Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:40:11 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: ./AgCNO.save/ 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 53 30 9 2247 968 157 Max 54 31 10 2252 989 161 Sum 1917 1095 329 80907 35193 5703 bravais-lattice index = 14 lattice parameter (alat) = 6.7633 a.u. unit-cell volume = 810.2376 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.763329 celldm(2)= 1.614138 celldm(3)= 1.622520 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 1.614138 0.000000 ) a(3) = ( 0.000000 0.000000 1.622520 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.619526 -0.000000 ) b(3) = ( 0.000000 0.000000 0.616325 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) C 4.00 12.01070 C( 1.00) Ag 11.00 107.86820 Ag( 1.00) 8 Sym. Ops., with inversion, found ( 6 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.8070690 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.8070690 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.8070690 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.8070690 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0024272 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0024272 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0024272 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0024272 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0024272 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0024272 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0024272 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0024272 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0024272 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0024272 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0024272 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0024272 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0024272 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0024272 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0024272 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0024272 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0024272 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0024272 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0024272 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0024272 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0024272 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0024272 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0024272 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0024272 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0024272 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0024272 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0024272 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0024272 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0024272 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0024272 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0024272 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0024272 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0024272 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0024272 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 47) = ( 0.5000000 0.0110630 -0.0000000), wk = 0.0024272 k( 48) = ( 0.5000000 0.0221259 -0.0000000), wk = 0.0024272 k( 49) = ( 0.5000000 0.0331889 -0.0000000), wk = 0.0024272 k( 50) = ( 0.5000000 0.0442518 -0.0000000), wk = 0.0024272 k( 51) = ( 0.5000000 0.0553148 -0.0000000), wk = 0.0024272 k( 52) = ( 0.5000000 0.0663778 -0.0000000), wk = 0.0024272 k( 53) = ( 0.5000000 0.0774407 -0.0000000), wk = 0.0024272 k( 54) = ( 0.5000000 0.0885037 -0.0000000), wk = 0.0024272 k( 55) = ( 0.5000000 0.0995666 -0.0000000), wk = 0.0024272 k( 56) = ( 0.5000000 0.1106296 -0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.1216925 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.1327555 -0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.1438185 -0.0000000), wk = 0.0024272 k( 60) = ( 0.5000000 0.1548814 -0.0000000), wk = 0.0024272 k( 61) = ( 0.5000000 0.1659444 -0.0000000), wk = 0.0024272 k( 62) = ( 0.5000000 0.1770073 -0.0000000), wk = 0.0024272 k( 63) = ( 0.5000000 0.1880703 -0.0000000), wk = 0.0024272 k( 64) = ( 0.5000000 0.1991333 -0.0000000), wk = 0.0024272 k( 65) = ( 0.5000000 0.2101962 -0.0000000), wk = 0.0024272 k( 66) = ( 0.5000000 0.2212592 -0.0000000), wk = 0.0024272 k( 67) = ( 0.5000000 0.2323221 -0.0000000), wk = 0.0024272 k( 68) = ( 0.5000000 0.2433851 -0.0000000), wk = 0.0024272 k( 69) = ( 0.5000000 0.2544481 -0.0000000), wk = 0.0024272 k( 70) = ( 0.5000000 0.2655110 -0.0000000), wk = 0.0024272 k( 71) = ( 0.5000000 0.2765740 -0.0000000), wk = 0.0024272 k( 72) = ( 0.5000000 0.2876369 -0.0000000), wk = 0.0024272 k( 73) = ( 0.5000000 0.2986999 -0.0000000), wk = 0.0024272 k( 74) = ( 0.5000000 0.3097629 -0.0000000), wk = 0.0024272 k( 75) = ( 0.5000000 0.3097629 -0.0000000), wk = 0.0024272 k( 76) = ( 0.4886364 0.3097629 -0.0000000), wk = 0.0024272 k( 77) = ( 0.4772727 0.3097629 -0.0000000), wk = 0.0024272 k( 78) = ( 0.4659091 0.3097629 -0.0000000), wk = 0.0024272 k( 79) = ( 0.4545455 0.3097629 -0.0000000), wk = 0.0024272 k( 80) = ( 0.4431818 0.3097629 -0.0000000), wk = 0.0024272 k( 81) = ( 0.4318182 0.3097629 -0.0000000), wk = 0.0024272 k( 82) = ( 0.4204545 0.3097629 -0.0000000), wk = 0.0024272 k( 83) = ( 0.4090909 0.3097629 -0.0000000), wk = 0.0024272 k( 84) = ( 0.3977273 0.3097629 -0.0000000), wk = 0.0024272 k( 85) = ( 0.3863636 0.3097629 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3750000 0.3097629 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3636364 0.3097629 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3522727 0.3097629 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3409091 0.3097629 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3295455 0.3097629 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3181818 0.3097629 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3068182 0.3097629 -0.0000000), wk = 0.0024272 k( 93) = ( 0.2954545 0.3097629 -0.0000000), wk = 0.0024272 k( 94) = ( 0.2840909 0.3097629 -0.0000000), wk = 0.0024272 k( 95) = ( 0.2727273 0.3097629 -0.0000000), wk = 0.0024272 k( 96) = ( 0.2613636 0.3097629 -0.0000000), wk = 0.0024272 k( 97) = ( 0.2500000 0.3097629 -0.0000000), wk = 0.0024272 k( 98) = ( 0.2386364 0.3097629 -0.0000000), wk = 0.0024272 k( 99) = ( 0.2272727 0.3097629 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2159091 0.3097629 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2045454 0.3097629 -0.0000000), wk = 0.0024272 k( 102) = ( 0.1931818 0.3097629 -0.0000000), wk = 0.0024272 k( 103) = ( 0.1818182 0.3097629 -0.0000000), wk = 0.0024272 k( 104) = ( 0.1704546 0.3097629 -0.0000000), wk = 0.0024272 k( 105) = ( 0.1590909 0.3097629 -0.0000000), wk = 0.0024272 k( 106) = ( 0.1477273 0.3097629 -0.0000000), wk = 0.0024272 k( 107) = ( 0.1363636 0.3097629 -0.0000000), wk = 0.0024272 k( 108) = ( 0.1250000 0.3097629 -0.0000000), wk = 0.0024272 k( 109) = ( 0.1136364 0.3097629 -0.0000000), wk = 0.0024272 k( 110) = ( 0.1022727 0.3097629 -0.0000000), wk = 0.0024272 k( 111) = ( 0.0909091 0.3097629 -0.0000000), wk = 0.0024272 k( 112) = ( 0.0795455 0.3097629 -0.0000000), wk = 0.0024272 k( 113) = ( 0.0681818 0.3097629 -0.0000000), wk = 0.0024272 k( 114) = ( 0.0568182 0.3097629 -0.0000000), wk = 0.0024272 k( 115) = ( 0.0454546 0.3097629 -0.0000000), wk = 0.0024272 k( 116) = ( 0.0340909 0.3097629 -0.0000000), wk = 0.0024272 k( 117) = ( 0.0227273 0.3097629 -0.0000000), wk = 0.0024272 k( 118) = ( 0.0113636 0.3097629 -0.0000000), wk = 0.0024272 k( 119) = ( 0.0000000 0.3097629 -0.0000000), wk = 0.0024272 k( 120) = ( 0.0000000 0.3097629 -0.0000000), wk = 0.0024272 k( 121) = ( 0.0000000 0.2986999 -0.0000000), wk = 0.0024272 k( 122) = ( 0.0000000 0.2876369 -0.0000000), wk = 0.0024272 k( 123) = ( 0.0000000 0.2765740 -0.0000000), wk = 0.0024272 k( 124) = ( 0.0000000 0.2655110 -0.0000000), wk = 0.0024272 k( 125) = ( 0.0000000 0.2544481 -0.0000000), wk = 0.0024272 k( 126) = ( 0.0000000 0.2433851 -0.0000000), wk = 0.0024272 k( 127) = ( 0.0000000 0.2323221 -0.0000000), wk = 0.0024272 k( 128) = ( 0.0000000 0.2212592 -0.0000000), wk = 0.0024272 k( 129) = ( 0.0000000 0.2101962 -0.0000000), wk = 0.0024272 k( 130) = ( 0.0000000 0.1991333 -0.0000000), wk = 0.0024272 k( 131) = ( 0.0000000 0.1880703 -0.0000000), wk = 0.0024272 k( 132) = ( 0.0000000 0.1770073 -0.0000000), wk = 0.0024272 k( 133) = ( 0.0000000 0.1659444 -0.0000000), wk = 0.0024272 k( 134) = ( 0.0000000 0.1548814 -0.0000000), wk = 0.0024272 k( 135) = ( 0.0000000 0.1438185 -0.0000000), wk = 0.0024272 k( 136) = ( 0.0000000 0.1327555 -0.0000000), wk = 0.0024272 k( 137) = ( 0.0000000 0.1216925 -0.0000000), wk = 0.0024272 k( 138) = ( 0.0000000 0.1106296 -0.0000000), wk = 0.0024272 k( 139) = ( 0.0000000 0.0995666 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0000000 0.0885037 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0000000 0.0774407 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0000000 0.0663778 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0000000 0.0553148 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0000000 0.0442518 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0000000 0.0331889 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0000000 0.0221259 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0000000 0.0110630 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 150) = ( 0.0000000 0.0000000 0.0110058), wk = 0.0024272 k( 151) = ( 0.0000000 0.0000000 0.0220116), wk = 0.0024272 k( 152) = ( 0.0000000 0.0000000 0.0330174), wk = 0.0024272 k( 153) = ( 0.0000000 0.0000000 0.0440232), wk = 0.0024272 k( 154) = ( 0.0000000 0.0000000 