Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 6:27 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: ./NaAuC2.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 46 29 8 2000 996 158 Max 47 30 9 2003 1014 165 Sum 1685 1057 305 72061 36203 5771 bravais-lattice index = 14 lattice parameter (alat) = 7.0487 a.u. unit-cell volume = 488.2222 (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 = 67.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.048678 celldm(2)= 1.000000 celldm(3)= 1.394102 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 1.394102 ) 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 0.717308 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) C 4.00 12.01070 C( 1.00) Au 11.00 196.96660 Au( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 394 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0025381 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0025381 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0025381 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0025381 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0025381 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0025381 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0025381 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0025381 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0025381 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0025381 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0025381 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0025381 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0025381 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0025381 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0025381 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0025381 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0025381 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0025381 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0025381 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0025381 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0025381 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0025381 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0025381 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0025381 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0025381 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0025381 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0025381 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0025381 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0025381 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0025381 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0025381 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0025381 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0025381 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0025381 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0025381 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0025381 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0025381 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0025381 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0025381 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0025381 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0025381 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0025381 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0025381 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0025381 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0025381 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0025381 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0025381 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0025381 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0025381 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0025381 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0025381 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0025381 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0025381 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0025381 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0025381 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0025381 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0025381 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0025381 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0025381 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0025381 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0025381 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0025381 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0025381 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0025381 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0025381 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0025381 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0025381 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0025381 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0025381 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0025381 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0025381 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0025381 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0025381 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0025381 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0025381 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0025381 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0025381 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0025381 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0025381 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0025381 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0025381 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0025381 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0025381 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0025381 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0025381 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0025381 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0025381 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0025381 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025381 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0025381 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0025381 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0025381 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0025381 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025381 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0025381 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0025381 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0025381 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025381 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0025381 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0025381 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0025381 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0025381 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0025381 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025381 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0025381 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0025381 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0025381 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0025381 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0025381 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0025381 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0025381 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0025381 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0025381 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025381 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0025381 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0025381 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0025381 k( 133) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0025381 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0025381 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0025381 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0025381 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0025381 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0025381 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025381 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0025381 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0025381 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0025381 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0025381 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0025381 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0025381 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0025381 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0025381 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0025381 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 151) = ( 0.0000000 0.0000000 0.0115695), wk = 0.0025381 k( 152) = ( 0.0000000 0.0000000 0.0231390), wk = 0.0025381 k( 153) = ( 0.0000000 0.0000000 0.0347084), wk = 0.0025381 k( 154) = ( 0.0000000 0.0000000 0.0462779), wk = 0.0025381 k( 155) = ( 0.0000000 0.0000000 0.0578474), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.0694169), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.0809864), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.0925558), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.1041253), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.1156948), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.1272643), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.1388337), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.1504032), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.1619727), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.1735422), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.1851117), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.1966811), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.2082506), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.2198201), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.2313896), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.2429591), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.2545285), wk = 0.0025381 k( 173) = ( 0.0000000 0.0000000 0.2660980), wk = 0.0025381 k( 174) = ( 0.0000000 0.0000000 0.2776675), wk = 0.0025381 k( 175) = ( 0.0000000 0.0000000 0.2892370), wk = 0.0025381 k( 176) = ( 0.0000000 0.0000000 0.3008065), wk = 0.0025381 k( 177) = ( 0.0000000 0.0000000 0.3123759), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.3239454), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.3355149), wk = 0.0025381 k( 180) = ( 0.0000000 0.0000000 0.3470844), wk = 0.0025381 k( 181) = ( 0.0000000 0.0000000 0.3586538), wk = 0.0025381 k( 182) = ( 0.0000000 0.0000000 0.3586538), wk = 0.0025381 k( 183) = ( 0.0000000 0.0116279 0.3586538), wk = 0.0025381 k( 184) = ( 0.0000000 0.0232558 0.3586538), wk = 0.0025381 k( 185) = ( 0.0000000 0.0348837 0.3586538), wk = 0.0025381 k( 186) = ( 0.0000000 0.0465116 0.3586538), wk = 0.0025381 k( 187) = ( 0.0000000 0.0581395 0.3586538), wk = 0.0025381 k( 188) = ( 0.0000000 0.0697674 0.3586538), wk = 0.0025381 k( 189) = ( 0.0000000 0.0813954 0.3586538), wk = 0.0025381 k( 190) = ( 0.0000000 0.0930233 0.3586538), wk = 0.0025381 k( 191) = ( 0.0000000 0.1046512 0.3586538), wk = 0.0025381 k( 192) = ( 0.0000000 0.1162791 0.3586538), wk = 0.0025381 k( 193) = ( 0.0000000 0.1279070 0.3586538), wk = 0.0025381 k( 194) = ( 0.0000000 0.1395349 0.3586538), wk = 0.0025381 k( 195) = ( 0.0000000 0.1511628 0.3586538), wk = 0.0025381 k( 196) = ( 0.0000000 0.1627907 0.3586538), wk = 0.0025381 k( 197) = ( 0.0000000 0.1744186 0.3586538), wk = 0.0025381 k( 198) = ( 0.0000000 0.1860465 0.3586538), wk = 0.0025381 k( 199) = ( 0.0000000 0.1976744 0.3586538), wk = 0.0025381 k( 200) = ( 0.0000000 0.2093023 0.3586538), wk = 0.0025381 k( 201) = ( 0.0000000 0.2209302 0.3586538), wk = 0.0025381 k( 202) = ( 0.0000000 0.2325581 0.3586538), wk = 0.0025381 k( 203) = ( 0.0000000 0.2441860 0.3586538), wk = 0.0025381 k( 204) = ( 0.0000000 0.2558140 0.3586538), wk = 0.0025381 k( 205) = ( 0.0000000 0.2674419 0.3586538), wk = 0.0025381 k( 206) = ( 0.0000000 0.2790698 0.3586538), wk = 0.0025381 k( 207) = ( 0.0000000 0.2906977 0.3586538), wk = 0.0025381 k( 208) = ( 0.0000000 0.3023256 0.3586538), wk = 0.0025381 k( 209) = ( 0.0000000 0.3139535 0.3586538), wk = 0.0025381 k( 210) = ( 0.0000000 0.3255814 0.3586538), wk = 0.0025381 k( 211) = ( 0.0000000 0.3372093 0.3586538), wk = 0.0025381 k( 212) = ( 0.0000000 0.3488372 0.3586538), wk = 0.0025381 k( 213) = ( 0.0000000 0.3604651 0.3586538), wk = 0.0025381 k( 214) = ( 0.0000000 0.3720930 0.3586538), wk = 0.0025381 k( 215) = ( 0.0000000 0.3837209 0.3586538), wk = 0.0025381 k( 216) = ( 0.0000000 0.3953488 0.3586538), wk = 0.0025381 k( 217) = ( 0.0000000 0.4069767 0.3586538), wk = 0.0025381 k( 218) = ( 0.0000000 0.4186047 0.3586538), wk = 0.0025381 k( 219) = ( 0.0000000 0.4302326 0.3586538), wk = 0.0025381 k( 220) = ( 0.0000000 0.4418605 0.3586538), wk = 0.0025381 k( 221) = ( 0.0000000 0.4534884 0.3586538), wk = 0.0025381 k( 222) = ( 0.0000000 0.4651163 0.3586538), wk = 0.0025381 k( 223) = ( 0.0000000 0.4767442 0.3586538), wk = 0.0025381 k( 224) = ( 0.0000000 0.4883721 0.3586538), wk = 0.0025381 k( 225) = ( 0.0000000 0.5000000 0.3586538), wk = 0.0025381 k( 226) = ( 0.0000000 0.5000000 0.3586538), wk = 0.0025381 k( 227) = ( 0.0116279 0.5000000 0.3586538), wk = 0.0025381 k( 228) = ( 0.0232558 0.5000000 0.3586538), wk = 0.0025381 k( 229) = ( 0.0348837 0.5000000 0.3586538), wk = 0.0025381 k( 230) = ( 0.0465116 0.5000000 0.3586538), wk = 0.0025381 k( 231) = ( 0.0581395 0.5000000 0.3586538), wk = 0.0025381 k( 232) = ( 0.0697674 0.5000000 0.3586538), wk = 0.0025381 k( 233) = ( 0.0813954 0.5000000 0.3586538), wk = 0.0025381 k( 234) = ( 0.0930233 0.5000000 0.3586538), wk = 0.0025381 k( 235) = ( 0.1046512 0.5000000 0.3586538), wk = 0.0025381 k( 236) = ( 0.1162791 0.5000000 0.3586538), wk = 0.0025381 k( 237) = ( 0.1279070 0.5000000 0.3586538), wk = 0.0025381 k( 238) = ( 0.1395349 0.5000000 0.3586538), wk = 0.0025381 k( 239) = ( 0.1511628 0.5000000 0.3586538), wk = 0.0025381 k( 240) = ( 0.1627907 0.5000000 0.3586538), wk = 0.0025381 k( 241) = ( 0.1744186 0.5000000 0.3586538), wk = 0.0025381 k( 242) = ( 0.1860465 0.5000000 0.3586538), wk = 0.0025381 k( 243) = ( 0.1976744 0.5000000 0.3586538), wk = 0.0025381 k( 244) = ( 0.2093023 0.5000000 0.3586538), wk = 0.0025381 k( 245) = ( 0.2209302 0.5000000 0.3586538), wk = 0.0025381 k( 246) = ( 0.2325581 0.5000000 0.3586538), wk = 0.0025381 k( 247) = ( 0.2441860 0.5000000 0.3586538), wk = 0.0025381 k( 248) = ( 0.2558140 0.5000000 0.3586538), wk = 0.0025381 k( 249) = ( 0.2674419 0.5000000 0.3586538), wk = 0.0025381 k( 250) = ( 0.2790698 0.5000000 0.3586538), wk = 0.0025381 k( 251) = ( 0.2906977 0.5000000 0.3586538), wk = 0.0025381 k( 252) = ( 0.3023256 0.5000000 0.3586538), wk = 0.0025381 k( 253) = ( 0.3139535 0.5000000 0.3586538), wk = 0.0025381 k( 254) = ( 0.3255814 0.5000000 0.3586538), wk = 0.0025381 k( 255) = ( 0.3372093 0.5000000 0.3586538), wk = 0.0025381 k( 256) = ( 0.3488372 0.5000000 0.3586538), wk = 0.0025381 k( 257) = ( 0.3604651 0.5000000 0.3586538), wk = 0.0025381 k( 258) = ( 0.3720930 0.5000000 0.3586538), wk = 0.0025381 k( 259) = ( 0.3837209 0.5000000 0.3586538), wk = 0.0025381 k( 260) = ( 0.3953488 0.5000000 0.3586538), wk = 0.0025381 k( 261) = ( 0.4069767 0.5000000 0.3586538), wk = 0.0025381 k( 262) = ( 0.4186047 0.5000000 0.3586538), wk = 0.0025381 k( 263) = ( 0.4302326 0.5000000 0.3586538), wk = 0.0025381 k( 264) = ( 0.4418605 0.5000000 0.3586538), wk = 0.0025381 k( 265) = ( 0.4534884 0.5000000 0.3586538), wk = 0.0025381 k( 266) = ( 0.4651163 0.5000000 0.3586538), wk = 0.0025381 k( 267) = ( 0.4767442 0.5000000 0.3586538), wk = 0.0025381 k( 268) = ( 0.4883721 0.5000000 0.3586538), wk = 0.0025381 k( 269) = ( 0.5000000 0.5000000 0.3586538), wk = 0.0025381 k( 270) = ( 0.5000000 0.5000000 0.3586538), wk = 0.0025381 k( 271) = ( 0.4916667 0.4916667 0.3586538), wk = 0.0025381 k( 272) = ( 0.4833333 0.4833333 0.3586538), wk = 0.0025381 k( 273) = ( 0.4750000 0.4750000 0.3586538), wk = 0.0025381 k( 274) = ( 0.4666667 0.4666667 0.3586538), wk = 0.0025381 k( 275) = ( 0.4583333 0.4583333 0.3586538), wk = 0.0025381 k( 276) = ( 0.4500000 0.4500000 0.3586538), wk = 0.0025381 k( 277) = ( 0.4416667 0.4416667 0.3586538), wk = 0.0025381 k( 278) = ( 0.4333333 0.4333333 0.3586538), wk = 0.0025381 k( 279) = ( 0.4250000 0.4250000 0.3586538), wk = 0.0025381 k( 280) = ( 0.4166667 0.4166667 0.3586538), wk = 0.0025381 k( 281) = ( 0.4083333 0.4083333 0.3586538), wk = 0.0025381 k( 282) = ( 0.4000000 0.4000000 0.3586538), wk = 0.0025381 k( 283) = ( 0.3916667 0.3916667 0.3586538), wk = 0.0025381 k( 284) = ( 0.3833333 0.3833333 0.3586538), wk = 0.0025381 k( 285) = ( 0.3750000 0.3750000 0.3586538), wk = 0.0025381 k( 286) = ( 0.3666667 0.3666667 0.3586538), wk = 0.0025381 k( 287) = ( 0.3583333 0.3583333 0.3586538), wk = 0.0025381 k( 288) = ( 0.3500000 0.3500000 0.3586538), wk = 0.0025381 k( 289) = ( 0.3416667 0.3416667 0.3586538), wk = 0.0025381 k( 290) = ( 0.3333333 0.3333333 0.3586538), wk = 0.0025381 k( 291) = ( 0.3250000 0.3250000 0.3586538), wk = 0.0025381 k( 292) = ( 0.3166667 0.3166667 0.3586538), wk = 0.0025381 k( 293) = ( 0.3083333 0.3083333 0.3586538), wk = 0.0025381 k( 294) = ( 0.3000000 0.3000000 0.3586538), wk = 0.0025381 k( 295) = ( 0.2916667 0.2916667 0.3586538), wk = 0.0025381 k( 296) = ( 0.2833333 0.2833333 0.3586538), wk = 0.0025381 k( 297) = ( 0.2750000 0.2750000 0.3586538), wk = 0.0025381 k( 298) = ( 0.2666667 0.2666667 0.3586538), wk = 0.0025381 k( 299) = ( 0.2583333 0.2583333 0.3586538), wk = 0.0025381 k( 300) = ( 0.2500000 0.2500000 0.3586538), wk = 0.0025381 k( 301) = ( 0.2416667 0.2416667 0.3586538), wk = 0.0025381 k( 302) = ( 0.2333333 0.2333333 0.3586538), wk = 0.0025381 k( 303) = ( 0.2250000 0.2250000 0.3586538), wk = 0.0025381 k( 304) = ( 0.2166667 0.2166667 0.3586538), wk = 0.0025381 k( 305) = ( 0.2083333 0.2083333 0.3586538), wk = 0.0025381 k( 306) = ( 0.2000000 0.2000000 0.3586538), wk = 0.0025381 k( 307) = ( 0.1916667 0.1916667 0.3586538), wk = 0.0025381 k( 308) = ( 0.1833333 0.1833333 0.3586538), wk = 0.0025381 k( 309) = ( 0.1750000 0.1750000 0.3586538), wk = 0.0025381 k( 310) = ( 0.1666667 0.1666667 0.3586538), wk = 0.0025381 k( 311) = ( 0.1583333 0.1583333 0.3586538), wk = 0.0025381 k( 312) = ( 0.1500000 0.1500000 0.3586538), wk = 0.0025381 k( 313) = ( 0.1416667 0.1416667 0.3586538), wk = 0.0025381 k( 314) = ( 0.1333333 0.1333333 0.3586538), wk = 0.0025381 k( 315) = ( 0.1250000 0.1250000 0.3586538), wk = 0.0025381 k( 316) = ( 0.1166667 0.1166667 0.3586538), wk = 0.0025381 k( 317) = ( 0.1083333 0.1083333 0.3586538), wk = 0.0025381 k( 318) = ( 0.1000000 0.1000000 0.3586538), wk = 0.0025381 k( 319) = ( 0.0916667 0.0916667 0.3586538), wk = 0.0025381 k( 320) = ( 0.0833333 0.0833333 0.3586538), wk = 0.0025381 k( 321) = ( 0.0750000 0.0750000 0.3586538), wk = 0.0025381 k( 322) = ( 0.0666667 0.0666667 0.3586538), wk = 0.0025381 k( 323) = ( 0.0583333 0.0583333 0.3586538), wk = 0.0025381 k( 324) = ( 0.0500000 0.0500000 0.3586538), wk = 0.0025381 k( 325) = ( 0.0416667 0.0416667 0.3586538), wk = 0.0025381 k( 326) = ( 0.0333333 0.0333333 0.3586538), wk = 0.0025381 k( 327) = ( 0.0250000 0.0250000 0.3586538), wk = 0.0025381 k( 328) = ( 0.0166667 0.0166667 0.3586538), wk = 0.0025381 k( 329) = ( 0.0083333 0.0083333 0.3586538), wk = 0.0025381 k( 330) = ( 0.0000000 0.0000000 0.3586538), wk = 0.0025381 k( 331) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 332) = ( 0.0000000 0.5000000 0.0115695), wk = 0.0025381 k( 333) = ( 0.0000000 0.5000000 0.0231390), wk = 0.0025381 k( 334) = ( 0.0000000 0.5000000 0.0347084), wk = 0.0025381 k( 335) = ( 0.0000000 0.5000000 0.0462779), wk = 0.0025381 k( 336) = ( 0.0000000 0.5000000 0.0578474), wk = 0.0025381 k( 337) = ( 0.0000000 0.5000000 0.0694169), wk = 0.0025381 k( 338) = ( 0.0000000 0.5000000 0.0809864), wk = 0.0025381 k( 339) = ( 0.0000000 0.5000000 0.0925558), wk = 0.0025381 k( 340) = ( 0.0000000 0.5000000 0.1041253), wk = 0.0025381 k( 341) = ( 0.0000000 0.5000000 0.1156948), wk = 0.0025381 k( 342) = ( 0.0000000 0.5000000 0.1272643), wk = 0.0025381 k( 343) = ( 0.0000000 0.5000000 0.1388337), wk = 0.0025381 k( 344) = ( 0.0000000 0.5000000 0.1504032), wk = 0.0025381 k( 345) = ( 0.0000000 0.5000000 0.1619727), wk = 0.0025381 k( 346) = ( 0.0000000 0.5000000 0.1735422), wk = 0.0025381 k( 347) = ( 0.0000000 0.5000000 0.1851117), wk = 0.0025381 k( 348) = ( 0.0000000 0.5000000 0.1966811), wk = 0.0025381 k( 349) = ( 0.0000000 0.5000000 0.2082506), wk = 0.0025381 k( 350) = ( 0.0000000 0.5000000 0.2198201), wk = 0.0025381 k( 351) = ( 0.0000000 0.5000000 0.2313896), wk = 0.0025381 k( 352) = ( 0.0000000 0.5000000 0.2429591), wk = 0.0025381 k( 353) = ( 0.0000000 0.5000000 0.2545285), wk = 0.0025381 k( 354) = ( 0.0000000 0.5000000 0.2660980), wk = 0.0025381 k( 355) = ( 0.0000000 0.5000000 0.2776675), wk = 0.0025381 k( 356) = ( 0.0000000 0.5000000 0.2892370), wk = 0.0025381 k( 357) = ( 0.0000000 0.5000000 0.3008065), wk = 0.0025381 k( 358) = ( 0.0000000 0.5000000 0.3123759), wk = 0.0025381 k( 359) = ( 0.0000000 0.5000000 0.3239454), wk = 0.0025381 k( 360) = ( 0.0000000 0.5000000 0.3355149), wk = 0.0025381 k( 361) = ( 0.0000000 0.5000000 0.3470844), wk = 0.0025381 k( 362) = ( 0.0000000 0.5000000 0.3586538), wk = 0.0025381 k( 363) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025381 k( 364) = ( 0.5000000 0.5000000 0.0115695), wk = 0.0025381 k( 365) = ( 0.5000000 0.5000000 0.0231390), wk = 0.0025381 k( 366) = ( 0.5000000 0.5000000 0.0347084), wk = 0.0025381 k( 367) = ( 0.5000000 0.5000000 0.0462779), wk = 0.0025381 k( 368) = ( 0.5000000 0.5000000 0.0578474), wk = 0.0025381 k( 369) = ( 0.5000000 0.5000000 0.0694169), wk = 0.0025381 k( 370) = ( 0.5000000 0.5000000 0.0809864), wk = 0.0025381 k( 371) = ( 0.5000000 0.5000000 0.0925558), wk = 0.0025381 k( 372) = ( 0.5000000 0.5000000 0.1041253), wk = 0.0025381 k( 373) = ( 0.5000000 0.5000000 0.1156948), wk = 0.0025381 k( 374) = ( 0.5000000 0.5000000 0.1272643), wk = 0.0025381 k( 375) = ( 0.5000000 0.5000000 0.1388337), wk = 0.0025381 k( 376) = ( 0.5000000 0.5000000 0.1504032), wk = 0.0025381 k( 377) = ( 0.5000000 0.5000000 0.1619727), wk = 0.0025381 k( 378) = ( 0.5000000 0.5000000 0.1735422), wk = 0.0025381 k( 379) = ( 0.5000000 0.5000000 0.1851117), wk = 0.0025381 k( 380) = ( 0.5000000 0.5000000 0.1966811), wk = 0.0025381 k( 381) = ( 0.5000000 0.5000000 0.2082506), wk = 0.0025381 k( 382) = ( 0.5000000 0.5000000 0.2198201), wk = 0.0025381 k( 383) = ( 0.5000000 0.5000000 0.2313896), wk = 0.0025381 k( 384) = ( 0.5000000 0.5000000 0.2429591), wk = 0.0025381 k( 385) = ( 0.5000000 0.5000000 0.2545285), wk = 0.0025381 k( 386) = ( 0.5000000 0.5000000 0.2660980), wk = 0.0025381 k( 387) = ( 0.5000000 0.5000000 0.2776675), wk = 0.0025381 k( 388) = ( 0.5000000 0.5000000 0.2892370), wk = 0.0025381 k( 389) = ( 0.5000000 0.5000000 0.3008065), wk = 0.0025381 k( 390) = ( 0.5000000 0.5000000 0.3123759), wk = 0.0025381 k( 391) = ( 0.5000000 0.5000000 0.3239454), wk = 0.0025381 k( 392) = ( 0.5000000 0.5000000 0.3355149), wk = 0.0025381 k( 393) = ( 0.5000000 0.5000000 0.3470844), wk = 0.0025381 k( 394) = ( 0.5000000 0.5000000 0.3586538), wk = 0.0025381 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0025381 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0025381 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0025381 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0025381 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0025381 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0025381 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0025381 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0025381 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0025381 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0025381 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0025381 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0025381 