Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:23 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: ./CaPb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 19 6 838 469 80 Max 29 20 8 846 490 84 Sum 1009 697 221 30373 17229 2969 bravais-lattice index = 14 lattice parameter (alat) = 6.8389 a.u. unit-cell volume = 396.9326 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.838918 celldm(2)= 1.000000 celldm(3)= 1.240951 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 1.240951 ) 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 0.805834 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Pb 14.00 207.20000 Pb( 1.00) Ca 10.00 40.07800 Ca( 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= 414 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0024155 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0024155 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0024155 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0024155 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0024155 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0024155 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0024155 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0024155 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0024155 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0024155 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0024155 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0024155 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0024155 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0024155 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0024155 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0024155 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0024155 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0024155 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0024155 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0024155 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0024155 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0024155 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0024155 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0024155 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0024155 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0024155 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0024155 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0024155 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0024155 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0024155 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0024155 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0024155 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0024155 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0024155 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0024155 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0024155 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0024155 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0024155 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0024155 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0024155 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0024155 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0024155 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0024155 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0024155 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0024155 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0024155 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0024155 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0024155 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0024155 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0024155 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0024155 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0024155 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0024155 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0024155 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0024155 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0024155 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0024155 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0024155 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0024155 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0024155 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0024155 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0024155 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0024155 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0024155 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0024155 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0024155 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0024155 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0024155 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0024155 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0024155 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0024155 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0024155 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0024155 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0024155 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0024155 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0024155 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0024155 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0024155 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0024155 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0024155 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0024155 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0024155 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0024155 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0024155 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0024155 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0024155 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0024155 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0024155 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0024155 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0024155 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0024155 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0024155 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0024155 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0024155 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0024155 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0024155 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0024155 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0024155 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0024155 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0024155 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0024155 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0024155 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0024155 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0024155 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0024155 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0024155 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0024155 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0024155 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0024155 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0024155 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0024155 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0024155 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0024155 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0024155 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024155 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0024155 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0024155 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0024155 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0024155 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0024155 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0024155 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0024155 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0024155 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0024155 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0024155 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0024155 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0024155 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0024155 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0024155 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0024155 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0024155 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0024155 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0024155 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0024155 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0024155 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0024155 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0024155 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0024155 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0024155 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0024155 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0024155 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0024155 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0024155 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0024155 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0024155 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 155) = ( 0.0000000 0.0000000 0.0115119), wk = 0.0024155 k( 156) = ( 0.0000000 0.0000000 0.0230238), wk = 0.0024155 k( 157) = ( 0.0000000 0.0000000 0.0345357), wk = 0.0024155 k( 158) = ( 0.0000000 0.0000000 0.0460477), wk = 0.0024155 k( 159) = ( 0.0000000 0.0000000 0.0575596), wk = 0.0024155 k( 160) = ( 0.0000000 0.0000000 0.0690715), wk = 0.0024155 k( 161) = ( 0.0000000 0.0000000 0.0805834), wk = 0.0024155 k( 162) = ( 0.0000000 0.0000000 0.0920953), wk = 0.0024155 k( 163) = ( 0.0000000 0.0000000 0.1036072), wk = 0.0024155 k( 164) = ( 0.0000000 0.0000000 0.1151191), wk = 0.0024155 k( 165) = ( 0.0000000 0.0000000 0.1266310), wk = 0.0024155 k( 166) = ( 0.0000000 0.0000000 0.1381430), wk = 0.0024155 k( 167) = ( 0.0000000 0.0000000 0.1496549), wk = 0.0024155 k( 168) = ( 0.0000000 0.0000000 0.1611668), wk = 0.0024155 k( 169) = ( 0.0000000 0.0000000 0.1726787), wk = 0.0024155 k( 170) = ( 0.0000000 0.0000000 0.1841906), wk = 0.0024155 k( 171) = ( 0.0000000 0.0000000 0.1957025), wk = 0.0024155 k( 172) = ( 0.0000000 0.0000000 0.2072144), wk = 0.0024155 k( 173) = ( 0.0000000 0.0000000 0.2187263), wk = 0.0024155 k( 174) = ( 0.0000000 0.0000000 0.2302383), wk = 0.0024155 k( 175) = ( 0.0000000 0.0000000 0.2417502), wk = 0.0024155 k( 176) = ( 0.0000000 0.0000000 0.2532621), wk = 0.0024155 k( 177) = ( 0.0000000 0.0000000 0.2647740), wk = 0.0024155 k( 178) = ( 0.0000000 0.0000000 0.2762859), wk = 0.0024155 k( 179) = ( 0.0000000 0.0000000 0.2877978), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.2993097), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.3108216), wk = 0.0024155 k( 182) = ( 0.0000000 0.0000000 0.3223336), wk = 0.0024155 k( 183) = ( 0.0000000 0.0000000 0.3338455), wk = 0.0024155 k( 184) = ( 0.0000000 0.0000000 0.3453574), wk = 0.0024155 k( 185) = ( 0.0000000 0.0000000 0.3568693), wk = 0.0024155 k( 186) = ( 0.0000000 0.0000000 0.3683812), wk = 0.0024155 k( 187) = ( 0.0000000 0.0000000 0.3798931), wk = 0.0024155 k( 188) = ( 0.0000000 0.0000000 0.3914050), wk = 0.0024155 k( 189) = ( 0.0000000 0.0000000 0.4029169), wk = 0.0024155 k( 190) = ( 0.0000000 0.0000000 0.4029169), wk = 0.0024155 k( 191) = ( 0.0000000 0.0113636 0.4029169), wk = 0.0024155 k( 192) = ( 0.0000000 0.0227273 0.4029169), wk = 0.0024155 k( 193) = ( 0.0000000 0.0340909 0.4029169), wk = 0.0024155 k( 194) = ( 0.0000000 0.0454546 0.4029169), wk = 0.0024155 k( 195) = ( 0.0000000 0.0568182 0.4029169), wk = 0.0024155 k( 196) = ( 0.0000000 0.0681818 0.4029169), wk = 0.0024155 k( 197) = ( 0.0000000 0.0795455 0.4029169), wk = 0.0024155 k( 198) = ( 0.0000000 0.0909091 0.4029169), wk = 0.0024155 k( 199) = ( 0.0000000 0.1022727 0.4029169), wk = 0.0024155 k( 200) = ( 0.0000000 0.1136364 0.4029169), wk = 0.0024155 k( 201) = ( 0.0000000 0.1250000 0.4029169), wk = 0.0024155 k( 202) = ( 0.0000000 0.1363636 0.4029169), wk = 0.0024155 k( 203) = ( 0.0000000 0.1477273 0.4029169), wk = 0.0024155 k( 204) = ( 0.0000000 0.1590909 0.4029169), wk = 0.0024155 k( 205) = ( 0.0000000 0.1704546 0.4029169), wk = 0.0024155 k( 206) = ( 0.0000000 0.1818182 0.4029169), wk = 0.0024155 k( 207) = ( 0.0000000 0.1931818 0.4029169), wk = 0.0024155 k( 208) = ( 0.0000000 0.2045454 0.4029169), wk = 0.0024155 k( 209) = ( 0.0000000 0.2159091 0.4029169), wk = 0.0024155 k( 210) = ( 0.0000000 0.2272727 0.4029169), wk = 0.0024155 k( 211) = ( 0.0000000 0.2386364 0.4029169), wk = 0.0024155 k( 212) = ( 0.0000000 0.2500000 0.4029169), wk = 0.0024155 k( 213) = ( 0.0000000 0.2613636 0.4029169), wk = 0.0024155 k( 214) = ( 0.0000000 0.2727273 0.4029169), wk = 0.0024155 k( 215) = ( 0.0000000 0.2840909 0.4029169), wk = 0.0024155 k( 216) = ( 0.0000000 0.2954545 0.4029169), wk = 0.0024155 k( 217) = ( 0.0000000 0.3068182 0.4029169), wk = 0.0024155 k( 218) = ( 0.0000000 0.3181818 0.4029169), wk = 0.0024155 k( 219) = ( 0.0000000 0.3295455 0.4029169), wk = 0.0024155 k( 220) = ( 0.0000000 0.3409091 0.4029169), wk = 0.0024155 k( 221) = ( 0.0000000 0.3522727 0.4029169), wk = 0.0024155 k( 222) = ( 0.0000000 0.3636364 0.4029169), wk = 0.0024155 k( 223) = ( 0.0000000 0.3750000 0.4029169), wk = 0.0024155 k( 224) = ( 0.0000000 0.3863636 0.4029169), wk = 0.0024155 k( 225) = ( 0.0000000 0.3977273 0.4029169), wk = 0.0024155 k( 226) = ( 0.0000000 0.4090909 0.4029169), wk = 0.0024155 k( 227) = ( 0.0000000 0.4204545 0.4029169), wk = 0.0024155 k( 228) = ( 0.0000000 0.4318182 0.4029169), wk = 0.0024155 k( 229) = ( 0.0000000 0.4431818 0.4029169), wk = 0.0024155 k( 230) = ( 0.0000000 0.4545455 0.4029169), wk = 0.0024155 k( 231) = ( 0.0000000 0.4659091 0.4029169), wk = 0.0024155 k( 232) = ( 0.0000000 0.4772727 0.4029169), wk = 0.0024155 k( 233) = ( 0.0000000 0.4886364 0.4029169), wk = 0.0024155 k( 234) = ( 0.0000000 0.5000000 0.4029169), wk = 0.0024155 k( 235) = ( 0.0000000 0.5000000 0.4029169), wk = 0.0024155 k( 236) = ( 0.0113636 0.5000000 0.4029169), wk = 0.0024155 k( 237) = ( 0.0227273 0.5000000 0.4029169), wk = 0.0024155 k( 238) = ( 0.0340909 0.5000000 0.4029169), wk = 0.0024155 k( 239) = ( 0.0454546 0.5000000 0.4029169), wk = 0.0024155 k( 240) = ( 0.0568182 0.5000000 0.4029169), wk = 0.0024155 k( 241) = ( 0.0681818 0.5000000 0.4029169), wk = 0.0024155 k( 242) = ( 0.0795455 0.5000000 0.4029169), wk = 0.0024155 k( 243) = ( 0.0909091 0.5000000 0.4029169), wk = 0.0024155 k( 244) = ( 0.1022727 0.5000000 0.4029169), wk = 0.0024155 k( 245) = ( 0.1136364 0.5000000 0.4029169), wk = 0.0024155 k( 246) = ( 0.1250000 0.5000000 0.4029169), wk = 0.0024155 k( 247) = ( 0.1363636 0.5000000 0.4029169), wk = 0.0024155 k( 248) = ( 0.1477273 0.5000000 0.4029169), wk = 0.0024155 k( 249) = ( 0.1590909 0.5000000 0.4029169), wk = 0.0024155 k( 250) = ( 0.1704546 0.5000000 0.4029169), wk = 0.0024155 k( 251) = ( 0.1818182 0.5000000 0.4029169), wk = 0.0024155 k( 252) = ( 0.1931818 0.5000000 0.4029169), wk = 0.0024155 k( 253) = ( 0.2045454 0.5000000 0.4029169), wk = 0.0024155 k( 254) = ( 0.2159091 0.5000000 0.4029169), wk = 0.0024155 k( 255) = ( 0.2272727 0.5000000 0.4029169), wk = 0.0024155 k( 256) = ( 0.2386364 0.5000000 0.4029169), wk = 0.0024155 k( 257) = ( 0.2500000 0.5000000 0.4029169), wk = 0.0024155 k( 258) = ( 0.2613636 0.5000000 0.4029169), wk = 0.0024155 k( 259) = ( 0.2727273 0.5000000 0.4029169), wk = 0.0024155 k( 260) = ( 0.2840909 0.5000000 0.4029169), wk = 0.0024155 k( 261) = ( 0.2954545 0.5000000 0.4029169), wk = 0.0024155 k( 262) = ( 0.3068182 0.5000000 0.4029169), wk = 0.0024155 k( 263) = ( 0.3181818 0.5000000 0.4029169), wk = 0.0024155 k( 264) = ( 0.3295455 0.5000000 0.4029169), wk = 0.0024155 k( 265) = ( 0.3409091 0.5000000 0.4029169), wk = 0.0024155 k( 266) = ( 0.3522727 0.5000000 0.4029169), wk = 0.0024155 k( 267) = ( 0.3636364 0.5000000 0.4029169), wk = 0.0024155 k( 268) = ( 0.3750000 0.5000000 0.4029169), wk = 0.0024155 k( 269) = ( 0.3863636 0.5000000 0.4029169), wk = 0.0024155 k( 270) = ( 0.3977273 0.5000000 0.4029169), wk = 0.0024155 k( 271) = ( 0.4090909 0.5000000 0.4029169), wk = 0.0024155 k( 272) = ( 0.4204545 0.5000000 0.4029169), wk = 0.0024155 k( 273) = ( 0.4318182 0.5000000 0.4029169), wk = 0.0024155 k( 274) = ( 0.4431818 0.5000000 0.4029169), wk = 0.0024155 k( 275) = ( 0.4545455 0.5000000 0.4029169), wk = 0.0024155 k( 276) = ( 0.4659091 0.5000000 0.4029169), wk = 0.0024155 k( 277) = ( 0.4772727 0.5000000 0.4029169), wk = 0.0024155 k( 278) = ( 0.4886364 0.5000000 0.4029169), wk = 0.0024155 k( 279) = ( 0.5000000 0.5000000 0.4029169), wk = 0.0024155 k( 280) = ( 0.5000000 0.5000000 0.4029169), wk = 0.0024155 k( 281) = ( 0.4919355 0.4919355 0.4029169), wk = 0.0024155 k( 282) = ( 0.4838710 0.4838710 0.4029169), wk = 0.0024155 k( 283) = ( 0.4758064 0.4758064 0.4029169), wk = 0.0024155 k( 284) = ( 0.4677419 0.4677419 0.4029169), wk = 0.0024155 k( 285) = ( 0.4596774 0.4596774 0.4029169), wk = 0.0024155 k( 286) = ( 0.4516129 0.4516129 0.4029169), wk = 0.0024155 k( 287) = ( 0.4435484 0.4435484 0.4029169), wk = 0.0024155 k( 288) = ( 0.4354839 0.4354839 0.4029169), wk = 0.0024155 k( 289) = ( 0.4274193 0.4274193 0.4029169), wk = 0.0024155 k( 290) = ( 0.4193548 0.4193548 0.4029169), wk = 0.0024155 k( 291) = ( 0.4112903 0.4112903 0.4029169), wk = 0.0024155 k( 292) = ( 0.4032258 0.4032258 0.4029169), wk = 0.0024155 k( 293) = ( 0.3951613 0.3951613 0.4029169), wk = 0.0024155 k( 294) = ( 0.3870968 0.3870968 0.4029169), wk = 0.0024155 k( 295) = ( 0.3790323 0.3790323 0.4029169), wk = 0.0024155 k( 296) = ( 0.3709677 0.3709677 0.4029169), wk = 0.0024155 k( 297) = ( 0.3629032 0.3629032 0.4029169), wk = 0.0024155 k( 298) = ( 0.3548387 0.3548387 0.4029169), wk = 0.0024155 k( 299) = ( 0.3467742 0.3467742 0.4029169), wk = 0.0024155 k( 300) = ( 0.3387097 0.3387097 0.4029169), wk = 0.0024155 k( 301) = ( 0.3306452 0.3306452 0.4029169), wk = 0.0024155 k( 302) = ( 0.3225807 0.3225806 0.4029169), wk = 0.0024155 k( 303) = ( 0.3145161 0.3145161 0.4029169), wk = 0.0024155 k( 304) = ( 0.3064516 0.3064516 0.4029169), wk = 0.0024155 k( 305) = ( 0.2983871 0.2983871 0.4029169), wk = 0.0024155 k( 306) = ( 0.2903226 0.2903226 0.4029169), wk = 0.0024155 k( 307) = ( 0.2822581 0.2822581 0.4029169), wk = 0.0024155 k( 308) = ( 0.2741936 0.2741936 0.4029169), wk = 0.0024155 k( 309) = ( 0.2661290 0.2661290 0.4029169), wk = 0.0024155 k( 310) = ( 0.2580645 0.2580645 0.4029169), wk = 0.0024155 k( 311) = ( 0.2500000 0.2500000 0.4029169), wk = 0.0024155 k( 312) = ( 0.2419355 0.2419355 0.4029169), wk = 0.0024155 k( 313) = ( 0.2338710 0.2338710 0.4029169), wk = 0.0024155 k( 314) = ( 0.2258064 0.2258064 0.4029169), wk = 0.0024155 k( 315) = ( 0.2177419 0.2177419 0.4029169), wk = 0.0024155 k( 316) = ( 0.2096774 0.2096774 0.4029169), wk = 0.0024155 k( 317) = ( 0.2016129 0.2016129 0.4029169), wk = 0.0024155 k( 318) = ( 0.1935484 0.1935484 0.4029169), wk = 0.0024155 k( 319) = ( 0.1854839 0.1854839 0.4029169), wk = 0.0024155 k( 320) = ( 0.1774194 0.1774193 0.4029169), wk = 0.0024155 k( 321) = ( 0.1693548 0.1693548 0.4029169), wk = 0.0024155 k( 322) = ( 0.1612903 0.1612903 0.4029169), wk = 0.0024155 k( 323) = ( 0.1532258 0.1532258 0.4029169), wk = 0.0024155 k( 324) = ( 0.1451613 0.1451613 0.4029169), wk = 0.0024155 k( 325) = ( 0.1370968 0.1370968 0.4029169), wk = 0.0024155 k( 326) = ( 0.1290323 0.1290323 0.4029169), wk = 0.0024155 k( 327) = ( 0.1209677 0.1209677 0.4029169), wk = 0.0024155 k( 328) = ( 0.1129032 0.1129032 0.4029169), wk = 0.0024155 k( 329) = ( 0.1048387 0.1048387 0.4029169), wk = 0.0024155 k( 330) = ( 0.0967742 0.0967742 0.4029169), wk = 0.0024155 k( 331) = ( 0.0887097 0.0887097 0.4029169), wk = 0.0024155 k( 332) = ( 0.0806452 0.0806452 0.4029169), wk = 0.0024155 k( 333) = ( 0.0725806 0.0725806 0.4029169), wk = 0.0024155 k( 334) = ( 0.0645161 0.0645161 0.4029169), wk = 0.0024155 k( 335) = ( 0.0564516 0.0564516 0.4029169), wk = 0.0024155 k( 336) = ( 0.0483871 0.0483871 0.4029169), wk = 0.0024155 k( 337) = ( 0.0403226 0.0403226 0.4029169), wk = 0.0024155 k( 338) = ( 0.0322581 0.0322581 0.4029169), wk = 0.0024155 k( 339) = ( 0.0241936 0.0241935 0.4029169), wk = 0.0024155 k( 340) = ( 0.0161290 0.0161290 0.4029169), wk = 0.0024155 k( 341) = ( 0.0080645 0.0080645 0.4029169), wk = 0.0024155 k( 342) = ( 0.0000000 0.0000000 0.4029169), wk = 0.0024155 k( 343) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024155 k( 344) = ( 0.0000000 0.5000000 0.0115119), wk = 0.0024155 k( 345) = ( 0.0000000 0.5000000 0.0230238), wk = 0.0024155 k( 346) = ( 0.0000000 0.5000000 0.0345357), wk = 0.0024155 k( 347) = ( 0.0000000 0.5000000 0.0460477), wk = 0.0024155 k( 348) = ( 0.0000000 0.5000000 0.0575596), wk = 0.0024155 k( 349) = ( 0.0000000 0.5000000 0.0690715), wk = 0.0024155 k( 350) = ( 0.0000000 0.5000000 0.0805834), wk = 0.0024155 k( 351) = ( 0.0000000 0.5000000 0.0920953), wk = 0.0024155 k( 352) = ( 0.0000000 0.5000000 0.1036072), wk = 0.0024155 k( 353) = ( 0.0000000 0.5000000 0.1151191), wk = 0.0024155 k( 354) = ( 0.0000000 0.5000000 0.1266310), wk = 0.0024155 k( 355) = ( 0.0000000 0.5000000 0.1381430), wk = 0.0024155 k( 356) = ( 0.0000000 0.5000000 0.1496549), wk = 0.0024155 k( 357) = ( 0.0000000 0.5000000 0.1611668), wk = 0.0024155 k( 358) = ( 0.0000000 0.5000000 0.1726787), wk = 0.0024155 k( 359) = ( 0.0000000 0.5000000 0.1841906), wk = 0.0024155 k( 360) = ( 0.0000000 0.5000000 0.1957025), wk = 0.0024155 k( 361) = ( 0.0000000 0.5000000 0.2072144), wk = 0.0024155 k( 362) = ( 0.0000000 0.5000000 0.2187263), wk = 0.0024155 k( 363) = ( 0.0000000 0.5000000 0.2302383), wk = 0.0024155 k( 364) = ( 0.0000000 0.5000000 0.2417502), wk = 0.0024155 k( 365) = ( 0.0000000 0.5000000 0.2532621), wk = 0.0024155 k( 366) = ( 0.0000000 0.5000000 0.2647740), wk = 0.0024155 k( 367) = ( 0.0000000 0.5000000 0.2762859), wk = 0.0024155 k( 368) = ( 0.0000000 0.5000000 0.2877978), wk = 0.0024155 k( 369) = ( 0.0000000 0.5000000 0.2993097), wk = 0.0024155 k( 370) = ( 0.0000000 0.5000000 0.3108216), wk = 0.0024155 k( 371) = ( 0.0000000 0.5000000 0.3223336), wk = 0.0024155 k( 372) = ( 0.0000000 0.5000000 0.3338455), wk = 0.0024155 k( 373) = ( 0.0000000 0.5000000 0.3453574), wk = 0.0024155 k( 374) = ( 0.0000000 0.5000000 0.3568693), wk = 0.0024155 k( 375) = ( 0.0000000 0.5000000 0.3683812), wk = 0.0024155 k( 376) = ( 0.0000000 0.5000000 0.3798931), wk = 0.0024155 k( 377) = ( 0.0000000 0.5000000 0.3914050), wk = 0.0024155 k( 378) = ( 0.0000000 0.5000000 0.4029169), wk = 0.0024155 k( 379) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 380) = ( 0.5000000 0.5000000 0.0115119), wk = 0.0024155 k( 381) = ( 0.5000000 0.5000000 0.0230238), wk = 0.0024155 k( 382) = ( 0.5000000 0.5000000 0.0345357), wk = 0.0024155 k( 383) = ( 0.5000000 0.5000000 0.0460477), wk = 0.0024155 k( 384) = ( 0.5000000 0.5000000 0.0575596), wk = 0.0024155 k( 385) = ( 0.5000000 0.5000000 0.0690715), wk = 0.0024155 k( 386) = ( 0.5000000 0.5000000 0.0805834), wk = 0.0024155 k( 387) = ( 0.5000000 0.5000000 0.0920953), wk = 0.0024155 k( 388) = ( 0.5000000 0.5000000 0.1036072), wk = 0.0024155 k( 389) = ( 0.5000000 0.5000000 0.1151191), wk = 0.0024155 k( 390) = ( 0.5000000 0.5000000 0.1266310), wk = 0.0024155 k( 391) = ( 0.5000000 0.5000000 0.1381430), wk = 0.0024155 k( 392) = ( 0.5000000 0.5000000 0.1496549), wk = 0.0024155 k( 393) = ( 0.5000000 0.5000000 0.1611668), wk = 0.0024155 k( 394) = ( 0.5000000 0.5000000 0.1726787), wk = 0.0024155 k( 395) = ( 0.5000000 0.5000000 0.1841906), wk = 0.0024155 k( 396) = ( 0.5000000 0.5000000 0.1957025), wk = 0.0024155 k( 397) = ( 0.5000000 0.5000000 0.2072144), wk = 0.0024155 k( 398) = ( 0.5000000 0.5000000 0.2187263), wk = 0.0024155 k( 399) = ( 0.5000000 0.5000000 0.2302383), wk = 0.0024155 k( 400) = ( 0.5000000 0.5000000 0.2417502), wk = 0.0024155 k( 401) = ( 0.5000000 0.5000000 0.2532621), wk = 0.0024155 k( 402) = ( 0.5000000 0.5000000 0.2647740), wk = 0.0024155 k( 403) = ( 0.5000000 0.5000000 0.2762859), wk = 0.0024155 k( 404) = ( 0.5000000 0.5000000 0.2877978), wk = 0.0024155 k( 405) = ( 0.5000000 0.5000000 0.2993097), wk = 0.0024155 k( 406) = ( 0.5000000 0.5000000 0.3108216), wk = 0.0024155 k( 407) = ( 0.5000000 0.5000000 0.3223336), wk = 0.0024155 k( 408) = ( 0.5000000 0.5000000 0.3338455), wk = 0.0024155 k( 409) = ( 0.5000000 0.5000000 0.3453574), wk = 0.0024155 k( 410) = ( 0.5000000 0.5000000 0.3568693), wk = 0.0024155 k( 411) = ( 0.5000000 0.5000000 0.3683812), wk = 0.0024155 k( 412) = ( 0.5000000 0.5000000 0.3798931), wk = 0.0024155 k( 413) = ( 0.5000000 0.5000000 0.3914050), wk = 0.0024155 k( 414) = ( 0.5000000 0.5000000 0.4029169), wk = 0.0024155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0024155 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0024155 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0024155 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0024155 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0024155 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0024155 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0024155 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0024155 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0024155 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0024155 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0024155 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0024155 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0024155 