0.0550290), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.0660348), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.0770406), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.0880464), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0990523), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.1100581), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.1210639), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.1320697), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.1430755), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.1540813), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.1650871), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.1760929), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.1870987), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.1981045), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.2091103), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.2201161), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.2311219), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.2421277), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.2531335), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.2641393), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.2751451), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.2861509), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.2971568), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.3081626), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.3081626), wk = 0.0024272 k( 179) = ( 0.0113636 -0.0000000 0.3081626), wk = 0.0024272 k( 180) = ( 0.0227273 -0.0000000 0.3081626), wk = 0.0024272 k( 181) = ( 0.0340909 -0.0000000 0.3081626), wk = 0.0024272 k( 182) = ( 0.0454546 -0.0000000 0.3081626), wk = 0.0024272 k( 183) = ( 0.0568182 -0.0000000 0.3081626), wk = 0.0024272 k( 184) = ( 0.0681818 -0.0000000 0.3081626), wk = 0.0024272 k( 185) = ( 0.0795455 -0.0000000 0.3081626), wk = 0.0024272 k( 186) = ( 0.0909091 -0.0000000 0.3081626), wk = 0.0024272 k( 187) = ( 0.1022727 -0.0000000 0.3081626), wk = 0.0024272 k( 188) = ( 0.1136364 -0.0000000 0.3081626), wk = 0.0024272 k( 189) = ( 0.1250000 -0.0000000 0.3081626), wk = 0.0024272 k( 190) = ( 0.1363636 -0.0000000 0.3081626), wk = 0.0024272 k( 191) = ( 0.1477273 -0.0000000 0.3081626), wk = 0.0024272 k( 192) = ( 0.1590909 -0.0000000 0.3081626), wk = 0.0024272 k( 193) = ( 0.1704546 -0.0000000 0.3081626), wk = 0.0024272 k( 194) = ( 0.1818182 -0.0000000 0.3081626), wk = 0.0024272 k( 195) = ( 0.1931818 -0.0000000 0.3081626), wk = 0.0024272 k( 196) = ( 0.2045454 -0.0000000 0.3081626), wk = 0.0024272 k( 197) = ( 0.2159091 -0.0000000 0.3081626), wk = 0.0024272 k( 198) = ( 0.2272727 -0.0000000 0.3081626), wk = 0.0024272 k( 199) = ( 0.2386364 -0.0000000 0.3081626), wk = 0.0024272 k( 200) = ( 0.2500000 -0.0000000 0.3081626), wk = 0.0024272 k( 201) = ( 0.2613636 -0.0000000 0.3081626), wk = 0.0024272 k( 202) = ( 0.2727273 -0.0000000 0.3081626), wk = 0.0024272 k( 203) = ( 0.2840909 -0.0000000 0.3081626), wk = 0.0024272 k( 204) = ( 0.2954545 -0.0000000 0.3081626), wk = 0.0024272 k( 205) = ( 0.3068182 -0.0000000 0.3081626), wk = 0.0024272 k( 206) = ( 0.3181818 -0.0000000 0.3081626), wk = 0.0024272 k( 207) = ( 0.3295455 -0.0000000 0.3081626), wk = 0.0024272 k( 208) = ( 0.3409091 -0.0000000 0.3081626), wk = 0.0024272 k( 209) = ( 0.3522727 -0.0000000 0.3081626), wk = 0.0024272 k( 210) = ( 0.3636364 -0.0000000 0.3081626), wk = 0.0024272 k( 211) = ( 0.3750000 -0.0000000 0.3081626), wk = 0.0024272 k( 212) = ( 0.3863636 -0.0000000 0.3081626), wk = 0.0024272 k( 213) = ( 0.3977273 -0.0000000 0.3081626), wk = 0.0024272 k( 214) = ( 0.4090909 -0.0000000 0.3081626), wk = 0.0024272 k( 215) = ( 0.4204545 -0.0000000 0.3081626), wk = 0.0024272 k( 216) = ( 0.4318182 -0.0000000 0.3081626), wk = 0.0024272 k( 217) = ( 0.4431818 -0.0000000 0.3081626), wk = 0.0024272 k( 218) = ( 0.4545455 -0.0000000 0.3081626), wk = 0.0024272 k( 219) = ( 0.4659091 -0.0000000 0.3081626), wk = 0.0024272 k( 220) = ( 0.4772727 -0.0000000 0.3081626), wk = 0.0024272 k( 221) = ( 0.4886364 -0.0000000 0.3081626), wk = 0.0024272 k( 222) = ( 0.5000000 -0.0000000 0.3081626), wk = 0.0024272 k( 223) = ( 0.5000000 -0.0000000 0.3081626), wk = 0.0024272 k( 224) = ( 0.5000000 0.0110630 0.3081626), wk = 0.0024272 k( 225) = ( 0.5000000 0.0221259 0.3081626), wk = 0.0024272 k( 226) = ( 0.5000000 0.0331889 0.3081626), wk = 0.0024272 k( 227) = ( 0.5000000 0.0442518 0.3081626), wk = 0.0024272 k( 228) = ( 0.5000000 0.0553148 0.3081626), wk = 0.0024272 k( 229) = ( 0.5000000 0.0663778 0.3081626), wk = 0.0024272 k( 230) = ( 0.5000000 0.0774407 0.3081626), wk = 0.0024272 k( 231) = ( 0.5000000 0.0885037 0.3081626), wk = 0.0024272 k( 232) = ( 0.5000000 0.0995666 0.3081626), wk = 0.0024272 k( 233) = ( 0.5000000 0.1106296 0.3081626), wk = 0.0024272 k( 234) = ( 0.5000000 0.1216925 0.3081626), wk = 0.0024272 k( 235) = ( 0.5000000 0.1327555 0.3081626), wk = 0.0024272 k( 236) = ( 0.5000000 0.1438185 0.3081626), wk = 0.0024272 k( 237) = ( 0.5000000 0.1548814 0.3081626), wk = 0.0024272 k( 238) = ( 0.5000000 0.1659444 0.3081626), wk = 0.0024272 k( 239) = ( 0.5000000 0.1770073 0.3081626), wk = 0.0024272 k( 240) = ( 0.5000000 0.1880703 0.3081626), wk = 0.0024272 k( 241) = ( 0.5000000 0.1991333 0.3081626), wk = 0.0024272 k( 242) = ( 0.5000000 0.2101962 0.3081626), wk = 0.0024272 k( 243) = ( 0.5000000 0.2212592 0.3081626), wk = 0.0024272 k( 244) = ( 0.5000000 0.2323221 0.3081626), wk = 0.0024272 k( 245) = ( 0.5000000 0.2433851 0.3081626), wk = 0.0024272 k( 246) = ( 0.5000000 0.2544481 0.3081626), wk = 0.0024272 k( 247) = ( 0.5000000 0.2655110 0.3081626), wk = 0.0024272 k( 248) = ( 0.5000000 0.2765740 0.3081626), wk = 0.0024272 k( 249) = ( 0.5000000 0.2876369 0.3081626), wk = 0.0024272 k( 250) = ( 0.5000000 0.2986999 0.3081626), wk = 0.0024272 k( 251) = ( 0.5000000 0.3097629 0.3081626), wk = 0.0024272 k( 252) = ( 0.5000000 0.3097629 0.3081626), wk = 0.0024272 k( 253) = ( 0.4886364 0.3097629 0.3081626), wk = 0.0024272 k( 254) = ( 0.4772727 0.3097629 0.3081626), wk = 0.0024272 k( 255) = ( 0.4659091 0.3097629 0.3081626), wk = 0.0024272 k( 256) = ( 0.4545455 0.3097629 0.3081626), wk = 0.0024272 k( 257) = ( 0.4431818 0.3097629 0.3081626), wk = 0.0024272 k( 258) = ( 0.4318182 0.3097629 0.3081626), wk = 0.0024272 k( 259) = ( 0.4204545 0.3097629 0.3081626), wk = 0.0024272 k( 260) = ( 0.4090909 0.3097629 0.3081626), wk = 0.0024272 k( 261) = ( 0.3977273 0.3097629 0.3081626), wk = 0.0024272 k( 262) = ( 0.3863636 0.3097629 0.3081626), wk = 0.0024272 k( 263) = ( 0.3750000 0.3097629 0.3081626), wk = 0.0024272 k( 264) = ( 0.3636364 0.3097629 0.3081626), wk = 0.0024272 k( 265) = ( 0.3522727 0.3097629 0.3081626), wk = 0.0024272 k( 266) = ( 0.3409091 0.3097629 0.3081626), wk = 0.0024272 k( 267) = ( 0.3295455 0.3097629 0.3081626), wk = 0.0024272 k( 268) = ( 0.3181818 0.3097629 0.3081626), wk = 0.0024272 k( 269) = ( 0.3068182 0.3097629 0.3081626), wk = 0.0024272 k( 270) = ( 0.2954545 0.3097629 0.3081626), wk = 0.0024272 k( 271) = ( 0.2840909 0.3097629 0.3081626), wk = 0.0024272 k( 272) = ( 0.2727273 0.3097629 0.3081626), wk = 0.0024272 k( 273) = ( 0.2613636 0.3097629 0.3081626), wk = 0.0024272 k( 274) = ( 0.2500000 0.3097629 0.3081626), wk = 0.0024272 k( 275) = ( 0.2386364 0.3097629 0.3081626), wk = 0.0024272 k( 276) = ( 0.2272727 0.3097629 0.3081626), wk = 0.0024272 k( 277) = ( 0.2159091 0.3097629 0.3081626), wk = 0.0024272 k( 278) = ( 0.2045454 0.3097629 0.3081626), wk = 0.0024272 k( 279) = ( 0.1931818 0.3097629 0.3081626), wk = 0.0024272 k( 280) = ( 0.1818182 0.3097629 0.3081626), wk = 0.0024272 k( 281) = ( 0.1704546 0.3097629 0.3081626), wk = 0.0024272 k( 282) = ( 0.1590909 0.3097629 0.3081626), wk = 0.0024272 k( 283) = ( 0.1477273 0.3097629 0.3081626), wk = 0.0024272 k( 284) = ( 0.1363636 0.3097629 0.3081626), wk = 0.0024272 k( 285) = ( 0.1250000 0.3097629 0.3081626), wk = 0.0024272 k( 286) = ( 0.1136364 0.3097629 0.3081626), wk = 0.0024272 k( 287) = ( 0.1022727 0.3097629 0.3081626), wk = 0.0024272 k( 288) = ( 0.0909091 0.3097629 0.3081626), wk = 0.0024272 k( 289) = ( 0.0795455 0.3097629 0.3081626), wk = 0.0024272 k( 290) = ( 0.0681818 0.3097629 0.3081626), wk = 0.0024272 k( 291) = ( 0.0568182 0.3097629 0.3081626), wk = 0.0024272 k( 292) = ( 0.0454546 0.3097629 0.3081626), wk = 0.0024272 k( 293) = ( 0.0340909 0.3097629 0.3081626), wk = 0.0024272 k( 294) = ( 0.0227273 0.3097629 0.3081626), wk = 0.0024272 k( 295) = ( 0.0113636 0.3097629 0.3081626), wk = 0.0024272 k( 296) = ( 0.0000000 0.3097629 0.3081626), wk = 0.0024272 k( 297) = ( 0.0000000 0.3097629 0.3081626), wk = 0.0024272 k( 298) = ( 0.0000000 0.2986999 0.3081626), wk = 0.0024272 k( 299) = ( 0.0000000 0.2876369 0.3081626), wk = 0.0024272 k( 300) = ( 0.0000000 0.2765740 0.3081626), wk = 0.0024272 k( 301) = ( 0.0000000 0.2655110 0.3081626), wk = 0.0024272 k( 302) = ( 0.0000000 0.2544481 0.3081626), wk = 0.0024272 k( 303) = ( 0.0000000 0.2433851 0.3081626), wk = 0.0024272 k( 304) = ( 0.0000000 0.2323221 0.3081626), wk = 0.0024272 k( 305) = ( 0.0000000 0.2212592 0.3081626), wk = 0.0024272 k( 306) = ( 0.0000000 0.2101962 0.3081626), wk = 0.0024272 k( 307) = ( 0.0000000 0.1991333 0.3081626), wk = 0.0024272 k( 308) = ( 0.0000000 0.1880703 0.3081626), wk = 0.0024272 k( 309) = ( 0.0000000 0.1770073 0.3081626), wk = 0.0024272 k( 310) = ( 0.0000000 0.1659444 0.3081626), wk = 0.0024272 k( 311) = ( 0.0000000 0.1548814 0.3081626), wk = 0.0024272 k( 312) = ( 0.0000000 0.1438185 0.3081626), wk = 0.0024272 k( 313) = ( 0.0000000 0.1327555 0.3081626), wk = 0.0024272 k( 314) = ( 0.0000000 0.1216925 0.3081626), wk = 0.0024272 k( 315) = ( 0.0000000 0.1106296 0.3081626), wk = 0.0024272 k( 316) = ( 0.0000000 0.0995666 0.3081626), wk = 0.0024272 k( 317) = ( 0.0000000 0.0885037 0.3081626), wk = 0.0024272 k( 318) = ( 0.0000000 0.0774407 0.3081626), wk = 0.0024272 k( 319) = ( 0.0000000 0.0663778 0.3081626), wk = 0.0024272 k( 320) = ( 0.0000000 0.0553148 0.3081626), wk = 0.0024272 k( 321) = ( 0.0000000 0.0442518 0.3081626), wk = 0.0024272 k( 322) = ( 0.0000000 0.0331889 0.3081626), wk = 0.0024272 k( 323) = ( 0.0000000 0.0221259 0.3081626), wk = 0.0024272 k( 324) = ( 0.0000000 0.0110630 