289 8.6289 9.1864 9.1864 9.3064 9.3064 k = 0.4286 0.4286-0.0000 ( 8980 PWs) bands (ev): -14.9970 -14.9970 -9.0752 -9.0752 -4.0017 -4.0017 -2.8059 -2.8059 -2.4931 -2.4931 -2.3098 -2.3098 -0.3909 -0.3909 0.4977 0.4977 0.5062 0.5062 1.6580 1.6580 2.3305 2.3305 2.3878 2.3878 2.5476 2.5476 2.8397 2.8397 8.1230 8.1230 8.6348 8.6348 9.2022 9.2022 9.3316 9.3316 k = 0.4184 0.4184-0.0000 ( 8976 PWs) bands (ev): -14.9979 -14.9979 -9.0772 -9.0772 -3.9941 -3.9941 -2.7923 -2.7923 -2.4922 -2.4922 -2.3074 -2.3074 -0.3929 -0.3929 0.4983 0.4983 0.5086 0.5086 1.6597 1.6597 2.3180 2.3180 2.3666 2.3666 2.5405 2.5405 2.8285 2.8285 8.0767 8.0767 8.6467 8.6467 9.2193 9.2193 9.3610 9.3610 k = 0.4082 0.4082-0.0000 ( 8976 PWs) bands (ev): -14.9989 -14.9989 -9.0794 -9.0794 -3.9858 -3.9858 -2.7773 -2.7773 -2.4912 -2.4912 -2.3047 -2.3047 -0.3950 -0.3950 0.4988 0.4988 0.5114 0.5114 1.6615 1.6615 2.2943 2.2943 2.3524 2.3524 2.5343 2.5343 2.8155 2.8155 8.0323 8.0323 8.6634 8.6634 9.2372 9.2372 9.3951 9.3951 k = 0.3980 0.3980-0.0000 ( 8980 PWs) bands (ev): -15.0001 -15.0001 -9.0816 -9.0816 -3.9770 -3.9770 -2.7611 -2.7611 -2.4900 -2.4900 -2.3015 -2.3015 -0.3971 -0.3971 0.4993 0.4993 0.5143 0.5143 1.6634 1.6634 2.2610 2.2610 2.3444 2.3444 2.5286 2.5286 2.8009 2.8009 7.9909 7.9909 8.6843 8.6843 9.2560 9.2560 9.4341 9.4341 k = 0.3878 0.3878-0.0000 ( 8978 PWs) bands (ev): -15.0013 -15.0013 -9.0839 -9.0839 -3.9677 -3.9677 -2.7440 -2.7440 -2.4886 -2.4886 -2.2979 -2.2979 -0.3991 -0.3991 0.4998 0.4998 0.5174 0.5174 1.6655 1.6655 2.2225 2.2225 2.3391 2.3391 2.5233 2.5233 2.7847 2.7847 7.9530 7.9530 8.7085 8.7085 9.2757 9.2757 9.4778 9.4778 k = 0.3776 0.3776-0.0000 ( 8972 PWs) bands (ev): -15.0027 -15.0027 -9.0861 -9.0861 -3.9580 -3.9580 -2.7261 -2.7261 -2.4870 -2.4870 -2.2938 -2.2938 -0.4010 -0.4010 0.5004 0.5004 0.5205 0.5205 1.6676 1.6676 2.1812 2.1812 2.3347 2.3347 2.5184 2.5184 2.7669 2.7669 7.9193 7.9193 8.7357 8.7357 9.2964 9.2964 9.5263 9.5263 k = 0.3673 0.3673-0.0000 ( 8960 PWs) bands (ev): -15.0042 -15.0042 -9.0884 -9.0884 -3.9482 -3.9482 -2.7078 -2.7078 -2.4852 -2.4852 -2.2892 -2.2892 -0.4027 -0.4027 0.5009 0.5009 0.5237 0.5237 1.6697 1.6697 2.1383 2.1383 2.3307 2.3307 2.5135 2.5135 2.7478 2.7478 7.8900 7.8900 8.7654 8.7654 9.3182 9.3182 9.5793 9.5793 k = 0.3571 0.3571-0.0000 ( 8964 PWs) bands (ev): -15.0058 -15.0058 -9.0905 -9.0905 -3.9381 -3.9381 -2.6892 -2.6892 -2.4832 -2.4832 -2.2841 -2.2841 -0.4042 -0.4042 0.5014 0.5014 0.5269 0.5269 1.6718 1.6718 2.0948 2.0948 2.3269 2.3269 2.5088 2.5088 2.7274 2.7274 7.8653 7.8653 8.7973 8.7973 9.3410 9.3410 9.6369 9.6369 k = 0.3469 0.3469-0.0000 ( 8952 PWs) bands (ev): -15.0075 -15.0075 -9.0925 -9.0925 -3.9281 -3.9281 -2.6707 -2.6707 -2.4809 -2.4809 -2.2784 -2.2784 -0.4053 -0.4053 0.5019 0.5019 0.5301 0.5301 1.6739 1.6739 2.0514 2.0514 2.3232 2.3232 2.5042 2.5042 2.7059 2.7059 7.8454 7.8454 8.8311 8.8311 9.3649 9.3649 9.6987 9.6987 k = 0.3367 0.3367-0.0000 ( 8950 PWs) bands (ev): -15.0093 -15.0093 -9.0943 -9.0943 -3.9181 -3.9181 -2.6525 -2.6525 -2.4784 -2.4784 -2.2721 -2.2721 -0.4062 -0.4062 0.5025 0.5025 0.5331 0.5331 1.6760 1.6760 2.0089 2.0089 2.3194 2.3194 2.4995 2.4995 2.6834 2.6834 7.8304 7.8304 8.8664 8.8664 9.3900 9.3900 9.7647 9.7647 k = 0.3265 0.3265-0.0000 ( 8960 PWs) bands (ev): -15.0111 -15.0111 -9.0959 -9.0959 -3.9082 -3.9082 -2.6350 -2.6350 -2.4757 -2.4757 -2.2654 -2.2654 -0.4067 -0.4067 0.5030 0.5030 0.5360 0.5360 1.6780 1.6780 1.9678 1.9678 2.3157 2.3157 2.4948 2.4948 2.6601 2.6601 7.8203 7.8203 8.9028 8.9028 9.4163 9.4163 9.8347 9.8347 k = 0.3163 0.3163-0.0000 ( 8966 PWs) bands (ev): -15.0131 -15.0131 -9.0972 -9.0972 -3.8986 -3.8986 -2.6183 -2.6183 -2.4726 -2.4726 -2.2581 -2.2581 -0.4067 -0.4067 0.5035 0.5035 0.5387 0.5387 1.6799 1.6799 1.9288 1.9288 2.3121 2.3121 2.4901 2.4901 2.6362 2.6362 7.8150 7.8150 8.9398 8.9398 9.4437 9.4437 9.9086 9.9086 k = 0.3061 0.3061-0.0000 ( 8962 PWs) bands (ev): -15.0151 -15.0151 -9.0982 -9.0982 -3.8893 -3.8893 -2.6026 -2.6026 -2.4693 -2.4693 -2.2505 -2.2505 -0.4063 -0.4063 0.5040 0.5040 0.5412 0.5412 1.6817 1.6817 1.8924 1.8924 2.3084 2.3084 2.4852 2.4852 2.6119 2.6119 7.8146 7.8146 8.9770 8.9770 9.4723 9.4723 9.9863 9.9863 k = 0.2959 0.2959-0.0000 ( 8964 PWs) bands (ev): -15.0172 -15.0172 -9.0989 -9.0989 -3.8804 -3.8804 -2.5882 -2.5882 -2.4658 -2.4658 -2.2427 -2.2427 -0.4054 -0.4054 0.5045 0.5045 0.5433 0.5433 1.6833 1.6833 1.8590 1.8590 2.3048 2.3048 2.4800 2.4800 2.5876 2.5876 7.8190 7.8190 9.0139 9.0139 9.5019 9.5019 10.0676 10.0676 k = 0.2857 0.2857-0.0000 ( 8966 PWs) bands (ev): -15.0194 -15.0194 -9.0993 -9.0993 -3.8719 -3.8719 -2.5750 -2.5750 -2.4620 -2.4620 -2.2349 -2.2349 -0.4040 -0.4040 0.5050 0.5050 0.5452 0.5452 1.6849 1.6849 1.8292 1.8292 2.3012 2.3012 2.4744 2.4744 2.5636 2.5636 7.8281 7.8281 9.0497 9.0497 9.5327 9.5327 10.1524 10.1524 k = 0.2755 0.2755-0.0000 ( 8960 PWs) bands (ev): -15.0217 -15.0217 -9.0993 -9.0993 -3.8640 -3.8640 -2.5632 -2.5632 -2.4580 -2.4580 -2.2272 -2.2272 -0.4021 -0.4021 0.5054 0.5054 0.5467 0.5467 1.6863 1.6863 1.8033 1.8033 2.2977 2.2977 2.4679 2.4679 2.5405 2.5405 7.8419 7.8419 9.0836 9.0836 9.5644 9.5644 10.2404 10.2404 k = 0.2653 0.2653-0.0000 ( 8964 PWs) bands (ev): -15.0239 -15.0239 -9.0990 -9.0990 -3.8565 -3.8565 -2.5526 -2.5526 -2.4539 -2.4539 -2.2200 -2.2200 -0.3997 -0.3997 0.5058 0.5058 0.5479 0.5479 1.6877 1.6877 1.7815 1.7815 2.2943 2.2943 2.4598 2.4598 2.5193 2.5193 7.8601 7.8601 9.1148 9.1148 9.5971 9.5971 10.3314 10.3314 k = 0.2551 0.2551-0.0000 ( 8960 PWs) bands (ev): -15.0263 -15.0263 -9.0982 -9.0982 -3.8497 -3.8497 -2.5431 -2.5431 -2.4497 -2.4497 -2.2135 -2.2135 -0.3968 -0.3968 0.5062 0.5062 0.5486 0.5486 1.6892 1.6892 1.7640 1.7640 2.2909 2.2909 2.4486 2.4486 2.5014 2.5014 7.8828 7.8828 9.1422 9.1422 9.6306 9.6306 10.4250 10.4250 k = 0.2449 0.2449-0.0000 ( 8968 PWs) bands (ev): -15.0286 -15.0286 -9.0971 -9.0971 -3.8434 -3.8434 -2.5348 -2.5348 -2.4455 -2.4455 -2.2079 -2.2079 -0.3934 -0.3934 0.5066 0.5066 0.5490 0.5490 1.6908 1.6908 1.7509 1.7509 2.2876 2.2876 2.4336 2.4336 2.4881 2.4881 7.9098 7.9098 9.1647 9.1647 9.6649 9.6649 10.5208 10.5208 k = 0.2347 0.2347-0.0000 ( 8978 PWs) bands (ev): -15.0310 -15.0310 -9.0956 -9.0956 -3.8378 -3.8378 -2.5274 -2.5274 -2.4413 -2.4413 -2.2035 -2.2035 -0.3895 -0.3895 0.5069 0.5069 0.5489 0.5489 1.6927 1.6927 1.7420 1.7420 2.2843 2.2843 2.4154 2.4154 2.4789 2.4789 7.9408 7.9408 9.1811 9.1811 9.6998 9.6998 10.6177 10.6177 k = 0.2245 0.2245-0.0000 ( 8981 PWs) bands (ev): -15.0334 -15.0334 -9.0937 -9.0937 -3.8328 -3.8328 -2.5208 -2.5208 -2.4371 -2.4371 -2.2004 -2.2004 -0.3852 -0.3852 0.5072 0.5072 0.5485 0.5485 1.6948 1.6948 1.7376 1.7376 2.2810 2.2810 2.3957 2.3957 2.4723 2.4723 7.9758 7.9758 9.1902 9.1902 9.7353 9.7353 10.7109 10.7109 k = 0.2143 0.2143-0.0000 ( 8977 PWs) bands (ev): -15.0358 -15.0358 -9.0915 -9.0915 -3.8284 -3.8284 -2.5150 -2.5150 -2.4329 -2.4329 -2.1987 -2.1987 -0.3804 -0.3804 0.5074 0.5074 0.5476 0.5476 1.6967 1.6967 1.7377 1.7377 2.2777 2.2777 2.3759 2.3759 2.4672 2.4672 8.0146 8.0146 9.1912 9.1912 9.7712 9.7712 10.6799 10.6799 k = 0.2041 0.2041-0.0000 ( 8977 PWs) bands (ev): -15.0381 -15.0381 -9.0890 -9.0890 -3.8247 -3.8247 -2.5099 -2.5099 -2.4288 -2.4288 -2.1986 -2.1986 -0.3753 -0.3753 0.5077 0.5077 0.5464 0.5464 1.6979 1.6979 1.7426 1.7426 2.2741 2.2741 2.3571 2.3571 2.4631 2.4631 8.0568 8.0568 9.1836 9.1836 9.8074 9.8074 10.6454 10.6454 k = 0.1939 0.1939-0.0000 ( 8987 PWs) bands (ev): -15.0405 -15.0405 -9.0862 -9.0862 -3.8216 -3.8216 -2.5053 -2.5053 -2.4248 -2.4248 -2.2000 -2.2000 -0.3699 -0.3699 0.5079 0.5079 0.5449 0.5449 1.6984 1.6984 1.7521 1.7521 2.2702 2.2702 2.3398 2.3398 2.4596 2.4596 8.1023 8.1023 9.1673 9.1673 9.8438 9.8438 10.6222 10.6222 k = 0.1837 0.1837-0.0000 ( 8991 PWs) bands (ev): -15.0428 -15.0428 -9.0831 -9.0831 -3.8191 -3.8191 -2.5013 -2.5013 -2.4207 -2.4207 -2.2030 -2.2030 -0.3642 -0.3642 0.5080 0.5080 0.5430 0.5430 1.6982 1.6982 1.7654 1.7654 2.2657 2.2657 2.3249 2.3249 2.4566 2.4566 8.1509 8.1509 9.1430 9.1430 9.8802 9.8802 10.6082 10.6082 k = 0.1735 0.1735-0.0000 ( 8995 PWs) bands (ev): -15.0451 -15.0451 -9.0798 -9.0798 -3.8172 -3.8172 -2.4979 -2.4979 -2.4167 -2.4167 -2.2073 -2.2073 -0.3583 -0.3583 0.5082 0.5082 0.5409 0.5409 1.6977 1.6977 1.7815 1.7815 2.2605 2.2605 2.3127 2.3127 2.4540 2.4540 8.2021 8.2021 9.1117 9.1117 9.9164 9.9164 10.5990 10.5990 k = 0.1633 0.1633-0.0000 ( 8999 PWs) bands (ev): -15.0473 -15.0473 -9.0764 -9.0764 -3.8158 -3.8158 -2.4950 -2.4950 -2.4126 -2.4126 -2.2129 -2.2129 -0.3522 -0.3522 0.5083 0.5083 0.5386 0.5386 1.6970 1.6970 1.7997 1.7997 2.2550 2.2550 2.3034 2.3034 2.4519 2.4519 8.2556 8.2556 9.0747 9.0747 9.9523 9.9523 10.5867 10.5867 k = 0.1531 0.1531-0.0000 ( 9007 PWs) bands (ev): -15.0494 -15.0494 -9.0728 -9.0728 -3.8150 -3.8150 -2.4925 -2.4925 -2.4085 -2.4085 -2.2197 -2.2197 -0.3460 -0.3460 0.5083 0.5083 0.5361 0.5361 1.6962 1.6962 1.8188 1.8188 2.2497 2.2497 2.2969 2.2969 2.4501 2.4501 8.3110 8.3110 9.0335 9.0335 9.9876 9.9876 10.5631 10.5631 k = 0.1429 0.1429-0.0000 ( 9003 PWs) bands (ev): -15.0515 -15.0515 -9.0691 -9.0691 -3.8145 -3.8145 -2.4905 -2.4905 -2.4044 -2.4044 -2.2273 -2.2273 -0.3397 -0.3397 0.5084 0.5084 0.5335 0.5335 1.6953 1.6953 1.8379 1.8379 2.2458 2.2458 2.2925 2.2925 2.4487 2.4487 8.3678 8.3678 8.9897 8.9897 10.0221 10.0221 10.5291 10.5291 k = 0.1327 0.1327-0.0000 ( 9013 PWs) bands (ev): -15.0535 -15.0535 -9.0653 -9.0653 -3.8145 -3.8145 -2.4890 -2.4890 -2.4002 -2.4002 -2.2357 -2.2357 -0.3335 -0.3335 0.5084 0.5084 0.5308 0.5308 1.6944 1.6944 1.8560 1.8560 2.2441 2.2441 2.2898 2.2898 2.4478 2.4478 8.4254 8.4254 8.9445 8.9445 10.0555 10.0555 10.4905 10.4905 k = 0.1224 0.1224-0.0000 ( 9021 PWs) bands (ev): -15.0554 -15.0554 -9.0616 -9.0616 -3.8149 -3.8149 -2.4879 -2.4879 -2.3960 -2.3960 -2.2445 -2.2445 -0.3273 -0.3273 0.5084 0.5084 0.5281 0.5281 1.6935 1.6935 1.8722 1.8722 2.2452 2.2452 2.2883 2.2883 2.4474 2.4474 8.4833 8.4833 8.8992 8.8992 10.0874 10.0874 10.4517 10.4517 k = 0.1122 0.1122-0.0000 ( 9019 PWs) bands (ev): -15.0572 -15.0572 -9.0579 -9.0579 -3.8155 -3.8155 -2.4872 -2.4872 -2.3917 -2.3917 -2.2537 -2.2537 -0.3213 -0.3213 0.5084 0.5084 0.5254 0.5254 1.6926 1.6926 1.8857 1.8857 2.2491 2.2491 2.2881 2.2881 2.4476 2.4476 8.5406 8.5406 8.8548 8.8548 10.1175 10.1175 10.4152 10.4152 k = 0.1020 0.1020-0.0000 ( 9031 PWs) bands (ev): -15.0588 -15.0588 -9.0544 -9.0544 -3.8164 -3.8164 -2.4869 -2.4869 -2.3874 -2.3874 -2.2630 -2.2630 -0.3156 -0.3156 0.5083 0.5083 0.5228 0.5228 1.6917 1.6917 1.8963 1.8963 2.2551 2.2551 2.2894 2.2894 2.4485 2.4485 8.5965 8.5965 8.8121 8.8121 10.1452 10.1452 10.3831 10.3831 k = 0.0918 0.0918-0.0000 ( 9025 PWs) bands (ev): -15.0603 -15.0603 -9.0510 -9.0510 -3.8174 -3.8174 -2.4868 -2.4868 -2.3831 -2.3831 -2.2722 -2.2722 -0.3101 -0.3101 0.5083 0.5083 0.5203 0.5203 1.6909 1.6909 1.9039 1.9039 2.2615 2.2615 2.2932 2.2932 2.4502 2.4502 8.6500 8.6500 8.7721 8.7721 10.1698 10.1698 10.3570 10.3570 k = 0.0816 0.0816-0.0000 ( 9027 PWs) bands (ev): -15.0617 -15.0617 -9.0478 -9.0478 -3.8185 -3.8185 -2.4871 -2.4871 -2.3787 -2.3787 -2.2813 -2.2813 -0.3050 -0.3050 0.5082 0.5082 0.5179 0.5179 1.6901 1.6901 1.9088 1.9088 2.2666 2.2666 2.3002 2.3002 2.4527 2.4527 8.6985 8.6985 8.7368 8.7368 10.1902 10.1902 10.3387 10.3387 k = 0.0714 0.0714-0.0000 ( 9023 PWs) bands (ev): -15.0630 -15.0630 -9.0448 -9.0448 -3.8197 -3.8197 -2.4875 -2.4875 -2.3742 -2.3742 -2.2900 -2.2900 -0.3004 -0.3004 0.5081 0.5081 0.5157 0.5157 1.6893 1.6893 1.9117 1.9117 2.2697 2.2697 2.3098 2.3098 2.4562 2.4562 8.6978 8.6978 8.7501 8.7501 10.2051 10.2051 10.3299 10.3299 k = 0.0612 0.0612-0.0000 ( 9019 PWs) bands (ev): -15.0641 -15.0641 -9.0422 -9.0422 -3.8208 -3.8208 -2.4881 -2.4881 -2.3698 -2.3698 -2.2983 -2.2983 -0.2962 -0.2962 0.5080 0.5080 0.5138 0.5138 1.6886 1.6886 1.9130 1.9130 2.2714 2.2714 2.3202 2.3202 2.4607 2.4607 8.6689 8.6689 8.7904 8.7904 10.2140 10.2140 10.3316 10.3316 k = 0.0510 0.0510-0.0000 ( 9019 PWs) bands (ev): -15.0650 -15.0650 -9.0399 -9.0399 -3.8219 -3.8219 -2.4887 -2.4887 -2.3653 -2.3653 -2.3061 -2.3061 -0.2925 -0.2925 0.5078 0.5078 0.5121 0.5121 1.6880 1.6880 1.9132 1.9132 2.2724 2.2724 2.3300 2.3300 2.4658 2.4658 8.6433 8.6433 8.8258 8.8258 10.2180 10.2180 10.3422 10.3422 k = 0.0408 0.0408-0.0000 ( 9017 PWs) bands (ev): -15.0658 -15.0658 -9.0380 -9.0380 -3.8228 -3.8228 -2.4894 -2.4894 -2.3607 -2.3607 -2.3134 -2.3134 -0.2895 -0.2895 0.5075 0.5075 0.5109 0.5109 1.6875 1.6875 1.9128 1.9128 2.2730 2.2730 2.3383 2.3383 2.4713 2.4713 8.6219 8.6219 8.8552 8.8552 10.2192 10.2192 10.3594 10.3594 k = 0.0306 0.0306-0.0000 ( 9033 PWs) bands (ev): -15.0664 -15.0664 -9.0365 -9.0365 -3.8236 -3.8236 -2.4899 -2.4899 -2.3561 -2.3561 -2.3202 -2.3202 -0.2871 -0.2871 0.5072 0.5072 0.5100 0.5100 1.6871 1.6871 1.9122 1.9122 2.2734 2.2734 2.3446 2.3446 2.4765 2.4765 8.6050 8.6050 8.8781 8.8781 10.2190 10.2190 10.3798 10.3798 k = 0.0204 0.0204-0.0000 ( 9043 PWs) bands (ev): -15.0668 -15.0668 -9.0354 -9.0354 -3.8242 -3.8242 -2.4904 -2.4904 -2.3515 -2.3515 -2.3263 -2.3263 -0.2853 -0.2853 0.5068 0.5068 0.5095 0.5095 1.6868 1.6868 1.9116 1.9116 2.2736 2.2736 2.3491 2.3491 2.4807 2.4807 8.5928 8.5928 8.8944 8.8944 10.2183 10.2183 10.3929 10.3929 k = 0.0102 0.0102-0.0000 ( 9059 PWs) bands (ev): -15.0671 -15.0671 -9.0347 -9.0347 -3.8246 -3.8246 -2.4907 -2.4907 -2.3473 -2.3473 -2.3314 -2.3314 -0.2843 -0.2843 0.5065 0.5065 0.5093 0.5093 1.6866 1.6866 1.9112 1.9112 2.2737 2.2737 2.3517 2.3517 2.4835 2.4835 8.5855 8.5855 8.9042 8.9042 10.2176 10.2176 10.3931 10.3931 k = 0.0000 0.0000 0.0000 ( 9059 PWs) bands (ev): -15.0672 -15.0672 -9.0345 -9.0345 -3.8247 -3.8247 -2.4908 -2.4908 -2.3452 -2.3452 -2.3339 -2.3339 -0.2839 -0.2839 0.5064 0.5064 0.5092 0.5092 1.6866 1.6866 1.9110 1.9110 2.2738 2.2738 2.3525 2.3525 2.4845 2.4845 8.5830 8.5830 8.9074 8.9074 10.2174 10.2174 10.3930 10.3930 k = 0.0000 0.0000 0.0000 ( 9059 PWs) bands (ev): -15.0672 -15.0672 -9.0345 -9.0345 -3.8247 -3.8247 -2.4908 -2.4908 -2.3452 -2.3452 -2.3339 -2.3339 -0.2839 -0.2839 0.5064 0.5064 0.5092 0.5092 1.6866 1.6866 1.9110 1.9110 2.2738 2.2738 2.3525 2.3525 2.4845 2.4845 8.5830 8.5830 8.9074 8.9074 10.2174 10.2174 10.3930 10.3930 k = 0.0000 0.0000 0.0143 ( 9051 PWs) bands (ev): -15.0671 -15.0671 -9.0340 -9.0340 -3.8251 -3.8251 -2.4976 -2.4976 -2.3453 -2.3453 -2.3334 -2.3334 -0.2767 -0.2767 0.5053 0.5053 0.5086 0.5086 1.6836 1.6836 1.9103 1.9103 2.2737 2.2737 2.3571 2.3571 2.4900 2.4900 8.5832 8.5832 8.9089 8.9089 10.1866 10.1866 10.3741 10.3741 k = 0.0000 0.0000 0.0287 ( 9035 PWs) bands (ev): -15.0671 -15.0671 -9.0326 -9.0326 -3.8262 -3.8262 -2.5173 -2.5173 -2.3455 -2.3455 -2.3322 -2.3322 -0.2555 -0.2555 0.5021 0.5021 0.5069 0.5069 1.6750 1.6750 1.9083 1.9083 2.2736 2.2736 2.3705 2.3705 2.5063 2.5063 8.5837 8.5837 8.9135 8.9135 10.1049 10.1049 10.3209 10.3209 k = 0.0000 0.0000 0.0430 ( 9028 PWs) bands (ev): -15.0670 -15.0670 -9.0303 -9.0303 -3.8281 -3.8281 -2.5481 -2.5481 -2.3459 -2.3459 -2.3314 -2.3314 -0.2211 -0.2211 0.4970 0.4970 0.5040 0.5040 1.6615 1.6615 1.9054 1.9054 2.2735 2.2735 2.3923 2.3923 2.5324 2.5324 8.5844 8.5844 8.9209 8.9209 9.9946 9.9946 10.2415 10.2415 k = 0.0000 0.0000 0.0573 ( 9020 PWs) bands (ev): -15.0668 -15.0668 -9.0271 -9.0271 -3.8308 -3.8308 -2.5883 -2.5883 -2.3465 -2.3465 -2.3315 -2.3315 -0.1749 -0.1749 0.4902 0.4902 0.4999 0.4999 1.6440 1.6440 1.9023 1.9023 2.2735 2.2735 2.4216 2.4216 2.5672 2.5672 8.5855 8.5855 8.9312 8.9312 9.8716 9.8716 10.1443 10.1443 k = 0.0000 0.0000 0.0716 ( 9028 PWs) bands (ev): -15.0667 -15.0667 -9.0231 -9.0231 -3.8343 -3.8343 -2.6361 -2.6361 -2.3472 -2.3472 -2.3328 -2.3328 -0.1186 -0.1186 0.4823 0.4823 0.4948 0.4948 1.6237 1.6237 1.8994 1.8994 2.2735 2.2735 2.4576 2.4576 2.6097 2.6097 8.5869 8.5869 8.9440 8.9440 9.7435 9.7435 10.0354 10.0354 k = 0.0000 0.0000 0.0860 ( 9032 PWs) bands (ev): -15.0665 -15.0665 -9.0182 -9.0182 -3.8387 -3.8387 -2.6898 -2.6898 -2.3480 -2.3480 -2.3354 -2.3354 -0.0542 -0.0542 0.4739 0.4739 0.4887 0.4887 1.6015 1.6015 1.8973 1.8973 2.2736 2.2736 2.4994 2.4994 2.6585 2.6585 8.5886 8.5886 8.9587 8.9587 9.6140 9.6140 9.9193 9.9193 k = 0.0000 0.0000 0.1003 ( 9032 PWs) bands (ev): -15.0662 -15.0662 -9.0126 -9.0126 -3.8439 -3.8439 -2.7481 -2.7481 -2.3490 -2.3490 -2.3392 -2.3392 0.0158 0.0158 0.4662 0.4662 0.4816 0.4816 1.5783 1.5783 1.8963 1.8963 2.2739 2.2739 2.5462 2.5462 2.7127 2.7127 8.5905 8.5905 8.9744 8.9744 9.4860 9.4860 9.7988 9.7988 k = 0.0000 0.0000 0.1146 ( 9020 PWs) bands (ev): -15.0659 -15.0659 -9.0062 -9.0062 -3.8501 -3.8501 -2.8094 -2.8094 -2.3501 -2.3501 -2.3440 -2.3440 0.0881 0.0881 0.4613 0.4613 0.4736 0.4736 1.5549 1.5549 1.8967 1.8967 2.2742 2.2742 2.5973 2.5973 2.7714 2.7714 8.5927 8.5927 8.9885 8.9885 9.3625 9.3625 9.6759 9.6759 k = 0.0000 0.0000 0.1289 ( 9016 PWs) bands (ev): -15.0656 -15.0656 -8.9990 -8.9990 -3.8574 -3.8574 -2.8728 -2.8728 -2.3514 -2.3514 -2.3497 -2.3497 0.1575 0.1575 0.4635 0.4635 0.4648 0.4648 1.5316 1.5316 1.8984 1.8984 2.2746 2.2746 2.6522 2.6522 2.8338 2.8338 8.5952 8.5952 8.9940 8.9940 9.2514 9.2514 9.5517 9.5517 k = 0.0000 0.0000 0.1433 ( 9024 PWs) bands (ev): -15.0653 -15.0653 -8.9913 -8.9913 -3.8658 -3.8658 -2.9369 -2.9369 -2.3561 -2.3561 -2.3527 -2.3527 0.2154 0.2154 0.4553 0.4553 0.4802 0.4802 1.5090 1.5090 1.9014 1.9014 2.2750 2.2750 2.7103 2.7103 2.8994 2.8994 8.5978 8.5978 8.9689 8.9689 9.1746 9.1746 9.4273 9.4273 k = 0.0000 0.0000 0.1576 ( 9016 PWs) bands (ev): -15.0650 -15.0650 -8.9830 -8.9830 -3.8754 -3.8754 -3.0009 -3.0009 -2.3631 -2.3631 -2.3541 -2.3541 0.2522 0.2522 0.4452 0.4452 0.5205 0.5205 1.4874 1.4874 1.9058 1.9058 2.2756 2.2756 2.7711 2.7711 2.9675 2.9675 8.6006 8.6006 8.8917 8.8917 9.1538 9.1538 9.3034 9.3034 k = 0.0000 0.0000 0.1719 ( 8996 PWs) bands (ev): -15.0646 -15.0646 -8.9742 -8.9742 -3.8863 -3.8863 -3.0638 -3.0638 -2.3706 -2.3706 -2.3556 -2.3556 0.2666 0.2666 0.4346 0.4346 0.5848 0.5848 1.4668 1.4668 1.9113 1.9113 2.2761 2.2761 2.8341 2.8341 3.0376 3.0376 8.6036 8.6036 8.7853 8.7853 9.1663 9.1663 9.1805 9.1805 k = 0.0000 0.0000 0.1862 ( 8996 PWs) bands (ev): -15.0642 -15.0642 -8.9650 -8.9650 -3.8987 -3.8987 -3.1248 -3.1248 -2.3785 -2.3785 -2.3572 -2.3572 0.2661 0.2661 0.4236 0.4236 0.6649 0.6649 1.4475 1.4475 1.9178 1.9178 2.2767 2.2767 2.8989 2.8989 3.1093 3.1093 8.6067 8.6067 8.6705 8.6705 9.0592 9.0592 9.1911 9.1911 k = 0.0000 0.0000 0.2006 ( 9012 PWs) bands (ev): -15.0638 -15.0638 -8.9554 -8.9554 -3.9126 -3.9126 -3.1833 -3.1833 -2.3866 -2.3866 -2.3588 -2.3588 0.2578 0.2578 0.4125 0.4125 0.7532 0.7532 1.4295 1.4295 1.9251 1.9251 2.2774 2.2774 2.9649 2.9649 3.1821 3.1821 8.5545 8.5545 8.6099 8.6099 8.9399 8.9399 9.2211 9.2211 k = 0.0000 0.0000 0.2149 ( 9012 PWs) bands (ev): -15.0634 -15.0634 -8.9457 -8.9457 -3.9281 -3.9281 -3.2385 -3.2385 -2.3948 -2.3948 -2.3604 -2.3604 0.2456 0.2456 0.4012 0.4012 0.8452 0.8452 1.4128 1.4128 1.9330 1.9330 2.2780 2.2780 3.0319 3.0319 3.2554 3.2554 8.4396 8.4396 8.6132 8.6132 8.8230 8.8230 9.2538 9.2538 k = 0.0000 0.0000 0.2292 ( 9016 PWs) bands (ev): -15.0630 -15.0630 -8.9357 -8.9357 -3.9454 -3.9454 -3.2899 -3.2899 -2.4030 -2.4030 -2.3621 -2.3621 0.2315 0.2315 0.3899 0.3899 0.9384 0.9384 1.3975 1.3975 1.9412 1.9412 2.2787 2.2787 3.0992 3.0992 3.3290 3.3290 8.3271 8.3271 8.6162 8.6162 8.7091 8.7091 9.2881 9.2881 k = 0.0000 0.0000 0.2436 ( 9032 PWs) bands (ev): -15.0626 -15.0626 -8.9258 -8.9258 -3.9643 -3.9643 -3.3372 -3.3372 -2.4112 -2.4112 -2.3638 -2.3638 0.2166 0.2166 0.3787 0.3787 1.0312 1.0312 1.3835 1.3835 1.9495 1.9495 2.2794 2.2794 3.1664 3.1664 3.4023 3.4023 8.2178 8.2178 8.5951 8.5951 8.6225 8.6225 9.3231 9.3231 k = 0.0000 0.0000 0.2579 ( 9036 PWs) bands (ev): -15.0622 -15.0622 -8.9159 -8.9159 -3.9847 -3.9847 -3.3800 -3.3800 -2.4192 -2.4192 -2.3654 -2.3654 0.2015 0.2015 0.3678 0.3678 1.1224 1.1224 1.3708 1.3708 1.9577 1.9577 2.2800 2.2800 3.2330 3.2330 3.4747 3.4747 8.1122 8.1122 8.4897 8.4897 8.6240 8.6240 9.3583 9.3583 k = 0.0000 0.0000 0.2722 ( 9036 PWs) bands (ev): -15.0618 -15.0618 -8.9062 -8.9062 -4.0065 -4.0065 -3.4183 -3.4183 -2.4269 -2.4269 -2.3670 -2.3670 0.1867 0.1867 0.3573 0.3573 1.2112 1.2112 1.3593 1.3593 1.9655 1.9655 2.2807 2.2807 3.2985 3.2985 3.5458 3.5458 8.0109 8.0109 8.3867 8.3867 8.6271 8.6271 9.3933 9.3933 k = 0.0000 0.0000 0.2865 ( 9028 PWs) bands (ev): -15.0615 -15.0615 -8.8967 -8.8967 -4.0291 -4.0291 -3.4520 -3.4520 -2.4343 -2.4343 -2.3685 -2.3685 0.1724 0.1724 0.3473 0.3473 1.2968 1.2968 1.3490 1.3490 1.9727 1.9727 2.2813 2.2813 3.3624 3.3624 3.6150 3.6150 7.9143 7.9143 8.2882 8.2882 8.6302 8.6302 9.4276 9.4276 k = 0.0000 0.0000 0.3009 ( 9008 PWs) bands (ev): -15.0611 -15.0611 -8.8876 -8.8876 -4.0523 -4.0523 -3.4814 -3.4814 -2.4413 -2.4413 -2.3700 -2.3700 0.1589 0.1589 0.3378 0.3378 1.3398 1.3398 1.3786 1.3786 1.9791 1.9791 2.2819 2.2819 3.4239 3.4239 3.6817 3.6817 7.8232 7.8232 8.1949 8.1949 8.6333 8.6333 9.4609 9.4609 k = 0.0000 0.0000 0.3152 ( 9000 PWs) bands (ev): -15.0608 -15.0608 -8.8790 -8.8790 -4.0754 -4.0754 -3.5066 -3.5066 -2.4479 -2.4479 -2.3714 -2.3714 0.1463 0.1463 0.3289 0.3289 1.3317 1.3317 1.4559 1.4559 1.9843 1.9843 2.2824 2.2824 3.4825 3.4825 3.7452 3.7452 7.7379 7.7379 8.1074 8.1074 8.6361 8.6361 9.4930 9.4930 k = 0.0000 0.0000 0.3295 ( 8984 PWs) bands (ev): -15.0605 -15.0605 -8.8710 -8.8710 -4.0980 -4.0980 -3.5281 -3.5281 -2.4539 -2.4539 -2.3727 -2.3727 0.1347 0.1347 0.3208 0.3208 1.3246 1.3246 1.5283 1.5283 1.9881 1.9881 2.2830 2.2830 3.5375 3.5375 3.8049 3.8049 7.6592 7.6592 8.0264 8.0264 8.6388 8.6388 9.5236 9.5236 k = 0.0000 0.0000 0.3438 ( 8992 PWs) bands (ev): -15.0602 -15.0602 -8.8637 -8.8637 -4.1193 -4.1193 -3.5460 -3.5460 -2.4593 -2.4593 -2.3738 -2.3738 0.1244 0.1244 0.3135 0.3135 1.3184 1.3184 1.5952 1.5952 1.9903 1.9903 2.2834 2.2834 3.5883 3.5883 3.8599 3.8599 7.5877 7.5877 7.9526 7.9526 8.6413 8.6413 9.5524 9.5524 k = 0.0000 0.0000 0.3582 ( 9012 PWs) bands (ev): -15.0600 -15.0600 -8.8571 -8.8571 -4.1390 -4.1390 -3.5609 -3.5609 -2.4641 -2.4641 -2.3749 -2.3749 0.1152 0.1152 0.3070 0.3070 1.3132 1.3132 1.6564 1.6564 1.9905 1.9905 2.2839 2.2839 3.6342 3.6342 3.9097 3.9097 7.5240 7.5240 7.8866 7.8866 8.6435 8.6435 9.5791 9.5791 k = 0.0000 0.0000 0.3725 ( 9012 PWs) bands (ev): -15.0598 -15.0598 -8.8514 -8.8514 -4.1564 -4.1564 -3.5729 -3.5729 -2.4682 -2.4682 -2.3758 -2.3758 0.1074 0.1074 0.3015 0.3015 1.3089 1.3089 1.7113 1.7113 1.9886 1.9886 2.2842 2.2842 3.6744 3.6744 3.9534 3.9534 7.4687 7.4687 7.8293 7.8293 8.6454 8.6454 9.6033 9.6033 k = 0.0000 0.0000 0.3868 ( 9008 PWs) bands (ev): -15.0596 -15.0596 -8.8467 -8.8467 -4.1712 -4.1712 -3.5824 -3.5824 -2.4717 -2.4717 -2.3765 -2.3765 0.1009 0.1009 0.2969 0.2969 1.3053 1.3053 1.7597 1.7597 1.9843 1.9843 2.2845 2.2845 3.7084 3.7084 3.9904 3.9904 7.4224 7.4224 7.7812 7.7812 8.6469 8.6469 9.6246 9.6246 k = 0.0000 0.0000 0.4011 ( 9004 PWs) bands (ev): -15.0594 -15.0594 -8.8429 -8.8429 -4.1831 -4.1831 -3.5896 -3.5896 -2.4744 -2.4744 -2.3771 -2.3771 0.0959 0.0959 0.2932 0.2932 1.3026 1.3026 1.8011 1.8011 1.9777 1.9777 2.2848 2.2848 3.7355 3.7355 4.0199 4.0199 7.3858 7.3858 7.7430 7.7430 8.6482 8.6482 9.6423 9.6423 k = 0.0000 0.0000 0.4155 ( 9016 PWs) bands (ev): -15.0593 -15.0593 -8.8402 -8.8402 -4.1918 -4.1918 -3.5946 -3.5946 -2.4763 -2.4763 -2.3775 -2.3775 0.0922 0.0922 0.2906 0.2906 1.3007 1.3007 1.8346 1.8346 1.9694 1.9694 2.2849 2.2849 3.7553 3.7553 4.0414 4.0414 7.3592 7.3592 7.7153 7.7153 8.6491 8.6491 9.6557 9.6557 k = 0.0000 0.0000 0.4298 ( 9012 PWs) bands (ev): -15.0593 -15.0593 -8.8385 -8.8385 -4.1971 -4.1971 -3.5976 -3.5976 -2.4775 -2.4775 -2.3778 -2.3778 0.0900 0.0900 0.2891 0.2891 1.2996 1.2996 1.8579 1.8579 1.9613 1.9613 2.2850 2.2850 3.7673 3.7673 4.0545 4.0545 7.3432 7.3432 7.6985 7.6986 8.6497 8.6497 9.6641 9.6641 k = 0.0000 0.0000 0.4441 ( 8980 PWs) bands (ev): -15.0593 -15.0593 -8.8379 -8.8379 -4.1988 -4.1988 -3.5985 -3.5985 -2.4779 -2.4779 -2.3779 -2.3779 0.0893 0.0893 0.2886 0.2886 1.2992 1.2992 1.8668 1.8668 1.9575 1.9575 2.2851 2.2851 3.7713 3.7713 4.0589 4.0589 7.3378 7.3378 7.6929 7.6929 8.6499 8.6499 9.6670 9.6670 k = 0.0000 0.0000 0.4441 ( 8980 PWs) bands (ev): -15.0593 -15.0593 -8.8379 -8.8379 -4.1988 -4.1988 -3.5985 -3.5985 -2.4779 -2.4779 -2.3779 -2.3779 0.0893 0.0893 0.2886 0.2886 1.2992 1.2992 1.8668 1.8668 1.9575 1.9575 2.2851 2.2851 3.7713 3.7713 4.0589 4.0589 7.3378 7.3378 7.6929 7.6929 8.6499 8.6499 9.6670 9.6670 k = 0.0000 0.0143 0.4441 ( 9014 PWs) bands (ev): -15.0592 -15.0592 -8.8382 -8.8382 -4.1984 -4.1984 -3.5987 -3.5987 -2.4778 -2.4778 -2.3776 -2.3776 0.0887 0.0887 0.2881 0.2881 1.2988 1.2988 1.8672 1.8672 1.9577 1.9577 2.2851 2.2851 3.7705 3.7705 4.0581 4.0581 7.3372 7.3372 7.6923 7.6923 8.6529 8.6529 9.6678 9.6678 k = 0.0000 0.0286 0.4441 ( 9012 PWs) bands (ev): -15.0589 -15.0589 -8.8388 -8.8388 -4.1972 -4.1972 -3.5990 -3.5990 -2.4778 -2.4778 -2.3770 -2.3770 0.0870 0.0870 0.2866 0.2866 1.2977 1.2977 1.8686 1.8686 1.9583 1.9583 2.2851 2.2851 3.7682 3.7682 4.0558 4.0558 7.3352 7.3352 7.6906 7.6906 8.6620 8.6620 9.6703 9.6703 k = 0.0000 0.0429 0.4441 ( 9010 PWs) bands (ev): -15.0585 -15.0585 -8.8399 -8.8399 -4.1952 -4.1952 -3.5997 -3.5997 -2.4777 -2.4777 -2.3758 -2.3758 0.0841 0.0841 0.2842 0.2842 1.2958 1.2958 1.8708 1.8708 1.9594 1.9594 2.2852 2.2852 3.7643 3.7643 4.0519 4.0519 7.3318 7.3318 7.6880 7.6880 8.6771 8.6771 9.6744 9.6744 k = 0.0000 0.0571 0.4441 ( 9022 PWs) bands (ev): -15.0580 -15.0580 -8.8415 -8.8415 -4.1924 -4.1924 -3.6006 -3.6006 -2.4776 -2.4776 -2.3742 -2.3742 0.0800 0.0800 0.2808 0.2808 1.2933 1.2933 1.8739 1.8739 1.9608 1.9608 2.2852 2.2852 3.7589 3.7589 4.0465 4.0465 7.3264 7.3264 7.6852 7.6852 8.6981 8.6981 9.6801 9.6801 k = 0.0000 0.0714 0.4441 ( 9022 PWs) bands (ev): -15.0572 -15.0572 -8.8434 -8.8434 -4.1887 -4.1887 -3.6017 -3.6017 -2.4774 -2.4774 -2.3721 -2.3721 0.0749 0.0749 0.2766 0.2766 1.2901 1.2901 1.8777 1.8777 1.9627 1.9627 2.2854 2.2854 3.7521 3.7521 4.0397 4.0397 7.3187 7.3187 7.6827 7.6827 8.7251 8.7251 9.6872 9.6872 k = 0.0000 0.0857 0.4441 ( 9030 PWs) bands (ev): -15.0564 -15.0564 -8.8458 -8.8458 -4.1843 -4.1843 -3.6032 -3.6032 -2.4773 -2.4773 -2.3696 -2.3696 0.0687 0.0687 0.2713 0.2713 1.2863 1.2863 1.8822 1.8822 1.9649 1.9649 2.2857 2.2857 3.7439 3.7439 4.0315 4.0315 7.3080 7.3080 7.6813 7.6813 8.7578 8.7578 9.6957 9.6957 k = 0.0000 0.1000 0.4441 ( 9024 PWs) bands (ev): -15.0554 -15.0554 -8.8485 -8.8485 -4.1791 -4.1791 -3.6049 -3.6049 -2.4771 -2.4771 -2.3665 -2.3665 0.0615 0.0615 0.2653 0.2653 1.2820 1.2820 1.8872 1.8872 1.9675 1.9675 2.2861 2.2861 3.7345 3.7345 4.0221 4.0221 7.2940 7.2940 7.6817 7.6817 8.7963 8.7963 9.7054 9.7054 k = 0.0000 0.1143 0.4441 ( 9016 PWs) bands (ev): -15.0542 -15.0542 -8.8516 -8.8516 -4.1732 -4.1732 -3.6070 -3.6070 -2.4770 -2.4770 -2.3630 -2.3630 0.0533 0.0533 0.2583 0.2583 1.2772 1.2772 1.8927 1.8927 1.9704 1.9704 2.2868 2.2868 3.7239 3.7239 4.0116 4.0116 7.2763 7.2763 7.6845 7.6845 8.8403 8.8403 9.7162 9.7162 k = 0.0000 0.1286 0.4441 ( 9008 PWs) bands (ev): -15.0530 -15.0530 -8.8550 -8.8550 -4.1665 -4.1665 -3.6093 -3.6093 -2.4768 -2.4768 -2.3590 -2.3590 0.0442 0.0442 0.2505 0.2505 1.2721 1.2721 1.8985 1.8985 1.9737 1.9737 2.2876 2.2876 3.7123 3.7123 4.0001 4.0001 7.2549 7.2549 7.6901 7.6901 8.8897 8.8897 9.7279 9.7279 k = 0.0000 0.1429 0.4441 ( 9008 PWs) bands (ev): -15.0516 -15.0516 -8.8587 -8.8587 -4.1591 -4.1591 -3.6120 -3.6120 -2.4767 -2.4767 -2.3545 -2.3545 0.0342 0.0342 0.2420 0.2420 1.2666 1.2666 1.9045 1.9045 1.9773 1.9773 2.2888 2.2888 3.6997 3.6997 3.9878 3.9878 7.2298 7.2298 7.6986 7.6986 8.9443 8.9443 9.7405 9.7405 k = 0.0000 0.1571 0.4441 ( 9000 PWs) bands (ev): -15.0501 -15.0501 -8.8627 -8.8627 -4.1511 -4.1511 -3.6151 -3.6151 -2.4766 -2.4766 -2.3496 -2.3496 0.0235 0.0235 0.2327 0.2327 1.2610 1.2610 1.9107 1.9107 1.9811 1.9811 2.2904 2.2904 3.6864 3.6864 3.9747 3.9747 7.2013 7.2013 7.7101 7.7101 9.0039 9.0039 9.7537 9.7537 k = 0.0000 0.1714 0.4441 ( 8996 PWs) bands (ev): -15.0485 -15.0485 -8.8670 -8.8670 -4.1423 -4.1423 -3.6185 -3.6185 -2.4765 -2.4765 -2.3442 -2.3442 0.0120 0.0120 0.2227 0.2227 1.2551 1.2551 1.9169 1.9169 1.9852 1.9852 2.2923 2.2923 3.6725 3.6725 3.9610 3.9610 7.1698 7.1698 7.7244 7.7244 9.0683 9.0683 9.7675 9.7675 k = 0.0000 0.1857 0.4441 ( 9002 PWs) bands (ev): -15.0468 -15.0468 -8.8715 -8.8715 -4.1329 -4.1329 -3.6223 -3.6223 -2.4764 -2.4764 -2.3383 -2.3383 0.0000 0.0000 0.2121 0.2121 1.2491 1.2491 1.9230 1.9230 1.9894 1.9894 2.2947 2.2947 3.6581 3.6581 3.9469 3.9469 7.1358 7.1358 7.7413 7.7413 9.1372 9.1372 9.7817 9.7817 k = 0.0000 0.2000 0.4441 ( 9002 PWs) bands (ev): -15.0451 -15.0451 -8.8761 -8.8761 -4.1229 -4.1229 -3.6265 -3.6265 -2.4764 -2.4764 -2.3321 -2.3321 -0.0126 -0.0126 0.2010 0.2010 1.2431 1.2431 1.9289 1.9289 1.9938 1.9938 2.2976 2.2976 3.6433 3.6433 3.9325 3.9325 7.0998 7.0998 7.7605 7.7605 9.2103 9.2103 9.7963 9.7963 k = 0.0000 0.2143 0.4441 ( 9004 PWs) bands (ev): -15.0433 -15.0433 -8.8809 -8.8809 -4.1123 -4.1123 -3.6312 -3.6312 -2.4764 -2.4764 -2.3255 -2.3255 -0.0255 -0.0255 0.1893 0.1893 1.2370 1.2370 1.9346 1.9346 1.9983 1.9983 2.3010 2.3010 3.6283 3.6283 3.9179 3.9179 7.0622 7.0622 7.7818 7.7818 9.2872 9.2872 9.8110 9.8110 k = 0.0000 0.2286 0.4441 ( 8996 PWs) bands (ev): -15.0415 -15.0415 -8.8858 -8.8858 -4.1011 -4.1011 -3.6363 -3.6363 -2.4763 -2.4763 -2.3186 -2.3186 -0.0388 -0.0388 0.1773 0.1773 1.2310 1.2310 1.9399 1.9399 2.0029 2.0029 2.3049 2.3049 3.6131 3.6131 3.9032 3.9032 7.0236 7.0236 7.8048 7.8048 9.3676 9.3676 9.8259 9.8259 k = 0.0000 0.2429 0.4441 ( 8996 PWs) bands (ev): -15.0397 -15.0397 -8.8908 -8.8908 -4.0894 -4.0894 -3.6418 -3.6418 -2.4763 -2.4763 -2.3115 -2.3115 -0.0523 -0.0523 0.1650 0.1650 1.2251 1.2251 1.9449 1.9449 2.0076 2.0076 2.3093 2.3093 3.5981 3.5981 3.8886 3.8886 6.9843 6.9843 7.8294 7.8294 9.4511 9.4511 9.8407 9.8407 k = 0.0000 0.2571 0.4441 ( 8996 PWs) bands (ev): -15.0378 -15.0378 -8.8958 -8.8958 -4.0773 -4.0773 -3.6479 -3.6479 -2.4762 -2.4762 -2.3041 -2.3041 -0.0660 -0.0660 0.1525 0.1525 1.2193 1.2193 1.9493 1.9493 2.0123 2.0123 2.3142 2.3142 3.5832 3.5832 3.8742 3.8742 6.9449 6.9449 7.8551 7.8551 9.5371 9.5371 9.8553 9.8553 k = 0.0000 0.2714 0.4441 ( 8998 PWs) bands (ev): -15.0360 -15.0360 -8.9007 -8.9007 -4.0647 -4.0647 -3.6544 -3.6544 -2.4762 -2.4762 -2.2966 -2.2966 -0.0796 -0.0796 0.1398 0.1398 1.2136 1.2136 1.9532 1.9532 2.0172 2.0172 2.3194 2.3194 3.5686 3.5686 3.8601 3.8601 6.9056 6.9056 7.8818 7.8818 9.6252 9.6252 9.8697 9.8697 k = 0.0000 0.2857 0.4441 ( 8994 PWs) bands (ev): -15.0341 -15.0341 -8.9056 -8.9056 -4.0517 -4.0517 -3.6613 -3.6613 -2.4761 -2.4761 -2.2889 -2.2889 -0.0931 -0.0931 0.1271 0.1271 1.2082 1.2082 1.9565 1.9565 2.0221 2.0221 2.3251 2.3251 3.5545 3.5545 3.8464 3.8464 6.8668 6.8668 7.9091 7.9091 9.7148 9.7148 9.8837 9.8837 k = 0.0000 0.3000 0.4441 ( 8994 PWs) bands (ev): -15.0323 -15.0323 -8.9104 -8.9104 -4.0383 -4.0383 -3.6688 -3.6688 -2.4760 -2.4760 -2.2813 -2.2813 -0.1063 -0.1063 0.1145 0.1145 1.2029 1.2029 1.9593 1.9593 2.0270 2.0270 2.3310 2.3310 3.5408 3.5408 3.8332 3.8332 6.8290 6.8290 7.9368 7.9368 9.8051 9.8051 9.8972 9.8972 k = 0.0000 0.3143 0.4441 ( 8998 PWs) bands (ev): -15.0306 -15.0306 -8.9151 -8.9151 -4.0246 -4.0246 -3.6768 -3.6768 -2.4759 -2.4759 -2.2738 -2.2738 -0.1192 -0.1192 0.1021 0.1021 1.1979 1.1979 1.9615 1.9615 2.0320 2.0320 2.3371 2.3371 3.5277 3.5277 3.8206 3.8206 6.7922 6.7922 7.9645 7.9645 9.8948 9.8948 9.9109 9.9109 k = 0.0000 0.3286 0.4441 ( 8998 PWs) bands (ev): -15.0289 -15.0289 -8.9196 -8.9196 -4.0107 -4.0107 -3.6852 -3.6852 -2.4758 -2.4758 -2.2663 -2.2663 -0.1317 -0.1317 0.0900 0.0900 1.1932 1.1932 1.9633 1.9633 2.0369 2.0369 2.3433 2.3433 3.5154 3.5154 3.8086 3.8086 6.7570 6.7570 7.9921 7.9921 9.9219 9.9219 9.9859 9.9859 k = 0.0000 0.3429 0.4441 ( 9004 PWs) bands (ev): -15.0273 -15.0273 -8.9239 -8.9239 -3.9966 -3.9966 -3.6942 -3.6942 -2.4756 -2.4756 -2.2591 -2.2591 -0.1436 -0.1436 0.0784 0.0784 1.1887 1.1887 1.9645 1.9645 2.0417 2.0417 2.3494 2.3494 3.5038 3.5038 3.7974 3.7974 