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0024155 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0024155 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0024155 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0024155 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0024155 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0024155 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0024155 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0024155 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0024155 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0024155 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0024155 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0024155 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0024155 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0024155 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0024155 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0024155 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0024155 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0024155 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0024155 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0024155 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0024155 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0024155 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0024155 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0024155 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0024155 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0024155 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0024155 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0024155 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0024155 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0024155 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0024155 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0024155 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0024155 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0024155 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0024155 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0024155 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0024155 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0024155 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0024155 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0024155 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0024155 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0024155 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0024155 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0024155 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0024155 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0024155 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0024155 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0024155 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0024155 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0024155 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0024155 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0024155 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0024155 k( 71) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0024155 k( 72) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0024155 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0024155 k( 74) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0024155 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0024155 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0024155 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0024155 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0024155 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0024155 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0024155 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0024155 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0024155 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0024155 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0024155 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0024155 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0024155 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0024155 k( 88) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0024155 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0024155 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0024155 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0024155 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0024155 k( 95) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0024155 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0024155 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0024155 k( 98) = ( 0.4435484 0.4435484 0.0000000), wk = 0.0024155 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0024155 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0024155 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0024155 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0024155 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0024155 k( 104) = ( 0.3951613 0.3951613 0.0000000), wk = 0.0024155 k( 105) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0024155 k( 106) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0024155 k( 107) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0024155 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0024155 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0024155 k( 110) = ( 0.3467742 0.3467742 0.0000000), wk = 0.0024155 k( 111) = ( 0.3387097 0.3387097 0.0000000), wk = 0.0024155 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0024155 k( 113) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0024155 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0024155 k( 115) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0024155 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0024155 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0024155 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0024155 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0024155 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0024155 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0024155 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024155 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0024155 k( 124) = ( 0.2338710 0.2338710 0.0000000), wk = 0.0024155 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0024155 k( 126) = ( 0.2177419 0.2177419 0.0000000), wk = 0.0024155 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0024155 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0024155 k( 129) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0024155 k( 130) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0024155 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0024155 k( 132) = ( 0.1693548 0.1693548 0.0000000), wk = 0.0024155 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0024155 k( 134) = ( 0.1532258 0.1532258 0.0000000), wk = 0.0024155 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0024155 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0024155 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0024155 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0024155 k( 139) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0024155 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0024155 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0024155 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0024155 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0024155 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0024155 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0024155 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0024155 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0024155 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0024155 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0024155 k( 150) = ( 0.0241936 0.0241936 -0.0000000), wk = 0.0024155 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0024155 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0024155 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 155) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0024155 k( 156) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0024155 k( 157) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0024155 k( 158) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0024155 k( 159) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024155 k( 160) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0024155 k( 161) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024155 k( 162) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0024155 k( 163) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0024155 k( 164) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024155 k( 165) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0024155 k( 166) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0024155 k( 167) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0024155 k( 168) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024155 k( 169) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024155 k( 170) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0024155 k( 171) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0024155 k( 172) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0024155 k( 173) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0024155 k( 174) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024155 k( 175) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024155 k( 176) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0024155 k( 177) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0024155 k( 178) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0024155 k( 179) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024155 k( 180) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0024155 k( 181) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0024155 k( 182) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024155 k( 183) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0024155 k( 184) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024155 k( 185) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0024155 k( 186) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0024155 k( 187) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0024155 k( 188) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0024155 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 191) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0024155 k( 192) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0024155 k( 193) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0024155 k( 194) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0024155 k( 195) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0024155 k( 196) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0024155 k( 197) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0024155 k( 198) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0024155 k( 199) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0024155 k( 200) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0024155 k( 201) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0024155 k( 202) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0024155 k( 203) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0024155 k( 204) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0024155 k( 205) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0024155 k( 206) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0024155 k( 207) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0024155 k( 208) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0024155 k( 209) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0024155 k( 210) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0024155 k( 211) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0024155 k( 212) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0024155 k( 213) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0024155 k( 214) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0024155 k( 215) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0024155 k( 216) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0024155 k( 217) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0024155 k( 218) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0024155 k( 219) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0024155 k( 220) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0024155 k( 221) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0024155 k( 222) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0024155 k( 223) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0024155 k( 224) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0024155 k( 225) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0024155 k( 226) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0024155 k( 227) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0024155 k( 228) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0024155 k( 229) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0024155 k( 230) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0024155 k( 231) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0024155 k( 232) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0024155 k( 233) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0024155 k( 234) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 235) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 236) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0024155 k( 237) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0024155 k( 238) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0024155 k( 239) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0024155 k( 240) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0024155 k( 241) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0024155 k( 242) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0024155 k( 243) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0024155 k( 244) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0024155 k( 245) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0024155 k( 246) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0024155 k( 247) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0024155 k( 248) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0024155 k( 249) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0024155 k( 250) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0024155 k( 251) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0024155 k( 252) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0024155 k( 253) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0024155 k( 254) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0024155 k( 255) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0024155 k( 256) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0024155 k( 257) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0024155 k( 258) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0024155 k( 259) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0024155 k( 260) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0024155 k( 261) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0024155 k( 262) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0024155 k( 263) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0024155 k( 264) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0024155 k( 265) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0024155 k( 266) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0024155 k( 267) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0024155 k( 268) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0024155 k( 269) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0024155 k( 270) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0024155 k( 271) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0024155 k( 272) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0024155 k( 273) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0024155 k( 274) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0024155 k( 275) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0024155 k( 276) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0024155 k( 277) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0024155 k( 278) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0024155 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 281) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0024155 k( 282) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0024155 k( 283) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0024155 k( 284) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0024155 k( 285) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0024155 k( 286) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0024155 k( 287) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0024155 k( 288) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0024155 k( 289) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0024155 k( 290) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0024155 k( 291) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0024155 k( 292) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0024155 k( 293) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0024155 k( 294) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0024155 k( 295) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0024155 k( 296) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0024155 k( 297) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0024155 k( 298) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0024155 k( 299) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0024155 k( 300) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0024155 k( 301) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0024155 k( 302) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0024155 k( 303) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0024155 k( 304) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0024155 k( 305) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0024155 k( 306) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0024155 k( 307) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0024155 k( 308) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0024155 k( 309) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0024155 k( 310) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0024155 k( 311) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024155 k( 312) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0024155 k( 313) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0024155 k( 314) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0024155 k( 315) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0024155 k( 316) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0024155 k( 317) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0024155 k( 318) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0024155 k( 319) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0024155 k( 320) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0024155 k( 321) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0024155 k( 322) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0024155 k( 323) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0024155 k( 324) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0024155 k( 325) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0024155 k( 326) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0024155 k( 327) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0024155 k( 328) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0024155 k( 329) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0024155 k( 330) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0024155 k( 331) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0024155 k( 332) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0024155 k( 333) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0024155 k( 334) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0024155 k( 335) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0024155 k( 336) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0024155 k( 337) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0024155 k( 338) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0024155 k( 339) = ( 0.0241936 0.0241936 0.5000000), wk = 0.0024155 k( 340) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0024155 k( 341) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0024155 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024155 k( 343) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024155 k( 344) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0024155 k( 345) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0024155 k( 346) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0024155 k( 347) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0024155 k( 348) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024155 k( 349) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0024155 k( 350) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024155 k( 351) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0024155 k( 352) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0024155 k( 353) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024155 k( 354) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0024155 k( 355) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0024155 k( 356) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0024155 k( 357) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024155 k( 358) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024155 k( 359) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0024155 k( 360) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0024155 k( 361) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0024155 k( 362) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0024155 k( 363) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024155 k( 364) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024155 k( 365) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0024155 k( 366) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0024155 k( 367) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0024155 k( 368) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024155 k( 369) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0024155 k( 370) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0024155 k( 371) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024155 k( 372) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0024155 k( 373) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024155 k( 374) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0024155 k( 375) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0024155 k( 376) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0024155 k( 377) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0024155 k( 378) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024155 k( 379) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024155 k( 380) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0024155 k( 381) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0024155 k( 382) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0024155 k( 383) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0024155 k( 384) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0024155 k( 385) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0024155 k( 386) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0024155 k( 387) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0024155 k( 388) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0024155 k( 389) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0024155 k( 390) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0024155 k( 391) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0024155 k( 392) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0024155 k( 393) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0024155 k( 394) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0024155 k( 395) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0024155 k( 396) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0024155 k( 397) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0024155 k( 398) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0024155 k( 399) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0024155 k( 400) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0024155 k( 401) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0024155 k( 402) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0024155 k( 403) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0024155 k( 404) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0024155 k( 405) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0024155 k( 406) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0024155 k( 407) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0024155 k( 408) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0024155 k( 409) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0024155 k( 410) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0024155 k( 411) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0024155 k( 412) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0024155 k( 413) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0024155 k( 414) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 Dense grid: 30373 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 17229 G-vectors FFT dimensions: ( 30, 30, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 128, 32) NL pseudopotentials 0.07 Mb ( 64, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 846) G-vector shells 0.00 Mb ( 410) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 128, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaPb.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.2 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.8 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.2 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.2 secs Computing kpt #: 16 total cpu time spent up to now is 13.6 secs Computing kpt #: 17 total cpu time spent up to now is 14.1 secs Computing kpt #: 18 total cpu time spent up to now is 14.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.2 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.3 secs Computing kpt #: 28 total cpu time spent up to now is 17.6 secs Computing kpt #: 29 total cpu time spent up to now is 17.8 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.7 secs Computing kpt #: 33 total cpu time spent up to now is 19.0 secs Computing kpt #: 34 total cpu time spent up to now is 19.2 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 19.8 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.3 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 20.9 secs Computing kpt #: 41 total cpu time spent up to now is 21.3 secs Computing kpt #: 42 total cpu time spent up to now is 21.6 secs Computing kpt #: 43 total cpu time spent up to now is 21.9 secs Computing kpt #: 44 total cpu time spent up to now is 22.2 secs Computing kpt #: 45 total cpu time spent up to now is 22.5 secs Computing kpt #: 46 total cpu time spent up to now is 22.8 secs Computing kpt #: 47 total cpu time spent up to now is 23.0 secs Computing kpt #: 48 total cpu time spent up to now is 23.3 secs Computing kpt #: 49 total cpu time spent up to now is 23.6 secs Computing kpt #: 50 total cpu time spent up to now is 23.9 secs Computing kpt #: 51 total cpu time spent up to now is 24.1 secs Computing kpt #: 52 total cpu time spent up to now is 24.4 secs Computing kpt #: 53 total cpu time spent up to now is 24.7 secs Computing kpt #: 54 total cpu time spent up to now is 25.0 secs Computing kpt #: 55 total cpu time spent up to now is 25.3 secs Computing kpt #: 56 total cpu time spent up to now is 25.6 secs Computing kpt #: 57 total cpu time spent up to now is 25.9 secs Computing kpt #: 58 total cpu time spent up to now is 26.2 secs Computing kpt #: 59 total cpu time spent up to now is 26.5 secs Computing kpt #: 60 total cpu time spent up to now is 26.7 secs Computing kpt #: 61 total cpu time spent up to now is 27.0 secs Computing kpt #: 62 total cpu time spent up to now is 27.3 secs Computing kpt #: 63 total cpu time spent up to now is 27.6 secs Computing kpt #: 64 total cpu time spent up to now is 27.8 secs Computing kpt #: 65 total cpu time spent up to now is 28.1 secs Computing kpt #: 66 total cpu time spent up to now is 28.4 secs Computing kpt #: 67 total cpu time spent up to now is 28.8 secs Computing kpt #: 68 total cpu time spent up to now is 29.1 secs Computing kpt #: 69 total cpu time spent up to now is 29.4 secs Computing kpt #: 70 total cpu time spent up to now is 29.6 secs Computing kpt #: 71 total cpu time spent up to now is 29.9 secs Computing kpt #: 72 total cpu time spent up to now is 30.2 secs Computing kpt #: 73 total cpu time spent up to now is 30.5 secs Computing kpt #: 74 total cpu time spent up to now is 30.7 secs Computing kpt #: 75 total cpu time spent up to now is 31.0 secs Computing kpt #: 76 total cpu time spent up to now is 31.2 secs Computing kpt #: 77 total cpu time spent up to now is 31.5 secs Computing kpt #: 78 total cpu time spent up to now is 31.8 secs Computing kpt #: 79 total cpu time spent up to now is 32.0 secs Computing kpt #: 80 total cpu time spent up to now is 32.3 secs Computing kpt #: 81 total cpu time spent up to now is 32.5 secs Computing kpt #: 82 total cpu time spent up to now is 32.8 secs Computing kpt #: 83 total cpu time spent up to now is 33.1 secs Computing kpt #: 84 total cpu time spent up to now is 33.4 secs Computing kpt #: 85 total cpu time spent up to now is 33.6 secs Computing kpt #: 86 total cpu time spent up to now is 33.9 secs Computing kpt #: 87 total cpu time spent up to now is 34.2 secs Computing kpt #: 88 total cpu time spent up to now is 34.4 secs Computing kpt #: 89 total cpu time spent up to now is 34.7 secs Computing kpt #: 90 total cpu time spent up to now is 35.0 secs Computing kpt #: 91 total cpu time spent up to now is 35.2 secs Computing kpt #: 92 total cpu time spent up to now is 35.5 secs Computing kpt #: 93 total cpu time spent up to now is 35.7 secs Computing kpt #: 94 total cpu time spent up to now is 36.0 secs Computing kpt #: 95 total cpu time spent up to now is 36.2 secs Computing kpt #: 96 total cpu time spent up to now is 36.4 secs Computing kpt #: 97 total cpu time spent up to now is 36.7 secs Computing kpt #: 98 total cpu time spent up to now is 37.0 secs Computing kpt #: 99 total cpu time spent up to now is 37.2 secs Computing kpt #: 100 total cpu time spent up to now is 37.5 secs Computing kpt #: 101 total cpu time spent up to now is 37.8 secs Computing kpt #: 102 total cpu time spent up to now is 38.0 secs Computing kpt #: 103 total cpu time spent up to now is 38.3 secs Computing kpt #: 104 total cpu time spent up to now is 38.6 secs Computing kpt #: 105 total cpu time spent up to now is 38.8 secs Computing kpt #: 106 total cpu time spent up to now is 39.1 secs Computing kpt #: 107 total cpu time spent up to now is 39.4 secs Computing kpt #: 108 total cpu time spent up to now is 39.6 secs Computing kpt #: 109 total cpu time spent up to now is 39.9 secs Computing kpt #: 110 total cpu time spent up to now is 40.2 secs Computing kpt #: 111 total cpu time spent up to now is 40.4 secs Computing kpt #: 112 total cpu time spent up to now is 40.7 secs Computing kpt #: 113 total cpu time spent up to now is 41.0 secs Computing kpt #: 114 total cpu time spent up to now is 41.3 secs Computing kpt #: 115 total cpu time spent up to now is 41.6 secs Computing kpt #: 116 total cpu time spent up to now is 41.9 secs Computing kpt #: 117 total cpu time spent up to now is 42.1 secs Computing kpt #: 118 total cpu time spent up to now is 42.4 secs Computing kpt #: 119 total cpu time spent up to now is 42.7 secs Computing kpt #: 120 total cpu time spent up to now is 43.0 secs Computing kpt #: 121 total cpu time spent up to now is 43.3 secs Computing kpt #: 122 total cpu time spent up to now is 43.6 secs Computing kpt #: 123 total cpu time spent up to now is 43.9 secs Computing kpt #: 124 total cpu time spent up to now is 44.1 secs Computing kpt #: 125 total cpu time spent up to now is 44.4 secs Computing kpt #: 126 total cpu time spent up to now is 44.7 secs Computing kpt #: 127 total cpu time spent up to now is 45.0 secs Computing kpt #: 128 total cpu time spent up to now is 45.2 secs Computing kpt #: 129 total cpu time spent up to now is 45.6 secs Computing kpt #: 130 total cpu time spent up to now is 45.9 secs Computing kpt #: 131 total cpu time spent up to now is 46.2 secs Computing kpt #: 132 total cpu time spent up to now is 46.4 secs Computing kpt #: 133 total cpu time spent up to now is 46.7 secs Computing kpt #: 134 total cpu time spent up to now is 47.1 secs Computing kpt #: 135 total cpu time spent up to now is 47.4 secs Computing kpt #: 136 total cpu time spent up to now is 47.7 secs Computing kpt #: 137 total cpu time spent up to now is 48.0 secs Computing kpt #: 138 total cpu time spent up to now is 48.3 secs Computing kpt #: 139 total cpu time spent up to now is 48.6 secs Computing kpt #: 140 total cpu time spent up to now is 49.0 secs Computing kpt #: 141 total cpu time spent up to now is 49.3 secs Computing kpt #: 142 total cpu time spent up to now is 49.6 secs Computing kpt #: 143 total cpu time spent up to now is 50.0 secs Computing kpt #: 144 total cpu time spent up to now is 50.3 secs Computing kpt #: 145 total cpu time spent up to now is 50.6 secs Computing kpt #: 146 total cpu time spent up to now is 51.0 secs Computing kpt #: 147 total cpu time spent up to now is 51.5 secs Computing kpt #: 148 total cpu time spent up to now is 52.1 secs Computing kpt #: 149 total cpu time spent up to now is 52.6 secs Computing kpt #: 150 total cpu time spent up to now is 52.9 secs Computing kpt #: 151 total cpu time spent up to now is 53.3 secs Computing kpt #: 152 total cpu time spent up to now is 53.9 secs Computing kpt #: 153 total cpu time spent up to now is 54.3 secs Computing kpt #: 154 total cpu time spent up to now is 54.7 secs Computing kpt #: 155 total cpu time spent up to now is 55.0 secs Computing kpt #: 156 total cpu time spent up to now is 55.4 secs Computing kpt #: 157 total cpu time spent up to now is 55.7 secs Computing kpt #: 158 total cpu time spent up to now is 56.1 secs Computing kpt #: 159 total cpu time spent up to now is 56.4 secs Computing kpt #: 160 total cpu time spent up to now is 56.8 secs Computing kpt #: 161 total cpu time spent up to now is 57.1 secs Computing kpt #: 162 total cpu time spent up to now is 57.5 secs Computing kpt #: 163 total cpu time spent up to now is 57.8 secs Computing kpt #: 164 total cpu time spent up to now is 58.1 secs Computing kpt #: 165 total cpu time spent up to now is 58.5 secs Computing kpt #: 166 total cpu time spent up to now is 58.8 secs Computing kpt #: 167 total cpu time spent up to now is 59.1 secs Computing kpt #: 168 total cpu time spent up to now is 59.4 secs Computing kpt #: 169 total cpu time spent up to now is 59.7 secs Computing kpt #: 170 total cpu time spent up to now is 60.0 secs Computing kpt #: 171 total cpu time spent up to now is 60.3 secs Computing kpt #: 172 total cpu time spent up to now is 60.6 secs Computing kpt #: 173 total cpu time spent up to now is 60.8 secs Computing kpt #: 174 total cpu time spent up to now is 61.1 secs Computing kpt #: 175 total cpu time spent up to now is 61.4 secs Computing kpt #: 176 total cpu time spent up to now is 61.7 secs Computing kpt #: 177 total cpu time spent up to now is 62.0 secs Computing kpt #: 178 total cpu time spent up to now is 62.2 secs Computing kpt #: 179 total cpu time spent up to now is 62.5 secs Computing kpt #: 180 total cpu time spent up to now is 62.7 secs Computing kpt #: 181 total cpu time spent up to now is 63.0 secs Computing kpt #: 182 total cpu time spent up to now is 63.3 secs Computing kpt #: 183 total cpu time spent up to now is 63.5 secs Computing kpt #: 184 total cpu time spent up to now is 63.8 secs Computing kpt #: 185 total cpu time spent up to now is 64.1 secs Computing kpt #: 186 total cpu time spent up to now is 64.3 secs Computing kpt #: 187 total cpu time spent up to now is 64.5 secs Computing kpt #: 188 total cpu time spent up to now is 64.8 secs Computing kpt #: 189 total cpu time spent up to now is 65.1 secs Computing kpt #: 190 total cpu time spent up to now is 65.3 secs Computing kpt #: 191 total cpu time spent up to now is 65.5 secs Computing kpt #: 192 total cpu time spent up to now is 65.7 secs Computing kpt #: 193 total cpu time spent up to now is 66.0 secs Computing kpt #: 194 total cpu time spent up to now is 66.3 secs Computing kpt #: 195 total cpu time spent up to now is 66.5 secs Computing kpt #: 196 total cpu time spent up to now is 66.7 secs Computing kpt #: 197 total cpu time spent up to now is 67.0 secs Computing kpt #: 198 total cpu time spent up to now is 67.2 secs Computing kpt #: 199 total cpu time spent up to now is 67.5 secs Computing kpt #: 200 total cpu time spent up to now is 67.8 secs Computing kpt #: 201 total cpu time spent up to now is 68.0 secs Computing kpt #: 202 total cpu time spent up to now is 68.3 secs Computing kpt #: 203 total cpu time spent up to now is 68.5 secs Computing kpt #: 204 total cpu time spent up to now is 68.7 secs Computing kpt #: 205 total cpu time spent up to now is 69.0 secs Computing kpt #: 206 total cpu time spent up to now is 69.2 secs Computing kpt #: 207 total cpu time spent up to now is 69.5 secs Computing kpt #: 208 total cpu time spent up to now is 69.7 secs Computing kpt #: 209 total cpu time spent up to now is 70.0 secs Computing kpt #: 210 total cpu time spent up to now is 70.2 secs Computing kpt #: 211 total cpu time spent up to now is 70.5 secs Computing kpt #: 212 total cpu time spent up to now is 70.8 secs Computing kpt #: 213 total cpu time spent up to now is 71.0 secs Computing kpt #: 214 total cpu time spent up to now is 71.3 secs Computing kpt #: 215 total cpu time spent up to now is 71.5 secs Computing kpt #: 216 total cpu time spent up to now is 71.8 secs Computing kpt #: 217 total cpu time spent up to now is 72.0 secs Computing kpt #: 218 total cpu time spent up to now is 72.3 secs Computing kpt #: 219 total cpu time spent up to now is 72.5 secs Computing kpt #: 220 total cpu time spent up to now is 72.7 secs Computing kpt #: 221 total cpu time spent up to now is 73.0 secs Computing kpt #: 222 total cpu time spent up to now is 73.2 secs Computing kpt #: 223 total cpu time spent up to now is 73.5 secs Computing kpt #: 224 total cpu time spent up to now is 73.7 secs Computing kpt #: 225 total cpu time spent up to now is 73.9 secs Computing kpt #: 226 total cpu time spent up to now is 74.2 secs Computing kpt #: 227 total cpu time spent up to now is 74.4 secs Computing kpt #: 228 total cpu time spent up to now is 74.6 secs Computing kpt #: 229 total cpu time spent up to now is 74.9 secs Computing kpt #: 230 total cpu time spent up to now is 75.1 secs Computing kpt #: 231 total cpu time spent up to now is 75.3 secs Computing kpt #: 232 total cpu time spent up to now is 75.6 secs Computing kpt #: 233 total cpu time spent up to now is 75.8 secs Computing kpt #: 234 total cpu time spent up to now is 76.0 secs Computing kpt #: 235 total cpu time spent up to now is 76.3 secs Computing kpt #: 236 total cpu time spent up to now is 76.6 secs Computing kpt #: 237 total cpu time spent up to now is 76.9 secs Computing kpt #: 238 total cpu time spent up to now is 77.2 secs Computing kpt #: 239 total cpu time spent up to now is 77.6 secs Computing kpt #: 240 total cpu time spent up to now is 77.9 secs Computing kpt #: 241 total cpu time spent up to now is 78.2 secs Computing kpt #: 242 total cpu time spent up to now is 78.6 secs Computing kpt #: 243 total cpu time spent up to now is 78.9 secs Computing kpt #: 244 total cpu time spent up to now is 79.1 secs Computing kpt #: 245 total cpu time spent up to now is 79.3 secs Computing kpt #: 246 total cpu time spent up to now is 79.5 secs Computing kpt #: 247 total cpu time spent up to now is 79.8 secs Computing kpt #: 248 total cpu time spent up to now is 80.0 secs Computing kpt #: 249 total cpu time spent up to now is 80.2 secs Computing kpt #: 250 total cpu time spent up to now is 80.3 secs Computing kpt #: 251 total cpu time spent up to now is 80.5 secs Computing kpt #: 252 total cpu time spent up to now is 80.7 secs Computing kpt #: 253 total cpu time spent up to now is 80.9 secs Computing kpt #: 254 total cpu time spent up to now is 81.1 secs Computing kpt #: 255 total cpu time spent up to now is 81.3 secs Computing kpt #: 256 total cpu time spent up to now is 81.5 secs Computing kpt #: 257 total cpu time spent up to now is 81.6 secs Computing kpt #: 258 total cpu time spent up to now is 81.8 secs Computing kpt #: 259 total cpu time spent up to now is 82.0 secs Computing kpt #: 260 total cpu time spent up to now is 82.2 secs Computing kpt #: 261 total cpu time spent up to now is 82.4 secs Computing kpt #: 262 total cpu time spent up to now is 82.6 secs Computing kpt #: 263 total cpu time spent up to now is 82.8 secs Computing kpt #: 264 total cpu time spent up to now is 82.9 secs Computing kpt #: 265 total cpu time spent up to now is 83.1 secs Computing kpt #: 266 total cpu time spent up to now is 83.3 secs Computing kpt #: 267 total cpu time spent up to now is 83.5 secs Computing kpt #: 268 total cpu time spent up to now is 83.7 secs Computing kpt #: 269 total cpu time spent up to now is 83.9 secs Computing kpt #: 270 total cpu time spent up to now is 84.1 secs Computing kpt #: 271 total cpu time spent up to now is 84.3 secs Computing kpt #: 272 total cpu time spent up to now is 84.4 secs Computing kpt #: 273 total cpu time spent up to now is 84.6 secs Computing kpt #: 274 total cpu time spent up to now is 84.8 secs Computing kpt #: 275 total cpu time spent up to now is 85.0 secs Computing kpt #: 276 total cpu time spent up to now is 85.2 secs Computing kpt #: 277 total cpu time spent up to now is 85.4 secs Computing kpt #: 278 total cpu time spent up to now is 85.6 secs Computing kpt #: 279 total cpu time spent up to now is 85.8 secs Computing kpt #: 280 total cpu time spent up to now is 86.0 secs Computing kpt #: 281 total cpu time spent up to now is 86.3 secs Computing kpt #: 282 total cpu time spent up to now is 86.5 secs Computing kpt #: 283 total cpu time spent up to now is 86.7 secs Computing kpt #: 284 total cpu time spent up to now is 86.9 secs Computing kpt #: 285 total cpu time spent up to now is 87.1 secs Computing kpt #: 286 total cpu time spent up to now is 87.3 secs Computing kpt #: 287 total cpu time spent up to now is 87.5 secs Computing kpt #: 288 total cpu time spent up to now is 87.7 secs Computing kpt #: 289 total cpu time spent up to now is 87.9 secs Computing kpt #: 290 total cpu time spent up to now is 88.1 secs Computing kpt #: 291 total cpu time spent up to now is 88.2 secs Computing kpt #: 292 total cpu time spent up to now is 88.4 secs Computing kpt #: 293 total cpu time spent up to now is 88.6 secs Computing kpt #: 294 total cpu time spent up to now is 88.8 secs Computing kpt #: 295 total cpu time spent up to now is 89.0 secs Computing kpt #: 296 total cpu time spent up to now is 89.2 secs Computing kpt #: 297 total cpu time spent up to now is 89.3 secs Computing kpt #: 298 total cpu time spent up to now is 89.5 secs Computing kpt #: 299 total cpu time spent up to now is 89.7 secs Computing kpt #: 300 total cpu time spent up to now is 89.9 secs Computing kpt #: 301 total cpu time spent up to now is 90.1 secs Computing kpt #: 302 total cpu time spent up to now is 90.3 secs Computing kpt #: 303 total cpu time spent up to now is 90.4 secs Computing kpt #: 304 total cpu time spent up to now is 90.6 secs Computing kpt #: 305 total cpu time spent up to now is 90.8 secs Computing kpt #: 306 total cpu time spent up to now is 91.0 secs Computing kpt #: 307 total cpu time spent up to now is 91.2 secs Computing kpt #: 308 total cpu time spent up to now is 91.4 secs Computing kpt #: 309 total cpu time spent up to now is 91.6 secs Computing kpt #: 310 total cpu time spent up to now is 91.8 secs Computing kpt #: 311 total cpu time spent up to now is 91.9 secs Computing kpt #: 312 total cpu time spent up to now is 92.1 secs Computing kpt #: 313 total cpu time spent up to now is 92.4 secs Computing kpt #: 314 total cpu time spent up to now is 92.6 secs Computing kpt #: 315 total cpu time spent up to now is 92.8 secs Computing kpt #: 316 total cpu time spent up to now is 93.1 secs Computing kpt #: 317 total cpu time spent up to now is 93.3 secs Computing kpt #: 318 total cpu time spent up to now is 93.5 secs Computing kpt #: 319 total cpu time spent up to now is 93.7 secs Computing kpt #: 320 total cpu time spent up to now is 94.0 secs Computing kpt #: 321 total cpu time spent up to now is 94.2 secs Computing kpt #: 322 total cpu time spent up to now is 94.4 secs Computing kpt #: 323 total cpu time spent up to now is 94.6 secs Computing kpt #: 324 total cpu time spent up to now is 94.9 secs Computing kpt #: 325 total cpu time spent up to now is 95.1 secs Computing kpt #: 326 total cpu time spent up to now is 95.4 secs Computing kpt #: 327 total cpu time spent up to now is 95.7 secs Computing kpt #: 328 total cpu time spent up to now is 96.0 secs Computing kpt #: 329 total cpu time spent up to now is 96.3 secs Computing kpt #: 330 total cpu time spent up to now is 96.5 secs Computing kpt #: 331 total cpu time spent up to now is 96.8 secs Computing kpt #: 332 total cpu time spent up to now is 97.0 secs Computing kpt #: 333 total cpu time spent up to now is 97.2 secs Computing kpt #: 334 total cpu time spent up to now is 97.5 secs Computing kpt #: 335 total cpu time spent up to now is 97.8 secs Computing kpt #: 336 total cpu time spent up to now is 98.1 secs Computing kpt #: 337 total cpu time spent up to now is 98.3 secs Computing kpt #: 338 total cpu time spent up to now is 98.5 secs Computing kpt #: 339 total cpu time spent up to now is 98.8 secs Computing kpt #: 340 total cpu time spent up to now is 99.0 secs Computing kpt #: 341 total cpu time spent up to now is 99.3 secs Computing kpt #: 342 total cpu time spent up to now is 99.5 secs Computing kpt #: 343 total cpu time spent up to now is 99.8 secs Computing kpt #: 344 total cpu time spent up to now is 100.1 secs Computing kpt #: 345 total cpu time spent up to now is 100.4 secs Computing kpt #: 346 total cpu time spent up to now is 100.7 secs Computing kpt #: 347 total cpu time spent up to now is 101.0 secs Computing kpt #: 348 total cpu time spent up to now is 101.3 secs Computing kpt #: 349 total cpu time spent up to now is 101.6 secs Computing kpt #: 350 total cpu time spent up to now is 101.8 secs Computing kpt #: 351 total cpu time spent up to now is 102.1 secs Computing kpt #: 352 total cpu time spent up to now is 102.4 secs Computing kpt #: 353 total cpu time spent up to now is 102.6 secs Computing kpt #: 354 total cpu time spent up to now is 102.9 secs Computing kpt #: 355 total cpu time spent up to now is 103.2 secs Computing kpt #: 356 total cpu time spent up to now is 103.5 secs Computing kpt #: 357 total cpu time spent up to now is 103.8 secs Computing kpt #: 358 total cpu time spent up to now is 104.1 secs Computing kpt #: 359 total cpu time spent up to now is 104.4 secs Computing kpt #: 360 total cpu time spent up to now is 104.7 secs Computing kpt #: 361 total cpu time spent up to now is 105.0 secs Computing kpt #: 362 total cpu time spent up to now is 105.3 secs Computing kpt #: 363 total cpu time spent up to now is 105.6 secs Computing kpt #: 364 total cpu time spent up to now is 106.0 secs Computing kpt #: 365 total cpu time spent up to now is 106.3 secs Computing kpt #: 366 total cpu time spent up to now is 106.6 secs Computing kpt #: 367 total cpu time spent up to now is 106.9 secs Computing kpt #: 368 total cpu time spent up to now is 107.3 secs Computing kpt #: 369 total cpu time spent up to now is 107.6 secs Computing kpt #: 370 total cpu time spent up to now is 107.9 secs Computing kpt #: 371 total cpu time spent up to now is 108.2 secs Computing kpt #: 372 total cpu time spent up to now is 108.5 secs Computing kpt #: 373 total cpu time spent up to now is 108.8 secs Computing kpt #: 374 total cpu time spent up to now is 109.6 secs Computing kpt #: 375 total cpu time spent up to now is 109.8 secs Computing kpt #: 376 total cpu time spent up to now is 110.0 secs Computing kpt #: 377 total cpu time spent up to now is 110.3 secs Computing kpt #: 378 total cpu time spent up to now is 110.5 secs Computing kpt #: 379 total cpu time spent up to now is 110.8 secs Computing kpt #: 380 total cpu time spent up to now is 111.0 secs Computing kpt #: 381 total cpu time spent up to now is 111.3 secs Computing kpt #: 382 total cpu time spent up to now is 111.6 secs Computing kpt #: 383 total cpu time spent up to now is 111.8 secs Computing kpt #: 384 total cpu time spent up to now is 112.1 secs Computing kpt #: 385 total cpu time spent up to now is 112.3 secs Computing kpt #: 386 total cpu time spent up to now is 112.5 secs Computing kpt #: 387 total cpu time spent up to now is 112.7 secs Computing kpt #: 388 total cpu time spent up to now is 112.9 secs Computing kpt #: 389 total cpu time spent up to now is 113.1 secs Computing kpt #: 390 total cpu time spent up to now is 113.3 secs Computing kpt #: 391 total cpu time spent up to now is 113.4 secs Computing kpt #: 392 total cpu time spent up to now is 113.6 secs Computing kpt #: 393 total cpu time spent up to now is 113.8 secs Computing kpt #: 394 total cpu time spent up to now is 114.0 secs Computing kpt #: 395 total cpu time spent up to now is 114.2 secs Computing kpt #: 396 total cpu time spent up to now is 114.4 secs Computing kpt #: 397 total cpu time spent up to now is 114.5 secs Computing kpt #: 398 total cpu time spent up to now is 114.7 secs Computing kpt #: 399 total cpu time spent up to now is 114.9 secs Computing kpt #: 400 total cpu time spent up to now is 115.1 secs Computing kpt #: 401 total cpu time spent up to now is 115.3 secs Computing kpt #: 402 total cpu time spent up to now is 115.5 secs Computing kpt #: 403 total cpu time spent up to now is 115.7 secs Computing kpt #: 404 total cpu time spent up to now is 115.8 secs Computing kpt #: 405 total cpu time spent up to now is 116.0 secs Computing kpt #: 406 total cpu time spent up to now is 116.2 secs Computing kpt #: 407 total cpu time spent up to now is 116.4 secs Computing kpt #: 408 total cpu time spent up to now is 116.6 secs Computing kpt #: 409 total cpu time spent up to now is 116.8 secs Computing kpt #: 410 total cpu time spent up to now is 117.0 secs Computing kpt #: 411 total cpu time spent up to now is 117.2 secs Computing kpt #: 412 total cpu time spent up to now is 117.3 secs Computing kpt #: 413 total cpu time spent up to now is 117.5 secs Computing kpt #: 414 total cpu time spent up to now is 117.7 secs ethr = 4.17E-08, avg # of iterations = 32.3 total cpu time spent up to now is 117.