0.3081626), wk = 0.0024272 k( 325) = ( 0.0000000 0.0000000 0.3081626), wk = 0.0024272 k( 326) = ( 0.0000000 0.3097629 -0.0000000), wk = 0.0024272 k( 327) = ( 0.0000000 0.3097629 0.0110058), wk = 0.0024272 k( 328) = ( 0.0000000 0.3097629 0.0220116), wk = 0.0024272 k( 329) = ( 0.0000000 0.3097629 0.0330174), wk = 0.0024272 k( 330) = ( 0.0000000 0.3097629 0.0440232), wk = 0.0024272 k( 331) = ( 0.0000000 0.3097629 0.0550290), wk = 0.0024272 k( 332) = ( 0.0000000 0.3097629 0.0660348), wk = 0.0024272 k( 333) = ( 0.0000000 0.3097629 0.0770406), wk = 0.0024272 k( 334) = ( 0.0000000 0.3097629 0.0880464), wk = 0.0024272 k( 335) = ( 0.0000000 0.3097629 0.0990523), wk = 0.0024272 k( 336) = ( 0.0000000 0.3097629 0.1100581), wk = 0.0024272 k( 337) = ( 0.0000000 0.3097629 0.1210639), wk = 0.0024272 k( 338) = ( 0.0000000 0.3097629 0.1320697), wk = 0.0024272 k( 339) = ( 0.0000000 0.3097629 0.1430755), wk = 0.0024272 k( 340) = ( 0.0000000 0.3097629 0.1540813), wk = 0.0024272 k( 341) = ( 0.0000000 0.3097629 0.1650871), wk = 0.0024272 k( 342) = ( 0.0000000 0.3097629 0.1760929), wk = 0.0024272 k( 343) = ( 0.0000000 0.3097629 0.1870987), wk = 0.0024272 k( 344) = ( 0.0000000 0.3097629 0.1981045), wk = 0.0024272 k( 345) = ( 0.0000000 0.3097629 0.2091103), wk = 0.0024272 k( 346) = ( 0.0000000 0.3097629 0.2201161), wk = 0.0024272 k( 347) = ( 0.0000000 0.3097629 0.2311219), wk = 0.0024272 k( 348) = ( 0.0000000 0.3097629 0.2421277), wk = 0.0024272 k( 349) = ( 0.0000000 0.3097629 0.2531335), wk = 0.0024272 k( 350) = ( 0.0000000 0.3097629 0.2641393), wk = 0.0024272 k( 351) = ( 0.0000000 0.3097629 0.2751451), wk = 0.0024272 k( 352) = ( 0.0000000 0.3097629 0.2861509), wk = 0.0024272 k( 353) = ( 0.0000000 0.3097629 0.2971568), wk = 0.0024272 k( 354) = ( 0.0000000 0.3097629 0.3081626), wk = 0.0024272 k( 355) = ( 0.5000000 -0.0000000 0.3081626), wk = 0.0024272 k( 356) = ( 0.5000000 -0.0000000 0.2971568), wk = 0.0024272 k( 357) = ( 0.5000000 -0.0000000 0.2861509), wk = 0.0024272 k( 358) = ( 0.5000000 -0.0000000 0.2751451), wk = 0.0024272 k( 359) = ( 0.5000000 -0.0000000 0.2641393), wk = 0.0024272 k( 360) = ( 0.5000000 -0.0000000 0.2531335), wk = 0.0024272 k( 361) = ( 0.5000000 -0.0000000 0.2421277), wk = 0.0024272 k( 362) = ( 0.5000000 -0.0000000 0.2311219), wk = 0.0024272 k( 363) = ( 0.5000000 -0.0000000 0.2201161), wk = 0.0024272 k( 364) = ( 0.5000000 -0.0000000 0.2091103), wk = 0.0024272 k( 365) = ( 0.5000000 -0.0000000 0.1981045), wk = 0.0024272 k( 366) = ( 0.5000000 -0.0000000 0.1870987), wk = 0.0024272 k( 367) = ( 0.5000000 -0.0000000 0.1760929), wk = 0.0024272 k( 368) = ( 0.5000000 -0.0000000 0.1650871), wk = 0.0024272 k( 369) = ( 0.5000000 -0.0000000 0.1540813), wk = 0.0024272 k( 370) = ( 0.5000000 -0.0000000 0.1430755), wk = 0.0024272 k( 371) = ( 0.5000000 -0.0000000 0.1320697), wk = 0.0024272 k( 372) = ( 0.5000000 -0.0000000 0.1210639), wk = 0.0024272 k( 373) = ( 0.5000000 -0.0000000 0.1100581), wk = 0.0024272 k( 374) = ( 0.5000000 -0.0000000 0.0990523), wk = 0.0024272 k( 375) = ( 0.5000000 -0.0000000 0.0880464), wk = 0.0024272 k( 376) = ( 0.5000000 -0.0000000 0.0770406), wk = 0.0024272 k( 377) = ( 0.5000000 -0.0000000 0.0660348), wk = 0.0024272 k( 378) = ( 0.5000000 -0.0000000 0.0550290), wk = 0.0024272 k( 379) = ( 0.5000000 -0.0000000 0.0440232), wk = 0.0024272 k( 380) = ( 0.5000000 -0.0000000 0.0330174), wk = 0.0024272 k( 381) = ( 0.5000000 -0.0000000 0.0220116), wk = 0.0024272 k( 382) = ( 0.5000000 -0.0000000 0.0110058), wk = 0.0024272 k( 383) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 384) = ( 0.5000000 0.3097629 -0.0000000), wk = 0.0024272 k( 385) = ( 0.5000000 0.3097629 0.0110058), wk = 0.0024272 k( 386) = ( 0.5000000 0.3097629 0.0220116), wk = 0.0024272 k( 387) = ( 0.5000000 0.3097629 0.0330174), wk = 0.0024272 k( 388) = ( 0.5000000 0.3097629 0.0440232), wk = 0.0024272 k( 389) = ( 0.5000000 0.3097629 0.0550290), wk = 0.0024272 k( 390) = ( 0.5000000 0.3097629 0.0660348), wk = 0.0024272 k( 391) = ( 0.5000000 0.3097629 0.0770406), wk = 0.0024272 k( 392) = ( 0.5000000 0.3097629 0.0880464), wk = 0.0024272 k( 393) = ( 0.5000000 0.3097629 0.0990523), wk = 0.0024272 k( 394) = ( 0.5000000 0.3097629 0.1100581), wk = 0.0024272 k( 395) = ( 0.5000000 0.3097629 0.1210639), wk = 0.0024272 k( 396) = ( 0.5000000 0.3097629 0.1320697), wk = 0.0024272 k( 397) = ( 0.5000000 0.3097629 0.1430755), wk = 0.0024272 k( 398) = ( 0.5000000 0.3097629 0.1540813), wk = 0.0024272 k( 399) = ( 0.5000000 0.3097629 0.1650871), wk = 0.0024272 k( 400) = ( 0.5000000 0.3097629 0.1760929), wk = 0.0024272 k( 401) = ( 0.5000000 0.3097629 0.1870987), wk = 0.0024272 k( 402) = ( 0.5000000 0.3097629 0.1981045), wk = 0.0024272 k( 403) = ( 0.5000000 0.3097629 0.2091103), wk = 0.0024272 k( 404) = ( 0.5000000 0.3097629 0.2201161), wk = 0.0024272 k( 405) = ( 0.5000000 0.3097629 0.2311219), wk = 0.0024272 k( 406) = ( 0.5000000 0.3097629 0.2421277), wk = 0.0024272 k( 407) = ( 0.5000000 0.3097629 0.2531335), wk = 0.0024272 k( 408) = ( 0.5000000 0.3097629 0.2641393), wk = 0.0024272 k( 409) = ( 0.5000000 0.3097629 0.2751451), wk = 0.0024272 k( 410) = ( 0.5000000 0.3097629 0.2861509), wk = 0.0024272 k( 411) = ( 0.5000000 0.3097629 0.2971568), wk = 0.0024272 k( 412) = ( 0.5000000 0.3097629 0.3081626), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0024272 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0024272 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0024272 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0024272 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0024272 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0024272 k( 10) = ( 0.1022727 -0.0000000 0.0000000), wk = 0.0024272 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0024272 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0024272 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0024272 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0024272 k( 15) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1704546 -0.0000000 0.0000000), wk = 0.0024272 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0024272 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0024272 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0024272 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0024272 k( 21) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0024272 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0024272 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0024272 k( 24) = ( 0.2613636 -0.0000000 0.0000000), wk = 0.0024272 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0024272 k( 26) = ( 0.2840909 -0.0000000 0.0000000), wk = 0.0024272 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0024272 k( 28) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0024272 k( 29) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0024272 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0024272 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0024272 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0024272 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0024272 k( 34) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0024272 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0024272 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0024272 k( 37) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0024272 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0024272 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0024272 k( 40) = ( 0.4431818 -0.0000000 0.0000000), wk = 0.0024272 k( 41) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0024272 k( 42) = ( 0.4659091 -0.0000000 0.0000000), wk = 0.0024272 k( 43) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0024272 k( 44) = ( 0.4886364 -0.0000000 0.0000000), wk = 0.0024272 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024272 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024272 k( 47) = ( 0.5000000 0.0178571 0.0000000), wk = 0.0024272 k( 48) = ( 0.5000000 0.0357143 -0.0000000), wk = 0.0024272 k( 49) = ( 0.5000000 0.0535714 0.0000000), wk = 0.0024272 k( 50) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0024272 k( 51) = ( 0.5000000 0.0892857 0.0000000), wk = 0.0024272 k( 52) = ( 0.5000000 0.1071429 0.0000000), wk = 0.0024272 k( 53) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0024272 k( 54) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0024272 k( 55) = ( 0.5000000 0.1607143 -0.0000000), wk = 0.0024272 k( 56) = ( 0.5000000 0.1785714 0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.1964286 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.2142857 -0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.2321429 -0.0000000), wk = 0.0024272 k( 60) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0024272 k( 61) = ( 0.5000000 0.2678571 0.0000000), wk = 0.0024272 k( 62) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0024272 k( 63) = ( 0.5000000 0.3035714 -0.0000000), wk = 0.0024272 k( 64) = ( 0.5000000 0.3214286 -0.0000000), wk = 0.0024272 k( 65) = ( 0.5000000 0.3392857 0.0000000), wk = 0.0024272 k( 66) = ( 0.5000000 0.3571429 0.0000000), wk = 0.0024272 k( 67) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0024272 k( 68) = ( 0.5000000 0.3928571 0.0000000), wk = 0.0024272 k( 69) = ( 0.5000000 0.4107143 0.0000000), wk = 0.0024272 k( 70) = ( 0.5000000 0.4285714 -0.0000000), wk = 0.0024272 k( 71) = ( 0.5000000 0.4464286 -0.0000000), wk = 0.0024272 k( 72) = ( 0.5000000 0.4642857 0.0000000), wk = 0.0024272 k( 73) = ( 0.5000000 0.4821429 -0.0000000), wk = 0.0024272 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024272 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024272 k( 76) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0024272 k( 77) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0024272 k( 78) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0024272 k( 79) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0024272 k( 80) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0024272 