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0025381 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0025381 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0025381 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0025381 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0025381 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0025381 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0025381 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0025381 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0025381 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0025381 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0025381 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0025381 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0025381 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0025381 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0025381 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0025381 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0025381 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0025381 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0025381 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0025381 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0025381 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0025381 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0025381 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0025381 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0025381 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0025381 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0025381 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0025381 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0025381 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0025381 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0025381 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0025381 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0025381 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0025381 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0025381 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0025381 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0025381 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0025381 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0025381 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0025381 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0025381 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0025381 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0025381 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0025381 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0025381 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0025381 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0025381 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0025381 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0025381 k( 73) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0025381 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0025381 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0025381 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0025381 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0025381 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0025381 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0025381 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0025381 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0025381 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0025381 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0025381 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0025381 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0025381 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0025381 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0025381 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0025381 k( 91) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0025381 k( 92) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0025381 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0025381 k( 94) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0025381 k( 95) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0025381 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0025381 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0025381 k( 98) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0025381 k( 99) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0025381 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0025381 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0025381 k( 102) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0025381 k( 103) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0025381 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0025381 k( 105) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0025381 k( 106) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0025381 k( 107) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0025381 k( 108) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0025381 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025381 k( 110) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0025381 k( 111) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0025381 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0025381 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0025381 k( 114) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0025381 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0025381 k( 116) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0025381 k( 117) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0025381 k( 118) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0025381 k( 119) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0025381 k( 120) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0025381 k( 121) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0025381 k( 122) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0025381 k( 123) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0025381 k( 124) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0025381 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0025381 k( 126) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0025381 k( 127) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0025381 k( 128) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0025381 k( 129) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025381 k( 130) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0025381 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0025381 k( 132) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0025381 k( 133) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0025381 k( 134) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0025381 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0025381 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0025381 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0025381 k( 138) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0025381 k( 139) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0025381 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0025381 k( 141) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0025381 k( 142) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0025381 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0025381 k( 144) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0025381 k( 145) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0025381 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0025381 k( 147) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0025381 k( 148) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0025381 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 151) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0025381 k( 152) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0025381 k( 153) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0025381 k( 154) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0025381 k( 155) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0025381 k( 156) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0025381 k( 173) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0025381 k( 174) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0025381 k( 175) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0025381 k( 176) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0025381 k( 177) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0025381 k( 180) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0025381 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 183) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0025381 k( 184) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0025381 k( 185) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0025381 k( 186) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0025381 k( 187) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0025381 k( 188) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0025381 k( 189) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0025381 k( 190) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0025381 k( 191) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0025381 k( 192) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0025381 k( 193) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0025381 k( 194) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0025381 k( 196) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0025381 k( 197) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0025381 k( 198) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0025381 k( 199) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0025381 k( 200) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0025381 k( 201) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0025381 k( 202) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0025381 k( 203) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0025381 k( 204) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0025381 k( 205) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0025381 k( 206) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0025381 k( 207) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0025381 k( 208) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0025381 k( 209) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0025381 k( 210) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0025381 k( 211) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0025381 k( 212) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0025381 k( 213) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0025381 k( 214) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0025381 k( 215) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0025381 k( 216) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0025381 k( 217) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0025381 k( 218) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0025381 k( 219) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0025381 k( 220) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0025381 k( 221) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0025381 k( 222) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0025381 k( 223) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0025381 k( 224) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0025381 k( 225) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 226) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 227) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0025381 k( 228) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0025381 k( 229) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0025381 k( 230) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0025381 k( 231) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0025381 k( 232) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0025381 k( 233) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0025381 k( 234) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0025381 k( 235) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0025381 k( 236) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0025381 k( 237) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0025381 k( 238) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0025381 k( 239) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0025381 k( 240) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0025381 k( 241) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0025381 k( 242) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0025381 k( 243) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0025381 k( 244) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0025381 k( 245) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0025381 k( 246) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0025381 k( 247) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0025381 k( 248) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0025381 k( 249) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0025381 k( 250) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0025381 k( 251) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0025381 k( 252) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0025381 k( 253) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0025381 k( 254) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0025381 k( 255) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0025381 k( 256) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0025381 k( 257) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0025381 k( 258) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0025381 k( 259) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0025381 k( 260) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0025381 k( 261) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0025381 k( 262) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0025381 k( 263) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0025381 k( 264) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0025381 k( 265) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0025381 k( 266) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0025381 k( 267) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0025381 k( 268) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0025381 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 271) = ( 0.4916667 0.4916667 0.5000000), wk = 0.0025381 k( 272) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0025381 k( 273) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0025381 k( 274) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0025381 k( 275) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0025381 k( 276) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0025381 k( 277) = ( 0.4416667 0.4416667 0.5000000), wk = 0.0025381 k( 278) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0025381 k( 279) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0025381 k( 280) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0025381 k( 281) = ( 0.4083333 0.4083333 0.5000000), wk = 0.0025381 k( 282) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0025381 k( 283) = ( 0.3916667 0.3916667 0.5000000), wk = 0.0025381 k( 284) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0025381 k( 285) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0025381 k( 286) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0025381 k( 287) = ( 0.3583333 0.3583333 0.5000000), wk = 0.0025381 k( 288) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0025381 k( 289) = ( 0.3416667 0.3416667 0.5000000), wk = 0.0025381 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025381 k( 291) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0025381 k( 292) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0025381 k( 293) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0025381 k( 294) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025381 k( 295) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0025381 k( 296) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0025381 k( 297) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0025381 k( 298) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0025381 k( 299) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0025381 k( 300) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025381 k( 301) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0025381 k( 302) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0025381 k( 303) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0025381 k( 304) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0025381 k( 305) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0025381 k( 306) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025381 k( 307) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0025381 k( 308) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0025381 k( 309) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0025381 k( 310) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025381 k( 311) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0025381 k( 312) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0025381 k( 313) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0025381 k( 314) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0025381 k( 315) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0025381 k( 316) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0025381 k( 317) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0025381 k( 318) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025381 k( 319) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0025381 k( 320) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0025381 k( 321) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0025381 k( 322) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0025381 k( 323) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0025381 k( 324) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0025381 k( 325) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0025381 k( 326) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0025381 k( 327) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0025381 k( 328) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0025381 k( 329) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0025381 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 331) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025381 k( 332) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0025381 k( 333) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0025381 k( 334) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0025381 k( 335) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0025381 k( 336) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0025381 k( 337) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0025381 k( 338) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0025381 k( 339) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0025381 k( 340) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0025381 k( 341) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0025381 k( 342) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0025381 k( 343) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0025381 k( 344) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0025381 k( 345) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0025381 k( 346) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0025381 k( 347) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0025381 k( 348) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0025381 k( 349) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0025381 k( 350) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0025381 k( 351) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0025381 k( 352) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0025381 k( 353) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0025381 k( 354) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0025381 k( 355) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0025381 k( 356) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0025381 k( 357) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0025381 k( 358) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0025381 k( 359) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0025381 k( 360) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0025381 k( 361) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0025381 k( 362) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 363) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 364) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0025381 k( 365) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0025381 k( 366) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0025381 k( 367) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0025381 k( 368) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0025381 k( 369) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0025381 k( 370) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0025381 k( 371) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0025381 k( 372) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0025381 k( 373) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0025381 k( 374) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0025381 k( 375) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0025381 k( 376) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0025381 k( 377) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0025381 k( 378) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0025381 k( 379) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0025381 k( 380) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0025381 k( 381) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0025381 k( 382) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0025381 k( 383) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0025381 k( 384) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0025381 k( 385) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0025381 k( 386) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0025381 k( 387) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0025381 k( 388) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0025381 k( 389) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0025381 k( 390) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0025381 k( 391) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0025381 k( 392) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0025381 k( 393) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0025381 k( 394) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 Dense grid: 72061 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 36203 G-vectors FFT dimensions: ( 40, 40, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 258, 36) NL pseudopotentials 0.15 Mb ( 129, 76) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.02 Mb ( 2003) G-vector shells 0.01 Mb ( 969) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 258, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.08 Mb ( 76, 2, 36) The potential is recalculated from file : ./NaAuC2.