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1592 -13.1592 -12.7892 -12.7892 -12.7693 -12.7693 -8.1597 -8.1597 -8.1095 -8.1095 -5.6504 -5.6504 -5.5752 -5.5752 -5.5221 -5.5221 -0.1096 -0.1096 9.1360 9.1360 9.9128 9.9128 10.8328 10.8328 12.2451 12.2451 13.3770 13.3770 13.4044 13.4046 k = 0.0000 0.0114-0.0000 ( 2159 PWs) bands (ev): -31.9380 -31.9380 -13.1593 -13.1593 -12.7893 -12.7893 -12.7693 -12.7693 -8.1596 -8.1596 -8.1094 -8.1094 -5.6503 -5.6503 -5.5752 -5.5752 -5.5221 -5.5221 -0.1083 -0.1083 9.1357 9.1357 9.9143 9.9143 10.8304 10.8304 12.2352 12.2352 13.2962 13.2962 13.4049 13.4052 k = 0.0000 0.0227-0.0000 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1594 -13.1594 -12.7894 -12.7894 -12.7697 -12.7697 -8.1595 -8.1595 -8.1094 -8.1094 -5.6501 -5.6501 -5.5750 -5.5750 -5.5223 -5.5223 -0.1041 -0.1041 9.1346 9.1346 9.9190 9.9190 10.8225 10.8225 12.2059 12.2059 13.1933 13.1933 13.4062 13.4068 k = 0.0000 0.0341-0.0000 ( 2159 PWs) bands (ev): -31.9379 -31.9379 -13.1597 -13.1597 -12.7895 -12.7895 -12.7702 -12.7702 -8.1593 -8.1593 -8.1093 -8.1093 -5.6496 -5.6496 -5.5748 -5.5748 -5.5226 -5.5226 -0.0971 -0.0971 9.1328 9.1328 9.9267 9.9267 10.8086 10.8086 12.1589 12.1589 13.0991 13.0991 13.4083 13.4108 k = 0.0000 0.0455-0.0000 ( 2155 PWs) bands (ev): -31.9378 -31.9378 -13.1601 -13.1601 -12.7897 -12.7897 -12.7708 -12.7708 -8.1590 -8.1590 -8.1092 -8.1092 -5.6490 -5.6490 -5.5745 -5.5745 -5.5230 -5.5230 -0.0873 -0.0873 9.1302 9.1302 9.9374 9.9374 10.7871 10.7871 12.0974 12.0974 13.0161 13.0161 13.4107 13.4109 k = 0.0000 0.0568-0.0000 ( 2155 PWs) bands (ev): -31.9376 -31.9376 -13.1606 -13.1606 -12.7901 -12.7901 -12.7717 -12.7717 -8.1587 -8.1587 -8.1091 -8.1091 -5.6482 -5.6482 -5.5741 -5.5741 -5.5235 -5.5235 -0.0748 -0.0748 9.1266 9.1266 9.9511 9.9511 10.7563 10.7563 12.0261 12.0261 12.9442 12.9442 13.4132 13.4138 k = 0.0000 0.0682-0.0000 ( 2153 PWs) bands (ev): -31.9374 -31.9374 -13.1612 -13.1612 -12.7906 -12.7906 -12.7726 -12.7726 -8.1582 -8.1582 -8.1090 -8.1090 -5.6473 -5.6473 -5.5737 -5.5737 -5.5241 -5.5241 -0.0595 -0.0595 9.1218 9.1218 9.9678 9.9678 10.7139 10.7139 11.9514 11.9514 12.8818 12.8818 13.4157 13.4160 k = 0.0000 0.0795-0.0000 ( 2153 PWs) bands (ev): -31.9372 -31.9372 -13.1619 -13.1619 -12.7913 -12.7913 -12.7735 -12.7735 -8.1577 -8.1577 -8.1088 -8.1088 -5.6462 -5.6462 -5.5731 -5.5731 -5.5248 -5.5248 -0.0415 -0.0415 9.1156 9.1156 9.9872 9.9872 10.6576 10.6576 11.8794 11.8794 12.8269 12.8269 13.4182 13.4203 k = 0.0000 0.0909-0.0000 ( 2153 PWs) bands (ev): -31.9370 -31.9370 -13.1628 -13.1628 -12.7922 -12.7922 -12.7745 -12.7745 -8.1572 -8.1572 -8.1086 -8.1086 -5.6450 -5.6450 -5.5724 -5.5724 -5.5256 -5.5256 -0.0207 -0.0207 9.1077 9.1077 10.0093 10.0093 10.5855 10.5855 11.8158 11.8158 12.7774 12.7774 13.4206 13.4206 k = 0.0000 0.1023-0.0000 ( 2153 PWs) bands (ev): -31.9367 -31.9367 -13.1638 -13.1638 -12.7934 -12.7934 -12.7753 -12.7753 -8.1566 -8.1566 -8.1083 -8.1083 -5.6437 -5.6437 -5.5717 -5.5717 -5.5264 -5.5264 0.0027 0.0027 9.0976 9.0976 10.0340 10.0340 10.4974 10.4974 11.7644 11.7644 12.7318 12.7318 13.4231 13.4231 k = 0.0000 0.1136-0.0000 ( 2153 PWs) bands (ev): -31.9364 -31.9364 -13.1648 -13.1648 -12.7949 -12.7949 -12.7760 -12.7760 -8.1559 -8.1559 -8.1080 -8.1080 -5.6423 -5.6423 -5.5708 -5.5708 -5.5274 -5.5274 0.0288 0.0288 9.0846 9.0846 10.0612 10.0612 10.3944 10.3944 11.7271 11.7271 12.6889 12.6889 13.4257 13.4257 k = 0.0000 0.1250-0.0000 ( 2155 PWs) bands (ev): -31.9361 -31.9361 -13.1660 -13.1660 -12.7968 -12.7968 -12.7765 -12.7765 -8.1552 -8.1552 -8.1077 -8.1077 -5.6408 -5.6408 -5.5699 -5.5699 -5.5283 -5.5283 0.0576 0.0576 9.0678 9.0678 10.0904 10.0904 10.2793 10.2793 11.7039 11.7039 12.6478 12.6478 13.4283 13.4283 k = 0.0000 0.1364-0.0000 ( 2151 PWs) bands (ev): -31.9357 -31.9357 -13.1673 -13.1673 -12.7990 -12.7990 -12.7769 -12.7769 -8.1545 -8.1545 -8.1074 -8.1074 -5.6392 -5.6392 -5.5689 -5.5689 -5.5294 -5.5294 0.0890 0.0890 9.0457 9.0457 10.1192 10.1192 10.1586 10.1586 11.6936 11.6936 12.6081 12.6081 13.4311 13.4312 k = 0.0000 0.1477-0.0000 ( 2155 PWs) bands (ev): -31.9354 -31.9354 -13.1688 -13.1688 -12.8015 -12.8015 -12.7771 -12.7771 -8.1537 -8.1537 -8.1070 -8.1070 -5.6375 -5.6375 -5.5678 -5.5678 -5.5305 -5.5305 0.1229 0.1229 9.0165 9.0165 10.0267 10.0267 10.1576 10.1576 11.6948 11.6948 12.5694 12.5694 13.4339 13.4339 k = 0.0000 0.1591-0.0000 ( 2159 PWs) bands (ev): -31.9350 -31.9350 -13.1704 -13.1704 -12.8042 -12.8042 -12.7772 -12.7772 -8.1529 -8.1529 -8.1066 -8.1066 -5.6358 -5.6358 -5.5666 -5.5666 -5.5315 -5.5315 0.1593 0.1593 8.9776 8.9776 9.9013 9.9013 10.1926 10.1926 11.7058 11.7058 12.5314 12.5314 13.4370 13.4370 k = 0.0000 0.1705-0.0000 ( 2161 PWs) bands (ev): -31.9346 -31.9346 -13.1720 -13.1720 -12.8071 -12.8071 -12.7772 -12.7772 -8.1521 -8.1521 -8.1061 -8.1061 -5.6341 -5.6341 -5.5653 -5.5653 -5.5326 -5.5326 0.1982 0.1982 8.9254 8.9254 9.7826 9.7826 10.2296 10.2296 11.7252 11.7252 12.4941 12.4941 13.4401 13.4401 k = 0.0000 0.1818-0.0000 ( 2161 PWs) bands (ev): -31.9342 -31.9342 -13.1738 -13.1738 -12.8102 -12.8102 -12.7770 -12.7770 -8.1513 -8.1513 -8.1057 -8.1057 -5.6325 -5.6325 -5.5639 -5.5639 -5.5337 -5.5337 0.2395 0.2395 8.8566 8.8566 9.6761 9.6761 10.2682 10.2682 11.7520 11.7520 12.4575 12.4575 13.4434 13.4434 k = 0.0000 0.1932-0.0000 ( 2163 PWs) bands (ev): -31.9337 -31.9337 -13.1757 -13.1757 -12.8134 -12.8134 -12.7768 -12.7768 -8.1505 -8.1505 -8.1051 -8.1051 -5.6308 -5.6308 -5.5626 -5.5626 -5.5347 -5.5347 0.2831 0.2831 8.7685 8.7685 9.5858 9.5858 10.3080 10.3080 11.7851 11.7851 12.4215 12.4215 13.4467 13.4467 k = 0.0000 0.2045-0.0000 ( 2167 PWs) bands (ev): -31.9333 -31.9333 -13.1777 -13.1777 -12.8167 -12.8167 -12.7766 -12.7766 -8.1498 -8.1498 -8.1046 -8.1046 -5.6292 -5.6292 -5.5612 -5.5612 -5.5355 -5.5355 0.3290 0.3290 8.6610 8.6610 9.5132 9.5132 10.3488 10.3488 11.8238 11.8238 12.3865 12.3865 13.4501 13.4501 k = 0.0000 0.2159-0.0000 ( 2171 PWs) bands (ev): -31.9328 -31.9328 -13.1797 -13.1797 -12.8200 -12.8200 -12.7763 -12.7763 -8.1490 -8.1490 -8.1040 -8.1040 -5.6276 -5.6276 -5.5598 -5.5598 -5.5363 -5.5363 0.3770 0.3770 8.5365 8.5365 9.4567 9.4567 10.3905 10.3905 11.8674 11.8674 12.3524 12.3524 13.4536 13.4536 k = 0.0000 0.2273-0.0000 ( 2171 PWs) bands (ev): -31.9324 -31.9324 -13.1819 -13.1819 -12.8234 -12.8234 -12.7759 -12.7759 -8.1483 -8.1483 -8.1034 -8.1034 -5.6262 -5.6262 -5.5585 -5.5585 -5.5368 -5.5368 0.4271 0.4271 8.3988 8.3988 9.4132 9.4132 10.4327 10.4327 11.9153 11.9153 12.3198 12.3198 13.4571 13.4571 k = 0.0000 0.2386-0.0000 ( 2175 PWs) bands (ev): -31.9319 -31.9319 -13.1842 -13.1842 -12.8268 -12.8268 -12.7755 -12.7755 -8.1475 -8.1475 -8.1028 -8.1028 -5.6248 -5.6248 -5.5574 -5.5574 -5.5370 -5.5370 0.4791 0.4791 8.2519 8.2519 9.3797 9.3797 10.4753 10.4753 11.9662 11.9662 12.2892 12.2892 13.4607 13.4607 k = 0.0000 0.2500-0.0000 ( 2175 PWs) bands (ev): -31.9315 -31.9315 -13.1865 -13.1865 -12.8301 -12.8301 -12.7751 -12.7751 -8.1468 -8.1468 -8.1021 -8.1021 -5.6235 -5.6235 -5.5565 -5.5565 -5.5369 -5.5369 0.5330 0.5330 8.0993 8.0993 9.3532 9.3532 10.5180 10.5180 12.0185 12.0185 12.2625 12.2625 13.4644 13.4644 k = 0.0000 0.2614-0.0000 ( 2175 PWs) bands (ev): -31.9310 -31.9310 -13.1888 -13.1888 -12.8333 -12.8333 -12.7747 -12.7747 -8.1462 -8.1462 -8.1015 -8.1015 -5.6223 -5.6223 -5.5559 -5.5559 -5.5363 -5.5363 0.5885 0.5885 7.9434 7.9434 9.3317 9.3317 10.5607 10.5607 12.0674 12.0674 12.2441 12.2441 13.4680 13.4680 k = 0.0000 0.2727-0.0000 ( 2173 PWs) bands (ev): -31.9305 -31.9305 -13.1912 -13.1912 -12.8365 -12.8365 -12.7742 -12.7742 -8.1456 -8.1456 -8.1008 -8.1008 -5.6213 -5.6213 -5.5557 -5.5557 -5.5354 -5.5354 0.6454 0.6454 7.7862 7.7862 9.3139 9.3139 10.6031 10.6031 12.1004 12.1004 12.2462 12.2462 13.4717 13.4717 k = 0.0000 0.2841-0.0000 ( 2175 PWs) bands (ev): -31.9300 -31.9300 -13.1937 -13.1937 -12.8396 -12.8396 -12.7738 -12.7738 -8.1450 -8.1450 -8.1001 -8.1001 -5.6204 -5.6204 -5.5556 -5.5556 -5.5340 -5.5340 0.7037 0.7037 7.6292 7.6292 9.2988 9.2988 10.6450 10.6450 12.1047 12.1047 12.2814 12.2814 13.4752 13.4752 k = 0.0000 0.2955-0.0000 ( 2173 PWs) bands (ev): -31.9296 -31.9296 -13.1961 -13.1961 -12.8426 -12.8426 -12.7734 -12.7734 -8.1444 -8.1444 -8.0994 -8.0994 -5.6195 -5.6195 -5.5559 -5.5559 -5.5323 -5.5323 0.7631 0.7631 7.4736 7.4736 9.2857 9.2857 10.6863 10.6863 12.0900 12.0900 12.3401 12.3401 13.4788 13.4788 k = 0.0000 0.3068-0.0000 ( 2171 PWs) bands (ev): -31.9291 -31.9291 -13.1986 -13.1986 -12.8455 -12.8455 -12.7729 -12.7729 -8.1439 -8.1439 -8.0987 -8.0987 -5.6188 -5.6188 -5.5562 -5.5562 -5.5304 -5.5304 0.8233 0.8233 7.3204 7.3204 9.2740 9.2740 10.7267 10.7267 12.0686 12.0686 12.4096 12.4096 13.4822 13.4822 k = 0.0000 0.3182-0.0000 ( 2173 PWs) bands (ev): -31.9287 -31.9287 -13.2010 -13.2010 -12.8482 -12.8482 -12.7725 -12.7725 -8.1434 -8.1434 -8.0980 -8.0980 -5.6183 -5.6183 -5.5567 -5.5567 -5.5284 -5.5284 0.8840 0.8840 7.1702 7.1702 9.2636 9.2636 10.7661 10.7661 12.0453 12.0453 12.4849 12.4849 13.4856 13.4856 k = 0.0000 0.3295-0.0000 ( 2169 PWs) bands (ev): -31.9283 -31.9283 -13.2034 -13.2034 -12.8508 -12.8508 -12.7721 -12.7721 -8.1430 -8.1430 -8.0973 -8.0973 -5.6178 -5.6178 -5.5572 -5.5572 -5.5262 -5.5262 0.9450 0.9450 7.0240 7.0240 9.2541 9.2541 10.8042 10.8042 12.0218 12.0218 12.5639 12.5639 13.4889 13.4889 k = 0.0000 0.3409-0.0000 ( 2169 PWs) bands (ev): -31.9279 -31.9279 -13.2058 -13.2058 -12.8533 -12.8533 -12.7716 -12.7716 -8.1426 -8.1426 -8.0966 -8.0966 -5.6174 -5.6174 -5.5577 -5.5577 -5.5240 -5.5240 1.0060 1.0060 6.8823 6.8823 9.2454 9.2454 10.8409 10.8409 11.9988 11.9988 12.6457 12.6457 13.4920 13.4920 k = 0.0000 0.3523-0.0000 ( 2169 PWs) bands (ev): -31.9275 -31.9275 -13.2081 -13.2081 -12.8556 -12.8556 -12.7712 -12.7712 -8.1423 -8.1423 -8.0960 -8.0960 -5.6171 -5.6171 -5.5582 -5.5582 -5.5218 -5.5218 1.0664 1.0664 6.7459 6.7459 9.2374 9.2374 10.8760 10.8760 11.9768 11.9768 12.7294 12.7294 13.4951 13.4951 k = 0.0000 0.3636-0.0000 ( 2169 PWs) bands (ev): -31.9271 -31.9271 -13.2103 -13.2103 -12.8578 -12.8578 -12.7708 -12.7708 -8.1419 -8.1419 -8.0954 -8.0954 -5.6169 -5.6169 -5.5587 -5.5587 -5.5196 -5.5196 1.1259 1.1259 6.6153 6.6153 9.2301 9.2301 10.9094 10.9094 11.9560 11.9560 12.8143 12.8143 13.4980 13.4980 k = 0.0000 0.3750-0.0000 ( 2169 PWs) bands (ev): -31.9268 -31.9268 -13.2124 -13.2124 -12.8597 -12.8597 -12.7705 -12.7705 -8.1416 -8.1416 -8.0948 -8.0948 -5.6168 -5.6168 -5.5592 -5.5592 -5.5175 -5.5175 1.1840 1.1840 6.4913 6.4913 9.2234 9.2234 10.9409 10.9409 11.9365 11.9365 12.9000 12.9000 13.5007 13.5007 k = 0.0000 0.3864-0.0000 ( 2173 PWs) bands (ev): -31.9265 -31.9265 -13.2144 -13.2144 -12.8616 -12.8616 -12.7702 -12.7702 -8.1414 -8.1414 -8.0942 -8.0942 -5.6167 -5.6167 -5.5596 -5.5596 -5.5155 -5.5155 1.2402 1.2402 6.3745 6.3745 9.2172 9.2172 10.9703 10.9703 11.9184 11.9184 12.9856 12.9856 13.5032 13.5032 k = 0.0000 0.3977-0.0000 ( 2167 PWs) bands (ev): -31.9262 -31.9262 -13.2163 -13.2163 -12.8632 -12.8632 -12.7698 -12.7698 -8.1411 -8.1411 -8.0937 -8.0937 -5.6167 -5.6167 -5.5600 -5.5600 -5.5136 -5.5136 1.2939 1.2939 6.2657 6.2657 9.2116 9.2116 10.9974 10.9974 11.9020 11.9020 13.0704 13.0704 13.5055 13.5055 k = 0.0000 0.4091-0.0000 ( 2171 PWs) bands (ev): -31.9259 -31.9259 -13.2180 -13.2180 -12.8647 -12.8647 -12.7696 -12.7696 -8.1409 -8.1409 -8.0933 -8.0933 -5.6167 -5.6167 -5.5603 -5.5603 -5.5119 -5.5119 1.3444 1.3444 6.1656 6.1656 9.2065 9.2065 11.0222 11.0222 11.8870 11.8871 13.1535 13.1535 13.5077 13.5077 k = 0.0000 0.4205-0.0000 ( 2167 PWs) bands (ev): -31.9256 -31.9256 -13.2195 -13.2195 -12.8660 -12.8660 -12.7693 -12.7693 -8.1408 -8.1408 -8.0928 -8.0928 -5.6167 -5.6167 -5.5606 -5.5606 -5.5103 -5.5103 1.3912 1.3912 6.0749 6.0749 9.2020 9.2020 11.0443 11.0443 11.8738 11.8738 13.2338 13.2338 13.5096 13.5096 k = 0.0000 0.4318-0.0000 ( 2163 PWs) bands (ev): -31.9254 -31.9254 -13.2209 -13.2209 -12.8671 -12.8671 -12.7691 -12.7691 -8.1406 -8.1406 -8.0925 -8.0925 -5.6168 -5.6168 -5.5608 -5.5608 -5.5089 -5.5089 1.4335 1.4335 5.9943 5.9943 9.1981 9.1981 11.0639 11.0639 11.8622 11.8622 13.3099 13.3099 13.5113 13.5113 k = 0.0000 0.4432-0.0000 ( 2161 PWs) bands (ev): -31.9252 -31.9252 -13.2221 -13.2221 -12.8680 -12.8680 -12.7689 -12.7689 -8.1405 -8.1405 -8.0921 -8.0921 -5.6168 -5.6168 -5.5610 -5.5610 -5.5077 -5.5077 1.4708 1.4708 5.9246 5.9246 9.1948 9.1948 11.0807 11.0807 11.8524 11.8524 13.3804 13.3804 13.5127 13.5127 k = 0.0000 0.4545-0.0000 ( 2157 PWs) bands (ev): -31.9251 -31.9251 -13.2230 -13.2230 -12.8688 -12.8688 -12.7687 -12.7687 -8.1404 -8.1404 -8.0919 -8.0919 -5.6169 -5.6169 -5.5612 -5.5612 -5.5067 -5.5067 1.5023 1.5023 5.8664 5.8664 9.1921 9.1921 11.0946 11.0946 11.8443 11.8443 13.4432 13.4432 13.5139 13.5139 k = 0.0000 0.4659-0.0000 ( 2150 PWs) bands (ev): -31.9250 -31.9250 -13.2238 -13.2238 -12.8694 -12.8694 -12.7685 -12.7685 -8.1403 -8.1403 -8.0917 -8.0917 -5.6169 -5.6169 -5.5613 -5.5613 -5.5059 -5.5059 1.5275 1.5275 5.8205 5.8205 9.1899 9.1899 11.1055 11.1055 11.8380 11.8380 13.4959 13.4959 13.5150 13.5150 k = 0.0000 0.4773-0.0000 ( 2150 PWs) bands (ev): -31.9249 -31.9249 -13.2243 -13.2243 -12.8698 -12.8698 -12.7684 -12.7684 -8.1402 -8.1402 -8.0915 -8.0915 -5.6170 -5.6170 -5.5614 -5.5614 -5.5053 -5.5053 1.5459 1.5459 5.7872 5.7872 9.1884 9.1884 11.1134 11.1134 11.8335 11.8335 13.5153 13.5153 13.5367 13.5367 k = 0.0000 0.4886-0.0000 ( 2150 PWs) bands (ev): -31.9248 -31.9248 -13.2247 -13.2247 -12.8701 -12.8701 -12.7684 -12.7684 -8.1402 -8.1402 -8.0914 -8.0914 -5.6170 -5.6170 -5.5615 -5.5615 -5.5050 -5.5050 1.5571 1.5571 5.7671 5.7671 9.1874 9.1874 11.1181 11.1181 11.8308 11.8308 13.5158 13.5158 13.5621 13.5621 k = 0.0000 0.5000-0.0000 ( 2154 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7684 -12.7684 -8.1402 -8.1402 -8.0914 -8.0914 -5.6170 -5.6170 -5.5615 -5.5615 -5.5048 -5.5048 1.5609 1.5609 5.7604 5.7604 9.1871 9.1871 11.1197 11.1197 11.8299 11.8299 13.5159 13.5159 13.5708 13.5708 k = 0.0000 0.5000-0.0000 ( 2154 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7684 -12.7684 -8.1402 -8.1402 -8.0914 -8.0914 -5.6170 -5.6170 -5.5615 -5.5615 -5.5048 -5.5048 1.5609 1.5609 5.7604 5.7604 9.1871 9.1871 11.1197 11.1197 11.8299 11.8299 13.5159 13.5159 13.5708 13.5708 k = 0.0114 0.5000-0.0000 ( 2150 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7685 -12.7685 -8.1402 -8.1402 -8.0914 -8.0914 -5.6169 -5.6169 -5.5615 -5.5615 -5.5049 -5.5049 1.5619 1.5619 5.7621 5.7621 9.1887 9.1887 11.1214 11.1214 11.8247 11.8247 13.5117 13.5117 13.5698 13.5698 k = 0.0227 0.5000-0.0000 ( 2158 PWs) bands (ev): -31.9248 -31.9248 -13.2249 -13.2249 -12.8702 -12.8702 -12.7689 -12.7689 -8.1400 -8.1400 -8.0915 -8.0915 -5.6166 -5.6166 -5.5616 -5.5616 -5.5050 -5.5050 1.5650 1.5650 5.7671 5.7671 9.1933 9.1933 11.1265 11.1265 11.8091 11.8091 13.4990 13.4990 13.5665 13.5665 k = 0.0341 0.5000-0.0000 ( 2152 PWs) bands (ev): -31.9247 -31.9247 -13.2249 -13.2249 -12.8703 -12.8703 -12.7694 -12.7694 -8.1399 -8.1399 -8.0916 -8.0916 -5.6162 -5.6162 -5.5618 -5.5618 -5.5051 -5.5051 1.5701 1.5701 5.7754 5.7754 9.2010 9.2010 11.1350 11.1350 11.7834 11.7834 13.4786 13.4786 13.5604 13.5604 k = 0.0455 0.5000-0.0000 ( 2146 PWs) bands (ev): -31.9246 -31.9246 -13.2250 -13.2250 -12.8704 -12.8704 -12.7701 -12.7701 -8.1396 -8.1396 -8.0917 -8.0917 -5.6155 -5.6155 -5.5621 -5.5621 -5.5054 -5.5054 1.5773 1.5773 5.7871 5.7871 9.2118 9.2118 11.1469 11.1469 11.7478 11.7478 13.4509 13.4509 13.5507 13.5507 k = 0.0568 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9244 -31.9244 -13.2252 -13.2252 -12.8706 -12.8706 -12.7711 -12.7711 -8.1392 -8.1392 -8.0919 -8.0919 -5.6147 -5.6147 -5.5625 -5.5625 -5.5057 -5.5057 1.5865 1.5865 5.8021 5.8021 9.2256 9.2256 11.1620 11.1620 11.7026 11.7026 13.4168 13.4168 13.5365 13.5365 k = 0.0682 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9242 -31.9242 -13.2253 -13.2253 -12.8708 -12.8708 -12.7723 -12.7723 -8.1388 -8.1388 -8.0922 -8.0922 -5.6137 -5.6137 -5.5629 -5.5629 -5.5060 -5.5060 1.5978 1.5978 5.8203 5.8203 9.2424 9.2424 11.1801 11.1801 11.6485 11.6485 13.3772 13.3772 13.5170 13.5170 k = 0.0795 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9240 -31.9240 -13.2255 -13.2255 -12.8710 -12.8710 -12.7736 -12.7736 -8.1383 -8.1383 -8.0924 -8.0924 -5.6126 -5.6126 -5.5633 -5.5633 -5.5064 -5.5064 1.6111 1.6111 5.8418 5.8418 9.2621 9.2621 11.2011 11.2011 11.5858 11.5858 13.3327 13.3327 13.4911 13.4911 k = 0.0909 0.5000-0.0000 ( 2152 PWs) bands (ev): -31.9238 -31.9238 -13.2258 -13.2258 -12.8713 -12.8713 -12.7751 -12.7751 -8.1378 -8.1378 -8.0927 -8.0927 -5.6114 -5.6114 -5.5638 -5.5638 -5.5068 -5.5068 1.6263 1.6263 5.8664 5.8664 9.2846 9.2846 11.2245 11.2245 11.5154 11.5154 13.2843 13.2843 13.4584 13.4584 k = 0.1023 0.5000-0.0000 ( 2156 PWs) bands (ev): -31.9236 -31.9236 -13.2261 -13.2261 -12.8717 -12.8717 -12.7767 -12.7767 -8.1372 -8.1372 -8.0931 -8.0931 -5.6102 -5.6102 -5.5643 -5.5643 -5.5072 -5.5072 1.6436 1.6436 5.8942 5.8942 9.3099 9.3099 11.2492 11.2492 11.4388 11.4388 13.2328 13.2328 13.4186 13.4186 k = 0.1136 0.5000-0.0000 ( 2156 PWs) bands (ev): -31.9233 -31.9233 -13.2264 -13.2264 -12.8722 -12.8722 -12.7784 -12.7784 -8.1365 -8.1365 -8.0935 -8.0935 -5.6089 -5.6089 -5.5647 -5.5647 -5.5077 -5.5077 1.6628 1.6628 5.9252 5.9252 9.3379 9.3379 11.2690 11.2690 11.3624 11.3624 13.1789 13.1789 13.3719 13.3719 k = 0.1250 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9230 -31.9230 -13.2268 -13.2268 -12.8728 -12.8728 -12.7802 -12.7802 -8.1358 -8.1358 -8.0939 -8.0939 -5.6076 -5.6076 -5.5651 -5.5651 -5.5082 -5.5082 1.6840 1.6840 5.9591 5.9591 9.3683 9.3683 11.2364 11.2364 11.3341 11.3341 13.1230 13.1230 13.3188 13.3188 k = 0.1364 0.5000-0.0000 ( 2152 PWs) bands (ev): -31.9226 -31.9226 -13.2272 -13.2272 -12.8734 -12.8734 -12.7820 -12.7820 -8.1351 -8.1351 -8.0943 -8.0943 -5.6063 -5.6063 -5.5654 -5.5654 -5.5087 -5.5087 1.7070 1.7070 5.9960 5.9960 9.4010 9.4010 11.1474 11.1474 11.3586 11.3586 13.0659 13.0659 13.2602 13.2602 k = 0.1477 0.5000-0.0000 ( 2156 PWs) bands (ev): -31.9223 -31.9223 -13.2277 -13.2277 -12.8742 -12.8742 -12.7839 -12.7839 -8.1343 -8.1343 -8.0948 -8.0948 -5.6052 -5.6052 -5.5655 -5.5655 -5.5091 -5.5091 1.7320 1.7320 6.0358 6.0358 9.4356 9.4356 11.0463 11.0463 11.3916 11.3916 13.0078 13.0078 13.1974 13.1974 k = 0.1591 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9219 -31.9219 -13.2282 -13.2282 -12.8751 -12.8751 -12.7858 -12.7858 -8.1335 -8.1335 -8.0952 -8.0952 -5.6043 -5.6043 -5.5654 -5.5654 -5.5096 -5.5096 1.7588 1.7588 6.0784 6.0784 9.4717 9.4717 10.9399 10.9399 11.4271 11.4271 12.9494 12.9494 13.1315 13.1315 k = 0.1705 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9215 -31.9215 -13.2288 -13.2288 -12.8761 -12.8761 -12.7876 -12.7876 -8.1326 -8.1326 -8.0958 -8.0958 -5.6037 -5.6037 -5.5649 -5.5649 -5.5100 -5.5100 1.7873 1.7873 6.1237 6.1237 9.5086 9.5086 10.8302 10.8302 11.4637 11.4637 12.8910 12.8910 13.0636 13.0636 k = 0.1818 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9211 -31.9211 -13.2294 -13.2294 -12.8772 -12.8772 -12.7894 -12.7894 -8.1317 -8.1317 -8.0963 -8.0963 -5.6033 -5.6033 -5.5642 -5.5642 -5.5104 -5.5104 1.8177 1.8177 6.1716 6.1716 9.5454 9.5454 10.7193 10.7193 11.5005 11.5005 12.8328 12.8328 12.9949 12.9949 k = 0.1932 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9207 -31.9207 -13.2300 -13.2300 -12.8785 -12.8785 -12.7911 -12.7911 -8.1309 -8.1309 -8.0968 -8.0968 -5.6034 -5.6034 -5.5631 -5.5631 -5.5108 -5.5108 1.8497 1.8497 6.2220 6.2220 9.5803 9.5803 10.6094 10.6094 11.5367 11.5367 12.7751 12.7751 12.9262 12.9262 k = 0.2045 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9203 -31.9203 -13.2308 -13.2308 -12.8799 -12.8799 -12.7927 -12.7927 -8.1300 -8.1300 -8.0974 -8.0974 -5.6038 -5.6038 -5.5616 -5.5616 -5.5111 -5.5111 1.8833 1.8833 6.2747 6.2747 9.6108 9.6108 10.5040 10.5040 11.5713 11.5713 12.7183 12.7183 12.8584 12.8584 k = 0.2159 0.5000-0.0000 ( 2156 PWs) bands (ev): -31.9198 -31.9198 -13.2315 -13.2315 -12.8815 -12.8815 -12.7941 -12.7941 -8.1291 -8.1291 -8.0980 -8.0980 -5.6045 -5.6045 -5.5599 -5.5599 -5.5113 -5.5113 1.9184 1.9184 6.3296 6.3296 9.6324 9.6324 10.4082 10.4082 11.6035 11.6035 12.6624 12.6624 12.7919 12.7919 k = 0.2273 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9194 -31.9194 -13.2324 -13.2324 -12.8832 -12.8832 -12.7955 -12.7955 -8.1282 -8.1282 -8.0985 -8.0985 -5.6055 -5.6055 -5.5578 -5.5578 -5.5115 -5.5115 1.9549 1.9549 6.3865 6.3865 9.6385 9.6385 10.3293 10.3293 11.6320 11.6320 12.6077 12.6077 12.7272 12.7272 k = 0.2386 0.5000-0.0000 ( 2164 PWs) bands (ev): -31.9189 -31.9189 -13.2333 -13.2333 -12.8850 -12.8850 -12.7967 -12.7967 -8.1273 -8.1273 -8.0991 -8.0991 -5.6068 -5.6068 -5.5556 -5.5556 -5.5116 -5.5116 1.9928 1.9928 6.4453 6.4453 9.6210 9.6210 10.2760 10.2760 11.6558 11.6558 12.5543 12.5543 12.6647 12.6647 k = 0.2500 0.5000-0.0000 ( 2164 PWs) bands (ev): -31.9185 -31.9185 -13.2342 -13.2342 -12.8869 -12.8869 -12.7977 -12.7977 -8.1265 -8.1265 -8.0997 -8.0997 -5.6083 -5.6083 -5.5532 -5.5532 -5.5116 -5.5116 2.0320 2.0320 6.5057 6.5057 9.5750 9.5750 10.2541 10.2541 11.6736 11.6736 12.5024 12.5024 12.6045 12.6045 k = 0.2614 0.5000-0.0000 ( 2168 PWs) bands (ev): -31.9180 -31.9180 -13.2352 -13.2352 -12.8889 -12.8889 -12.7987 -12.7987 -8.1256 -8.1256 -8.1002 -8.1002 -5.6100 -5.6100 -5.5507 -5.5507 -5.5114 -5.5114 2.0722 2.0722 6.5674 6.5674 9.5027 9.5027 10.2620 10.2620 11.6842 11.6842 12.4522 12.4522 12.5469 12.5469 k = 0.2727 0.5000-0.0000 ( 2164 PWs) bands (ev): -31.9176 -31.9176 -13.2362 -13.2362 -12.8909 -12.8909 -12.7994 -12.7994 -8.1248 -8.1248 -8.1008 -8.1008 -5.6118 -5.6118 -5.5483 -5.5483 -5.5112 -5.5112 2.1133 2.1133 6.6303 6.6303 9.4116 9.4116 10.2927 10.2927 11.6865 11.6865 12.4037 12.4037 12.4919 12.4919 k = 0.2841 0.5000-0.0000 ( 2168 PWs) bands (ev): -31.9171 -31.9171 -13.2373 -13.2373 -12.8931 -12.8931 -12.8001 -12.8001 -8.1240 -8.1240 -8.1014 -8.1014 -5.6137 -5.6137 -5.5458 -5.5458 -5.5108 -5.5108 2.1552 2.1552 6.6939 6.6939 9.3094 9.3094 10.3395 10.3395 11.6795 11.6795 12.3569 12.3569 12.4395 12.4395 k = 0.2955 0.5000-0.0000 ( 2168 PWs) bands (ev): -31.9167 -31.9167 -13.2384 -13.2384 -12.8952 -12.8952 -12.8007 -12.8007 -8.1233 -8.1233 -8.1019 -8.1019 -5.6157 -5.6157 -5.5435 -5.5435 -5.5102 -5.5102 2.1977 2.1977 6.7579 6.7579 9.2018 9.2018 10.3972 10.3972 11.6629 11.6629 12.3122 12.3122 12.3899 12.3899 k = 0.3068 0.5000-0.0000 ( 2168 PWs) bands (ev): -31.9163 -31.9163 -13.2395 -13.2395 -12.8973 -12.8973 -12.8011 -12.8011 -8.1226 -8.1226 -8.1024 -8.1024 -5.6176 -5.6176 -5.5413 -5.5413 -5.5094 -5.5094 2.2406 2.2406 6.8219 6.8219 9.0924 9.0924 10.4628 10.4628 11.6364 11.6364 12.2694 12.2694 12.3429 12.3429 k = 0.3182 0.5000-0.0000 ( 2170 PWs) bands (ev): -31.9158 -31.9158 -13.2406 -13.2406 -12.8994 -12.8994 -12.8015 -12.8015 -8.1219 -8.1219 -8.1029 -8.1029 -5.6196 -5.6196 -5.5394 -5.5394 -5.5084 -5.5084 2.2837 2.2837 6.8853 6.8853 8.9840 8.9840 10.5344 10.5344 11.6004 11.6004 12.2288 12.2288 12.2986 12.2986 k = 0.3295 0.5000-0.0000 ( 2170 PWs) bands (ev): -31.9154 -31.9154 -13.2417 -13.2417 -12.9015 -12.9015 -12.8018 -12.8018 -8.1213 -8.1213 -8.1034 -8.1034 -5.6216 -5.6216 -5.5376 -5.5376 -5.5073 -5.5073 2.3266 2.3266 6.9476 6.9476 8.8786 8.8786 10.6106 10.6106 11.5558 11.5558 12.1903 12.1903 12.2570 12.2570 k = 0.3409 0.5000-0.0000 ( 2176 PWs) bands (ev): -31.9150 -31.9150 -13.2429 -13.2429 -12.9035 -12.9035 -12.8020 -12.8020 -8.1207 -8.1207 -8.1038 -8.1038 -5.6235 -5.6235 -5.5361 -5.5361 -5.5060 -5.5060 2.3693 2.3693 7.0079 7.0079 8.7777 8.7777 10.6907 10.6907 11.5037 11.5037 12.1539 12.1539 12.2180 12.2180 k = 0.3523 0.5000-0.0000 ( 2180 PWs) bands (ev): -31.9147 -31.9147 -13.2440 -13.2440 -12.9055 -12.9055 -12.8021 -12.8021 -8.1202 -8.1202 -8.1042 -8.1042 -5.6254 -5.6254 -5.5348 -5.5348 -5.5045 -5.5045 2.4112 2.4112 7.0656 7.0656 8.6828 8.6828 10.7740 10.7740 11.4457 11.4457 12.1198 12.1198 12.1817 12.1817 k = 0.3636 0.5000-0.0000 ( 2180 PWs) bands (ev): -31.9143 -31.9143 -13.2451 -13.2451 -12.9073 -12.9073 -12.8022 -12.8022 -8.1197 -8.1197 -8.1046 -8.1046 -5.6272 -5.6272 -5.5337 -5.5337 -5.5029 -5.5029 2.4522 2.4522 7.1197 7.1197 8.5953 8.5953 10.8597 10.8597 11.3835 11.3835 12.0881 12.0881 12.1481 12.1481 k = 0.3750 0.5000-0.0000 ( 2176 PWs) bands (ev): -31.9140 -31.9140 -13.2461 -13.2461 -12.9090 -12.9090 -12.8021 -12.8021 -8.1193 -8.1193 -8.1049 -8.1049 -5.6289 -5.6289 -5.5328 -5.5328 -5.5012 -5.5012 2.4919 2.4919 7.1690 7.1690 8.5164 8.5164 10.9468 10.9468 11.3196 11.3196 12.0588 12.0588 12.1173 12.1173 k = 0.3864 0.5000-0.0000 ( 2172 PWs) bands (ev): -31.9137 -31.9137 -13.2471 -13.2471 -12.9107 -12.9107 -12.8021 -12.8021 -8.1189 -8.1189 -8.1052 -8.1052 -5.6305 -5.6305 -5.5321 -5.5321 -5.4995 -5.4995 2.5299 2.5299 7.2126 7.2126 8.4473 8.4473 11.0322 11.0322 11.2581 11.2581 12.0319 12.0319 12.0891 12.0891 k = 0.3977 0.5000-0.0000 ( 2168 PWs) bands (ev): -31.9134 -31.9134 -13.2480 -13.2480 -12.9121 -12.9121 -12.8021 -12.8021 -8.1186 -8.1186 -8.1055 -8.1055 -5.6320 -5.6320 -5.5316 -5.5316 -5.4979 -5.4979 2.5659 2.5659 7.2493 7.2493 8.3890 8.3890 11.0981 11.0981 11.2184 11.2184 12.0074 12.0074 12.0637 12.0637 k = 0.4091 0.5000-0.0000 ( 2164 PWs) bands (ev): -31.9131 -31.9131 -13.2489 -13.2489 -12.9135 -12.9135 -12.8020 -12.8020 -8.1183 -8.1183 -8.1057 -8.1057 -5.6334 -5.6334 -5.5311 -5.5311 -5.4963 -5.4963 2.5995 2.5995 7.2786 7.2786 8.3422 8.3422 11.0853 11.0853 11.2607 11.2607 11.9855 11.9855 12.0409 12.0409 k = 0.4205 0.5000-0.0000 ( 2166 PWs) bands (ev): -31.9129 -31.9129 -13.2497 -13.2497 -12.9147 -12.9147 -12.8019 -12.8019 -8.1181 -8.1181 -8.1059 -8.1059 -5.6346 -5.6346 -5.5307 -5.5307 -5.4948 -5.4948 2.6302 2.6302 7.3000 7.3000 8.3068 8.3068 11.0328 11.0328 11.3473 11.3473 11.9661 11.9661 12.0208 12.0208 k = 0.4318 0.5000-0.0000 ( 2166 PWs) bands (ev): -31.9127 -31.9127 -13.2504 -13.2504 -12.9158 -12.9158 -12.8018 -12.8018 -8.1179 -8.1179 -8.1060 -8.1060 -5.6357 -5.6357 -5.5305 -5.5305 -5.4935 -5.4935 2.6578 2.6578 7.3140 7.3140 8.2822 8.2822 