k( 81) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0024272 k( 82) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0024272 k( 83) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0024272 k( 84) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0024272 k( 85) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0024272 k( 93) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0024272 k( 94) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0024272 k( 95) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0024272 k( 96) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0024272 k( 97) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0024272 k( 98) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0024272 k( 99) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0024272 k( 102) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0024272 k( 103) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0024272 k( 104) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0024272 k( 105) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0024272 k( 106) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0024272 k( 107) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0024272 k( 108) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0024272 k( 109) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0024272 k( 110) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0024272 k( 111) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0024272 k( 112) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0024272 k( 113) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0024272 k( 114) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0024272 k( 115) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0024272 k( 116) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0024272 k( 117) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0024272 k( 118) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0024272 k( 119) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 120) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 121) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0024272 k( 122) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0024272 k( 123) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0024272 k( 124) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0024272 k( 125) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0024272 k( 126) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0024272 k( 127) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0024272 k( 128) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0024272 k( 129) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0024272 k( 130) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0024272 k( 131) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0024272 k( 132) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0024272 k( 133) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0024272 k( 134) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0024272 k( 135) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0024272 k( 136) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0024272 k( 137) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0024272 k( 138) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0024272 k( 139) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 150) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0024272 k( 151) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0024272 k( 152) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0024272 k( 153) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024272 k( 154) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 179) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0024272 k( 180) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0024272 k( 181) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0024272 k( 182) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0024272 k( 183) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0024272 k( 184) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0024272 k( 185) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0024272 k( 186) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0024272 k( 187) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0024272 k( 188) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0024272 k( 189) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0024272 k( 190) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0024272 k( 191) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0024272 k( 192) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0024272 k( 193) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0024272 k( 194) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0024272 k( 195) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0024272 k( 196) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0024272 k( 197) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0024272 k( 198) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0024272 k( 199) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0024272 k( 200) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024272 k( 201) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0024272 k( 202) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0024272 k( 203) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0024272 k( 204) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0024272 k( 205) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0024272 k( 206) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0024272 k( 207) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0024272 k( 208) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0024272 k( 209) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0024272 k( 210) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0024272 k( 211) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0024272 k( 212) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0024272 k( 213) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0024272 k( 214) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0024272 k( 215) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0024272 k( 216) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0024272 k( 217) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0024272 k( 218) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0024272 k( 219) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0024272 k( 220) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0024272 k( 221) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0024272 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 224) = ( 0.5000000 0.0178571 0.5000000), wk = 0.0024272 k( 225) = ( 0.5000000 0.0357143 0.5000000), wk = 0.0024272 k( 226) = ( 0.5000000 0.0535714 0.5000000), wk = 0.0024272 k( 227) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0024272 k( 228) = ( 0.5000000 0.0892857 0.5000000), wk = 0.0024272 k( 229) = ( 0.5000000 0.1071429 0.5000000), wk = 0.0024272 k( 230) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0024272 k( 231) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0024272 k( 232) = ( 0.5000000 0.1607143 0.5000000), wk = 0.0024272 k( 233) = ( 0.5000000 0.1785714 0.5000000), wk = 0.0024272 k( 234) = ( 0.5000000 0.1964286 0.5000000), wk = 0.0024272 k( 235) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0024272 k( 236) = ( 0.5000000 0.2321429 0.5000000), wk = 0.0024272 k( 237) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0024272 k( 238) = ( 0.5000000 0.2678571 0.5000000), wk = 0.0024272 k( 239) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0024272 k( 240) = ( 0.5000000 0.3035714 0.5000000), wk = 0.0024272 k( 241) = ( 0.5000000 0.3214286 0.5000000), wk = 0.0024272 k( 242) = ( 0.5000000 0.3392857 0.5000000), wk = 0.0024272 k( 243) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0024272 k( 244) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0024272 k( 245) = ( 0.5000000 0.3928571 0.5000000), wk = 0.0024272 k( 246) = ( 0.5000000 0.4107143 0.5000000), wk = 0.0024272 k( 247) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0024272 k( 248) = ( 0.5000000 0.4464286 0.5000000), wk = 0.0024272 k( 249) = ( 0.5000000 0.4642857 0.5000000), wk = 0.0024272 k( 250) = ( 0.5000000 0.4821429 0.5000000), wk = 0.0024272 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 253) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0024272 k( 254) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0024272 k( 255) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0024272 k( 256) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0024272 k( 257) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0024272 k( 258) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0024272 k( 259) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0024272 k( 260) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0024272 k( 261) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0024272 k( 262) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0024272 k( 263) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0024272 k( 264) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0024272 k( 265) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0024272 k( 266) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0024272 k( 267) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0024272 k( 268) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0024272 k( 269) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0024272 k( 270) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0024272 k( 271) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0024272 k( 272) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0024272 k( 273) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0024272 k( 274) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0024272 k( 275) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0024272 k( 276) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0024272 k( 277) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0024272 k( 278) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0024272 k( 279) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0024272 k( 280) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0024272 k( 281) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0024272 k( 282) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0024272 k( 283) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0024272 k( 284) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0024272 k( 285) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0024272 k( 286) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0024272 k( 287) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0024272 k( 288) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0024272 k( 289) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0024272 k( 290) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0024272 k( 291) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0024272 k( 292) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0024272 k( 293) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0024272 k( 294) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0024272 k( 295) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0024272 k( 296) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 297) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 298) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0024272 k( 299) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0024272 k( 300) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0024272 k( 301) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0024272 k( 302) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0024272 k( 303) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0024272 k( 304) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0024272 k( 305) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0024272 k( 306) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0024272 k( 307) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0024272 k( 308) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0024272 k( 309) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0024272 k( 310) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0024272 k( 311) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0024272 k( 312) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0024272 k( 313) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0024272 k( 314) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0024272 k( 315) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0024272 k( 316) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0024272 k( 317) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0024272 k( 318) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0024272 k( 319) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0024272 k( 320) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0024272 k( 321) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0024272 k( 322) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0024272 k( 323) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0024272 k( 324) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0024272 k( 325) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 326) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024272 k( 327) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0024272 k( 328) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0024272 k( 329) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0024272 k( 330) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024272 k( 331) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0024272 k( 332) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0024272 k( 333) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024272 k( 334) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024272 k( 335) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0024272 k( 336) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0024272 k( 337) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0024272 k( 338) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024272 k( 339) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0024272 k( 340) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024272 k( 341) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0024272 k( 342) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024272 k( 343) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0024272 k( 344) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0024272 k( 345) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0024272 k( 346) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024272 k( 347) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024272 k( 348) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0024272 k( 349) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0024272 k( 350) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024272 k( 351) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0024272 k( 352) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0024272 k( 353) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0024272 k( 354) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 355) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 356) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0024272 k( 357) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0024272 k( 358) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0024272 k( 359) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0024272 k( 360) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0024272 k( 361) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0024272 k( 362) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0024272 k( 363) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0024272 k( 364) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0024272 k( 365) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0024272 k( 366) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0024272 k( 367) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0024272 k( 368) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0024272 k( 369) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0024272 k( 370) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0024272 k( 371) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0024272 k( 372) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0024272 k( 373) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0024272 k( 374) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0024272 k( 375) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0024272 k( 376) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0024272 k( 377) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0024272 k( 378) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0024272 k( 379) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0024272 k( 380) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0024272 k( 381) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0024272 k( 382) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0024272 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024272 k( 384) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024272 k( 385) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0024272 k( 386) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0024272 k( 387) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0024272 k( 388) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0024272 k( 389) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0024272 k( 390) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0024272 k( 391) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0024272 k( 392) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0024272 k( 393) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0024272 k( 394) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0024272 k( 395) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0024272 k( 396) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0024272 k( 397) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0024272 k( 398) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024272 k( 399) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0024272 k( 400) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0024272 k( 401) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0024272 k( 402) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0024272 k( 403) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0024272 k( 404) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0024272 k( 405) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0024272 k( 406) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0024272 k( 407) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0024272 k( 408) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0024272 k( 409) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0024272 k( 410) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0024272 k( 411) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0024272 k( 412) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 Dense grid: 80907 G-vectors FFT dimensions: ( 40, 64, 64) Smooth grid: 35193 G-vectors FFT dimensions: ( 30, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 250, 62) NL pseudopotentials 0.29 Mb ( 125, 152) Each V/rho on FFT grid 0.08 Mb ( 5120) Each G-vector array 0.02 Mb ( 2248) G-vector shells 0.01 Mb ( 1127) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 250, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.29 Mb ( 152, 2, 62) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./AgCNO.