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 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.3 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.1 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 7.9 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.4 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 8.9 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.7 secs Computing kpt #: 27 total cpu time spent up to now is 9.9 secs Computing kpt #: 28 total cpu time spent up to now is 10.2 secs Computing kpt #: 29 total cpu time spent up to now is 10.4 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.2 secs Computing kpt #: 33 total cpu time spent up to now is 11.5 secs Computing kpt #: 34 total cpu time spent up to now is 11.8 secs Computing kpt #: 35 total cpu time spent up to now is 12.0 secs Computing kpt #: 36 total cpu time spent up to now is 12.3 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.8 secs Computing kpt #: 39 total cpu time spent up to now is 13.1 secs Computing kpt #: 40 total cpu time spent up to now is 13.4 secs Computing kpt #: 41 total cpu time spent up to now is 13.6 secs Computing kpt #: 42 total cpu time spent up to now is 13.9 secs Computing kpt #: 43 total cpu time spent up to now is 14.1 secs Computing kpt #: 44 total cpu time spent up to now is 14.4 secs Computing kpt #: 45 total cpu time spent up to now is 14.6 secs Computing kpt #: 46 total cpu time spent up to now is 14.9 secs Computing kpt #: 47 total cpu time spent up to now is 15.1 secs Computing kpt #: 48 total cpu time spent up to now is 15.4 secs Computing kpt #: 49 total cpu time spent up to now is 15.6 secs Computing kpt #: 50 total cpu time spent up to now is 15.9 secs Computing kpt #: 51 total cpu time spent up to now is 16.2 secs Computing kpt #: 52 total cpu time spent up to now is 16.4 secs Computing kpt #: 53 total cpu time spent up to now is 16.7 secs Computing kpt #: 54 total cpu time spent up to now is 17.0 secs Computing kpt #: 55 total cpu time spent up to now is 17.3 secs Computing kpt #: 56 total cpu time spent up to now is 17.6 secs Computing kpt #: 57 total cpu time spent up to now is 17.9 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.4 secs Computing kpt #: 60 total cpu time spent up to now is 18.7 secs Computing kpt #: 61 total cpu time spent up to now is 19.0 secs Computing kpt #: 62 total cpu time spent up to now is 19.2 secs Computing kpt #: 63 total cpu time spent up to now is 19.5 secs Computing kpt #: 64 total cpu time spent up to now is 19.7 secs Computing kpt #: 65 total cpu time spent up to now is 20.0 secs Computing kpt #: 66 total cpu time spent up to now is 20.2 secs Computing kpt #: 67 total cpu time spent up to now is 20.5 secs Computing kpt #: 68 total cpu time spent up to now is 20.7 secs Computing kpt #: 69 total cpu time spent up to now is 21.0 secs Computing kpt #: 70 total cpu time spent up to now is 21.2 secs Computing kpt #: 71 total cpu time spent up to now is 21.5 secs Computing kpt #: 72 total cpu time spent up to now is 21.8 secs Computing kpt #: 73 total cpu time spent up to now is 22.0 secs Computing kpt #: 74 total cpu time spent up to now is 22.3 secs Computing kpt #: 75 total cpu time spent up to now is 22.5 secs Computing kpt #: 76 total cpu time spent up to now is 22.8 secs Computing kpt #: 77 total cpu time spent up to now is 23.1 secs Computing kpt #: 78 total cpu time spent up to now is 23.3 secs Computing kpt #: 79 total cpu time spent up to now is 23.6 secs Computing kpt #: 80 total cpu time spent up to now is 23.9 secs Computing kpt #: 81 total cpu time spent up to now is 24.2 secs Computing kpt #: 82 total cpu time spent up to now is 24.5 secs Computing kpt #: 83 total cpu time spent up to now is 24.8 secs Computing kpt #: 84 total cpu time spent up to now is 25.0 secs Computing kpt #: 85 total cpu time spent up to now is 25.3 secs Computing kpt #: 86 total cpu time spent up to now is 25.6 secs Computing kpt #: 87 total cpu time spent up to now is 25.9 secs Computing kpt #: 88 total cpu time spent up to now is 26.2 secs Computing kpt #: 89 total cpu time spent up to now is 26.5 secs Computing kpt #: 90 total cpu time spent up to now is 26.8 secs Computing kpt #: 91 total cpu time spent up to now is 27.1 secs Computing kpt #: 92 total cpu time spent up to now is 27.4 secs Computing kpt #: 93 total cpu time spent up to now is 27.7 secs Computing kpt #: 94 total cpu time spent up to now is 27.9 secs Computing kpt #: 95 total cpu time spent up to now is 28.2 secs Computing kpt #: 96 total cpu time spent up to now is 28.5 secs Computing kpt #: 97 total cpu time spent up to now is 28.8 secs Computing kpt #: 98 total cpu time spent up to now is 29.0 secs Computing kpt #: 99 total cpu time spent up to now is 29.3 secs Computing kpt #: 100 total cpu time spent up to now is 29.6 secs Computing kpt #: 101 total cpu time spent up to now is 29.8 secs Computing kpt #: 102 total cpu time spent up to now is 30.1 secs Computing kpt #: 103 total cpu time spent up to now is 30.3 secs Computing kpt #: 104 total cpu time spent up to now is 30.6 secs Computing kpt #: 105 total cpu time spent up to now is 30.8 secs Computing kpt #: 106 total cpu time spent up to now is 31.1 secs Computing kpt #: 107 total cpu time spent up to now is 31.3 secs Computing kpt #: 108 total cpu 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secs Computing kpt #: 170 total cpu time spent up to now is 47.4 secs Computing kpt #: 171 total cpu time spent up to now is 47.6 secs Computing kpt #: 172 total cpu time spent up to now is 47.8 secs Computing kpt #: 173 total cpu time spent up to now is 48.1 secs Computing kpt #: 174 total cpu time spent up to now is 48.3 secs Computing kpt #: 175 total cpu time spent up to now is 48.5 secs Computing kpt #: 176 total cpu time spent up to now is 48.7 secs Computing kpt #: 177 total cpu time spent up to now is 48.9 secs Computing kpt #: 178 total cpu time spent up to now is 49.2 secs Computing kpt #: 179 total cpu time spent up to now is 49.4 secs Computing kpt #: 180 total cpu time spent up to now is 49.6 secs Computing kpt #: 181 total cpu time spent up to now is 49.8 secs Computing kpt #: 182 total cpu time spent up to now is 50.0 secs Computing kpt #: 183 total cpu time spent up to now is 50.2 secs Computing kpt #: 184 total cpu time spent up to now is 50.5 secs Computing kpt #: 185 total cpu time spent up to now is 50.7 secs Computing kpt #: 186 total cpu time spent up to now is 50.9 secs Computing kpt #: 187 total cpu time spent up to now is 51.1 secs Computing kpt #: 188 total cpu time spent up to now is 51.3 secs Computing kpt #: 189 total cpu time spent up to now is 51.6 secs Computing kpt #: 190 total cpu time spent up to now is 51.8 secs Computing kpt #: 191 total cpu time spent up to now is 52.1 secs Computing kpt #: 192 total cpu time spent up to now is 52.4 secs Computing kpt #: 193 total cpu time spent up to now is 52.8 secs Computing kpt #: 194 total cpu time spent up to now is 53.1 secs Computing kpt #: 195 total cpu time spent up to now is 53.3 secs Computing kpt #: 196 total cpu time spent up to now is 53.6 secs Computing kpt #: 197 total cpu time spent up to now is 53.8 secs Computing kpt #: 198 total cpu time spent up to now is 54.0 secs Computing kpt #: 199 total cpu time spent up to now is 54.3 secs Computing kpt #: 200 total cpu time spent up 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Computing kpt #: 216 total cpu time spent up to now is 58.4 secs Computing kpt #: 217 total cpu time spent up to now is 58.7 secs Computing kpt #: 218 total cpu time spent up to now is 59.0 secs Computing kpt #: 219 total cpu time spent up to now is 59.3 secs Computing kpt #: 220 total cpu time spent up to now is 59.6 secs Computing kpt #: 221 total cpu time spent up to now is 59.9 secs Computing kpt #: 222 total cpu time spent up to now is 60.2 secs Computing kpt #: 223 total cpu time spent up to now is 60.4 secs Computing kpt #: 224 total cpu time spent up to now is 60.7 secs Computing kpt #: 225 total cpu time spent up to now is 60.9 secs Computing kpt #: 226 total cpu time spent up to now is 61.2 secs Computing kpt #: 227 total cpu time spent up to now is 61.4 secs Computing kpt #: 228 total cpu time spent up to now is 61.6 secs Computing kpt #: 229 total cpu time spent up to now is 61.9 secs Computing kpt #: 230 total cpu time spent up to now is 62.1 secs Computing kpt #: 231 total cpu time spent up to now is 62.4 secs Computing kpt #: 232 total cpu time spent up to now is 62.6 secs Computing kpt #: 233 total cpu time spent up to now is 62.9 secs Computing kpt #: 234 total cpu time spent up to now is 63.1 secs Computing kpt #: 235 total cpu time spent up to now is 63.4 secs Computing kpt #: 236 total cpu time spent up to now is 63.7 secs Computing kpt #: 237 total cpu time spent up to now is 63.9 secs Computing kpt #: 238 total cpu time spent up to now is 64.2 secs Computing kpt #: 239 total cpu time spent up to now is 64.4 secs Computing kpt #: 240 total cpu time spent up to now is 64.7 secs Computing kpt #: 241 total cpu time spent up to now is 65.0 secs Computing kpt #: 242 total cpu time spent up to now is 65.3 secs Computing kpt #: 243 total cpu time spent up to now is 65.6 secs Computing kpt #: 244 total cpu time spent up to now is 65.9 secs Computing kpt #: 245 total cpu time spent up to now is 66.1 secs Computing kpt #: 246 total cpu time spent up to now is 66.5 secs Computing kpt #: 247 total cpu time spent up to now is 66.8 secs Computing kpt #: 248 total cpu time spent up to now is 67.1 secs Computing kpt #: 249 total cpu time spent up to now is 67.5 secs Computing kpt #: 250 total cpu time spent up to now is 67.8 secs Computing kpt #: 251 total cpu time spent up to now is 68.1 secs Computing kpt #: 252 total cpu time spent up to now is 68.4 secs Computing kpt #: 253 total cpu time spent up to now is 68.7 secs Computing kpt #: 254 total cpu time spent up to now is 69.0 secs Computing kpt #: 255 total cpu time spent up to now is 69.3 secs Computing kpt #: 256 total cpu time spent up to now is 69.6 secs Computing kpt #: 257 total cpu time spent up to now is 69.9 secs Computing kpt #: 258 total cpu time spent up to now is 70.2 secs Computing kpt #: 259 total cpu time spent up to now is 70.5 secs Computing kpt #: 260 total cpu time spent up to now is 70.8 secs Computing kpt #: 261 total cpu time spent up to now is 71.1 secs Computing kpt #: 262 total cpu time spent up to now is 71.4 secs Computing kpt #: 263 total cpu time spent up to now is 71.7 secs Computing kpt #: 264 total cpu time spent up to now is 72.1 secs Computing kpt #: 265 total cpu time spent up to now is 72.4 secs Computing kpt #: 266 total cpu time spent up to now is 72.7 secs Computing kpt #: 267 total cpu time spent up to now is 73.0 secs Computing kpt #: 268 total cpu time spent up to now is 73.4 secs Computing kpt #: 269 total cpu time spent up to now is 73.7 secs Computing kpt #: 270 total cpu time spent up to now is 74.0 secs Computing kpt #: 271 total cpu time spent up to now is 74.3 secs Computing kpt #: 272 total cpu time spent up to now is 74.6 secs Computing kpt #: 273 total cpu time spent up to now is 74.9 secs Computing kpt #: 274 total cpu time spent up to now is 75.2 secs Computing kpt #: 275 total cpu time spent up to now is 75.5 secs Computing kpt #: 276 total cpu time spent up to now is 75.8 secs Computing kpt #: 277 total cpu time spent up to now is 76.1 secs Computing kpt #: 278 total cpu time spent up to now is 76.4 secs Computing kpt #: 279 total cpu time spent up to now is 76.7 secs Computing kpt #: 280 total cpu time spent up to now is 77.0 secs Computing kpt #: 281 total cpu time spent up to now is 77.3 secs Computing kpt #: 282 total cpu time spent up to now is 77.5 secs Computing kpt #: 283 total cpu time spent up to now is 77.8 secs Computing kpt #: 284 total cpu time spent up to now is 78.1 secs Computing kpt #: 285 total cpu time spent up to now is 78.4 secs Computing kpt #: 286 total cpu time spent up to now is 78.6 secs Computing kpt #: 287 total cpu time spent up to now is 78.9 secs Computing kpt #: 288 total cpu time spent up to now is 79.2 secs Computing kpt #: 289 total cpu time spent up to now is 79.4 secs Computing kpt #: 290 total cpu time spent up to now is 79.7 secs Computing kpt #: 291 total cpu time spent up to now is 80.0 secs Computing kpt #: 292 total cpu time spent up to now is 80.2 secs Computing kpt #: 293 total cpu time spent up to now is 80.5 secs Computing kpt #: 294 total cpu time spent up to now is 80.7 secs Computing kpt #: 295 total cpu time spent up to now is 81.0 secs Computing kpt #: 296 total cpu time spent up to now is 81.2 secs Computing kpt #: 297 total cpu time spent up to now is 81.5 secs Computing kpt #: 298 total cpu time spent up to now is 81.7 secs Computing kpt #: 299 total cpu time spent up to now is 81.9 secs Computing kpt #: 300 total cpu time spent up to now is 82.2 secs Computing kpt #: 301 total cpu time spent up to now is 82.4 secs Computing kpt #: 302 total cpu time spent up to now is 82.6 secs Computing kpt #: 303 total cpu time spent up to now is 82.9 secs Computing kpt #: 304 total cpu time spent up to now is 83.1 secs Computing kpt #: 305 total cpu time spent up to now is 83.3 secs Computing kpt #: 306 total cpu time spent up to now is 83.6 secs Computing kpt #: 307 total cpu time spent up to now is 83.8 secs Computing kpt #: 308 total cpu time spent up to now is 84.0 secs Computing kpt #: 309 total cpu time spent up to now is 84.3 secs Computing kpt #: 310 total cpu time spent up to now is 84.5 secs Computing kpt #: 311 total cpu time spent up to now is 84.7 secs Computing kpt #: 312 total cpu time spent up to now is 85.0 secs Computing kpt #: 313 total cpu time spent up to now is 85.2 secs Computing kpt #: 314 total cpu time spent up to now is 85.4 secs Computing kpt #: 315 total cpu time spent up to now is 85.6 secs Computing kpt #: 316 total cpu time spent up to now is 85.9 secs Computing kpt #: 317 total cpu time spent up to now is 86.1 secs Computing kpt #: 318 total cpu time spent up to now is 86.3 secs Computing kpt #: 319 total cpu time spent up to now is 86.6 secs Computing kpt #: 320 total cpu time spent up to now is 86.8 secs Computing kpt #: 321 total cpu time spent up to now is 87.0 secs Computing kpt #: 322 total cpu time spent up to now is 87.2 secs Computing kpt #: 323 total cpu time spent up to now is 87.5 secs Computing kpt #: 324 total cpu time spent up to now is 87.7 secs Computing kpt #: 325 total cpu time spent up to now is 87.9 secs Computing kpt #: 326 total cpu time spent up to now is 88.1 secs Computing kpt #: 327 total cpu time spent up to now is 88.3 secs Computing kpt #: 328 total cpu time spent up to now is 88.5 secs Computing kpt #: 329 total cpu time spent up to now is 88.8 secs Computing kpt #: 330 total cpu time spent up to now is 89.0 secs Computing kpt #: 331 total cpu time spent up to now is 89.2 secs Computing kpt #: 332 total cpu time spent up to now is 89.5 secs Computing kpt #: 333 total cpu time spent up to now is 89.7 secs Computing kpt #: 334 total cpu time spent up to now is 90.0 secs Computing kpt #: 335 total cpu time spent up to now is 90.3 secs Computing kpt #: 336 total cpu time spent up to now is 90.5 secs Computing kpt #: 337 total cpu time spent up to now is 90.8 secs Computing kpt #: 338 total cpu time spent up to now is 91.1 secs Computing kpt #: 339 total cpu time spent up to now is 91.3 secs Computing kpt #: 340 total cpu time spent up to now is 91.6 secs Computing kpt #: 341 total cpu time spent up to now is 91.9 secs Computing kpt #: 342 total cpu time spent up to now is 92.2 secs Computing kpt #: 343 total cpu time spent up to now is 92.4 secs Computing kpt #: 344 total cpu time spent up to now is 92.7 secs Computing kpt #: 345 total cpu time spent up to now is 93.0 secs Computing kpt #: 346 total cpu time spent up to now is 93.3 secs Computing kpt #: 347 total cpu time spent up to now is 93.5 secs Computing kpt #: 348 total cpu time spent up to now is 93.8 secs Computing kpt #: 349 total cpu time spent up to now is 94.1 secs Computing kpt #: 350 total cpu time spent up to now is 94.3 secs Computing kpt #: 351 total cpu time spent up to now is 94.6 secs Computing kpt #: 352 total cpu time spent up to now is 94.9 secs Computing kpt #: 353 total cpu time spent up to now is 95.1 secs Computing kpt #: 354 total cpu time spent up to now is 95.4 secs Computing kpt #: 355 total cpu time spent up to now is 95.6 secs Computing kpt #: 356 total cpu time spent up to now is 95.9 secs Computing kpt #: 357 total cpu time spent up to now is 96.1 secs Computing kpt #: 358 total cpu time spent up to now is 96.4 secs Computing kpt #: 359 total cpu time spent up to now is 96.7 secs Computing kpt #: 360 total cpu time spent up to now is 96.9 secs Computing kpt #: 361 total cpu time spent up to now is 97.1 secs Computing kpt #: 362 total cpu time spent up to now is 97.4 secs Computing kpt #: 363 total cpu time spent up to now is 97.7 secs Computing kpt #: 364 total cpu time spent up to now is 98.0 secs Computing kpt #: 365 total cpu time spent up to now is 98.3 secs Computing kpt #: 366 total cpu time spent up to now is 98.6 secs Computing kpt #: 367 total cpu time spent up to now is 98.9 secs Computing kpt #: 368 total cpu time spent up to now is 99.1 secs Computing kpt #: 369 total cpu time spent up to now is 99.4 secs Computing kpt #: 370 total cpu time spent up to now is 99.7 secs Computing kpt #: 371 total cpu time spent up to now is 100.0 secs Computing kpt #: 372 total cpu time spent up to now is 100.3 secs Computing kpt #: 373 total cpu time spent up to now is 100.5 secs Computing kpt #: 374 total cpu time spent up to now is 100.8 secs Computing kpt #: 375 total cpu time spent up to now is 101.1 secs Computing kpt #: 376 total cpu time spent up to now is 101.4 secs Computing kpt #: 377 total cpu time spent up to now is 101.6 secs Computing kpt #: 378 total cpu time spent up to now is 101.9 secs Computing kpt #: 379 total cpu time spent up to now is 102.2 secs Computing kpt #: 380 total cpu time spent up to now is 102.5 secs Computing kpt #: 381 total cpu time spent up to now is 102.8 secs Computing kpt #: 382 total cpu time spent up to now is 103.1 secs Computing kpt #: 383 total cpu time spent up to now is 103.4 secs Computing kpt #: 384 total cpu time spent up to now is 103.7 secs Computing kpt #: 385 total cpu time spent up to now is 104.0 secs Computing kpt #: 386 total cpu time spent up to now is 104.4 secs Computing kpt #: 387 total cpu time spent up to now is 104.7 secs Computing kpt #: 388 total cpu time spent up to now is 105.1 secs Computing kpt #: 389 total cpu time spent up to now is 105.4 secs Computing kpt #: 390 total cpu time spent up to now is 105.7 secs Computing kpt #: 391 total cpu time spent up to now is 106.1 secs Computing kpt #: 392 total cpu time spent up to now is 106.4 secs Computing kpt #: 393 total cpu time spent up to now is 106.7 secs Computing kpt #: 394 total cpu time spent up to now is 107.0 secs ethr = 3.57E-08, avg # of iterations = 15.5 total cpu time spent up to now is 107.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5409 -9.5409 -2.4419 -2.4419 -0.8805 -0.8805 0.4838 0.4838 0.6071 0.6071 1.4105 1.4105 1.7841 1.7841 2.1651 2.1651 2.2032 2.2032 2.4908 2.4908 9.8978 9.8978 11.1094 11.1094 11.3825 11.3825 11.6133 11.6133 k = 0.0000 0.0116-0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5406 -9.5406 -2.4418 -2.4418 -0.8802 -0.8802 0.4841 0.4841 0.6072 0.6072 1.4106 1.4106 1.7839 1.7839 2.1645 2.1645 2.2027 2.2027 2.4908 2.4908 9.9005 9.9005 11.1060 11.1060 11.3794 11.3794 11.6081 11.6081 k = 0.0000 0.0233-0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5398 -9.5398 -2.4416 -2.4416 -0.8793 -0.8793 0.4848 0.4848 0.6073 0.6073 1.4108 1.4108 1.7836 1.7836 2.1626 2.1626 2.2013 2.2013 2.4907 2.4907 9.9084 9.9084 11.0956 11.0956 11.3704 11.3704 11.5927 11.5927 k = 0.0000 0.0349-0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3703 -18.3703 -18.3385 -18.3385 -9.5386 -9.5386 -2.4411 -2.4411 -0.8778 -0.8778 0.4860 0.4860 0.6076 0.6076 1.4111 1.4111 1.7830 1.7830 2.1592 2.1592 2.1994 2.1994 2.4906 2.4906 9.9216 9.9216 11.0776 11.0776 11.3568 11.3568 11.5681 11.5681 k = 0.0000 0.0465-0.0000 ( 4523 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3703 -18.3703 -18.3387 -18.3387 -9.5368 -9.5368 -2.4405 -2.4405 -0.8756 -0.8756 0.4876 0.4876 0.6079 0.6079 1.4115 1.4115 1.7821 1.7821 2.1540 2.1540 2.1975 2.1975 2.4905 2.4905 9.9398 9.9398 11.0514 11.0514 11.3394 11.3394 11.5357 11.5357 k = 0.0000 0.0581-0.0000 ( 4523 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3704 -18.3704 -18.3389 -18.3389 -9.5346 -9.5346 -2.4397 -2.4397 -0.8729 -0.8729 0.4897 0.4897 0.6083 0.6083 1.4117 1.4117 1.7809 1.7809 2.1470 2.1470 2.1959 2.1959 2.4904 2.4904 9.9631 9.9631 11.0167 11.0167 11.3182 11.3182 11.4980 11.4980 k = 0.0000 0.0698-0.0000 ( 4527 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3391 -18.3391 -9.5318 -9.5318 -2.4387 -2.4387 -0.8695 -0.8695 0.4920 0.4920 0.6087 0.6087 1.4116 1.4116 1.7793 1.7793 2.1383 2.1383 2.1949 2.1949 2.4902 2.4902 9.9912 9.9912 10.9735 10.9735 11.2906 11.2906 11.4592 11.4592 k = 0.0000 0.0814-0.0000 ( 4527 PWs) bands (ev): -46.4937 -46.4937 -18.5389 -18.5389 -18.3706 -18.3706 -18.3393 -18.3393 -9.5287 -9.5287 -2.4376 -2.4376 -0.8656 -0.8656 0.4947 0.4947 0.6092 0.6092 1.4111 1.4111 1.7773 1.7773 2.1284 2.1284 2.1944 2.1944 2.4901 2.4901 10.0239 10.0239 10.9224 10.9224 11.2517 11.2517 11.4254 11.4254 k = 0.0000 0.0930-0.0000 ( 4531 PWs) bands (ev): -46.4937 -46.4937 -18.5390 -18.5390 -18.3707 -18.3707 -18.3395 -18.3395 -9.5250 -9.5250 -2.4363 -2.4363 -0.8611 -0.8611 0.4976 0.4976 0.6097 0.6097 1.4099 1.4099 1.7749 1.7749 2.1180 2.1180 2.1943 2.1943 2.4901 2.4901 10.0610 10.0610 10.8640 10.8640 11.1979 11.1979 11.4011 11.4011 k = 0.0000 0.1047-0.0000 ( 4527 PWs) bands (ev): -46.4937 -46.4937 -18.5391 -18.5391 -18.3708 -18.3708 -18.3398 -18.3398 -9.5210 -9.5210 -2.4349 -2.4349 -0.8560 -0.8560 0.5007 0.5007 0.6102 0.6102 1.4076 1.4076 1.7719 1.7719 2.1076 2.1076 2.1947 2.1947 2.4902 2.4902 10.1022 10.1022 10.7986 10.7986 11.1305 11.1305 11.3864 11.3864 k = 0.0000 0.1163-0.0000 ( 4525 PWs) bands (ev): -46.4937 -46.4937 -18.5392 -18.5392 -18.3709 -18.3709 -18.3401 -18.3401 -9.5165 -9.5165 -2.4333 -2.4333 -0.8504 -0.8504 0.5039 0.5039 0.6106 0.6106 1.4039 1.4039 1.7685 1.7685 2.0979 2.0979 2.1954 2.1954 2.4906 2.4906 10.1473 10.1473 10.7262 10.7262 11.0539 11.0539 11.3783 11.3783 k = 0.0000 0.1279-0.0000 ( 4521 PWs) bands (ev): -46.4936 -46.4936 -18.5394 -18.5394 -18.3711 -18.3711 -18.3404 -18.3404 -9.5116 -9.5116 -2.4316 -2.4316 -0.8443 -0.8443 0.5071 0.5071 0.6109 0.6109 1.3983 1.3983 1.7646 1.7646 2.0896 2.0896 2.1964 2.1964 2.4913 2.4913 10.1958 10.1958 10.6463 10.6463 10.9722 10.9722 11.3746 11.3746 k = 0.0000 0.1395-0.0000 ( 4523 PWs) bands (ev): -46.4936 -46.4936 -18.5395 -18.5395 -18.3713 -18.3713 -18.3407 -18.3407 -9.5064 -9.5064 -2.4297 -2.4297 -0.8377 -0.8377 0.5103 0.5103 0.6111 0.6111 1.3905 1.3905 1.7604 1.7604 2.0831 2.0831 2.1976 2.1976 2.4926 2.4926 10.2474 10.2474 10.5584 10.5584 10.8891 10.8891 11.3739 11.3739 k = 0.0000 0.1512-0.0000 ( 4515 PWs) bands (ev): -46.4936 -46.4936 -18.5397 -18.5397 -18.3714 -18.3714 -18.3410 -18.3410 -9.5008 -9.5008 -2.4278 -2.4278 -0.8306 -0.8306 0.5134 0.5134 0.6112 0.6112 1.3801 1.3801 1.7561 1.7561 2.0790 2.0790 2.1991 2.1991 2.4945 2.4945 10.3013 10.3013 10.4619 10.4619 10.8076 10.8076 11.3752 11.3752 k = 0.0000 0.1628-0.0000 ( 4517 PWs) bands (ev): -46.4936 -46.4936 -18.5399 -18.5399 -18.3717 -18.3717 -18.3413 -18.3413 -9.4949 -9.4949 -2.4257 -2.4257 -0.8230 -0.8230 0.5164 0.5164 0.6110 0.6110 1.3666 1.3666 1.7518 1.7518 2.0773 2.0773 2.2008 2.2008 2.4972 2.4972 10.3445 10.3445 10.3692 10.3692 10.7300 10.7300 11.3781 11.3781 k = 0.0000 0.1744-0.0000 ( 4515 PWs) bands (ev): -46.4935 -46.4935 -18.5401 -18.5401 -18.3719 -18.3719 -18.3416 -18.3416 -9.4887 -9.4887 -2.4236 -2.4236 -0.8150 -0.8150 0.5193 0.5193 0.6107 0.6107 1.3500 1.3500 1.7479 1.7479 2.0782 2.0782 2.2028 2.2028 2.5011 2.5011 10.2403 10.2403 10.4152 10.4152 10.6589 10.6589 11.3821 11.3821 k = 0.0000 0.1860-0.0000 ( 4516 PWs) bands (ev): -46.4935 -46.4935 -18.5403 -18.5403 -18.3721 -18.3721 -18.3420 -18.3420 -9.4823 -9.4823 -2.4213 -2.4213 -0.8066 -0.8066 0.5218 0.5218 0.6102 0.6102 1.3300 1.3300 1.7444 1.7444 2.0815 2.0815 2.2051 2.2051 2.5064 2.5064 10.1194 10.1194 10.4625 10.4625 10.6023 10.6023 11.3871 11.3871 k = 0.0000 0.1977-0.0000 ( 4520 PWs) bands (ev): -46.4935 -46.4935 -18.5405 -18.5405 -18.3724 -18.3724 -18.3423 -18.3423 -9.4757 -9.4757 -2.4190 -2.4190 -0.7979 -0.7979 0.5241 0.5241 0.6094 0.6094 1.3068 1.3068 1.7415 1.7415 2.0869 2.0869 2.2076 2.2076 2.5134 2.5134 9.9924 9.9924 10.4668 10.4668 10.5945 10.5945 11.3928 11.3928 k = 0.0000 0.2093-0.0000 ( 4518 PWs) bands (ev): -46.4935 -46.4935 -18.5407 -18.5407 -18.3727 -18.3727 -18.3427 -18.3427 -9.4688 -9.4688 -2.4166 -2.4166 -0.7888 -0.7888 0.5261 0.5261 0.6084 0.6084 1.2807 1.2807 1.7393 1.7393 2.0941 2.0941 2.2104 2.2104 2.5226 2.5226 9.8608 9.8608 10.4212 10.4212 10.6416 10.6416 11.3992 11.3992 k = 0.0000 0.2209-0.0000 ( 4510 PWs) bands (ev): -46.4934 -46.4934 -18.5409 -18.5409 -18.3730 -18.3730 -18.3430 -18.3430 -9.4619 -9.4619 -2.4142 -2.4142 -0.7794 -0.7794 0.5277 0.5277 0.6073 0.6073 1.2519 1.2519 1.7377 1.7377 2.1025 2.1025 2.2135 2.2135 2.5343 2.5343 9.7259 9.7259 10.3646 10.3646 10.7041 10.7041 11.4061 11.4061 k = 0.0000 0.2326-0.0000 ( 4510 PWs) bands (ev): -46.4934 -46.4934 -18.5411 -18.5411 -18.3733 -18.3733 -18.3433 -18.3433 -9.4548 -9.4548 -2.4117 -2.4117 -0.7697 -0.7697 0.5289 0.5289 0.6060 0.6060 1.2209 1.2209 1.7366 1.7366 2.1115 2.1115 2.2169 2.2169 2.5490 2.5490 9.5887 9.5887 10.3074 10.3074 10.7712 10.7712 11.4134 11.4134 k = 0.0000 0.2442-0.0000 ( 4510 PWs) bands (ev): -46.4934 -46.4934 -18.5414 -18.5414 -18.3736 -18.3736 -18.3436 -18.3436 -9.4476 -9.4476 -2.4092 -2.4092 -0.7598 -0.7598 0.5297 0.5297 0.6046 0.6046 1.1881 1.1881 1.7360 1.7360 2.1206 2.1206 2.2204 2.2204 2.5670 2.5670 9.4501 9.4501 10.2515 10.2515 10.8404 10.8404 11.4211 11.4211 k = 0.0000 0.2558-0.0000 ( 4510 PWs) bands (ev): -46.4934 -46.4934 -18.5416 -18.5416 -18.3739 -18.3739 -18.3439 -18.3439 -9.4404 -9.4404 -2.4066 -2.4066 -0.7498 -0.7498 0.5299 0.5299 0.6032 0.6032 1.1539 1.1539 1.7357 1.7357 2.1294 2.1294 2.2241 2.2241 2.5886 2.5886 9.3109 9.3109 10.1974 10.1974 10.9109 10.9109 11.4292 11.4292 k = 0.0000 0.2674-0.0000 ( 4514 PWs) bands (ev): -46.4933 -46.4933 -18.5419 -18.5419 -18.3743 -18.3743 -18.3442 -18.3442 -9.4332 -9.4332 -2.4041 -2.4041 -0.7396 -0.7396 0.5297 0.5297 0.6018 0.6018 1.1188 1.1188 1.7357 1.7357 2.1376 2.1376 2.2278 2.2278 2.6141 2.6141 9.1719 9.1719 10.1454 10.1454 10.9820 10.9820 11.4376 11.4376 k = 0.0000 0.2791-0.0000 ( 4516 PWs) bands (ev): -46.4933 -46.4933 -18.5421 -18.5421 -18.3747 -18.3747 -18.3444 -18.3444 -9.4260 -9.4260 -2.4016 -2.4016 -0.7294 -0.7294 0.5289 0.5289 0.6004 0.6004 1.0832 1.0832 1.7359 1.7359 2.1449 2.1449 2.2313 2.2313 2.6434 2.6434 9.0337 9.0337 10.0956 10.0956 11.0532 11.0532 11.4463 11.4463 k = 0.0000 0.2907-0.0000 ( 4516 PWs) bands (ev): -46.4933 -46.4933 -18.5424 -18.5424 -18.3750 -18.3750 -18.3447 -18.3447 -9.4189 -9.4189 -2.3991 -2.3991 -0.7191 -0.7191 0.5276 0.5276 0.5993 0.5993 1.0474 1.0474 1.7361 1.7361 2.1512 2.1512 2.2346 2.2346 2.6764 2.6764 8.8969 8.8969 10.0481 10.0481 11.1243 11.1243 11.4554 11.4554 k = 0.0000 0.3023-0.0000 ( 4522 PWs) bands (ev): -46.4933 -46.4933 -18.5426 -18.5426 -18.3754 -18.3754 -18.3449 -18.3449 -9.4120 -9.4120 -2.3967 -2.3967 -0.7089 -0.7089 0.5259 0.5259 0.5983 0.5983 1.0117 1.0117 1.7365 1.7365 2.1567 2.1567 2.2375 2.2375 2.7129 2.7129 8.7621 8.7621 10.0027 10.0027 11.1945 11.1945 11.4652 11.4652 k = 0.0000 0.3140-0.0000 ( 4526 PWs) bands (ev): -46.4933 -46.4933 -18.5429 -18.5429 -18.3758 -18.3758 -18.3451 -18.3451 -9.4051 -9.4051 -2.3943 -2.3943 -0.6987 -0.6987 0.5237 0.5237 0.5975 0.5975 0.9764 0.9764 1.7368 1.7368 2.1613 2.1613 2.2400 2.2400 2.7525 2.7525 8.6299 8.6299 9.9598 9.9598 11.2630 11.2630 11.4760 11.4760 k = 0.0000 0.3256-0.0000 ( 4532 PWs) bands (ev): -46.4932 -46.4932 -18.5431 -18.5431 -18.3762 -18.3762 -18.3454 -18.3454 -9.3985 -9.3985 -2.3920 -2.3920 -0.6888 -0.6888 0.5212 0.5212 0.5969 0.5969 0.9418 0.9418 1.7372 1.7372 2.1653 2.1653 2.2420 2.2420 2.7946 2.7946 8.5009 8.5009 9.9192 9.9192 11.3283 11.3283 11.4891 11.4891 k = 0.0000 0.3372-0.0000 ( 4536 PWs) bands (ev): -46.4932 -46.4932 -18.5434 -18.5434 -18.3766 -18.3766 -18.3455 -18.3455 -9.3921 -9.3921 -2.3897 -2.3897 -0.6790 -0.6790 0.5184 0.5184 0.5965 0.5965 0.9081 0.9081 1.7376 1.7376 2.1686 2.1686 2.2436 2.2436 2.8387 2.8387 8.3757 8.3757 9.8810 9.8810 11.3870 11.3870 11.5075 11.5075 k = 0.0000 0.3488-0.0000 ( 4532 PWs) bands (ev): -46.4932 -46.4932 -18.5436 -18.5436 -18.3769 -18.3769 -18.3457 -18.3457 -9.3860 -9.3860 -2.3875 -2.3875 -0.6695 -0.6695 0.5155 0.5155 0.5962 0.5962 0.8756 0.8756 1.7379 1.7379 2.1715 2.1715 2.2448 2.2448 2.8843 2.8843 8.2547 8.2547 9.8452 9.8452 11.4326 11.4326 11.5373 11.5373 k = 0.0000 0.3605-0.0000 ( 4540 PWs) bands (ev): -46.4932 -46.4932 -18.5438 -18.5438 -18.3773 -18.3773 -18.3458 -18.3458 -9.3801 -9.3801 -2.3855 -2.3855 -0.6604 -0.6604 0.5126 0.5126 0.5962 0.5962 0.8443 0.8443 1.7382 1.7382 2.1739 2.1739 2.2457 2.2457 2.9306 2.9306 8.1387 8.1387 9.8120 9.8120 11.4608 11.4608 11.5822 11.5822 k = 0.0000 0.3721-0.0000 ( 4540 PWs) bands (ev): -46.4932 -46.4932 -18.5440 -18.5440 -18.3776 -18.3776 -18.3459 -18.3459 -9.3746 -9.3746 -2.3835 -2.3835 -0.6517 -0.6517 0.5098 0.5098 0.5962 0.5962 0.8145 0.8145 1.7385 1.7385 2.1760 2.1760 2.2464 2.2464 2.9770 2.9770 8.0283 8.0283 9.7812 9.7812 11.4774 11.4774 11.6359 11.6359 k = 0.0000 0.3837-0.0000 ( 4540 PWs) bands (ev): -46.4932 -46.4932 -18.5442 -18.5442 -18.3779 -18.3779 -18.3461 -18.3461 -9.3695 -9.3695 -2.3817 -2.3817 -0.6434 -0.6434 0.5073 0.5073 0.5964 0.5964 0.7863 0.7863 1.7388 1.7388 2.1777 2.1777 2.2468 2.2468 3.0228 3.0228 7.9240 7.9240 9.7530 9.7530 11.4887 11.4887 11.6919 11.6919 k = 0.0000 0.3953-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5444 -18.5444 -18.3781 -18.3781 -18.3461 -18.3461 -9.3647 -9.3647 -2.3800 -2.3800 -0.6357 -0.6357 0.5050 0.5050 0.5967 0.5967 0.7599 0.7599 1.7390 1.7390 2.1793 2.1793 2.2470 2.2470 3.0674 3.0674 7.8267 7.8267 9.7274 9.7274 11.4972 11.4972 11.7467 11.7467 k = 0.0000 0.4070-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5445 -18.5445 -18.3784 -18.3784 -18.3462 -18.3462 -9.3604 -9.3604 -2.3785 -2.3785 -0.6286 -0.6286 0.5032 0.5032 0.5970 0.5970 0.7354 0.7354 1.7392 1.7392 2.1805 2.1805 2.2471 2.2471 3.1100 3.1100 7.7370 7.7370 9.7045 9.7045 11.5042 11.5042 11.7988 11.7988 k = 0.0000 0.4186-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5447 -18.5447 -18.3786 -18.3786 -18.3463 -18.3463 -9.3565 -9.3565 -2.3771 -2.3771 -0.6222 -0.6222 0.5019 0.5019 0.5975 0.5975 0.7130 0.7130 1.7393 1.7393 2.1816 2.1816 2.2471 2.2471 3.1498 3.1498 7.6556 7.6556 9.6841 9.6841 11.5101 11.5101 11.8470 11.8470 k = 0.0000 0.4302-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5448 -18.5448 -18.3788 -18.3788 -18.3464 -18.3464 -9.3531 -9.3531 -2.3759 -2.3759 -0.6165 -0.6165 0.5010 0.5010 0.5980 0.5980 0.6927 0.6927 1.7394 1.7394 2.1825 2.1825 2.2471 2.2471 3.1862 3.1862 7.5832 7.5832 9.6665 9.6665 11.5150 11.5150 11.8906 11.8906 k = 0.0000 0.4419-0.0000 ( 4548 PWs) bands (ev): -46.4931 -46.4931 -18.5450 -18.5450 -18.3791 -18.3791 -18.3465 -18.3465 -9.3502 -9.3502 -2.3748 -2.3748 -0.6116 -0.6116 0.5006 0.5006 0.5987 0.5987 0.6747 0.6747 1.7395 1.7395 2.1833 2.1833 2.2470 2.2470 3.2184 3.2184 7.5204 7.5204 9.6515 9.6515 11.5191 11.5191 11.9287 11.9287 k = 0.0000 0.4535-0.0000 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5450 -18.5450 -18.3792 -18.3792 -18.3464 -18.3464 -9.3478 -9.3478 -2.3740 -2.3740 -0.6075 -0.6075 0.5006 0.5006 0.5995 0.5995 0.6592 0.6592 1.7396 1.7396 2.1838 2.1838 2.2469 2.2469 3.2458 3.2458 7.4681 7.4681 9.6392 9.6392 11.5225 11.5225 11.9609 11.9609 k = 0.0000 0.4651-0.0000 ( 4538 PWs) bands (ev): -46.4931 -46.4931 -18.5451 -18.5451 -18.3793 -18.3793 -18.3465 -18.3465 -9.3459 -9.3459 -2.3733 -2.3733 -0.6043 -0.6043 0.5009 0.5009 0.6006 0.6006 0.6463 0.6463 1.7396 1.7396 2.1843 2.1843 2.2468 2.2468 3.2678 3.2678 7.4267 7.4267 9.6296 9.6296 11.5251 11.5251 11.9865 11.9865 k = 0.0000 0.4767-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5451 -18.5451 -18.3794 -18.3794 -18.3465 -18.3465 -9.3445 -9.3445 -2.3728 -2.3728 -0.6020 -0.6020 0.5013 0.5013 0.6018 0.6018 0.6364 0.6364 1.7397 1.7397 2.1846 2.1846 2.2468 2.2468 3.2839 3.2839 7.3968 7.3968 9.6228 9.6228 11.5269 11.5269 12.0052 12.0052 k = 0.0000 0.4884-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3437 -9.3437 -2.3725 -2.3725 -0.6006 -0.6006 0.5017 0.5017 0.6030 0.6030 0.6299 0.6299 1.7397 1.7397 2.1848 2.1848 2.2467 2.2467 3.2937 3.2937 7.3786 7.3786 9.6187 9.6187 11.5280 11.5280 12.0165 12.0165 k = 0.0000 0.5000-0.0000 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3434 -9.3434 -2.3724 -2.3724 -0.6001 -0.6001 0.5018 0.5018 0.6035 0.6035 0.6276 0.6276 1.7397 1.7397 2.1849 2.1849 2.2467 2.2467 3.2970 3.2970 7.3726 7.3726 9.6173 9.6173 11.5284 11.5284 12.0203 12.0203 k = 0.0000 0.5000-0.0000 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3434 -9.3434 -2.3724 -2.3724 -0.6001 -0.6001 0.5018 0.5018 0.6035 0.6035 0.6276 0.6276 1.7397 1.7397 2.1849 2.1849 2.2467 2.2467 3.2970 3.2970 7.3726 7.3726 9.6173 9.6173 11.5284 11.5284 12.0203 12.0203 k = 0.0116 0.5000-0.0000 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3433 -9.3433 -2.3723 -2.3723 -0.5998 -0.5998 0.5018 0.5018 0.6034 0.6034 0.6283 0.6283 1.7396 1.7396 2.1813 2.1813 2.2491 2.2491 3.2975 3.2975 7.3742 7.3742 9.6178 9.6178 11.5253 11.5253 12.0228 12.0228 k = 0.0233 0.5000-0.0000 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3466 -18.3466 -9.3430 -9.3430 -2.3722 -2.3722 -0.5989 -0.5989 0.5018 0.5018 0.6031 0.6031 0.6306 0.6306 1.7394 1.7394 2.1717 2.1717 2.2550 2.2550 3.2989 3.2989 7.3789 7.3789 9.6192 9.6192 11.5163 11.5163 12.0302 12.0302 k = 0.0349 0.5000-0.0000 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3467 -18.3467 -9.3424 -9.3424 -2.3719 -2.3719 -0.5974 -0.5974 0.5018 0.5018 0.6028 0.6028 0.6342 0.6342 1.7389 1.7389 2.1581 2.1581 2.2626 2.2626 3.3012 3.3012 7.3869 7.3869 9.6216 9.6216 11.5013 11.5013 12.0424 12.0424 k = 0.0465 0.5000-0.0000 ( 4540 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3793 -18.3793 -18.3469 -18.3469 -9.3416 -9.3416 -2.3714 -2.3714 -0.5954 -0.5954 0.5019 0.5019 0.6026 0.6026 0.6389 0.6389 1.7382 1.7382 2.1417 2.1417 2.2708 2.2708 3.3044 3.3044 7.3979 7.3979 9.6249 9.6249 11.4807 11.4807 12.0593 12.0593 k = 0.0581 0.5000-0.0000 ( 4540 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3793 -18.3793 -18.3470 -18.3470 -9.3406 -9.3406 -2.3709 -2.3709 -0.5927 -0.5927 0.5019 0.5019 0.6025 0.6025 0.6446 0.6446 1.7371 1.7371 2.1231 2.1231 2.2792 2.2792 3.3086 3.3086 7.4121 7.4121 9.6291 9.6291 11.4548 11.4548 12.0803 12.0803 k = 0.0698 0.5000-0.0000 ( 4538 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3792 -18.3792 -18.3472 -18.3472 -9.3393 -9.3393 -2.3702 -2.3702 -0.5895 -0.5895 0.5020 0.5020 0.6027 0.6027 0.6513 0.6513 1.7357 1.7357 2.1026 2.1026 2.2877 2.2877 3.3138 3.3138 7.4294 7.4294 9.6343 9.6343 11.4240 11.4240 12.1049 12.1049 k = 0.0814 0.5000-0.0000 ( 4534 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3791 -18.3791 -18.3475 -18.3475 -9.3379 -9.3379 -2.3694 -2.3694 -0.5857 -0.5857 0.5021 0.5021 0.6029 0.6029 0.6589 0.6589 1.7338 1.7338 2.0805 2.0805 2.2962 2.2962 3.3198 3.3198 7.4496 7.4496 9.6403 9.6403 11.3887 11.3887 12.1322 12.1322 k = 0.0930 0.5000-0.0000 ( 4534 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3790 -18.3790 -18.3478 -18.3478 -9.3363 -9.3363 -2.3685 -2.3685 -0.5813 -0.5813 0.5023 0.5023 0.6034 0.6034 0.6673 0.6673 1.7313 1.7313 2.0569 2.0569 2.3048 2.3048 3.3269 3.3269 7.4729 7.4729 9.6473 9.6473 11.3495 11.3495 12.1608 12.1608 k = 0.1047 0.5000-0.0000 ( 4530 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3789 -18.3789 -18.3481 -18.3481 -9.3344 -9.3344 -2.3675 -2.3675 -0.5764 -0.5764 0.5025 0.5025 0.6039 0.6039 0.6765 0.6765 1.7280 1.7280 2.0322 2.0322 2.3137 2.3137 3.3350 3.3350 7.4990 7.4990 9.6552 9.6552 11.3068 11.3068 12.1884 12.1884 k = 0.1163 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3788 -18.3788 -18.3484 -18.3484 -9.3324 -9.3324 -2.3664 -2.3664 -0.5710 -0.5710 0.5028 0.5028 0.6044 0.6044 0.6864 0.6864 1.7237 1.7237 2.0066 2.0066 2.3230 2.3230 3.3442 3.3442 7.5279 7.5279 9.6639 9.6639 11.2612 11.2612 12.2114 12.2114 k = 0.1279 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4929 -46.4929 -18.5454 -18.5454 -18.3786 -18.3786 -18.3488 -18.3488 -9.3302 -9.3302 -2.3652 -2.3652 -0.5651 -0.5651 0.5031 0.5031 0.6049 0.6049 0.6971 0.6971 1.7182 1.7182 1.9803 1.9803 2.3329 2.3329 3.3544 3.3544 7.5596 7.5596 9.6734 9.6734 11.2131 11.2131 12.2240 12.2240 k = 0.1395 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4929 -46.4929 -18.5454 -18.5454 -18.3785 -18.3785 -18.3492 -18.3492 -9.3278 -9.3278 -2.3639 -2.3639 -0.5587 -0.5587 0.5035 0.5035 0.6053 0.6053 0.7085 0.7085 1.7112 1.7112 1.9539 1.9539 2.3433 2.3433 3.3658 3.3658 7.5940 7.5940 9.6838 9.6838 11.1630 11.1630 12.2186 12.2186 k = 0.1512 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4929 -46.4929 -18.5454 -18.5454 -18.3784 -18.3784 -18.3496 -18.3496 -9.3253 -9.3253 -2.3626 -2.3626 -0.5518 -0.5518 0.5039 0.5039 0.6055 0.6055 0.7205 0.7205 1.7023 1.7023 1.9277 1.9277 2.3545 2.3545 3.3783 3.3783 7.6310 7.6310 9.6949 9.6949 11.1114 11.1114 12.1876 12.1876 k = 0.1628 0.5000-0.0000 ( 4514 PWs) bands (ev): -46.4929 -46.4929 -18.5455 -18.5455 -18.3782 -18.3782 -18.3500 -18.3500 -9.3226 -9.3226 -2.3611 -2.3611 -0.5445 -0.5445 0.5044 0.5044 0.6056 0.6056 0.7330 0.7330 1.6911 1.6911 1.9023 1.9023 2.3665 2.3665 3.3922 3.3922 7.6704 7.6704 9.7068 9.7068 11.0587 11.0587 12.1288 12.1288 k = 0.1744 0.5000-0.0000 ( 4510 PWs) bands (ev): -46.4928 -46.4928 -18.5455 -18.5455 -18.3780 -18.3780 -18.3505 -18.3505 -9.3198 -9.3198 -2.3596 -2.3596 -0.5367 -0.5367 0.5049 0.5049 0.6053 0.6053 0.7462 0.7462 1.6773 1.6773 1.8781 1.8781 2.3792 2.3792 3.4073 3.4073 7.7123 7.7123 9.7194 9.7194 11.0051 11.0051 12.0464 12.0464 k = 0.1860 0.5000-0.0000 ( 4518 PWs) bands (ev): -46.4928 -46.4928 -18.5456 -18.5456 -18.3779 -18.3779 -18.3510 -18.3510 -9.3169 -9.3169 -2.3581 -2.3581 -0.5286 -0.5286 0.5055 0.5055 0.6048 0.6048 0.7599 0.7599 1.6604 1.6604 1.8557 1.8557 2.3928 2.3928 3.4239 3.4239 7.7564 7.7564 9.7327 9.7327 10.9512 10.9512 11.9467 11.9467 k = 0.1977 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4928 -46.4928 -18.5457 -18.5457 -18.3778 -18.3778 -18.3515 -18.3515 -9.3139 -9.3139 -2.3564 -2.3564 -0.5201 -0.5201 0.5060 0.5060 0.6039 0.6039 0.7740 0.7740 1.6404 1.6404 1.8355 1.8355 2.4071 2.4071 3.4420 3.4420 7.8028 7.8028 9.7466 9.7466 10.8971 10.8971 11.8352 11.8352 k = 0.2093 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4928 -46.4928 -18.5458 -18.5458 -18.3776 -18.3776 -18.3520 -18.3520 -9.3108 -9.3108 -2.3548 -2.3548 -0.5112 -0.5112 0.5066 0.5066 0.6027 0.6027 0.7885 0.7885 1.6174 1.6174 1.8173 1.8173 2.4222 2.4222 3.4616 3.4616 7.8512 7.8512 9.7610 9.7610 10.8431 10.8431 11.7157 11.7157 k = 0.2209 0.5000-0.0000 ( 4518 PWs) bands (ev): -46.4928 -46.4928 -18.5458 -18.5458 -18.3775 -18.3775 -18.3524 -18.3524 -9.3077 -9.3077 -2.3531 -2.3531 -0.5021 -0.5021 0.5072 0.5072 0.6011 0.6011 0.8034 0.8034 1.5916 1.5916 1.8012 1.8012 2.4378 2.4378 3.4829 3.4829 7.9015 7.9015 9.7760 9.7760 10.7894 10.7894 11.5907 11.5907 k = 0.2326 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4927 -46.4927 -18.5459 -18.5459 -18.3774 -18.3774 -18.3529 -18.3529 -9.3045 -9.3045 -2.3513 -2.3513 -0.4927 -0.4927 0.5077 0.5077 0.5992 0.5992 0.8185 0.8185 1.5637 1.5637 1.7867 1.7867 2.4540 2.4540 3.5059 3.5059 7.9537 7.9537 9.7913 9.7913 10.7361 10.7361 11.4624 11.4624 k = 0.2442 0.5000-0.0000 ( 4518 PWs) bands (ev): -46.4927 -46.4927 -18.5459 -18.5459 -18.3772 -18.3772 -18.3534 -18.3534 -9.3013 -9.3013 -2.3496 -2.3496 -0.4831 -0.4831 0.5083 0.5083 0.5968 0.5968 0.8339 0.8339 1.5342 1.5342 1.7735 1.7735 2.4705 2.4705 3.5306 3.5306 8.0076 8.0076 9.8071 9.8071 10.6834 10.6834 11.3323 11.3323 k = 0.2558 0.5000-0.0000 ( 4518 PWs) bands (ev): -46.4927 -46.4927 -18.5460 -18.5460 -18.3771 -18.3771 -18.3539 -18.3539 -9.2981 -9.2981 -2.3478 -2.3478 -0.4733 -0.4733 0.5088 0.5088 0.5941 0.5941 0.8495 0.8495 1.5036 1.5036 1.7613 1.7613 2.4872 2.4872 3.5570 3.5570 8.0631 8.0631 9.8230 9.8230 10.6312 10.6312 11.2017 11.2017 k = 0.2674 0.5000-0.0000 ( 4514 PWs) bands (ev): -46.4927 -46.4927 -18.5461 -18.5461 -18.3770 -18.3770 -18.3543 -18.3543 -9.2948 -9.2948 -2.3461 -2.3461 -0.4634 -0.4634 0.5093 0.5093 0.5911 0.5911 0.8651 0.8651 1.4724 1.4724 1.7498 1.7498 2.5040 2.5040 3.5852 3.5852 8.1200 8.1200 9.8391 9.8391 10.5793 10.5793 11.0720 11.0720 k = 0.2791 0.5000-0.0000 ( 4518 PWs) bands (ev): -46.4926 -46.4926 -18.5462 -18.5462 -18.3769 -18.3769 -18.3547 -18.3547 -9.2916 -9.2916 -2.3443 -2.3443 -0.4534 -0.4534 0.5097 0.5097 0.5878 0.5878 0.8808 0.8808 1.4410 1.4410 1.7389 1.7389 2.5207 2.5207 3.6151 3.6151 8.1783 8.1783 9.8552 9.8552 10.5273 10.5273 10.9449 10.9449 k = 0.2907 0.5000-0.0000 ( 4538 PWs) bands (ev): -46.4926 -46.4926 -18.5463 -18.5463 -18.3768 -18.3768 -18.3553 -18.3553 -9.2884 -9.2884 -2.3426 -2.3426 -0.4434 -0.4434 0.5101 0.5101 0.5842 0.5842 0.8963 0.8963 1.4097 1.4097 1.7283 1.7283 2.5371 2.5371 3.6466 3.6466 8.2376 8.2376 9.8712 9.8712 10.4744 10.4744 10.8221 10.8221 k = 0.3023 0.5000-0.0000 ( 4540 PWs) bands (ev): -46.4926 -46.4926 -18.5464 -18.5464 -18.3768 -18.3768 -18.3557 -18.3557 -9.2853 -9.2853 -2.3409 -2.3409 -0.4334 -0.4334 0.5104 0.5104 0.5804 0.5804 0.9118 0.9118 1.3789 1.3789 1.7181 1.7181 2.5531 2.5531 3.6796 3.6796 8.2978 8.2978 9.8868 9.8868 10.4187 10.4187 10.7065 10.7065 k = 0.3140 0.5000-0.0000 ( 4548 PWs) bands (ev): -46.4926 -46.4926 -18.5466 -18.5466 -18.3767 -18.3767 -18.3561 -18.3561 -9.2822 -9.2822 -2.3393 -2.3393 -0.4234 -0.4234 0.5107 0.5107 0.5765 0.5765 0.9270 0.9270 1.3488 1.3488 1.7082 1.7082 2.5686 2.5686 3.7140 3.7140 8.3587 8.3587 9.9019 9.9019 10.3573 10.3573 10.6021 10.6021 k = 0.3256 0.5000-0.0000 ( 4532 PWs) bands (ev): -46.4926 -46.4926 -18.5466 -18.5466 -18.3766 -18.3766 -18.3564 -18.3564 -9.2793 -9.2793 -2.3377 -2.3377 -0.4136 -0.4136 0.5108 0.5108 0.5725 0.5725 0.9420 0.9420 1.3197 1.3197 1.6985 1.6985 2.5833 2.5833 3.7494 3.7494 8.4201 8.4201 9.9159 9.9159 10.2867 10.2867 10.5137 10.5137 k = 0.3372 0.5000-0.0000 ( 4540 PWs) bands (ev): -46.4925 -46.4925 -18.5467 -18.5467 -18.3766 -18.3766 -18.3567 -18.3567 -9.2764 -9.2764 -2.3361 -2.3361 -0.4040 -0.4040 0.5108 0.5108 0.5684 0.5684 0.9565 0.9565 1.2916 1.2916 1.6892 1.6892 2.5974 2.5974 3.7857 3.7857 8.4815 8.4815 9.9280 9.9280 10.2064 10.2064 10.4434 10.4434 k = 0.3488 0.5000-0.0000 ( 4536 PWs) bands (ev): -46.4925 -46.4925 -18.5468 -18.5468 -18.3766 -18.3766 -18.3570 -18.3570 -9.2737 -9.2737 -2.3346 -2.3346 -0.3947 -0.3947 0.5106 0.5106 0.5645 0.5645 0.9705 0.9705 1.2648 1.2648 1.6801 1.6801 2.6105 2.6105 3.8225 3.8225 8.5426 8.5426 9.9360 9.9360 10.1223 10.1223 10.3885 10.3885 k = 0.3605 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4925 -46.4925 -18.5468 -18.5468 -18.3765 -18.3765 -18.3572 -18.3572 -9.2711 -9.2711 -2.3332 -2.3332 -0.3856 -0.3856 0.5104 0.5104 0.5606 0.5606 0.9839 0.9839 1.2395 1.2395 1.6714 1.6714 2.6228 2.6228 3.8594 3.8594 8.6028 8.6028 9.9313 9.9313 10.0481 10.0481 10.3445 10.3445 k = 0.3721 0.5000-0.0000 ( 4518 PWs) bands (ev): -46.4925 -46.4925 -18.5469 -18.5469 -18.3765 -18.3765 -18.3575 -18.3575 -9.2686 -9.2686 -2.3318 -2.3318 -0.3770 -0.3770 0.5099 0.5099 0.5569 0.5569 0.9967 0.9967 1.2157 1.2157 1.6631 1.6631 2.6341 2.6341 3.8961 3.8961 8.6616 8.6616 9.8918 9.8918 10.0107 10.0107 10.3081 10.3081 k = 0.3837 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5470 -18.5470 -18.3765 -18.3765 -18.3577 -18.3577 -9.2663 -9.2663 -2.3306 -2.3306 -0.3688 -0.3688 0.5093 0.5093 0.5536 0.5536 1.0086 1.0086 1.1938 1.1938 1.6553 1.6553 2.6444 2.6444 3.9320 3.9320 8.7178 8.7178 9.8249 9.8249 10.0055 10.0055 10.2774 10.2774 k = 0.3953 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5470 -18.5470 -18.3765 -18.3765 -18.3579 -18.3579 -9.2642 -9.2642 -2.3294 -2.3294 -0.3612 -0.3612 0.5085 0.5085 0.5505 0.5505 1.0195 1.0195 1.1738 1.1738 1.6479 1.6479 2.6538 2.6538 3.9667 3.9667 8.7705 8.7705 9.7569 9.7569 10.0086 10.0086 10.2513 10.2513 k = 0.4070 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4924 -46.4924 -18.5471 -18.5471 -18.3765 -18.3765 -18.3581 -18.3581 -9.2623 -9.2623 -2.3284 -2.3284 -0.3541 -0.3541 0.5076 0.5076 0.5478 0.5478 1.0293 1.0293 1.1559 1.1559 1.6411 1.6411 2.6621 2.6621 3.9997 3.9997 8.8181 8.8181 9.6973 9.6973 10.0127 10.0127 10.2291 10.2291 k = 0.4186 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3765 -18.3765 -18.3582 -18.3582 -9.2606 -9.2606 -2.3274 -2.3274 -0.3477 -0.3477 0.5066 0.5066 0.5455 0.5455 1.0378 1.0378 1.1402 1.1402 1.6349 1.6349 2.6694 2.6694 4.0304 4.0304 8.8590 8.8590 9.6500 9.6500 10.0161 10.0161 10.2102 10.2102 k = 0.4302 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3765 -18.3765 -18.3584 -18.3584 -9.2590 -9.2590 -2.3266 -2.3266 -0.3420 -0.3420 0.5055 0.5055 0.5436 0.5436 1.0448 1.0448 1.1271 1.1271 1.6293 1.6293 2.6757 2.6757 4.0583 4.0583 8.8916 8.8916 9.6172 9.6172 10.0180 10.0180 10.1936 10.1936 k = 0.4419 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3766 -18.3766 -18.3585 -18.3585 -9.2577 -9.2577 -2.3259 -2.3259 -0.3370 -0.3370 0.5044 0.5044 0.5420 0.5420 1.0500 1.0500 1.1168 1.1168 1.6245 1.6245 2.6811 2.6811 4.0829 4.0829 8.9149 8.9149 9.6000 9.6000 10.0187 10.0187 10.1779 10.1779 k = 0.4535 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3766 -18.3766 -18.3585 -18.3585 -9.2567 -9.2567 -2.3253 -2.3253 -0.3329 -0.3329 0.5034 0.5034 0.5408 0.5408 1.0533 1.0533 1.1093 1.1093 1.6205 1.6205 2.6854 2.6854 4.1038 4.1038 8.9293 8.9293 9.5969 9.5969 10.0183 10.0183 10.1613 10.1613 k = 0.4651 0.5000-0.0000 ( 4522 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2558 -9.2558 -2.3248 -2.3248 -0.3297 -0.3297 0.5025 0.5025 0.5399 0.5399 1.0547 1.0547 1.1047 1.1047 1.6173 1.6173 2.6888 2.6888 4.1205 4.1205 8.9366 8.9366 9.6047 9.6047 10.0172 10.0172 10.1421 10.1421 k = 0.4767 0.5000-0.0000 ( 4520 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2552 -9.2552 -2.3245 -2.3245 -0.3274 -0.3274 0.5018 0.5018 0.5393 0.5393 1.0549 1.0549 1.1022 1.1022 1.6150 1.6150 2.6912 2.6912 4.1327 4.1327 8.9392 8.9392 9.6178 9.6178 10.0160 10.0160 10.1212 10.1212 k = 0.4884 0.5000-0.0000 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3766 -18.3766 -18.3586 -18.3586 -9.2549 -9.2549 -2.3243 -2.3243 -0.3259 -0.3259 0.5014 0.5014 0.5389 0.5389 1.0546 1.0546 1.1011 1.1011 1.6137 1.6137 2.6926 2.6926 4.1401 4.1401 8.9397 8.9397 9.6296 9.6296 10.0150 10.0150 10.1040 10.1040 k = 0.5000 0.5000-0.0000 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3766 -18.3766 -18.3587 -18.3587 -9.2547 -9.2547 -2.3242 -2.3242 -0.3255 -0.3255 0.5013 0.5013 0.5388 0.5388 1.0544 1.0544 1.1008 1.1008 1.6132 1.6132 2.6931 2.6931 4.1426 4.1426 8.9396 8.9396 9.6344 9.6344 10.0146 10.0146 10.0973 10.0973 k = 0.5000 0.5000-0.0000 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3766 -18.3766 -18.3587 -18.3587 -9.2547 -9.2547 -2.3242 -2.3242 -0.3255 -0.3255 0.5013 0.5013 0.5388 0.5388 1.0544 1.0544 1.1008 1.1008 1.6132 1.6132 2.6931 2.6931 4.1426 4.1426 8.9396 8.9396 9.6344 9.6344 10.0146 10.0146 10.0973 10.0973 k = 0.4917 0.4917-0.0000 ( 4527 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3766 -18.3766 -18.3586 -18.3586 -9.2549 -9.2549 -2.3243 -2.3243 -0.3260 -0.3260 0.5014 0.5014 0.5389 0.5389 1.0546 1.0546 1.1011 1.1011 1.6137 1.6137 2.6926 2.6926 4.1400 4.1400 8.9397 8.9397 9.6294 9.6294 10.0150 10.0150 10.1042 10.1042 k = 0.4833 0.4833-0.0000 ( 4519 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2552 -9.2552 -2.3245 -2.3245 -0.3274 -0.3274 0.5018 0.5018 0.5393 0.5393 1.0552 1.0552 1.1020 1.1020 1.6151 1.6151 2.6911 2.6911 4.1324 4.1324 8.9399 8.9399 9.6163 9.6163 10.0161 10.0161 10.1219 10.1219 k = 0.4750 0.4750-0.0000 ( 4521 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2559 -9.2559 -2.3249 -2.3249 -0.3298 -0.3298 0.5026 0.5026 0.5399 0.5399 1.0561 1.0561 1.1035 1.1035 1.6175 1.6175 2.6887 2.6887 4.1196 4.1196 8.9401 8.9401 9.5990 9.5990 10.0175 10.0175 10.1430 10.1430 k = 0.4667 0.4667-0.0000 ( 4523 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3766 -18.3766 -18.3585 -18.3585 -9.2567 -9.2567 -2.3253 -2.3253 -0.3332 -0.3332 0.5035 0.5035 0.5408 0.5408 1.0571 1.0571 1.1058 1.1058 1.6208 1.6208 2.6853 2.6853 4.1020 4.1020 8.9401 8.9401 9.5817 9.5817 10.0194 10.0194 10.1613 10.1613 k = 0.4583 0.4583-0.0000 ( 4519 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3765 -18.3765 -18.3584 -18.3584 -9.2579 -9.2579 -2.3260 -2.3260 -0.3375 -0.3375 0.5047 0.5047 0.5419 0.5419 1.0582 1.0582 1.1091 1.1091 