6.7235 6.7235 8.0191 8.0191 9.9333 9.9333 10.0740 10.0740 k = 0.0000 0.3571 0.4441 ( 8984 PWs) bands (ev): -15.0258 -15.0258 -8.9280 -8.9280 -3.9823 -3.9823 -3.7036 -3.7036 -2.4755 -2.4755 -2.2522 -2.2522 -0.1549 -0.1549 0.0673 0.0673 1.1846 1.1846 1.9654 1.9654 2.0463 2.0463 2.3555 2.3555 3.4931 3.4931 3.7870 3.7870 6.6920 6.6920 8.0453 8.0453 9.9438 9.9438 10.1597 10.1597 k = 0.0000 0.3714 0.4441 ( 8988 PWs) bands (ev): -15.0244 -15.0244 -8.9317 -8.9317 -3.9679 -3.9679 -3.7134 -3.7134 -2.4753 -2.4753 -2.2457 -2.2457 -0.1654 -0.1654 0.0568 0.0568 1.1808 1.1808 1.9660 1.9660 2.0508 2.0508 2.3613 2.3613 3.4832 3.4832 3.7774 3.7774 6.6627 6.6627 8.0703 8.0703 9.9532 9.9532 10.2420 10.2420 k = 0.0000 0.3857 0.4441 ( 8996 PWs) bands (ev): -15.0231 -15.0231 -8.9352 -8.9352 -3.9535 -3.9535 -3.7236 -3.7236 -2.4751 -2.4751 -2.2395 -2.2395 -0.1751 -0.1751 0.0472 0.0472 1.1773 1.1773 1.9663 1.9663 2.0549 2.0549 2.3668 2.3668 3.4743 3.4743 3.7687 3.7687 6.6358 6.6358 8.0938 8.0938 9.9616 9.9616 10.3197 10.3197 k = 0.0000 0.4000 0.4441 ( 8992 PWs) bands (ev): -15.0219 -15.0219 -8.9383 -8.9383 -3.9392 -3.9392 -3.7342 -3.7342 -2.4749 -2.4749 -2.2340 -2.2340 -0.1839 -0.1839 0.0383 0.0383 1.1742 1.1742 1.9664 1.9664 2.0587 2.0587 2.3719 2.3719 3.4664 3.4664 3.7609 3.7609 6.6117 6.6117 8.1156 8.1156 9.9690 9.9690 10.3917 10.3917 k = 0.0000 0.4143 0.4441 ( 8996 PWs) bands (ev): -15.0209 -15.0209 -8.9411 -8.9411 -3.9250 -3.9250 -3.7451 -3.7451 -2.4748 -2.4748 -2.2290 -2.2290 -0.1916 -0.1916 0.0305 0.0305 1.1715 1.1715 1.9663 1.9663 2.0622 2.0622 2.3765 2.3765 3.4594 3.4594 3.7542 3.7542 6.5903 6.5903 8.1352 8.1352 9.9753 9.9753 10.4569 10.4569 k = 0.0000 0.4286 0.4441 ( 8992 PWs) bands (ev): -15.0200 -15.0200 -8.9435 -8.9435 -3.9111 -3.9111 -3.7561 -3.7561 -2.4746 -2.4746 -2.2246 -2.2246 -0.1983 -0.1983 0.0237 0.0237 1.1692 1.1692 1.9662 1.9662 2.0651 2.0651 2.3805 2.3805 3.4536 3.4536 3.7484 3.7484 6.5720 6.5720 8.1524 8.1524 9.9805 9.9805 10.5143 10.5143 k = 0.0000 0.4429 0.4441 ( 9004 PWs) bands (ev): -15.0193 -15.0193 -8.9454 -8.9454 -3.8978 -3.8978 -3.7671 -3.7671 -2.4745 -2.4745 -2.2210 -2.2210 -0.2039 -0.2039 0.0180 0.0180 1.1673 1.1673 1.9660 1.9660 2.0676 2.0676 2.3838 2.3838 3.4487 3.4487 3.7436 3.7436 6.5568 6.5568 8.1669 8.1669 9.9847 9.9847 10.5629 10.5629 k = 0.0000 0.4571 0.4441 ( 9000 PWs) bands (ev): -15.0187 -15.0187 -8.9470 -8.9470 -3.8855 -3.8855 -3.7776 -3.7776 -2.4743 -2.4743 -2.2181 -2.2181 -0.2083 -0.2083 0.0135 0.0135 1.1658 1.1658 1.9659 1.9659 2.0696 2.0696 2.3865 2.3865 3.4449 3.4449 3.7399 3.7399 6.5449 6.5449 8.1784 8.1784 9.9879 9.9879 10.6017 10.6017 k = 0.0000 0.4714 0.4441 ( 8990 PWs) bands (ev): -15.0183 -15.0183 -8.9481 -8.9481 -3.8747 -3.8747 -3.7870 -3.7870 -2.4743 -2.4743 -2.2160 -2.2160 -0.2114 -0.2114 0.0103 0.0103 1.1647 1.1647 1.9657 1.9657 2.0711 2.0711 2.3885 2.3885 3.4422 3.4422 3.7372 3.7372 6.5363 6.5363 8.1868 8.1868 9.9902 9.9902 10.6299 10.6299 k = 0.0000 0.4857 0.4441 ( 9000 PWs) bands (ev): -15.0180 -15.0180 -8.9488 -8.9488 -3.8668 -3.8668 -3.7941 -3.7941 -2.4742 -2.4742 -2.2147 -2.2147 -0.2133 -0.2133 0.0083 0.0083 1.1641 1.1641 1.9657 1.9657 2.0719 2.0719 2.3896 2.3896 3.4406 3.4406 3.7356 3.7356 6.5311 6.5311 8.1919 8.1919 9.9915 9.9915 10.6471 10.6471 k = 0.0000 0.5000 0.4441 ( 9004 PWs) bands (ev): -15.0179 -15.0179 -8.9490 -8.9490 -3.8638 -3.8638 -3.7968 -3.7968 -2.4742 -2.4742 -2.2143 -2.2143 -0.2139 -0.2139 0.0076 0.0076 1.1639 1.1639 1.9656 1.9656 2.0722 2.0722 2.3900 2.3900 3.4401 3.4401 3.7351 3.7351 6.5293 6.5293 8.1936 8.1936 9.9919 9.9919 10.6529 10.6529 k = 0.0000 0.5000 0.4441 ( 9004 PWs) bands (ev): -15.0179 -15.0179 -8.9490 -8.9490 -3.8638 -3.8638 -3.7968 -3.7968 -2.4742 -2.4742 -2.2143 -2.2143 -0.2139 -0.2139 0.0076 0.0076 1.1639 1.1639 1.9656 1.9656 2.0722 2.0722 2.3900 2.3900 3.4401 3.4401 3.7351 3.7351 6.5293 6.5293 8.1936 8.1936 9.9919 9.9919 10.6529 10.6529 k = 0.0143 0.5000 0.4441 ( 8996 PWs) bands (ev): -15.0179 -15.0179 -8.9488 -8.9488 -3.8638 -3.8638 -3.7973 -3.7973 -2.4747 -2.4747 -2.2161 -2.2161 -0.2126 -0.2126 0.0084 0.0084 1.1642 1.1642 1.9665 1.9665 2.0720 2.0720 2.3901 2.3901 3.4410 3.4410 3.7357 3.7357 6.5276 6.5276 8.1850 8.1850 9.9991 9.9991 10.6555 10.6555 k = 0.0286 0.5000 0.4441 ( 8996 PWs) bands (ev): -15.0177 -15.0177 -8.9484 -8.9484 -3.8636 -3.8636 -3.7987 -3.7987 -2.4764 -2.4764 -2.2213 -2.2213 -0.2087 -0.2087 0.0109 0.0109 1.1653 1.1653 1.9690 1.9690 2.0713 2.0713 2.3903 2.3903 3.4438 3.4438 3.7376 3.7376 6.5225 6.5225 8.1595 8.1595 10.0200 10.0200 10.6634 10.6634 k = 0.0429 0.5000 0.4441 ( 8996 PWs) bands (ev): -15.0174 -15.0174 -8.9476 -8.9476 -3.8633 -3.8633 -3.8010 -3.8010 -2.4790 -2.4790 -2.2300 -2.2300 -0.2023 -0.2023 0.0148 0.0148 1.1671 1.1671 1.9732 1.9732 2.0702 2.0702 2.3907 2.3907 3.4485 3.4485 3.7408 3.7408 6.5141 6.5141 8.1186 8.1186 10.0533 10.0533 10.6764 10.6764 k = 0.0571 0.5000 0.4441 ( 9004 PWs) bands (ev): -15.0170 -15.0170 -8.9466 -8.9466 -3.8629 -3.8629 -3.8043 -3.8043 -2.4827 -2.4827 -2.2419 -2.2419 -0.1935 -0.1935 0.0203 0.0203 1.1695 1.1695 1.9790 1.9790 2.0686 2.0686 2.3912 2.3912 3.4550 3.4550 3.7452 3.7452 6.5024 6.5024 8.0642 8.0642 10.0969 10.0969 10.6947 10.6947 k = 0.0714 0.5000 0.4441 ( 9016 PWs) bands (ev): -15.0165 -15.0165 -8.9453 -8.9453 -3.8623 -3.8623 -3.8085 -3.8085 -2.4874 -2.4874 -2.2568 -2.2568 -0.1826 -0.1826 0.0272 0.0272 1.1726 1.1726 1.9864 1.9864 2.0667 2.0667 2.3918 2.3918 3.4632 3.4632 3.7508 3.7508 6.4876 6.4876 7.9984 7.9984 10.1486 10.1486 10.7182 10.7182 k = 0.0857 0.5000 0.4441 ( 9008 PWs) bands (ev): -15.0158 -15.0158 -8.9437 -8.9437 -3.8616 -3.8616 -3.8135 -3.8135 -2.4929 -2.4929 -2.2745 -2.2745 -0.1696 -0.1696 0.0354 0.0355 1.1763 1.1763 1.9953 1.9953 2.0644 2.0644 2.3925 2.3925 3.4732 3.4732 3.7576 3.7576 6.4698 6.4698 7.9234 7.9234 10.2061 10.2061 10.7469 10.7469 k = 0.1000 0.5000 0.4441 ( 8996 PWs) bands (ev): -15.0151 -15.0151 -8.9418 -8.9418 -3.8609 -3.8609 -3.8195 -3.8195 -2.4992 -2.4992 -2.2947 -2.2947 -0.1550 -0.1550 0.0449 0.0449 1.1807 1.1807 2.0056 2.0056 2.0620 2.0620 2.3934 2.3934 3.4848 3.4848 3.7655 3.7655 6.4493 6.4493 7.8410 7.8410 10.2673 10.2673 10.7808 10.7808 k = 0.1143 0.5000 0.4441 ( 9008 PWs) bands (ev): -15.0143 -15.0143 -8.9397 -8.9397 -3.8600 -3.8600 -3.8262 -3.8262 -2.5062 -2.5062 -2.3171 -2.3171 -0.1388 -0.1388 0.0555 0.0555 1.1856 1.1856 2.0170 2.0170 2.0597 2.0597 2.3944 2.3944 3.4979 3.4979 3.7745 3.7745 6.4262 6.4262 7.7530 7.7530 10.3303 10.3303 10.8196 10.8196 k = 0.1286 0.5000 0.4441 ( 9004 PWs) bands (ev): -15.0133 -15.0133 -8.9373 -8.9373 -3.8590 -3.8590 -3.8338 -3.8338 -2.5139 -2.5139 -2.3413 -2.3413 -0.1214 -0.1214 0.0671 0.0671 1.1910 1.1910 2.0284 2.0284 2.0585 2.0585 2.3956 2.3956 3.5125 3.5125 3.7845 3.7845 6.4008 6.4008 7.6609 7.6609 10.3939 10.3939 10.8632 10.8632 k = 0.1429 0.5000 0.4441 ( 9004 PWs) bands (ev): -15.0123 -15.0123 -8.9347 -8.9347 -3.8580 -3.8580 -3.8421 -3.8421 -2.5221 -2.5221 -2.3671 -2.3671 -0.1031 -0.1031 0.0795 0.0795 1.1968 1.1968 2.0369 2.0369 2.0615 2.0615 2.3968 2.3968 3.5285 3.5285 3.7954 3.7954 6.3734 6.3734 7.5657 7.5657 10.4567 10.4567 10.9105 10.9105 k = 0.1571 0.5000 0.4441 ( 9008 PWs) bands (ev): -15.0113 -15.0113 -8.9320 -8.9320 -3.8569 -3.8569 -3.8511 -3.8511 -2.5309 -2.5309 -2.3939 -2.3939 -0.0840 -0.0840 0.0925 0.0925 1.2031 1.2031 2.0388 2.0388 2.0721 2.0721 2.3982 2.3982 3.5457 3.5457 3.8072 3.8072 6.3441 6.3441 7.4686 7.4686 10.5179 10.5179 10.9562 10.9562 k = 0.1714 0.5000 0.4441 ( 9008 PWs) bands (ev): -15.0101 -15.0101 -8.9290 -8.9290 -3.8608 -3.8608 -3.8556 -3.8556 -2.5402 -2.5402 -2.4214 -2.4214 -0.0644 -0.0644 0.1062 0.1062 1.2098 1.2098 2.0367 2.0367 2.0879 2.0879 2.3997 2.3997 3.5640 3.5640 3.8197 3.8197 6.3133 6.3133 7.3704 7.3704 10.5769 10.5769 10.9861 10.9861 k = 0.1857 0.5000 0.4441 ( 9024 PWs) bands (ev): -15.0089 -15.0089 -8.9259 -8.9259 -3.8711 -3.8711 -3.8544 -3.8544 -2.5501 -2.5501 -2.4491 -2.4491 -0.0446 -0.0446 0.1202 0.1202 1.2167 1.2167 2.0331 2.0331 2.1061 2.1061 2.4013 2.4013 3.5833 3.5833 3.8330 3.8330 6.2811 6.2811 7.2718 7.2718 10.6333 10.6333 11.0060 11.0060 k = 0.2000 0.5000 0.4441 ( 9008 PWs) bands (ev): -15.0076 -15.0076 -8.9227 -8.9227 -3.8818 -3.8818 -3.8531 -3.8531 -2.5609 -2.5609 -2.4763 -2.4763 -0.0246 -0.0246 0.1344 0.1344 1.2239 1.2239 2.0290 2.0290 2.1259 2.1259 2.4031 2.4031 3.6034 3.6034 3.8468 3.8468 6.2479 6.2479 7.1735 7.1735 10.6870 10.6870 11.0261 11.0261 k = 0.2143 0.5000 0.4441 ( 9000 PWs) bands (ev): -15.0064 -15.0064 -8.9193 -8.9193 -3.8930 -3.8930 -3.8518 -3.8518 -2.5731 -2.5731 -2.5022 -2.5022 -0.0048 -0.0048 0.1488 0.1488 1.2313 1.2313 2.0246 2.0246 2.1468 2.1468 2.4051 2.4051 3.6242 3.6242 3.8611 3.8611 6.2139 6.2139 7.0760 7.0760 10.7378 10.7378 11.0486 11.0486 k = 0.2286 0.5000 0.4441 ( 9008 PWs) bands (ev): -15.0050 -15.0050 -8.9159 -8.9159 -3.9045 -3.9045 -3.8504 -3.8504 -2.5877 -2.5877 -2.5256 -2.5256 0.0148 0.0148 0.1631 0.1631 1.2388 1.2388 2.0200 2.0200 2.1685 2.1685 2.4072 2.4072 3.6454 3.6454 3.8758 3.8758 6.1794 6.1794 6.9799 6.9799 10.7861 10.7861 11.0738 11.0738 k = 0.2429 0.5000 0.4441 ( 9000 PWs) bands (ev): -15.0037 -15.0037 -8.9125 -8.9125 -3.9163 -3.9163 -3.8490 -3.8490 -2.6057 -2.6057 -2.5450 -2.5450 0.0339 0.0339 0.1772 0.1772 1.2464 1.2464 2.0154 2.0154 2.1909 2.1909 2.4096 2.4096 3.6671 3.6671 3.8907 3.8907 6.1445 6.1445 6.8858 6.8858 10.8318 10.8318 11.1017 11.1017 k = 0.2571 0.5000 0.4441 ( 9000 PWs) bands (ev): -15.0024 -15.0024 -8.9090 -8.9090 -3.9282 -3.9282 -3.8476 -3.8476 -2.6271 -2.6271 -2.5602 -2.5602 0.0525 0.0525 0.1912 0.1912 1.2539 1.2539 2.0107 2.0107 2.2137 2.2137 2.4124 2.4124 3.6888 3.6888 3.9058 3.9058 6.1095 6.1095 6.7939 6.7939 10.8752 10.8752 11.1324 11.1324 k = 0.2714 0.5000 0.4441 ( 9012 PWs) bands (ev): -15.0010 -15.0010 -8.9055 -8.9055 -3.9402 -3.9402 -3.8463 -3.8463 -2.6507 -2.6507 -2.5722 -2.5722 0.0705 0.0705 0.2047 0.2047 1.2614 1.2614 2.0061 2.0061 2.2366 2.2366 2.4155 2.4155 3.7106 3.7106 3.9209 3.9209 6.0746 6.0746 6.7050 6.7050 10.9167 10.9167 11.1655 11.1655 k = 0.2857 0.5000 0.4441 ( 9012 PWs) bands (ev): -14.9997 -14.9997 -8.9020 -8.9020 -3.9521 -3.9521 -3.8449 -3.8449 -2.6753 -2.6753 -2.5819 -2.5819 0.0878 0.0878 0.2177 0.2177 1.2688 1.2688 2.0016 2.0016 2.2592 2.2592 2.4193 2.4193 3.7322 3.7322 3.9359 3.9359 6.0399 6.0399 6.6193 6.6193 10.9563 10.9563 11.2010 11.2010 k = 0.3000 0.5000 0.4441 ( 9000 PWs) bands (ev): -14.9984 -14.9984 -8.8986 -8.8986 -3.9638 -3.9638 -3.8436 -3.8436 -2.6998 -2.6998 -2.5901 -2.5901 0.1042 0.1042 0.2303 0.2303 1.2759 1.2759 1.9972 1.9972 2.2811 2.2811 2.4240 2.4240 3.7534 3.7534 3.9507 3.9507 6.0055 6.0055 