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.0 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 secs Computing kpt #: 15 total cpu time spent up to now is 12.2 secs Computing kpt #: 16 total cpu time spent up to now is 12.7 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.3 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 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.4 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.4 secs Computing kpt #: 30 total cpu time spent up to now is 19.9 secs Computing kpt #: 31 total cpu time spent up to now is 20.4 secs Computing kpt #: 32 total cpu time spent up to now is 20.9 secs Computing kpt #: 33 total cpu time spent up to now is 21.4 secs Computing kpt #: 34 total cpu time spent up to now is 21.9 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.5 secs Computing kpt #: 40 total cpu time spent up to now is 25.1 secs Computing kpt #: 41 total cpu time spent up to now is 25.7 secs Computing kpt #: 42 total cpu time spent up to now is 26.3 secs Computing kpt #: 43 total cpu time spent up to now is 26.9 secs Computing kpt #: 44 total cpu time spent up to now is 27.6 secs Computing kpt #: 45 total cpu time spent up to now is 28.1 secs Computing kpt #: 46 total cpu time spent up to now is 28.6 secs Computing kpt #: 47 total cpu time spent up to now is 29.3 secs Computing kpt #: 48 total cpu time spent up to now is 30.3 secs Computing kpt #: 49 total cpu time spent up to now is 31.5 secs Computing kpt #: 50 total cpu time spent up to now is 32.3 secs Computing kpt #: 51 total cpu time spent up to now is 33.0 secs Computing kpt #: 52 total cpu time spent up to now is 33.7 secs Computing kpt #: 53 total cpu time spent up to now is 34.3 secs Computing kpt #: 54 total cpu time spent up to now is 35.0 secs Computing kpt #: 55 total cpu time spent up to now is 35.7 secs Computing kpt #: 56 total cpu time spent up to now is 36.3 secs Computing kpt #: 57 total cpu time spent up to now is 37.0 secs Computing kpt #: 58 total cpu time spent up to now is 37.6 secs Computing kpt #: 59 total cpu time spent up to now is 38.9 secs Computing kpt #: 60 total cpu time spent up to now is 39.6 secs Computing kpt #: 61 total cpu time spent up to now is 40.2 secs Computing kpt #: 62 total cpu time spent up to now is 40.9 secs Computing kpt #: 63 total cpu time spent up to now is 41.5 secs Computing kpt #: 64 total cpu time spent up to now is 42.2 secs Computing kpt #: 65 total cpu time spent up to now is 42.8 secs Computing kpt #: 66 total cpu time spent up to now is 43.5 secs Computing kpt #: 67 total cpu time spent up to now is 44.1 secs Computing kpt #: 68 total cpu time spent up to now is 44.8 secs Computing kpt #: 69 total cpu time spent up to now is 45.4 secs Computing kpt #: 70 total cpu time spent up to now is 46.1 secs Computing kpt #: 71 total cpu time spent up to now is 46.7 secs Computing kpt #: 72 total cpu time spent up to now is 47.4 secs Computing kpt #: 73 total cpu time spent up to now is 48.0 secs Computing kpt #: 74 total cpu time spent up to now is 48.7 secs Computing kpt #: 75 total cpu time spent up to now is 49.4 secs Computing kpt #: 76 total cpu time spent up to now is 50.1 secs Computing kpt #: 77 total cpu time spent up to now is 50.8 secs Computing kpt #: 78 total cpu time spent up to now is 51.4 secs Computing kpt #: 79 total cpu time spent up to now is 52.1 secs Computing kpt #: 80 total cpu time spent up to now is 52.7 secs Computing kpt #: 81 total cpu time spent up to now is 53.4 secs Computing kpt #: 82 total cpu time spent up to now is 54.1 secs Computing kpt #: 83 total cpu time spent up to now is 54.8 secs Computing kpt #: 84 total cpu time spent up to now is 55.5 secs Computing kpt #: 85 total cpu time spent up to now is 56.2 secs Computing kpt #: 86 total cpu time spent up to now is 56.9 secs Computing kpt #: 87 total cpu time spent up to now is 57.6 secs Computing kpt #: 88 total cpu time spent up to now is 58.2 secs Computing kpt #: 89 total cpu time spent up to now is 58.9 secs Computing kpt #: 90 total cpu time spent up to now is 59.6 secs Computing kpt #: 91 total cpu time spent up to now is 60.3 secs Computing kpt #: 92 total cpu time spent up to now is 61.0 secs Computing kpt #: 93 total cpu time spent up to now is 61.7 secs Computing kpt #: 94 total cpu time spent up to now is 62.3 secs Computing kpt #: 95 total cpu time spent up to now is 63.0 secs Computing kpt #: 96 total cpu time spent up to now is 63.7 secs Computing kpt #: 97 total cpu time spent up to now is 64.4 secs Computing kpt #: 98 total cpu time spent up to now is 65.1 secs Computing kpt #: 99 total cpu time spent up to now is 65.8 secs Computing kpt #: 100 total cpu time spent up to now is 66.5 secs Computing kpt #: 101 total cpu time spent up to now is 67.2 secs Computing kpt #: 102 total cpu time spent up to now is 67.9 secs Computing kpt #: 103 total cpu time spent up to now is 68.6 secs Computing kpt #: 104 total cpu time spent up to now is 69.3 secs Computing kpt #: 105 total cpu time spent up to now is 70.0 secs Computing kpt #: 106 total cpu time spent up to now is 70.7 secs Computing kpt #: 107 total cpu time spent up to now is 71.4 secs Computing kpt #: 108 total cpu time spent up to now is 72.1 secs Computing kpt #: 109 total cpu time spent up to now is 76.1 secs Computing kpt #: 110 total cpu time spent up to now is 76.8 secs Computing kpt #: 111 total cpu time spent up to now is 77.5 secs Computing kpt #: 112 total cpu time spent up to now is 78.1 secs Computing kpt #: 113 total cpu time spent up to now is 78.7 secs Computing kpt #: 114 total cpu time spent up to now is 79.4 secs Computing kpt #: 115 total cpu time spent up to now is 80.0 secs Computing kpt #: 116 total cpu time spent up to now is 80.6 secs Computing kpt #: 117 total cpu time spent up to now is 81.3 secs Computing kpt #: 118 total cpu time spent up to now is 81.9 secs Computing kpt #: 119 total cpu time spent up to now is 82.6 secs Computing kpt #: 120 total cpu time spent up to now is 83.3 secs Computing kpt #: 121 total cpu time spent up to now is 83.9 secs Computing kpt #: 122 total cpu time spent up to now is 84.5 secs Computing kpt #: 123 total cpu time spent up to now is 85.2 secs Computing kpt #: 124 total cpu time spent up to now is 85.8 secs Computing kpt #: 125 total cpu time spent up to now is 86.4 secs Computing kpt #: 126 total cpu time spent up to now is 87.0 secs Computing kpt #: 127 total cpu time spent up to now is 87.6 secs Computing kpt #: 128 total cpu time spent up to now is 88.1 secs Computing kpt #: 129 total cpu time spent up to now is 88.7 secs Computing kpt #: 130 total cpu time spent up to now is 89.3 secs Computing kpt #: 131 total cpu time spent up to now is 89.9 secs Computing kpt #: 132 total cpu time spent up to now is 90.5 secs Computing kpt #: 133 total cpu time spent up to now is 91.1 secs Computing kpt #: 134 total cpu time spent up to now is 91.6 secs Computing kpt #: 135 total cpu time spent up to now is 92.2 secs Computing kpt #: 136 total cpu time spent up to now is 92.9 secs Computing kpt #: 137 total cpu time spent up to now is 93.5 secs Computing kpt #: 138 total cpu time spent up to now is 94.2 secs Computing kpt #: 139 total cpu time spent up to now is 94.9 secs Computing kpt #: 140 total cpu time spent up to now is 95.5 secs Computing kpt #: 141 total cpu time spent up to now is 96.1 secs Computing kpt #: 142 total cpu time spent up to now is 96.7 secs Computing kpt #: 143 total cpu time spent up to now is 97.3 secs Computing kpt #: 144 total cpu time spent up to now is 97.9 secs Computing kpt #: 145 total cpu time spent up to now is 98.5 secs Computing kpt #: 146 total cpu time spent up to now is 99.0 secs Computing kpt #: 147 total cpu time spent up to now is 99.6 secs Computing kpt #: 148 total cpu time spent up to now is 100.3 secs Computing kpt #: 149 total cpu time spent up to now is 100.8 secs Computing kpt #: 150 total cpu time spent up to now is 101.4 secs Computing kpt #: 151 total cpu time spent up to now is 102.0 secs Computing kpt #: 152 total cpu time spent up to now is 102.6 secs Computing kpt #: 153 total cpu time spent up to now is 103.2 secs Computing kpt #: 154 total cpu time spent up to now is 103.8 secs Computing kpt #: 155 total cpu time spent up to now is 104.4 secs Computing kpt #: 156 total cpu time spent up to now is 105.1 secs Computing kpt #: 157 total cpu time spent up to now is 105.8 secs Computing kpt #: 158 total cpu time spent up to now is 106.4 secs Computing kpt #: 159 total cpu time spent up to now is 107.1 secs Computing kpt #: 160 total cpu time spent up to now is 107.8 secs Computing kpt #: 161 total cpu time spent up to now is 108.5 secs Computing kpt #: 162 total cpu time spent up to now is 109.2 secs Computing kpt #: 163 total cpu time spent up to now is 109.7 secs Computing kpt #: 164 total cpu time spent up to now is 110.4 secs Computing kpt #: 165 total cpu time spent up to now is 110.9 secs Computing kpt #: 166 total cpu time spent up to now is 111.5 secs Computing kpt #: 167 total cpu time spent up to now is 112.1 secs Computing kpt #: 168 total cpu time spent up to now is 112.7 secs Computing kpt #: 169 total cpu time spent up to now is 113.3 secs Computing kpt #: 170 total cpu time spent up to now is 113.9 secs Computing kpt #: 171 total cpu time spent up to now is 114.5 secs Computing kpt #: 172 total cpu time spent up to now is 115.2 secs Computing kpt #: 173 total cpu time spent up to now is 115.8 secs Computing kpt #: 174 total cpu time spent up to now is 116.4 secs Computing kpt #: 175 total cpu time spent up to now is 117.0 secs Computing kpt #: 176 total cpu time spent up to now is 117.5 secs Computing kpt #: 177 total cpu time spent up to now is 118.0 secs Computing kpt #: 178 total cpu time spent up to now is 118.6 secs Computing kpt #: 179 total cpu time spent up to now is 119.2 secs Computing kpt #: 180 total cpu time spent up to now is 119.9 secs Computing kpt #: 181 total cpu time spent up to now is 120.5 secs Computing kpt #: 182 total cpu time spent up