1.6249 1.6249 2.6811 2.6811 4.0795 4.0795 8.9397 8.9397 9.5676 9.5676 10.0216 10.0216 10.1754 10.1754 k = 0.4500 0.4500-0.0000 ( 4515 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3765 -18.3765 -18.3583 -18.3583 -9.2593 -9.2593 -2.3267 -2.3267 -0.3427 -0.3427 0.5061 0.5061 0.5433 0.5433 1.0592 1.0592 1.1135 1.1135 1.6299 1.6299 2.6759 2.6759 4.0524 4.0524 8.9388 8.9388 9.5589 9.5589 10.0241 10.0241 10.1864 10.1864 k = 0.4417 0.4417-0.0000 ( 4507 PWs) bands (ev): -46.4924 -46.4924 -18.5471 -18.5471 -18.3764 -18.3764 -18.3582 -18.3582 -9.2609 -9.2609 -2.3276 -2.3276 -0.3487 -0.3487 0.5077 0.5077 0.5450 0.5450 1.0601 1.0601 1.1192 1.1192 1.6357 1.6357 2.6700 2.6700 4.0209 4.0209 8.9374 8.9374 9.5569 9.5569 10.0269 10.0269 10.1959 10.1959 k = 0.4333 0.4333-0.0000 ( 4517 PWs) bands (ev): -46.4924 -46.4924 -18.5470 -18.5470 -18.3764 -18.3764 -18.3581 -18.3581 -9.2628 -9.2628 -2.3286 -2.3286 -0.3557 -0.3557 0.5094 0.5094 0.5470 0.5470 1.0609 1.0609 1.1262 1.1262 1.6422 1.6422 2.6633 2.6633 3.9851 3.9851 8.9356 8.9356 9.5623 9.5623 10.0301 10.0301 10.2049 10.2049 k = 0.4250 0.4250-0.0000 ( 4529 PWs) bands (ev): -46.4924 -46.4924 -18.5470 -18.5470 -18.3764 -18.3764 -18.3579 -18.3579 -9.2650 -9.2650 -2.3298 -2.3298 -0.3634 -0.3634 0.5112 0.5112 0.5492 0.5492 1.0615 1.0615 1.1345 1.1345 1.6494 1.6494 2.6559 2.6559 3.9454 3.9454 8.9339 8.9339 9.5753 9.5753 10.0335 10.0335 10.2141 10.2141 k = 0.4167 0.4167-0.0000 ( 4525 PWs) bands (ev): -46.4925 -46.4925 -18.5469 -18.5469 -18.3764 -18.3764 -18.3577 -18.3577 -9.2675 -9.2675 -2.3310 -2.3310 -0.3718 -0.3718 0.5130 0.5130 0.5518 0.5518 1.0622 1.0622 1.1440 1.1440 1.6572 1.6572 2.6478 2.6478 3.9020 3.9020 8.9326 8.9326 9.5956 9.5956 10.0372 10.0372 10.2239 10.2239 k = 0.4083 0.4083-0.0000 ( 4529 PWs) bands (ev): -46.4925 -46.4925 -18.5468 -18.5468 -18.3763 -18.3763 -18.3575 -18.3575 -9.2702 -9.2702 -2.3325 -2.3325 -0.3810 -0.3810 0.5149 0.5149 0.5546 0.5546 1.0630 1.0630 1.1548 1.1548 1.6656 1.6656 2.6392 2.6392 3.8553 3.8553 8.9323 8.9323 9.6229 9.6229 10.0413 10.0413 10.2346 10.2346 k = 0.4000 0.4000-0.0000 ( 4529 PWs) bands (ev): -46.4925 -46.4925 -18.5467 -18.5467 -18.3763 -18.3763 -18.3573 -18.3573 -9.2732 -9.2732 -2.3340 -2.3340 -0.3909 -0.3909 0.5168 0.5168 0.5577 0.5577 1.0639 1.0639 1.1668 1.1668 1.6744 1.6744 2.6302 2.6302 3.8054 3.8054 8.9334 8.9334 9.6566 9.6566 10.0456 10.0456 10.2465 10.2465 k = 0.3917 0.3917-0.0000 ( 4533 PWs) bands (ev): -46.4925 -46.4925 -18.5466 -18.5466 -18.3763 -18.3763 -18.3571 -18.3571 -9.2764 -9.2764 -2.3357 -2.3357 -0.4014 -0.4014 0.5186 0.5186 0.5610 0.5610 1.0652 1.0652 1.1799 1.1799 1.6837 1.6837 2.6207 2.6207 3.7528 3.7528 8.9366 8.9366 9.6963 9.6963 10.0504 10.0504 10.2595 10.2595 k = 0.3833 0.3833-0.0000 ( 4533 PWs) bands (ev): -46.4925 -46.4925 -18.5465 -18.5465 -18.3762 -18.3762 -18.3568 -18.3568 -9.2800 -9.2800 -2.3374 -2.3374 -0.4124 -0.4124 0.5205 0.5205 0.5645 0.5645 1.0670 1.0670 1.1940 1.1940 1.6933 1.6933 2.6110 2.6110 3.6977 3.6977 8.9420 8.9420 9.7414 9.7414 10.0557 10.0557 10.2739 10.2739 k = 0.3750 0.3750-0.0000 ( 4539 PWs) bands (ev): -46.4926 -46.4926 -18.5464 -18.5464 -18.3762 -18.3762 -18.3566 -18.3566 -9.2838 -9.2838 -2.3394 -2.3394 -0.4241 -0.4241 0.5222 0.5222 0.5682 0.5682 1.0692 1.0692 1.2091 1.2091 1.7032 1.7032 2.6010 2.6010 3.6405 3.6405 8.9501 8.9501 9.7914 9.7914 10.0616 10.0616 10.2896 10.2896 k = 0.3667 0.3667-0.0000 ( 4531 PWs) bands (ev): -46.4926 -46.4926 -18.5463 -18.5463 -18.3761 -18.3761 -18.3562 -18.3562 -9.2879 -9.2879 -2.3414 -2.3414 -0.4361 -0.4361 0.5240 0.5240 0.5720 0.5720 1.0721 1.0721 1.2251 1.2251 1.7134 1.7134 2.5909 2.5909 3.5814 3.5814 8.9612 8.9612 9.8458 9.8458 10.0682 10.0682 10.3068 10.3068 k = 0.3583 0.3583-0.0000 ( 4531 PWs) bands (ev): -46.4926 -46.4926 -18.5461 -18.5461 -18.3760 -18.3760 -18.3559 -18.3559 -9.2923 -9.2923 -2.3435 -2.3435 -0.4487 -0.4487 0.5257 0.5257 0.5760 0.5760 1.0756 1.0756 1.2421 1.2421 1.7237 1.7237 2.5808 2.5808 3.5209 3.5209 8.9752 8.9752 9.9040 9.9040 10.0757 10.0757 10.3255 10.3255 k = 0.3500 0.3500-0.0000 ( 4523 PWs) bands (ev): -46.4926 -46.4926 -18.5459 -18.5459 -18.3759 -18.3759 -18.3555 -18.3555 -9.2970 -9.2970 -2.3457 -2.3457 -0.4616 -0.4616 0.5274 0.5274 0.5799 0.5799 1.0798 1.0798 1.2598 1.2598 1.7341 1.7341 2.5707 2.5707 3.4591 3.4591 8.9925 8.9925 9.9652 9.9652 10.0847 10.0847 10.3457 10.3457 k = 0.3417 0.3417-0.0000 ( 4527 PWs) bands (ev): -46.4927 -46.4927 -18.5458 -18.5458 -18.3758 -18.3758 -18.3552 -18.3552 -9.3020 -9.3020 -2.3481 -2.3481 -0.4749 -0.4749 0.5290 0.5290 0.5838 0.5838 1.0848 1.0848 1.2783 1.2783 1.7446 1.7446 2.5607 2.5607 3.3964 3.3964 9.0130 9.0130 10.0274 10.0274 10.0967 10.0967 10.3676 10.3676 k = 0.3333 0.3333-0.0000 ( 4519 PWs) bands (ev): -46.4927 -46.4927 -18.5456 -18.5456 -18.3757 -18.3757 -18.3548 -18.3548 -9.3072 -9.3072 -2.3505 -2.3505 -0.4885 -0.4885 0.5306 0.5306 0.5877 0.5877 1.0906 1.0906 1.2976 1.2976 1.7551 1.7551 2.5510 2.5510 3.3331 3.3331 9.0368 9.0368 10.0792 10.0792 10.1227 10.1227 10.3913 10.3913 k = 0.3250 0.3250-0.0000 ( 4519 PWs) bands (ev): -46.4927 -46.4927 -18.5454 -18.5454 -18.3756 -18.3756 -18.3544 -18.3544 -9.3127 -9.3127 -2.3530 -2.3530 -0.5023 -0.5023 0.5322 0.5322 0.5915 0.5915 1.0973 1.0973 1.3175 1.3175 1.7656 1.7656 2.5415 2.5415 3.2694 3.2694 9.0639 9.0639 10.1025 10.1025 10.1802 10.1802 10.4174 10.4174 k = 0.3167 0.3167-0.0000 ( 4517 PWs) bands (ev): -46.4928 -46.4928 -18.5452 -18.5452 -18.3754 -18.3754 -18.3540 -18.3540 -9.3185 -9.3185 -2.3556 -2.3556 -0.5163 -0.5163 0.5337 0.5337 0.5952 0.5952 1.1048 1.1048 1.3380 1.3380 1.7759 1.7759 2.5324 2.5324 3.2057 3.2057 9.0943 9.0943 10.1170 10.1170 10.2483 10.2483 10.4466 10.4466 k = 0.3083 0.3083-0.0000 ( 4511 PWs) bands (ev): -46.4928 -46.4928 -18.5450 -18.5450 -18.3753 -18.3753 -18.3535 -18.3535 -9.3245 -9.3245 -2.3583 -2.3583 -0.5305 -0.5305 0.5352 0.5352 0.5987 0.5987 1.1133 1.1133 1.3590 1.3590 1.7862 1.7862 2.5238 2.5238 3.1422 3.1422 9.1279 9.1279 10.1309 10.1309 10.3172 10.3172 10.4807 10.4807 k = 0.3000 0.3000-0.0000 ( 4511 PWs) bands (ev): -46.4928 -46.4928 -18.5448 -18.5448 -18.3752 -18.3752 -18.3531 -18.3531 -9.3308 -9.3308 -2.3611 -2.3611 -0.5449 -0.5449 0.5366 0.5366 0.6021 0.6021 1.1226 1.1226 1.3804 1.3804 1.7963 1.7963 2.5156 2.5156 3.0791 3.0791 9.1648 9.1648 10.1455 10.1455 10.3820 10.3820 10.5227 10.5227 k = 0.2917 0.2917-0.0000 ( 4515 PWs) bands (ev): -46.4929 -46.4929 -18.5446 -18.5446 -18.3750 -18.3750 -18.3526 -18.3526 -9.3373 -9.3373 -2.3639 -2.3639 -0.5593 -0.5593 0.5380 0.5380 0.6052 0.6052 1.1328 1.1328 1.4023 1.4023 1.8063 1.8063 2.5079 2.5079 3.0167 3.0167 9.2048 9.2048 10.1611 10.1611 10.4381 10.4381 10.5766 10.5766 k = 0.2833 0.2833-0.0000 ( 4519 PWs) bands (ev): -46.4929 -46.4929 -18.5444 -18.5444 -18.3749 -18.3749 -18.3522 -18.3522 -9.3440 -9.3440 -2.3668 -2.3668 -0.5737 -0.5737 0.5393 0.5393 0.6081 0.6081 1.1438 1.1438 1.4244 1.4244 1.8161 1.8161 2.5009 2.5009 2.9553 2.9553 9.2479 9.2479 10.1780 10.1780 10.4843 10.4843 10.6435 10.6435 k = 0.2750 0.2750-0.0000 ( 4519 PWs) bands (ev): -46.4929 -46.4929 -18.5442 -18.5442 -18.3748 -18.3748 -18.3517 -18.3517 -9.3510 -9.3510 -2.3698 -2.3698 -0.5882 -0.5882 0.5404 0.5404 0.6107 0.6107 1.1556 1.1556 1.4467 1.4467 1.8257 1.8257 2.4944 2.4944 2.8950 2.8950 9.2941 9.2941 10.1962 10.1962 10.5234 10.5234 10.7199 10.7199 k = 0.2667 0.2667-0.0000 ( 4511 PWs) bands (ev): -46.4930 -46.4930 -18.5439 -18.5439 -18.3746 -18.3746 -18.3511 -18.3511 -9.3581 -9.3581 -2.3728 -2.3728 -0.6026 -0.6026 0.5415 0.5415 0.6131 0.6131 1.1682 1.1682 1.4691 1.4691 1.8352 1.8352 2.4886 2.4886 2.8361 2.8361 9.3432 9.3432 10.2158 10.2158 10.5589 10.5589 10.8023 10.8023 k = 0.2583 0.2583-0.0000 ( 4511 PWs) bands (ev): -46.4930 -46.4930 -18.5437 -18.5437 -18.3745 -18.3745 -18.3506 -18.3506 -9.3655 -9.3655 -2.3758 -2.3758 -0.6170 -0.6170 0.5425 0.5425 0.6152 0.6152 1.1815 1.1815 1.4916 1.4916 1.8445 1.8445 2.4833 2.4833 2.7788 2.7788 9.3952 9.3952 10.2369 10.2369 10.5926 10.5926 10.8882 10.8882 k = 0.2500 0.2500-0.0000 ( 4511 PWs) bands (ev): -46.4930 -46.4930 -18.5435 -18.5435 -18.3743 -18.3743 -18.3501 -18.3501 -9.3730 -9.3730 -2.3789 -2.3789 -0.6312 -0.6312 0.5432 0.5432 0.6170 0.6170 1.1954 1.1954 1.5139 1.5139 1.8538 1.8538 2.4786 2.4786 2.7234 2.7234 9.4500 9.4500 10.2594 10.2594 10.6256 10.6256 10.9762 10.9762 k = 0.2417 0.2417-0.0000 ( 4507 PWs) bands (ev): -46.4931 -46.4931 -18.5432 -18.5432 -18.3741 -18.3741 -18.3495 -18.3495 -9.3806 -9.3806 -2.3820 -2.3820 -0.6453 -0.6453 0.5439 0.5439 0.6185 0.6185 1.2099 1.2099 1.5359 1.5359 1.8631 1.8631 2.4743 2.4743 2.6702 2.6702 9.5074 9.5074 10.2835 10.2835 10.6583 10.6583 11.0651 11.0651 k = 0.2333 0.2333-0.0000 ( 4505 PWs) bands (ev): -46.4931 -46.4931 -18.5430 -18.5430 -18.3739 -18.3739 -18.3490 -18.3490 -9.3883 -9.3883 -2.3851 -2.3851 -0.6592 -0.6592 0.5443 0.5443 0.6197 0.6197 1.2248 1.2248 1.5576 1.5576 1.8725 1.8725 2.4701 2.4701 2.6197 2.6197 9.5673 9.5673 10.3092 10.3092 10.6909 10.6909 11.1536 11.1536 k = 0.2250 0.2250-0.0000 ( 4509 PWs) bands (ev): -46.4931 -46.4931 -18.5428 -18.5428 -18.3738 -18.3738 -18.3485 -18.3485 -9.3961 -9.3961 -2.3882 -2.3882 -0.6730 -0.6730 0.5445 0.5445 0.6207 0.6207 1.2400 1.2400 1.5787 1.5787 1.8820 1.8820 2.4656 2.4656 2.5724 2.5724 9.6296 9.6296 10.3364 10.3364 10.7235 10.7235 11.2379 11.2379 k = 0.2167 0.2167-0.0000 ( 4509 PWs) bands (ev): -46.4932 -46.4932 -18.5425 -18.5425 -18.3736 -18.3736 -18.3479 -18.3479 -9.4040 -9.4040 -2.3913 -2.3913 -0.6864 -0.6864 0.5444 0.5444 0.6213 0.6213 1.2553 1.2553 1.5991 1.5991 1.8918 1.8918 2.4588 2.4588 2.5305 2.5305 9.6942 9.6942 10.3653 10.3653 10.7561 10.7561 11.2987 11.2987 k = 0.2083 0.2083-0.0000 ( 4509 PWs) bands (ev): -46.4932 -46.4932 -18.5423 -18.5423 -18.3734 -18.3734 -18.3474 -18.3474 -9.4119 -9.4119 -2.3944 -2.3944 -0.6997 -0.6997 0.5441 0.5441 0.6218 0.6218 1.2707 1.2707 1.6187 1.6187 1.9020 1.9020 2.4446 2.4446 2.4993 2.4993 9.7609 9.7609 10.3957 10.3957 10.7885 10.7885 11.2770 11.2770 k = 0.2000 0.2000-0.0000 ( 4497 PWs) bands (ev): -46.4932 -46.4932 -18.5420 -18.5420 -18.3732 -18.3732 -18.3468 -18.3468 -9.4199 -9.4199 -2.3975 -2.3975 -0.7126 -0.7126 0.5435 0.5435 0.6219 0.6219 1.2860 1.2860 1.6373 1.6373 1.9126 1.9126 2.4175 2.4175 2.4841 2.4841 9.8294 9.8294 10.4278 10.4278 10.8204 10.8204 11.2070 11.2070 k = 0.1917 0.1917-0.0000 ( 4501 PWs) bands (ev): -46.4933 -46.4933 -18.5418 -18.5418 -18.3730 -18.3730 -18.3462 -18.3462 -9.4278 -9.4278 -2.4005 -2.4005 -0.7252 -0.7252 0.5425 0.5425 0.6219 0.6219 1.3010 1.3010 1.6547 1.6547 1.9238 1.9238 2.3843 2.3843 2.4785 2.4785 9.8996 9.8996 10.4613 10.4613 10.8511 10.8511 11.1296 11.1296 k = 0.1833 0.1833-0.0000 ( 4497 PWs) bands (ev): -46.4933 -46.4933 -18.5415 -18.5415 -18.3728 -18.3728 -18.3457 -18.3457 -9.4357 -9.4357 -2.4035 -2.4035 -0.7374 -0.7374 0.5413 0.5413 0.6217 0.6217 1.3156 1.3156 1.6709 1.6709 1.9357 1.9357 2.3511 2.3511 2.4764 2.4764 9.9712 9.9712 10.4962 10.4962 10.8782 10.8782 11.0544 11.0544 k = 0.1750 0.1750-0.0000 ( 4499 PWs) bands (ev): -46.4933 -46.4933 -18.5413 -18.5413 -18.3726 -18.3726 -18.3451 -18.3451 -9.4435 -9.4435 -2.4065 -2.4065 -0.7493 -0.7493 0.5397 0.5397 0.6213 0.6213 1.3295 1.3295 1.6857 1.6857 1.9482 1.9482 2.3200 2.3200 2.4757 2.4757 10.0438 10.0438 10.5318 10.5318 10.8903 10.8903 10.9953 10.9953 k = 0.1667 0.1667-0.0000 ( 4513 PWs) bands (ev): -46.4934 -46.4934 -18.5411 -18.5411 -18.3725 -18.3725 -18.3446 -18.3446 -9.4512 -9.4512 -2.4094 -2.4094 -0.7608 -0.7608 0.5378 0.5378 0.6207 0.6207 1.3427 1.3427 1.6991 1.6991 1.9614 1.9614 2.2917 2.2917 2.4759 2.4759 10.1172 10.1172 10.5670 10.5670 10.8573 10.8573 10.9847 10.9847 k = 0.1583 0.1583-0.0000 ( 4501 PWs) bands (ev): -46.4934 -46.4934 -18.5409 -18.5409 -18.3723 -18.3723 -18.3441 -18.3441 -9.4587 -9.4587 -2.4122 -2.4122 -0.7718 -0.7718 0.5356 0.5356 0.6200 0.6200 1.3548 1.3548 1.7112 1.7112 1.9753 1.9753 2.2664 2.2664 2.4765 2.4765 10.1909 10.1909 10.5974 10.5974 10.8006 10.8006 11.0061 11.0061 k = 0.1500 0.1500-0.0000 ( 4509 PWs) bands (ev): -46.4934 -46.4934 -18.5407 -18.5407 -18.3721 -18.3721 -18.3436 -18.3436 -9.4661 -9.4661 -2.4149 -2.4149 -0.7824 -0.7824 0.5330 0.5330 0.6193 0.6193 1.3659 1.3659 1.7219 1.7219 1.9897 1.9897 2.2444 2.2444 2.4774 2.4774 10.2644 10.2644 10.6084 10.6084 10.7601 10.7601 11.0348 11.0348 k = 0.1417 0.1417-0.0000 ( 4507 PWs) bands (ev): -46.4935 -46.4935 -18.5404 -18.5404 -18.3719 -18.3719 -18.3431 -18.3431 -9.4733 -9.4733 -2.4176 -2.4176 -0.7926 -0.7926 0.5302 0.5302 0.6184 0.6184 1.3759 1.3759 1.7313 1.7313 2.0045 2.0045 2.2257 2.2257 2.4786 2.4786 10.3368 10.3368 10.5788 10.5788 10.7632 10.7632 11.0653 11.0653 k = 0.1333 0.1333-0.0000 ( 4515 PWs) bands (ev): -46.4935 -46.4935 -18.5403 -18.5403 -18.3718 -18.3718 -18.3426 -18.3426 -9.4803 -9.4803 -2.4201 -2.4201 -0.8023 -0.8023 0.5271 0.5271 0.6175 0.6175 1.3845 1.3845 1.7395 1.7395 2.0195 2.0195 2.2101 2.2101 2.4799 2.4799 10.4063 10.4063 10.5246 10.5246 10.7969 10.7969 11.0964 11.0964 k = 0.1250 0.1250-0.0000 ( 4511 PWs) bands (ev): -46.4935 -46.4935 -18.5400 -18.5400 -18.3716 -18.3716 -18.3422 -18.3422 -9.4870 -9.4870 -2.4226 -2.4226 -0.8114 -0.8114 0.5237 0.5237 0.6166 0.6166 1.3919 1.3919 1.7467 1.7467 2.0346 2.0346 2.1978 2.1978 2.4812 2.4812 10.4409 10.4409 10.4969 10.4969 10.8424 10.8424 11.1276 11.1276 k = 0.1167 0.1167-0.0000 ( 4507 PWs) bands (ev): -46.4936 -46.4936 -18.5398 -18.5398 -18.3714 -18.3714 -18.3417 -18.3417 -9.4934 -9.4934 -2.4249 -2.4249 -0.8201 -0.8201 0.5202 0.5202 0.6156 0.6156 1.3979 1.3979 1.7529 1.7529 2.0495 2.0495 2.1884 2.1884 2.4825 2.4825 10.3874 10.3874 10.5547 10.5547 10.8933 10.8933 11.1590 11.1590 k = 0.1083 0.1083-0.0000 ( 4517 PWs) bands (ev): -46.4936 -46.4936 -18.5397 -18.5397 -18.3713 -18.3713 -18.3413 -18.3413 -9.4995 -9.4995 -2.4271 -2.4271 -0.8282 -0.8282 0.5166 0.5166 0.6146 0.6146 1.4028 1.4028 1.7582 1.7582 2.0641 2.0641 2.1817 2.1817 2.4838 2.4838 10.3266 10.3266 10.6193 10.6193 10.9474 10.9474 11.1905 11.1905 k = 0.1000 0.1000-0.0000 ( 4509 PWs) bands (ev): -46.4936 -46.4936 -18.5395 -18.5395 -18.3711 -18.3711 -18.3409 -18.3409 -9.5053 -9.5053 -2.4292 -2.4292 -0.8358 -0.8358 0.5128 0.5128 0.6137 0.6137 1.4065 1.4065 1.7629 1.7629 2.0782 2.0782 2.1776 2.1776 2.4851 2.4851 10.2676 10.2676 10.6821 10.6821 11.0030 11.0030 11.2225 11.2225 k = 0.0917 0.0917-0.0000 ( 4513 PWs) bands (ev): -46.4936 -46.4936 -18.5394 -18.5394 -18.3710 -18.3710 -18.3405 -18.3405 -9.5107 -9.5107 -2.4312 -2.4312 -0.8428 -0.8428 0.5091 0.5091 0.6128 0.6128 1.4091 1.4091 1.7669 1.7669 2.0916 2.0916 2.1757 2.1757 2.4862 2.4862 10.2117 10.2117 10.7421 10.7421 11.0588 11.0588 11.2554 11.2554 k = 0.0833 0.0833-0.0000 ( 4517 PWs) bands (ev): -46.4936 -46.4936 -18.5392 -18.5392 -18.3709 -18.3709 -18.3402 -18.3402 -9.5158 -9.5158 -2.4330 -2.4330 -0.8493 -0.8493 0.5054 0.5054 0.6119 0.6119 1.4109 1.4109 1.7703 1.7703 2.1042 2.1042 2.1757 2.1757 2.4872 2.4872 10.1595 10.1595 10.7989 10.7989 11.1129 11.1129 11.2900 11.2900 k = 0.0750 0.0750-0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5391 -18.5391 -18.3707 -18.3707 -18.3399 -18.3399 -9.5204 -9.5204 -2.4346 -2.4346 -0.8551 -0.8551 0.5018 0.5018 0.6110 0.6110 1.4120 1.4120 1.7732 1.7732 2.1157 2.1157 2.1772 2.1772 2.4880 2.4880 10.1115 10.1115 10.8524 10.8524 11.1635 11.1635 11.3272 11.3272 k = 0.0667 0.0667-0.0000 ( 4511 PWs) bands (ev): -46.4937 -46.4937 -18.5389 -18.5389 -18.3706 -18.3706 -18.3395 -18.3395 -9.5246 -9.5246 -2.4361 -2.4361 -0.8604 -0.8604 0.4984 0.4984 0.6103 0.6103 1.4125 1.4125 1.7757 1.7757 2.1261 2.1261 2.1799 2.1799 2.4888 2.4888 10.0678 10.0678 10.9021 10.9021 11.2088 11.2088 11.3674 11.3674 k = 0.0583 0.0583-0.0000 ( 4511 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3393 -18.3393 -9.5283 -9.5283 -2.4374 -2.4374 -0.8651 -0.8651 0.4953 0.4953 0.6096 0.6096 1.4126 1.4126 1.7778 1.7778 2.1353 2.1353 2.1835 2.1835 2.4894 2.4894 10.0287 10.0287 10.9477 10.9477 11.2482 11.2482 11.4102 11.4102 k = 0.0500 0.0500-0.0000 ( 4521 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3391 -18.3391 -9.5316 -9.5316 -2.4386 -2.4386 -0.8692 -0.8692 0.4924 0.4924 0.6089 0.6089 1.4124 1.4124 1.7795 1.7795 2.1432 2.1432 2.1875 2.1875 2.4898 2.4898 9.9945 9.9945 10.9887 10.9887 11.2818 11.2818 11.4539 11.4539 k = 0.0417 0.0417-0.0000 ( 4519 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3704 -18.3704 -18.3389 -18.3389 -9.5344 -9.5344 -2.4396 -2.4396 -0.8726 -0.8726 0.4899 0.4899 0.6084 0.6084 1.4121 1.4121 1.7810 1.7810 2.1499 2.1499 2.1916 2.1916 2.4902 2.4902 9.9653 9.9653 11.0246 11.0246 11.3105 11.3105 11.4961 11.4961 k = 0.0333 0.0333-0.0000 ( 4519 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3703 -18.3703 -18.3387 -18.3387 -9.5367 -9.5367 -2.4404 -2.4404 -0.8755 -0.8755 0.4878 0.4878 0.6080 0.6080 1.4116 1.4116 1.7821 1.7821 2.1554 2.1554 2.1954 2.1954 2.4904 2.4904 9.9411 9.9411 11.0546 11.0546 11.3348 11.3348 11.5347 11.5347 k = 0.0250 0.0250-0.0000 ( 4515 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3703 -18.3703 -18.3385 -18.3385 -9.5385 -9.5385 -2.4411 -2.4411 -0.8777 -0.8777 0.4861 0.4861 0.6076 0.6076 1.4112 1.4112 1.7830 1.7830 2.1596 2.1596 2.1986 2.1986 2.4906 2.4906 9.9222 9.9222 11.0784 11.0784 11.3548 11.3548 11.5673 11.5673 k = 0.0167 0.0167-0.0000 ( 4513 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5398 -9.5398 -2.4416 -2.4416 -0.8793 -0.8793 0.4848 0.4848 0.6073 0.6073 1.4108 1.4108 1.7836 1.7836 2.1626 2.1626 2.2011 2.2011 2.4907 2.4907 9.9087 9.9087 11.0956 11.0956 11.3698 11.3698 11.5923 11.5923 k = 0.0083 0.0083-0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5406 -9.5406 -2.4418 -2.4418 -0.8802 -0.8802 0.4841 0.4841 0.6072 0.6072 1.4106 1.4106 1.7839 1.7839 2.1645 2.1645 2.2027 2.2027 2.4908 2.4908 9.9005 9.9005 11.1059 11.1059 11.3793 11.3793 11.6080 11.6080 k = 0.0000 0.0000 0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5409 -9.5409 -2.4419 -2.4419 -0.8805 -0.8805 0.4838 0.4838 0.6071 0.6071 1.4105 1.4105 1.7841 1.7841 2.1651 2.1651 2.2032 2.2032 2.4908 2.4908 9.8978 9.8978 11.1094 11.1094 11.3825 11.3825 11.6133 11.6133 k = 0.0000 0.0000 0.0000 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5409 -9.5409 -2.4419 -2.4419 -0.8805 -0.8805 0.4838 0.4838 0.6071 0.6071 1.4105 1.4105 1.7841 1.7841 2.1651 2.1651 2.2032 2.2032 2.4908 2.4908 9.8978 9.8978 11.1094 11.1094 11.3825 11.3825 11.6133 11.6133 k = 0.0000 0.0000 0.0116 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5404 -9.5404 -2.4509 -2.4509 -0.8705 -0.8705 0.4827 0.4827 0.6063 0.6063 1.4082 1.4082 1.7765 1.7765 2.1704 2.1704 2.2125 2.2125 2.4917 2.4917 9.8956 9.8956 11.1013 11.1013 11.3748 11.3748 11.6082 11.6082 k = 0.0000 0.0000 0.0231 ( 4509 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5391 -9.5391 -2.4770 -2.4770 -0.8412 -0.8412 0.4793 0.4793 0.6037 0.6037 1.4015 1.4015 1.7556 1.7556 2.1863 2.1863 2.2381 2.2381 2.4946 2.4946 9.8889 9.8889 11.0770 11.0770 11.3518 11.3518 11.5933 11.5933 k = 0.0000 0.0000 0.0347 ( 4509 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5369 -9.5369 -2.5183 -2.5183 -0.7947 -0.7947 0.4738 0.4738 0.5994 0.5994 1.3910 1.3910 1.7257 1.7257 2.2118 2.2118 2.2749 2.2749 2.5002 2.5002 9.8781 9.8781 11.0372 11.0372 11.3143 11.3143 11.5699 11.5699 k = 0.0000 0.0000 0.0463 ( 4509 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5339 -9.5339 -2.5722 -2.5722 -0.7336 -0.7336 0.4662 0.4662 0.5933 0.5933 1.3778 1.3778 1.6908 1.6908 2.2459 2.2459 2.3172 2.3172 2.5106 2.5106 9.8634 9.8634 10.9826 10.9826 11.2634 11.2634 11.5398 11.5398 k = 0.0000 0.0000 0.0578 ( 4517 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5300 -9.5300 -2.6359 -2.6359 -0.6610 -0.6610 0.4569 0.4569 0.5857 0.5857 1.3628 1.3628 1.6537 1.6537 2.2875 2.2875 2.3584 2.3584 2.5290 2.5290 9.8454 9.8454 10.9147 10.9147 11.2005 11.2005 11.5042 11.5042 k = 0.0000 0.0000 0.0694 ( 4513 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5253 -9.5253 -2.7068 -2.7068 -0.5795 -0.5795 0.4462 0.4462 0.5764 0.5764 1.3470 1.3470 1.6162 1.6162 2.3353 2.3353 2.3919 2.3919 2.5603 2.5603 9.8245 9.8245 10.8352 10.8352 11.1271 11.1271 11.4643 11.4643 k = 0.0000 0.0000 0.0810 ( 4529 PWs) bands (ev): -46.4938 -46.4938 -18.5386 -18.5386 -18.3703 -18.3703 -18.3385 -18.3385 -9.5199 -9.5199 -2.7829 -2.7829 -0.4919 -0.4919 0.4344 0.4344 0.5655 0.5655 1.3310 1.3310 1.5795 1.5795 2.3883 2.3883 2.4145 2.4145 2.6064 2.6064 9.8014 9.8014 10.7461 10.7461 11.0447 11.0447 11.4205 11.4205 k = 0.0000 0.0000 0.0926 ( 4505 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5138 -9.5138 -2.8622 -2.8622 -0.4002 -0.4002 0.4223 0.4223 0.5532 0.5532 1.3155 1.3155 1.5442 1.5442 2.4281 2.4281 2.4457 2.4457 2.6643 2.6643 9.7766 9.7766 10.6494 10.6494 10.9549 10.9549 11.3731 11.3731 k = 0.0000 0.0000 0.1041 ( 4505 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3384 -18.3384 -9.5070 -9.5070 -2.9435 -2.9435 -0.3069 -0.3069 0.4109 0.4109 0.5396 0.5396 1.3009 1.3009 1.5109 1.5109 2.4364 2.4364 2.5065 2.5065 2.7298 2.7298 9.7507 9.7507 10.5468 10.5468 10.8592 10.8592 11.3222 11.3222 k = 0.0000 0.0000 0.1157 ( 4497 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3383 -18.3383 -9.4996 -9.4996 -3.0256 -3.0256 -0.2142 -0.2142 0.4014 0.4014 0.5247 0.5247 1.2874 1.2874 1.4798 1.4798 2.4417 2.4417 2.5701 2.5701 2.7999 2.7999 9.7244 9.7244 10.4399 10.4399 10.7587 10.7587 11.2677 11.2677 k = 0.0000 0.0000 0.1273 ( 4477 PWs) bands (ev): -46.4937 -46.4937 -18.5384 -18.5384 -18.3701 -18.3701 -18.3383 -18.3383 -9.4917 -9.4917 -3.1074 -3.1074 -0.1253 -0.1253 0.3961 0.3961 0.5087 0.5087 1.2752 1.2752 1.4510 1.4510 2.4453 2.4453 2.6359 2.6359 2.8729 2.8729 9.6982 9.6982 10.3302 10.3302 10.6547 10.6547 11.2098 11.2098 k = 0.0000 0.0000 0.1388 ( 4465 PWs) bands (ev): -46.4937 -46.4937 -18.5384 -18.5384 -18.3701 -18.3701 -18.3383 -18.3383 -9.4833 -9.4833 -3.1884 -3.1884 -0.0444 -0.0444 0.3987 0.3987 0.4919 0.4919 1.2645 1.2645 1.4245 1.4245 2.4479 2.4479 2.7032 2.7032 2.9477 2.9477 9.6725 9.6725 10.2189 10.2189 10.5483 10.5483 11.1486 11.1486 k = 0.0000 0.0000 0.1504 ( 4474 PWs) bands (ev): -46.4937 -46.4937 -18.5384 -18.5384 -18.3701 -18.3701 -18.3383 -18.3383 -9.4745 -9.4745 -3.2679 -3.2679 0.0225 0.0225 0.4144 0.4144 0.4744 0.4744 1.2551 1.2551 1.4004 1.4004 2.4498 2.4498 2.7716 2.7716 3.0235 3.0235 9.6480 9.6480 10.1071 10.1071 10.4405 10.4405 11.0841 11.0841 k = 0.0000 0.0000 0.1620 ( 4474 PWs) bands (ev): -46.4937 -46.4937 -18.5384 -18.5384 -18.3702 -18.3702 -18.3383 -18.3383 -9.4654 -9.4654 -3.3453 -3.3453 0.0697 0.0697 0.4486 0.4486 0.4564 0.4564 1.2472 1.2472 1.3785 1.3785 2.4514 2.4514 2.8405 2.8405 3.0997 3.0997 9.6250 9.6250 9.9957 9.9957 10.3322 10.3322 11.0165 11.0165 k = 0.0000 0.0000 0.1735 ( 4482 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3383 -18.3383 -9.4561 -9.4561 -3.4203 -3.4203 0.0958 0.0958 0.4382 0.4382 0.5021 0.5021 1.2408 1.2408 1.3587 1.3587 2.4526 2.4526 2.9096 2.9096 3.1758 3.1758 9.6040 9.6040 9.8857 9.8857 10.2244 10.2244 10.9462 10.9462 k = 0.0000 0.0000 0.1851 ( 4482 PWs) bands (ev): -46.4937 -46.4937 -18.5385 -18.5385 -18.3702 -18.3702 -18.3383 -18.3383 -9.4467 -9.4467 -3.4924 -3.4924 0.1051 0.1051 0.4199 0.4199 0.5701 0.5701 1.2357 1.2357 1.3410 1.3410 2.4536 2.4536 2.9782 2.9782 3.2512 3.2512 9.5853 9.5853 9.7779 9.7779 10.1177 10.1177 10.8734 10.8734 k = 0.0000 0.0000 0.1967 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3704 -18.3704 -18.3384 -18.3384 -9.4373 -9.4373 -3.5613 -3.5613 0.1037 0.1037 0.4017 0.4017 0.6459 0.6459 1.2322 1.2322 1.3252 1.3252 2.4545 2.4545 3.0458 3.0458 3.3254 3.3254 9.5685 9.5685 9.6736 9.6736 10.0131 10.0131 10.7985 10.7985 k = 0.0000 0.0000 0.2083 ( 4498 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3703 -18.3703 -18.3383 -18.3383 -9.4279 -9.4279 -3.6267 -3.6267 0.0963 0.0963 0.3840 0.3840 0.7243 0.7243 1.2302 1.2302 1.3111 1.3111 2.4553 2.4553 3.1121 3.1121 3.3980 3.3980 9.5464 9.5464 9.5814 9.5814 9.9112 9.9112 10.7219 10.7219 k = 0.0000 0.0000 0.2198 ( 4498 PWs) bands (ev): -46.4937 -46.4937 -18.5386 -18.5386 -18.3704 -18.3704 -18.3383 -18.3383 -9.4187 -9.4187 -3.6884 -3.6884 0.0856 0.0856 0.3668 0.3668 0.8017 0.8017 1.2301 1.2301 1.2986 1.2986 2.4559 2.4559 3.1765 3.1765 3.4685 3.4685 9.4674 9.4674 9.5537 9.5537 9.8129 9.8129 10.6442 10.6442 k = 0.0000 0.0000 0.2314 