6.5373 6.5373 10.9943 10.9943 11.2387 11.2387 k = 0.3143 0.5000 0.4441 ( 9004 PWs) bands (ev): -14.9971 -14.9971 -8.8953 -8.8953 -3.9753 -3.9753 -3.8423 -3.8423 -2.7238 -2.7238 -2.5973 -2.5973 0.1198 0.1198 0.2422 0.2422 1.2829 1.2829 1.9930 1.9930 2.3018 2.3018 2.4297 2.4297 3.7742 3.7742 3.9651 3.9651 5.9717 5.9717 6.4596 6.4596 11.0308 11.0308 11.2782 11.2782 k = 0.3286 0.5000 0.4441 ( 8996 PWs) bands (ev): -14.9959 -14.9959 -8.8921 -8.8921 -3.9864 -3.9864 -3.8411 -3.8411 -2.7469 -2.7469 -2.6036 -2.6036 0.1344 0.1344 0.2534 0.2534 1.2895 1.2895 1.9889 1.9889 2.3206 2.3206 2.4371 2.4371 3.7942 3.7942 3.9791 3.9791 5.9384 5.9384 6.3866 6.3866 11.0659 11.0659 11.3194 11.3194 k = 0.3429 0.5000 0.4441 ( 8992 PWs) bands (ev): -14.9948 -14.9948 -8.8891 -8.8891 -3.9971 -3.9971 -3.8399 -3.8399 -2.7687 -2.7687 -2.6092 -2.6092 0.1480 0.1480 0.2638 0.2638 1.2958 1.2958 1.9851 1.9851 2.3369 2.3369 2.4463 2.4463 3.8133 3.8133 3.9924 3.9924 5.9058 5.9058 6.3188 6.3188 11.0997 11.0997 11.3618 11.3618 k = 0.3571 0.5000 0.4441 ( 8992 PWs) bands (ev): -14.9937 -14.9937 -8.8862 -8.8862 -4.0072 -4.0072 -3.8388 -3.8388 -2.7891 -2.7891 -2.6142 -2.6142 0.1605 0.1605 0.2735 0.2735 1.3017 1.3017 1.9815 1.9815 2.3503 2.3503 2.4575 2.4575 3.8315 3.8315 4.0051 4.0051 5.8740 5.8740 6.2566 6.2566 11.1323 11.1323 11.4052 11.4052 k = 0.3714 0.5000 0.4441 ( 8976 PWs) bands (ev): -14.9927 -14.9927 -8.8835 -8.8835 -4.0167 -4.0167 -3.8378 -3.8378 -2.8079 -2.8079 -2.6187 -2.6187 0.1720 0.1720 0.2824 0.2824 1.3072 1.3072 1.9782 1.9782 2.3608 2.3608 2.4705 2.4705 3.8484 3.8484 4.0169 4.0169 5.8432 5.8432 6.2003 6.2003 11.1634 11.1634 11.4490 11.4490 k = 0.3857 0.5000 0.4441 ( 8964 PWs) bands (ev): -14.9917 -14.9917 -8.8810 -8.8810 -4.0254 -4.0254 -3.8369 -3.8369 -2.8250 -2.8250 -2.6225 -2.6225 0.1823 0.1823 0.2904 0.2904 1.3122 1.3122 1.9751 1.9751 2.3688 2.3688 2.4846 2.4846 3.8641 3.8641 4.0278 4.0278 5.8136 5.8136 6.1503 6.1503 11.1930 11.1930 11.4926 11.4926 k = 0.4000 0.5000 0.4441 ( 8952 PWs) bands (ev): -14.9909 -14.9909 -8.8788 -8.8788 -4.0332 -4.0332 -3.8360 -3.8360 -2.8404 -2.8404 -2.6259 -2.6259 0.1915 0.1915 0.2975 0.2975 1.3167 1.3167 1.9724 1.9724 2.3747 2.3747 2.4990 2.4990 3.8782 3.8782 4.0377 4.0377 5.7856 5.7856 6.1067 6.1067 11.2209 11.2209 11.5352 11.5352 k = 0.4143 0.5000 0.4441 ( 8948 PWs) bands (ev): -14.9901 -14.9901 -8.8768 -8.8768 -4.0402 -4.0402 -3.8353 -3.8353 -2.8538 -2.8538 -2.6288 -2.6288 0.1995 0.1995 0.3037 0.3037 1.3207 1.3207 1.9700 1.9700 2.3791 2.3791 2.5129 2.5129 3.8908 3.8908 4.0465 4.0465 5.7596 5.7596 6.0695 6.0695 11.2466 11.2466 11.5742 11.5742 k = 0.4286 0.5000 0.4441 ( 8960 PWs) bands (ev): -14.9895 -14.9895 -8.8751 -8.8751 -4.0462 -4.0462 -3.8347 -3.8347 -2.8653 -2.8653 -2.6312 -2.6312 0.2062 0.2062 0.3090 0.3090 1.3241 1.3241 1.9679 1.9679 2.3824 2.3824 2.5257 2.5257 3.9017 3.9017 4.0540 4.0540 5.7362 5.7362 6.0387 6.0387 11.2698 11.2698 11.5986 11.5986 k = 0.4429 0.5000 0.4441 ( 8952 PWs) bands (ev): -14.9890 -14.9890 -8.8737 -8.8737 -4.0512 -4.0512 -3.8341 -3.8341 -2.8748 -2.8748 -2.6331 -2.6331 0.2118 0.2118 0.3133 0.3133 1.3269 1.3269 1.9662 1.9662 2.3848 2.3848 2.5369 2.5369 3.9107 3.9107 4.0603 4.0603 5.7159 5.7159 6.0139 6.0139 11.2900 11.2900 11.5929 11.5929 k = 0.4571 0.5000 0.4441 ( 8952 PWs) bands (ev): -14.9885 -14.9885 -8.8726 -8.8726 -4.0552 -4.0552 -3.8337 -3.8337 -2.8822 -2.8822 -2.6346 -2.6346 0.2162 0.2162 0.3167 0.3167 1.3291 1.3291 1.9649 1.9649 2.3865 2.3865 2.5460 2.5460 3.9179 3.9179 4.0652 4.0652 5.6994 5.6994 5.9950 5.9950 11.3065 11.3065 11.5802 11.5802 k = 0.4714 0.5000 0.4441 ( 8944 PWs) bands (ev): -14.9882 -14.9882 -8.8718 -8.8718 -4.0580 -4.0580 -3.8334 -3.8334 -2.8875 -2.8875 -2.6357 -2.6357 0.2193 0.2193 0.3192 0.3192 1.3307 1.3307 1.9639 1.9639 2.3876 2.3876 2.5527 2.5527 3.9230 3.9230 4.0688 4.0688 5.6873 5.6873 5.9816 5.9816 11.3188 11.3188 11.5699 11.5699 k = 0.4857 0.5000 0.4441 ( 8928 PWs) bands (ev): -14.9881 -14.9881 -8.8713 -8.8713 -4.0597 -4.0597 -3.8332 -3.8332 -2.8907 -2.8907 -2.6363 -2.6363 0.2211 0.2211 0.3206 0.3206 1.3317 1.3317 1.9634 1.9634 2.3883 2.3883 2.5568 2.5568 3.9261 3.9261 4.0710 4.0710 5.6798 5.6798 5.9737 5.9737 11.3265 11.3265 11.5635 11.5635 k = 0.5000 0.5000 0.4441 ( 8928 PWs) bands (ev): -14.9880 -14.9880 -8.8711 -8.8711 -4.0603 -4.0603 -3.8332 -3.8332 -2.8918 -2.8918 -2.6365 -2.6365 0.2218 0.2218 0.3211 0.3211 1.3320 1.3320 1.9632 1.9632 2.3885 2.3885 2.5581 2.5581 3.9272 3.9272 4.0717 4.0717 5.6773 5.6773 5.9711 5.9711 11.3291 11.3291 11.5614 11.5614 k = 0.5000 0.5000 0.4441 ( 8928 PWs) bands (ev): -14.9880 -14.9880 -8.8711 -8.8711 -4.0603 -4.0603 -3.8332 -3.8332 -2.8918 -2.8918 -2.6365 -2.6365 0.2218 0.2218 0.3211 0.3211 1.3320 1.3320 1.9632 1.9632 2.3885 2.3885 2.5581 2.5581 3.9272 3.9272 4.0717 4.0717 5.6773 5.6773 5.9711 5.9711 11.3291 11.3291 11.5614 11.5614 k = 0.4898 0.4898 0.4441 ( 8928 PWs) bands (ev): -14.9881 -14.9881 -8.8713 -8.8713 -4.0597 -4.0597 -3.8332 -3.8332 -2.8907 -2.8907 -2.6363 -2.6363 0.2211 0.2211 0.3206 0.3206 1.3317 1.3317 1.9634 1.9634 2.3883 2.3883 2.5567 2.5567 3.9261 3.9261 4.0710 4.0710 5.6798 5.6798 5.9738 5.9738 11.3264 11.3264 11.5636 11.5636 k = 0.4796 0.4796 0.4441 ( 8942 PWs) bands (ev): -14.9882 -14.9882 -8.8718 -8.8718 -4.0580 -4.0580 -3.8334 -3.8334 -2.8875 -2.8875 -2.6356 -2.6356 0.2192 0.2192 0.3192 0.3192 1.3307 1.3307 1.9639 1.9639 2.3876 2.3876 2.5525 2.5525 3.9229 3.9229 4.0688 4.0688 5.6875 5.6875 5.9819 5.9819 11.3183 11.3183 11.5700 11.5700 k = 0.4694 0.4694 0.4441 ( 8946 PWs) bands (ev): -14.9886 -14.9886 -8.8726 -8.8726 -4.0551 -4.0551 -3.8337 -3.8337 -2.8821 -2.8821 -2.6345 -2.6345 0.2159 0.2159 0.3168 0.3168 1.3291 1.3291 1.9649 1.9649 2.3865 2.3865 2.5456 2.5456 3.9175 3.9175 4.0654 4.0654 5.6999 5.6999 5.9954 5.9954 11.3045 11.3045 11.5801 11.5801 k = 0.4592 0.4592 0.4441 ( 8950 PWs) bands (ev): -14.9890 -14.9890 -8.8737 -8.8737 -4.0512 -4.0512 -3.8341 -3.8341 -2.8746 -2.8746 -2.6329 -2.6329 0.2111 0.2111 0.3138 0.3138 1.3269 1.3269 1.9662 1.9662 2.3850 2.3850 2.5361 2.5361 3.9098 3.9098 4.0611 4.0611 5.7169 5.7169 6.0146 6.0146 11.2847 11.2847 11.5925 11.5925 k = 0.4490 0.4490 0.4441 ( 8954 PWs) bands (ev): -14.9895 -14.9895 -8.8751 -8.8751 -4.0463 -4.0463 -3.8345 -3.8345 -2.8651 -2.8651 -2.6307 -2.6307 0.2048 0.2048 0.3102 0.3102 1.3241 1.3241 1.9679 1.9679 2.3831 2.3831 2.5242 2.5242 3.8997 3.8997 4.0560 4.0560 5.7378 5.7378 6.0395 6.0395 11.2588 11.2588 11.6038 11.6038 k = 0.4388 0.4388 0.4441 ( 8958 PWs) bands (ev): -14.9902 -14.9902 -8.8767 -8.8767 -4.0406 -4.0406 -3.8350 -3.8350 -2.8538 -2.8538 -2.6279 -2.6279 0.1967 0.1967 0.3063 0.3063 1.3208 1.3208 1.9699 1.9699 2.3808 2.3808 2.5101 2.5101 3.8873 3.8873 4.0504 4.0504 5.7623 5.7623 6.0705 6.0705 11.2272 11.2272 11.6043 11.6043 k = 0.4286 0.4286 0.4441 ( 8966 PWs) bands (ev): -14.9910 -14.9910 -8.8786 -8.8786 -4.0342 -4.0342 -3.8355 -3.8355 -2.8408 -2.8408 -2.6243 -2.6243 0.1868 0.1868 0.3021 0.3021 1.3170 1.3170 1.9721 1.9721 2.3780 2.3780 2.4941 2.4941 3.8726 3.8726 4.0447 4.0447 5.7897 5.7897 6.1075 6.1075 11.1905 11.1905 11.5907 11.5907 k = 0.4184 0.4184 0.4441 ( 8980 PWs) bands (ev): -14.9919 -14.9919 -8.8806 -8.8806 -4.0272 -4.0272 -3.8359 -3.8359 -2.8263 -2.8263 -2.6198 -2.6198 0.1750 0.1750 0.2980 0.2980 1.3128 1.3128 1.9745 1.9745 2.3749 2.3749 2.4764 2.4764 3.8558 3.8558 4.0391 4.0391 5.8195 5.8195 6.1506 6.1506 11.1498 11.1498 11.5721 11.5721 k = 0.4082 0.4082 0.4441 ( 8984 PWs) bands (ev): -14.9930 -14.9930 -8.8828 -8.8828 -4.0199 -4.0199 -3.8361 -3.8361 -2.8106 -2.8106 -2.6142 -2.6142 0.1615 0.1615 0.2940 0.2940 1.3082 1.3082 1.9771 1.9771 2.3713 2.3713 2.4573 2.4573 3.8372 3.8372 4.0335 4.0335 5.8515 5.8515 6.1996 6.1996 11.1060 11.1060 11.5513 11.5513 k = 0.3980 0.3980 0.4441 ( 8984 PWs) bands (ev): -14.9941 -14.9941 -8.8850 -8.8850 -4.0126 -4.0126 -3.8359 -3.8359 -2.7940 -2.7940 -2.6074 -2.6074 0.1462 0.1462 0.2902 0.2902 1.3034 1.3034 1.9798 1.9798 2.3672 2.3672 2.4373 2.4373 3.8170 3.8170 4.0282 4.0282 5.8853 5.8853 6.2544 6.2544 11.0602 11.0602 11.5281 11.5281 k = 0.3878 0.3878 0.4441 ( 8998 PWs) bands (ev): -14.9954 -14.9954 -8.8873 -8.8873 -4.0054 -4.0054 -3.8353 -3.8353 -2.7768 -2.7768 -2.5990 -2.5990 0.1293 0.1293 0.2865 0.2865 1.2983 1.2983 1.9826 1.9826 2.3624 2.3624 2.4168 2.4168 3.7956 3.7956 4.0231 4.0231 5.9207 5.9207 6.3144 6.3144 11.0133 11.0133 11.5013 11.5013 k = 0.3776 0.3776 0.4441 ( 9006 PWs) bands (ev): -14.9967 -14.9967 -8.8896 -8.8896 -3.9988 -3.9988 -3.8341 -3.8341 -2.7597 -2.7597 -2.5888 -2.5888 0.1110 0.1110 0.2831 0.2831 1.2931 1.2931 1.9854 1.9854 2.3562 2.3562 2.3968 2.3968 3.7734 3.7734 4.0183 4.0183 5.9577 5.9577 6.3792 6.3792 10.9660 10.9660 11.4699 11.4699 k = 0.3673 0.3673 0.4441 ( 9004 PWs) bands (ev): -14.9982 -14.9982 -8.8919 -8.8919 -3.9929 -3.9929 -3.8319 -3.8319 -2.7429 -2.7429 -2.5765 -2.5765 0.0916 0.0916 0.2798 0.2798 1.2878 1.2878 1.9882 1.9882 2.3469 2.3469 2.3791 2.3791 3.7508 3.7508 4.0138 4.0138 5.9962 5.9962 6.4482 6.4482 10.9186 10.9186 11.4331 11.4331 k = 0.3571 0.3571 0.4441 ( 9004 PWs) bands (ev): -14.9998 -14.9998 -8.8940 -8.8940 -3.9882 -3.9882 -3.8287 -3.8287 -2.7268 -2.7268 -2.5621 -2.5621 0.0714 0.0714 0.2767 0.2767 1.2824 1.2824 1.9908 1.9908 2.3323 2.3323 2.3664 2.3664 3.7282 3.7282 4.0094 4.0094 6.0362 6.0362 6.5207 6.5207 10.8715 10.8715 11.3907 11.3907 k = 0.3469 0.3469 0.4441 ( 9008 PWs) bands (ev): -15.0014 -15.0014 -8.8960 -8.8960 -3.9849 -3.9849 -3.8242 -3.8242 -2.7119 -2.7119 -2.5453 -2.5453 0.0507 0.0507 0.2737 0.2737 1.2772 1.2772 1.9933 1.9933 2.3131 2.3131 2.3581 2.3581 3.7060 3.7060 4.0053 4.0053 6.0776 6.0776 6.5962 6.5962 10.8249 10.8249 11.3428 11.3428 k = 0.3367 0.3367 0.4441 ( 8996 PWs) bands (ev): -15.0032 -15.0032 -8.8979 -8.8979 -3.9832 -3.9832 -3.8185 -3.8185 -2.6980 -2.6980 -2.5265 -2.5265 0.0298 0.0298 0.2708 0.2708 1.2720 1.2720 1.9955 1.9955 2.2918 2.2918 2.3520 2.3520 3.6845 3.6845 4.0014 4.0014 6.1205 6.1205 6.6739 6.6739 10.7787 10.7787 11.2896 11.2896 k = 0.3265 0.3265 0.4441 ( 8996 PWs) bands (ev): -15.0050 -15.0050 -8.8995 -8.8995 -3.9831 -3.9831 -3.8114 -3.8114 -2.6854 -2.6854 -2.5060 -2.5060 0.0090 0.0090 0.2681 0.2681 1.2670 1.2670 1.9975 1.9975 2.2698 2.2698 2.3467 2.3467 3.6640 3.6640 3.9977 3.9977 6.1647 6.1647 6.7530 6.7530 10.7327 10.7327 11.2294 11.2294 k = 0.3163 0.3163 0.4441 ( 9004 PWs) bands (ev): -15.0070 -15.0070 -8.9008 -8.9008 -3.9846 -3.9846 -3.8031 -3.8031 -2.6736 -2.6736 -2.4843 -2.4843 -0.0112 -0.0112 0.2654 0.2654 1.2623 1.2623 1.9991 1.9991 2.2477 2.2477 2.3419 2.3419 3.6448 3.6448 3.9942 3.9942 6.2103 6.2103 6.8330 6.8330 10.6865 10.6865 11.1503 