to now is 121.0 secs Computing kpt #: 183 total cpu time spent up to now is 121.6 secs Computing kpt #: 184 total cpu time spent up to now is 122.2 secs Computing kpt #: 185 total cpu time spent up to now is 122.7 secs Computing kpt #: 186 total cpu time spent up to now is 123.3 secs Computing kpt #: 187 total cpu time spent up to now is 124.0 secs Computing kpt #: 188 total cpu time spent up to now is 124.6 secs Computing kpt #: 189 total cpu time spent up to now is 125.2 secs Computing kpt #: 190 total cpu time spent up to now is 125.8 secs Computing kpt #: 191 total cpu time spent up to now is 126.4 secs Computing kpt #: 192 total cpu time spent up to now is 127.0 secs Computing kpt #: 193 total cpu time spent up to now is 127.6 secs Computing kpt #: 194 total cpu time spent up to now is 128.2 secs Computing kpt #: 195 total cpu time spent up to now is 128.8 secs Computing kpt #: 196 total cpu time spent up to now is 129.5 secs Computing kpt #: 197 total cpu time spent up to now is 130.2 secs Computing kpt #: 198 total cpu time spent up to now is 130.8 secs Computing kpt #: 199 total cpu time spent up to now is 131.4 secs Computing kpt #: 200 total cpu time spent up to now is 132.0 secs Computing kpt #: 201 total cpu time spent up to now is 132.6 secs Computing kpt #: 202 total cpu time spent up to now is 133.2 secs Computing kpt #: 203 total cpu time spent up to now is 133.8 secs Computing kpt #: 204 total cpu time spent up to now is 134.4 secs Computing kpt #: 205 total cpu time spent up to now is 135.0 secs Computing kpt #: 206 total cpu time spent up to now is 135.7 secs Computing kpt #: 207 total cpu time spent up to now is 136.4 secs Computing kpt #: 208 total cpu time spent up to now is 137.1 secs Computing kpt #: 209 total cpu time spent up to now is 137.8 secs Computing kpt #: 210 total cpu time spent up to now is 138.4 secs Computing kpt #: 211 total cpu time spent up to now is 139.1 secs Computing kpt #: 212 total cpu time spent up to now is 139.8 secs Computing kpt #: 213 total cpu time spent up to now is 140.5 secs Computing kpt #: 214 total cpu time spent up to now is 141.1 secs Computing kpt #: 215 total cpu time spent up to now is 141.7 secs Computing kpt #: 216 total cpu time spent up to now is 142.3 secs Computing kpt #: 217 total cpu time spent up to now is 142.9 secs Computing kpt #: 218 total cpu time spent up to now is 143.4 secs Computing kpt #: 219 total cpu time spent up to now is 144.1 secs Computing kpt #: 220 total cpu time spent up to now is 144.7 secs Computing kpt #: 221 total cpu time spent up to now is 145.4 secs Computing kpt #: 222 total cpu time spent up to now is 145.9 secs Computing kpt #: 223 total cpu time spent up to now is 146.5 secs Computing kpt #: 224 total cpu time spent up to now is 147.1 secs Computing kpt #: 225 total cpu time spent up to now is 147.8 secs Computing kpt #: 226 total cpu time spent up to now is 148.5 secs Computing kpt #: 227 total cpu time spent up to now is 149.1 secs Computing kpt #: 228 total cpu time spent up to now is 149.8 secs Computing kpt #: 229 total cpu time spent up to now is 150.5 secs Computing kpt #: 230 total cpu time spent up to now is 151.2 secs Computing kpt #: 231 total cpu time spent up to now is 151.8 secs Computing kpt #: 232 total cpu time spent up to now is 152.5 secs Computing kpt #: 233 total cpu time spent up to now is 153.2 secs Computing kpt #: 234 total cpu time spent up to now is 153.9 secs Computing kpt #: 235 total cpu time spent up to now is 154.5 secs Computing kpt #: 236 total cpu time spent up to now is 155.2 secs Computing kpt #: 237 total cpu time spent up to now is 155.9 secs Computing kpt #: 238 total cpu time spent up to now is 156.6 secs Computing kpt #: 239 total cpu time spent up to now is 157.2 secs Computing kpt #: 240 total cpu time spent up to now is 157.9 secs Computing kpt #: 241 total cpu time spent up to now is 158.6 secs Computing kpt #: 242 total cpu time spent up to now is 159.2 secs Computing kpt #: 243 total cpu time spent up to now is 159.9 secs Computing kpt #: 244 total cpu time spent up to now is 160.5 secs Computing kpt #: 245 total cpu time spent up to now is 161.2 secs Computing kpt #: 246 total cpu time spent up to now is 161.9 secs Computing kpt #: 247 total cpu time spent up to now is 162.6 secs Computing kpt #: 248 total cpu time spent up to now is 163.3 secs Computing kpt #: 249 total cpu time spent up to now is 164.0 secs Computing kpt #: 250 total cpu time spent up to now is 164.6 secs Computing kpt #: 251 total cpu time spent up to now is 165.2 secs Computing kpt #: 252 total cpu time spent up to now is 165.9 secs Computing kpt #: 253 total cpu time spent up to now is 166.6 secs Computing kpt #: 254 total cpu time spent up to now is 167.2 secs Computing kpt #: 255 total cpu time spent up to now is 167.9 secs Computing kpt #: 256 total cpu time spent up to now is 168.5 secs Computing kpt #: 257 total cpu time spent up to now is 169.2 secs Computing kpt #: 258 total cpu time spent up to now is 169.9 secs Computing kpt #: 259 total cpu time spent up to now is 170.6 secs Computing kpt #: 260 total cpu time spent up to now is 171.3 secs Computing kpt #: 261 total cpu time spent up to now is 172.0 secs Computing kpt #: 262 total cpu time spent up to now is 172.7 secs Computing kpt #: 263 total cpu time spent up to now is 173.3 secs Computing kpt #: 264 total cpu time spent up to now is 174.0 secs Computing kpt #: 265 total cpu time spent up to now is 174.7 secs Computing kpt #: 266 total cpu time spent up to now is 175.3 secs Computing kpt #: 267 total cpu time spent up to now is 176.0 secs Computing kpt #: 268 total cpu time spent up to now is 176.7 secs Computing kpt #: 269 total cpu time spent up to now is 177.4 secs Computing kpt #: 270 total cpu time spent up to now is 178.1 secs Computing kpt #: 271 total cpu time spent up to now is 178.8 secs Computing kpt #: 272 total cpu time spent up to now is 179.4 secs Computing kpt #: 273 total cpu time spent up to now is 180.1 secs Computing kpt #: 274 total cpu time spent up to now is 180.8 secs Computing kpt #: 275 total cpu time spent up to now is 181.5 secs Computing kpt #: 276 total cpu time spent up to now is 182.1 secs Computing kpt #: 277 total cpu time spent up to now is 182.8 secs Computing kpt #: 278 total cpu time spent up to now is 183.4 secs Computing kpt #: 279 total cpu time spent up to now is 184.1 secs Computing kpt #: 280 total cpu time spent up to now is 184.8 secs Computing kpt #: 281 total cpu time spent up to now is 185.5 secs Computing kpt #: 282 total cpu time spent up to now is 186.1 secs Computing kpt #: 283 total cpu time spent up to now is 186.8 secs Computing kpt #: 284 total cpu time spent up to now is 187.5 secs Computing kpt #: 285 total cpu time spent up to now is 188.1 secs Computing kpt #: 286 total cpu time spent up to now is 188.8 secs Computing kpt #: 287 total cpu time spent up to now is 189.5 secs Computing kpt #: 288 total cpu time spent up to now is 190.1 secs Computing kpt #: 289 total cpu time spent up to now is 190.7 secs Computing kpt #: 290 total cpu time spent up to now is 191.2 secs Computing kpt #: 291 total cpu time spent up to now is 191.9 secs Computing kpt #: 292 total cpu time spent up to now is 192.5 secs Computing kpt #: 293 total cpu time spent up to now is 193.2 secs Computing kpt #: 294 total cpu time spent up to now is 193.9 secs Computing kpt #: 295 total cpu time spent up to now is 194.4 secs Computing kpt #: 296 total cpu time spent up to now is 194.9 secs Computing kpt #: 297 total cpu time spent up to now is 195.4 secs Computing kpt #: 298 total cpu time spent up to now is 196.0 secs Computing kpt #: 299 total cpu time spent up to now is 196.7 secs Computing kpt #: 300 total cpu time spent up to now is 197.2 secs Computing kpt #: 301 total cpu time spent up to now is 197.9 secs Computing kpt #: 302 total cpu time spent up to now is 198.5 secs Computing kpt #: 303 total cpu time spent up to now is 199.1 secs Computing kpt #: 304 total cpu time spent up to now is 199.7 secs Computing kpt #: 305 total cpu time spent up to now is 200.3 secs Computing kpt #: 306 total cpu time spent up to now is 200.8 secs Computing kpt #: 307 total cpu time spent up to now is 201.4 secs Computing kpt #: 308 total cpu time spent up to now is 202.1 secs Computing kpt #: 309 total cpu time spent up to now is 202.7 secs Computing kpt #: 310 total cpu time spent up to now is 203.2 secs Computing kpt #: 311 total cpu time spent up to now is 203.9 secs Computing kpt #: 312 total cpu time spent up to now is 204.6 secs Computing kpt #: 313 total cpu time spent up to now is 205.2 secs Computing kpt #: 314 total cpu time spent up to now is 205.9 secs Computing kpt #: 315 total cpu time spent up to now is 206.5 secs Computing kpt #: 316 total cpu time spent up to now is 207.1 secs Computing kpt #: 317 total cpu time spent up to now is 207.7 secs Computing kpt #: 318 total cpu time spent up to now is 208.2 secs Computing kpt #: 319 total cpu time spent up to now is 208.8 secs Computing kpt #: 320 total cpu time spent up to now is 209.3 secs Computing kpt #: 321 total cpu time spent up to now is 209.9 secs Computing kpt #: 322 total cpu time spent up to now is 210.5 secs Computing kpt #: 323 total cpu time spent up to now is 211.0 secs Computing kpt #: 324 total cpu time spent up to now is 211.5 secs Computing kpt #: 325 total cpu time spent up to now is 212.1 secs Computing kpt #: 326 total cpu time spent up to now is 212.7 secs Computing kpt #: 327 total cpu time spent up to now is 213.4 secs Computing kpt #: 328 total cpu time spent up to now is 214.1 secs Computing kpt #: 329 total cpu time spent up to now is 214.8 secs Computing kpt #: 330 total cpu time spent up to now is 215.5 secs Computing kpt #: 331 total cpu time spent up to now is 216.1 secs Computing kpt #: 332 total cpu time spent up to now is 216.8 secs Computing kpt #: 