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3704 -18.3704 -18.3384 -18.3384 -9.4097 -9.4097 -3.7460 -3.7460 0.0734 0.0734 0.3503 0.3503 0.8755 0.8755 1.2324 1.2324 1.2876 1.2876 2.4565 2.4565 3.2384 3.2384 3.5363 3.5363 9.3759 9.3759 9.5471 9.5471 9.7188 9.7188 10.5657 10.5657 k = 0.0000 0.0000 0.2430 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3704 -18.3704 -18.3384 -18.3384 -9.4012 -9.4012 -3.7993 -3.7993 0.0607 0.0607 0.3348 0.3348 0.9432 0.9432 1.2377 1.2377 1.2780 1.2780 2.4570 2.4570 3.2974 3.2974 3.6009 3.6009 9.2886 9.2886 9.5458 9.5458 9.6296 9.6296 10.4871 10.4871 k = 0.0000 0.0000 0.2545 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3930 -9.3930 -3.8482 -3.8482 0.0481 0.0481 0.3203 0.3203 1.0025 1.0025 1.2475 1.2475 1.2696 1.2696 2.4574 2.4574 3.3529 3.3529 3.6617 3.6617 9.2070 9.2070 9.5462 9.5462 9.5490 9.5490 10.4088 10.4088 k = 0.0000 0.0000 0.2661 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3855 -9.3855 -3.8925 -3.8925 0.0361 0.0361 0.3070 0.3070 1.0508 1.0508 1.2624 1.2624 1.2633 1.2633 2.4578 2.4578 3.4044 3.4044 3.7182 3.7182 9.1319 9.1319 9.4691 9.4691 9.5570 9.5570 10.3314 10.3314 k = 0.0000 0.0000 0.2777 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3786 -9.3786 -3.9320 -3.9320 0.0250 0.0250 0.2950 0.2950 1.0867 1.0867 1.2562 1.2562 1.2859 1.2859 2.4581 2.4581 3.4514 3.4514 3.7698 3.7698 9.0640 9.0640 9.3991 9.3991 9.5698 9.5698 10.2555 10.2555 k = 0.0000 0.0000 0.2892 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3384 -18.3384 -9.3724 -9.3724 -3.9665 -3.9665 0.0151 0.0151 0.2844 0.2844 1.1108 1.1108 1.2510 1.2510 1.3138 1.3138 2.4584 2.4584 3.4934 3.4934 3.8159 3.8159 9.0038 9.0038 9.3368 9.3368 9.5875 9.5875 10.1815 10.1815 k = 0.0000 0.0000 0.3008 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3671 -9.3671 -3.9959 -3.9959 0.0064 0.0064 0.2753 0.2753 1.1260 1.1260 1.2467 1.2467 1.3435 1.3435 2.4586 2.4586 3.5298 3.5298 3.8559 3.8559 8.9518 8.9518 9.2829 9.2829 9.6102 9.6102 10.1101 10.1101 k = 0.0000 0.0000 0.3124 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3384 -18.3384 -9.3626 -9.3626 -4.0201 -4.0201 -0.0008 -0.0008 0.2678 0.2678 1.1355 1.1355 1.2432 1.2432 1.3715 1.3715 2.4588 2.4588 3.5602 3.5602 3.8895 3.8895 8.9086 8.9086 9.2380 9.2380 9.6379 9.6379 10.0417 10.0417 k = 0.0000 0.0000 0.3239 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3590 -9.3590 -4.0391 -4.0391 -0.0065 -0.0065 0.2618 0.2618 1.1413 1.1413 1.2406 1.2406 1.3953 1.3953 2.4590 2.4590 3.5844 3.5844 3.9161 3.9161 8.8745 8.8745 9.2024 9.2024 9.6706 9.6706 9.9768 9.9768 k = 0.0000 0.0000 0.3355 ( 4514 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3565 -9.3565 -4.0527 -4.0527 -0.0106 -0.0106 0.2576 0.2576 1.1448 1.1448 1.2387 1.2387 1.4132 1.4132 2.4591 2.4591 3.6018 3.6018 3.9354 3.9354 8.8499 8.8499 9.1767 9.1767 9.7079 9.7079 9.9163 9.9163 k = 0.0000 0.0000 0.3471 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3549 -9.3549 -4.0608 -4.0608 -0.0131 -0.0131 0.2550 0.2550 1.1467 1.1467 1.2376 1.2376 1.4242 1.4242 2.4591 2.4591 3.6124 3.6124 3.9471 3.9471 8.8350 8.8350 9.1612 9.1612 9.7483 9.7483 9.8618 9.8618 k = 0.0000 0.0000 0.3587 ( 4506 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3544 -9.3544 -4.0636 -4.0636 -0.0139 -0.0139 0.2542 0.2542 1.1472 1.1472 1.2373 1.2373 1.4279 1.4279 2.4592 2.4592 3.6160 3.6160 3.9510 3.9510 8.8300 8.8300 9.1560 9.1560 9.7770 9.7770 9.8284 9.8284 k = 0.0000 0.0000 0.3587 ( 4506 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3544 -9.3544 -4.0636 -4.0636 -0.0139 -0.0139 0.2542 0.2542 1.1472 1.1472 1.2373 1.2373 1.4279 1.4279 2.4592 2.4592 3.6160 3.6160 3.9510 3.9510 8.8300 8.8300 9.1560 9.1560 9.7770 9.7770 9.8284 9.8284 k = 0.0000 0.0116 0.3587 ( 4512 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3542 -9.3542 -4.0634 -4.0634 -0.0142 -0.0142 0.2537 0.2537 1.1478 1.1478 1.2368 1.2368 1.4294 1.4294 2.4590 2.4590 3.6154 3.6154 3.9505 3.9505 8.8271 8.8271 9.1528 9.1528 9.7792 9.7792 9.8310 9.8310 k = 0.0000 0.0233 0.3587 ( 4514 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3385 -18.3385 -9.3534 -9.3534 -4.0627 -4.0627 -0.0151 -0.0151 0.2524 0.2524 1.1495 1.1495 1.2353 1.2353 1.4336 1.4336 2.4586 2.4586 3.6136 3.6136 3.9489 3.9489 8.8180 8.8180 9.1439 9.1439 9.7857 9.7857 9.8386 9.8386 k = 0.0000 0.0349 0.3587 ( 4512 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3386 -18.3386 -9.3522 -9.3522 -4.0617 -4.0617 -0.0167 -0.0167 0.2503 0.2503 1.1523 1.1523 1.2330 1.2330 1.4404 1.4404 2.4579 2.4579 3.6106 3.6106 3.9463 3.9463 8.8017 8.8017 9.1311 9.1311 9.7966 9.7966 9.8505 9.8505 k = 0.0000 0.0465 0.3587 ( 4516 PWs) bands (ev): -46.4937 -46.4937 -18.5389 -18.5389 -18.3706 -18.3706 -18.3387 -18.3387 -9.3505 -9.3505 -4.0603 -4.0603 -0.0189 -0.0189 0.2473 0.2473 1.1564 1.1564 1.2303 1.2303 1.4495 1.4495 2.4570 2.4570 3.6064 3.6064 3.9428 3.9428 8.7766 8.7766 9.1170 9.1170 9.8118 9.8118 9.8658 9.8658 k = 0.0000 0.0581 0.3587 ( 4516 PWs) bands (ev): -46.4937 -46.4937 -18.5389 -18.5389 -18.3706 -18.3706 -18.3389 -18.3389 -9.3484 -9.3484 -4.0585 -4.0585 -0.0219 -0.0219 0.2436 0.2436 1.1618 1.1618 1.2272 1.2272 1.4605 1.4605 2.4559 2.4559 3.6009 3.6009 3.9385 3.9385 8.7413 8.7413 9.1040 9.1040 9.8313 9.8313 9.8836 9.8836 k = 0.0000 0.0698 0.3587 ( 4512 PWs) bands (ev): -46.4937 -46.4937 -18.5390 -18.5390 -18.3707 -18.3707 -18.3390 -18.3390 -9.3457 -9.3457 -4.0563 -4.0563 -0.0258 -0.0258 0.2392 0.2392 1.1687 1.1687 1.2240 1.2240 1.4732 1.4732 2.4546 2.4546 3.5941 3.5941 3.9335 3.9336 8.6951 8.6951 9.0941 9.0941 9.8550 9.8550 9.9032 9.9032 k = 0.0000 0.0814 0.3587 ( 4508 PWs) bands (ev): -46.4937 -46.4937 -18.5391 -18.5391 -18.3708 -18.3708 -18.3392 -18.3392 -9.3427 -9.3427 -4.0537 -4.0537 -0.0306 -0.0306 0.2343 0.2343 1.1772 1.1772 1.2209 1.2209 1.4872 1.4872 2.4531 2.4531 3.5860 3.5860 3.9281 3.9281 8.6380 8.6380 9.0880 9.0880 9.8827 9.8827 9.9239 9.9239 k = 0.0000 0.0930 0.3587 ( 4514 PWs) bands (ev): -46.4937 -46.4937 -18.5392 -18.5392 -18.3709 -18.3709 -18.3395 -18.3395 -9.3392 -9.3392 -4.0508 -4.0508 -0.0366 -0.0366 0.2289 0.2289 1.1874 1.1874 1.2180 1.2180 1.5023 1.5023 2.4515 2.4515 3.5766 3.5766 3.9222 3.9222 8.5709 8.5709 9.0859 9.0859 9.9143 9.9143 9.9453 9.9453 k = 0.0000 0.1047 0.3587 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5393 -18.5393 -18.3710 -18.3710 -18.3398 -18.3398 -9.3352 -9.3352 -4.0476 -4.0476 -0.0438 -0.0438 0.2233 0.2233 1.1994 1.1994 1.2154 1.2154 1.5182 1.5182 2.4498 2.4498 3.5659 3.5659 3.9162 3.9162 8.4949 8.4949 9.0872 9.0872 9.9497 9.9497 9.9672 9.9672 k = 0.0000 0.1163 0.3587 ( 4518 PWs) bands (ev): -46.4936 -46.4936 -18.5394 -18.5394 -18.3712 -18.3712 -18.3400 -18.3400 -9.3309 -9.3309 -4.0440 -4.0440 -0.0524 -0.0524 0.2175 0.2175 1.2125 1.2125 1.2139 1.2139 1.5348 1.5348 2.4482 2.4482 3.5540 3.5540 3.9101 3.9101 8.4113 8.4113 9.0915 9.0915 9.9884 9.9884 9.9895 9.9895 k = 0.0000 0.1279 0.3587 ( 4516 PWs) bands (ev): -46.4936 -46.4936 -18.5396 -18.5396 -18.3713 -18.3713 -18.3403 -18.3403 -9.3262 -9.3262 -4.0401 -4.0401 -0.0625 -0.0625 0.2118 0.2118 1.2110 1.2110 1.2293 1.2293 1.5520 1.5520 2.4467 2.4467 3.5407 3.5407 3.9040 3.9040 8.3211 8.3211 9.0982 9.0982 10.0118 10.0118 10.0307 10.0307 k = 0.0000 0.1395 0.3587 ( 4514 PWs) bands (ev): -46.4936 -46.4936 -18.5397 -18.5397 -18.3715 -18.3715 -18.3406 -18.3406 -9.3212 -9.3212 -4.0359 -4.0359 -0.0742 -0.0742 0.2063 0.2063 1.2093 1.2093 1.2471 1.2471 1.5697 1.5697 2.4453 2.4453 3.5264 3.5264 3.8982 3.8982 8.2253 8.2253 9.1068 9.1068 10.0344 10.0344 10.0761 10.0761 k = 0.0000 0.1512 0.3587 ( 4514 PWs) bands (ev): -46.4936 -46.4936 -18.5399 -18.5399 -18.3717 -18.3717 -18.3409 -18.3409 -9.3158 -9.3158 -4.0315 -4.0315 -0.0875 -0.0875 0.2012 0.2012 1.2079 1.2079 1.2669 1.2669 1.5877 1.5877 2.4441 2.4441 3.5109 3.5109 3.8926 3.8926 8.1246 8.1246 9.1171 9.1171 10.0571 10.0571 10.1243 10.1243 k = 0.0000 0.1628 0.3587 ( 4508 PWs) bands (ev): -46.4936 -46.4936 -18.5400 -18.5400 -18.3719 -18.3719 -18.3413 -18.3413 -9.3101 -9.3101 -4.0268 -4.0268 -0.1025 -0.1025 0.1965 0.1965 1.2067 1.2067 1.2885 1.2885 1.6061 1.6061 2.4433 2.4433 3.4945 3.4945 3.8873 3.8873 8.0197 8.0197 9.1288 9.1288 10.0801 10.0801 10.1753 10.1753 k = 0.0000 0.1744 0.3587 ( 4506 PWs) bands (ev): -46.4935 -46.4935 -18.5402 -18.5402 -18.3721 -18.3721 -18.3416 -18.3416 -9.3042 -9.3042 -4.0220 -4.0220 -0.1190 -0.1190 0.1923 0.1923 1.2058 1.2058 1.3119 1.3119 1.6247 1.6247 2.4430 2.4430 3.4774 3.4774 3.8824 3.8824 7.9112 7.9112 9.1416 9.1416 10.1034 10.1034 10.2289 10.2289 k = 0.0000 0.1860 0.3587 ( 4504 PWs) bands (ev): -46.4935 -46.4935 -18.5404 -18.5404 -18.3723 -18.3723 -18.3419 -18.3419 -9.2980 -9.2980 -4.0169 -4.0169 -0.1370 -0.1370 0.1887 0.1887 1.2051 1.2051 1.3368 1.3368 1.6435 1.6435 2.4432 2.4432 3.4596 3.4596 3.8779 3.8779 7.7997 7.7997 9.1553 9.1553 10.1270 10.1270 10.2849 10.2849 k = 0.0000 0.1977 0.3587 ( 4504 PWs) bands (ev): -46.4935 -46.4935 -18.5406 -18.5406 -18.3726 -18.3726 -18.3422 -18.3422 -9.2916 -9.2916 -4.0117 -4.0117 -0.1564 -0.1564 0.1856 0.1856 1.2045 1.2045 1.3631 1.3631 1.6625 1.6625 2.4442 2.4442 3.4414 3.4414 3.8738 3.8738 7.6856 7.6856 9.1699 9.1699 10.1511 10.1511 10.3431 10.3431 k = 0.0000 0.2093 0.3587 ( 4508 PWs) bands (ev): -46.4935 -46.4935 -18.5408 -18.5408 -18.3729 -18.3729 -18.3426 -18.3426 -9.2850 -9.2850 -4.0064 -4.0064 -0.1770 -0.1770 0.1831 0.1831 1.2041 1.2041 1.3905 1.3905 1.6818 1.6818 2.4461 2.4461 3.4230 3.4230 3.8701 3.8701 7.5693 7.5693 9.1850 9.1850 10.1757 10.1757 10.4033 10.4033 k = 0.0000 0.2209 0.3587 ( 4516 PWs) bands (ev): -46.4934 -46.4934 -18.5411 -18.5411 -18.3732 -18.3732 -18.3429 -18.3429 -9.2783 -9.2783 -4.0009 -4.0009 -0.1986 -0.1986 0.1811 0.1811 1.2039 1.2039 1.4187 1.4187 1.7013 1.7013 2.4490 2.4490 3.4045 3.4045 3.8667 3.8667 7.4514 7.4514 9.2007 9.2007 10.2009 10.2009 10.4655 10.4655 k = 0.0000 0.2326 0.3587 ( 4516 PWs) bands (ev): -46.4934 -46.4934 -18.5413 -18.5413 -18.3735 -18.3735 -18.3432 -18.3432 -9.2714 -9.2714 -3.9954 -3.9954 -0.2211 -0.2211 0.1795 0.1795 1.2037 1.2037 1.4473 1.4473 1.7209 1.7209 2.4532 2.4532 3.3862 3.3862 3.8637 3.8637 7.3322 7.3322 9.2167 9.2167 10.2267 10.2267 10.5295 10.5295 k = 0.0000 0.2442 0.3587 ( 4516 PWs) bands (ev): -46.4934 -46.4934 -18.5415 -18.5415 -18.3738 -18.3738 -18.3435 -18.3435 -9.2645 -9.2645 -3.9899 -3.9899 -0.2442 -0.2442 0.1783 0.1783 1.2037 1.2037 1.4761 1.4761 1.7408 1.7408 2.4588 2.4588 3.3683 3.3683 3.8610 3.8610 7.2120 7.2120 9.2330 9.2330 10.2532 10.2532 10.5951 10.5951 k = 0.0000 0.2558 0.3587 ( 4514 PWs) bands (ev): -46.4934 -46.4934 -18.5418 -18.5418 -18.3741 -18.3741 -18.3438 -18.3438 -9.2575 -9.2575 -3.9843 -3.9843 -0.2677 -0.2677 0.1775 0.1775 1.2037 1.2037 1.5046 1.5046 1.7609 1.7609 2.4661 2.4661 3.3510 3.3510 3.8586 3.8586 7.0912 7.0912 9.2494 9.2494 10.2806 10.2806 10.6623 10.6623 k = 0.0000 0.2674 0.3587 ( 4510 PWs) bands (ev): -46.4933 -46.4933 -18.5420 -18.5420 -18.3745 -18.3745 -18.3441 -18.3441 -9.2506 -9.2506 -3.9787 -3.9787 -0.2914 -0.2914 0.1770 0.1770 1.2037 1.2037 1.5325 1.5325 1.7811 1.7811 2.4752 2.4752 3.3345 3.3345 3.8565 3.8565 6.9702 6.9702 9.2659 9.2659 10.3087 10.3087 10.7309 10.7309 k = 0.0000 0.2791 0.3587 ( 4514 PWs) bands (ev): -46.4933 -46.4933 -18.5422 -18.5422 -18.3748 -18.3748 -18.3444 -18.3444 -9.2437 -9.2437 -3.9732 -3.9732 -0.3152 -0.3152 0.1768 0.1768 1.2038 1.2038 1.5595 1.5595 1.8013 1.8013 2.4864 2.4864 3.3191 3.3191 3.8546 3.8546 6.8492 6.8492 9.2823 9.2823 10.3378 10.3378 10.8009 10.8009 k = 0.0000 0.2907 0.3587 ( 4518 PWs) bands (ev): -46.4933 -46.4933 -18.5425 -18.5425 -18.3752 -18.3752 -18.3446 -18.3446 -9.2368 -9.2368 -3.9678 -3.9678 -0.3389 -0.3389 0.1767 0.1767 1.2039 1.2039 1.5851 1.5851 1.8214 1.8214 2.4998 2.4998 3.3050 3.3050 3.8530 3.8530 6.7288 6.7288 9.2986 9.2986 10.3678 10.3678 10.8722 10.8722 k = 0.0000 0.3023 0.3587 ( 4520 PWs) bands (ev): -46.4933 -46.4933 -18.5427 -18.5427 -18.3756 -18.3756 -18.3448 -18.3448 -9.2301 -9.2301 -3.9625 -3.9625 -0.3622 -0.3622 0.1769 0.1769 1.2040 1.2040 1.6093 1.6093 1.8412 1.8412 2.5155 2.5155 3.2925 3.2925 3.8516 3.8516 6.6091 6.6091 9.3146 9.3146 10.3987 10.3987 10.9446 10.9446 k = 0.0000 0.3140 0.3587 ( 4520 PWs) bands (ev): -46.4932 -46.4932 -18.5429 -18.5429 -18.3759 -18.3759 -18.3450 -18.3450 -9.2235 -9.2235 -3.9573 -3.9573 -0.3851 -0.3851 0.1771 0.1771 1.2041 1.2041 1.6318 1.6318 1.8603 1.8603 2.5334 2.5334 3.2818 3.2818 3.8503 3.8503 6.4906 6.4906 9.3303 9.3303 10.4307 10.4307 11.0182 11.0182 k = 0.0000 0.3256 0.3587 ( 4520 PWs) bands (ev): -46.4932 -46.4932 -18.5432 -18.5432 -18.3763 -18.3763 -18.3452 -18.3452 -9.2171 -9.2171 -3.9523 -3.9523 -0.4074 -0.4074 0.1775 0.1775 1.2042 1.2042 1.6525 1.6525 1.8785 1.8785 2.5536 2.5536 3.2734 3.2734 3.8493 3.8493 6.3736 6.3736 9.3455 9.3455 10.4637 10.4637 11.0927 11.0927 k = 0.0000 0.3372 0.3587 ( 4528 PWs) bands (ev): -46.4932 -46.4932 -18.5434 -18.5434 -18.3766 -18.3766 -18.3454 -18.3454 -9.2109 -9.2109 -3.9474 -3.9474 -0.4289 -0.4289 0.1780 0.1780 1.2043 1.2043 1.6715 1.6715 1.8956 1.8956 2.5756 2.5756 3.2675 3.2675 3.8483 3.8483 6.2586 6.2586 9.3602 9.3602 10.4977 10.4977 11.1683 11.1683 k = 0.0000 0.3488 0.3587 ( 4528 PWs) bands (ev): -46.4932 -46.4932 -18.5436 -18.5436 -18.3770 -18.3770 -18.3456 -18.3456 -9.2049 -9.2049 -3.9428 -3.9428 -0.4495 -0.4495 0.1785 0.1785 1.2043 1.2043 1.6889 1.6889 1.9114 1.9114 2.5991 2.5991 3.2645 3.2645 3.8476 3.8476 6.1460 6.1460 9.3742 9.3742 10.5326 10.5326 11.2447 11.2447 k = 0.0000 0.3605 0.3587 ( 4528 PWs) bands (ev): -46.4932 -46.4932 -18.5438 -18.5438 -18.3773 -18.3773 -18.3457 -18.3457 -9.1993 -9.1993 -3.9384 -3.9384 -0.4691 -0.4691 0.1791 0.1791 1.2044 1.2044 1.7045 1.7045 1.9256 1.9256 2.6234 2.6234 3.2647 3.2647 3.8469 3.8469 6.0362 6.0362 9.3876 9.3876 10.5686 10.5686 11.3219 11.3219 k = 0.0000 0.3721 0.3587 ( 4524 PWs) bands (ev): -46.4931 -46.4931 -18.5440 -18.5440 -18.3776 -18.3776 -18.3458 -18.3458 -9.1940 -9.1940 -3.9343 -3.9343 -0.4875 -0.4875 0.1796 0.1796 1.2045 1.2045 1.7187 1.7187 1.9382 1.9382 2.6478 2.6478 3.2685 3.2685 3.8464 3.8464 5.9299 5.9299 9.4002 9.4002 10.6054 10.6054 11.3999 11.3999 k = 0.0000 0.3837 0.3587 ( 4512 PWs) bands (ev): -46.4931 -46.4931 -18.5442 -18.5442 -18.3778 -18.3778 -18.3459 -18.3459 -9.1890 -9.1890 -3.9304 -3.9304 -0.5047 -0.5047 0.1802 0.1802 1.2045 1.2045 1.7314 1.7314 1.9493 1.9493 2.6715 2.6715 3.2760 3.2760 3.8460 3.8460 5.8276 5.8276 9.4120 9.4120 10.6430 10.6430 11.4785 11.4785 k = 0.0000 0.3953 0.3587 ( 4524 PWs) bands (ev): -46.4931 -46.4931 -18.5444 -18.5444 -18.3782 -18.3782 -18.3460 -18.3460 -9.1844 -9.1844 -3.9269 -3.9269 -0.5206 -0.5206 0.1807 0.1807 1.2045 1.2045 1.7426 1.7426 1.9588 1.9588 2.6937 2.6937 3.2873 3.2873 3.8457 3.8457 5.7301 5.7301 9.4228 9.4228 10.6811 10.6811 11.5576 11.5576 k = 0.0000 0.4070 0.3587 ( 4522 PWs) bands (ev): -46.4931 -46.4931 -18.5445 -18.5445 -18.3784 -18.3784 -18.3461 -18.3461 -9.1802 -9.1802 -3.9237 -3.9237 -0.5350 -0.5350 0.1813 0.1813 1.2046 1.2046 1.7526 1.7526 1.9669 1.9669 2.7139 2.7139 3.3022 3.3022 3.8455 3.8455 5.6382 5.6382 9.4327 9.4327 10.7196 10.7196 11.6371 11.6371 k = 0.0000 0.4186 0.3587 ( 4526 PWs) bands (ev): -46.4931 -46.4931 -18.5447 -18.5447 -18.3787 -18.3787 -18.3462 -18.3462 -9.1765 -9.1765 -3.9208 -3.9208 -0.5479 -0.5479 0.1817 0.1817 1.2046 1.2046 1.7612 1.7612 1.9736 1.9736 2.7315 2.7315 3.3200 3.3200 3.8454 3.8454 5.5527 5.5527 9.4416 9.4416 10.7580 10.7580 11.7164 11.7164 k = 0.0000 0.4302 0.3587 ( 4530 PWs) bands (ev): -46.4931 -46.4931 -18.5448 -18.5448 -18.3789 -18.3789 -18.3462 -18.3462 -9.1732 -9.1732 -3.9183 -3.9183 -0.5593 -0.5593 0.1822 0.1822 1.2046 1.2046 1.7687 1.7687 1.9792 1.9792 2.7464 2.7464 3.3399 3.3399 3.8453 3.8453 5.4748 5.4748 9.4493 9.4493 10.7957 10.7957 11.7733 11.7733 k = 0.0000 0.4419 0.3587 ( 4532 PWs) bands (ev): -46.4931 -46.4931 -18.5449 -18.5449 -18.3791 -18.3791 -18.3463 -18.3463 -9.1703 -9.1703 -3.9161 -3.9161 -0.5690 -0.5690 0.1826 0.1826 1.2046 1.2046 1.7750 1.7750 1.9837 1.9837 2.7585 2.7585 3.3606 3.3606 3.8454 3.8454 5.4057 5.4057 9.4560 9.4560 10.8321 10.8321 11.7214 11.7214 k = 0.0000 0.4535 0.3587 ( 4528 PWs) bands (ev): -46.4931 -46.4931 -18.5450 -18.5450 -18.3792 -18.3792 -18.3463 -18.3463 -9.1680 -9.1680 -3.9143 -3.9143 -0.5770 -0.5770 0.1829 0.1829 1.2046 1.2046 1.7800 1.7800 1.9872 1.9872 2.7679 2.7679 3.3807 3.3807 3.8454 3.8454 5.3466 5.3466 9.4615 9.4615 10.8659 10.8659 11.6696 11.6696 k = 0.0000 0.4651 0.3587 ( 4532 PWs) bands (ev): -46.4931 -46.4931 -18.5451 -18.5451 -18.3793 -18.3793 -18.3464 -18.3464 -9.1662 -9.1662 -3.9129 -3.9129 -0.5833 -0.5833 0.1831 0.1831 1.2046 1.2046 1.7840 1.7840 1.9898 1.9898 2.7749 2.7749 3.3984 3.3984 3.8455 3.8455 5.2988 5.2988 9.4658 9.4658 10.8956 10.8956 11.6256 11.6256 k = 0.0000 0.4767 0.3587 ( 4532 PWs) bands (ev): -46.4931 -46.4931 -18.5451 -18.5451 -18.3794 -18.3794 -18.3464 -18.3464 -9.1648 -9.1648 -3.9119 -3.9119 -0.5878 -0.5878 0.1833 0.1833 1.2046 1.2046 1.7868 1.7868 1.9916 1.9916 2.7797 2.7797 3.4124 3.4124 3.8457 3.8457 5.2635 5.2635 9.4689 9.4689 10.9193 10.9193 11.5916 11.5916 k = 0.0000 0.4884 0.3587 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3795 -18.3795 -18.3464 -18.3464 -9.1641 -9.1641 -3.9113 -3.9113 -0.5905 -0.5905 0.1834 0.1834 1.2046 1.2046 1.7885 1.7885 1.9927 1.9927 2.7825 2.7825 3.4214 3.4214 3.8457 3.8457 5.2419 5.2419 9.4708 9.4708 10.9347 10.9347 11.5700 11.5700 k = 0.0000 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3795 -18.3795 -18.3463 -18.3463 -9.1638 -9.1638 -3.9111 -3.9111 -0.5914 -0.5914 0.1835 0.1835 1.2046 1.2046 1.7890 1.7890 1.9930 1.9930 2.7834 2.7834 3.4244 3.4244 3.8458 3.8458 5.2346 5.2346 9.4714 9.4714 10.9401 10.9401 11.5625 11.5625 k = 0.0000 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3795 -18.3795 -18.3463 -18.3463 -9.1638 -9.1638 -3.9111 -3.9111 -0.5914 -0.5914 0.1835 0.1835 1.2046 1.2046 1.7890 1.7890 1.9930 1.9930 2.7834 2.7834 3.4244 3.4244 3.8458 3.8458 5.2346 5.2346 9.4714 9.4714 10.9401 10.9401 11.5625 11.5625 k = 0.0116 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3464 -18.3464 -9.1637 -9.1637 -3.9109 -3.9109 -0.5911 -0.5911 0.1829 0.1829 1.2046 1.2046 1.7895 1.7895 1.9936 1.9936 2.7833 2.7833 3.4246 3.4246 3.8450 3.8450 5.2361 5.2361 9.4671 9.4671 10.9412 10.9412 11.5629 11.5629 k = 0.0233 0.5000 0.3587 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.1634 -9.1634 -3.9104 -3.9104 -0.5903 -0.5903 0.1811 0.1811 1.2046 1.2046 1.7908 1.7908 1.9951 1.9951 2.7828 2.7828 3.4251 3.4251 3.8427 3.8427 5.2403 5.2403 9.4542 9.4542 10.9444 10.9444 11.5640 11.5640 k = 0.0349 0.5000 0.3587 ( 4536 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3466 -18.3466 -9.1628 -9.1628 -3.9095 -3.9095 -0.5889 -0.5889 0.1782 0.1782 1.2046 1.2046 1.7931 1.7931 1.9978 1.9978 2.7820 2.7820 3.4260 3.4260 3.8388 3.8388 5.2474 5.2474 9.4329 9.4329 10.9497 10.9497 11.5658 11.5658 k = 0.0465 0.5000 0.3587 ( 4540 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3468 -18.3468 -9.1621 -9.1621 -3.9083 -3.9083 -0.5870 -0.5870 0.1740 0.1740 1.2046 1.2046 1.7961 1.7961 2.0016 2.0016 2.7809 2.7809 3.4273 3.4273 3.8335 3.8335 5.2573 5.2573 9.4035 9.4035 10.9569 10.9569 11.5683 11.5683 k = 0.0581 0.5000 0.3587 ( 4536 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3793 -18.3793 -18.3469 -18.3469 -9.1611 -9.1611 -3.9067 -3.9067 -0.5846 -0.5846 0.1687 0.1687 1.2048 1.2048 1.7998 1.7998 2.0065 2.0065 2.7795 2.7795 3.4289 3.4289 3.8268 3.8268 5.2699 5.2699 9.3663 9.3663 10.9660 10.9660 11.5716 11.5716 k = 0.0698 0.5000 0.3587 ( 4536 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3792 -18.3792 -18.3472 -18.3472 -9.1599 -9.1599 -3.9048 -3.9048 -0.5816 -0.5816 0.1622 0.1622 1.2050 1.2050 1.8043 1.8043 2.0127 2.0127 2.7779 2.7779 3.4309 3.4309 3.8188 3.8188 5.2852 5.2852 9.3217 9.3217 10.9767 10.9767 11.5755 11.5755 k = 0.0814 0.5000 0.3587 ( 4540 PWs) bands (ev): -46.4930 -46.4930 -18.5453 -18.5453 -18.3792 -18.3792 -18.3474 -18.3474 -9.1586 -9.1586 -3.9025 -3.9025 -0.5782 -0.5782 0.1545 0.1545 1.2054 1.2054 1.8093 1.8093 2.0202 2.0202 2.7762 2.7762 3.4332 3.4332 3.8094 3.8094 5.3031 5.3031 9.2700 9.2700 10.9890 10.9890 11.5800 11.5800 k = 0.0930 0.5000 0.3587 ( 4556 PWs) bands (ev): -46.4930 -46.4930 -18.5454 -18.5454 -18.3791 -18.3791 -18.3478 -18.3478 -9.1570 -9.1570 -3.9000 -3.9000 -0.5743 -0.5743 0.1456 0.1456 1.2058 1.2058 1.8149 1.8149 2.0290 2.0290 2.7742 2.7742 3.4360 3.4360 3.7989 3.7990 5.3234 5.3234 9.2119 9.2119 11.0027 11.0027 11.5852 11.5852 k = 0.1047 0.5000 0.3587 ( 4556 PWs) bands (ev): -46.4930 -46.4930 -18.5454 -18.5454 -18.3790 -18.3790 -18.3481 -18.3481 -9.1553 -9.1553 -3.8972 -3.8972 -0.5700 -0.5700 0.1355 0.1355 1.2064 1.2064 1.8209 1.8209 2.0393 2.0393 2.7721 2.7721 3.4391 3.4391 3.7874 3.7874 5.3461 5.3461 9.1477 9.1477 11.0176 11.0176 11.5910 11.5910 k = 0.1163 0.5000 0.3587 ( 4548 PWs) bands (ev): -46.4930 -46.4930 -18.5454 -18.5454 -18.3789 -18.3789 -18.3484 -18.3484 -9.1534 -9.1534 -3.8940 -3.8940 -0.5652 -0.5652 0.1244 0.1244 1.2071 1.2071 1.8273 1.8273 2.0511 2.0511 2.7700 2.7700 3.4427 3.4427 3.7750 3.7750 5.3710 5.3710 9.0779 9.0779 11.0337 11.0337 11.5973 11.5973 k = 0.1279 0.5000 0.3587 ( 4552 PWs) bands (ev): -46.4930 -46.4930 -18.5455 -18.5455 -18.3788 -18.3788 -18.3488 -18.3488 -9.1513 -9.1513 -3.8906 -3.8906 -0.5600 -0.5600 0.1121 0.1121 1.2080 1.2080 1.8342 1.8342 2.0644 2.0644 2.7678 2.7678 3.4467 3.4467 3.7618 3.7618 5.3981 5.3981 9.0030 9.0030 11.0509 11.0509 11.6042 11.6042 k = 0.1395 0.5000 0.3587 ( 4544 PWs) bands (ev): -46.4929 -46.4929 -18.5455 -18.5455 -18.3786 -18.3786 -18.3492 -18.3492 -9.1491 -9.1491 -3.8870 -3.8870 -0.5545 -0.5545 0.0988 0.0988 1.2088 1.2088 1.8413 1.8413 2.0792 2.0792 2.7656 2.7656 3.4512 3.4512 3.7478 3.7478 5.4272 5.4272 8.9235 8.9235 11.0692 11.0692 11.6115 11.6115 k = 0.1512 0.5000 0.3587 ( 4544 PWs) bands (ev): -46.4929 -46.4929 -18.5456 -18.5456 -18.3785 -18.3785 -18.3496 -18.3496 -9.1467 -9.1467 -3.8831 -3.8831 -0.5487 -0.5487 0.0845 0.0845 1.2097 1.2097 1.8488 1.8488 2.0956 2.0956 2.7635 2.7635 3.4561 3.4561 3.7334 3.7334 5.4581 5.4581 8.8398 8.8398 11.0884 11.0884 11.6193 11.6193 k = 0.1628 0.5000 0.3587 ( 4540 PWs) bands (ev): -46.4929 -46.4929 -18.5456 -18.5456 -18.3784 -18.3784 -18.3500 -18.3500 -9.1442 -9.1442 -3.8790 -3.8790 -0.5426 -0.5426 0.0694 0.0694 1.2105 1.2105 1.8567 1.8567 2.1135 2.1135 2.7614 2.7614 3.4615 3.4615 3.7186 3.7186 5.4907 5.4907 8.7523 8.7523 11.1087 11.1087 11.6274 11.6274 k = 0.1744 0.5000 0.3587 ( 4540 PWs) bands (ev): -46.4929 -46.4929 -18.5457 -18.5457 -18.3782 -18.3782 -18.3505 -18.3505 -9.1416 -9.1416 -3.8748 -3.8748 -0.5363 -0.5363 0.0534 0.0534 1.2112 1.2112 1.8648 1.8648 2.1329 2.1329 2.7595 2.7595 3.4675 3.4675 3.7035 3.7035 5.5248 5.5248 8.6615 8.6615 11.1300 11.1300 11.6358 11.6358 k = 0.1860 0.5000 0.3587 ( 4544 PWs) bands (ev): -46.4929 -46.4929 -18.5457 -18.5457 -18.3781 -18.3781 -18.3510 -18.3510 -9.1389 -9.1389 -3.8704 -3.8704 -0.5297 -0.5297 0.0367 0.0367 1.2116 1.2116 1.8733 1.8733 2.1539 2.1539 2.7577 2.7577 3.4741 3.4741 3.6884 3.6884 5.5603 5.5603 8.5677 8.5677 11.1523 11.1523 11.6445 11.6445 k = 0.1977 0.5000 0.3587 ( 4536 PWs) bands (ev): -46.4928 -46.4928 -18.5458 -18.5458 -18.3779 -18.3779 -18.3515 -18.3515 -9.1360 -9.1360 -3.8658 -3.8658 -0.5230 -0.5230 0.0195 0.0195 1.2119 1.2119 1.8820 1.8820 2.1762 2.1762 2.7561 2.7561 3.4813 3.4813 3.6732 3.6732 5.5971 5.5971 8.4714 8.4714 11.1756 11.1756 11.6533 11.6533 k = 0.2093 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4928 -46.4928 -18.5458 -18.5458 -18.3778 -18.3778 -18.3519 -18.3519 -9.1331 -9.1331 -3.8611 -3.8611 -0.5163 -0.5163 0.0018 0.0018 1.2118 1.2118 1.8910 1.8910 2.1999 2.1999 2.7547 2.7547 3.4892 3.4892 3.6583 3.6583 5.6348 5.6348 8.3730 8.3730 11.1999 11.1999 11.6621 11.6621 k = 0.2209 0.5000 0.3587 ( 4524 PWs) bands (ev): -46.4928 -46.4928 -18.5459 -18.5459 -18.3776 -18.3776 -18.3524 -18.3524 -9.1302 -9.1302 -3.8564 -3.8564 -0.5094 -0.5094 -0.0163 -0.0163 1.2114 1.2114 1.9002 1.9002 2.2249 2.2249 2.7536 2.7536 3.4978 3.4978 3.6436 3.6436 5.6733 5.6733 8.2729 8.2729 11.2254 11.2254 11.6676 11.6676 k = 0.2326 0.5000 0.3587 ( 4520 PWs) bands (ev): -46.4927 -46.4927 -18.5459 -18.5459 -18.3775 -18.3775 -18.3529 -18.3529 -9.1272 -9.1272 -3.8515 -3.8515 -0.5026 -0.5026 -0.0346 -0.0346 1.2106 1.2106 1.9096 1.9096 2.2509 2.2509 2.7526 2.7526 3.5073 3.5073 3.6295 3.6295 5.7125 5.7125 8.1713 8.1713 11.2519 11.2519 11.6216 11.6216 k = 0.2442 0.5000 0.3587 ( 4524 PWs) bands (ev): -46.4927 -46.4927 -18.5460 -18.5460 -18.3774 -18.3774 -18.3534 -18.3534 -9.1241 -9.1241 -3.8467 -3.8467 -0.4959 -0.4959 -0.0530 -0.0530 1.2094 1.2094 1.9190 1.9190 2.2778 2.2778 2.7520 2.7520 3.5177 3.5177 3.6158 3.6158 5.7522 5.7522 8.0688 8.0688 11.2796 11.2796 11.5658 11.5658 k = 0.2558 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4927 -46.4927 -18.5461 -18.5461 -18.3773 -18.3773 -18.3538 -18.3538 -9.1211 -9.1211 -3.8418 -3.8418 -0.4894 -0.4894 -0.0713 -0.0713 1.2079 1.2079 1.9285 1.9285 2.3055 2.3055 2.7516 2.7516 3.5290 3.5290 3.6029 3.6029 5.7921 5.7921 7.9656 7.9656 11.3081 11.3081 11.5099 11.5099 k = 0.2674 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4927 -46.4927 -18.5462 -18.5462 -18.3772 -18.3772 -18.3543 -18.3543 -9.1180 -9.1180 -3.8369 -3.8369 -0.4830 -0.4830 -0.0894 -0.0894 1.2060 1.2060 1.9380 1.9380 2.3337 2.3337 2.7515 2.7515 3.5414 3.5414 3.5909 3.5909 5.8319 5.8319 7.8621 7.8621 11.3370 11.3370 11.4553 11.4553 k = 0.2791 0.5000 0.3587 ( 4520 PWs) bands (ev): -46.4926 -46.4926 -18.5463 -18.5463 -18.3770 -18.3770 -18.3547 -18.3547 -9.1150 -9.1150 -3.8321 -3.8321 -0.4769 -0.4769 -0.1071 -0.1071 1.2037 1.2037 1.9474 1.9474 2.3620 2.3620 2.7516 2.7516 3.5546 3.5546 3.5801 3.5801 5.8716 5.8716 7.7589 7.7589 11.3602 11.3602 11.4083 11.4083 k = 0.2907 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4926 -46.4926 -18.5464 -18.5464 -18.3769 -18.3769 -18.3551 -18.3551 -9.1120 -9.1120 -3.8273 -3.8273 -0.4712 -0.4712 -0.1244 -0.1244 1.2011 1.2011 1.9566 1.9566 2.3903 2.3903 2.7521 2.7521 3.5638 3.5638 3.5756 3.5756 5.9107 5.9107 7.6562 7.6562 11.3345 11.3345 11.4124 11.4124 k = 0.3023 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4926 -46.4926 -18.5465 -18.5465 -18.3769 -18.3769 -18.3555 -18.3555 -9.1091 -9.1091 -3.8227 -3.8227 -0.4659 -0.4659 -0.1410 -0.1410 1.1983 1.1983 1.9657 1.9657 2.4182 2.4182 2.7529 2.7529 3.5575 3.5575 3.5890 3.5890 5.9492 5.9492 7.5544 7.5544 11.2842 11.2842 11.4438 11.4438 k = 0.3140 0.5000 0.3587 ( 4508 PWs) bands (ev): -46.4926 -46.4926 -18.5465 -18.5465 -18.3768 -18.3768 -18.3559 -18.3559 -9.1062 -9.1062 -3.8181 -3.8181 -0.4610 -0.4610 -0.1569 -0.1569 1.1952 1.1952 1.9744 1.9744 2.4453 2.4453 2.7540 2.7540 3.5494 3.5494 3.6069 3.6069 5.9865 5.9865 7.4542 7.4542 11.2330 11.2330 11.4791 11.4791 k = 0.3256 0.5000 0.3587 ( 4508 PWs) bands (ev): -46.4925 -46.4925 -18.5466 -18.5466 -18.3767 -18.3767 -18.3562 -18.3562 -9.1034 -9.1034 -3.8137 -3.8137 -0.4568 -0.4568 -0.1718 -0.1718 1.1920 1.1920 1.9829 1.9829 2.4713 2.4713 2.7555 2.7555 3.5419 3.5419 3.6267 3.6267 6.0225 6.0225 7.3560 7.3560 11.1830 11.1830 11.5164 11.5164 k = 0.3372 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4925 -46.4925 -18.5467 -18.5467 -18.3767 -18.3767 -18.3566 -18.3566 -9.1007 -9.1007 -3.8095 -3.8095 -0.4532 -0.4532 -0.1857 -0.1857 1.1887 1.1887 1.9910 1.9910 2.4960 2.4960 2.7573 2.7573 3.5354 3.5354 3.6483 3.6483 6.0568 6.0568 7.2603 7.2603 11.1349 11.1349 11.5555 11.5555 k = 0.3488 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4925 -46.4925 -18.5468 -18.5468 -18.3767 -18.3767 -18.3569 -18.3569 -9.0981 -9.0981 -3.8054 -3.8054 -0.4503 -0.4503 -0.1984 -0.1984 1.1853 1.1853 1.9986 1.9986 2.5190 2.5190 2.7593 2.7593 3.5297 3.5297 3.6716 3.6716 6.0889 6.0889 7.1678 7.1678 11.0889 11.0889 11.5962 11.5962 k = 0.3605 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4925 -46.4925 -18.5469 -18.5469 -18.3767 -18.3767 -18.3572 -18.3572 -9.0956 -9.0956 -3.8015 -3.8015 -0.4481 -0.4481 -0.2099 -0.2099 1.1820 1.1820 2.0059 2.0059 2.5401 2.5401 2.7617 2.7617 3.5248 3.5248 3.6965 3.6965 6.1185 6.1185 7.0793 7.0793 11.0453 11.0453 11.6385 11.6385 k = 0.3721 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4925 -46.4925 -18.5470 -18.5470 -18.3767 -18.3767 -18.3574 -18.3574 -9.0933 -9.0933 -3.7979 -3.7979 -0.4466 -0.4466 -0.2202 -0.2202 1.1787 1.1787 2.0126 2.0126 2.5592 2.5592 2.7643 2.7643 3.5208 3.5208 3.7228 3.7228 6.1450 6.1450 6.9957 6.9957 11.0045 11.0045 11.6823 11.6823 k = 0.3837 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4925 -46.4925 -18.5471 -18.5471 -18.3767 -18.3767 -18.3577 -18.3577 -9.0911 -9.0911 -3.7945 -3.7945 -0.4458 -0.4458 -0.2291 -0.2291 1.1755 1.1755 2.0189 2.0189 2.5761 2.5761 2.7672 2.7672 3.5175 3.5175 3.7501 3.7501 6.1677 6.1677 6.9178 6.9178 10.9665 10.9665 11.7269 11.7269 k = 0.3953 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3767 -18.3767 -18.3579 -18.3579 -9.0891 -9.0891 -3.7914 -3.7914 -0.4457 -0.4457 -0.2367 -0.2367 1.1724 1.1724 2.0246 2.0246 2.5909 2.5909 2.7701 2.7701 3.5148 3.5148 3.7781 3.7781 6.1860 6.1860 6.8468 6.8468 10.9315 10.9315 11.7565 11.7565 k = 0.4070 0.5000 0.3587 ( 4524 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3767 -18.3767 -18.3581 -18.3581 -9.0873 -9.0873 -3.7886 -3.7886 -0.4461 -0.4461 -0.2430 -0.2430 1.1696 1.1696 2.0298 2.0298 2.6036 2.6036 2.7731 2.7731 3.5127 3.5127 3.8061 3.8061 6.1992 6.1992 6.7840 6.7840 10.8998 10.8998 11.7579 11.7579 k = 0.4186 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3767 -18.3767 -18.3582 -18.3582 -9.0857 -9.0857 -3.7861 -3.7861 -0.4470 -0.4470 -0.2482 -0.2482 1.1670 1.1670 2.0344 2.0344 2.6142 2.6142 2.7761 2.7761 3.5111 3.5111 3.8336 3.8336 6.2068 6.2068 6.7304 6.7304 10.8715 10.8715 11.7573 11.7573 k = 0.4302 0.5000 0.3587 ( 4520 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3767 -18.3767 -18.3583 -18.3583 -9.0842 -9.0842 -3.7838 -3.7838 -0.4482 -0.4482 -0.2524 -0.2524 1.1647 1.1647 2.0384 2.0384 2.6230 2.6230 2.7788 2.7788 3.5099 3.5099 3.8597 3.8597 6.2085 6.2085 6.6868 6.6868 10.8467 10.8467 11.7560 11.7560 k = 0.4419 0.5000 0.3587 ( 4524 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3585 -18.3585 -9.0830 -9.0830 -3.7819 -3.7819 -0.4495 -0.4495 -0.2556 -0.2556 1.1627 1.1627 2.0418 2.0418 2.6301 2.6301 2.7814 2.7814 3.5090 3.5090 3.8838 3.8838 6.2051 6.2051 6.6533 6.6533 10.8255 10.8255 11.7544 11.7544 k = 0.4535 0.5000 0.3587 ( 4524 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3585 -18.3585 -9.0820 -9.0820 -3.7804 -3.7804 -0.4508 -0.4508 -0.2580 -0.2580 1.1610 1.1610 2.0446 2.0446 2.6356 2.6356 2.7835 2.7835 3.5083 3.5083 3.9049 3.9049 6.1978 6.1978 6.6291 6.6291 10.8080 10.8080 11.7527 11.7527 k = 0.4651 0.5000 0.3587 ( 4520 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0812 -9.0812 -3.7791 -3.7791 -0.4520 -0.4520 -0.2598 -0.2598 1.1597 1.1597 2.0468 2.0468 2.6398 2.6398 2.7853 2.7853 3.5079 3.5079 3.9224 3.9224 6.1888 6.1888 6.6128 6.6128 10.7944 10.7944 11.7511 11.7511 k = 0.4767 0.5000 0.3587 ( 4512 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0806 -9.0806 -3.7782 -3.7782 -0.4529 -0.4529 -0.2610 -0.2610 1.1587 1.1587 2.0484 2.0484 2.6427 2.6427 2.7866 2.7866 3.5076 3.5076 3.9354 3.9354 6.1804 6.1804 6.6027 6.6027 10.7846 10.7846 11.7497 11.7497 k = 0.4884 0.5000 0.3587 ( 4516 PWs) bands (ev): -46.4924 -46.4924 -18.5475 -18.5475 -18.3768 -18.3768 -18.3586 -18.3586 -9.0803 -9.0803 -3.7777 -3.7777 -0.4535 -0.4535 -0.2617 -0.2617 1.1581 1.1581 2.0493 2.0493 2.6443 2.6443 2.7873 2.7873 3.5075 3.5075 3.9434 3.9434 6.1745 6.1745 6.5972 6.5972 10.7787 10.7787 11.7489 11.7489 k = 0.5000 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5475 -18.5475 -18.3768 -18.3768 -18.3587 -18.3587 -9.0802 -9.0802 -3.7775 -3.7775 -0.4537 -0.4537 -0.2619 -0.2619 1.1579 1.1579 2.0496 2.0496 2.6449 2.6449 2.7876 2.7876 3.5074 3.5074 3.9462 3.9462 6.1724 6.1724 6.5955 6.5955 10.7767 10.7767 11.7486 11.7486 k = 0.5000 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5475 -18.5475 -18.3768 -18.3768 -18.3587 -18.3587 -9.0802 -9.0802 -3.7775 -3.7775 -0.4537 -0.4537 -0.2619 -0.2619 1.1579 1.1579 2.0496 2.0496 2.6449 2.6449 2.7876 2.7876 3.5074 3.5074 3.9462 3.9462 6.1724 6.1724 6.5955 6.5955 10.7767 10.7767 11.7486 11.7486 k = 0.4917 0.4917 0.3587 ( 4516 PWs) bands (ev): -46.4924 -46.4924 -18.5475 -18.5475 -18.3768 -18.3768 -18.3586 -18.3586 -9.0803 -9.0803 -3.7777 -3.7777 -0.4534 -0.4534 -0.2617 -0.2617 1.1581 1.1581 2.0493 2.0493 2.6443 2.6443 2.7873 2.7873 3.5075 3.5075 3.9434 3.9434 6.1746 6.1746 6.5973 6.5973 10.7787 10.7787 11.7489 11.7489 k = 0.4833 0.4833 0.3587 ( 4518 PWs) bands (ev): -46.4924 -46.4924 -18.5475 -18.5475 -18.3768 -18.3768 -18.3586 -18.3586 -9.0806 -9.0806 -3.7783 -3.7783 -0.4528 -0.4528 -0.2610 -0.2610 1.1587 1.1587 2.0484 2.0484 2.6426 2.6426 2.7865 2.7865 3.5076 3.5076 3.9350 3.9350 6.1812 6.1812 6.6024 6.6024 10.7848 10.7848 11.7492 11.7492 k = 0.4750 0.4750 0.3587 ( 4518 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0812 -9.0812 -3.7792 -3.7792 -0.4518 -0.4518 -0.2598 -0.2598 1.1597 1.1597 2.0467 2.0467 2.6398 2.6398 2.7851 2.7851 3.5079 3.5079 3.9213 3.9213 6.1920 6.1920 6.6109 6.6109 10.7948 10.7948 11.7483 11.7483 k = 0.4667 0.4667 0.3587 ( 4522 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3585 -18.3585 -9.0821 -9.0821 -3.7804 -3.7804 -0.4504 -0.4504 -0.2582 -0.2582 1.1611 1.1611 2.0445 2.0445 2.6359 2.6359 2.7831 2.7831 3.5083 3.5083 3.9024 3.9024 6.2070 6.2070 6.6227 6.6227 10.8087 10.8087 11.7434 11.7434 k = 0.4583 0.4583 0.3587 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3768 -18.3768 -18.3585 -18.3585 -9.0831 -9.0831 -3.7821 -3.7821 -0.4485 -0.4485 -0.2561 -0.2561 1.1628 1.1628 2.0416 2.0416 2.6309 2.6309 2.7804 2.7804 3.5089 3.5089 3.8789 3.8789 6.2260 6.2260 6.6377 6.6377 10.8263 10.8263 11.7309 11.7309 k = 0.4500 0.4500 0.3587 ( 4526 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3767 -18.3767 -18.3584 -18.3584 -9.0844 -9.0844 -3.7841 -3.7841 -0.4463 -0.4463 -0.2535 -0.2535 1.1649 1.1649 2.0380 2.0380 2.6248 2.6248 2.7770 2.7770 3.5096 3.5096 3.8511 3.8511 6.2488 6.2488 6.6558 6.6558 10.8475 10.8475 11.7075 11.7075 k = 0.4417 0.4417 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5473 -18.5473 -18.3767 -18.3767 -18.3582 -18.3582 -9.0860 -9.0860 -3.7864 -3.7864 -0.4437 -0.4437 -0.2504 -0.2504 1.1673 1.1673 2.0338 2.0338 2.6178 2.6178 2.7727 2.7727 3.5106 3.5106 3.8197 3.8197 6.2750 6.2750 6.6769 6.6769 10.8721 10.8721 11.6729 11.6729 k = 0.4333 0.4333 0.3587 ( 4524 PWs) bands (ev): -46.4924 -46.4924 -18.5472 -18.5472 -18.3767 -18.3767 -18.3581 -18.3581 -9.0878 -9.0878 -3.7891 -3.7891 -0.4407 -0.4407 -0.2468 -0.2468 1.1700 1.1700 2.0289 2.0289 2.6099 2.6099 2.7675 2.7675 3.5118 3.5118 3.7851 3.7851 6.3045 6.3045 6.7008 6.7008 10.8997 10.8997 11.6298 11.6298 k = 0.4250 0.4250 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5471 -18.5471 -18.3766 -18.3766 -18.3579 -18.3579 -9.0899 -9.0899 -3.7921 -3.7921 -0.4373 -0.4373 -0.2426 -0.2426 1.1729 1.1729 2.0234 2.0234 2.6010 2.6010 2.7611 2.7611 3.5133 3.5133 3.7480 3.7480 6.3370 6.3370 6.7274 6.7274 10.9301 10.9301 11.5814 11.5814 k = 0.4167 0.4167 0.3587 ( 4528 PWs) bands (ev): -46.4925 -46.4925 -18.5471 -18.5471 -18.3766 -18.3766 -18.3577 -18.3577 -9.0922 -9.0922 -3.7955 -3.7955 -0.4336 -0.4336 -0.2378 -0.2378 1.1761 1.1761 2.0173 2.0173 2.5914 2.5914 2.7534 2.7534 3.5152 3.5152 3.7091 3.7091 6.3723 6.3723 6.7566 6.7566 10.9629 10.9629 11.5301 11.5301 k = 0.4083 0.4083 0.3587 ( 4524 PWs) bands (ev): -46.4925 -46.4925 -18.5469 -18.5469 -18.3765 -18.3765 -18.3575 -18.3575 -9.0948 -9.0948 -3.7991 -3.7991 -0.4295 -0.4295 -0.2325 -0.2325 1.1795 1.1795 2.0106 2.0106 2.5811 2.5811 2.7442 2.7442 3.5173 3.5173 3.6691 3.6691 6.4101 6.4101 6.7882 6.7882 10.9977 10.9977 11.4774 11.4774 k = 0.4000 0.4000 0.3587 ( 4524 PWs) bands (ev): -46.4925 -46.4925 -18.5468 -18.5468 -18.3765 -18.3765 -18.3573 -18.3573 -9.0976 -9.0976 -3.8031 -3.8031 -0.4250 -0.4250 -0.2267 -0.2267 1.1830 1.1830 2.0032 2.0032 2.5700 2.5700 2.7332 2.7332 3.5199 3.5199 3.6287 3.6287 6.4502 6.4502 6.8221 6.8221 11.0339 11.0339 11.4244 11.4244 k = 0.3917 0.3917 0.3587 ( 4524 PWs) bands (ev): -46.4925 -46.4925 -18.5467 -18.5467 -18.3764 -18.3764 -18.3570 -18.3570 -9.1007 -9.1007 -3.8075 -3.8075 -0.4202 -0.4202 -0.2202 -0.2202 1.1866 1.1866 1.9951 1.9951 2.5582 2.5582 2.7204 2.7204 3.5228 3.5228 3.5887 3.5887 6.4924 6.4924 6.8583 6.8583 11.0710 11.0710 11.3716 11.3716 k = 0.3833 0.3833 0.3587 ( 4528 PWs) bands (ev): -46.4925 -46.4925 -18.5466 -18.5466 -18.3764 -18.3764 -18.3568 -18.3568 -9.1041 -9.1041 -3.8121 -3.8121 -0.4149 -0.4149 -0.2131 -0.2131 1.1902 1.1902 1.9865 1.9865 2.5459 2.5459 2.7053 2.7053 3.5257 3.5257 3.5500 3.5500 6.5364 6.5364 6.8966 6.8966 11.1083 11.1083 11.3195 11.3195 k = 0.3750 0.3750 0.3587 ( 4524 PWs) bands (ev): -46.4926 -46.4926 -18.5465 -18.5465 -18.3763 -18.3763 -18.3565 -18.3565 -9.1078 -9.1078 -3.8169 -3.8169 -0.4093 -0.4093 -0.2055 -0.2055 1.1939 1.1939 1.9772 1.9772 2.5328 2.5328 2.6879 2.6879 3.5109 3.5109 3.5313 3.5313 6.5821 6.5821 6.9370 6.9370 11.1446 11.1446 11.2687 11.2687 k = 0.3667 0.3667 0.3587 ( 4530 PWs) bands (ev): -46.4926 -46.4926 -18.5464 -18.5464 -18.3762 -18.3762 -18.3562 -18.3562 -9.1117 -9.1117 -3.8221 -3.8221 -0.4034 -0.4034 -0.1973 -0.1973 1.1975 1.1975 1.9672 1.9672 2.5190 2.5190 2.6680 2.6680 3.4764 3.4764 3.5352 3.5352 6.6293 6.6293 6.9795 6.9795 11.1761 11.1761 11.2227 11.2227 k = 0.3583 0.3583 0.3587 ( 4530 PWs) bands (ev): -46.4926 -46.4926 -18.5462 -18.5462 -18.3761 -18.3761 -18.3559 -18.3559 -9.1159 -9.1159 -3.8276 -3.8276 -0.3970 -0.3970 -0.1885 -0.1885 1.2010 1.2010 1.9566 1.9566 2.5043 2.5043 2.6459 2.6459 3.4443 3.4443 3.5400 3.5400 6.6777 6.6777 7.0238 7.0238 11.1608 11.1608 11.2225 11.2225 k = 0.3500 0.3500 0.3587 ( 4536 PWs) bands (ev): -46.4927 -46.4927 -18.5461 -18.5461 -18.3761 -18.3761 -18.3556 -18.3556 -9.1203 -9.1203 -3.8332 -3.8332 -0.3902 -0.3902 -0.1791 -0.1791 1.2044 1.2044 1.9453 1.9453 2.4883 2.4883 2.6218 2.6218 3.4154 3.4154 3.5454 3.5454 6.7273 6.7273 7.0702 7.0702 11.1149 11.1149 11.2513 11.2513 k = 0.3417 0.3417 0.3587 ( 4540 PWs) bands (ev): -46.4927 -46.4927 -18.5459 -18.5459 -18.3760 -18.3760 -18.3552 -18.3552 -9.1251 -9.1251 -3.8392 -3.8392 -0.3830 -0.3830 -0.1692 -0.1692 1.2076 1.2076 1.9334 1.9334 2.4704 2.4704 2.5964 2.5964 3.3900 3.3900 3.5514 3.5514 6.7778 6.7778 7.1184 7.1184 11.0680 11.0680 11.2785 11.2785 k = 0.3333 0.3333 0.3587 ( 4536 PWs) bands (ev): -46.4927 -46.4927 -18.5458 -18.5458 -18.3759 -18.3759 -18.3548 -18.3548 -9.1301 -9.1301 -3.8453 -3.8453 -0.3754 -0.3754 -0.1588 -0.1588 1.2106 1.2106 1.9207 1.9207 2.4497 2.4497 2.5709 2.5709 3.3683 3.3683 3.5579 3.5579 6.8292 6.8292 7.1684 7.1684 11.0219 11.0219 11.3016 11.3016 k = 0.3250 0.3250 0.3587 ( 4532 PWs) bands (ev): -46.4927 -46.4927 -18.5456 -18.5456 -18.3758 -18.3758 -18.3544 -18.3544 -9.1353 -9.1353 -3.8517 -3.8517 -0.3673 -0.3673 -0.1480 -0.1480 1.2133 1.2133 1.9073 1.9073 2.4253 2.4253 2.5467 2.5467 3.3503 3.3503 3.5650 3.5650 6.8813 6.8813 7.2202 7.2202 10.9767 10.9767 11.3195 11.3195 k = 0.3167 0.3167 0.3587 ( 4540 PWs) bands (ev): -46.4928 -46.4928 -18.5454 -18.5454 -18.3757 -18.3757 -18.3540 -18.3540 -9.1408 -9.1408 -3.8582 -3.8582 -0.3588 -0.3588 -0.1366 -0.1366 1.2157 1.2157 1.8932 1.8932 2.3963 2.3963 2.5250 2.5250 3.3358 3.3358 3.5726 3.5726 6.9341 6.9341 7.2737 7.2737 10.9325 10.9325 11.3313 11.3313 k = 0.3083 0.3083 0.3587 ( 4536 PWs) bands (ev): -46.4928 -46.4928 -18.5452 -18.5452 -18.3756 -18.3756 -18.3535 -18.3535 -9.1466 -9.1466 -3.8649 -3.8649 -0.3498 -0.3498 -0.1249 -0.1249 1.2178 1.2178 1.8781 1.8781 2.3627 2.3627 2.5064 2.5064 3.3248 3.3248 3.5807 3.5807 6.9876 6.9876 7.3289 7.3289 10.8895 10.8895 11.3365 11.3365 k = 0.3000 0.3000 0.3587 ( 4540 PWs) bands (ev): -46.4928 -46.4928 -18.5450 -18.5450 -18.3755 -18.3755 -18.3531 -18.3531 -9.1526 -9.1526 -3.8718 -3.8718 -0.3404 -0.3404 -0.1128 -0.1128 1.2195 1.2195 1.8622 1.8622 2.3251 2.3251 2.4908 2.4908 3.3168 3.3168 3.5894 3.5894 7.0415 7.0415 7.3855 7.3855 10.8475 10.8475 11.3345 11.3345 k = 0.2917 0.2917 0.3587 ( 4536 PWs) bands (ev): -46.4929 -46.4929 -18.5448 -18.5448 -18.3753 -18.3753 -18.3526 -18.3526 -9.1588 -9.1588 -3.8788 -3.8788 -0.3305 -0.3305 -0.1003 -0.1003 1.2209 1.2209 1.8454 1.8454 2.2847 2.2847 2.4777 2.4777 3.3117 3.3117 3.5986 3.5986 7.0960 7.0960 7.4437 7.4437 10.8065 10.8065 11.3252 11.3252 k = 0.2833 0.2833 0.3587 ( 4538 PWs) bands (ev): -46.4929 -46.4929 -18.5446 -18.5446 -18.3752 -18.3752 -18.3521 -18.3521 -9.1653 -9.1653 -3.8860 -3.8860 -0.3202 -0.3202 -0.0875 -0.0875 1.2218 1.2218 1.8274 1.8274 2.2425 2.2425 2.4666 2.4666 3.3092 3.3092 3.6082 3.6082 7.1511 7.1511 7.5031 7.5031 10.7666 10.7666 11.3083 11.3083 k = 0.2750 0.2750 0.3587 ( 4534 PWs) bands (ev): -46.4929 -46.4929 -18.5444 -18.5444 -18.3750 -18.3750 -18.3516 -18.3516 -9.1719 -9.1719 -3.8933 -3.8933 -0.3094 -0.3094 -0.0745 -0.0745 1.2223 1.2223 1.8083 1.8083 2.1994 2.1994 2.4572 2.4572 3.3090 3.3090 3.6184 3.6184 7.2067 7.2067 7.5636 7.5636 10.7277 10.7277 11.2842 11.2842 k = 0.2667 0.2667 0.3587 ( 4530 PWs) bands (ev): -46.4930 -46.4930 -18.5441 -18.5441 -18.3749 -18.3749 -18.3511 -18.3511 -9.1788 -9.1788 -3.9006 -3.9006 -0.2982 -0.2982 -0.0612 -0.0612 1.2225 1.2225 1.7879 1.7879 2.1562 2.1562 2.4492 2.4492 3.3108 3.3108 3.6290 3.6290 7.2628 7.2628 7.6252 7.6252 10.6898 10.6898 11.2531 11.2531 k = 0.2583 0.2583 0.3587 ( 4524 PWs) bands (ev): -46.4930 -46.4930 -18.5439 -18.5439 -18.3747 -18.3747 -18.3506 -18.3506 -9.1858 -9.1858 -3.9080 -3.9080 -0.2866 -0.2866 -0.0477 -0.0477 1.2223 1.2223 1.7662 1.7662 2.1134 2.1134 2.4424 2.4424 3.3145 3.3145 3.6400 3.6400 7.3195 7.3195 7.6876 7.6876 10.6528 10.6528 11.2156 11.2156 k = 0.2500 0.2500 0.3587 ( 4516 PWs) bands (ev): -46.4930 -46.4930 -18.5436 -18.5436 -18.3745 -18.3745 -18.3500 -18.3500 -9.1930 -9.1930 -3.9155 -3.9155 -0.2746 -0.2746 -0.0341 -0.0341 1.2217 1.2217 1.7429 1.7429 2.0718 2.0718 2.4366 2.4366 3.3198 3.3198 3.6514 3.6514 7.3767 7.3767 7.7507 7.7507 10.6168 10.6168 11.1722 11.1722 k = 0.2417 0.2417 0.3587 ( 4510 PWs) bands (ev): -46.4931 -46.4931 -18.5434 -18.5434 -18.3743 -18.3743 -18.3495 -18.3495 -9.2003 -9.2003 -3.9230 -3.9230 -0.2624 -0.2624 -0.0204 -0.0204 1.2208 1.2208 1.7181 1.7181 2.0316 2.0316 2.4319 2.4319 3.3266 3.3266 3.6632 3.6632 7.4346 7.4346 7.8143 7.8143 10.5816 10.5816 11.1236 11.1236 k = 0.2333 0.2333 0.3587 ( 4514 PWs) bands (ev): -46.4931 -46.4931 -18.5431 -18.5431 -18.3742 -18.3742 -18.3489 -18.3489 -9.2077 -9.2077 -3.9305 -3.9305 -0.2498 -0.2498 -0.0066 -0.0066 1.2197 1.2197 1.6917 1.6917 1.9932 1.9932 2.4281 2.4281 3.3346 3.3346 3.6754 3.6754 7.4930 7.4930 7.8783 7.8783 10.5472 10.5472 11.0706 11.0706 k = 0.2250 0.2250 0.3587 ( 4514 PWs) bands (ev): -46.4931 -46.4931 -18.5429 -18.5429 -18.3740 -18.3740 -18.3484 -18.3484 -9.2152 -9.2152 -3.9379 -3.9379 -0.2370 -0.2370 0.0072 0.0072 1.2182 1.2182 1.6638 1.6638 1.9568 1.9568 2.4252 2.4252 3.3437 3.3437 3.6878 3.6878 7.5520 7.5520 7.9424 7.9424 10.5135 10.5135 11.0137 11.0137 k = 0.2167 0.2167 0.3587 ( 4518 PWs) bands (ev): -46.4932 -46.4932 -18.5427 -18.5427 -18.3738 -18.3738 -18.3478 -18.3478 -9.2228 -9.2228 -3.9454 -3.9454 -0.2239 -0.2239 0.0210 0.0210 1.2165 1.2165 1.6346 1.6346 1.9225 1.9225 2.4230 2.4230 3.3539 3.3539 3.7005 3.7005 7.6116 7.6116 8.0065 8.0065 10.4806 10.4806 10.9538 10.9538 k = 0.2083 0.2083 0.3587 ( 4518 PWs) bands (ev): -46.4932 -46.4932 -18.5425 -18.5425 -18.3737 -18.3737 -18.3473 -18.3473 -9.2304 -9.2304 -3.9528 -3.9528 -0.2108 -0.2108 0.0347 0.0347 1.2147 1.2147 1.6043 1.6043 1.8902 1.8902 2.4216 2.4216 3.3649 3.3649 3.7134 3.7134 7.6717 7.6717 8.0705 8.0705 10.4484 10.4484 10.8914 10.8914 k = 0.2000 0.2000 0.3587 ( 4518 PWs) bands (ev): -46.4933 -46.4933 -18.5422 -18.5422 -18.3735 -18.3735 -18.3467 -18.3467 -9.2380 -9.2380 -3.9601 -3.9601 -0.1976 -0.1976 0.0484 0.0484 1.2128 1.2128 1.5733 1.5733 1.8599 1.8599 2.4209 2.4209 3.3766 3.3766 3.7265 3.7265 7.7323 7.7323 8.1342 8.1342 10.4168 10.4168 10.8272 10.8272 k = 0.1917 0.1917 0.3587 ( 4514 PWs) bands (ev): -46.4933 -46.4933 -18.5420 -18.5420 -18.3733 -18.3733 -18.3462 -18.3462 -9.2456 -9.2456 -3.9673 -3.9673 -0.1844 -0.1844 0.0619 0.0619 1.2108 1.2108 1.5418 1.5418 1.8312 1.8312 2.4207 2.4207 3.3890 3.3890 3.7397 3.7397 7.7933 7.7933 8.1973 8.1973 10.3858 10.3858 10.7617 10.7617 k = 0.1833 0.1833 0.3587 ( 4510 PWs) bands (ev): -46.4933 -46.4933 -18.5417 -18.5417 -18.3731 -18.3731 -18.3456 -18.3456 -9.2532 -9.2532 -3.9744 -3.9744 -0.1713 -0.1713 0.0753 0.0753 1.2087 1.2087 1.5103 1.5103 1.8040 1.8040 2.4211 2.4211 3.4018 3.4018 3.7531 3.7531 7.8547 7.8547 8.2598 8.2598 10.3553 10.3553 10.6956 10.6956 k = 0.1750 0.1750 0.3587 ( 4498 PWs) bands (ev): -46.4933 -46.4933 -18.5415 -18.5415 -18.3729 -18.3729 -18.3450 -18.3450 -9.2607 -9.2607 -3.9814 -3.9814 -0.1584 -0.1584 0.0885 0.0885 1.2068 1.2068 1.4792 1.4792 1.7780 1.7780 2.4219 2.4219 3.4151 3.4151 3.7664 3.7664 7.9163 7.9163 8.3214 8.3214 10.3253 10.3253 10.6292 10.6292 k = 0.1667 0.1667 0.3587 ( 4506 PWs) bands (ev): -46.4934 -46.4934 -18.5413 -18.5413 -18.3727 -18.3727 -18.3445 -18.3445 -9.2681 -9.2681 -3.9882 -3.9882 -0.1457 -0.1457 0.1015 0.1015 1.2049 1.2049 1.4487 1.4487 1.7531 1.7531 2.4232 2.4232 3.4287 3.4287 3.7798 3.7798 7.9781 7.9781 8.3821 8.3821 10.2956 10.2956 10.5631 10.5631 k = 0.1583 0.1583 0.3587 ( 4514 PWs) bands (ev): -46.4934 -46.4934 -18.5411 -18.5411 -18.3726 -18.3726 -18.3441 -18.3441 -9.2754 -9.2754 -3.9948 -3.9948 -0.1333 -0.1333 0.1142 0.1142 1.2031 1.2031 1.4192 1.4192 1.7291 1.7291 2.4249 2.4249 3.4425 3.4425 3.7931 3.7931 8.0398 8.0398 8.4416 8.4416 10.2663 10.2663 10.4977 10.4977 k = 0.1500 0.1500 0.3587 ( 4514 PWs) bands (ev): -46.4934 -46.4934 -18.5409 -18.5409 -18.3724 -18.3724 -18.3435 -18.3435 -9.2825 -9.2825 -4.0012 -4.0012 -0.1213 -0.1213 0.1266 0.1266 1.2016 1.2016 1.3909 1.3909 1.7058 1.7058 2.4268 2.4268 3.4564 3.4564 3.8062 3.8062 8.1014 8.1014 8.4998 8.4998 10.2373 10.2373 10.4333 10.4333 k = 0.1417 0.1417 0.3587 ( 4510 PWs) bands (ev): -46.4935 -46.4935 -18.5406 -18.5406 -18.3722 -18.3722 -18.3430 -18.3430 -9.2894 -9.2894 -4.0074 -4.0074 -0.1097 -0.1097 0.1387 0.1387 1.2002 1.2002 1.3640 1.3640 1.6832 1.6832 2.4289 2.4289 3.4703 3.4703 3.8192 3.8192 8.1626 8.1626 8.5566 8.5566 10.2086 10.2086 10.3704 10.3704 k = 0.1333 0.1333 0.3587 ( 4500 PWs) bands (ev): -46.4935 -46.4935 -18.5404 -18.5404 -18.3720 -18.3720 -18.3425 -18.3425 -9.2961 -9.2961 -4.0134 -4.0134 -0.0987 -0.0987 0.1505 0.1505 1.1991 1.1991 1.3387 1.3387 1.6611 1.6611 2.4313 2.4313 3.4841 3.4841 3.8319 3.8319 8.2233 8.2233 8.6118 8.6118 10.1801 10.1801 10.3093 10.3093 k = 0.1250 0.1250 0.3587 ( 4504 PWs) bands (ev): -46.4935 -46.4935 -18.5402 -18.5402 -18.3718 -18.3718 -18.3421 -18.3421 -9.3025 -9.3025 -4.0191 -4.0191 -0.0882 -0.0882 0.1618 0.1618 1.1983 1.1983 1.3151 1.3151 1.6396 1.6396 2.4337 2.4337 3.4976 3.4976 3.8444 3.8444 8.2831 8.2831 8.6652 8.6652 10.1517 10.1517 10.2502 10.2502 k = 0.1167 0.1167 0.3587 ( 4512 PWs) bands (ev): -46.4935 -46.4935 -18.5401 -18.5401 -18.3717 -18.3717 -18.3417 -18.3417 -9.3087 -9.3087 -4.0245 -4.0245 -0.0784 -0.0784 0.1727 0.1727 1.1976 1.1976 1.2934 1.2934 1.6186 1.6186 2.4362 2.4362 3.5109 3.5109 3.8564 3.8564 8.3418 8.3418 8.7169 8.7169 10.1235 10.1235 10.1936 10.1936 k = 0.1083 0.1083 0.3587 ( 4512 PWs) bands (ev): -46.4936 -46.4936 -18.5399 -18.5399 -18.3715 -18.3715 -18.3413 -18.3413 -9.3146 -9.3146 -4.0296 -4.0296 -0.0692 -0.0692 0.1831 0.1831 1.1971 1.1971 1.2739 1.2739 1.5981 1.5981 2.4388 2.4388 3.5237 3.5237 3.8681 3.8681 8.3990 8.3990 8.7666 8.7666 10.0954 10.0954 10.1397 10.1397 k = 0.1000 0.1000 0.3587 ( 4508 PWs) bands (ev): -46.4936 -46.4936 -18.5397 -18.5397 -18.3714 -18.3714 -18.3409 -18.3409 -9.3202 -9.3202 -4.0344 -4.0344 -0.0607 -0.0607 0.1929 0.1929 1.1965 1.1965 1.2566 1.2566 1.5782 1.5782 2.4413 2.4413 3.5360 3.5360 3.8792 3.8792 8.4545 8.4545 8.8142 8.8142 10.0675 10.0675 10.0887 10.0887 k = 0.0917 0.0917 0.3587 ( 4508 PWs) bands (ev): -46.4936 -46.4936 -18.5396 -18.5396 -18.3712 -18.3712 -18.3405 -18.3405 -9.3254 -9.3254 -4.0389 -4.0389 -0.0530 -0.0530 0.2022 0.2022 1.1954 1.1954 1.2422 1.2422 1.5589 1.5589 2.4438 2.4438 3.5478 3.5478 3.8897 3.8897 8.5079 8.5079 8.8597 8.8597 10.0395 10.0395 10.0412 10.0412 k = 0.0833 0.0833 0.3587 ( 4508 PWs) bands (ev): -46.4936 -46.4936 -18.5394 -18.5394 -18.3711 -18.3711 -18.3401 -18.3401 -9.3302 -9.3302 -4.0431 -4.0431 -0.0460 -0.0460 0.2108 0.2108 