10.9779 10.9779 11.4419 11.4419 11.9493 11.9493 12.0034 12.0034 k = 0.4432 0.5000-0.0000 ( 2162 PWs) bands (ev): -31.9125 -31.9125 -13.2510 -13.2510 -12.9166 -12.9166 -12.8017 -12.8017 -8.1178 -8.1178 -8.1062 -8.1062 -5.6366 -5.6366 -5.5302 -5.5302 -5.4923 -5.4923 2.6819 2.6819 7.3217 7.3217 8.2668 8.2668 10.9271 10.9271 11.5384 11.5384 11.9352 11.9352 11.9887 11.9887 k = 0.4545 0.5000-0.0000 ( 2156 PWs) bands (ev): -31.9124 -31.9124 -13.2515 -13.2515 -12.9174 -12.9174 -12.8016 -12.8016 -8.1177 -8.1177 -8.1063 -8.1063 -5.6373 -5.6373 -5.5301 -5.5301 -5.4913 -5.4913 2.7021 2.7021 7.3245 7.3245 8.2586 8.2586 10.8830 10.8830 11.6344 11.6344 11.9239 11.9239 11.9767 11.9767 k = 0.4659 0.5000-0.0000 ( 2160 PWs) bands (ev): -31.9122 -31.9122 -13.2520 -13.2520 -12.9180 -12.9180 -12.8016 -12.8016 -8.1176 -8.1176 -8.1063 -8.1063 -5.6379 -5.6379 -5.5300 -5.5300 -5.4906 -5.4906 2.7181 2.7181 7.3243 7.3243 8.2553 8.2553 10.8471 10.8471 11.7268 11.7268 11.9157 11.9157 11.9674 11.9674 k = 0.4773 0.5000-0.0000 ( 2156 PWs) bands (ev): -31.9122 -31.9122 -13.2522 -13.2522 -12.9184 -12.9184 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6384 -5.6384 -5.5299 -5.5299 -5.4900 -5.4900 2.7298 2.7298 7.3228 7.3228 8.2548 8.2548 10.8206 10.8206 11.8093 11.8093 11.9119 11.9119 11.9610 11.9610 k = 0.4886 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9121 -31.9121 -13.2524 -13.2524 -12.9186 -12.9186 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6386 -5.6386 -5.5298 -5.5298 -5.4896 -5.4896 2.7368 2.7368 7.3214 7.3214 8.2551 8.2551 10.8043 10.8043 11.8655 11.8655 11.9175 11.9175 11.9577 11.9577 k = 0.5000 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9121 -31.9121 -13.2524 -13.2524 -12.9187 -12.9187 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6387 -5.6387 -5.5298 -5.5298 -5.4895 -5.4895 2.7392 2.7392 7.3208 7.3208 8.2554 8.2554 10.7988 10.7988 11.8799 11.8799 11.9276 11.9276 11.9573 11.9573 k = 0.5000 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9121 -31.9121 -13.2524 -13.2524 -12.9187 -12.9187 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6387 -5.6387 -5.5298 -5.5298 -5.4895 -5.4895 2.7392 2.7392 7.3208 7.3208 8.2554 8.2554 10.7988 10.7988 11.8799 11.8799 11.9276 11.9276 11.9573 11.9573 k = 0.4919 0.4919-0.0000 ( 2148 PWs) bands (ev): -31.9121 -31.9121 -13.2524 -13.2524 -12.9186 -12.9186 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6386 -5.6386 -5.5298 -5.5298 -5.4896 -5.4896 2.7368 2.7368 7.3214 7.3214 8.2551 8.2551 10.8044 10.8044 11.8656 11.8656 11.9172 11.9172 11.9576 11.9576 k = 0.4839 0.4839-0.0000 ( 2156 PWs) bands (ev): -31.9122 -31.9122 -13.2522 -13.2522 -12.9184 -12.9184 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6384 -5.6384 -5.5299 -5.5299 -5.4900 -5.4900 2.7297 2.7297 7.3233 7.3233 8.2543 8.2543 10.8208 10.8208 11.8105 11.8105 11.9101 11.9101 11.9608 11.9608 k = 0.4758 0.4758-0.0000 ( 2156 PWs) bands (ev): -31.9122 -31.9122 -13.2519 -13.2519 -12.9180 -12.9180 -12.8016 -12.8016 -8.1176 -8.1176 -8.1063 -8.1063 -5.6379 -5.6379 -5.5300 -5.5300 -5.4906 -5.4906 2.7178 2.7178 7.3264 7.3264 8.2533 8.2533 10.8477 10.8477 11.7297 11.7297 11.9114 11.9114 11.9669 11.9669 k = 0.4677 0.4677-0.0000 ( 2156 PWs) bands (ev): -31.9124 -31.9124 -13.2515 -13.2515 -12.9174 -12.9174 -12.8017 -12.8017 -8.1176 -8.1176 -8.1063 -8.1063 -5.6373 -5.6373 -5.5301 -5.5301 -5.4914 -5.4914 2.7012 2.7012 7.3307 7.3307 8.2524 8.2524 10.8843 10.8843 11.6396 11.6396 11.9159 11.9159 11.9757 11.9757 k = 0.4597 0.4597-0.0000 ( 2164 PWs) bands (ev): -31.9125 -31.9125 -13.2510 -13.2510 -12.9166 -12.9166 -12.8018 -12.8018 -8.1178 -8.1178 -8.1062 -8.1062 -5.6366 -5.6366 -5.5302 -5.5302 -5.4924 -5.4924 2.6801 2.6801 7.3365 7.3365 8.2520 8.2520 10.9295 10.9295 11.5463 11.5463 11.9225 11.9225 11.9870 11.9870 k = 0.4516 0.4516-0.0000 ( 2166 PWs) bands (ev): -31.9127 -31.9127 -13.2503 -13.2503 -12.9157 -12.9157 -12.8019 -12.8019 -8.1179 -8.1179 -8.1061 -8.1061 -5.6356 -5.6356 -5.5304 -5.5304 -5.4937 -5.4937 2.6544 2.6544 7.3437 7.3437 8.2527 8.2527 10.9820 10.9820 11.4532 11.4532 11.9308 11.9308 12.0007 12.0007 k = 0.4435 0.4435-0.0000 ( 2164 PWs) bands (ev): -31.9129 -31.9129 -13.2496 -13.2496 -12.9146 -12.9146 -12.8020 -12.8020 -8.1181 -8.1181 -8.1060 -8.1060 -5.6345 -5.6345 -5.5306 -5.5306 -5.4952 -5.4952 2.6243 2.6243 7.3524 7.3524 8.2550 8.2550 11.0393 11.0393 11.3627 11.3627 11.9406 11.9406 12.0166 12.0166 k = 0.4355 0.4355-0.0000 ( 2166 PWs) bands (ev): -31.9131 -31.9131 -13.2487 -13.2487 -12.9134 -12.9134 -12.8021 -12.8021 -8.1182 -8.1182 -8.1058 -8.1058 -5.6332 -5.6332 -5.5308 -5.5308 -5.4968 -5.4968 2.5899 2.5899 7.3627 7.3627 8.2593 8.2593 11.0948 11.0948 11.2809 11.2809 11.9519 11.9519 12.0345 12.0345 k = 0.4274 0.4274-0.0000 ( 2170 PWs) bands (ev): -31.9134 -31.9134 -13.2477 -13.2477 -12.9120 -12.9120 -12.8022 -12.8022 -8.1185 -8.1185 -8.1057 -8.1057 -5.6318 -5.6318 -5.5311 -5.5311 -5.4987 -5.4987 2.5514 2.5514 7.3749 7.3749 8.2661 8.2661 11.1138 11.1138 11.2417 11.2417 11.9645 11.9645 12.0540 12.0540 k = 0.4194 0.4194-0.0000 ( 2162 PWs) bands (ev): -31.9137 -31.9137 -13.2466 -13.2466 -12.9104 -12.9104 -12.8023 -12.8023 -8.1187 -8.1187 -8.1055 -8.1055 -5.6303 -5.6303 -5.5314 -5.5314 -5.5008 -5.5008 2.5090 2.5090 7.3890 7.3890 8.2758 8.2758 11.0565 11.0565 11.2839 11.2839 11.9785 11.9785 12.0746 12.0746 k = 0.4113 0.4113-0.0000 ( 2158 PWs) bands (ev): -31.9140 -31.9140 -13.2453 -13.2453 -12.9086 -12.9086 -12.8024 -12.8024 -8.1190 -8.1190 -8.1054 -8.1054 -5.6285 -5.6285 -5.5318 -5.5318 -5.5031 -5.5031 2.4628 2.4628 7.4053 7.4053 8.2887 8.2887 10.9771 10.9771 11.3521 11.3521 11.9938 11.9938 12.0956 12.0956 k = 0.4032 0.4032-0.0000 ( 2162 PWs) bands (ev): -31.9144 -31.9144 -13.2440 -13.2440 -12.9068 -12.9068 -12.8026 -12.8026 -8.1193 -8.1193 -8.1052 -8.1052 -5.6267 -5.6267 -5.5321 -5.5321 -5.5056 -5.5056 2.4130 2.4130 7.4238 7.4238 8.3049 8.3049 10.8953 10.8953 11.4257 11.4257 12.0104 12.0104 12.1162 12.1162 k = 0.3952 0.3952-0.0000 ( 2166 PWs) bands (ev): -31.9148 -31.9148 -13.2426 -13.2426 -12.9048 -12.9048 -12.8027 -12.8027 -8.1197 -8.1197 -8.1050 -8.1050 -5.6247 -5.6247 -5.5326 -5.5326 -5.5082 -5.5082 2.3599 2.3599 7.4449 7.4449 8.3247 8.3247 10.8146 10.8146 11.5002 11.5002 12.0283 12.0283 12.1354 12.1354 k = 0.3871 0.3871-0.0000 ( 2170 PWs) bands (ev): -31.9152 -31.9152 -13.2411 -13.2411 -12.9026 -12.9026 -12.8028 -12.8028 -8.1201 -8.1201 -8.1048 -8.1048 -5.6227 -5.6227 -5.5330 -5.5330 -5.5110 -5.5110 2.3038 2.3038 7.4686 7.4686 8.3480 8.3480 10.7358 10.7358 11.5738 11.5738 12.0474 12.0474 12.1523 12.1523 k = 0.3790 0.3790-0.0000 ( 2170 PWs) bands (ev): -31.9156 -31.9156 -13.2395 -13.2395 -12.9003 -12.9003 -12.8030 -12.8030 -8.1205 -8.1205 -8.1046 -8.1046 -5.6205 -5.6205 -5.5335 -5.5335 -5.5139 -5.5139 2.2448 2.2448 7.4951 7.4951 8.3749 8.3749 10.6595 10.6595 11.6453 11.6453 12.0677 12.0677 12.1659 12.1659 k = 0.3710 0.3710-0.0000 ( 2166 PWs) bands (ev): -31.9161 -31.9161 -13.2378 -13.2378 -12.8978 -12.8978 -12.8031 -12.8031 -8.1209 -8.1209 -8.1044 -8.1044 -5.6181 -5.6181 -5.5340 -5.5340 -5.5170 -5.5170 2.1832 2.1832 7.5246 7.5246 8.4054 8.4054 10.5857 10.5857 11.7134 11.7134 12.0892 12.0892 12.1754 12.1754 k = 0.3629 0.3629-0.0000 ( 2162 PWs) bands (ev): -31.9166 -31.9166 -13.2360 -13.2360 -12.8952 -12.8952 -12.8031 -12.8031 -8.1215 -8.1215 -8.1043 -8.1043 -5.6158 -5.6158 -5.5346 -5.5346 -5.5202 -5.5202 2.1193 2.1193 7.5571 7.5571 8.4394 8.4394 10.5147 10.5147 11.7769 11.7769 12.1115 12.1115 12.1810 12.1810 k = 0.3548 0.3548-0.0000 ( 2162 PWs) bands (ev): -31.9171 -31.9171 -13.2342 -13.2342 -12.8925 -12.8925 -12.8032 -12.8032 -8.1220 -8.1220 -8.1041 -8.1041 -5.6133 -5.6133 -5.5352 -5.5352 -5.5236 -5.5236 2.0533 2.0533 7.5928 7.5928 8.4769 8.4769 10.4466 10.4466 11.8337 11.8337 12.1342 12.1342 12.1843 12.1843 k = 0.3468 0.3468-0.0000 ( 2154 PWs) bands (ev): -31.9176 -31.9176 -13.2322 -13.2322 -12.8897 -12.8897 -12.8033 -12.8033 -8.1226 -8.1226 -8.1039 -8.1039 -5.6107 -5.6107 -5.5359 -5.5359 -5.5270 -5.5270 1.9855 1.9855 7.6317 7.6317 8.5176 8.5176 10.3814 10.3814 11.8800 11.8800 12.1562 12.1562 12.1897 12.1897 k = 0.3387 0.3387-0.0000 ( 2150 PWs) bands (ev): -31.9181 -31.9181 -13.2302 -13.2302 -12.8867 -12.8867 -12.8033 -12.8033 -8.1232 -8.1232 -8.1037 -8.1037 -5.6081 -5.6081 -5.5366 -5.5366 -5.5305 -5.5305 1.9162 1.9162 7.6739 7.6739 8.5616 8.5616 10.3193 10.3193 11.9102 11.9102 12.1764 12.1764 12.2039 12.2039 k = 0.3306 0.3306-0.0000 ( 2150 PWs) bands (ev): -31.9187 -31.9187 -13.2281 -13.2281 -12.8836 -12.8836 -12.8034 -12.8034 -8.1239 -8.1239 -8.1036 -8.1036 -5.6055 -5.6055 -5.5374 -5.5374 -5.5341 -5.5341 1.8456 1.8456 7.7194 7.7194 8.6087 8.6087 10.2604 10.2604 11.9183 11.9183 12.2011 12.2011 12.2271 12.2271 k = 0.3226 0.3226-0.0000 ( 2150 PWs) bands (ev): -31.9193 -31.9193 -13.2259 -13.2259 -12.8805 -12.8805 -12.8034 -12.8034 -8.1246 -8.1246 -8.1035 -8.1035 -5.6028 -5.6028 -5.5384 -5.5384 -5.5375 -5.5375 1.7740 1.7740 7.7680 7.7680 8.6586 8.6586 10.2046 10.2046 11.9034 11.9034 12.2360 12.2360 12.2553 12.2553 k = 0.3145 0.3145-0.0000 ( 2150 PWs) bands (ev): -31.9198 -31.9198 -13.2238 -13.2238 -12.8772 -12.8772 -12.8034 -12.8034 -8.1254 -8.1254 -8.1034 -8.1034 -5.6001 -5.6001 -5.5415 -5.5415 -5.5388 -5.5388 1.7016 1.7016 7.8198 7.8198 8.7114 8.7114 10.1522 10.1522 11.8702 11.8702 12.2756 12.2756 12.2905 12.2905 k = 0.3065 0.3065-0.0000 ( 2144 PWs) bands (ev): -31.9204 -31.9204 -13.2215 -13.2215 -12.8738 -12.8738 -12.8033 -12.8033 -8.1261 -8.1261 -8.1033 -8.1033 -5.5974 -5.5974 -5.5452 -5.5452 -5.5397 -5.5397 1.6286 1.6286 7.8746 7.8746 8.7669 8.7669 10.1032 10.1032 11.8240 11.8240 12.3098 12.3098 12.3383 12.3383 k = 0.2984 0.2984-0.0000 ( 2148 PWs) bands (ev): -31.9211 -31.9211 -13.2192 -13.2192 -12.8704 -12.8704 -12.8032 -12.8032 -8.1270 -8.1270 -8.1032 -8.1032 -5.5948 -5.5948 -5.5489 -5.5489 -5.5406 -5.5406 1.5554 1.5554 7.9324 7.9324 8.8248 8.8248 10.0577 10.0577 11.7687 11.7687 12.3424 12.3424 12.3923 12.3923 k = 0.2903 0.2903-0.0000 ( 2148 PWs) bands (ev): -31.9217 -31.9217 -13.2169 -13.2169 -12.8669 -12.8669 -12.8031 -12.8031 -8.1279 -8.1279 -8.1031 -8.1031 -5.5922 -5.5922 -5.5525 -5.5525 -5.5416 -5.5416 1.4820 1.4820 7.9928 7.9928 8.8852 8.8852 10.0159 10.0159 11.7068 11.7068 12.3755 12.3755 12.4489 12.4489 k = 0.2823 0.2823-0.0000 ( 2144 PWs) bands (ev): -31.9223 -31.9223 -13.2146 -13.2146 -12.8633 -12.8633 -12.8030 -12.8030 -8.1288 -8.1288 -8.1031 -8.1031 -5.5898 -5.5898 -5.5560 -5.5560 -5.5425 -5.5425 1.4087 1.4087 8.0558 8.0558 8.9478 8.9478 9.9779 9.9779 11.6402 11.6402 12.4094 12.4094 12.5069 12.5069 k = 0.2742 0.2742-0.0000 ( 2145 PWs) bands (ev): -31.9230 -31.9230 -13.2122 -13.2122 -12.8597 -12.8597 -12.8028 -12.8028 -8.1297 -8.1297 -8.1031 -8.1031 -5.5876 -5.5876 -5.5593 -5.5593 -5.5435 -5.5435 1.3357 1.3357 8.1210 8.1210 9.0125 9.0125 9.9439 9.9439 11.5701 11.5701 12.4440 12.4440 12.5657 12.5657 k = 0.2661 0.2661-0.0000 ( 2145 PWs) bands (ev): -31.9236 -31.9236 -13.2098 -13.2098 -12.8560 -12.8560 -12.8026 -12.8026 -8.1307 -8.1307 -8.1031 -8.1031 -5.5858 -5.5858 -5.5622 -5.5622 -5.5446 -5.5446 1.2633 1.2633 8.1880 8.1880 9.0792 9.0792 9.9142 9.9142 11.4976 11.4976 12.4793 12.4793 12.6250 12.6250 k = 0.2581 0.2581-0.0000 ( 2145 PWs) bands (ev): -31.9243 -31.9243 -13.2075 -13.2075 -12.8523 -12.8523 -12.8024 -12.8024 -8.1318 -8.1318 -8.1032 -8.1032 -5.5847 -5.5847 -5.5644 -5.5644 -5.5456 -5.5456 1.1915 1.1915 8.2566 8.2566 9.1478 9.1478 9.8889 9.8889 11.4237 11.4237 12.5153 12.5153 12.6844 12.6844 k = 0.2500 0.2500-0.0000 ( 2139 PWs) bands (ev): -31.9249 -31.9249 -13.2050 -13.2050 -12.8485 -12.8485 -12.8021 -12.8021 -8.1328 -8.1328 -8.1032 -8.1032 -5.5847 -5.5847 -5.5655 -5.5655 -5.5467 -5.5467 1.1205 1.1205 8.3261 8.3261 9.2181 9.2181 9.8685 9.8685 11.3489 11.3489 12.5519 12.5519 12.7440 12.7440 k = 0.2419 0.2419-0.0000 ( 2143 PWs) bands (ev): -31.9256 -31.9256 -13.2027 -13.2027 -12.8447 -12.8447 -12.8018 -12.8018 -8.1339 -8.1339 -8.1033 -8.1033 -5.5859 -5.5859 -5.5655 -5.5655 -5.5477 -5.5477 1.0505 1.0505 8.3960 8.3960 9.2900 9.2900 9.8533 9.8533 11.2739 11.2739 12.5891 12.5891 12.8033 12.8033 k = 0.2339 0.2339-0.0000 ( 2147 PWs) bands (ev): -31.9263 -31.9263 -13.2003 -13.2003 -12.8410 -12.8410 -12.8015 -12.8015 -8.1350 -8.1350 -8.1034 -8.1034 -5.5880 -5.5880 -5.5646 -5.5646 -5.5488 -5.5488 0.9817 0.9817 8.4657 8.4657 9.3634 9.3634 9.8439 9.8439 11.1992 11.1992 12.6266 12.6266 12.8623 12.8623 k = 0.2258 0.2258-0.0000 ( 2159 PWs) bands (ev): -31.9269 -31.9269 -13.1980 -13.1980 -12.8372 -12.8372 -12.8011 -12.8011 -8.1362 -8.1362 -8.1036 -8.1036 -5.5908 -5.5908 -5.5631 -5.5631 -5.5499 -5.5499 0.9141 0.9141 8.5343 8.5343 9.4381 9.4381 9.8408 9.8408 11.1252 11.1252 12.6646 12.6646 12.9204 12.9204 k = 0.2177 0.2177-0.0000 ( 2159 PWs) bands (ev): -31.9276 -31.9276 -13.1957 -13.1957 -12.8334 -12.8334 -12.8007 -12.8007 -8.1373 -8.1373 -8.1038 -8.1038 -5.5939 -5.5939 -5.5613 -5.5613 -5.5508 -5.5508 0.8479 0.8479 8.6010 8.6010 9.5139 9.5139 9.8448 9.8448 11.0525 11.0525 12.7028 12.7028 12.9768 12.9768 k = 0.2097 0.2097-0.0000 ( 2159 PWs) bands (ev): -31.9282 -31.9282 -13.1933 -13.1933 -12.8297 -12.8297 -12.8003 -12.8003 -8.1385 -8.1385 -8.1039 -8.1039 -5.5972 -5.5972 -5.5596 -5.5596 -5.5515 -5.5515 0.7833 0.7833 8.6649 8.6649 9.5905 9.5905 9.8566 9.8566 10.9813 10.9813 12.7412 12.7412 13.0253 13.0253 k = 0.2016 0.2016-0.0000 ( 2159 PWs) bands (ev): -31.9288 -31.9288 -13.1911 -13.1911 -12.8259 -12.8259 -12.7998 -12.7998 -8.1397 -8.1397 -8.1041 -8.1041 -5.6006 -5.6006 -5.5583 -5.5583 -5.5518 -5.5518 0.7203 0.7203 8.7249 8.7249 9.6673 9.6673 9.8772 9.8772 10.9121 10.9121 12.7797 12.7797 13.0304 13.0304 k = 0.1935 0.1935-0.0000 ( 2163 PWs) bands (ev): -31.9295 -31.9295 -13.1889 -13.1889 -12.8222 -12.8222 -12.7993 -12.7993 -8.1409 -8.1409 -8.1044 -8.1044 -5.6039 -5.6039 -5.5578 -5.5578 -5.5512 -5.5512 0.6591 0.6591 8.7804 8.7804 9.7431 9.7431 9.9081 9.9081 10.8453 10.8453 12.8182 12.8182 13.0089 13.0089 k = 0.1855 0.1855-0.0000 ( 2167 PWs) bands (ev): -31.9301 -31.9301 -13.1867 -13.1867 -12.8186 -12.8186 -12.7988 -12.7988 -8.1421 -8.1421 -8.1046 -8.1046 -5.6073 -5.6073 -5.5582 -5.5582 -5.5497 -5.5497 0.5997 0.5997 8.8306 8.8306 9.8161 9.8161 9.9510 9.9510 10.7816 10.7816 12.8565 12.8565 12.9856 12.9856 k = 0.1774 0.1774-0.0000 ( 2161 PWs) bands (ev): -31.9307 -31.9307 -13.1845 -13.1845 -12.8150 -12.8150 -12.7982 -12.7982 -8.1433 -8.1433 -8.1048 -8.1048 -5.6106 -5.6106 -5.5590 -5.5590 -5.5479 -5.5479 0.5422 0.5422 8.8752 8.8752 9.8842 9.8842 10.0074 10.0074 10.7218 10.7218 12.8944 12.8944 12.9635 12.9635 k = 0.1694 0.1694-0.0000 ( 2165 PWs) bands (ev): -31.9313 -31.9313 -13.1825 -13.1825 -12.8115 -12.8115 -12.7977 -12.7977 -8.1445 -8.1445 -8.1051 -8.1051 -5.6138 -5.6138 -5.5600 -5.5600 -5.5459 -5.5459 0.4868 0.4868 8.9141 8.9141 9.9471 9.9471 10.0755 10.0755 10.6673 10.6673 12.9300 12.9300 12.9448 12.9448 k = 0.1613 0.1613-0.0000 ( 2165 PWs) bands (ev): -31.9319 -31.9319 -13.1805 -13.1805 -12.8081 -12.8081 -12.7971 -12.7971 -8.1456 -8.1456 -8.1054 -8.1054 -5.6169 -5.6169 -5.5611 -5.5611 -5.5439 -5.5439 0.4335 0.4335 8.9475 8.9475 10.0070 10.0070 10.1501 10.1501 10.6211 10.6211 12.9223 12.9223 12.9707 12.9707 k = 0.1532 0.1532-0.0000 ( 2165 PWs) bands (ev): -31.9324 -31.9324 -13.1785 -13.1785 -12.8047 -12.8047 -12.7965 -12.7965 -8.1468 -8.1468 -8.1057 -8.1057 -5.6200 -5.6200 -5.5622 -5.5622 -5.5420 -5.5420 0.3823 0.3823 8.9759 8.9759 10.0655 10.0655 10.2220 10.2220 10.5895 10.5895 12.9053 12.9053 13.0070 13.0070 k = 0.1452 0.1452-0.0000 ( 2169 PWs) bands (ev): -31.9329 -31.9329 -13.1767 -13.1767 -12.8016 -12.8016 -12.7958 -12.7958 -8.1479 -8.1479 -8.1060 -8.1060 -5.6229 -5.6229 -5.5633 -5.5633 -5.5400 -5.5400 0.3334 0.3334 9.0000 9.0000 10.1224 10.1224 10.2776 10.2776 10.5856 10.5856 12.8899 12.8899 13.0429 13.0429 k = 0.1371 0.1371-0.0000 ( 2169 PWs) bands (ev): -31.9335 -31.9335 -13.1749 -13.1749 -12.7986 -12.7986 -12.7950 -12.7950 -8.1490 -8.1490 -8.1063 -8.1063 -5.6257 -5.6257 -5.5644 -5.5644 -5.5382 -5.5382 0.2868 0.2868 9.0203 9.0203 10.1744 10.1744 10.3043 10.3043 10.6239 10.6239 12.8765 12.8765 13.0779 13.0779 k = 0.1290 0.1290-0.0000 ( 2169 PWs) bands (ev): -31.9340 -31.9340 -13.1732 -13.1732 -12.7963 -12.7963 -12.7937 -12.7937 -8.1501 -8.1501 -8.1066 -8.1066 -5.6284 -5.6284 -5.5655 -5.5655 -5.5364 -5.5364 0.2426 0.2426 9.0376 9.0376 10.2100 10.2100 10.3166 10.3166 10.7004 10.7004 12.8651 12.8651 13.1120 13.1120 k = 0.1210 0.1210-0.0000 ( 2169 PWs) bands (ev): -31.9344 -31.9344 -13.1715 -13.1715 -12.7949 -12.7949 -12.7916 -12.7916 -8.1512 -8.1512 -8.1068 -8.1068 -5.6310 -5.6310 -5.5665 -5.5665 -5.5347 -5.5347 0.2008 0.2008 9.0523 9.0523 10.2114 10.2114 10.3468 10.3468 10.7995 10.7995 12.8560 12.8560 13.1449 13.1449 k = 0.1129 0.1129-0.0000 ( 2163 PWs) bands (ev): -31.9349 -31.9349 -13.1700 -13.1700 -12.7941 -12.7941 -12.7890 -12.7890 -8.1522 -8.1522 -8.1071 -8.1071 -5.6334 -5.6334 -5.5675 -5.5675 -5.5331 -5.5331 0.1615 0.1615 9.0650 9.0650 10.1887 10.1887 10.3939 10.3939 10.9108 10.9108 12.8491 12.8491 13.1766 13.1766 k = 0.1048 0.1048-0.0000 ( 2163 PWs) bands (ev): -31.9353 -31.9353 -13.1685 -13.1685 -12.7934 -12.7934 -12.7865 -12.7865 -8.1531 -8.1531 -8.1074 -8.1074 -5.6357 -5.6357 -5.5685 -5.5685 -5.5316 -5.5316 0.1247 0.1247 9.0760 9.0760 10.1582 10.1582 10.4455 10.4455 11.0295 11.0295 12.8448 12.8448 13.2069 13.2069 k = 0.0968 0.0968-0.0000 ( 2163 PWs) bands (ev): -31.9357 -31.9357 -13.1672 -13.1672 -12.7929 -12.7929 -12.7841 -12.7841 -8.1540 -8.1540 -8.1077 -8.1077 -5.6378 -5.6378 -5.5694 -5.5694 -5.5303 -5.5303 0.0905 0.0905 9.0856 9.0856 10.1259 10.1259 10.4969 10.4969 11.1529 11.1529 12.8434 12.8434 13.2355 13.2355 k = 0.0887 0.0887-0.0000 ( 2163 PWs) bands (ev): -31.9360 -31.9360 -13.1659 -13.1659 -12.7923 -12.7923 -12.7818 -12.7818 -8.1549 -8.1549 -8.1079 -8.1079 -5.6398 -5.6398 -5.5703 -5.5703 -5.5290 -5.5290 0.0588 0.0588 9.0941 9.0941 10.0943 10.0943 10.5464 10.5464 11.2792 11.2792 12.8452 12.8452 13.2625 13.2625 k = 0.0806 0.0806-0.0000 ( 2155 PWs) bands (ev): -31.9364 -31.9364 -13.1647 -13.1647 -12.7918 -12.7918 -12.7797 -12.7797 -8.1557 -8.1557 -8.1082 -8.1082 -5.6416 -5.6416 -5.5711 -5.5711 -5.5278 -5.5278 0.0299 0.0299 9.1015 9.1015 10.0643 10.0643 10.5932 10.5932 11.4068 11.4068 12.8507 12.8507 13.2876 13.2876 k = 0.0726 0.0726-0.0000 ( 2155 PWs) bands (ev): -31.9367 -31.9367 -13.1637 -13.1637 -12.7913 -12.7913 -12.7777 -12.7777 -8.1564 -8.1564 -8.1084 -8.1084 -5.6433 -5.6433 -5.5719 -5.5719 -5.5267 -5.5267 0.0035 0.0035 9.1082 9.1082 10.0364 10.0364 10.6366 10.6366 11.5342 11.5342 12.8608 12.8608 13.3107 13.3107 k = 0.0645 0.0645-0.0000 ( 2151 PWs) bands (ev): -31.9370 -31.9370 -13.1627 -13.1627 -12.7909 -12.7909 -12.7760 -12.7760 -8.1571 -8.1571 -8.1086 -8.1086 -5.6447 -5.6447 -5.5725 -5.5725 -5.5257 -5.5257 -0.0201 -0.0201 9.1141 9.1141 10.0110 10.0110 10.6764 10.6764 11.6594 11.6594 12.8766 12.8766 13.3318 13.3318 k = 0.0565 0.0565-0.0000 ( 2155 PWs) bands (ev): -31.9372 -31.9372 -13.1619 -13.1619 -12.7905 -12.7905 -12.7744 -12.7744 -8.1577 -8.1577 -8.1088 -8.1088 -5.6461 -5.6461 -5.5731 -5.5731 -5.5249 -5.5249 -0.0410 -0.0410 9.1192 9.1192 9.9884 9.9884 10.7121 10.7121 11.7801 11.7801 12.8995 12.8995 13.3506 13.3506 k = 0.0484 0.0484-0.0000 ( 2159 PWs) bands (ev): -31.9374 -31.9374 -13.1612 -13.1612 -12.7902 -12.7902 -12.7731 -12.7731 -8.1582 -8.1582 -8.1090 -8.1090 -5.6472 -5.6472 -5.5737 -5.5737 -5.5241 -5.5241 -0.0592 -0.0592 9.1236 9.1236 9.9685 9.9685 10.7435 10.7435 11.8934 11.8934 12.9315 12.9315 13.3670 13.3671 k = 0.0403 0.0403-0.0000 ( 2163 PWs) bands (ev): -31.9376 -31.9376 -13.1606 -13.1606 -12.7899 -12.7899 -12.7719 -12.7719 -8.1586 -8.1586 -8.1091 -8.1091 -5.6482 -5.6482 -5.5741 -5.5741 -5.5235 -5.5235 -0.0746 -0.0746 9.1274 9.1274 9.9516 9.9516 10.7705 10.7705 11.9959 11.9959 12.9752 12.9752 13.3809 13.3809 k = 0.0323 0.0323-0.0000 ( 2159 PWs) bands (ev): -31.9378 -31.9378 -13.1601 -13.1601 -12.7897 -12.7897 -12.7710 -12.7710 -8.1590 -8.1590 -8.1092 -8.1092 -5.6490 -5.6490 -5.5745 -5.5745 -5.5230 -5.5230 -0.0872 -0.0872 9.1305 9.1305 9.9377 9.9377 10.7928 10.7928 12.0839 12.0839 13.0330 13.0330 13.3920 13.3920 k = 0.0242 0.0242-0.0000 ( 2159 PWs) bands (ev): -31.9379 -31.9379 -13.1597 -13.1597 -12.7895 -12.7895 -12.7702 -12.7702 -8.1593 -8.1593 -8.1093 -8.1093 -5.6496 -5.6496 -5.5748 -5.5748 -5.5226 -5.5226 -0.0970 -0.0970 9.1329 9.1329 9.9268 9.9268 10.8102 10.8102 12.1542 12.1542 13.1064 13.1064 13.3999 13.3999 k = 0.0161 0.0161-0.0000 ( 2165 PWs) bands (ev): -31.9380 -31.9380 -13.1595 -13.1595 -12.7894 -12.7894 -12.7697 -12.7697 -8.1595 -8.1595 -8.1094 -8.1094 -5.6501 -5.6501 -5.5750 -5.5750 -5.5223 -5.5223 -0.1040 -0.1040 9.1346 9.1346 9.9190 9.9190 10.8228 10.8228 12.2048 12.2048 13.1953 13.1953 13.4041 13.4041 k = 0.0081 0.0081-0.0000 ( 2159 PWs) bands (ev): -31.9380 -31.9380 -13.1593 -13.1593 -12.7893 -12.7893 -12.7694 -12.7694 -8.1596 -8.1596 -8.1094 -8.1094 -5.6503 -5.6503 -5.5752 -5.5752 -5.5221 -5.5221 -0.1082 -0.1082 9.1357 9.1357 9.9143 9.9143 10.8304 10.8304 12.2351 12.2351 13.2962 13.2962 13.4047 13.4049 k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1592 -13.1592 -12.7892 -12.7892 -12.7693 -12.7693 -8.1597 -8.1597 -8.1095 -8.1095 -5.6504 -5.6504 -5.5752 -5.5752 -5.5221 -5.5221 -0.1096 -0.1096 9.1360 9.1360 9.9128 9.9128 10.8328 10.8328 12.2451 12.2451 13.3770 13.3770 13.4044 13.4045 k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1592 -13.1592 -12.7892 -12.7892 -12.7693 -12.7693 -8.1597 -8.1597 -8.1095 -8.1095 -5.6504 -5.6504 -5.5752 -5.5752 -5.5221 -5.5221 -0.1096 -0.1096 9.1360 9.1360 9.9128 9.9128 10.8328 10.8328 12.2451 12.2451 13.3770 13.3770 13.4044 13.4044 k = 0.0000 0.0000 0.0115 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1592 -13.1592 -12.7893 -12.7893 -12.7693 -12.7693 -8.1597 -8.1597 -8.1094 -8.1094 -5.6504 -5.6504 -5.5752 -5.5752 -5.5221 -5.5221 -0.1085 -0.1085 9.1027 9.1027 9.9439 9.9439 10.8331 10.8331 12.2401 12.2401 13.3111 13.3111 13.4107 13.4107 k = 0.0000 0.0000 0.0230 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1593 -13.1593 -12.7894 -12.7894 -12.7693 -12.7693 -8.1596 -8.1596 -8.1094 -8.1094 -5.6504 -5.6504 -5.5750 -5.5750 -5.5221 -5.5221 -0.1052 -0.1052 9.0154 9.0154 10.0246 10.0246 10.8337 10.8337 12.2256 12.2256 13.2278 13.2278 13.4283 13.4283 k = 0.0000 0.0000 0.0345 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1594 -13.1594 -12.7896 -12.7896 -12.7693 -12.7693 -8.1596 -8.1596 -8.1093 -8.1093 -5.6504 -5.6504 -5.5748 -5.5748 -5.5221 -5.5221 -0.0997 -0.0997 8.8957 8.8957 10.1332 10.1332 10.8347 10.8347 12.2028 12.2028 13.1456 13.1456 13.4545 13.4545 k = 0.0000 0.0000 0.0460 ( 2155 PWs) bands (ev): -31.9380 -31.9380 -13.1595 -13.1595 -12.7898 -12.7898 -12.7693 -12.7693 -8.1596 -8.1596 -8.1091 -8.1091 -5.6504 -5.6504 -5.5745 -5.5745 -5.5220 -5.5220 -0.0920 -0.0920 8.7585 8.7585 10.2547 10.2547 10.8361 10.8361 12.1733 12.1733 13.0653 13.0653 13.4873 13.4873 k = 0.0000 0.0000 0.0576 ( 2155 PWs) bands (ev): -31.9380 -31.9380 -13.1597 -13.1597 -12.7902 -12.7902 -12.7693 -12.7693 -8.1596 -8.1596 -8.1089 -8.1089 -5.6503 -5.6503 -5.5741 -5.5741 -5.5220 -5.5220 -0.0822 -0.0822 8.6119 8.6119 10.3806 10.3806 10.8379 10.8379 12.1390 12.1390 12.9870 12.9870 13.5263 13.5263 k = 0.0000 0.0000 0.0691 ( 2159 PWs) bands (ev): -31.9380 -31.9380 -13.1599 -13.1599 -12.7906 -12.7906 -12.7693 -12.7693 -8.1596 -8.1596 -8.1087 -8.1087 -5.6503 -5.6503 -5.5737 -5.5737 -5.5220 -5.5220 -0.0703 -0.0703 8.4601 8.4601 10.5065 10.5065 10.8401 10.8401 12.1017 12.1017 12.9109 12.9109 13.5719 13.5719 k = 0.0000 0.0000 0.0806 ( 2163 PWs) bands (ev): -31.9380 -31.9380 -13.1602 -13.1602 -12.7911 -12.7911 -12.7693 -12.7693 -8.1595 -8.1595 -8.1084 -8.1084 -5.6502 -5.6502 -5.5732 -5.5732 -5.5220 -5.5220 -0.0563 -0.0563 8.3058 8.3058 10.6295 10.6295 10.8426 10.8426 12.0630 12.0630 12.8371 12.8371 13.6238 13.6238 k = 0.0000 0.0000 0.0921 ( 2155 PWs) bands (ev): -31.9379 -31.9379 -13.1605 -13.1605 -12.7916 -12.7916 -12.7693 -12.7693 -8.1595 -8.1595 -8.1081 -8.1081 -5.6502 -5.6502 -5.5726 -5.5726 -5.5220 -5.5220 -0.0404 -0.0404 8.1505 8.1505 10.7477 10.7477 10.8455 10.8455 12.0244 12.0244 12.7655 12.7655 13.6820 13.6820 k = 0.0000 0.0000 0.1036 ( 2167 PWs) bands (ev): -31.9379 -31.9379 -13.1608 -13.1608 -12.7922 -12.7922 -12.7694 -12.7694 -8.1594 -8.1594 -8.1078 -8.1078 -5.6501 -5.6501 -5.5719 -5.5719 -5.5219 -5.5219 -0.0225 -0.0225 7.9952 7.9952 10.8487 10.8487 10.8593 10.8593 11.9876 11.9876 12.6962 12.6962 13.7459 13.7459 k = 0.0000 0.0000 0.1151 ( 2167 PWs) bands (ev): -31.9379 -31.9379 -13.1612 -13.1612 -12.7929 -12.7929 -12.7694 -12.7694 -8.1594 -8.1594 -8.1074 -8.1074 -5.6500 -5.6500 -5.5712 -5.5712 -5.5219 -5.5219 -0.0028 -0.0028 7.8408 7.8408 10.8523 10.8523 10.9628 10.9628 11.9541 11.9541 12.6293 12.6293 13.8151 13.8151 k = 0.0000 0.0000 0.1266 ( 2167 PWs) bands (ev): -31.9378 -31.9378 -13.1616 -13.1616 -12.7936 -12.7936 -12.7694 -12.7694 -8.1593 -8.1593 -8.1070 -8.1070 -5.6500 -5.6500 -5.5704 -5.5704 -5.5219 -5.5219 0.0186 0.0186 7.6880 7.6880 10.8561 10.8561 11.0565 11.0565 11.9260 11.9260 12.5648 12.5648 13.8891 13.8891 k = 0.0000 0.0000 0.1381 ( 2175 PWs) bands (ev): -31.9378 -31.9378 -13.1620 -13.1620 -12.7944 -12.7944 -12.7695 -12.7695 -8.1593 -8.1593 -8.1066 -8.1066 -5.6499 -5.6499 -5.5696 -5.5696 -5.5218 -5.5218 0.0417 0.0417 7.5372 7.5372 10.8601 10.8601 11.1383 11.1383 11.9054 11.9054 12.5026 12.5026 13.9671 13.9672 k = 0.0000 0.0000 0.1497 ( 2175 PWs) bands (ev): -31.9378 -31.9378 -13.1624 -13.1624 -12.7951 -12.7951 -12.7695 -12.7695 -8.1592 -8.1592 -8.1062 -8.1062 -5.6498 -5.6498 -5.5688 -5.5688 -5.5218 -5.5218 0.0662 0.0662 7.3890 7.3890 10.8644 10.8644 11.2060 11.2060 11.8953 11.8953 12.4429 12.4429 13.9584 13.9584 k = 0.0000 0.0000 0.1612 ( 2175 PWs) bands (ev): -31.9378 -31.9378 -13.1629 -13.1629 -12.7960 -12.7960 -12.7695 -12.7695 -8.1592 -8.1592 -8.1057 -8.1057 -5.6497 -5.6497 -5.5679 -5.5679 -5.5217 -5.5217 0.0921 0.0921 7.2437 7.2437 10.8688 10.8688 11.2572 11.2572 11.8983 11.8983 12.3857 12.3857 13.9576 13.9576 k = 0.0000 0.0000 0.1727 ( 2171 PWs) bands (ev): -31.9377 -31.9377 -13.1633 -13.1633 -12.7968 -12.7968 -12.7695 -12.7695 -8.1591 -8.1591 -8.1053 -8.1053 -5.6496 -5.6496 -5.5670 -5.5670 -5.5217 -5.5217 0.1193 0.1193 7.1018 7.1018 10.8735 10.8735 11.2907 11.2907 11.9158 11.9158 12.3309 12.3309 13.9568 13.9568 k = 0.0000 0.0000 0.1842 ( 2179 PWs) bands (ev): -31.9377 -31.9377 -13.1638 -13.1638 -12.7976 -12.7976 -12.7696 -12.7696 -8.1590 -8.1590 -8.1048 -8.1048 -5.6495 -5.6495 -5.5660 -5.5660 -5.5217 -5.5217 0.1475 0.1475 6.9635 6.9635 10.8782 10.8782 11.3076 11.3076 11.9476 11.9476 12.2787 12.2787 13.9559 13.9559 k = 0.0000 0.0000 0.1957 ( 2187 PWs) bands (ev): -31.9377 -31.9377 -13.1643 -13.1643 -12.7985 -12.7985 -12.7697 -12.7697 -8.1590 -8.1590 -8.1043 -8.1043 -5.6494 -5.6494 -5.5651 -5.5651 -5.5216 -5.5216 0.1766 0.1766 6.8293 6.8293 10.8830 10.8830 11.3106 11.3106 11.9909 11.9909 12.2289 12.2289 13.9551 13.9551 k = 0.0000 0.0000 0.2072 ( 2195 PWs) bands (ev): -31.9376 -31.9376 -13.1649 -13.1649 -12.7994 -12.7994 -12.7697 -12.7697 -8.1589 -8.1589 -8.1038 -8.1038 -5.6493 -5.6493 -5.5642 -5.5642 -5.5216 -5.5216 0.2063 0.2063 6.6995 6.6995 10.8878 10.8878 11.3034 11.3034 12.0425 12.0425 12.1817 12.1817 13.9542 13.9542 k = 0.0000 0.0000 0.2187 ( 2194 PWs) bands (ev): -31.9376 -31.9376 -13.1653 -13.1653 -12.8002 -12.8002 -12.7698 -12.7698 -8.1589 -8.1589 -8.1034 -8.1034 -5.6492 -5.6492 -5.5632 -5.5632 -5.5215 -5.5215 0.2366 0.2366 6.5744 6.5744 10.8927 10.8927 11.2896 11.2896 12.0994 12.0994 12.1371 12.1371 13.9534 13.9534 k = 0.0000 0.0000 0.2302 ( 2202 PWs) bands (ev): -31.9376 -31.9376 -13.1658 -13.1658 -12.8011 -12.8011 -12.7698 -12.7698 -8.1588 -8.1588 -8.1029 -8.1029 -5.6491 -5.6491 -5.5623 -5.5623 -5.5215 -5.5215 0.2671 0.2671 6.4544 6.4544 10.8975 10.8975 11.2716 11.2716 12.0951 12.0951 12.1589 12.1589 13.9526 13.9526 k = 0.0000 0.0000 0.2418 ( 2202 PWs) bands (ev): -31.9375 -31.9375 -13.1663 -13.1663 -12.8019 -12.8019 -12.7698 -12.7698 -8.1587 -8.1587 -8.1024 -8.1024 -5.6491 -5.6491 -5.5614 -5.5614 -5.5214 -5.5214 0.2976 0.2976 6.3398 6.3398 10.9022 10.9022 11.2514 11.2514 12.0557 12.0557 12.2196 12.2196 13.9518 13.9518 k = 0.0000 0.0000 0.2533 ( 2202 PWs) bands (ev): -31.9375 -31.9375 -13.1668 -13.1668 -12.8027 -12.8027 -12.7699 -12.7699 -8.1587 -8.1587 -8.1020 -8.1020 -5.6490 -5.6490 -5.5605 -5.5605 -5.5214 -5.5214 0.3278 0.3278 6.2309 6.2309 10.9069 10.9069 11.2302 11.2302 12.0190 12.0190 12.2800 12.2800 13.9510 13.9510 k = 0.0000 0.0000 0.2648 ( 2202 PWs) bands (ev): -31.9375 -31.9375 -13.1672 -13.1672 -12.8035 -12.8035 -12.7699 -12.7699 -8.1586 -8.1586 -8.1015 -8.1015 -5.6489 -5.6489 -5.5596 -5.5596 -5.5214 -5.5214 0.3575 0.3575 6.1282 6.1282 10.9113 10.9113 11.2089 11.2089 11.9849 11.9849 12.3394 12.3394 13.9503 13.9503 k = 0.0000 0.0000 0.2763 ( 2202 PWs) bands (ev): -31.9374 -31.9374 -13.1676 -13.1676 -12.8042 -12.8042 -12.7699 -12.7699 -8.1586 -8.1586 -8.1011 -8.1011 -5.6488 -5.6488 -5.5588 -5.5588 -5.5213 -5.5213 0.3864 0.3864 6.0319 6.0319 10.9156 10.9156 11.1881 11.1881 11.9535 11.9535 12.3970 12.3970 13.9496 13.9496 k = 0.0000 0.0000 0.2878 ( 2202 PWs) bands (ev): -31.9374 -31.9374 -13.1680 -13.1680 -12.8048 -12.8048 -12.7699 -12.7699 -8.1585 -8.1585 -8.1007 -8.1007 -5.6487 -5.6487 -5.5580 -5.5580 -5.5213 -5.5213 0.4141 0.4141 5.9423 5.9423 10.9197 10.9197 11.1683 11.1683 11.9248 11.9248 12.4522 12.4522 13.9489 13.9489 k = 0.0000 0.0000 0.2993 ( 2194 PWs) bands (ev): -31.9374 -31.9374 -13.1684 -13.1684 -12.8054 -12.8054 -12.7699 -12.7699 -8.1585 -8.1585 -8.1004 -8.1004 -5.6487 -5.6487 -5.5573 -5.5573 -5.5213 -5.5213 0.4405 0.4405 5.8600 5.8600 10.9235 10.9235 11.1498 11.1498 11.8988 11.8988 12.5044 12.5044 13.9483 13.9483 k = 0.0000 0.0000 0.3108 ( 2190 PWs) bands (ev): -31.9373 -31.9373 -13.1687 -13.1687 -12.8060 -12.8060 -12.7699 -12.7699 -8.1584 -8.1584 -8.1000 -8.1000 -5.6486 -5.6486 -5.5567 -5.5567 -5.5212 -5.5212 0.4651 0.4651 5.7852 5.7852 10.9270 10.9270 11.1328 11.1328 11.8755 11.8755 12.5530 12.5530 13.9479 13.9479 k = 0.0000 0.0000 0.3223 ( 2182 PWs) bands (ev): -31.9373 -31.9373 -13.1689 -13.1689 -12.8065 -12.8065 -12.7699 -12.7699 -8.1584 -8.1584 -8.0997 -8.0997 -5.6485 -5.6485 -5.5561 -5.5561 -5.5212 -5.5212 0.4877 0.4877 5.7182 5.7182 10.9302 10.9302 11.1175 11.1175 11.8549 11.8549 12.5977 12.5977 13.9474 13.9474 k = 0.0000 0.0000 0.3338 ( 2166 PWs) bands (ev): -31.9373 -31.9373 -13.1691 -13.1691 -12.8068 -12.8068 -12.7699 -12.7699 -8.1583 -8.1583 -8.0995 -8.0995 -5.6485 -5.6485 -5.5555 -5.5555 -5.5212 -5.5212 0.5079 0.5079 5.6594 5.6594 10.9330 10.9330 11.1040 11.1040 11.8371 11.8371 12.6378 12.6378 13.9469 13.9470 k = 0.0000 0.0000 0.3454 ( 2166 PWs) bands (ev): -31.9372 -31.9372 -13.1694 -13.1694 -12.8072 -12.8072 -12.7699 -12.7699 -8.1583 -8.1583 -8.0992 -8.0992 -5.6484 -5.6484 -5.5551 -5.5551 -5.5211 -5.5211 0.5256 0.5256 5.6091 5.6091 10.9355 10.9355 11.0925 11.0925 11.8219 11.8219 12.6727 12.6727 13.9466 13.9466 k = 0.0000 0.0000 0.3569 ( 2170 PWs) bands (ev): -31.9372 -31.9372 -13.1696 -13.1696 -12.8076 -12.8076 -12.7699 -12.7699 -8.1583 -8.1583 -8.0991 -8.0991 -5.6484 -5.6484 -5.5547 -5.5547 -5.5211 -5.5211 0.5405 0.5405 5.5675 5.5675 10.9375 10.9375 11.0829 11.0829 11.8095 11.8095 12.7020 12.7020 13.9462 13.9462 k = 0.0000 0.0000 0.3684 ( 2170 PWs) bands (ev): -31.9372 -31.9372 -13.1697 -13.1697 -12.8078 -12.8078 -12.7699 -12.7699 -8.1583 -8.1583 -8.0989 -8.0989 -5.6484 -5.6484 -5.5544 -5.5544 -5.5211 -5.5211 0.5523 0.5523 5.5349 5.5349 10.9390 10.9390 11.0754 11.0754 11.7999 11.7999 12.7253 12.7253 13.9460 13.9460 k = 0.0000 0.0000 0.3799 ( 2170 PWs) bands (ev): -31.9372 -31.9372 -13.1699 -13.1699 -12.8080 -12.8080 -12.7699 -12.7699 -8.1583 -8.1583 -8.0988 -8.0988 -5.6483 -5.6483 -5.5542 -5.5542 -5.5211 -5.5211 0.5608 0.5608 5.5114 5.5114 10.9402 10.9402 11.0701 11.0701 11.7930 11.7930 12.7423 12.7423 13.9458 13.9458 k = 0.0000 0.0000 0.3914 ( 2166 PWs) bands (ev): -31.9372 -31.9372 -13.1699 -13.1699 -12.8081 -12.8081 -12.7699 -12.7699 -8.1582 -8.1582 -8.0987 -8.0987 -5.6483 -5.6483 -5.5541 -5.5541 -5.5211 -5.5211 0.5660 0.5660 5.4973 5.4973 10.9409 10.9409 11.0668 11.0668 11.7888 11.7888 12.7526 12.7526 13.9457 13.9457 k = 0.0000 0.0000 0.4029 ( 2170 PWs) bands (ev): -31.9372 -31.9372 -13.1699 -13.1699 -12.8081 -12.8081 -12.7700 -12.7700 -8.1582 -8.1582 -8.0987 -8.0987 -5.6483 -5.6483 -5.5541 -5.5541 -5.5211 -5.5211 0.5677 0.5677 5.4926 5.4926 10.9411 10.9411 11.0658 11.0658 11.7874 11.7874 12.7561 12.7561 13.9457 13.9457 k = 0.0000 0.0000 0.4029 ( 2170 PWs) bands (ev): -31.9372 -31.9372 -13.1699 -13.1699 -12.8081 -12.8081 -12.7700 -12.7700 -8.1582 -8.1582 -8.0987 -8.0987 -5.6483 -5.6483 -5.5541 -5.5541 -5.5211 -5.5211 0.5677 0.5677 5.4926 5.4926 10.9411 10.9411 11.0658 11.0658 11.7874 11.7874 12.7561 12.7561 13.9457 13.9457 k = 0.0000 0.0114 0.4029 ( 2168 PWs) bands (ev): -31.9372 -31.9372 -13.1700 -13.1700 -12.8081 -12.8081 -12.7700 -12.7700 -8.1582 -8.1582 -8.0987 -8.0987 -5.6483 -5.6483 -5.5540 -5.5540 -5.5212 -5.5212 0.5688 0.5688 5.4944 5.4944 10.9418 10.9418 11.0627 11.0627 11.7846 11.7846 12.7568 12.7568 13.9436 13.9436 k = 0.0000 0.0227 0.4029 ( 2168 PWs) bands (ev): -31.9371 -31.9371 -13.1701 -13.1701 -12.8082 -12.8082 -12.7703 -12.7703 -8.1581 -8.1581 -8.0987 -8.0987 -5.6480 -5.6480 -5.5539 -5.5539 -5.5214 -5.5214 0.5718 0.5718 5.4997 5.4997 10.9438 10.9438 11.0533 11.0533 11.7764 11.7764 12.7589 12.7589 13.9375 13.9375 k = 0.0000 0.0341 0.4029 ( 2172 PWs) bands (ev): -31.9371 -31.9371 -13.1703 -13.1703 -12.8083 -12.8083 -12.7708 -12.7708 -8.1580 -8.1580 -8.0987 -8.0987 -5.6476 -5.6476 -5.5538 -5.5538 -5.5218 -5.5218 0.5770 0.5770 5.5087 5.5087 10.9472 10.9472 11.0367 11.0367 11.7639 11.7639 12.7623 12.7623 13.9273 13.9273 k = 0.0000 0.0455 0.4029 ( 2174 PWs) bands (ev): -31.9369 -31.9369 -13.1706 -13.1706 -12.8085 -12.8085 -12.7715 -12.7715 -8.1577 -8.1577 -8.0987 -8.0987 -5.6471 -5.6471 -5.5536 -5.5536 -5.5223 -5.5223 0.5841 0.5841 5.5212 5.5212 10.9516 10.9516 11.0119 11.0119 11.7488 11.7488 12.7672 12.7672 13.9133 13.9133 k = 0.0000 0.0568 0.4029 ( 2178 PWs) bands (ev): -31.9368 -31.9368 -13.1710 -13.1710 -12.8087 -12.8087 -12.7723 -12.7723 -8.1574 -8.1574 -8.0987 -8.0987 -5.6464 -5.6464 -5.5533 -5.5533 -5.5230 -5.5230 0.5933 0.5933 5.5372 5.5372 10.9558 10.9558 10.9785 10.9785 11.7331 11.7331 12.7735 12.7735 13.8956 13.8956 k = 0.0000 0.0682 0.4029 ( 2178 PWs) bands (ev): -31.9366 -31.9366 -13.1715 -13.1715 -12.8090 -12.8090 -12.7733 -12.7733 -8.1571 -8.1571 -8.0987 -8.0987 -5.6455 -5.6455 -5.5530 -5.5530 -5.5238 -5.5238 0.6046 0.6046 5.5567 5.5567 10.9281 10.9281 10.9666 10.9666 11.7189 11.7189 12.7813 12.7813 13.8744 13.8744 k = 0.0000 0.0795 0.4029 ( 2182 PWs) bands (ev): -31.9364 -31.9364 -13.1721 -13.1721 -12.8094 -12.8094 -12.7743 -12.7743 -8.1567 -8.1567 -8.0988 -8.0988 -5.6446 -5.6446 -5.5526 -5.5526 -5.5248 -5.5248 0.6178 0.6178 5.5797 5.5797 10.8699 10.8699 10.9735 10.9735 11.7083 11.7083 12.7904 12.7904 13.8499 13.8499 k = 0.0000 0.0909 0.4029 ( 2182 PWs) bands (ev): -31.9362 -31.9362 -13.1727 -13.1727 -12.8099 -12.8099 -12.7754 -12.7754 -8.1562 -8.1562 -8.0988 -8.0988 -5.6435 -5.6435 -5.5522 -5.5522 -5.5258 -5.5258 0.6331 0.6331 5.6061 5.6061 10.7980 10.7980 10.9818 10.9818 11.7027 11.7027 12.8010 12.8010 13.8225 13.8225 k = 0.0000 0.1023 0.4029 ( 2188 PWs) bands (ev): -31.9359 -31.9359 -13.1735 -13.1735 -12.8106 -12.8106 -12.7766 -12.7766 -8.1558 -8.1558 -8.0988 -8.0988 -5.6423 -5.6423 -5.5517 -5.5517 -5.5269 -5.5269 0.6503 0.6503 5.6359 5.6359 10.7130 10.7130 10.9905 10.9905 11.7029 11.7029 12.8130 12.8130 13.7923 13.7923 k = 0.0000 0.1136 0.4029 ( 2192 PWs) bands (ev): -31.9356 -31.9356 -13.1743 -13.1743 -12.8114 -12.8114 -12.7777 -12.7777 -8.1552 -8.1552 -8.0988 -8.0988 -5.6410 -5.6410 -5.5512 -5.5512 -5.5281 -5.5281 0.6695 0.6695 5.6691 5.6691 10.6159 10.6159 10.9996 10.9996 11.7091 11.7091 12.8263 12.8263 13.7597 13.7597 k = 0.0000 0.1250 0.4029 ( 2188 PWs) bands (ev): -31.9353 -31.9353 -13.1752 -13.1752 -12.8125 -12.8125 -12.7787 -12.7787 -8.1547 -8.1547 -8.0987 -8.0987 -5.6396 -5.6396 -5.5508 -5.5508 -5.5293 -5.5293 0.6906 0.6906 5.7055 5.7055 10.5080 10.5080 11.0086 11.0086 11.7210 11.7210 12.8410 12.8410 13.7250 13.7250 k = 0.0000 0.1364 0.4029 ( 2188 PWs) bands (ev): -31.9350 -31.9350 -13.1762 -13.1762 -12.8137 -12.8137 -12.7796 -12.7796 -8.1541 -8.1541 -8.0987 -8.0987 -5.6381 -5.6381 -5.5504 -5.5504 -5.5305 -5.5305 0.7136 0.7136 5.7451 5.7451 10.3905 10.3905 11.0172 11.0172 11.7384 11.7384 12.8571 12.8571 13.6885 13.6885 k = 0.0000 0.1477 0.4029 ( 2188 PWs) bands (ev): -31.9346 -31.9346 -13.1773 -13.1773 -12.8152 -12.8152 -12.7805 -12.7805 -8.1534 -8.1534 -8.0987 -8.0987 -5.6366 -5.6366 -5.5500 -5.5500 -5.5315 -5.5315 0.7385 0.7385 5.7879 5.7879 10.2650 10.2650 11.0249 11.0249 11.7608 11.7608 12.8744 12.8744 13.6505 13.6505 k = 0.0000 0.1591 0.4029 ( 2184 PWs) bands (ev): -31.9342 -31.9342 -13.1785 -13.1785 -12.8169 -12.8169 -12.7811 -12.7811 -8.1528 -8.1528 -8.0987 -8.0987 -5.6350 -5.6350 -5.5499 -5.5499 -5.5324 -5.5324 0.7652 0.7652 5.8337 5.8337 10.1330 10.1330 11.0315 11.0315 11.7877 11.7877 12.8928 12.8928 13.6112 13.6112 k = 0.0000 0.1705 0.4029 ( 2184 PWs) bands (ev): -31.9338 -31.9338 -13.1798 -13.1798 -12.8189 -12.8189 -12.7816 -12.7816 -8.1522 -8.1522 -8.0986 -8.0986 -5.6334 -5.6334 -5.5500 -5.5500 -5.5330 -5.5330 0.7937 0.7937 5.8825 5.8825 9.9955 9.9955 11.0365 11.0365 11.8188 11.8188 12.9125 12.9125 13.5710 13.5710 k = 0.0000 0.1818 0.4029 ( 2184 PWs) bands (ev): -31.9334 -31.9334 -13.1812 -13.1812 -12.8211 -12.8211 -12.7819 -12.7819 -8.1515 -8.1515 -8.0986 -8.0986 -5.6318 -5.6318 -5.5504 -5.5504 -5.5333 -5.5333 0.8240 0.8240 5.9341 5.9341 9.8540 9.8540 11.0395 11.0395 11.8536 11.8536 12.9331 12.9331 13.5300 13.5300 k = 0.0000 0.1932 0.4029 ( 2166 PWs) bands (ev): -31.9330 -31.9330 -13.1826 -13.1826 -12.8233 -12.8233 -12.7821 -12.7821 -8.1509 -8.1509 -8.0985 -8.0985 -5.6302 -5.6302 -5.5511 -5.5511 -5.5332 -5.5332 0.8559 0.8559 5.9885 5.9885 9.7094 9.7094 11.0401 11.0401 11.8919 11.8919 12.9549 12.9549 13.4888 13.4888 k = 0.0000 0.2045 0.4029 ( 2162 PWs) bands (ev): -31.9325 -31.9325 -13.1841 -13.1841 -12.8258 -12.8258 -12.7821 -12.7821 -8.1502 -8.1502 -8.0985 -8.0985 -5.6286 -5.6286 -5.5521 -5.5521 -5.5327 -5.5327 0.8893 0.8893 6.0454 6.0454 9.5628 9.5628 11.0377 11.0377 11.9334 11.9334 12.9773 12.9773 13.4472 13.4472 k = 0.0000 0.2159 0.4029 ( 2166 PWs) bands (ev): -31.9321 -31.9321 -13.1858 -13.1858 -12.8285 -12.8285 -12.7820 -12.7820 -8.1496 -8.1496 -8.0984 -8.0984 -5.6270 -5.6270 -5.5535 -5.5535 -5.5318 -5.5318 0.9243 0.9243 6.1049 6.1049 9.4151 9.4151 11.0319 11.0319 11.9778 11.9778 13.0003 13.0003 13.4055 13.4056 k = 0.0000 0.2273 0.4029 ( 2162 PWs) bands (ev): -31.9316 -31.9316 -13.1875 -13.1875 -12.8311 -12.8311 -12.7818 -12.7818 -8.1490 -8.1490 -8.0983 -8.0983 -5.6256 -5.6256 -5.5550 -5.5550 -5.5307 -5.5307 0.9607 0.9607 6.1666 6.1666 9.2671 9.2671 11.0223 11.0223 12.0249 12.0249 13.0239 13.0239 13.3642 13.3642 k = 0.0000 0.2386 0.4029 ( 2166 PWs) bands (ev): -31.9312 -31.9312 -13.1894 -13.1894 -12.8339 -12.8339 -12.7816 -12.7816 -8.1484 -8.1484 -8.0982 -8.0982 -5.6242 -5.6242 -5.5567 -5.5567 -5.5293 -5.5293 0.9985 0.9985 6.2304 6.2304 9.1196 9.1196 11.0084 11.0084 12.0746 12.0746 13.0478 13.0478 13.3232 13.3232 k = 0.0000 0.2500 0.4029 ( 2166 PWs) bands (ev): -31.9307 -31.9307 -13.1913 -13.1913 -12.8367 -12.8367 -12.7812 -12.7812 -8.1478 -8.1478 -8.0981 -8.0981 -5.6228 -5.6228 -5.5584 -5.5584 -5.5278 -5.5278 1.0374 1.0374 6.2961 6.2961 8.9733 8.9733 10.9898 10.9898 12.1266 12.1266 13.0718 13.0718 13.2830 13.2830 k = 0.0000 0.2614 0.4029 ( 2162 PWs) bands (ev): -31.9302 -31.9302 -13.1932 -13.1932 -12.8395 -12.8395 -12.7808 -12.7808 -8.1473 -8.1473 -8.0980 -8.0980 -5.6216 -5.6216 -5.5602 -5.5602 -5.5260 -5.5260 1.0773 1.0773 6.3633 6.3633 8.8291 8.8291 10.9663 10.9663 12.1808 12.1808 13.0958 13.0958 13.2435 13.2435 k = 0.0000 0.2727 0.4029 ( 2158 PWs) bands (ev): -31.9298 -31.9298 -13.1952 -13.1952 -12.8422 -12.8422 -12.7803 -12.7803 -8.1468 -8.1468 -8.0978 -8.0978 -5.6205 -5.6205 -5.5619 -5.5619 -5.5242 -5.5242 1.1182 1.1182 6.4319 6.4319 8.6875 8.6875 10.9375 10.9375 12.2369 12.2369 13.1193 13.1193 13.2050 13.2050 k = 0.0000 0.2841 0.4029 ( 2162 PWs) bands (ev): -31.9293 -31.9293 -13.1972 -13.1972 -12.8449 -12.8449 -12.7798 -12.7798 -8.1463 -8.1463 -8.0977 -8.0977 -5.6195 -5.6195 -5.5637 -5.5637 -5.5223 -5.5223 1.1599 1.1599 6.5013 6.5013 8.5495 8.5495 10.9034 10.9034 12.2948 12.2948 13.1418 13.1418 13.1681 13.1681 k = 0.0000 0.2955 0.4029 ( 2150 PWs) bands (ev): -31.9288 -31.9288 -13.1992 -13.1992 -12.8475 -12.8475 -12.7793 -12.7793 -8.1458 -8.1458 -8.0975 -8.0975 -5.6186 -5.6186 -5.5653 -5.5653 -5.5203 -5.5203 1.2021 1.2021 6.5711 6.5711 8.4158 8.4158 10.8640 10.8640 12.3543 12.3543 13.1305 13.1305 13.1656 13.1656 k = 0.0000 0.3068 0.4029 ( 2150 PWs) bands (ev): -31.9284 -31.9284 -13.2013 -13.2013 -12.8500 -12.8500 -12.7787 -12.7787 -8.1454 -8.1454 -8.0974 -8.0974 -5.6179 -5.6179 -5.5669 -5.5669 -5.5182 -5.5182 1.2446 1.2446 6.6406 6.6406 8.2874 8.2874 10.8192 10.8192 12.4152 12.4152 13.0959 13.0959 13.1866 13.1866 k = 0.0000 0.3182 0.4029 ( 2148 PWs) bands (ev): -31.9280 -31.9280 -13.2033 -13.2033 -12.8524 -12.8524 -12.7782 -12.7782 -8.1450 -8.1450 -8.0972 -8.0972 -5.6173 -5.6173 -5.5684 -5.5684 -5.5162 -5.5162 1.2873 1.2873 6.7089 6.7089 8.1654 8.1654 10.7694 10.7694 12.4771 12.4771 13.0625 13.0625 13.2068 13.2068 k = 0.0000 0.3295 0.4029 ( 2144 PWs) bands (ev): -31.9276 -31.9276 -13.2053 -13.2053 -12.8547 -12.8547 -12.7776 -12.7776 -8.1447 -8.1447 -8.0971 -8.0971 -5.6168 -5.6168 -5.5698 -5.5698 -5.5141 -5.5141 1.3299 1.3299 6.7748 6.7748 8.0511 8.0511 10.7148 10.7148 12.5400 12.5400 13.0307 13.0307 13.2257 13.2257 k = 0.0000 0.3409 0.4029 ( 2148 PWs) bands (ev): -31.9272 -31.9272 -13.2074 -13.2074 -12.8570 -12.8570 -12.7771 -12.7771 -8.1443 -8.1443 -8.0969 -8.0969 -5.6165 -5.6165 -5.5711 -5.5711 -5.5121 -5.5121 1.3720 1.3720 6.8367 6.8367 7.9465 7.9465 10.6560 10.6560 12.6034 12.6034 13.0004 13.0004 13.2434 13.2434 k = 0.0000 0.3523 0.4029 ( 2148 PWs) bands (ev): -31.9268 -31.9268 -13.2093 -13.2093 -12.8590 -12.8590 -12.7766 -12.7766 -8.1441 -8.1441 -8.0967 -8.0967 -5.6163 -5.6163 -5.5723 -5.5723 -5.5101 -5.5101 1.4135 1.4135 6.8921 6.8921 7.8540 7.8540 10.5935 10.5935 12.6672 12.6672 12.9719 12.9719 13.2596 13.2596 k = 0.0000 0.3636 0.4029 ( 2146 PWs) bands (ev): -31.9264 -31.9264 -13.2112 -13.2112 -12.8609 -12.8609 -12.7760 -12.7760 -8.1438 -8.1438 -8.0966 -8.0966 -5.6161 -5.6161 -5.5733 -5.5733 -5.5081 -5.5081 1.4541 1.4541 6.9378 6.9378 7.7769 7.7769 10.5282 10.5282 12.7308 12.7308 12.9453 12.9453 13.2745 13.2745 k = 0.0000 0.3750 0.4029 ( 2150 PWs) bands (ev): -31.9261 -31.9261 -13.2131 -13.2131 -12.8627 -12.8627 -12.7756 -12.7756 -8.1436 -8.1436 -8.0964 -8.0964 -5.6161 -5.6161 -5.5742 -5.5742 -5.5063 -5.5063 1.4932 1.4932 6.9698 6.9698 7.7191 7.7191 10.4608 10.4608 12.7939 12.7939 12.9205 12.9205 13.2879 13.2879 k = 0.0000 0.3864 0.4029 ( 2148 PWs) bands (ev): -31.9258 -31.9258 -13.2148 -13.2148 -12.8643 -12.8643 -12.7751 -12.7751 -8.1434 -8.1434 -8.0963 -8.0963 -5.6162 -5.6162 -5.5750 -5.5750 -5.5045 -5.5045 1.5307 1.5307 6.9845 6.9845 7.6842 7.6842 10.3923 10.3923 12.8559 12.8559 12.8979 12.8979 13.3000 13.3000 k = 0.0000 0.3977 0.4029 ( 2148 PWs) bands (ev): -31.9255 -31.9255 -13.2164 -13.2164 -12.8658 -12.8658 -12.7747 -12.7747 -8.1432 -8.1432 -8.0961 -8.0961 -5.6164 -5.6164 -5.5756 -5.5756 -5.5029 -5.5029 1.5662 1.5662 6.9808 6.9808 7.6730 7.6730 10.3239 10.3239 12.8762 12.8762 12.9175 12.9175 13.3109 13.3109 k = 0.0000 0.4091 0.4029 ( 2144 PWs) bands (ev): -31.9252 -31.9252 -13.2179 -13.2179 -12.8671 -12.8671 -12.7743 -12.7743 -8.1430 -8.1430 -8.0960 -8.0960 -5.6165 -5.6165 -5.5762 -5.5762 -5.5013 -5.5013 1.5993 1.5993 6.9612 6.9612 7.6825 7.6825 10.2566 10.2566 12.8578 12.8578 12.9758 12.9758 13.3204 13.3204 k = 0.0000 0.4205 0.4029 ( 2140 PWs) bands (ev): -31.9250 -31.9250 -13.2192 -13.2192 -12.8682 -12.8682 -12.7739 -12.7739 -8.1429 -8.1429 -8.0959 -8.0959 -5.6168 -5.6168 -5.5767 -5.5767 -5.5000 -5.5000 1.6296 1.6296 6.9314 6.9314 7.7068 7.7068 10.1918 10.1918 12.8412 12.8412 13.0313 13.0313 13.3288 13.3288 k = 0.0000 0.4318 0.4029 ( 2136 PWs) bands (ev): -31.9247 -31.9247 -13.2204 -13.2204 -12.8692 -12.8692 -12.7736 -12.7736 -8.1428 -8.1428 -8.0958 -8.0958 -5.6170 -5.6170 -5.5770 -5.5770 -5.4987 -5.4987 1.6567 1.6567 6.8968 6.8968 7.7394 7.7394 10.1310 10.1310 12.8268 12.8268 13.0831 13.0831 13.3360 13.3360 k = 0.0000 0.4432 0.4029 ( 2136 PWs) bands (ev): -31.9246 -31.9246 -13.2214 -13.2214 -12.8701 -12.8701 -12.7733 -12.7733 -8.1427 -8.1427 -8.0957 -8.0957 -5.6172 -5.6172 -5.5773 -5.5773 -5.4977 -5.4977 1.6804 1.6804 6.8622 6.8622 7.7751 7.7751 10.0756 10.0756 12.8145 12.8145 13.1299 13.1299 13.3421 13.3421 k = 0.0000 0.4545 0.4029 ( 2138 PWs) bands (ev): -31.9244 -31.9244 -13.2222 -13.2222 -12.8708 -12.8708 -12.7731 -12.7731 -8.1426 -8.1426 -8.0956 -8.0956 -5.6174 -5.6174 -5.5776 -5.5776 -5.4968 -5.4968 1.7002 1.7002 6.8306 6.8306 7.8096 7.8096 10.0272 10.0272 12.8043 12.8043 13.1705 13.1705 13.3469 13.3469 k = 0.0000 0.4659 0.4029 ( 2138 PWs) bands (ev): -31.9243 -31.9243 -13.2229 -13.2229 -12.8713 -12.8713 -12.7730 -12.7730 -8.1426 -8.1426 -8.0955 -8.0955 -5.6176 -5.6176 -5.5778 -5.5778 -5.4961 -5.4961 1.7160 1.7160 6.8043 6.8043 7.8398 7.8398 9.9875 9.9875 12.7964 12.7964 13.2039 13.2039 13.3495 13.3495 k = 0.0000 0.4773 0.4029 ( 2142 PWs) bands (ev): -31.9242 -31.9242 -13.2234 -13.2234 -12.8717 -12.8717 -12.7728 -12.7728 -8.1425 -8.1425 -8.0955 -8.0955 -5.6177 -5.6177 -5.5779 -5.5779 -5.4956 -5.4956 1.7274 1.7274 6.7847 6.7847 7.8631 7.8631 9.9579 9.9579 12.7906 12.7906 13.2289 13.2289 13.3457 13.3457 k = 0.0000 0.4886 0.4029 ( 2144 PWs) bands (ev): -31.9242 -31.9242 -13.2237 -13.2237 -12.8720 -12.8720 -12.7728 -12.7728 -8.1425 -8.1425 -8.0955 -8.0955 -5.6178 -5.6178 -5.5779 -5.5779 -5.4953 -5.4953 1.7343 1.7343 6.7726 6.7726 7.8779 7.8779 9.9396 9.9396 12.7872 12.7872 13.2442 13.2442 13.3422 13.3422 k = 0.0000 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9242 -31.9242 -13.2238 -13.2238 -12.8720 -12.8720 -12.7727 -12.7727 -8.1425 -8.1425 -8.0955 -8.0955 -5.6178 -5.6178 -5.5780 -5.5780 -5.4952 -5.4952 1.7366 1.7366 6.7685 6.7685 7.8829 7.8829 9.9334 9.9334 12.7861 12.7861 13.2495 13.2495 13.3410 13.3410 k = 0.0000 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9242 -31.9242 -13.2238 -13.2238 -12.8720 -12.8720 -12.7727 -12.7727 -8.1425 -8.1425 -8.0955 -8.0955 -5.6178 -5.6178 -5.5780 -5.5780 -5.4952 -5.4952 1.7366 1.7366 6.7685 6.7685 7.8829 7.8829 9.9334 9.9334 12.7861 12.7861 13.2495 13.2495 13.3410 13.3410 k = 0.0114 0.5000 0.4029 ( 2144 PWs) bands (ev): -31.9242 -31.9242 -13.2238 -13.2238 -12.8721 -12.8721 -12.7729 -12.7729 -8.1424 -8.1424 -8.0955 -8.0955 -5.6177 -5.6177 -5.5780 -5.5780 -5.4952 -5.4952 1.7379 1.7379 6.7691 6.7691 7.8832 7.8832 9.9358 9.9358 12.7858 12.7858 13.2485 13.2485 13.3269 13.3269 k = 0.0227 0.5000 0.4029 ( 2144 PWs) bands (ev): -31.9241 -31.9241 -13.2239 -13.2239 -12.8721 -12.8721 -12.7733 -12.7733 -8.1423 -8.1423 -8.0955 -8.0955 -5.6174 -5.6174 -5.5779 -5.5779 -5.4953 -5.4953 1.7417 1.7417 6.7709 6.7709 7.8841 7.8841 9.9429 9.9429 12.7849 12.7849 13.2453 13.2453 13.2853 13.2853 k = 0.0341 0.5000 0.4029 ( 2136 PWs) bands (ev): -31.9240 -31.9240 -13.2240 -13.2240 -12.8721 -12.8721 -12.7739 -12.7739 -8.1420 -8.1420 -8.0954 -8.0954 -5.6169 -5.6169 -5.5779 -5.5779 -5.4954 -5.4954 1.7480 1.7480 6.7740 6.7740 7.8856 7.8856 9.9548 9.9548 12.7835 12.7835 13.2172 13.2172 13.2415 13.2415 k = 0.0455 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9239 -31.9239 -13.2242 -13.2242 -12.8722 -12.8722 -12.7748 -12.7748 -8.1416 -8.1416 -8.0954 -8.0954 -5.6162 -5.6162 -5.5778 -5.5778 -5.4955 -5.4955 1.7568 1.7568 6.7783 6.7783 7.8876 7.8876 9.9714 9.9714 12.7814 12.7814 13.1283 13.1283 13.2344 13.2344 k = 0.0568 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9238 -31.9238 -13.2244 -13.2244 -12.8724 -12.8724 -12.7760 -12.7760 -8.1412 -8.1412 -8.0954 -8.0954 -5.6154 -5.6154 -5.5777 -5.5777 -5.4957 -5.4957 1.7681 1.7681 6.7837 6.7837 7.8902 7.8902 9.9927 9.9927 12.7787 12.7787 13.0201 13.0201 13.2260 13.2260 k = 0.0682 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9236 -31.9236 -13.2247 -13.2247 -12.8725 -12.8725 -12.7774 -12.7774 -8.1406 -8.1406 -8.0953 -8.0953 -5.6144 -5.6144 -5.5775 -5.5775 -5.4959 -5.4959 1.7820 1.7820 6.7903 6.7903 7.8934 7.8934 10.0187 10.0187 12.7751 12.7751 12.8965 12.8965 13.2159 13.2159 k = 0.0795 0.5000 0.4029 ( 2144 PWs) bands (ev): -31.9234 -31.9234 -13.2250 -13.2250 -12.8727 -12.8727 -12.7790 -12.7790 -8.1399 -8.1399 -8.0953 -8.0953 -5.6133 -5.6133 -5.5773 -5.5773 -5.4961 -5.4961 1.7983 1.7983 6.7980 6.7980 7.8971 7.8971 10.0493 10.0493 12.7498 12.7498 12.7810 12.7810 13.2043 13.2043 k = 0.0909 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9232 -31.9232 -13.2254 -13.2254 -12.8730 -12.8730 -12.7809 -12.7809 -8.1392 -8.1392 -8.0952 -8.0952 -5.6121 -5.6121 -5.5769 -5.5769 -5.4963 -5.4963 1.8172 1.8172 6.8067 6.8067 7.9012 7.9012 10.0845 10.0845 12.6077 12.6077 12.7712 12.7712 13.1914 13.1914 k = 0.1023 0.5000 0.4029 ( 2144 PWs) bands (ev): -31.9229 -31.9229 -13.2258 -13.2258 -12.8733 -12.8733 -12.7828 -12.7828 -8.1384 -8.1384 -8.0952 -8.0952 -5.6109 -5.6109 -5.5764 -5.5764 -5.4966 -5.4966 1.8385 1.8385 6.8165 6.8165 7.9059 7.9059 10.1243 10.1243 12.4506 12.4506 12.7673 12.7673 13.1773 13.1773 k = 0.1136 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9226 -31.9226 -13.2263 -13.2263 -12.8737 -12.8737 -12.7850 -12.7850 -8.1375 -8.1375 -8.0951 -8.0951 -5.6096 -5.6096 -5.5758 -5.5758 -5.4968 -5.4968 1.8622 1.8622 6.8272 6.8272 7.9109 7.9109 10.1686 10.1686 12.2857 12.2857 12.7636 12.7636 13.1621 13.1622 k = 0.1250 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9223 -31.9223 -13.2268 -13.2268 -12.8742 -12.8742 -12.7872 -12.7872 -8.1365 -8.1365 -8.0950 -8.0950 -5.6085 -5.6085 -5.5749 -5.5749 -5.4971 -5.4971 1.8884 1.8884 6.8387 6.8387 7.9164 7.9164 10.2174 10.2174 12.1148 12.1148 12.7603 12.7603 13.1461 13.1461 k = 0.1364 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9220 -31.9220 -13.2274 -13.2274 -12.8747 -12.8747 -12.7896 -12.7896 -8.1354 -8.1354 -8.0949 -8.0949 -5.6075 -5.6075 -5.5738 -5.5738 -5.4973 -5.4973 1.9170 1.9170 6.8511 6.8511 7.9222 7.9222 10.2706 10.2706 11.9393 11.9393 12.7573 12.7573 13.1295 13.1295 k = 0.1477 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9216 -31.9216 -13.2280 -13.2280 -12.8754 -12.8754 -12.7919 -12.7919 -8.1344 -8.1344 -8.0949 -8.0949 -5.6066 -5.6066 -5.5723 -5.5723 -5.4976 -5.4976 1.9480 1.9480 6.8641 6.8641 7.9283 7.9283 10.3281 10.3281 11.7601 11.7601 12.7547 12.7547 13.1124 13.1124 k = 0.1591 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9213 -31.9213 -13.2287 -13.2287 -12.8761 -12.8761 -12.7944 -12.7944 -8.1332 -8.1332 -8.0948 -8.0948 -5.6060 -5.6060 -5.5706 -5.5706 -5.4978 -5.4978 1.9813 1.9813 6.8778 6.8778 7.9346 7.9346 10.3898 10.3898 11.5783 11.5783 12.7526 12.7526 13.0952 13.0952 k = 0.1705 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9209 -31.9209 -13.2295 -13.2295 -12.8770 -12.8770 -12.7968 -12.7968 -8.1320 -8.1320 -8.0947 -8.0947 -5.6055 -5.6055 -5.5685 -5.5685 -5.4980 -5.4980 2.0170 2.0170 6.8919 6.8919 7.9413 7.9413 10.4558 10.4558 11.3947 11.3947 12.7512 12.7512 13.0780 13.0780 k = 0.1818 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9205 -31.9205 -13.2303 -13.2303 -12.8780 -12.8780 -12.7992 -12.7992 -8.1308 -8.1308 -8.0946 -8.0946 -5.6054 -5.6054 -5.5661 -5.5661 -5.4982 -5.4982 2.0549 2.0549 6.9065 6.9065 