11.1503 k = 0.3061 0.3061 0.4441 ( 9000 PWs) bands (ev): -15.0090 -15.0090 -8.9019 -8.9019 -3.9876 -3.9876 -3.7938 -3.7938 -2.6627 -2.6627 -2.4619 -2.4619 -0.0306 -0.0306 0.2629 0.2629 1.2579 1.2579 2.0003 2.0003 2.2260 2.2260 2.3374 2.3374 3.6271 3.6271 3.9910 3.9910 6.2572 6.2572 6.9130 6.9130 10.6396 10.6396 11.0367 11.0367 k = 0.2959 0.2959 0.4441 ( 8998 PWs) bands (ev): -15.0110 -15.0110 -8.9026 -8.9026 -3.9919 -3.9919 -3.7837 -3.7837 -2.6523 -2.6523 -2.4394 -2.4394 -0.0487 -0.0487 0.2605 0.2605 1.2538 1.2538 2.0011 2.0011 2.2049 2.2049 2.3331 2.3331 3.6112 3.6112 3.9880 3.9880 6.3053 6.3053 6.9922 6.9922 10.5914 10.5914 10.9073 10.9073 k = 0.2857 0.2857 0.4441 ( 8994 PWs) bands (ev): -15.0132 -15.0132 -8.9030 -8.9030 -3.9974 -3.9974 -3.7730 -3.7730 -2.6423 -2.6423 -2.4174 -2.4174 -0.0651 -0.0651 0.2582 0.2582 1.2501 1.2501 2.0013 2.0013 2.1843 2.1843 2.3289 2.3289 3.5972 3.5972 3.9853 3.9853 6.3545 6.3545 7.0700 7.0700 10.5415 10.5415 10.7754 10.7754 k = 0.2755 0.2755 0.4441 ( 8996 PWs) bands (ev): -15.0154 -15.0154 -8.9030 -8.9030 -4.0040 -4.0040 -3.7618 -3.7618 -2.6326 -2.6326 -2.3963 -2.3963 -0.0796 -0.0796 0.2560 0.2560 1.2469 1.2469 2.0010 2.0010 2.1646 2.1646 2.3249 2.3249 3.5853 3.5853 3.9828 3.9828 6.4047 6.4047 7.1455 7.1455 10.4896 10.4896 10.6443 10.6443 k = 0.2653 0.2653 0.4441 ( 9008 PWs) bands (ev): -15.0176 -15.0176 -8.9026 -8.9026 -4.0113 -4.0113 -3.7504 -3.7504 -2.6230 -2.6230 -2.3767 -2.3767 -0.0919 -0.0919 0.2539 0.2539 1.2441 1.2441 2.0000 2.0000 2.1457 2.1457 2.3211 2.3211 3.5757 3.5757 3.9806 3.9806 6.4557 6.4557 7.2179 7.2179 10.4357 10.4357 10.5152 10.5152 k = 0.2551 0.2551 0.4441 ( 9000 PWs) bands (ev): -15.0198 -15.0198 -8.9019 -8.9019 -4.0194 -4.0194 -3.7390 -3.7390 -2.6135 -2.6135 -2.3589 -2.3589 -0.1015 -0.1015 0.2520 0.2520 1.2418 1.2418 1.9985 1.9985 2.1278 2.1278 2.3174 2.3174 3.5684 3.5684 3.9788 3.9788 6.5075 6.5075 7.2865 7.2865 10.3793 10.3793 10.3896 10.3896 k = 0.2449 0.2449 0.4441 ( 9000 PWs) bands (ev): -15.0221 -15.0221 -8.9008 -8.9008 -4.0281 -4.0281 -3.7275 -3.7275 -2.6041 -2.6041 -2.3432 -2.3432 -0.1085 -0.1085 0.2503 0.2503 1.2400 1.2400 1.9962 1.9962 2.1110 2.1110 2.3140 2.3140 3.5634 3.5634 3.9773 3.9773 6.5598 6.5598 7.3506 7.3506 10.2644 10.2644 10.3247 10.3247 k = 0.2347 0.2347 0.4441 ( 8990 PWs) bands (ev): -15.0244 -15.0244 -8.8993 -8.8993 -4.0373 -4.0373 -3.7163 -3.7163 -2.5947 -2.5947 -2.3299 -2.3299 -0.1125 -0.1125 0.2487 0.2487 1.2388 1.2388 1.9932 1.9932 2.0952 2.0952 2.3107 2.3107 3.5609 3.5609 3.9761 3.9761 6.6125 6.6125 7.4095 7.4095 10.1439 10.1439 10.2685 10.2685 k = 0.2245 0.2245 0.4441 ( 9006 PWs) bands (ev): -15.0268 -15.0268 -8.8974 -8.8974 -4.0469 -4.0469 -3.7053 -3.7053 -2.5854 -2.5854 -2.3192 -2.3192 -0.1136 -0.1136 0.2473 0.2473 1.2382 1.2382 1.9894 1.9894 2.0805 2.0805 2.3076 2.3076 3.5607 3.5607 3.9753 3.9753 6.6654 6.6654 7.4628 7.4628 10.0267 10.0267 10.2132 10.2132 k = 0.2143 0.2143 0.4441 ( 9008 PWs) bands (ev): -15.0291 -15.0291 -8.8952 -8.8952 -4.0567 -4.0567 -3.6947 -3.6947 -2.5761 -2.5761 -2.3110 -2.3110 -0.1118 -0.1118 0.2462 0.2462 1.2381 1.2381 1.9849 1.9849 2.0670 2.0670 2.3047 2.3047 3.5629 3.5629 3.9750 3.9750 6.7183 6.7183 7.5099 7.5099 9.9131 9.9131 10.1594 10.1594 k = 0.2041 0.2041 0.4441 ( 9004 PWs) bands (ev): -15.0314 -15.0314 -8.8927 -8.8927 -4.0667 -4.0667 -3.6845 -3.6845 -2.5669 -2.5669 -2.3054 -2.3054 -0.1072 -0.1072 0.2453 0.2453 1.2385 1.2385 1.9796 1.9796 2.0547 2.0547 2.3021 2.3021 3.5673 3.5673 3.9751 3.9751 6.7709 6.7709 7.5507 7.5507 9.8033 9.8033 10.1079 10.1079 k = 0.1939 0.1939 0.4441 ( 9004 PWs) bands (ev): -15.0336 -15.0336 -8.8899 -8.8899 -4.0768 -4.0768 -3.6748 -3.6748 -2.5578 -2.5578 -2.3023 -2.3023 -0.1000 -0.1000 0.2446 0.2446 1.2396 1.2396 1.9737 1.9737 2.0435 2.0435 2.2996 2.2996 3.5739 3.5739 3.9756 3.9756 6.8231 6.8231 7.5851 7.5851 9.6975 9.6975 10.0589 10.0589 k = 0.1837 0.1837 0.4441 ( 9008 PWs) bands (ev): -15.0359 -15.0359 -8.8868 -8.8868 -4.0869 -4.0869 -3.6656 -3.6656 -2.5489 -2.5489 -2.3016 -2.3016 -0.0905 -0.0905 0.2443 0.2443 1.2411 1.2411 1.9670 1.9670 2.0334 2.0334 2.2974 2.2974 3.5825 3.5825 3.9767 3.9767 6.8745 6.8745 7.6132 7.6132 9.5959 9.5959 10.0129 10.0129 k = 0.1735 0.1735 0.4441 ( 9000 PWs) bands (ev): -15.0381 -15.0381 -8.8835 -8.8835 -4.0969 -4.0969 -3.6571 -3.6571 -2.5403 -2.5403 -2.3029 -2.3029 -0.0789 -0.0789 0.2444 0.2444 1.2432 1.2432 1.9599 1.9599 2.0242 2.0242 2.2954 2.2954 3.5929 3.5929 3.9783 3.9783 6.9248 6.9248 7.6353 7.6353 9.4987 9.4987 9.9701 9.9701 k = 0.1633 0.1633 0.4441 ( 9004 PWs) bands (ev): -15.0402 -15.0402 -8.8800 -8.8800 -4.1068 -4.1068 -3.6491 -3.6491 -2.5319 -2.5319 -2.3061 -2.3061 -0.0657 -0.0657 0.2448 0.2448 1.2458 1.2458 1.9525 1.9525 2.0160 2.0160 2.2936 2.2936 3.6049 3.6049 3.9805 3.9805 6.9738 6.9738 7.6519 7.6519 9.4060 9.4060 9.9306 9.9306 k = 0.1531 0.1531 0.4441 ( 9012 PWs) bands (ev): -15.0423 -15.0423 -8.8764 -8.8764 -4.1165 -4.1165 -3.6418 -3.6418 -2.5240 -2.5240 -2.3107 -2.3107 -0.0514 -0.0514 0.2457 0.2457 1.2489 1.2489 1.9448 1.9448 2.0085 2.0085 2.2920 2.2920 3.6181 3.6181 3.9832 3.9832 7.0211 7.0211 7.6635 7.6635 9.3179 9.3179 9.8944 9.8944 k = 0.1429 0.1429 0.4441 ( 9004 PWs) bands (ev): -15.0443 -15.0443 -8.8727 -8.8727 -4.1260 -4.1260 -3.6351 -3.6351 -2.5164 -2.5164 -2.3166 -2.3166 -0.0362 -0.0362 0.2470 0.2470 1.2524 1.2524 1.9370 1.9370 2.0016 2.0016 2.2906 2.2906 3.6324 3.6324 3.9867 3.9867 7.0662 7.0662 7.6710 7.6710 9.2347 9.2347 9.8614 9.8614 k = 0.1327 0.1327 0.4441 ( 9004 PWs) bands (ev): -15.0462 -15.0462 -8.8689 -8.8689 -4.1350 -4.1350 -3.6291 -3.6291 -2.5094 -2.5094 -2.3232 -2.3232 -0.0208 -0.0208 0.2488 0.2488 1.2562 1.2562 1.9292 1.9292 1.9953 1.9953 2.2894 2.2894 3.6473 3.6473 3.9907 3.9907 7.1089 7.1089 7.6752 7.6752 9.1565 9.1565 9.8316 9.8316 k = 0.1224 0.1224 0.4441 ( 9004 PWs) bands (ev): -15.0480 -15.0480 -8.8652 -8.8652 -4.1437 -4.1437 -3.6237 -3.6237 -2.5029 -2.5029 -2.3304 -2.3304 -0.0055 -0.0055 0.2511 0.2511 1.2603 1.2603 1.9216 1.9216 1.9896 1.9896 2.2884 2.2884 3.6626 3.6626 3.9955 3.9955 7.1486 7.1486 7.6769 7.6769 9.0835 9.0835 9.8048 9.8048 k = 0.1122 0.1122 0.4441 ( 9008 PWs) bands (ev): -15.0497 -15.0497 -8.8615 -8.8615 -4.1519 -4.1519 -3.6190 -3.6190 -2.4971 -2.4971 -2.3377 -2.3377 0.0094 0.0094 0.2539 0.2539 1.2647 1.2647 1.9142 1.9142 1.9843 1.9843 2.2876 2.2876 3.6778 3.6778 4.0009 4.0009 7.1850 7.1850 7.6770 7.6770 9.0157 9.0157 9.7809 9.7809 k = 0.1020 0.1020 0.4441 ( 9012 PWs) bands (ev): -15.0513 -15.0513 -8.8579 -8.8579 -4.1596 -4.1596 -3.6148 -3.6148 -2.4921 -2.4921 -2.3449 -2.3449 0.0234 0.0234 0.2572 0.2572 1.2692 1.2692 1.9070 1.9070 1.9796 1.9796 2.2869 2.2869 3.6926 3.6926 4.0069 4.0069 7.2176 7.2176 7.6763 7.6763 8.9534 8.9534 9.7597 9.7597 k = 0.0918 0.0918 0.4441 ( 9002 PWs) bands (ev): -15.0527 -15.0527 -8.8545 -8.8545 -4.1667 -4.1667 -3.6113 -3.6113 -2.4878 -2.4878 -2.3516 -2.3516 0.0363 0.0363 0.2609 0.2609 1.2737 1.2737 1.9003 1.9003 1.9753 1.9753 2.2864 2.2864 3.7067 3.7067 4.0134 4.0134 7.2461 7.2461 7.6757 7.6757 8.8965 8.8965 9.7410 9.7410 k = 0.0816 0.0816 0.4441 ( 9014 PWs) bands (ev): -15.0541 -15.0541 -8.8513 -8.8513 -4.1732 -4.1732 -3.6083 -3.6083 -2.4844 -2.4844 -2.3577 -2.3577 0.0478 0.0478 0.2650 0.2650 1.2782 1.2782 1.8939 1.8939 1.9715 1.9715 2.2860 2.2860 3.7198 3.7198 4.0203 4.0203 7.2703 7.2703 7.6757 7.6757 8.8454 8.8454 9.7247 9.7247 k = 0.0714 0.0714 0.4441 ( 9014 PWs) bands (ev): -15.0553 -15.0553 -8.8484 -8.8484 -4.1790 -4.1790 -3.6057 -3.6057 -2.4818 -2.4818 -2.3630 -2.3630 0.0580 0.0580 0.2692 0.2692 1.2825 1.2825 1.8880 1.8880 1.9682 1.9682 2.2857 2.2857 3.7317 3.7317 4.0273 4.0273 7.2901 7.2901 7.6766 7.6766 8.8000 8.8000 9.7107 9.7107 k = 0.0612 0.0612 0.4441 ( 9010 PWs) bands (ev): -15.0563 -15.0563 -8.8457 -8.8457 -4.1842 -4.1842 -3.6037 -3.6037 -2.4799 -2.4799 -2.3675 -2.3675 0.0666 0.0666 0.2735 0.2735 1.2865 1.2865 1.8827 1.8827 1.9653 1.9653 2.2854 2.2854 3.7421 3.7421 4.0343 4.0343 7.3056 7.3056 7.6785 7.6785 8.7604 8.7604 9.6988 9.6988 k = 0.0510 0.0510 0.4441 ( 9008 PWs) bands (ev): -15.0572 -15.0572 -8.8434 -8.8434 -4.1886 -4.1886 -3.6020 -3.6020 -2.4788 -2.4788 -2.3710 -2.3710 0.0738 0.0738 0.2775 0.2775 1.2901 1.2901 1.8780 1.8780 1.9629 1.9629 2.2853 2.2853 3.7511 3.7511 4.0410 4.0410 7.3174 7.3174 7.6813 7.6813 8.7268 8.7268 9.6889 9.6889 k = 0.0408 0.0408 0.4441 ( 9006 PWs) bands (ev): -15.0579 -15.0579 -8.8415 -8.8415 -4.1923 -4.1923 -3.6007 -3.6007 -2.4781 -2.4781 -2.3737 -2.3737 0.0795 0.0795 0.2812 0.2812 1.2932 1.2932 1.8741 1.8741 1.9609 1.9609 2.2852 2.2852 3.7584 3.7584 4.0469 4.0469 7.3258 7.3258 7.6845 7.6845 8.6992 8.6992 9.6809 9.6809 k = 0.0306 0.0306 0.4441 ( 9006 PWs) bands (ev): -15.0585 -15.0585 -8.8400 -8.8400 -4.1951 -4.1951 -3.5997 -3.5997 -2.4779 -2.4779 -2.3756 -2.3756 0.0839 0.0839 0.2843 0.2843 1.2958 1.2958 1.8709 1.8709 1.9594 1.9594 2.2851 2.2851 3.7640 3.7640 4.0520 4.0520 7.3315 7.3315 7.6878 7.6878 8.6776 8.6776 9.6748 9.6748 k = 0.0204 0.0204 0.4441 ( 9000 PWs) bands (ev): -15.0589 -15.0589 -8.8388 -8.8388 -4.1972 -4.1972 -3.5991 -3.5991 -2.4778 -2.4778 -2.3769 -2.3769 0.0869 0.0869 0.2866 0.2866 1.2977 1.2977 1.8686 1.8686 1.9583 1.9583 2.2851 2.2851 3.7681 3.7681 4.0557 4.0557 7.3352 7.3352 7.6905 7.6905 8.6622 8.6622 9.6704 9.6704 k = 0.0102 0.0102 0.4441 ( 9004 PWs) bands (ev): -15.0592 -15.0592 -8.8382 -8.8382 -4.1984 -4.1984 -3.5987 -3.5987 -2.4778 -2.4778 -2.3776 -2.3776 0.0887 0.0887 0.2881 0.2881 1.2988 1.2988 1.8672 1.8672 1.9577 1.9577 2.2851 2.2851 3.7705 3.7705 4.0581 4.0581 7.3372 7.3372 7.6923 7.6923 8.6529 8.6529 9.6678 9.6678 k = 0.0000 0.0000 0.4441 ( 8980 PWs) bands (ev): -15.0593 -15.0593 -8.8379 -8.8379 -4.1988 -4.1988 -3.5985 -3.5985 -2.4779 -2.4779 -2.3779 -2.3779 0.0893 0.0893 0.2886 0.2886 1.2992 1.2992 1.8668 1.8668 1.9575 1.9575 2.2851 2.2851 3.7713 3.7713 4.0589 4.0589 7.3378 7.3378 7.6929 7.6929 8.6499 8.6499 9.6670 9.6670 k = 0.0000 0.5000-0.0000 ( 8964 PWs) bands (ev): -15.0239 -15.0239 -9.1451 -9.1451 -3.7634 -3.7634 -2.5123 -2.5123 -2.2650 -2.2650 -2.1581 -2.1581 -0.4639 -0.4639 0.5334 0.5334 0.5648 0.5648 1.6063 1.6063 1.7149 1.7149 1.8362 1.8362 2.2602 2.2602 2.6684 2.6684 6.8934 6.8934 10.5173 10.5173 10.5242 10.5242 10.5817 10.5817 k = 0.0000 0.5000 0.0143 ( 8970 PWs) bands (ev): -15.0239 -15.0239 -9.1446 -9.1446 -3.7635 -3.7635 -2.5144 -2.5144 -2.2668 -2.2668 -2.1622 -2.1622 -0.4549 -0.4549 0.5317 0.5317 0.5613 0.5613 1.6004 1.6004 1.7101 1.7101 1.8555 1.8555 2.2602 2.2602 2.6683 2.6683 6.8943 6.8943 10.5172 10.5172 10.5221 10.5221 10.5783 10.5783 k = 0.0000 0.5000 0.0287 ( 8972 PWs) bands (ev): -15.0238 -15.0238 -9.1433 -9.1433 -3.7638 -3.7638 -2.5212 -2.5212 -2.2727 -2.2727 -2.1732 -2.1732 -0.4285 -0.4285 0.5267 0.5267 0.5511 0.5511 1.5808 1.5808 1.7103 1.7103 1.9003 1.9003 2.2602 2.2602 2.6682 2.6682 6.8968 6.8968 10.5107 10.5107 10.5206 10.5206 10.5693 10.5693 k = 0.0000 0.5000 0.0430 ( 8980 PWs) bands (ev): -15.0237 -15.0237 -9.1410 -9.1410 -3.7642 -3.7642 -2.5337 -2.5337 -2.2841 -2.2841 -2.1872 -2.1872 -0.3864 -0.3864 0.5183 0.5183 0.5352 0.5352 1.5499 1.5499 1.7260 1.7260 1.9569 1.9569 2.2603 2.2603 2.6681 2.6681 6.9009 6.9009 10.4925 10.4925 10.5220 10.5220 10.5581 10.5581 k = 0.0000 0.5000 0.0573 ( 8974 PWs) bands (ev): -15.0236 -15.0236 -9.1378 -9.1378 -3.7647 -3.7647 -2.5534 -2.5534 -2.3016 -2.3016 -2.1998 -2.1998 -0.3306 -0.3306 0.5060 0.5060 0.5153 0.5153 1.5146 1.5146 1.7544 1.7544 2.0199 2.0199 2.2606 2.2606 2.6680 2.6680 6.9063 6.9063 10.4620 10.4620 10.5221 10.5221 10.5495 10.5495 k = 0.0000 0.5000 0.0716 ( 8970 PWs) bands (ev): -15.0235 -15.0235 -9.1337 -9.1337 -3.7654 -3.7654 -2.5824 -2.5824 -2.3235 -2.3235 -2.2087 -2.2087 -0.2641 -0.2641 0.4865 0.4865 0.4964 0.4964 1.4791 1.4791 1.7918 1.7918 2.0874 2.0874 2.2611 2.2611 2.6681 2.6681 6.9128 6.9128 10.4183 10.4183 10.5172 10.5172 10.5476 10.5476 k = 0.0000 0.5000 0.0860 ( 8990 PWs) bands (ev): -15.0233 -15.0233 -9.1289 -9.1289 -3.7662 -3.7662 -2.6222 -2.6222 -2.3455 -2.3455 -2.2144 -2.2144 -0.1898 -0.1898 0.4614 0.4614 0.4790 0.4790 1.4452 1.4452 1.8356 1.8356 2.1581 2.1581 2.2621 2.2621 2.6685 2.6685 6.9200 6.9200 10.3606 10.3606 10.5070 10.5070 10.5514 10.5514 k = 0.0000 0.5000 0.1003 ( 8980 PWs) bands (ev): -15.0232 -15.0232 -9.1232 -9.1232 -3.7672 -3.7672 -2.6726 -2.6726 -2.3647 -2.3647 -2.2179 -2.2179 -0.1112 -0.1112 0.4359 0.4359 0.4607 0.4607 1.4136 1.4136 1.8838 1.8838 2.2314 2.2314 2.2642 2.2642 2.6694 2.6694 6.9275 6.9275 10.2864 10.2864 10.4934 10.4934 10.5143 10.5143 k = 0.0000 0.5000 0.1146 ( 8966 PWs) bands (ev): -15.0229 -15.0229 -9.1168 -9.1168 -3.7683 -3.7683 -2.7321 -2.7321 -2.3802 -2.3802 -2.2201 -2.2201 -0.0328 -0.0328 0.4131 0.4131 0.4423 0.4423 1.3847 1.3847 1.9343 1.9343 2.2662 2.2662 2.3082 2.3082 2.6711 2.6711 6.9347 6.9347 10.1949 10.1949 10.4355 10.4355 10.4798 10.4798 k = 0.0000 0.5000 0.1289 ( 8968 PWs) bands (ev): -15.0227 -15.0227 -9.1096 -9.1096 -3.7696 -3.7696 -2.7982 -2.7982 -2.3925 -2.3925 -2.2214 -2.2214 0.0379 0.0379 0.3946 0.3946 0.4290 0.4290 1.3586 1.3586 1.9852 1.9852 2.2714 2.2714 2.3857 2.3857 2.6740 2.6740 6.9410 6.9410 10.0890 10.0890 10.3702 10.3702 10.4633 10.4633 k = 0.0000 0.5000 0.1433 ( 8968 PWs) bands (ev): -15.0225 -15.0225 -9.1019 -9.1019 -3.7709 -3.7709 -2.8686 -2.8686 -2.4023 -2.4023 -2.2222 -2.2222 0.0903 0.0903 0.3762 0.3762 0.4358 0.4358 1.3350 1.3350 2.0337 2.0337 2.2797 2.2797 2.4649 2.4649 2.6789 2.6789 6.9460 6.9460 9.9739 9.9739 10.3149 10.3149 10.4455 10.4455 k = 0.0000 0.5000 0.1576 ( 8974 PWs) bands (ev): -15.0222 -15.0222 -9.0936 -9.0936 -3.7723 -3.7723 -2.9416 -2.9416 -2.4104 -2.4104 -2.2226 -2.2226 0.1149 0.1149 0.3536 0.3536 0.4758 0.4758 1.3139 1.3139 2.0767 2.0767 2.2928 2.2928 2.5454 2.5454 2.6864 2.6864 6.9488 6.9488 9.8538 9.8538 10.2678 10.2678 10.4265 10.4265 k = 0.0000 0.5000 0.1719 ( 8978 PWs) bands (ev): -15.0219 -15.0219 -9.0848 -9.0848 -3.7738 -3.7738 -3.0156 -3.0156 -2.4174 -2.4174 -2.2228 -2.2228 0.1145 0.1145 0.3286 0.3286 0.5445 0.5445 1.2951 1.2951 2.1111 2.1111 2.3121 2.3121 2.6268 2.6268 2.6979 2.6979 6.9490 6.9490 9.7315 9.7315 10.2282 10.2282 10.4064 10.4064 k = 0.0000 0.5000 0.1862 ( 8970 PWs) bands (ev): -15.0216 -15.0216 -9.0756 -9.0756 -3.7754 -3.7754 -3.0896 -3.0896 -2.4235 -2.4235 -2.2227 -2.2227 0.0990 0.0990 0.3025 0.3025 0.6303 0.6303 1.2784 1.2784 2.1354 2.1354 2.3371 2.3371 2.7084 2.7084 2.7149 2.7149 6.9459 6.9459 9.6085 9.6085 10.1963 10.1963 10.3853 10.3853 k = 0.0000 0.5000 0.2006 ( 8964 PWs) bands (ev): -15.0214 -15.0214 -9.0660 -9.0660 -3.7771 -3.7771 -3.1626 -3.1626 -2.4289 -2.4289 -2.2225 -2.2225 0.0762 0.0762 0.2760 0.2760 0.7247 0.7247 1.2637 1.2637 2.1507 2.1507 2.3647 2.3647 2.7382 2.7382 2.7909 2.7909 6.9390 6.9390 9.4862 9.4862 10.1724 10.1724 10.3637 10.3637 k = 0.0000 0.5000 0.2149 ( 8984 PWs) bands (ev): -15.0211 -15.0211 -9.0563 -9.0563 -3.7788 -3.7788 -3.2340 -3.2340 -2.4340 -2.4340 -2.2222 -2.2222 0.0500 0.0500 0.2497 0.2497 0.8229 0.8229 1.2508 1.2508 2.1594 2.1594 2.3907 2.3907 2.7699 2.7699 2.8729 2.8729 6.9280 6.9280 9.3654 9.3654 10.1566 10.1566 10.3418 10.3418 k = 0.0000 0.5000 0.2292 ( 8976 PWs) bands (ev): -15.0208 -15.0208 -9.0464 -9.0464 -3.7805 -3.7805 -3.3033 -3.3033 -2.4386 -2.4386 -2.2217 -2.2217 0.0227 0.0227 0.2238 0.2238 0.9222 0.9222 1.2398 1.2398 2.1638 2.1638 2.4120 2.4120 2.8101 2.8101 2.9543 2.9543 6.9126 6.9126 9.2469 9.2469 10.1490 10.1490 10.3204 10.3204 k = 0.0000 0.5000 0.2436 ( 8980 PWs) bands (ev): -15.0205 -15.0205 -9.0364 -9.0364 -3.7822 -3.7822 -3.3699 -3.3699 -2.4430 -2.4430 -2.2211 -2.2211 -0.0046 -0.0046 0.1986 0.1986 1.0202 1.0202 1.2310 1.2310 2.1655 2.1655 2.4275 2.4275 2.8577 2.8577 3.0347 3.0347 6.8929 6.8929 9.1312 9.1312 10.1483 10.1483 10.3009 10.3009 k = 0.0000 0.5000 0.2579 ( 8988 PWs) bands (ev): -15.0202 -15.0202 -9.0266 -9.0266 -3.7839 -3.7839 -3.4334 -3.4334 -2.4471 -2.4471 -2.2205 -2.2205 -0.0312 -0.0312 0.1743 0.1743 1.1133 1.1133 1.2268 1.2268 2.1652 2.1652 2.4375 2.4375 2.9110 2.9110 3.1137 3.1137 6.8689 6.8689 9.0192 9.0192 10.1519 10.1519 10.2863 10.2863 k = 0.0000 0.5000 0.2722 ( 8984 PWs) bands (ev): -15.0199 -15.0199 -9.0169 -9.0169 -3.7856 -3.7856 -3.4935 -3.4935 -2.4509 -2.4509 -2.2199 -2.2199 -0.0566 -0.0566 0.1512 0.1512 1.1804 1.1804 1.2474 1.2474 2.1636 2.1636 2.4429 2.4429 2.9681 2.9681 3.1907 3.1907 6.8412 6.8412 8.9115 8.9115 10.1543 10.1543 10.2818 10.2818 k = 0.0000 0.5000 0.2865 ( 8984 PWs) bands (ev): -15.0196 -15.0196 -9.0074 -9.0074 -3.7872 -3.7872 -3.5499 -3.5499 -2.4544 -2.4544 -2.2192 -2.2192 -0.0807 -0.0807 0.1295 0.1295 1.1915 1.1915 1.3219 1.3219 2.1611 2.1611 2.4446 2.4446 3.0269 3.0269 3.2652 3.2652 6.8102 6.8102 8.8086 8.8086 10.1491 10.1491 10.2935 10.2935 k = 0.0000 0.5000 0.3009 ( 9002 PWs) bands (ev): -15.0193 -15.0193 -8.9984 -8.9984 -3.7888 -3.7888 -3.6022 -3.6022 -2.4577 -2.4577 -2.2185 -2.2185 -0.1030 -0.1030 0.1092 0.1092 1.1888 1.1888 1.4075 1.4075 2.1576 2.1576 2.4435 2.4435 3.0859 3.0859 3.3366 3.3366 6.7768 6.7768 8.7113 8.7113 10.1354 10.1354 10.3214 10.3214 k = 0.0000 0.5000 0.3152 ( 8994 PWs) bands (ev): -15.0191 -15.0191 -8.9898 -8.9898 -3.7903 -3.7903 -3.6503 -3.6503 -2.4607 -2.4607 -2.2178 -2.2178 -0.1236 -0.1236 0.0905 0.0905 1.1846 1.1846 1.4911 1.4911 2.1533 2.1533 2.4401 2.4401 3.1437 3.1437 3.4044 3.4044 6.7418 6.7418 8.6203 8.6203 10.1166 10.1166 10.3610 10.3610 k = 0.0000 0.5000 0.3295 ( 8994 PWs) bands (ev): -15.0189 -15.0189 -8.9819 -8.9819 -3.7918 -3.7918 -3.6939 -3.6939 -2.4635 -2.4635 -2.2172 -2.2172 -0.1422 -0.1422 0.0735 0.0735 1.1804 1.1804 1.5708 1.5708 2.1482 2.1482 2.4351 2.4351 3.1989 3.1989 3.4677 3.4677 6.7063 6.7063 8.5363 8.5363 10.0959 10.0959 10.4075 10.4075 k = 0.0000 0.5000 0.3438 ( 9006 PWs) bands (ev): -15.0186 -15.0186 -8.9746 -8.9746 -3.7932 -3.7932 -3.7327 -3.7327 -2.4659 -2.4659 -2.2166 -2.2166 -0.1588 -0.1588 0.0584 0.0584 1.1765 1.1765 1.6455 1.6455 2.1421 2.1421 2.4288 2.4288 3.2506 3.2506 3.5260 3.5260 6.6713 6.6713 8.4599 8.4599 10.0750 10.0750 10.4571 10.4571 k = 0.0000 0.5000 0.3582 ( 8996 PWs) bands (ev): -15.0185 -15.0185 -8.9681 -8.9681 -3.7947 -3.7947 -3.7664 -3.7664 -2.4681 -2.4681 -2.2160 -2.2160 -0.1733 -0.1733 0.0451 0.0451 1.1732 1.1732 1.7148 1.7148 2.1349 2.1349 2.4217 2.4217 3.2977 3.2977 3.5785 3.5785 6.6380 6.6380 8.3919 8.3919 10.0552 10.0552 10.5059 10.5059 k = 0.0000 0.5000 0.3725 ( 9012 PWs) bands (ev): -15.0183 -15.0183 -8.9624 -8.9624 -3.8005 -3.8005 -3.7908 -3.7908 -2.4699 -2.4699 -2.2155 -2.2155 -0.1856 -0.1856 0.0337 0.0337 1.1703 1.1703 1.7780 1.7780 2.1263 2.1263 2.4142 2.4142 3.3392 3.3392 3.6245 3.6245 6.6075 6.6075 8.3329 8.3329 10.0372 10.0372 10.5504 10.5504 k = 0.0000 0.5000 0.3868 ( 9010 PWs) bands (ev): -15.0182 -15.0182 -8.9577 -8.9577 -3.8213 -3.8213 -3.7948 -3.7948 -2.4714 -2.4714 -2.2151 -2.2151 -0.1958 -0.1958 0.0244 0.0244 1.1680 1.1680 1.8347 1.8347 2.1160 2.1160 2.4068 2.4068 3.3745 3.3745 3.6633 3.6633 6.5808 6.5808 8.2836 8.2836 10.0216 10.0216 10.5879 10.5879 k = 0.0000 0.5000 0.4011 ( 9010 PWs) bands (ev): -15.0181 -15.0181 -8.9539 -8.9539 -3.8397 -3.8397 -3.7958 -3.7958 -2.4726 -2.4726 -2.2148 -2.2148 -0.2037 -0.2037 0.0171 0.0171 1.1662 1.1662 1.8841 1.8841 2.1039 2.1039 2.4001 2.4001 3.4027 3.4027 3.6942 3.6942 6.5590 6.5590 8.2446 8.2446 10.0089 10.0089 10.6170 10.6170 k = 0.0000 0.5000 0.4155 ( 9002 PWs) bands (ev): -15.0180 -15.0180 -8.9512 -8.9512 -3.8531 -3.8531 -3.7964 -3.7964 -2.4735 -2.4735 -2.2145 -2.2145 -0.2094 -0.2094 0.0119 0.0119 1.1649 1.1649 1.9249 1.9249 2.0905 2.0905 2.3947 2.3947 3.4233 3.4233 3.7168 3.7168 6.5427 6.5427 8.2164 8.2164 9.9996 9.9996 10.6372 10.6372 k = 0.0000 0.5000 0.4298 ( 9002 PWs) bands (ev): -15.0179 -15.0179 -8.9496 -8.9496 -3.8612 -3.8612 -3.7967 -3.7967 -2.4740 -2.4740 -2.2144 -2.2144 -0.2128 -0.2128 0.0087 0.0087 1.1641 1.1641 1.9542 1.9542 2.0780 2.0780 2.3912 2.3912 3.4359 3.4359 3.7305 3.7305 6.5327 6.5327 8.1994 8.1994 9.9939 9.9939 10.6490 10.6490 k = 0.0000 0.5000 0.4441 ( 9004 PWs) bands (ev): -15.0179 -15.0179 -8.9490 -8.9490 -3.8638 -3.8638 -3.7968 -3.7968 -2.4742 -2.4742 -2.2143 -2.2143 -0.2139 -0.2139 0.0076 0.0076 1.1639 1.1639 1.9656 1.9656 2.0722 2.0722 2.3900 2.3900 3.4401 3.4401 3.7351 3.7351 6.5293 6.5293 8.1936 8.1936 9.9919 9.9919 10.6529 10.6529 k = 0.5000 0.5000-0.0000 ( 9004 PWs) bands (ev): -14.9939 -14.9939 -9.0678 -9.0678 -4.0285 -4.0285 -2.8529 -2.8529 -2.4959 -2.4959 -2.3170 -2.3170 -0.3832 -0.3832 0.4938 0.4938 0.4994 0.4994 1.6520 1.6520 2.3467 2.3467 2.4708 2.4708 2.5950 2.5950 2.8739 2.8739 8.3282 8.3282 8.7314 8.7314 9.0511 9.0511 9.1354 9.1354 k = 0.5000 0.5000 0.0143 ( 9020 PWs) bands (ev): -14.9939 -14.9939 -9.0674 -9.0674 -4.0286 -4.0286 -2.8530 -2.8530 -2.4963 -2.4963 -2.3242 -2.3242 -0.3751 -0.3751 0.4935 0.4935 0.4989 0.4989 1.6497 1.6497 2.3468 2.3468 2.4756 2.4756 2.5969 2.5969 2.8744 2.8744 8.3051 8.3051 8.6980 8.6980 9.0563 9.0563 9.1600 9.1600 k = 0.5000 0.5000 0.0287 ( 9016 PWs) bands (ev): -14.9939 -14.9939 -9.0660 -9.0660 -4.0288 -4.0288 -2.8535 -2.8535 -2.4974 -2.4974 -2.3452 -2.3452 -0.3511 -0.3511 0.4927 0.4927 0.4976 0.4976 1.6427 1.6427 2.3469 2.3469 2.4900 2.4900 2.6026 2.6026 2.8758 2.8758 8.2428 8.2428 8.6160 8.6160 9.0688 9.0688 9.2268 9.2268 k = 0.5000 0.5000 0.0430 ( 9016 PWs) bands (ev): -14.9938 -14.9938 -9.0637 -9.0637 -4.0292 -4.0292 -2.8542 -2.8542 -2.4993 -2.4993 -2.3790 -2.3790 -0.3125 -0.3125 0.4914 0.4914 0.4955 0.4955 1.6317 1.6317 2.3473 2.3473 2.5131 2.5131 2.6119 2.6119 2.8784 2.8784 8.1547 8.1547 8.5110 8.5110 9.0869 9.0869 9.3224 9.3224 k = 0.5000 0.5000 0.0573 ( 9004 PWs) bands (ev): -14.9937 -14.9937 -9.0605 -9.0605 -4.0297 -4.0297 -2.8553 -2.8553 -2.5019 -2.5019 -2.4239 -2.4239 -0.2612 -0.2612 0.4900 0.4900 0.4924 0.4924 1.6173 1.6173 2.3478 2.3478 2.5443 2.5443 2.6243 2.6243 2.8825 2.8825 8.0517 8.0517 8.3960 8.3960 9.1110 9.1110 9.4358 9.4358 k = 0.5000 0.5000 0.0716 ( 9004 PWs) bands (ev): -14.9936 -14.9936 -9.0564 -9.0564 -4.0304 -4.0304 -2.8568 -2.8568 -2.5052 -2.5052 -2.4778 -2.4778 -0.1996 -0.1996 0.4886 0.4886 0.4889 0.4889 1.6005 1.6005 2.3486 2.3486 2.5826 2.5826 2.6392 2.6392 2.8884 2.8884 7.9406 7.9406 8.2767 8.2767 9.1412 9.1412 9.5602 9.5602 k = 0.5000 0.5000 0.0860 ( 8996 PWs) bands (ev): -14.9934 -14.9934 -9.0515 -9.0515 -4.0312 -4.0312 -2.8587 -2.8587 -2.5389 -2.5389 -2.5091 -2.5091 -0.1301 -0.1301 0.4839 0.4839 0.4890 0.4890 1.5821 1.5821 2.3497 2.3497 2.6270 2.6270 2.6557 2.6557 2.8969 2.8969 7.8252 7.8252 8.1558 8.1558 9.1778 9.1778 9.6916 9.6916 k = 0.5000 0.5000 0.1003 ( 8996 PWs) bands (ev): -14.9932 -14.9932 -9.0458 -9.0458 -4.0322 -4.0322 -2.8613 -2.8613 -2.6050 -2.6050 -2.5137 -2.5137 -0.0558 -0.0558 0.4785 0.4785 0.4912 0.4912 1.5627 1.5627 2.3509 2.3509 2.6729 2.6729 2.6767 2.6767 2.9089 2.9089 7.7077 7.7077 8.0346 8.0346 9.2208 9.2208 9.8279 9.8279 k = 0.5000 0.5000 0.1146 ( 9024 PWs) bands (ev): -14.9930 -14.9930 -9.0394 -9.0394 -4.0333 -4.0333 -2.8651 -2.8651 -2.6741 -2.6741 -2.5188 -2.5188 0.0201 0.0201 0.4724 0.4724 0.4976 0.4976 1.5429 1.5429 2.3524 2.3524 2.6893 2.6893 2.7310 2.7310 2.9253 2.9253 7.5895 7.5895 7.9138 7.9138 9.2702 9.2702 9.9674 9.9674 k = 0.5000 0.5000 0.1289 ( 9024 PWs) bands (ev): -14.9928 -14.9928 -9.0323 -9.0323 -4.0345 -4.0345 -2.8718 -2.8718 -2.7433 -2.7433 -2.5244 -2.5244 0.0933 0.0933 0.4656 0.4656 0.5110 0.5110 1.5233 1.5233 2.3541 2.3541 2.7038 2.7038 2.7892 2.7892 2.9470 2.9470 7.4713 7.4713 7.7938 7.7938 9.3260 9.3260 10.1091 10.1091 k = 0.5000 0.5000 0.1433 ( 9016 PWs) bands (ev): -14.9926 -14.9926 -9.0245 -9.0245 -4.0358 -4.0358 -2.8880 -2.8880 -2.8045 -2.8045 -2.5304 -2.5304 0.1582 0.1582 0.4582 0.4582 0.5360 0.5360 1.5042 1.5042 2.3558 2.3558 2.7155 2.7155 2.8509 2.8509 2.9748 2.9748 7.3539 7.3539 7.6751 7.6751 9.3881 9.3881 10.2521 10.2521 k = 0.5000 0.5000 0.1576 ( 9016 PWs) bands (ev): -14.9923 -14.9923 -9.0162 -9.0162 -4.0372 -4.0372 -2.9312 -2.9312 -2.8396 -2.8396 -2.5368 -2.5368 0.2092 0.2092 0.4503 0.4503 0.5773 0.5773 1.4858 1.4858 2.3578 2.3578 2.7239 2.7239 2.9154 2.9154 3.0086 3.0086 7.2376 7.2376 7.5578 7.5578 9.4564 9.4564 10.3958 10.3958 k = 0.5000 0.5000 0.1719 ( 9024 PWs) bands (ev): -14.9920 -14.9920 -9.0074 -9.0074 -4.0386 -4.0386 -2.9965 -2.9965 -2.8523 -2.8523 -2.5435 -2.5435 0.2436 0.2436 0.4419 0.4419 0.6367 0.6367 1.4684 1.4684 2.3598 2.3598 2.7292 2.7292 2.9823 2.9823 3.0481 3.0481 7.1228 7.1228 7.4421 7.4421 9.5310 9.5310 10.5393 10.5393 k = 0.5000 0.5000 0.1862 ( 9012 PWs) bands (ev): -14.9917 -14.9917 -8.9981 -8.9981 -4.0402 -4.0402 -3.0676 -3.0676 -2.8584 -2.8584 -2.5504 -2.5504 0.2635 0.2635 0.4332 0.4332 0.7114 0.7114 1.4521 1.4521 2.3619 2.3619 2.7316 2.7316 3.0514 3.0514 3.0926 3.0926 7.0097 7.0097 7.3282 7.3282 9.6116 9.6116 10.6818 10.6818 k = 0.5000 0.5000 0.2006 ( 9004 PWs) bands (ev): -14.9914 -14.9914 -8.9886 -8.9886 -4.0417 -4.0417 -3.1393 -3.1393 -2.8626 -2.8626 -2.5574 -2.5574 0.2732 0.2732 0.4243 0.4243 0.7966 0.7966 1.4370 1.4370 2.3640 2.3640 2.7316 2.7316 3.1221 3.1221 3.1412 3.1412 6.8985 6.8985 7.2163 7.2163 9.6983 9.6983 10.8220 10.8220 k = 0.5000 0.5000 0.2149 ( 9000 PWs) bands (ev): -14.9911 -14.9911 -8.9788 -8.9788 -4.0433 -4.0433 -3.2099 -3.2099 -2.8659 -2.8659 -2.5645 -2.5645 0.2765 0.2765 0.4152 0.4152 0.8879 0.8879 1.4231 1.4231 2.3662 2.3662 2.7295 2.7295 3.1934 3.1934 3.1941 3.1941 6.7896 6.7896 7.1064 7.1064 9.7908 9.7908 10.9572 10.9572 k = 0.5000 0.5000 0.2292 ( 9020 PWs) bands (ev): -14.9908 -14.9908 -8.9688 -8.9688 -4.0449 -4.0449 -3.2784 -3.2784 -2.8689 -2.8689 -2.5716 -2.5716 0.2758 0.2758 0.4060 0.4060 0.9823 0.9823 1.4104 1.4104 2.3684 2.3684 2.7255 2.7255 3.2483 3.2483 3.2670 3.2670 6.6830 6.6830 6.9989 6.9989 9.8892 9.8892 11.0772 11.0772 k = 0.5000 0.5000 0.2436 ( 9020 PWs) bands (ev): -14.9905 -14.9905 -8.9589 -8.9589 -4.0465 -4.0465 -3.3444 -3.3444 -2.8716 -2.8716 -2.5787 -2.5787 0.2729 0.2729 0.3969 0.3969 1.0776 1.0776 1.3988 1.3988 2.3706 2.3706 2.7197 2.7197 3.3054 3.3054 3.3405 3.3405 6.5791 6.5791 6.8939 6.8939 9.9932 9.9932 11.1428 11.1428 k = 0.5000 0.5000 0.2579 ( 8996 PWs) bands (ev): -14.9902 -14.9902 -8.9490 -8.9490 -4.0481 -4.0481 -3.4073 -3.4073 -2.8741 -2.8741 -2.5856 -2.5856 0.2686 0.2686 0.3879 0.3879 1.1725 1.1725 1.3884 1.3884 2.3727 2.3727 2.7124 2.7124 3.3641 3.3641 3.4142 3.4142 6.4781 6.4781 6.7916 6.7916 10.1028 10.1028 11.1596 11.1596 k = 0.5000 0.5000 0.2722 ( 8996 PWs) bands (ev): -14.9899 -14.9899 -8.9392 -8.9392 -4.0497 -4.0497 -3.4668 -3.4668 -2.8765 -2.8765 -2.5923 -2.5923 0.2635 0.2635 0.3792 0.3792 1.2658 1.2658 1.3790 1.3790 2.3748 2.3748 2.7036 2.7036 3.4238 3.4238 3.4875 3.4875 6.3803 6.3803 6.6924 6.6924 10.2177 10.2177 11.1668 11.1668 k = 0.5000 0.5000 0.2865 ( 8996 PWs) bands (ev): -14.9897 -14.9897 -8.9298 -8.9298 -4.0512 -4.0512 -3.5227 -3.5227 -2.8788 -2.8788 -2.5987 -2.5987 0.2581 0.2581 0.3708 0.3708 1.3567 1.3567 1.3707 1.3707 2.3767 2.3767 2.6934 2.6934 3.4839 3.4839 3.5600 3.5600 6.2861 6.2861 6.5965 6.5965 10.3379 10.3379 11.1730 11.1730 k = 0.5000 0.5000 0.3009 ( 9012 PWs) bands (ev): -14.9894 -14.9894 -8.9207 -8.9207 -4.0526 -4.0526 -3.5745 -3.5745 -2.8809 -2.8809 -2.6047 -2.6047 0.2527 0.2527 0.3629 0.3629 1.3634 1.3634 1.4443 1.4443 2.3786 2.3786 2.6818 2.6818 3.5436 3.5436 3.6312 3.6312 6.1959 6.1959 6.5046 6.5046 10.4631 10.4631 11.1801 11.1801 k = 0.5000 0.5000 0.3152 ( 9012 PWs) bands (ev): -14.9892 -14.9892 -8.9121 -8.9121 -4.0540 -4.0540 -3.6222 -3.6222 -2.8829 -2.8829 -2.6104 -2.6104 0.2474 0.2474 0.3555 0.3555 1.3570 1.3570 1.5280 1.5280 2.3804 2.3804 2.6688 2.6688 3.6024 3.6024 3.7003 3.7003 6.1102 6.1102 6.4170 6.4170 10.5930 10.5930 11.1888 11.1888 k = 0.5000 0.5000 0.3295 ( 9012 PWs) bands (ev): -14.9889 -14.9889 -8.9041 -8.9041 -4.0552 -4.0552 -3.6654 -3.6654 -2.8847 -2.8847 -2.6156 -2.6156 0.2424 0.2424 0.3486 0.3486 1.3514 1.3514 1.6071 1.6071 2.3820 2.3820 2.6548 2.6548 3.6594 3.6594 3.7666 3.7666 6.0297 6.0297 6.3345 6.3345 10.7274 10.7274 11.1995 11.1995 k = 0.5000 0.5000 0.3438 ( 8980 PWs) bands (ev): -14.9887 -14.9887 -8.8968 -8.8968 -4.0563 -4.0563 -3.7040 -3.7040 -2.8863 -2.8863 -2.6203 -2.6203 0.2378 0.2378 0.3424 0.3424 1.3467 1.3467 1.6808 1.6808 2.3835 2.3835 2.6397 2.6397 3.7136 3.7136 3.8293 3.8293 5.9549 5.9549 6.2578 6.2578 10.8658 10.8658 11.2125 11.2125 k = 0.5000 0.5000 0.3582 ( 8948 PWs) bands (ev): -14.9885 -14.9885 -8.8903 -8.8903 -4.0574 -4.0574 -3.7378 -3.7378 -2.8877 -2.8877 -2.6245 -2.6245 0.2337 0.2337 0.3369 0.3369 1.3426 1.3426 1.7484 1.7484 2.3848 2.3848 2.6241 2.6241 3.7643 3.7643 3.8873 3.8873 5.8869 5.8869 6.1878 6.1878 11.0079 11.0079 11.2279 11.2279 k = 0.5000 0.5000 0.3725 ( 8932 PWs) bands (ev): -14.9884 -14.9884 -8.8846 -8.8846 -4.0582 -4.0582 -3.7667 -3.7667 -2.8889 -2.8889 -2.6281 -2.6281 0.2301 0.2301 0.3322 0.3322 1.3393 1.3393 1.8089 1.8089 2.3859 2.3859 2.6082 2.6082 3.8101 3.8101 3.9395 3.9395 5.8266 5.8266 6.1256 6.1256 11.1527 11.1527 11.2457 11.2457 k = 0.5000 0.5000 0.3868 ( 8920 PWs) bands (ev): -14.9882 -14.9882 -8.8798 -8.8798 -4.0590 -4.0590 -3.7905 -3.7905 -2.8900 -2.8900 -2.6311 -2.6311 0.2272 0.2272 0.3282 0.3282 1.3366 1.3366 1.8612 1.8612 2.3868 2.3868 2.5930 2.5930 3.8500 3.8500 3.9847 3.9847 5.7750 5.7750 6.0723 6.0723 11.2655 11.2655 11.2988 11.2988 k = 0.5000 0.5000 0.4011 ( 8920 PWs) bands (ev): -14.9881 -14.9881 -8.8761 -8.8761 -4.0595 -4.0595 -3.8091 -3.8091 -2.8908 -2.8908 -2.6334 -2.6334 0.2248 0.2248 0.3251 0.3251 1.3346 1.3346 1.9042 1.9042 2.3875 2.3875 2.5792 2.5792 3.8827 3.8827 4.0216 4.0216 5.7333 5.7333 6.0291 6.0291 11.2865 11.2865 11.4438 11.4438 k = 0.5000 0.5000 0.4155 ( 8920 PWs) bands (ev): -14.9881 -14.9881 -8.8733 -8.8733 -4.0600 -4.0600 -3.8225 -3.8225 -2.8913 -2.8913 -2.6351 -2.6351 0.2231 0.2231 0.3229 0.3229 1.3332 1.3332 1.9363 1.9363 2.3881 2.3881 2.5680 2.5680 3.9070 3.9070 4.0491 4.0491 5.7025 5.7025 5.9973 5.9973 11.3068 11.3068 11.5816 11.5816 k = 0.5000 0.5000 0.4298 ( 8928 PWs) bands (ev): -14.9880 -14.9880 -8.8717 -8.8717 -4.0602 -4.0602 -3.8305 -3.8305 -2.8917 -2.8917 -2.6362 -2.6362 0.2221 0.2221 0.3216 0.3216 1.3323 1.3323 1.9564 1.9564 2.3884 2.3884 2.5607 2.5607 3.9221 3.9221 4.0660 4.0660 5.6836 5.6836 5.9777 5.9777 11.3228 11.3228 11.5726 11.5726 k = 0.5000 0.5000 0.4441 ( 8928 PWs) bands (ev): -14.9880 -14.9880 -8.8711 -8.8711 -4.0603 -4.0603 -3.8332 -3.8332 -2.8918 -2.8918 -2.6365 -2.6365 0.2218 0.2218 0.3211 0.3211 1.3320 1.3320 1.9632 1.9632 2.3885 2.3885 2.5581 2.5581 3.9272 3.9272 4.0717 4.0717 5.6773 5.6773 5.9711 5.9711 11.3291 11.3291 11.5614 11.5614 Writing output data file CsAuC2.save init_run : 0.71s CPU 1.06s WALL ( 1 calls) electrons : 225.90s CPU 230.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 225.89s CPU 230.25s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.13s WALL ( 340 calls) cegterg : 207.66s CPU 209.87s WALL ( 762 calls) Called by sum_band: Called by *egterg: h_psi : 134.58s CPU 136.20s WALL ( 12547 calls) s_psi : 4.93s CPU 4.83s WALL ( 12547 calls) g_psi : 0.53s CPU 0.53s WALL ( 11445 calls) cdiaghg : 49.74s CPU 50.61s WALL ( 11785 calls) cegterg:over : 9.04s CPU 8.97s WALL ( 11445 calls) cegterg:upda : 10.20s CPU 10.41s WALL ( 11445 calls) cegterg:last : 4.61s CPU 4.62s WALL ( 1782 calls) cdiaghg:chol : 2.89s CPU 2.99s WALL ( 11785 calls) cdiaghg:inve : 1.38s CPU 1.36s WALL ( 11785 calls) cdiaghg:para : 2.94s CPU 2.95s WALL ( 23570 calls) Called by h_psi: h_psi:vloc : 117.76s CPU 119.36s WALL ( 12547 calls) h_psi:vnl : 16.40s CPU 16.40s WALL ( 12547 calls) add_vuspsi : 8.94s CPU 9.08s WALL ( 12547 calls) General routines calbec : 7.42s CPU 7.29s WALL ( 12547 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 111.18s CPU 112.89s WALL ( 795636 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.40s WALL ( 680 calls) Parallel routines fft_scatter : 39.28s CPU 39.90s WALL ( 795659 calls) PWSCF : 4m 5.54s CPU 4m43.71s WALL This run was terminated on: 16:11:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=