1.1930 1.1930 1.2314 1.2314 1.5403 1.5403 2.4462 2.4462 3.5588 3.5588 3.8997 3.8997 8.5586 8.5586 8.9031 8.9031 9.9965 9.9965 10.0125 10.0125 k = 0.0750 0.0750 0.3587 ( 4506 PWs) bands (ev): -46.4936 -46.4936 -18.5393 -18.5393 -18.3710 -18.3710 -18.3398 -18.3398 -9.3347 -9.3347 -4.0469 -4.0469 -0.0397 -0.0397 0.2188 0.2188 1.1883 1.1883 1.2250 1.2250 1.5224 1.5224 2.4485 2.4485 3.5691 3.5691 3.9089 3.9089 8.6064 8.6064 8.9440 8.9440 9.9558 9.9558 9.9856 9.9856 k = 0.0667 0.0667 0.3587 ( 4506 PWs) bands (ev): -46.4937 -46.4937 -18.5392 -18.5392 -18.3709 -18.3709 -18.3395 -18.3395 -9.3387 -9.3387 -4.0503 -4.0503 -0.0341 -0.0341 0.2260 0.2260 1.1817 1.1817 1.2227 1.2227 1.5054 1.5054 2.4506 2.4506 3.5785 3.5785 3.9173 3.9173 8.6506 8.6506 8.9825 8.9825 9.9189 9.9189 9.9593 9.9593 k = 0.0583 0.0583 0.3587 ( 4514 PWs) bands (ev): -46.4937 -46.4937 -18.5391 -18.5391 -18.3708 -18.3708 -18.3393 -18.3393 -9.3423 -9.3423 -4.0534 -4.0534 -0.0293 -0.0293 0.2325 0.2325 1.1744 1.1744 1.2231 1.2231 1.4895 1.4895 2.4525 2.4525 3.5870 3.5870 3.9250 3.9250 8.6908 8.6908 9.0183 9.0183 9.8860 9.8860 9.9339 9.9339 k = 0.0500 0.0500 0.3587 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5390 -18.5390 -18.3707 -18.3707 -18.3391 -18.3391 -9.3455 -9.3455 -4.0561 -4.0561 -0.0251 -0.0251 0.2381 0.2381 1.1675 1.1675 1.2249 1.2249 1.4748 1.4748 2.4542 2.4542 3.5945 3.5945 3.9317 3.9317 8.7266 8.7266 9.0512 9.0512 9.8573 9.8573 9.9099 9.9099 k = 0.0417 0.0417 0.3587 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5389 -18.5389 -18.3706 -18.3706 -18.3389 -18.3389 -9.3482 -9.3482 -4.0583 -4.0583 -0.0216 -0.0216 0.2430 0.2430 1.1613 1.1613 1.2275 1.2275 1.4616 1.4616 2.4557 2.4557 3.6010 3.6010 3.9375 3.9375 8.7576 8.7576 9.0807 9.0807 9.8328 9.8328 9.8878 9.8878 k = 0.0333 0.0333 0.3587 ( 4518 PWs) bands (ev): -46.4937 -46.4937 -18.5389 -18.5389 -18.3706 -18.3706 -18.3387 -18.3387 -9.3504 -9.3504 -4.0602 -4.0602 -0.0188 -0.0188 0.2470 0.2470 1.1563 1.1563 1.2303 1.2303 1.4502 1.4502 2.4569 2.4569 3.6063 3.6063 3.9423 3.9423 8.7833 8.7833 9.1062 9.1062 9.8127 9.8127 9.8681 9.8681 k = 0.0250 0.0250 0.3587 ( 4510 PWs) bands (ev): -46.4937 -46.4937 -18.5388 -18.5388 -18.3705 -18.3705 -18.3386 -18.3386 -9.3522 -9.3522 -4.0617 -4.0617 -0.0167 -0.0167 0.2501 0.2501 1.1523 1.1523 1.2330 1.2330 1.4408 1.4408 2.4579 2.4579 3.6105 3.6105 3.9461 3.9461 8.8036 8.8036 9.1272 9.1272 9.7971 9.7971 9.8515 9.8515 k = 0.0167 0.0167 0.3587 ( 4506 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3385 -18.3385 -9.3534 -9.3534 -4.0627 -4.0627 -0.0151 -0.0151 0.2524 0.2524 1.1495 1.1495 1.2352 1.2352 1.4338 1.4338 2.4586 2.4586 3.6135 3.6135 3.9488 3.9488 8.8183 8.8183 9.1429 9.1429 9.7859 9.7859 9.8390 9.8390 k = 0.0083 0.0083 0.3587 ( 4506 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3542 -9.3542 -4.0633 -4.0633 -0.0142 -0.0142 0.2537 0.2537 1.1478 1.1478 1.2367 1.2367 1.4294 1.4294 2.4590 2.4590 3.6154 3.6154 3.9505 3.9505 8.8271 8.8271 9.1527 9.1527 9.7793 9.7793 9.8311 9.8311 k = 0.0000 0.0000 0.3587 ( 4506 PWs) bands (ev): -46.4937 -46.4937 -18.5387 -18.5387 -18.3705 -18.3705 -18.3384 -18.3384 -9.3544 -9.3544 -4.0636 -4.0636 -0.0139 -0.0139 0.2542 0.2542 1.1472 1.1472 1.2373 1.2373 1.4279 1.4279 2.4592 2.4592 3.6160 3.6160 3.9510 3.9510 8.8300 8.8300 9.1560 9.1560 9.7770 9.7770 9.8284 9.8284 k = 0.0000 0.5000-0.0000 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3434 -9.3434 -2.3724 -2.3724 -0.6001 -0.6001 0.5018 0.5018 0.6035 0.6035 0.6276 0.6276 1.7397 1.7397 2.1849 2.1849 2.2467 2.2467 3.2970 3.2970 7.3726 7.3726 9.6173 9.6173 11.5284 11.5284 12.0203 12.0203 k = 0.0000 0.5000 0.0116 ( 4538 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3430 -9.3430 -2.3802 -2.3802 -0.5910 -0.5910 0.4728 0.4728 0.6024 0.6024 0.6578 0.6578 1.7354 1.7354 2.1847 2.1847 2.2547 2.2547 3.2969 3.2969 7.3666 7.3666 9.6220 9.6220 11.5218 11.5218 12.0177 12.0177 k = 0.0000 0.5000 0.0231 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3417 -9.3417 -2.4032 -2.4032 -0.5643 -0.5643 0.4177 0.4177 0.5995 0.5995 0.7161 0.7161 1.7235 1.7235 2.1845 2.1845 2.2775 2.2775 3.2966 3.2966 7.3488 7.3488 9.6359 9.6359 11.5022 11.5022 12.0101 12.0101 k = 0.0000 0.5000 0.0347 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3396 -9.3396 -2.4399 -2.4399 -0.5215 -0.5215 0.3577 0.3577 0.5947 0.5947 0.7812 0.7812 1.7061 1.7061 2.1848 2.1848 2.3124 2.3124 3.2961 3.2961 7.3196 7.3196 9.6586 9.6586 11.4700 11.4700 11.9976 11.9976 k = 0.0000 0.5000 0.0463 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3367 -9.3367 -2.4882 -2.4882 -0.4648 -0.4648 0.2975 0.2975 0.5882 0.5882 0.8481 0.8481 1.6861 1.6861 2.1857 2.1857 2.3567 2.3567 3.2953 3.2953 7.2798 7.2798 9.6895 9.6895 11.4261 11.4261 11.9803 11.9803 k = 0.0000 0.5000 0.0578 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3466 -18.3466 -9.3329 -9.3329 -2.5460 -2.5460 -0.3966 -0.3966 0.2385 0.2385 0.5800 0.5800 0.9150 0.9150 1.6662 1.6662 2.1873 2.1873 2.4085 2.4085 3.2944 3.2944 7.2302 7.2302 9.7279 9.7279 11.3712 11.3712 11.9584 11.9584 k = 0.0000 0.5000 0.0694 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3284 -9.3284 -2.6110 -2.6110 -0.3197 -0.3197 0.1816 0.1816 0.5704 0.5704 0.9802 0.9802 1.6485 1.6485 2.1895 2.1895 2.4658 2.4658 3.2933 3.2933 7.1718 7.1718 9.7730 9.7730 11.3065 11.3065 11.9323 11.9323 k = 0.0000 0.5000 0.0810 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3232 -9.3232 -2.6815 -2.6815 -0.2370 -0.2370 0.1279 0.1279 0.5596 0.5596 1.0423 1.0423 1.6355 1.6355 2.1924 2.1924 2.5275 2.5275 3.2920 3.2920 7.1056 7.1056 9.8239 9.8239 11.2332 11.2332 11.9021 11.9021 k = 0.0000 0.5000 0.0926 ( 4532 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3173 -9.3173 -2.7556 -2.7556 -0.1536 -0.1536 0.0806 0.0806 0.5482 0.5482 1.0992 1.0992 1.6294 1.6294 2.1962 2.1962 2.5925 2.5925 3.2906 3.2906 7.0326 7.0326 9.8798 9.8798 11.1524 11.1524 11.8682 11.8682 k = 0.0000 0.5000 0.1041 ( 4532 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3107 -9.3107 -2.8320 -2.8320 -0.0859 -0.0859 0.0542 0.0542 0.5368 0.5368 1.1484 1.1484 1.6327 1.6327 2.2010 2.2010 2.6600 2.6600 3.2891 3.2891 6.9538 6.9538 9.9402 9.9402 11.0655 11.0655 11.8308 11.8308 k = 0.0000 0.5000 0.1157 ( 4532 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.3036 -9.3036 -2.9096 -2.9096 -0.0775 -0.0775 0.0900 0.0900 0.5268 0.5268 1.1878 1.1878 1.6473 1.6473 2.2072 2.2072 2.7294 2.7294 3.2877 3.2877 6.8699 6.8699 10.0044 10.0044 10.9736 10.9736 11.7903 11.7903 k = 0.0000 0.5000 0.1273 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2960 -9.2960 -2.9875 -2.9875 -0.1110 -0.1110 0.1670 0.1670 0.5209 0.5209 1.2162 1.2162 1.6738 1.6738 2.2151 2.2151 2.8001 2.8001 3.2863 3.2863 6.7818 6.7818 10.0719 10.0719 10.8777 10.8777 11.7470 11.7470 k = 0.0000 0.5000 0.1388 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2879 -9.2879 -3.0648 -3.0648 -0.1526 -0.1526 0.2450 0.2450 0.5250 0.5250 1.2343 1.2343 1.7109 1.7109 2.2254 2.2254 2.8714 2.8714 3.2851 3.2851 6.6902 6.6902 10.1422 10.1422 10.7791 10.7791 11.7011 11.7011 k = 0.0000 0.5000 0.1504 ( 4538 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2794 -9.2794 -3.1409 -3.1409 -0.1949 -0.1949 0.3047 0.3047 0.5504 0.5504 1.2439 1.2439 1.7552 1.7552 2.2388 2.2388 2.9428 2.9428 3.2846 3.2846 6.5959 6.5959 10.2151 10.2151 10.6787 10.6787 11.6529 11.6529 k = 0.0000 0.5000 0.1620 ( 4540 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2707 -9.2707 -3.2153 -3.2153 -0.2360 -0.2360 0.3347 0.3347 0.6064 0.6064 1.2476 1.2476 1.8030 1.8030 2.2564 2.2564 3.0133 3.0133 3.2850 3.2850 6.4994 6.4994 10.2902 10.2902 10.5774 10.5774 11.6029 11.6029 k = 0.0000 0.5000 0.1735 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2617 -9.2617 -3.2875 -3.2875 -0.2755 -0.2755 0.3407 0.3407 0.6862 0.6862 1.2476 1.2476 1.8504 1.8504 2.2793 2.2793 3.0816 3.0816 3.2876 3.2876 6.4013 6.4013 10.3670 10.3670 10.4765 10.4765 11.5514 11.5514 k = 0.0000 0.5000 0.1851 ( 4526 PWs) bands (ev): -46.4930 -46.4930 -18.5451 -18.5451 -18.3794 -18.3794 -18.3464 -18.3464 -9.2526 -9.2526 -3.3571 -3.3571 -0.3130 -0.3130 0.3344 0.3344 0.7774 0.7774 1.2452 1.2452 1.8941 1.8941 2.3086 2.3086 3.1450 3.1450 3.2948 3.2948 6.3023 6.3023 10.3748 10.3748 10.4474 10.4474 11.4988 11.4988 k = 0.0000 0.5000 0.1967 ( 4526 PWs) bands (ev): -46.4930 -46.4930 -18.5451 -18.5451 -18.3794 -18.3794 -18.3464 -18.3464 -9.2435 -9.2435 -3.4237 -3.4237 -0.3483 -0.3483 0.3227 0.3227 0.8729 0.8729 1.2417 1.2417 1.9317 1.9317 2.3450 2.3450 3.1972 3.1972 3.3128 3.3128 6.2029 6.2029 10.2768 10.2768 10.5273 10.5273 11.4456 11.4456 k = 0.0000 0.5000 0.2083 ( 4534 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2345 -9.2345 -3.4869 -3.4869 -0.3813 -0.3813 0.3085 0.3085 0.9691 0.9691 1.2375 1.2375 1.9621 1.9621 2.3881 2.3881 3.2300 3.2300 3.3495 3.3495 6.1037 6.1037 10.1808 10.1808 10.6091 10.6091 11.3923 11.3923 k = 0.0000 0.5000 0.2198 ( 4542 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3795 -18.3795 -18.3465 -18.3465 -9.2256 -9.2256 -3.5466 -3.5466 -0.4121 -0.4121 0.2933 0.2933 1.0641 1.0641 1.2333 1.2333 1.9854 1.9854 2.4363 2.4363 3.2469 3.2469 3.4014 3.4014 6.0054 6.0054 10.0881 10.0881 10.6922 10.6922 11.3395 11.3395 k = 0.0000 0.5000 0.2314 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2170 -9.2170 -3.6025 -3.6025 -0.4405 -0.4405 0.2781 0.2781 1.1563 1.1563 1.2296 1.2296 2.0024 2.0024 2.4874 2.4874 3.2577 3.2577 3.4589 3.4589 5.9086 5.9086 9.9993 9.9993 10.7760 10.7760 11.2880 11.2880 k = 0.0000 0.5000 0.2430 ( 4540 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3795 -18.3795 -18.3465 -18.3465 -9.2088 -9.2088 -3.6543 -3.6543 -0.4665 -0.4665 0.2633 0.2633 1.2214 1.2214 1.2500 1.2500 2.0143 2.0143 2.5389 2.5389 3.2676 3.2676 3.5165 3.5165 5.8141 5.8141 9.9153 9.9153 10.8602 10.8602 11.2387 11.2387 k = 0.0000 0.5000 0.2545 ( 4536 PWs) bands (ev): -46.4931 -46.4931 -18.5452 -18.5452 -18.3794 -18.3794 -18.3465 -18.3465 -9.2010 -9.2010 -3.7018 -3.7018 -0.4901 -0.4901 0.2492 0.2492 1.2200 1.2200 1.3331 1.3331 2.0219 2.0219 2.5885 2.5885 3.2791 3.2791 3.5721 3.5721 5.7226 5.7226 9.8367 9.8367 10.9432 10.9432 11.1933 11.1933 k = 0.0000 0.5000 0.2661 ( 4534 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3464 -18.3464 -9.1937 -9.1937 -3.7448 -3.7448 -0.5113 -0.5113 0.2362 0.2362 1.2169 1.2169 1.4136 1.4136 2.0260 2.0260 2.6340 2.6340 3.2932 3.2932 3.6244 3.6244 5.6351 5.6351 9.7643 9.7643 11.0200 11.0200 11.1574 11.1574 k = 0.0000 0.5000 0.2777 ( 4524 PWs) bands (ev): -46.4930 -46.4930 -18.5451 -18.5451 -18.3794 -18.3794 -18.3464 -18.3464 -9.1871 -9.1871 -3.7831 -3.7831 -0.5300 -0.5300 0.2243 0.2243 1.2140 1.2140 1.4889 1.4889 2.0272 2.0272 2.6739 2.6739 3.3104 3.3104 3.6726 3.6726 5.5527 5.5527 9.6986 9.6986 11.0604 11.0604 11.1611 11.1611 k = 0.0000 0.5000 0.2892 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3794 -18.3794 -18.3464 -18.3464 -9.1811 -9.1811 -3.8167 -3.8167 -0.5463 -0.5463 0.2138 0.2138 1.2115 1.2115 1.5582 1.5582 2.0258 2.0258 2.7071 2.7071 3.3303 3.3303 3.7160 3.7160 5.4765 5.4765 9.6402 9.6402 11.0436 11.0436 11.2250 11.2250 k = 0.0000 0.5000 0.3008 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3795 -18.3795 -18.3464 -18.3464 -9.1760 -9.1760 -3.8453 -3.8453 -0.5600 -0.5600 0.2047 0.2047 1.2094 1.2094 1.6207 1.6207 2.0220 2.0220 2.7335 2.7335 3.3520 3.3520 3.7540 3.7540 5.4081 5.4081 9.5898 9.5898 11.0156 11.0156 11.3026 11.3026 k = 0.0000 0.5000 0.3124 ( 4532 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3795 -18.3795 -18.3464 -18.3464 -9.1717 -9.1717 -3.8689 -3.8689 -0.5713 -0.5713 0.1971 0.1971 1.2076 1.2076 1.6756 1.6756 2.0163 2.0163 2.7534 2.7534 3.3739 3.3739 3.7861 3.7861 5.3488 5.3488 9.5478 9.5478 10.9897 10.9897 11.3791 11.3791 k = 0.0000 0.5000 0.3239 ( 4516 PWs) bands (ev): -46.4930 -46.4930 -18.5451 -18.5451 -18.3794 -18.3794 -18.3463 -18.3463 -9.1682 -9.1682 -3.8873 -3.8873 -0.5801 -0.5801 0.1912 0.1912 1.2063 1.2063 1.7218 1.7218 2.0091 2.0091 2.7674 2.7674 3.3941 3.3941 3.8118 3.8118 5.3004 5.3004 9.5147 9.5147 10.9685 10.9685 11.4494 11.4494 k = 0.0000 0.5000 0.3355 ( 4512 PWs) bands (ev): -46.4930 -46.4930 -18.5451 -18.5451 -18.3794 -18.3794 -18.3463 -18.3463 -9.1658 -9.1658 -3.9005 -3.9005 -0.5864 -0.5864 0.1869 0.1869 1.2053 1.2053 1.7577 1.7577 2.0015 2.0015 2.7766 2.7766 3.4103 3.4103 3.8305 3.8305 5.2644 5.2644 9.4907 9.4907 10.9529 10.9529 11.5080 11.5080 k = 0.0000 0.5000 0.3471 ( 4520 PWs) bands (ev): -46.4930 -46.4930 -18.5451 -18.5451 -18.3794 -18.3794 -18.3463 -18.3463 -9.1643 -9.1643 -3.9085 -3.9085 -0.5901 -0.5901 0.1843 0.1843 1.2047 1.2047 1.7809 1.7809 1.9954 1.9954 2.7818 2.7818 3.4208 3.4208 3.8419 3.8419 5.2422 5.2422 9.4762 9.4762 10.9433 10.9433 11.5481 11.5481 k = 0.0000 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4930 -46.4930 -18.5452 -18.5452 -18.3795 -18.3795 -18.3463 -18.3463 -9.1638 -9.1638 -3.9111 -3.9111 -0.5914 -0.5914 0.1835 0.1835 1.2046 1.2046 1.7890 1.7890 1.9930 1.9930 2.7834 2.7834 3.4244 3.4244 3.8458 3.8458 5.2346 5.2346 9.4714 9.4714 10.9401 10.9401 11.5625 11.5625 k = 0.5000 0.5000-0.0000 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3766 -18.3766 -18.3587 -18.3587 -9.2547 -9.2547 -2.3242 -2.3242 -0.3255 -0.3255 0.5013 0.5013 0.5388 0.5388 1.0544 1.0544 1.1008 1.1008 1.6132 1.6132 2.6931 2.6931 4.1426 4.1426 8.9396 8.9396 9.6344 9.6344 10.0146 10.0146 10.0973 10.0973 k = 0.5000 0.5000 0.0116 ( 4512 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2543 -9.2543 -2.3311 -2.3311 -0.3173 -0.3173 0.4929 0.4929 0.5340 0.5340 1.0649 1.0649 1.1018 1.1018 1.6189 1.6189 2.6932 2.6932 4.1421 4.1421 8.9226 8.9226 9.6028 9.6028 10.0311 10.0311 10.1146 10.1146 k = 0.5000 0.5000 0.0231 ( 4512 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2531 -9.2531 -2.3512 -2.3512 -0.2932 -0.2932 0.4696 0.4696 0.5201 0.5201 1.0944 1.0944 1.1045 1.1045 1.6357 1.6357 2.6936 2.6936 4.1408 4.1408 8.8745 8.8745 9.5234 9.5234 10.0776 10.0776 10.1465 10.1465 k = 0.5000 0.5000 0.0347 ( 4504 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3765 -18.3765 -18.3586 -18.3586 -9.2510 -9.2510 -2.3836 -2.3836 -0.2544 -0.2544 0.4353 0.4353 0.4982 0.4982 1.1084 1.1084 1.1390 1.1390 1.6630 1.6630 2.6942 2.6942 4.1385 4.1385 8.8017 8.8017 9.4190 9.4190 10.1477 10.1477 10.1706 10.1706 k = 0.5000 0.5000 0.0463 ( 4504 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3765 -18.3765 -18.3586 -18.3586 -9.2482 -9.2482 -2.4267 -2.4267 -0.2027 -0.2027 0.3946 0.3946 0.4696 0.4696 1.1128 1.1128 1.1947 1.1947 1.7000 1.7000 2.6952 2.6952 4.1353 4.1353 8.7115 8.7115 9.3022 9.3022 10.1870 10.1870 10.2343 10.2343 k = 0.5000 0.5000 0.0578 ( 4504 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2445 -9.2445 -2.4788 -2.4788 -0.1406 -0.1406 0.3509 0.3509 0.4361 0.4361 1.1174 1.1174 1.2583 1.2583 1.7455 1.7455 2.6964 2.6964 4.1312 4.1312 8.6091 8.6091 9.1787 9.1787 10.2002 10.2002 10.3319 10.3319 k = 0.5000 0.5000 0.0694 ( 4496 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3765 -18.3765 -18.3586 -18.3586 -9.2401 -9.2401 -2.5380 -2.5380 -0.0712 -0.0712 0.3080 0.3080 0.3989 0.3989 1.1217 1.1217 1.3276 1.3276 1.7982 1.7982 2.6980 2.6980 4.1262 4.1262 8.4987 8.4987 9.0516 9.0516 10.2128 10.2128 10.4367 10.4367 k = 0.5000 0.5000 0.0810 ( 4496 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3765 -18.3765 -18.3586 -18.3586 -9.2350 -9.2350 -2.6027 -2.6027 -0.0007 -0.0007 0.2714 0.2714 0.3593 0.3593 1.1257 1.1257 1.4010 1.4010 1.8571 1.8571 2.7001 2.7001 4.1203 4.1203 8.3828 8.3828 8.9221 8.9221 10.2260 10.2260 10.5460 10.5460 k = 0.5000 0.5000 0.0926 ( 4496 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3765 -18.3765 -18.3586 -18.3586 -9.2293 -9.2293 -2.6714 -2.6714 0.0560 0.0560 0.2555 0.2555 0.3182 0.3182 1.1293 1.1293 1.4777 1.4777 1.9209 1.9209 2.7027 2.7027 4.1134 4.1134 8.2633 8.2633 8.7914 8.7914 10.2403 10.2403 10.6581 10.6581 k = 0.5000 0.5000 0.1041 ( 4480 PWs) bands (ev): -46.4923 -46.4923 -18.5472 -18.5472 -18.3765 -18.3765 -18.3586 -18.3586 -9.2229 -9.2229 -2.7427 -2.7427 0.0714 0.0714 0.2765 0.2765 0.2871 0.2871 1.1324 1.1324 1.5568 1.5568 1.9887 1.9887 2.7060 2.7060 4.1057 4.1057 8.1415 8.1415 8.6601 8.6601 10.2558 10.2558 10.7716 10.7716 k = 0.5000 0.5000 0.1157 ( 4480 PWs) bands (ev): -46.4923 -46.4923 -18.5472 -18.5472 -18.3765 -18.3765 -18.3586 -18.3586 -9.2159 -9.2159 -2.8156 -2.8156 0.0492 0.0492 0.2347 0.2347 0.3615 0.3615 1.1352 1.1352 1.6376 1.6376 2.0593 2.0593 2.7102 2.7102 4.0971 4.0971 8.0183 8.0183 8.5286 8.5286 10.2728 10.2728 10.8857 10.8857 k = 0.5000 0.5000 0.1273 ( 4480 PWs) bands (ev): -46.4923 -46.4923 -18.5472 -18.5472 -18.3765 -18.3765 -18.3586 -18.3586 -9.2085 -9.2085 -2.8891 -2.8891 0.0133 0.0133 0.1933 0.1933 0.4543 0.4543 1.1377 1.1377 1.7198 1.7198 2.1320 2.1320 2.7157 2.7157 4.0877 4.0877 7.8946 7.8946 8.3975 8.3975 10.2914 10.2914 10.9997 10.9997 k = 0.5000 0.5000 0.1388 ( 4492 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.2006 -9.2006 -2.9624 -2.9624 -0.0263 -0.0263 0.1527 0.1527 0.5548 0.5548 1.1399 1.1399 1.8027 1.8027 2.2054 2.2054 2.7229 2.7229 4.0774 4.0774 7.7709 7.7709 8.2669 8.2669 10.3114 10.3114 11.1131 11.1131 k = 0.5000 0.5000 0.1504 ( 4520 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1924 -9.1924 -3.0349 -3.0349 -0.0665 -0.0665 0.1132 0.1132 0.6590 0.6590 1.1420 1.1420 1.8860 1.8860 2.2783 2.2783 2.7326 2.7326 4.0664 4.0664 7.6477 7.6477 8.1374 8.1374 10.3329 10.3329 11.2255 11.2255 k = 0.5000 0.5000 0.1620 ( 4524 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1839 -9.1839 -3.1060 -3.1060 -0.1059 -0.1059 0.0751 0.0751 0.7653 0.7653 1.1438 1.1438 1.9692 1.9692 2.3488 2.3488 2.7462 2.7462 4.0548 4.0548 7.5255 7.5255 8.0093 8.0093 10.3560 10.3560 11.3363 11.3363 k = 0.5000 0.5000 0.1735 ( 4516 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1752 -9.1752 -3.1751 -3.1751 -0.1439 -0.1439 0.0385 0.0385 0.8722 0.8722 1.1455 1.1455 2.0517 2.0517 2.4147 2.4147 2.7655 2.7655 4.0426 4.0426 7.4049 7.4049 7.8829 7.8829 10.3805 10.3805 11.4454 11.4454 k = 0.5000 0.5000 0.1851 ( 4516 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1664 -9.1664 -3.2419 -3.2419 -0.1802 -0.1802 0.0036 0.0036 0.9791 0.9791 1.1470 1.1470 2.1330 2.1330 2.4729 2.4729 2.7930 2.7930 4.0300 4.0300 7.2861 7.2861 7.7587 7.7587 10.4064 10.4064 11.5522 11.5522 k = 0.5000 0.5000 0.1967 ( 4516 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1575 -9.1575 -3.3060 -3.3060 -0.2145 -0.2145 -0.0295 -0.0295 1.0851 1.0851 1.1484 1.1484 2.2126 2.2126 2.5205 2.5205 2.8311 2.8311 4.0173 4.0173 7.1698 7.1698 7.6371 7.6371 10.4336 10.4336 11.6565 11.6565 k = 0.5000 0.5000 0.2083 ( 4516 PWs) bands (ev): -46.4924 -46.4924 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1487 -9.1487 -3.3669 -3.3669 -0.2468 -0.2468 -0.0607 -0.0607 1.1497 1.1497 1.1895 1.1895 2.2897 2.2897 2.5565 2.5565 2.8804 2.8804 4.0046 4.0046 7.0564 7.0564 7.5186 7.5186 10.4620 10.4620 11.7579 11.7579 k = 0.5000 0.5000 0.2198 ( 4508 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3767 -18.3767 -18.3587 -18.3587 -9.1401 -9.1401 -3.4245 -3.4245 -0.2769 -0.2769 -0.0898 -0.0898 1.1509 1.1509 1.2918 1.2918 2.3636 2.3636 2.5821 2.5821 2.9389 2.9389 3.9922 3.9922 6.9465 6.9465 7.4037 7.4037 10.4914 10.4914 11.8558 11.8558 k = 0.5000 0.5000 0.2314 ( 4500 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3587 -18.3587 -9.1318 -9.1318 -3.4785 -3.4785 -0.3048 -0.3048 -0.1168 -0.1168 1.1520 1.1520 1.3912 1.3912 2.4336 2.4336 2.5999 2.5999 3.0035 3.0035 3.9805 3.9805 6.8406 6.8406 7.2930 7.2930 10.5218 10.5218 11.9499 11.9499 k = 0.5000 0.5000 0.2430 ( 4500 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3766 -18.3766 -18.3587 -18.3587 -9.1237 -9.1237 -3.5286 -3.5286 -0.3304 -0.3304 -0.1416 -0.1416 1.1530 1.1530 1.4871 1.4871 2.4988 2.4988 2.6124 2.6124 3.0710 3.0710 3.9698 3.9698 6.7394 6.7394 7.1872 7.1872 10.5527 10.5527 12.0396 12.0396 k = 0.5000 0.5000 0.2545 ( 4492 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.1162 -9.1162 -3.5745 -3.5745 -0.3536 -0.3536 -0.1642 -0.1642 1.1540 1.1540 1.5787 1.5787 2.5584 2.5584 2.6214 2.6214 3.1388 3.1388 3.9605 3.9605 6.6435 6.6435 7.0870 7.0870 10.5839 10.5839 12.1242 12.1242 k = 0.5000 0.5000 0.2661 ( 4484 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.1091 -9.1091 -3.6162 -3.6162 -0.3745 -0.3745 -0.1845 -0.1845 1.1548 1.1548 1.6653 1.6653 2.6115 2.6115 2.6279 2.6279 3.2050 3.2050 3.9530 3.9530 6.5539 6.5539 6.9934 6.9934 10.6151 10.6151 12.0557 12.0557 k = 0.5000 0.5000 0.2777 ( 4484 PWs) bands (ev): -46.4923 -46.4923 -18.5473 -18.5473 -18.3766 -18.3766 -18.3586 -18.3586 -9.1027 -9.1027 -3.6534 -3.6534 -0.3930 -0.3930 -0.2025 -0.2025 1.1555 1.1555 1.7459 1.7459 2.6329 2.6329 2.6577 2.6577 3.2679 3.2679 3.9474 3.9474 6.4713 6.4713 6.9072 6.9072 10.6456 10.6456 11.9915 11.9915 k = 0.5000 0.5000 0.2892 ( 4508 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0970 -9.0970 -3.6859 -3.6859 -0.4090 -0.4090 -0.2182 -0.2182 1.1562 1.1562 1.8197 1.8197 2.6366 2.6366 2.6963 2.6963 3.3261 3.3261 3.9438 3.9438 6.3968 6.3968 6.8293 6.8293 10.6750 10.6750 11.9327 11.9327 k = 0.5000 0.5000 0.3008 ( 4508 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0920 -9.0920 -3.7137 -3.7137 -0.4226 -0.4226 -0.2315 -0.2315 1.1567 1.1567 1.8854 1.8854 2.6394 2.6394 2.7274 2.7274 3.3781 3.3781 3.9422 3.9422 6.3312 6.3312 6.7610 6.7610 10.7024 10.7024 11.8802 11.8802 k = 0.5000 0.5000 0.3124 ( 4508 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0878 -9.0878 -3.7365 -3.7365 -0.4338 -0.4338 -0.2424 -0.2424 1.1571 1.1571 1.9418 1.9418 2.6415 2.6415 2.7511 2.7511 3.4228 3.4228 3.9422 3.9422 6.2757 6.2757 6.7032 6.7032 10.7269 10.7269 11.8351 11.8351 k = 0.5000 0.5000 0.3239 ( 4508 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0845 -9.0845 -3.7544 -3.7544 -0.4425 -0.4425 -0.2509 -0.2509 1.1575 1.1575 1.9877 1.9877 2.6431 2.6431 2.7682 2.7682 3.4590 3.4590 3.9432 3.9432 6.2313 6.2313 6.6569 6.6569 10.7476 10.7476 11.7984 11.7984 k = 0.5000 0.5000 0.3355 ( 4512 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0821 -9.0821 -3.7672 -3.7672 -0.4487 -0.4487 -0.2570 -0.2570 1.1577 1.1577 2.0217 2.0217 2.6441 2.6441 2.7794 2.7794 3.4856 3.4856 3.9446 3.9446 6.1988 6.1988 6.6231 6.6231 10.7634 10.7634 11.7711 11.7711 k = 0.5000 0.5000 0.3471 ( 4512 PWs) bands (ev): -46.4923 -46.4923 -18.5474 -18.5474 -18.3768 -18.3768 -18.3586 -18.3586 -9.0806 -9.0806 -3.7750 -3.7750 -0.4524 -0.4524 -0.2607 -0.2607 1.1579 1.1579 2.0426 2.0426 2.6447 2.6447 2.7856 2.7856 3.5019 3.5019 3.9457 3.9457 6.1790 6.1790 6.6025 6.6025 10.7733 10.7733 11.7543 11.7543 k = 0.5000 0.5000 0.3587 ( 4528 PWs) bands (ev): -46.4924 -46.4924 -18.5475 -18.5475 -18.3768 -18.3768 -18.3587 -18.3587 -9.0802 -9.0802 -3.7775 -3.7775 -0.4537 -0.4537 -0.2619 -0.2619 1.1579 1.1579 2.0496 2.0496 2.6449 2.6449 2.7876 2.7876 3.5074 3.5074 3.9462 3.9462 6.1724 6.1724 6.5955 6.5955 10.7767 10.7767 11.7486 11.7486 Writing output data file NaAuC2.save init_run : 0.26s CPU 0.69s WALL ( 1 calls) electrons : 100.27s CPU 103.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 100.27s CPU 103.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 394 calls) cegterg : 91.78s CPU 93.30s WALL ( 414 calls) Called by sum_band: Called by *egterg: h_psi : 53.92s CPU 56.02s WALL ( 6902 calls) s_psi : 1.64s CPU 1.72s WALL ( 6902 calls) g_psi : 0.17s CPU 0.20s WALL ( 6094 calls) cdiaghg : 33.03s CPU 32.12s WALL ( 6488 calls) cegterg:over : 3.70s CPU 3.79s WALL ( 6094 calls) cegterg:upda : 2.95s CPU 3.26s WALL ( 6094 calls) cegterg:last : 1.62s CPU 1.70s WALL ( 1218 calls) cdiaghg:chol : 1.74s CPU 1.78s WALL ( 6488 calls) cdiaghg:inve : 1.09s CPU 1.01s WALL ( 6488 calls) cdiaghg:para : 1.73s CPU 1.81s WALL ( 12976 calls) Called by h_psi: h_psi:vloc : 49.33s CPU 51.39s WALL ( 6902 calls) h_psi:vnl : 4.46s CPU 4.48s WALL ( 6902 calls) add_vuspsi : 2.06s CPU 2.15s WALL ( 6902 calls) General routines calbec : 2.37s CPU 2.31s WALL ( 6902 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.36s CPU 48.27s WALL ( 614720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 788 calls) Parallel routines fft_scatter : 17.40s CPU 18.03s WALL ( 614743 calls) PWSCF : 1m54.80s CPU 2m30.37s WALL This run was terminated on: 16: 8:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=