7.9481 7.9481 10.5257 10.5257 11.2102 11.2102 12.7506 12.7506 13.0609 13.0610 k = 0.1932 0.5000 0.4029 ( 2156 PWs) bands (ev): -31.9200 -31.9200 -13.2312 -13.2312 -12.8791 -12.8791 -12.8015 -12.8015 -8.1296 -8.1296 -8.0945 -8.0945 -5.6054 -5.6054 -5.5633 -5.5633 -5.4984 -5.4984 2.0950 2.0950 6.9214 6.9214 7.9550 7.9550 10.5997 10.5997 11.0254 11.0254 12.7509 12.7509 13.0443 13.0443 k = 0.2045 0.5000 0.4029 ( 2156 PWs) bands (ev): -31.9196 -31.9196 -13.2322 -13.2322 -12.8804 -12.8804 -12.8037 -12.8037 -8.1283 -8.1283 -8.0943 -8.0943 -5.6057 -5.6057 -5.5603 -5.5603 -5.4985 -5.4985 2.1373 2.1373 6.9364 6.9364 7.9620 7.9620 10.6775 10.6775 10.8410 10.8410 12.7521 12.7521 13.0283 13.0283 k = 0.2159 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9192 -31.9192 -13.2331 -13.2331 -12.8819 -12.8819 -12.8058 -12.8058 -8.1270 -8.1270 -8.0942 -8.0942 -5.6062 -5.6062 -5.5571 -5.5571 -5.4986 -5.4986 2.1817 2.1817 6.9514 6.9514 7.9691 7.9691 10.6575 10.6575 10.7591 10.7591 12.7545 12.7545 13.0132 13.0132 k = 0.2273 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9187 -31.9187 -13.2342 -13.2342 -12.8834 -12.8834 -12.8078 -12.8078 -8.1257 -8.1257 -8.0941 -8.0941 -5.6068 -5.6068 -5.5537 -5.5537 -5.4987 -5.4987 2.2280 2.2280 6.9663 6.9663 7.9762 7.9762 10.4756 10.4756 10.8443 10.8443 12.7579 12.7579 12.9991 12.9991 k = 0.2386 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9183 -31.9183 -13.2353 -13.2353 -12.8852 -12.8852 -12.8096 -12.8096 -8.1245 -8.1245 -8.0940 -8.0940 -5.6076 -5.6076 -5.5501 -5.5501 -5.4987 -5.4987 2.2763 2.2763 6.9810 6.9810 7.9833 7.9833 10.2959 10.2959 10.9329 10.9329 12.7626 12.7626 12.9861 12.9861 k = 0.2500 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9178 -31.9178 -13.2364 -13.2364 -12.8870 -12.8870 -12.8112 -12.8112 -8.1232 -8.1232 -8.0938 -8.0938 -5.6084 -5.6084 -5.5465 -5.5465 -5.4987 -5.4987 2.3263 2.3263 6.9952 6.9952 7.9903 7.9903 10.1188 10.1188 11.0249 11.0249 12.7685 12.7685 12.9745 12.9745 k = 0.2614 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9173 -31.9173 -13.2376 -13.2376 -12.8890 -12.8890 -12.8127 -12.8127 -8.1220 -8.1220 -8.0937 -8.0937 -5.6094 -5.6094 -5.5427 -5.5427 -5.4987 -5.4987 2.3780 2.3780 7.0087 7.0087 7.9972 7.9972 9.9448 9.9448 11.1200 11.1200 12.7756 12.7756 12.9644 12.9644 k = 0.2727 0.5000 0.4029 ( 2156 PWs) bands (ev): -31.9169 -31.9169 -13.2388 -13.2388 -12.8911 -12.8911 -12.8141 -12.8141 -8.1208 -8.1208 -8.0936 -8.0936 -5.6105 -5.6105 -5.5389 -5.5389 -5.4986 -5.4986 2.4312 2.4312 7.0214 7.0214 8.0039 8.0039 9.7746 9.7746 11.2180 11.2180 12.7840 12.7840 12.9558 12.9558 k = 0.2841 0.5000 0.4029 ( 2156 PWs) bands (ev): -31.9164 -31.9164 -13.2401 -13.2401 -12.8932 -12.8932 -12.8152 -12.8152 -8.1196 -8.1196 -8.0934 -8.0934 -5.6116 -5.6116 -5.5351 -5.5351 -5.4985 -5.4985 2.4857 2.4857 7.0331 7.0331 8.0104 8.0104 9.6086 9.6086 11.3188 11.3188 12.7935 12.7935 12.9490 12.9490 k = 0.2955 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9160 -31.9160 -13.2414 -13.2414 -12.8954 -12.8954 -12.8162 -12.8162 -8.1185 -8.1185 -8.0933 -8.0933 -5.6128 -5.6128 -5.5314 -5.5314 -5.4983 -5.4983 2.5414 2.5414 7.0435 7.0435 8.0167 8.0167 9.4474 9.4474 11.4221 11.4221 12.8042 12.8042 12.9440 12.9440 k = 0.3068 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9156 -31.9156 -13.2426 -13.2426 -12.8976 -12.8976 -12.8171 -12.8171 -8.1174 -8.1174 -8.0931 -8.0931 -5.6139 -5.6139 -5.5277 -5.5277 -5.4981 -5.4981 2.5980 2.5980 7.0524 7.0524 8.0226 8.0226 9.2917 9.2917 11.5277 11.5277 12.8160 12.8160 12.9409 12.9409 k = 0.3182 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9151 -31.9151 -13.2440 -13.2440 -12.8998 -12.8998 -12.8178 -12.8178 -8.1163 -8.1163 -8.0929 -8.0929 -5.6151 -5.6151 -5.5241 -5.5241 -5.4978 -5.4978 2.6552 2.6552 7.0596 7.0596 8.0282 8.0282 9.1420 9.1420 11.6352 11.6352 12.8287 12.8287 12.9396 12.9396 k = 0.3295 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9147 -31.9147 -13.2453 -13.2453 -12.9020 -12.9020 -12.8185 -12.8185 -8.1154 -8.1154 -8.0928 -8.0928 -5.6163 -5.6163 -5.5206 -5.5206 -5.4974 -5.4974 2.7128 2.7128 7.0647 7.0647 8.0334 8.0334 8.9992 8.9992 11.7443 11.7443 12.8422 12.8422 12.9403 12.9403 k = 0.3409 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9143 -31.9143 -13.2465 -13.2465 -12.9041 -12.9041 -12.8190 -12.8190 -8.1144 -8.1144 -8.0926 -8.0926 -5.6175 -5.6175 -5.5174 -5.5174 -5.4970 -5.4970 2.7704 2.7704 7.0674 7.0674 8.0380 8.0380 8.8638 8.8638 11.8546 11.8546 12.8564 12.8564 12.9429 12.9429 k = 0.3523 0.5000 0.4029 ( 2136 PWs) bands (ev): -31.9140 -31.9140 -13.2477 -13.2477 -12.9061 -12.9061 -12.8193 -12.8193 -8.1136 -8.1136 -8.0924 -8.0924 -5.6187 -5.6187 -5.5144 -5.5144 -5.4964 -5.4964 2.8277 2.8277 7.0676 7.0676 8.0420 8.0420 8.7368 8.7368 11.9658 11.9658 12.8710 12.8710 12.9474 12.9474 k = 0.3636 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9136 -31.9136 -13.2490 -13.2490 -12.9082 -12.9082 -12.8197 -12.8197 -8.1128 -8.1128 -8.0923 -8.0923 -5.6198 -5.6198 -5.5116 -5.5116 -5.4957 -5.4957 2.8843 2.8843 7.0649 7.0649 8.0451 8.0451 8.6189 8.6189 12.0771 12.0771 12.8857 12.8857 12.9536 12.9536 k = 0.3750 0.5000 0.4029 ( 2144 PWs) bands (ev): -31.9133 -31.9133 -13.2502 -13.2502 -12.9101 -12.9101 -12.8200 -12.8200 -8.1120 -8.1120 -8.0921 -8.0921 -5.6208 -5.6208 -5.5093 -5.5093 -5.4949 -5.4949 2.9396 2.9396 7.0591 7.0591 8.0471 8.0471 8.5113 8.5113 12.1881 12.1881 12.9005 12.9005 12.9614 12.9614 k = 0.3864 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9130 -31.9130 -13.2513 -13.2513 -12.9119 -12.9119 -12.8202 -12.8202 -8.1114 -8.1114 -8.0920 -8.0920 -5.6218 -5.6218 -5.5073 -5.5073 -5.4938 -5.4938 2.9932 2.9932 7.0502 7.0502 8.0475 8.0475 8.4150 8.4150 12.2981 12.2981 12.9150 12.9150 12.9705 12.9705 k = 0.3977 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9127 -31.9127 -13.2524 -13.2524 -12.9135 -12.9135 -12.8204 -12.8204 -8.1107 -8.1107 -8.0918 -8.0918 -5.6227 -5.6227 -5.5056 -5.5056 -5.4926 -5.4926 3.0446 3.0446 7.0382 7.0382 8.0455 8.0455 8.3312 8.3312 12.4060 12.4060 12.9290 12.9290 12.9807 12.9807 k = 0.4091 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9124 -31.9124 -13.2534 -13.2534 -12.9150 -12.9150 -12.8205 -12.8205 -8.1102 -8.1102 -8.0917 -8.0917 -5.6236 -5.6236 -5.5044 -5.5044 -5.4913 -5.4913 3.0930 3.0930 7.0235 7.0235 8.0398 8.0398 8.2616 8.2616 12.5109 12.5109 12.9425 12.9425 12.9915 12.9915 k = 0.4205 0.5000 0.4029 ( 2156 PWs) bands (ev): -31.9122 -31.9122 -13.2543 -13.2543 -12.9163 -12.9163 -12.8207 -12.8207 -8.1097 -8.1097 -8.0915 -8.0915 -5.6244 -5.6244 -5.5034 -5.5034 -5.4900 -5.4900 3.1379 3.1379 7.0066 7.0066 8.0287 8.0287 8.2080 8.2080 12.6114 12.6114 12.9553 12.9553 13.0026 13.0026 k = 0.4318 0.5000 0.4029 ( 2160 PWs) bands (ev): -31.9120 -31.9120 -13.2551 -13.2551 -12.9175 -12.9175 -12.8208 -12.8208 -8.1093 -8.1093 -8.0914 -8.0914 -5.6251 -5.6251 -5.5027 -5.5027 -5.4886 -5.4886 3.1786 3.1786 6.9884 6.9884 8.0110 8.0110 8.1713 8.1713 12.7060 12.7060 12.9671 12.9671 13.0134 13.0134 k = 0.4432 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9118 -31.9118 -13.2557 -13.2557 -12.9185 -12.9185 -12.8208 -12.8208 -8.1090 -8.1090 -8.0913 -8.0913 -5.6256 -5.6256 -5.5022 -5.5022 -5.4874 -5.4874 3.2145 3.2145 6.9700 6.9700 7.9887 7.9887 8.1493 8.1493 12.7926 12.7926 12.9777 12.9777 13.0237 13.0237 k = 0.4545 0.5000 0.4029 ( 2156 PWs) bands (ev): -31.9117 -31.9117 -13.2563 -13.2563 -12.9193 -12.9193 -12.8209 -12.8209 -8.1087 -8.1087 -8.0912 -8.0912 -5.6261 -5.6261 -5.5018 -5.5018 -5.4864 -5.4864 3.2449 3.2449 6.9526 6.9526 7.9659 7.9659 8.1371 8.1371 12.8688 12.8688 12.9871 12.9871 13.0331 13.0331 k = 0.4659 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9116 -31.9116 -13.2567 -13.2567 -12.9199 -12.9199 -12.8209 -12.8209 -8.1085 -8.1085 -8.0911 -8.0911 -5.6265 -5.6265 -5.5015 -5.5015 -5.4855 -5.4855 3.2692 3.2692 6.9375 6.9375 7.9462 7.9462 8.1305 8.1305 12.9314 12.9314 12.9951 12.9951 13.0417 13.0417 k = 0.4773 0.5000 0.4029 ( 2152 PWs) bands (ev): -31.9115 -31.9115 -13.2570 -13.2570 -12.9204 -12.9204 -12.8209 -12.8209 -8.1083 -8.1083 -8.0911 -8.0911 -5.6268 -5.6268 -5.5013 -5.5013 -5.4849 -5.4849 3.2869 3.2869 6.9257 6.9257 7.9315 7.9315 8.1270 8.1270 12.9760 12.9760 13.0022 13.0022 13.0500 13.0500 k = 0.4886 0.5000 0.4029 ( 2148 PWs) bands (ev): -31.9114 -31.9114 -13.2572 -13.2572 -12.9207 -12.9207 -12.8209 -12.8209 -8.1082 -8.1082 -8.0910 -8.0910 -5.6269 -5.6269 -5.5012 -5.5012 -5.4845 -5.4845 3.2978 3.2978 6.9183 6.9183 7.9225 7.9225 8.1253 8.1253 12.9963 12.9963 13.0118 13.0118 13.0577 13.0577 k = 0.5000 0.5000 0.4029 ( 2160 PWs) bands (ev): -31.9114 -31.9114 -13.2573 -13.2573 -12.9208 -12.9208 -12.8210 -12.8210 -8.1082 -8.1082 -8.0910 -8.0910 -5.6270 -5.6270 -5.5012 -5.5012 -5.4844 -5.4844 3.3014 3.3014 6.9157 6.9157 7.9194 7.9194 8.1247 8.1247 12.9998 12.9998 13.0174 13.0174 13.0614 13.0614 k = 0.5000 0.5000 0.4029 ( 2160 PWs) bands (ev): -31.9114 -31.9114 -13.2573 -13.2573 -12.9208 -12.9208 -12.8210 -12.8210 -8.1082 -8.1082 -8.0910 -8.0910 -5.6270 -5.6270 -5.5012 -5.5012 -5.4844 -5.4844 3.3014 3.3014 6.9157 6.9157 7.9194 7.9194 8.1247 8.1247 12.9998 12.9998 13.0174 13.0174 13.0614 13.0614 k = 0.4919 0.4919 0.4029 ( 2144 PWs) bands (ev): -31.9114 -31.9114 -13.2572 -13.2572 -12.9207 -12.9207 -12.8209 -12.8209 -8.1082 -8.1082 -8.0910 -8.0910 -5.6269 -5.6269 -5.5012 -5.5012 -5.4845 -5.4845 3.2977 3.2977 6.9183 6.9183 7.9225 7.9225 8.1253 8.1253 12.9967 12.9967 13.0115 13.0115 13.0574 13.0574 k = 0.4839 0.4839 0.4029 ( 2148 PWs) bands (ev): -31.9115 -31.9115 -13.2570 -13.2570 -12.9204 -12.9204 -12.8209 -12.8209 -8.1083 -8.1083 -8.0911 -8.0911 -5.6268 -5.6268 -5.5013 -5.5013 -5.4849 -5.4849 3.2868 3.2868 6.9259 6.9259 7.9316 7.9316 8.1268 8.1268 12.9835 12.9835 12.9968 12.9968 13.0472 13.0472 k = 0.4758 0.4758 0.4029 ( 2148 PWs) bands (ev): -31.9116 -31.9116 -13.2567 -13.2567 -12.9199 -12.9199 -12.8209 -12.8209 -8.1085 -8.1085 -8.0911 -8.0911 -5.6265 -5.6265 -5.5015 -5.5015 -5.4855 -5.4855 3.2688 3.2688 6.9385 6.9385 7.9467 7.9467 8.1294 8.1294 12.9517 12.9517 12.9801 12.9801 13.0343 13.0343 k = 0.4677 0.4677 0.4029 ( 2152 PWs) bands (ev): -31.9117 -31.9117 -13.2563 -13.2563 -12.9193 -12.9193 -12.8209 -12.8209 -8.1087 -8.1087 -8.0912 -8.0912 -5.6261 -5.6261 -5.5017 -5.5017 -5.4864 -5.4864 3.2439 3.2439 6.9556 6.9556 7.9675 7.9675 8.1332 8.1332 12.9051 12.9051 12.9579 12.9579 13.0213 13.0213 k = 0.4597 0.4597 0.4029 ( 2148 PWs) bands (ev): -31.9118 -31.9118 -13.2557 -13.2557 -12.9184 -12.9184 -12.8208 -12.8208 -8.1090 -8.1090 -8.0913 -8.0913 -5.6256 -5.6256 -5.5021 -5.5021 -5.4876 -5.4876 3.2126 3.2126 6.9769 6.9769 7.9937 7.9937 8.1385 8.1385 12.8478 12.8478 12.9284 12.9284 13.0092 13.0092 k = 0.4516 0.4516 0.4029 ( 2156 PWs) bands (ev): -31.9120 -31.9120 -13.2550 -13.2550 -12.9175 -12.9175 -12.8208 -12.8208 -8.1093 -8.1093 -8.0914 -8.0914 -5.6250 -5.6250 -5.5025 -5.5025 -5.4890 -5.4890 3.1753 3.1753 7.0018 7.0018 8.0244 8.0244 8.1460 8.1460 12.7824 12.7824 12.8926 12.8926 12.9975 12.9975 k = 0.4435 0.4435 0.4029 ( 2144 PWs) bands (ev): -31.9122 -31.9122 -13.2541 -13.2541 -12.9162 -12.9162 -12.8207 -12.8207 -8.1097 -8.1097 -8.0916 -8.0916 -5.6243 -5.6243 -5.5029 -5.5029 -5.4906 -5.4906 3.1325 3.1325 7.0299 7.0299 8.0576 8.0576 8.1576 8.1576 12.7114 12.7114 12.8517 12.8517 12.9862 12.9862 k = 0.4355 0.4355 0.4029 ( 2148 PWs) bands (ev): -31.9124 -31.9124 -13.2531 -13.2531 -12.9149 -12.9149 -12.8207 -12.8207 -8.1102 -8.1102 -8.0917 -8.0917 -5.6234 -5.6234 -5.5034 -5.5034 -5.4925 -5.4925 3.0846 3.0846 7.0604 7.0604 8.0891 8.0891 8.1771 8.1771 12.6368 12.6368 12.8067 12.8067 12.9750 12.9750 k = 0.4274 0.4274 0.4029 ( 2152 PWs) bands (ev): -31.9127 -31.9127 -13.2521 -13.2521 -12.9133 -12.9133 -12.8206 -12.8206 -8.1107 -8.1107 -8.0919 -8.0919 -5.6225 -5.6225 -5.5041 -5.5041 -5.4946 -5.4946 3.0323 3.0323 7.0928 7.0928 8.1132 8.1132 8.2102 8.2102 12.5605 12.5605 12.7585 12.7585 12.9641 12.9641 k = 0.4194 0.4194 0.4029 ( 2156 PWs) bands (ev): -31.9130 -31.9130 -13.2509 -13.2509 -12.9116 -12.9116 -12.8206 -12.8206 -8.1112 -8.1112 -8.0921 -8.0921 -5.6215 -5.6215 -5.5047 -5.5047 -5.4968 -5.4968 2.9759 2.9759 7.1264 7.1264 8.1292 8.1292 8.2571 8.2571 12.4840 12.4840 12.7078 12.7078 12.9538 12.9538 k = 0.4113 0.4113 0.4029 ( 2156 PWs) bands (ev): -31.9134 -31.9134 -13.2496 -13.2496 -12.9097 -12.9097 -12.8205 -12.8205 -8.1119 -8.1119 -8.0923 -8.0923 -5.6203 -5.6203 -5.5055 -5.5055 -5.4993 -5.4993 2.9162 2.9162 7.1605 7.1605 8.1408 8.1408 8.3141 8.3141 12.4088 12.4088 12.6551 12.6551 12.9441 12.9441 k = 0.4032 0.4032 0.4029 ( 2156 PWs) bands (ev): -31.9137 -31.9137 -13.2482 -13.2482 -12.9077 -12.9077 -12.8205 -12.8205 -8.1125 -8.1125 -8.0925 -8.0925 -5.6191 -5.6191 -5.5065 -5.5065 -5.5019 -5.5019 2.8535 2.8535 7.1944 7.1944 8.1506 8.1506 8.3782 8.3782 12.3362 12.3362 12.6011 12.6011 12.9355 12.9355 k = 0.3952 0.3952 0.4029 ( 2160 PWs) bands (ev): -31.9141 -31.9141 -13.2467 -13.2467 -12.9055 -12.9055 -12.8204 -12.8204 -8.1133 -8.1133 -8.0927 -8.0927 -5.6177 -5.6177 -5.5077 -5.5077 -5.5044 -5.5044 2.7883 2.7883 7.2273 7.2273 8.1602 8.1602 8.4479 8.4479 12.2673 12.2673 12.5460 12.5460 12.9281 12.9281 k = 0.3871 0.3871 0.4029 ( 2158 PWs) bands (ev): -31.9145 -31.9145 -13.2451 -13.2451 -12.9031 -12.9031 -12.8203 -12.8203 -8.1140 -8.1140 -8.0930 -8.0930 -5.6163 -5.6163 -5.5096 -5.5096 -5.5065 -5.5065 2.7210 2.7210 7.2584 7.2584 8.1706 8.1706 8.5222 8.5222 12.2032 12.2032 12.4903 12.4903 12.9221 12.9221 k = 0.3790 0.3790 0.4029 ( 2154 PWs) bands (ev): -31.9149 -31.9149 -13.2433 -13.2433 -12.9006 -12.9006 -12.8202 -12.8202 -8.1149 -8.1149 -8.0932 -8.0932 -5.6147 -5.6147 -5.5123 -5.5123 -5.5079 -5.5079 2.6521 2.6521 7.2866 7.2866 8.1824 8.1824 8.6004 8.6004 12.1446 12.1446 12.4342 12.4342 12.9178 12.9178 k = 0.3710 0.3710 0.4029 ( 2154 PWs) bands (ev): -31.9154 -31.9154 -13.2415 -13.2415 -12.8979 -12.8979 -12.8201 -12.8201 -8.1157 -8.1157 -8.0935 -8.0935 -5.6131 -5.6131 -5.5155 -5.5155 -5.5091 -5.5091 2.5819 2.5819 7.3110 7.3110 8.1966 8.1966 8.6821 8.6821 12.0924 12.0924 12.3780 12.3780 12.9154 12.9154 k = 0.3629 0.3629 0.4029 ( 2154 PWs) bands (ev): -31.9159 -31.9159 -13.2397 -13.2397 -12.8952 -12.8952 -12.8199 -12.8199 -8.1167 -8.1167 -8.0937 -8.0937 -5.6114 -5.6114 -5.5189 -5.5189 -5.5102 -5.5102 2.5108 2.5108 7.3304 7.3304 8.2139 8.2139 8.7666 8.7666 12.0471 12.0471 12.3219 12.3219 12.9149 12.9149 k = 0.3548 0.3548 0.4029 ( 2166 PWs) bands (ev): -31.9164 -31.9164 -13.2378 -13.2378 -12.8923 -12.8923 -12.8199 -12.8199 -8.1176 -8.1176 -8.0940 -8.0940 -5.6095 -5.6095 -5.5225 -5.5225 -5.5114 -5.5114 2.4391 2.4391 7.3437 7.3437 8.2353 8.2353 8.8537 8.8537 12.0093 12.0093 12.2660 12.2660 12.9165 12.9165 k = 0.3468 0.3468 0.4029 ( 2170 PWs) bands (ev): -31.9169 -31.9169 -13.2358 -13.2358 -12.8893 -12.8893 -12.8198 -12.8198 -8.1186 -8.1186 -8.0942 -8.0942 -5.6077 -5.6077 -5.5263 -5.5263 -5.5125 -5.5125 2.3670 2.3670 7.3502 7.3502 8.2615 8.2615 8.9428 8.9428 11.9795 11.9795 12.2106 12.2106 12.9204 12.9204 k = 0.3387 0.3387 0.4029 ( 2166 PWs) bands (ev): -31.9175 -31.9175 -13.2337 -13.2337 -12.8861 -12.8861 -12.8196 -12.8196 -8.1197 -8.1197 -8.0945 -8.0945 -5.6057 -5.6057 -5.5301 -5.5301 -5.5137 -5.5137 2.2948 2.2948 7.3491 7.3491 8.2931 8.2931 9.0336 9.0336 11.9578 11.9578 12.1558 12.1558 12.9268 12.9268 k = 0.3306 0.3306 0.4029 ( 2174 PWs) bands (ev): -31.9180 -31.9180 -13.2316 -13.2316 -12.8829 -12.8829 -12.8195 -12.8195 -8.1207 -8.1207 -8.0948 -8.0948 -5.6036 -5.6036 -5.5341 -5.5341 -5.5149 -5.5149 2.2227 2.2227 7.3400 7.3400 8.3306 8.3306 9.1257 9.1257 11.9444 11.9444 12.1017 12.1017 12.9356 12.9356 k = 0.3226 0.3226 0.4029 ( 2174 PWs) bands (ev): -31.9186 -31.9186 -13.2294 -13.2294 -12.8796 -12.8796 -12.8194 -12.8194 -8.1218 -8.1218 -8.0951 -8.0951 -5.6015 -5.6015 -5.5381 -5.5381 -5.5161 -5.5161 2.1510 2.1510 7.3229 7.3229 8.3740 8.3740 9.2188 9.2188 11.9394 11.9394 12.0485 12.0485 12.9470 12.9470 k = 0.3145 0.3145 0.4029 ( 2170 PWs) bands (ev): -31.9192 -31.9192 -13.2272 -13.2272 -12.8761 -12.8761 -12.8192 -12.8192 -8.1230 -8.1230 -8.0953 -8.0953 -5.5993 -5.5993 -5.5421 -5.5421 -5.5174 -5.5174 2.0799 2.0799 7.2980 7.2980 8.4232 8.4232 9.3126 9.3126 11.9423 11.9423 11.9965 11.9965 12.9611 12.9611 k = 0.3065 0.3065 0.4029 ( 2170 PWs) bands (ev): -31.9198 -31.9198 -13.2250 -13.2250 -12.8726 -12.8726 -12.8190 -12.8190 -8.1241 -8.1241 -8.0956 -8.0956 -5.5971 -5.5971 -5.5462 -5.5462 -5.5187 -5.5187 2.0094 2.0094 7.2659 7.2659 8.4779 8.4779 9.4068 9.4068 11.9398 11.9398 11.9590 11.9590 12.9780 12.9780 k = 0.2984 0.2984 0.4029 ( 2170 PWs) bands (ev): -31.9204 -31.9204 -13.2227 -13.2227 -12.8690 -12.8690 -12.8188 -12.8188 -8.1253 -8.1253 -8.0958 -8.0958 -5.5948 -5.5948 -5.5503 -5.5503 -5.5200 -5.5200 1.9398 1.9398 7.2271 7.2271 8.5377 8.5377 9.5012 9.5012 11.8924 11.8924 11.9753 11.9753 12.9977 12.9977 k = 0.2903 0.2903 0.4029 ( 2174 PWs) bands (ev): -31.9210 -31.9210 -13.2204 -13.2204 -12.8654 -12.8654 -12.8186 -12.8186 -8.1265 -8.1265 -8.0961 -8.0961 -5.5925 -5.5925 -5.5544 -5.5544 -5.5213 -5.5213 1.8712 1.8712 7.1824 7.1824 8.6021 8.6021 9.5954 9.5954 11.8432 11.8432 12.0022 12.0022 13.0203 13.0203 k = 0.2823 0.2823 0.4029 ( 2170 PWs) bands (ev): -31.9217 -31.9217 -13.2181 -13.2181 -12.8617 -12.8617 -12.8184 -12.8184 -8.1278 -8.1278 -8.0963 -8.0963 -5.5903 -5.5903 -5.5584 -5.5584 -5.5226 -5.5226 1.8037 1.8037 7.1325 7.1325 8.6707 8.6707 9.6894 9.6894 11.7948 11.7948 12.0365 12.0365 13.0459 13.0459 k = 0.2742 0.2742 0.4029 ( 2170 PWs) bands (ev): -31.9223 -31.9223 -13.2158 -13.2158 -12.8579 -12.8579 -12.8182 -12.8182 -8.1290 -8.1290 -8.0965 -8.0965 -5.5880 -5.5880 -5.5623 -5.5623 -5.5240 -5.5240 1.7375 1.7375 7.0782 7.0782 8.7432 8.7432 9.7828 9.7828 11.7476 11.7476 12.0778 12.0778 13.0745 13.0745 k = 0.2661 0.2661 0.4029 ( 2172 PWs) bands (ev): -31.9230 -31.9230 -13.2135 -13.2135 -12.8541 -12.8541 -12.8179 -12.8179 -8.1303 -8.1303 -8.0968 -8.0968 -5.5860 -5.5860 -5.5659 -5.5659 -5.5253 -5.5253 1.6726 1.6726 7.0201 7.0201 8.8190 8.8190 9.8755 9.8755 11.7015 11.7015 12.1254 12.1254 13.1062 13.1062 k = 0.2581 0.2581 0.4029 ( 2176 PWs) bands (ev): -31.9236 -31.9236 -13.2112 -13.2112 -12.8503 -12.8503 -12.8177 -12.8177 -8.1315 -8.1315 -8.0970 -8.0970 -5.5844 -5.5844 -5.5691 -5.5691 -5.5267 -5.5267 1.6091 1.6091 6.9588 6.9588 8.8978 8.8978 9.9673 9.9673 11.6566 11.6566 12.1789 12.1789 13.1410 13.1410 k = 0.2500 0.2500 0.4029 ( 2172 PWs) bands (ev): -31.9243 -31.9243 -13.2090 -13.2090 -12.8465 -12.8465 -12.8174 -12.8174 -8.1328 -8.1328 -8.0972 -8.0972 -5.5837 -5.5837 -5.5713 -5.5713 -5.5280 -5.5280 1.5471 1.5471 6.8951 6.8951 8.9793 8.9793 10.0581 10.0581 11.6130 11.6130 12.2378 12.2379 13.1791 13.1791 k = 0.2419 0.2419 0.4029 ( 2172 PWs) bands (ev): -31.9249 -31.9249 -13.2067 -13.2067 -12.8427 -12.8427 -12.8171 -12.8171 -8.1340 -8.1340 -8.0974 -8.0974 -5.5847 -5.5847 -5.5717 -5.5717 -5.5294 -5.5294 1.4867 1.4867 6.8295 6.8295 9.0632 9.0632 10.1476 10.1476 11.5706 11.5706 12.3016 12.3016 13.2204 13.2204 k = 0.2339 0.2339 0.4029 ( 2172 PWs) bands (ev): -31.9256 -31.9256 -13.2045 -13.2045 -12.8389 -12.8389 -12.8168 -12.8168 -8.1353 -8.1353 -8.0975 -8.0975 -5.5871 -5.5871 -5.5706 -5.5706 -5.5307 -5.5307 1.4279 1.4279 6.7624 6.7624 9.1492 9.1492 10.2358 10.2358 11.5295 11.5295 12.3696 12.3696 13.2287 13.2287 k = 0.2258 0.2258 0.4029 ( 2172 PWs) bands (ev): -31.9262 -31.9262 -13.2023 -13.2023 -12.8351 -12.8351 -12.8165 -12.8165 -8.1366 -8.1366 -8.0977 -8.0977 -5.5903 -5.5903 -5.5687 -5.5687 -5.5321 -5.5321 1.3708 1.3708 6.6944 6.6944 9.2370 9.2370 10.3225 10.3225 11.4898 11.4898 12.4413 12.4413 13.2053 13.2053 k = 0.2177 0.2177 0.4029 ( 2172 PWs) bands (ev): -31.9269 -31.9269 -13.2002 -13.2002 -12.8313 -12.8313 -12.8162 -12.8162 -8.1378 -8.1378 -8.0979 -8.0979 -5.5937 -5.5937 -5.5665 -5.5665 -5.5334 -5.5334 1.3155 1.3155 6.6259 6.6259 9.3263 9.3263 10.4075 10.4075 11.4514 11.4514 12.5161 12.5161 13.1817 13.1817 k = 0.2097 0.2097 0.4029 ( 2172 PWs) bands (ev): -31.9275 -31.9275 -13.1981 -13.1981 -12.8275 -12.8275 -12.8158 -12.8158 -8.1391 -8.1391 -8.0980 -8.0980 -5.5972 -5.5972 -5.5641 -5.5641 -5.5347 -5.5347 1.2620 1.2620 6.5574 6.5574 9.4168 9.4168 10.4909 10.4909 11.4144 11.4144 12.5935 12.5935 13.1579 13.1579 k = 0.2016 0.2016 0.4029 ( 2178 PWs) bands (ev): -31.9281 -31.9281 -13.1961 -13.1961 -12.8238 -12.8238 -12.8155 -12.8155 -8.1403 -8.1403 -8.0981 -8.0981 -5.6007 -5.6007 -5.5616 -5.5616 -5.5360 -5.5360 1.2103 1.2103 6.4891 6.4891 9.5083 9.5083 10.5724 10.5724 11.3787 11.3787 12.6728 12.6728 13.1340 13.1340 k = 0.1935 0.1935 0.4029 ( 2174 PWs) bands (ev): -31.9288 -31.9288 -13.1941 -13.1941 -12.8202 -12.8202 -12.8151 -12.8151 -8.1415 -8.1415 -8.0982 -8.0982 -5.6042 -5.6042 -5.5591 -5.5591 -5.5373 -5.5373 1.1605 1.1605 6.4214 6.4214 9.6005 9.6005 10.6520 10.6520 11.3444 11.3444 12.7533 12.7533 13.1105 13.1105 k = 0.1855 0.1855 0.4029 ( 2170 PWs) bands (ev): -31.9294 -31.9294 -13.1921 -13.1921 -12.8166 -12.8166 -12.8147 -12.8147 -8.1427 -8.1427 -8.0983 -8.0983 -5.6075 -5.6075 -5.5566 -5.5566 -5.5385 -5.5385 1.1126 1.1126 6.3546 6.3546 9.6931 9.6931 10.7296 10.7296 11.3115 11.3115 12.8342 12.8342 13.0875 13.0875 k = 0.1774 0.1774 0.4029 ( 2178 PWs) bands (ev): -31.9300 -31.9300 -13.1903 -13.1903 -12.8145 -12.8145 -12.8130 -12.8130 -8.1439 -8.1439 -8.0984 -8.0984 -5.6108 -5.6108 -5.5541 -5.5541 -5.5397 -5.5397 1.0666 1.0666 6.2891 6.2891 9.7857 9.7857 10.8050 10.8050 11.2799 11.2799 12.9140 12.9140 13.0659 13.0659 k = 0.1694 0.1694 0.4029 ( 2182 PWs) bands (ev): -31.9305 -31.9305 -13.1886 -13.1886 -12.8140 -12.8140 -12.8096 -12.8096 -8.1450 -8.1450 -8.0985 -8.0985 -5.6140 -5.6140 -5.5516 -5.5516 -5.5408 -5.5408 1.0225 1.0225 6.2249 6.2249 9.8781 9.8781 10.8784 10.8784 11.2497 11.2497 12.9856 12.9857 13.0525 13.0525 k = 0.1613 0.1613 0.4029 ( 2182 PWs) bands (ev): -31.9311 -31.9311 -13.1869 -13.1869 -12.8136 -12.8136 -12.8063 -12.8063 -8.1461 -8.1461 -8.0986 -8.0986 -5.6171 -5.6171 -5.5492 -5.5492 -5.5419 -5.5419 0.9804 0.9804 6.1625 6.1625 9.9698 9.9698 10.9495 10.9495 11.2210 11.2210 13.0038 13.0039 13.0920 13.0920 k = 0.1532 0.1532 0.4029 ( 2182 PWs) bands (ev): -31.9317 -31.9317 -13.1852 -13.1852 -12.8132 -12.8132 -12.8031 -12.8031 -8.1472 -8.1472 -8.0986 -8.0986 -5.6200 -5.6200 -5.5470 -5.5470 -5.5428 -5.5428 0.9404 0.9404 6.1020 6.1020 10.0606 10.0606 11.0183 11.0183 11.1937 11.1937 12.9870 12.9870 13.1656 13.1656 k = 0.1452 0.1452 0.4029 ( 2186 PWs) bands (ev): -31.9322 -31.9322 -13.1837 -13.1837 -12.8128 -12.8128 -12.8000 -12.8000 -8.1482 -8.1482 -8.0987 -8.0987 -5.6228 -5.6228 -5.5454 -5.5454 -5.5431 -5.5431 0.9023 0.9023 6.0435 6.0435 10.1499 10.1499 11.0848 11.0848 11.1679 11.1679 12.9667 12.9667 13.2411 13.2412 k = 0.1371 0.1371 0.4029 ( 2178 PWs) bands (ev): -31.9327 -31.9327 -13.1822 -13.1822 -12.8124 -12.8124 -12.7969 -12.7969 -8.1492 -8.1492 -8.0987 -8.0987 -5.6255 -5.6255 -5.5456 -5.5456 -5.5417 -5.5417 0.8663 0.8663 5.9874 5.9874 10.2375 10.2375 11.1405 11.1405 11.1520 11.1520 12.9463 12.9463 13.3150 13.3150 k = 0.1290 0.1290 0.4029 ( 2178 PWs) bands (ev): -31.9332 -31.9332 -13.1808 -13.1808 -12.8120 -12.8120 -12.7940 -12.7940 -8.1502 -8.1502 -8.0987 -8.0987 -5.6281 -5.6281 -5.5464 -5.5464 -5.5397 -5.5397 0.8322 0.8322 5.9336 5.9336 10.3228 10.3228 11.1197 11.1197 11.2116 11.2116 12.9263 12.9263 13.3862 13.3862 k = 0.1210 0.1210 0.4029 ( 2178 PWs) bands (ev): -31.9336 -31.9336 -13.1795 -13.1795 -12.8116 -12.8116 -12.7912 -12.7912 -8.1511 -8.1511 -8.0987 -8.0987 -5.6305 -5.6305 -5.5472 -5.5472 -5.5376 -5.5376 0.8002 0.8002 5.8825 5.8825 10.4054 10.4054 11.0981 11.0981 11.2711 11.2711 12.9070 12.9070 13.4540 13.4540 k = 0.1129 0.1129 0.4029 ( 2180 PWs) bands (ev): -31.9341 -31.9341 -13.1782 -13.1782 -12.8112 -12.8112 -12.7886 -12.7886 -8.1520 -8.1520 -8.0988 -8.0988 -5.6328 -5.6328 -5.5481 -5.5481 -5.5356 -5.5356 0.7703 0.7703 5.8340 5.8340 10.4848 10.4848 11.0778 11.0778 11.3284 11.3284 12.8885 12.8885 13.5181 13.5181 k = 0.1048 0.1048 0.4029 ( 2184 PWs) bands (ev): -31.9345 -31.9345 -13.1771 -13.1771 -12.8109 -12.8109 -12.7862 -12.7862 -8.1528 -8.1528 -8.0988 -8.0988 -5.6349 -5.6349 -5.5489 -5.5489 -5.5338 -5.5338 0.7424 0.7424 5.7884 5.7884 10.5606 10.5606 11.0590 11.0590 11.3832 11.3832 12.8710 12.8710 13.5779 13.5779 k = 0.0968 0.0968 0.4029 ( 2180 PWs) bands (ev): -31.9349 -31.9349 -13.1760 -13.1760 -12.8105 -12.8105 -12.7839 -12.7839 -8.1536 -8.1536 -8.0988 -8.0988 -5.6369 -5.6369 -5.5496 -5.5496 -5.5320 -5.5320 0.7166 0.7166 5.7458 5.7458 10.6323 10.6323 11.0415 11.0415 11.4356 11.4356 12.8546 12.8546 13.6336 13.6336 k = 0.0887 0.0887 0.4029 ( 2180 PWs) bands (ev): -31.9352 -31.9352 -13.1751 -13.1751 -12.8102 -12.8102 -12.7817 -12.7817 -8.1543 -8.1543 -8.0988 -8.0988 -5.6387 -5.6387 -5.5503 -5.5503 -5.5303 -5.5303 0.6928 0.6928 5.7062 5.7062 10.6995 10.6995 11.0254 11.0254 11.4854 11.4854 12.8392 12.8392 13.6846 13.6846 k = 0.0806 0.0806 0.4029 ( 2184 PWs) bands (ev): -31.9356 -31.9356 -13.1742 -13.1742 -12.8099 -12.8099 -12.7797 -12.7797 -8.1550 -8.1550 -8.0988 -8.0988 -5.6403 -5.6403 -5.5510 -5.5510 -5.5288 -5.5288 0.6711 0.6711 5.6698 5.6698 10.7617 10.7617 11.0108 11.0108 11.5325 11.5325 12.8251 12.8251 13.7310 13.7310 k = 0.0726 0.0726 0.4029 ( 2182 PWs) bands (ev): -31.9359 -31.9359 -13.1734 -13.1734 -12.8096 -12.8096 -12.7779 -12.7779 -8.1556 -8.1556 -8.0988 -8.0988 -5.6418 -5.6418 -5.5515 -5.5515 -5.5274 -5.5274 0.6515 0.6515 5.6366 5.6366 10.8187 10.8187 10.9976 10.9976 11.5766 11.5766 12.8122 12.8122 13.7727 13.7727 k = 0.0645 0.0645 0.4029 ( 2178 PWs) bands (ev): -31.9362 -31.9362 -13.1727 -13.1727 -12.8093 -12.8093 -12.7763 -12.7763 -8.1561 -8.1561 -8.0988 -8.0988 -5.6432 -5.6432 -5.5521 -5.5521 -5.5261 -5.5261 0.6339 0.6339 5.6067 5.6067 10.8702 10.8702 10.9857 10.9857 11.6176 11.6176 12.8005 12.8005 13.8097 13.8097 k = 0.0565 0.0565 0.4029 ( 2178 PWs) bands (ev): -31.9364 -31.9364 -13.1720 -13.1720 -12.8090 -12.8090 -12.7748 -12.7748 -8.1566 -8.1566 -8.0988 -8.0988 -5.6444 -5.6444 -5.5525 -5.5525 -5.5249 -5.5249 0.6184 0.6184 5.5802 5.5802 10.9158 10.9158 10.9752 10.9752 11.6550 11.6550 12.7902 12.7902 13.8422 13.8422 k = 0.0484 0.0484 0.4029 ( 2174 PWs) bands (ev): -31.9366 -31.9366 -13.1715 -13.1715 -12.8088 -12.8088 -12.7735 -12.7735 -8.1571 -8.1571 -8.0988 -8.0988 -5.6454 -5.6454 -5.5529 -5.5529 -5.5239 -5.5239 0.6050 0.6050 5.5571 5.5571 10.9556 10.9556 10.9662 10.9662 11.6885 11.6885 12.7811 12.7811 13.8700 13.8700 k = 0.0403 0.0403 0.4029 ( 2174 PWs) bands (ev): -31.9368 -31.9368 -13.1710 -13.1710 -12.8086 -12.8086 -12.7724 -12.7724 -8.1574 -8.1574 -8.0987 -8.0987 -5.6463 -5.6463 -5.5533 -5.5533 -5.5231 -5.5231 0.5936 0.5936 5.5375 5.5375 10.9585 10.9585 10.9892 10.9892 11.7177 11.7177 12.7735 12.7735 13.8933 13.8933 k = 0.0323 0.0323 0.4029 ( 2170 PWs) bands (ev): -31.9369 -31.9369 -13.1706 -13.1706 -12.8084 -12.8084 -12.7715 -12.7715 -8.1577 -8.1577 -8.0987 -8.0987 -5.6470 -5.6470 -5.5535 -5.5535 -5.5224 -5.5224 0.5843 0.5843 5.5214 5.5214 10.9522 10.9522 11.0168 11.0168 11.7422 11.7422 12.7673 12.7673 13.9123 13.9123 k = 0.0242 0.0242 0.4029 ( 2170 PWs) bands (ev): -31.9371 -31.9371 -13.1703 -13.1703 -12.8083 -12.8083 -12.7709 -12.7709 -8.1579 -8.1579 -8.0987 -8.0987 -5.6476 -5.6476 -5.5538 -5.5538 -5.5218 -5.5218 0.5770 0.5770 5.5088 5.5088 10.9474 10.9474 11.0382 11.0382 11.7618 11.7618 12.7624 12.7624 13.9269 13.9269 k = 0.0161 0.0161 0.4029 ( 2166 PWs) bands (ev): -31.9371 -31.9371 -13.1701 -13.1701 -12.8082 -12.8082 -12.7703 -12.7703 -8.1581 -8.1581 -8.0987 -8.0987 -5.6480 -5.6480 -5.5539 -5.5539 -5.5214 -5.5214 0.5719 0.5719 5.4998 5.4998 10.9439 10.9439 11.0535 11.0535 11.7760 11.7760 12.7589 12.7589 13.9374 13.9374 k = 0.0081 0.0081 0.4029 ( 2166 PWs) bands (ev): -31.9372 -31.9372 -13.1700 -13.1700 -12.8081 -12.8081 -12.7700 -12.7700 -8.1582 -8.1582 -8.0987 -8.0987 -5.6482 -5.6482 -5.5540 -5.5540 -5.5212 -5.5212 0.5688 0.5688 5.4944 5.4944 10.9418 10.9418 11.0627 11.0627 11.7846 11.7846 12.7568 12.7568 13.9436 13.9436 k = 0.0000 0.0000 0.4029 ( 2170 PWs) bands (ev): -31.9372 -31.9372 -13.1699 -13.1699 -12.8081 -12.8081 -12.7700 -12.7700 -8.1582 -8.1582 -8.0987 -8.0987 -5.6483 -5.6483 -5.5541 -5.5541 -5.5211 -5.5211 0.5677 0.5677 5.4926 5.4926 10.9411 10.9411 11.0658 11.0658 11.7874 11.7874 12.7561 12.7561 13.9457 13.9457 k = 0.0000 0.5000-0.0000 ( 2154 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7684 -12.7684 -8.1402 -8.1402 -8.0914 -8.0914 -5.6170 -5.6170 -5.5615 -5.5615 -5.5048 -5.5048 1.5609 1.5609 5.7604 5.7604 9.1871 9.1871 11.1197 11.1197 11.8299 11.8299 13.5159 13.5159 13.5708 13.5708 k = 0.0000 0.5000 0.0115 ( 2150 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7684 -12.7684 -8.1402 -8.1402 -8.0914 -8.0914 -5.6170 -5.6170 -5.5615 -5.5615 -5.5048 -5.5048 1.5612 1.5612 5.7620 5.7620 9.1836 9.1836 11.1190 11.1190 11.8312 11.8312 13.5153 13.5153 13.5700 13.5700 k = 0.0000 0.5000 0.0230 ( 2154 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7684 -12.7684 -8.1402 -8.1402 -8.0914 -8.0914 -5.6170 -5.6170 -5.5616 -5.5616 -5.5048 -5.5048 1.5622 1.5622 5.7667 5.7667 9.1730 9.1730 11.1168 11.1168 11.8350 11.8350 13.5136 13.5136 13.5676 13.5676 k = 0.0000 0.5000 0.0345 ( 2154 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7685 -12.7685 -8.1402 -8.1402 -8.0915 -8.0915 -5.6170 -5.6170 -5.5618 -5.5618 -5.5047 -5.5047 1.5637 1.5637 5.7746 5.7746 9.1556 9.1556 11.1131 11.1131 11.8413 11.8413 13.5107 13.5107 13.5636 13.5636 k = 0.0000 0.5000 0.0460 ( 2154 PWs) bands (ev): -31.9248 -31.9248 -13.2248 -13.2248 -12.8702 -12.8702 -12.7685 -12.7685 -8.1403 -8.1403 -8.0915 -8.0915 -5.6170 -5.6170 -5.5620 -5.5620 -5.5046 -5.5046 1.5659 1.5659 5.7856 5.7856 9.1316 9.1316 11.1078 11.1078 11.8501 11.8501 13.5066 13.5066 13.5583 13.5583 k = 0.0000 0.5000 0.0576 ( 2152 PWs) bands (ev): -31.9248 -31.9248 -13.2247 -13.2247 -12.8702 -12.8702 -12.7686 -12.7686 -8.1403 -8.1403 -8.0916 -8.0916 -5.6170 -5.6170 -5.5623 -5.5623 -5.5044 -5.5044 1.5688 1.5688 5.7997 5.7997 9.1014 9.1014 11.1008 11.1008 11.8615 11.8615 13.5015 13.5015 13.5517 13.5517 k = 0.0000 0.5000 0.0691 ( 2148 PWs) bands (ev): -31.9248 -31.9248 -13.2247 -13.2247 -12.8703 -12.8703 -12.7687 -12.7687 -8.1403 -8.1403 -8.0917 -8.0917 -5.6170 -5.6170 -5.5627 -5.5627 -5.5042 -5.5042 1.5722 1.5722 5.8169 5.8169 9.0655 9.0655 11.0919 11.0919 11.8754 11.8754 13.4953 13.4953 13.5440 13.5440 k = 0.0000 0.5000 0.0806 ( 2148 PWs) bands (ev): -31.9248 -31.9248 -13.2247 -13.2247 -12.8703 -12.8703 -12.7688 -12.7688 -8.1404 -8.1404 -8.0918 -8.0918 -5.6170 -5.6170 -5.5631 -5.5631 -5.5040 -5.5040 1.5761 1.5761 5.8370 5.8370 9.0244 9.0244 11.0807 11.0807 11.8917 11.8917 13.4882 13.4882 13.5356 13.5356 k = 0.0000 0.5000 0.0921 ( 2156 PWs) bands (ev): -31.9247 -31.9247 -13.2247 -13.2247 -12.8704 -12.8704 -12.7690 -12.7690 -8.1404 -8.1404 -8.0919 -8.0919 -5.6170 -5.6170 -5.5636 -5.5636 -5.5037 -5.5037 1.5806 1.5806 5.8600 5.8600 8.9785 8.9785 11.0670 11.0670 11.9106 11.9106 13.4802 13.4802 13.5264 13.5264 k = 0.0000 0.5000 0.1036 ( 2156 PWs) bands (ev): -31.9247 -31.9247 -13.2246 -13.2246 -12.8704 -12.8704 -12.7692 -12.7692 -8.1405 -8.1405 -8.0921 -8.0921 -5.6170 -5.6170 -5.5641 -5.5641 -5.5035 -5.5035 1.5857 1.5857 5.8858 5.8858 8.9286 8.9286 11.0506 11.0506 11.9318 11.9318 13.4714 13.4714 13.5167 13.5167 k = 0.0000 0.5000 0.1151 ( 2148 PWs) bands (ev): -31.9247 -31.9247 -13.2245 -13.2245 -12.8704 -12.8704 -12.7693 -12.7693 -8.1406 -8.1406 -8.0922 -8.0922 -5.6171 -5.6171 -5.5646 -5.5646 -5.5031 -5.5031 1.5912 1.5912 5.9144 5.9144 8.8753 8.8753 11.0311 11.0311 11.9555 11.9555 13.4619 13.4619 13.5066 13.5066 k = 0.0000 0.5000 0.1266 ( 2144 PWs) bands (ev): -31.9247 -31.9247 -13.2245 -13.2245 -12.8705 -12.8705 -12.7694 -12.7694 -8.1407 -8.1407 -8.0924 -8.0924 -5.6171 -5.6171 -5.5652 -5.5652 -5.5028 -5.5028 1.5972 1.5972 5.9455 5.9455 8.8192 8.8192 11.0084 11.0084 11.9815 11.9815 13.4517 13.4517 13.4963 13.4963 k = 0.0000 0.5000 0.1381 ( 2144 PWs) bands (ev): -31.9246 -31.9246 -13.2245 -13.2245 -12.8706 -12.8706 -12.7696 -12.7696 -8.1407 -8.1407 -8.0925 -8.0925 -5.6171 -5.6171 -5.5659 -5.5659 -5.5025 -5.5025 1.6036 1.6036 5.9791 5.9791 8.7609 8.7609 10.9819 10.9819 12.0098 12.0098 13.4410 13.4410 13.4859 13.4859 k = 0.0000 0.5000 0.1497 ( 2142 PWs) bands (ev): -31.9246 -31.9246 -13.2244 -13.2244 -12.8706 -12.8706 -12.7698 -12.7698 -8.1408 -8.1408 -8.0927 -8.0927 -5.6171 -5.6171 -5.5666 -5.5666 -5.5021 -5.5021 1.6103 1.6103 6.0150 6.0150 8.7010 8.7010 10.9515 10.9515 12.0402 12.0402 13.4299 13.4299 13.4755 13.4755 k = 0.0000 0.5000 0.1612 ( 2150 PWs) bands (ev): -31.9246 -31.9246 -13.2244 -13.2244 -12.8707 -12.8707 -12.7700 -12.7700 -8.1409 -8.1409 -8.0929 -8.0929 -5.6171 -5.6171 -5.5673 -5.5673 -5.5017 -5.5017 1.6174 1.6174 6.0530 6.0530 8.6402 8.6402 10.9170 10.9170 12.0728 12.0728 13.4184 13.4184 13.4651 13.4651 k = 0.0000 0.5000 0.1727 ( 2158 PWs) bands (ev): -31.9246 -31.9246 -13.2244 -13.2244 -12.8709 -12.8709 -12.7702 -12.7702 -8.1410 -8.1410 -8.0930 -8.0930 -5.6172 -5.6172 -5.5680 -5.5680 -5.5013 -5.5013 1.6248 1.6248 6.0930 6.0930 8.5790 8.5790 10.8782 10.8782 12.1073 12.1073 13.4065 13.4065 13.4547 13.4547 k = 0.0000 0.5000 0.1842 ( 2158 PWs) bands (ev): -31.9245 -31.9245 -13.2244 -13.2244 -12.8709 -12.8709 -12.7704 -12.7704 -8.1411 -8.1411 -8.0932 -8.0932 -5.6172 -5.6172 -5.5687 -5.5687 -5.5009 -5.5009 1.6323 1.6323 6.1347 6.1347 8.5179 8.5179 10.8352 10.8352 12.1437 12.1437 13.3946 13.3946 13.4446 13.4446 k = 0.0000 0.5000 0.1957 ( 2156 PWs) bands (ev): -31.9245 -31.9245 -13.2243 -13.2243 -12.8710 -12.8710 -12.7706 -12.7706 -8.1412 -8.1412 -8.0934 -8.0934 -5.6172 -5.6172 -5.5695 -5.5695 -5.5004 -5.5004 1.6401 1.6401 6.1778 6.1778 8.4576 8.4576 10.7881 10.7881 12.1819 12.1819 13.3826 13.3826 13.4348 13.4348 k = 0.0000 0.5000 0.2072 ( 2160 PWs) bands (ev): -31.9245 -31.9245 -13.2243 -13.2243 -12.8711 -12.8711 -12.7708 -12.7708 -8.1413 -8.1413 -8.0936 -8.0936 -5.6172 -5.6172 -5.5702 -5.5702 -5.5000 -5.5000 1.6479 1.6479 6.2222 6.2222 8.3985 8.3985 10.7369 10.7369 12.2215 12.2215 13.3706 13.3706 13.4252 13.4252 k = 0.0000 0.5000 0.2187 ( 2158 PWs) bands (ev): -31.9245 -31.9245 -13.2242 -13.2242 -12.8712 -12.8712 -12.7710 -12.7710 -8.1414 -8.1414 -8.0938 -8.0938 -5.6173 -5.6173 -5.5709 -5.5709 -5.4996 -5.4996 1.6558 1.6558 6.2675 6.2675 8.3410 8.3410 10.6822 10.6822 12.2626 12.2626 13.3587 13.3587 13.4160 13.4160 k = 0.0000 0.5000 0.2302 ( 2152 PWs) bands (ev): -31.9244 -31.9244 -13.2242 -13.2242 -12.8712 -12.8712 -12.7712 -12.7712 -8.1415 -8.1415 -8.0939 -8.0939 -5.6173 -5.6173 -5.5717 -5.5717 -5.4991 -5.4991 1.6637 1.6637 6.3134 6.3134 8.2857 8.2857 10.6242 10.6242 12.3047 12.3047 13.3471 13.3471 13.4072 13.4072 k = 0.0000 0.5000 0.2418 ( 2152 PWs) bands (ev): -31.9244 -31.9244 -13.2241 -13.2241 -12.8713 -12.8713 -12.7714 -12.7714 -8.1416 -8.1416 -8.0941 -8.0941 -5.6174 -5.6174 -5.5724 -5.5724 -5.4987 -5.4987 1.6715 1.6715 6.3594 6.3594 8.2329 8.2329 10.5637 10.5637 12.3477 12.3477 13.3358 13.3358 13.3988 13.3988 k = 0.0000 0.5000 0.2533 ( 2152 PWs) bands (ev): -31.9244 -31.9244 -13.2241 -13.2241 -12.8714 -12.8714 -12.7716 -12.7716 -8.1417 -8.1417 -8.0943 -8.0943 -5.6174 -5.6174 -5.5731 -5.5731 -5.4983 -5.4983 1.6792 1.6792 6.4052 6.4052 8.1831 8.1831 10.5014 10.5014 12.3913 12.3913 13.3249 13.3249 13.3909 13.3909 k = 0.0000 0.5000 0.2648 ( 2148 PWs) bands (ev): -31.9243 -31.9243 -13.2240 -13.2240 -12.8715 -12.8715 -12.7717 -12.7717 -8.1418 -8.1418 -8.0944 -8.0944 -5.6175 -5.6175 -5.5737 -5.5737 -5.4979 -5.4979 1.6866 1.6866 6.4504 6.4504 8.1366 8.1366 10.4379 10.4379 12.4351 12.4351 13.3145 13.3145 13.3835 13.3835 k = 0.0000 0.5000 0.2763 ( 2148 PWs) bands (ev): -31.9243 -31.9243 -13.2240 -13.2240 -12.8716 -12.8716 -12.7719 -12.7719 -8.1419 -8.1419 -8.0946 -8.0946 -5.6175 -5.6175 -5.5744 -5.5744 -5.4975 -5.4975 1.6937 1.6937 6.4944 6.4944 8.0936 8.0936 10.3743 10.3743 12.4788 12.4788 13.3046 13.3046 13.3766 13.3766 k = 0.0000 0.5000 0.2878 ( 2148 PWs) bands (ev): -31.9243 -31.9243 -13.2240 -13.2240 -12.8717 -12.8717 -12.7720 -12.7720 -8.1420 -8.1420 -8.0947 -8.0947 -5.6175 -5.6175 -5.5749 -5.5749 -5.4971 -5.4971 1.7005 1.7005 6.5367 6.5367 8.0545 8.0545 10.3113 10.3113 12.5218 12.5218 13.2954 13.2954 13.3704 13.3704 k = 0.0000 0.5000 0.2993 ( 2148 PWs) bands (ev): -31.9243 -31.9243 -13.2240 -13.2240 -12.8717 -12.8717 -12.7721 -12.7721 -8.1421 -8.1421 -8.0949 -8.0949 -5.6176 -5.6176 -5.5755 -5.5755 -5.4968 -5.4968 1.7069 1.7069 6.5769 6.5769 8.0195 8.0195 10.2501 10.2501 12.5637 12.5637 13.2870 13.2870 13.3649 13.3649 k = 0.0000 0.5000 0.3108 ( 2140 PWs) bands (ev): -31.9242 -31.9242 -13.2239 -13.2239 -12.8718 -12.8718 -12.7722 -12.7722 -8.1422 -8.1422 -8.0950 -8.0950 -5.6176 -5.6176 -5.5760 -5.5760 -5.4965 -5.4965 1.7128 1.7128 6.6144 6.6144 7.9887 7.9887 10.1916 10.1916 12.6041 12.6041 13.2792 13.2792 13.3602 13.3602 k = 0.0000 0.5000 0.3223 ( 2146 PWs) bands (ev): -31.9242 -31.9242 -13.2239 -13.2239 -12.8718 -12.8718 -12.7724 -12.7724 -8.1422 -8.1422 -8.0951 -8.0951 -5.6177 -5.6177 -5.5764 -5.5764 -5.4962 -5.4962 1.7181 1.7181 6.6488 6.6488 7.9621 7.9621 10.1367 10.1367 12.6420 12.6420 13.2724 13.2724 13.3561 13.3561 k = 0.0000 0.5000 0.3338 ( 2150 PWs) bands (ev): -31.9242 -31.9242 -13.2239 -13.2239 -12.8719 -12.8719 -12.7725 -12.7725 -8.1423 -8.1423 -8.0952 -8.0952 -5.6177 -5.6177 -5.5768 -5.5768 -5.4960 -5.4960 1.7229 1.7229 6.6794 6.6794 7.9397 7.9397 10.0865 10.0865 12.6769 12.6769 13.2663 13.2663 13.3524 13.3524 k = 0.0000 0.5000 0.3454 ( 2150 PWs) bands (ev): -31.9242 -31.9242 -13.2239 -13.2239 -12.8720 -12.8720 -12.7726 -12.7726 -8.1424 -8.1424 -8.0953 -8.0953 -5.6177 -5.6177 -5.5772 -5.5772 -5.4957 -5.4957 1.7270 1.7270 6.7060 6.7060 7.9214 7.9214 10.0421 10.0421 12.7082 12.7082 13.2612 13.2612 13.3492 13.3492 k = 0.0000 0.5000 0.3569 ( 2150 PWs) bands (ev): -31.9242 -31.9242 -13.2239 -13.2239 -12.8720 -12.8720 -12.7727 -12.7727 -8.1424 -8.1424 -8.0953 -8.0953 -5.6178 -5.6178 -5.5775 -5.5775 -5.4956 -5.4956 1.7304 1.7304 6.7282 6.7282 7.9070 7.9070 10.0042 10.0042 12.7351 12.7351 13.2569 13.2569 13.3464 13.3464 k = 0.0000 0.5000 0.3684 ( 2152 PWs) bands (ev): -31.9242 -31.9242 -13.2239 -13.2239 -12.8720 -12.8720 -12.7727 -12.7727 -8.1424 -8.1424 -8.0954 -8.0954 -5.6178 -5.6178 -5.5777 -5.5777 -5.4954 -5.4954 1.7331 1.7331 6.7457 6.7457 7.8962 7.8962 9.9738 9.9738 12.7569 12.7569 13.2536 13.2536 13.3441 13.3441 k = 0.0000 0.5000 0.3799 ( 2144 PWs) bands (ev): -31.9242 -31.9242 -13.2238 -13.2238 -12.8720 -12.8720 -12.7727 -12.7727 -8.1425 -8.1425 -8.0954 -8.0954 -5.6178 -5.6178 -5.5778 -5.5778 -5.4953 -5.4953 1.7351 1.7351 6.7583 6.7583 7.8887 7.8887 9.9515 9.9515 12.7729 12.7729 13.2514 13.2514 13.3424 13.3424 k = 0.0000 0.5000 0.3914 ( 2144 PWs) bands (ev): -31.9242 -31.9242 -13.2238 -13.2238 -12.8720 -12.8720 -12.7727 -12.7727 -8.1425 -8.1425 -8.0955 -8.0955 -5.6178 -5.6178 -5.5779 -5.5779 -5.4952 -5.4952 1.7362 1.7362 6.7659 6.7659 7.8843 7.8843 9.9379 9.9379 12.7828 12.7828 13.2499 13.2499 13.3413 13.3413 k = 0.0000 0.5000 0.4029 ( 2140 PWs) bands (ev): -31.9242 -31.9242 -13.2238 -13.2238 -12.8720 -12.8720 -12.7727 -12.7727 -8.1425 -8.1425 -8.0955 -8.0955 -5.6178 -5.6178 -5.5780 -5.5780 -5.4952 -5.4952 1.7366 1.7366 6.7685 6.7685 7.8829 7.8829 9.9334 9.9334 12.7861 12.7861 13.2495 13.2495 13.3410 13.3410 k = 0.5000 0.5000-0.0000 ( 2148 PWs) bands (ev): -31.9121 -31.9121 -13.2524 -13.2524 -12.9187 -12.9187 -12.8015 -12.8015 -8.1175 -8.1175 -8.1064 -8.1064 -5.6387 -5.6387 -5.5298 -5.5298 -5.4895 -5.4895 2.7392 2.7392 7.3208 7.3208 8.2554 8.2554 10.7988 10.7988 11.8799 11.8799 11.9276 11.9276 11.9573 11.9573 k = 0.5000 0.5000 0.0115 ( 2148 PWs) bands (ev): -31.9121 -31.9121 -13.2524 -13.2524 -12.9187 -12.9187 -12.8015 -12.8015 -8.1174 -8.1174 -8.1064 -8.1064 -5.6387 -5.6387 -5.5298 -5.5298 -5.4895 -5.4895 2.7401 2.7401 7.3201 7.3201 8.2546 8.2546 10.8010 10.8010 11.8601 11.8601 11.9083 11.9083 11.9294 11.9294 k = 0.5000 0.5000 0.0230 ( 2164 PWs) bands (ev): -31.9121 -31.9121 -13.2525 -13.2525 -12.9188 -12.9188 -12.8017 -12.8017 -8.1174 -8.1174 -8.1063 -8.1063 -5.6386 -5.6386 -5.5296 -5.5296 -5.4895 -5.4895 2.7428 2.7428 7.3180 7.3180 8.2523 8.2523 10.8075 10.8075 11.7308 11.7308 11.8983 11.8983 11.9347 11.9347 k = 0.5000 0.5000 0.0345 ( 2172 PWs) bands (ev): -31.9121 -31.9121 -13.2526 -13.2526 -12.9188 -12.9188 -12.8020 -12.8020 -8.1173 -8.1173 -8.1062 -8.1062 -5.6385 -5.6385 -5.5293 -5.5293 -5.4894 -5.4894 2.7473 2.7473 7.3146 7.3146 8.2485 8.2485 10.8182 10.8182 11.5680 11.5680 11.9051 11.9051 11.9437 11.9437 k = 0.5000 0.5000 0.0460 ( 2164 PWs) bands (ev): -31.9121 -31.9121 -13.2527 -13.2527 -12.9188 -12.9188 -12.8022 -12.8022 -8.1172 -8.1172 -8.1059 -8.1059 -5.6384 -5.6384 -5.5289 -5.5289 -5.4894 -5.4894 2.7535 2.7535 7.3097 7.3097 8.2432 8.2432 10.8334 10.8334 11.3983 11.3983 11.9164 11.9164 11.9563 11.9563 k = 0.5000 0.5000 0.0576 ( 2168 PWs) bands (ev): -31.9121 -31.9121 -13.2528 -13.2528 -12.9189 -12.9189 -12.8025 -12.8025 -8.1170 -8.1170 -8.1057 -8.1057 -5.6382 -5.6382 -5.5284 -5.5284 -5.4893 -5.4893 2.7615 2.7615 7.3036 7.3036 8.2366 8.2366 10.8528 10.8528 11.2270 11.2270 11.9313 11.9313 11.9723 11.9723 k = 0.5000 0.5000 0.0691 ( 2168 PWs) bands (ev): -31.9121 -31.9121 -13.2529 -13.2529 -12.9189 -12.9189 -12.8030 -12.8030 -8.1168 -8.1168 -8.1054 -8.1054 -5.6379 -5.6379 -5.5278 -5.5278 -5.4892 -5.4892 2.7712 2.7712 7.2962 7.2962 8.2286 8.2286 10.8764 10.8764 11.0561 11.0561 11.9494 11.9494 11.9917 11.9917 k = 0.5000 0.5000 0.0806 ( 2168 PWs) bands (ev): -31.9120 -31.9120 -13.2530 -13.2530 -12.9190 -12.9190 -12.8034 -12.8034 -8.1166 -8.1166 -8.1050 -8.1050 -5.6376 -5.6376 -5.5271 -5.5271 -5.4891 -5.4891 2.7826 2.7826 7.2876 7.2876 8.2194 8.2194 10.8866 10.8866 10.9044 10.9044 11.9708 11.9708 12.0144 12.0144 k = 0.5000 0.5000 0.0921 ( 2168 PWs) bands (ev): -31.9120 -31.9120 -13.2531 -13.2531 -12.9190 -12.9190 -12.8040 -12.8040 -8.1163 -8.1163 -8.1045 -8.1045 -5.6373 -5.6373 -5.5263 -5.5263 -5.4889 -5.4889 2.7956 2.7956 7.2779 7.2779 8.2090 8.2090 10.7191 10.7191 10.9366 10.9366 11.9951 11.9951 12.0402 12.0402 k = 0.5000 0.5000 0.1036 ( 2172 PWs) bands (ev): -31.9120 -31.9120 -13.2533 -13.2533 -12.9191 -12.9191 -12.8046 -12.8046 -8.1160 -8.1160 -8.1041 -8.1041 -5.6369 -5.6369 -5.5254 -5.5254 -5.4887 -5.4887 2.8101 2.8101 7.2671 7.2671 8.1976 8.1976 10.5542 10.5542 10.9729 10.9729 12.0225 12.0225 12.0690 12.0690 k = 0.5000 0.5000 0.1151 ( 2172 PWs) bands (ev): -31.9120 -31.9120 -13.2534 -13.2534 -12.9192 -12.9192 -12.8053 -12.8053 -8.1157 -8.1157 -8.1036 -8.1036 -5.6365 -5.6365 -5.5245 -5.5245 -5.4886 -5.4886 2.8262 2.8262 7.2553 7.2553 8.1853 8.1853 10.3922 10.3922 11.0135 11.0135 12.0526 12.0526 12.1006 12.1006 k = 0.5000 0.5000 0.1266 ( 2144 PWs) bands (ev): -31.9119 -31.9119 -13.2535 -13.2535 -12.9192 -12.9192 -12.8058 -12.8058 -8.1154 -8.1154 -8.1030 -8.1030 -5.6361 -5.6361 -5.5234 -5.5234 -5.4884 -5.4884 2.8438 2.8438 7.2425 7.2425 8.1722 8.1722 10.2335 10.2335 11.0584 11.0584 12.0857 12.0857 12.1351 12.1351 k = 0.5000 0.5000 0.1381 ( 2148 PWs) bands (ev): -31.9119 -31.9119 -13.2537 -13.2537 -12.9193 -12.9193 -12.8066 -12.8066 -8.1150 -8.1150 -8.1024 -8.1024 -5.6356 -5.6356 -5.5223 -5.5223 -5.4882 -5.4882 2.8626 2.8626 7.2289 7.2289 8.1585 8.1585 10.0785 10.0785 11.1073 11.1073 12.1210 12.1210 12.1719 12.1719 k = 0.5000 0.5000 0.1497 ( 2156 PWs) bands (ev): -31.9119 -31.9119 -13.2539 -13.2539 -12.9194 -12.9194 -12.8074 -12.8074 -8.1146 -8.1146 -8.1018 -8.1018 -5.6352 -5.6352 -5.5212 -5.5212 -5.4880 -5.4880 2.8828 2.8828 7.2146 7.2146 8.1442 8.1442 9.9273 9.9273 11.1603 11.1603 12.1588 12.1588 12.2110 12.2110 k = 0.5000 0.5000 0.1612 ( 2156 PWs) bands (ev): -31.9119 -31.9119 -13.2541 -13.2541 -12.9195 -12.9195 -12.8082 -12.8082 -8.1143 -8.1143 -8.1011 -8.1011 -5.6347 -5.6347 -5.5200 -5.5200 -5.4878 -5.4878 2.9041 2.9041 7.1995 7.1995 8.1296 8.1296 9.7803 9.7803 11.2173 11.2173 12.1988 12.1988 12.2522 12.2522 k = 0.5000 0.5000 0.1727 ( 2156 PWs) bands (ev): -31.9118 -31.9118 -13.2544 -13.2544 -12.9196 -12.9196 -12.8090 -12.8090 -8.1139 -8.1139 -8.1005 -8.1005 -5.6342 -5.6342 -5.5187 -5.5187 -5.4875 -5.4875 2.9265 2.9265 7.1839 7.1839 8.1147 8.1147 9.6379 9.6379 11.2784 11.2784 12.2409 12.2409 12.2953 12.2953 k = 0.5000 0.5000 0.1842 ( 2144 PWs) bands (ev): -31.9118 -31.9118 -13.2545 -13.2545 -12.9196 -12.9196 -12.8098 -12.8098 -8.1134 -8.1134 -8.0998 -8.0998 -5.6336 -5.6336 -5.5175 -5.5175 -5.4873 -5.4873 2.9497 2.9497 7.1677 7.1677 8.0996 8.0996 9.5002 9.5002 11.3435 11.3435 12.2848 12.2848 12.3401 12.3401 k = 0.5000 0.5000 0.1957 ( 2144 PWs) bands (ev): -31.9118 -31.9118 -13.2547 -13.2547 -12.9197 -12.9197 -12.8107 -12.8107 -8.1130 -8.1130 -8.0991 -8.0991 -5.6331 -5.6331 -5.5162 -5.5162 -5.4871 -5.4871 2.9738 2.9738 7.1511 7.1511 8.0845 8.0845 9.3675 9.3675 11.4124 11.4124 12.3304 12.3304 12.3862 12.3862 k = 0.5000 0.5000 0.2072 ( 2144 PWs) bands (ev): -31.9117 -31.9117 -13.2550 -13.2550 -12.9198 -12.9198 -12.8116 -12.8116 -8.1126 -8.1126 -8.0984 -8.0984 -5.6326 -5.6326 -5.5149 -5.5149 -5.4868 -5.4868 2.9984 2.9984 7.1342 7.1342 8.0696 8.0696 9.2402 9.2402 11.4852 11.4852 12.3774 12.3774 12.4335 12.4335 k = 0.5000 0.5000 0.2187 ( 2144 PWs) bands (ev): -31.9117 -31.9117 -13.2552 -13.2552 -12.9199 -12.9199 -12.8124 -12.8124 -8.1122 -8.1122 -8.0977 -8.0977 -5.6321 -5.6321 -5.5136 -5.5136 -5.4866 -5.4866 3.0235 3.0235 7.1169 7.1169 8.0548 8.0548 9.1185 9.1185 11.5617 11.5617 12.4256 12.4256 12.4816 12.4816 k = 0.5000 0.5000 0.2302 ( 2144 PWs) bands (ev): -31.9117 -31.9117 -13.2554 -13.2554 -12.9200 -12.9200 -12.8133 -12.8133 -8.1118 -8.1118 -8.0970 -8.0970 -5.6316 -5.6316 -5.5123 -5.5123 -5.4864 -5.4864 3.0489 3.0489 7.0996 7.0996 8.0404 8.0404 9.0027 9.0027 11.6420 11.6420 12.4747 12.4747 12.5304 12.5304 k = 0.5000 0.5000 0.2418 ( 2160 PWs) bands (ev): -31.9117 -31.9117 -13.2557 -13.2557 -12.9201 -12.9201 -12.8142 -12.8142 -8.1114 -8.1114 -8.0964 -8.0964 -5.6311 -5.6311 -5.5111 -5.5111 -5.4862 -5.4862 3.0742 3.0742 7.0821 7.0821 8.0264 8.0264 8.8931 8.8931 11.7258 11.7258 12.5243 12.5243 12.5793 12.5793 k = 0.5000 0.5000 0.2533 ( 2160 PWs) bands (ev): -31.9116 -31.9116 -13.2559 -13.2559 -12.9202 -12.9202 -12.8150 -12.8150 -8.1110 -8.1110 -8.0957 -8.0957 -5.6306 -5.6306 -5.5099 -5.5099 -5.4860 -5.4860 3.0995 3.0995 7.0647 7.0647 8.0130 8.0130 8.7899 8.7899 11.8131 11.8131 12.5744 12.5744 12.6282 12.6282 k = 0.5000 0.5000 0.2648 ( 2152 PWs) bands (ev): -31.9116 -31.9116 -13.2560 -13.2560 -12.9203 -12.9203 -12.8158 -12.8158 -8.1106 -8.1106 -8.0951 -8.0951 -5.6301 -5.6301 -5.5087 -5.5087 -5.4857 -5.4857 3.1243 3.1243 7.0474 7.0474 8.0002 8.0002 8.6935 8.6935 11.9039 11.9039 12.6243 12.6243 12.6766 12.6766 k = 0.5000 0.5000 0.2763 ( 2152 PWs) bands (ev): -31.9116 -31.9116 -13.2562 -13.2562 -12.9204 -12.9204 -12.8166 -12.8166 -8.1103 -8.1103 -8.0945 -8.0945 -5.6296 -5.6296 -5.5076 -5.5076 -5.4855 -5.4855 3.1485 3.1485 7.0304 7.0304 7.9881 7.9881 8.6040 8.6040 11.9979 11.9979 12.6738 12.6738 12.7241 12.7241 k = 0.5000 0.5000 0.2878 ( 2144 PWs) bands (ev): -31.9115 -31.9115 -13.2563 -13.2563 -12.9204 -12.9204 -12.8172 -12.8172 -8.1099 -8.1099 -8.0939 -8.0939 -5.6292 -5.6292 -5.5066 -5.5066 -5.4853 -5.4853 3.1718 3.1718 7.0138 7.0138 7.9767 7.9767 8.5218 8.5218 12.0949 12.0949 12.7223 12.7223 12.7702 12.7702 k = 0.5000 0.5000 0.2993 ( 2136 PWs) bands (ev): -31.9115 -31.9115 -13.2565 -13.2565 -12.9204 -12.9204 -12.8178 -12.8178 -8.1096 -8.1096 -8.0934 -8.0934 -5.6288 -5.6288 -5.5056 -5.5056 -5.4852 -5.4852 3.1939 3.1939 6.9978 6.9978 7.9663 7.9663 8.4469 8.4469 12.1948 12.1948 12.7694 12.7694 12.8146 12.8146 k = 0.5000 0.5000 0.3108 ( 2136 PWs) bands (ev): -31.9115 -31.9115 -13.2566 -13.2566 -12.9205 -12.9205 -12.8184 -12.8184 -8.1093 -8.1093 -8.0929 -8.0929 -5.6284 -5.6284 -5.5047 -5.5047 -5.4850 -5.4850 3.2146 3.2146 6.9826 6.9826 7.9568 7.9568 8.3796 8.3796 12.2973 12.2973 12.8145 12.8145 12.8566 12.8566 k = 0.5000 0.5000 0.3223 ( 2136 PWs) bands (ev): -31.9115 -31.9115 -13.2568 -13.2568 -12.9206 -12.9206 -12.8190 -12.8190 -8.1091 -8.1091 -8.0925 -8.0925 -5.6281 -5.6281 -5.5039 -5.5039 -5.4849 -5.4849 3.2337 3.2337 6.9684 6.9684 7.9482 7.9482 8.3200 8.3200 12.4019 12.4019 12.8568 12.8568 12.8957 12.8957 k = 0.5000 0.5000 0.3338 ( 2136 PWs) bands (ev): -31.9114 -31.9114 -13.2569 -13.2569 -12.9206 -12.9206 -12.8194 -12.8194 -8.1089 -8.1089 -8.0921 -8.0921 -5.6278 -5.6278 -5.5032 -5.5032 -5.4847 -5.4847 3.2508 3.2508 6.9554 6.9554 7.9407 7.9407 8.2683 8.2683 12.5081 12.5081 12.8958 12.8958 12.9314 12.9314 k = 0.5000 0.5000 0.3454 ( 2136 PWs) bands (ev): -31.9114 -31.9114 -13.2570 -13.2570 -12.9207 -12.9207 -12.8198 -12.8198 -8.1087 -8.1087 -8.0918 -8.0918 -5.6276 -5.6276 -5.5026 -5.5026 -5.4846 -5.4846 3.2657 3.2657 6.9439 6.9439 7.9343 7.9343 8.2244 8.2244 12.6151 12.6151 12.9306 12.9306 12.9631 12.9631 k = 0.5000 0.5000 0.3569 ( 2136 PWs) bands (ev): -31.9114 -31.9114 -13.2571 -13.2571 -12.9207 -12.9207 -12.8202 -12.8202 -8.1085 -8.1085 -8.0915 -8.0915 -5.6274 -5.6274 -5.5021 -5.5021 -5.4845 -5.4845 3.2783 3.2783 6.9341 6.9341 7.9290 7.9290 8.1885 8.1885 12.7211 12.7211 12.9606 12.9606 12.9904 12.9904 k = 0.5000 0.5000 0.3684 ( 2136 PWs) bands (ev): -31.9114 -31.9114 -13.2572 -13.2572 -12.9207 -12.9207 -12.8205 -12.8205 -8.1084 -8.1084 -8.0913 -8.0913 -5.6272 -5.6272 -5.5017 -5.5017 -5.4845 -5.4845 3.2883 3.2883 6.9262 6.9262 7.9248 7.9248 8.1606 8.1606 12.8231 12.8231 12.9848 12.9848 13.0131 13.0131 k = 0.5000 0.5000 0.3799 ( 2136 PWs) bands (ev): -31.9114 -31.9114 -13.2572 -13.2572 -12.9207 -12.9207 -12.8207 -12.8207 -8.1083 -8.1083 -8.0912 -8.0912 -5.6271 -5.6271 -5.5014 -5.5014 -5.4844 -5.4844 3.2955 3.2955 6.9204 6.9204 7.9218 7.9218 8.1407 8.1407 12.9142 12.9142 13.0027 13.0027 13.0320 13.0320 k = 0.5000 0.5000 0.3914 ( 2144 PWs) bands (ev): -31.9114 -31.9114 -13.2573 -13.2573 -12.9207 -12.9207 -12.8209 -12.8209 -8.1082 -8.1082 -8.0911 -8.0911 -5.6270 -5.6270 -5.5012 -5.5012 -5.4844 -5.4844 3.2999 3.2999 6.9169 6.9169 7.9200 7.9200 8.1287 8.1287 12.9788 12.9788 13.0137 13.0137 13.0499 13.0499 k = 0.5000 0.5000 0.4029 ( 2160 PWs) bands (ev): -31.9114 -31.9114 -13.2573 -13.2573 -12.9208 -12.9208 -12.8210 -12.8210 -8.1082 -8.1082 -8.0910 -8.0910 -5.6270 -5.6270 -5.5012 -5.5012 -5.4844 -5.4844 3.3014 3.3014 6.9157 6.9157 7.9194 7.9194 8.1247 8.1247 12.9998 12.9998 13.0174 13.0174 13.0614 13.0614 Writing output data file CaPb.save init_run : 0.19s CPU 0.71s WALL ( 1 calls) electrons : 109.00s CPU 112.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 108.99s CPU 112.88s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 414 calls) cegterg : 103.17s CPU 105.05s WALL ( 840 calls) Called by sum_band: Called by *egterg: h_psi : 49.64s CPU 51.13s WALL ( 14610 calls) s_psi : 1.94s CPU 1.95s WALL ( 14610 calls) g_psi : 0.11s CPU 0.13s WALL ( 13356 calls) cdiaghg : 47.45s CPU 48.09s WALL ( 13770 calls) cegterg:over : 3.19s CPU 2.93s WALL ( 13356 calls) cegterg:upda : 2.04s CPU 2.21s WALL ( 13356 calls) cegterg:last : 1.24s CPU 1.25s WALL ( 2082 calls) cdiaghg:chol : 2.29s CPU 2.38s WALL ( 13770 calls) cdiaghg:inve : 1.04s CPU 1.00s WALL ( 13770 calls) cdiaghg:para : 2.85s CPU 2.90s WALL ( 27540 calls) Called by h_psi: h_psi:vloc : 45.20s CPU 46.44s WALL ( 14610 calls) h_psi:vnl : 4.38s CPU 4.62s WALL ( 14610 calls) add_vuspsi : 2.24s CPU 2.47s WALL ( 14610 calls) General routines calbec : 2.10s CPU 2.11s WALL ( 14610 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 42.74s CPU 43.93s WALL ( 771292 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.12s WALL ( 828 calls) Parallel routines fft_scatter : 18.66s CPU 19.36s WALL ( 771315 calls) PWSCF : 1m59.78s CPU 2m41.91s WALL This run was terminated on: 16:30: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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