333 total cpu time spent up to now is 217.4 secs Computing kpt #: 334 total cpu time spent up to now is 217.9 secs Computing kpt #: 335 total cpu time spent up to now is 218.5 secs Computing kpt #: 336 total cpu time spent up to now is 219.1 secs Computing kpt #: 337 total cpu time spent up to now is 219.6 secs Computing kpt #: 338 total cpu time spent up to now is 220.2 secs Computing kpt #: 339 total cpu time spent up to now is 220.8 secs Computing kpt #: 340 total cpu time spent up to now is 221.4 secs Computing kpt #: 341 total cpu time spent up to now is 221.9 secs Computing kpt #: 342 total cpu time spent up to now is 222.4 secs Computing kpt #: 343 total cpu time spent up to now is 223.0 secs Computing kpt #: 344 total cpu time spent up to now is 223.6 secs Computing kpt #: 345 total cpu time spent up to now is 224.1 secs Computing kpt #: 346 total cpu time spent up to now is 224.6 secs Computing kpt #: 347 total cpu time spent up to now is 225.2 secs Computing kpt #: 348 total cpu time spent up to now is 225.7 secs Computing kpt #: 349 total cpu time spent up to now is 226.2 secs Computing kpt #: 350 total cpu time spent up to now is 226.7 secs Computing kpt #: 351 total cpu time spent up to now is 227.3 secs Computing kpt #: 352 total cpu time spent up to now is 227.8 secs Computing kpt #: 353 total cpu time spent up to now is 228.3 secs Computing kpt #: 354 total cpu time spent up to now is 228.8 secs Computing kpt #: 355 total cpu time spent up to now is 229.3 secs Computing kpt #: 356 total cpu time spent up to now is 229.9 secs Computing kpt #: 357 total cpu time spent up to now is 230.4 secs Computing kpt #: 358 total cpu time spent up to now is 231.0 secs Computing kpt #: 359 total cpu time spent up to now is 231.6 secs Computing kpt #: 360 total cpu time spent up to now is 232.4 secs Computing kpt #: 361 total cpu time spent up to now is 233.1 secs Computing kpt #: 362 total cpu time spent up to now is 233.7 secs Computing kpt #: 363 total cpu time spent up to now is 234.3 secs Computing kpt #: 364 total cpu time spent up to now is 234.9 secs Computing kpt #: 365 total cpu time spent up to now is 235.4 secs Computing kpt #: 366 total cpu time spent up to now is 236.0 secs Computing kpt #: 367 total cpu time spent up to now is 236.5 secs Computing kpt #: 368 total cpu time spent up to now is 237.0 secs Computing kpt #: 369 total cpu time spent up to now is 237.6 secs Computing kpt #: 370 total cpu time spent up to now is 238.1 secs Computing kpt #: 371 total cpu time spent up to now is 238.6 secs Computing kpt #: 372 total cpu time spent up to now is 239.1 secs Computing kpt #: 373 total cpu time spent up to now is 239.6 secs Computing kpt #: 374 total cpu time spent up to now is 240.1 secs Computing kpt #: 375 total cpu time spent up to now is 240.7 secs Computing kpt #: 376 total cpu time spent up to now is 241.2 secs Computing kpt #: 377 total cpu time spent up to now is 241.7 secs Computing kpt #: 378 total cpu time spent up to now is 242.3 secs Computing kpt #: 379 total cpu time spent up to now is 242.8 secs Computing kpt #: 380 total cpu time spent up to now is 243.3 secs Computing kpt #: 381 total cpu time spent up to now is 243.8 secs Computing kpt #: 382 total cpu time spent up to now is 244.4 secs Computing kpt #: 383 total cpu time spent up to now is 244.9 secs Computing kpt #: 384 total cpu time spent up to now is 245.6 secs Computing kpt #: 385 total cpu time spent up to now is 246.3 secs Computing kpt #: 386 total cpu time spent up to now is 247.0 secs Computing kpt #: 387 total cpu time spent up to now is 247.7 secs Computing kpt #: 388 total cpu time spent up to now is 248.5 secs Computing kpt #: 389 total cpu time spent up to now is 249.2 secs Computing kpt #: 390 total cpu time spent up to now is 249.9 secs Computing kpt #: 391 total cpu time spent up to now is 250.6 secs Computing kpt #: 392 total cpu time spent up to now is 251.2 secs Computing kpt #: 393 total cpu time spent up to now is 251.9 secs Computing kpt #: 394 total cpu time spent up to now is 252.5 secs Computing kpt #: 395 total cpu time spent up to now is 253.2 secs Computing kpt #: 396 total cpu time spent up to now is 253.8 secs Computing kpt #: 397 total cpu time spent up to now is 254.5 secs Computing kpt #: 398 total cpu time spent up to now is 255.1 secs Computing kpt #: 399 total cpu time spent up to now is 255.7 secs Computing kpt #: 400 total cpu time spent up to now is 256.3 secs Computing kpt #: 401 total cpu time spent up to now is 256.8 secs Computing kpt #: 402 total cpu time spent up to now is 257.4 secs Computing kpt #: 403 total cpu time spent up to now is 257.9 secs Computing kpt #: 404 total cpu time spent up to now is 258.5 secs Computing kpt #: 405 total cpu time spent up to now is 259.1 secs Computing kpt #: 406 total cpu time spent up to now is 259.7 secs Computing kpt #: 407 total cpu time spent up to now is 260.4 secs Computing kpt #: 408 total cpu time spent up to now is 261.0 secs Computing kpt #: 409 total cpu time spent up to now is 261.7 secs Computing kpt #: 410 total cpu time spent up to now is 262.3 secs Computing kpt #: 411 total cpu time spent up to now is 263.0 secs Computing kpt #: 412 total cpu time spent up to now is 263.6 secs ethr = 1.92E-08, avg # of iterations = 20.5 total cpu time spent up to now is 263.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4403 PWs) bands (ev): -20.8729 -20.8729 -20.8429 -20.8429 -12.6442 -12.6442 -12.4918 -12.4918 -6.0212 -6.0212 -5.8502 -5.8502 -3.2429 -3.2429 -3.2274 -3.2274 -3.1381 -3.1381 -2.6363 -2.6363 0.6946 0.6946 0.7605 0.7605 1.0826 1.0826 1.1033 1.1033 1.1770 1.1770 1.3086 1.3086 1.5205 1.5205 1.8707 1.8707 1.9788 1.9788 2.2013 2.2013 2.2196 2.2196 2.5949 2.5949 2.7839 2.7839 3.6952 3.6952 4.5633 4.5633 4.6961 4.6961 6.4518 6.4518 7.3215 7.3215 9.3910 9.3910 9.4744 9.4744 9.9479 9.9479 k = 0.0114-0.0000-0.0000 ( 4397 PWs) bands (ev): -20.8729 -20.8729 -20.8429 -20.8429 -12.6441 -12.6441 -12.4918 -12.4918 -6.0208 -6.0208 -5.8499 -5.8499 -3.2427 -3.2427 -3.2279 -3.2279 -3.1389 -3.1389 -2.6364 -2.6364 0.6949 0.6949 0.7601 0.7601 1.0750 1.0750 1.1113 1.1113 1.1772 1.1772 1.3086 1.3086 1.5205 1.5205 1.8713 1.8713 1.9786 1.9786 2.2021 2.2021 2.2188 2.2188 2.5935 2.5935 2.7862 2.7862 3.6951 3.6951 4.5620 4.5620 4.6942 4.6942 6.4521 6.4521 7.3229 7.3229 9.3915 9.3915 9.4668 9.4668 9.9527 9.9527 k = 0.0227-0.0000-0.0000 ( 4399 PWs) bands (ev): -20.8727 -20.8727 -20.8428 -20.8428 -12.6437 -12.6437 -12.4917 -12.4917 -6.0196 -6.0196 -5.8490 -5.8490 -3.2420 -3.2420 -3.2296 -3.2296 -3.1411 -3.1411 -2.6367 -2.6367 0.6960 0.6960 0.7590 0.7590 1.0623 1.0623 1.1249 1.1249 1.1778 1.1778 1.3087 1.3087 1.5204 1.5204 1.8731 1.8731 1.9781 1.9781 2.2038 2.2038 2.2170 2.2170 2.5893 2.5893 2.7926 2.7926 3.6946 3.6946 4.5579 4.5579 4.6886 4.6886 6.4529 6.4529 7.3271 7.3271 9.3929 9.3929 9.4449 9.4449 9.9664 9.9664 k = 0.0341-0.0000-0.0000 ( 4397 PWs) bands (ev): -20.8724 -20.8724 -20.8426 -20.8426 -12.6432 -12.6432 -12.4916 -12.4916 -6.0176 -6.0176 -5.8475 -5.8475 -3.2410 -3.2410 -3.2322 -3.2322 -3.1447 -3.1447 -2.6372 -2.6372 0.6975 0.6975 0.7572 0.7572 1.0494 1.0494 1.1395 1.1395 1.1788 1.1788 1.3089 1.3089 1.5203 1.5203 1.8759 1.8759 1.9773 1.9773 2.2043 2.2043 2.2165 2.2165 2.5828 2.5828 2.8028 2.8028 3.6938 3.6938 4.5512 4.5512 4.6794 4.6794 6.4543 6.4543 7.3341 7.3341 9.3948 9.3948 9.4109 9.4109 9.9874 9.9874 k = 0.0455-0.0000-0.0000 ( 4395 PWs) bands (ev): -20.8721 -20.8721 -20.8424 -20.8424 -12.6424 -12.6424 -12.4915 -12.4915 -6.0148 -6.0148 -5.8455 -5.8455 -3.2405 -3.2405 -3.2349 -3.2349 -3.1498 -3.1498 -2.6379 -2.6379 0.6992 0.6992 0.7550 0.7550 1.0374 1.0374 1.1542 1.1542 1.1802 1.1802 1.3092 1.3092 1.5202 1.5202 1.8797 1.8797 1.9762 1.9762 2.2006 2.2006 2.2207 2.2207 2.5748 2.5748 2.8157 2.8157 3.6927 3.6927 4.5419 4.5419 4.6666 4.6666 6.4561 6.4561 7.3439 7.3439 9.3643 9.3643 9.3995 9.3995 10.0103 10.0103 k = 0.0568-0.0000-0.0000 ( 4401 PWs) bands (ev): -20.8717 -20.8717 -20.8421 -20.8421 -12.6414 -12.6414 -12.4913 -12.4913 -6.0113 -6.0113 -5.8429 -5.8429 -3.2433 -3.2433 -3.2349 -3.2349 -3.1563 -3.1563 -2.6388 -2.6388 0.7003 0.7003 0.7527 0.7527 1.0266 1.0266 1.1689 1.1689 1.1820 1.1820 1.3097 1.3097 1.5202 1.5202 1.8840 1.8840 1.9749 1.9749 2.1940 2.1940 2.2281 2.2281 2.5657 2.5657 2.8308 2.8308 3.6913 3.6913 4.5300 4.5300 4.6504 4.6504 6.4581 6.4581 7.3564 7.3564 9.3104 9.3104 9.4037 9.4037 10.0058 10.0058 k = 0.0682-0.0000-0.0000 ( 4403 PWs) bands (ev): -20.8711 -20.8711 -20.8418 -20.8418 -12.6401 -12.6401 -12.4911 -12.4911 -6.0070 -6.0070 -5.8397 -5.8397 -3.2490 -3.2490 -3.2326 -3.2326 -3.1641 -3.1641 -2.6399 -2.6399 0.7002 0.7002 0.7509 0.7509 1.0175 1.0175 1.1831 1.1831 1.1846 1.1846 1.3104 1.3104 1.5204 1.5204 1.8884 1.8884 1.9734 1.9734 2.1861 2.1861 2.2376 2.2376 2.5559 2.5559 2.8475 2.8475 3.6896 3.6896 4.5156 4.5156 4.6309 4.6309 6.4602 6.4602 7.3718 7.3718 9.2490 9.2490 9.4090 9.4090 9.9941 9.9941 k = 0.0795-0.0000-0.0000 ( 4411 PWs) bands (ev): -20.8705 -20.8705 -20.8414 -20.8414 -12.6387 -12.6387 -12.4908 -12.4908 -6.0020 -6.0020 -5.8361 -5.8361 -3.2561 -3.2561 -3.2294 -3.2294 -3.1731 -3.1731 -2.6412 -2.6412 0.6979 0.6979 0.7500 0.7500 1.0106 1.0106 1.1866 1.1866 1.1981 1.1981 1.3114 1.3114 1.5208 1.5208 1.8923 1.8923 1.9721 1.9721 2.1779 2.1779 2.2486 2.2486 2.5456 2.5456 2.8652 2.8652 3.6875 3.6875 4.4987 4.4987 4.6084 4.6084 6.4622 6.4622 7.3899 7.3899 9.1813 9.1813 9.4152 9.4152 9.9809 9.9809 k = 0.0909-0.0000-0.0000 ( 4413 PWs) bands (ev): -20.8697 -20.8697 -20.8410 -20.8410 -12.6370 -12.6370 -12.4905 -12.4905 -5.9962 -5.9962 -5.8319 -5.8319 -3.2644 -3.2644 -3.2257 -3.2257 -3.1834 -3.1834 -2.6427 -2.6427 0.6932 0.6932 0.7501 0.7501 1.0060 1.0060 1.1895 1.1895 1.2126 1.2126 1.3127 1.3127 1.5215 1.5215 1.8949 1.8949 1.9717 1.9717 2.1699 2.1699 2.2610 2.2610 2.5350 2.5350 2.8836 2.8836 3.6851 3.6851 4.4795 4.4795 4.5831 4.5831 6.4639 6.4639 7.4108 7.4108 9.1082 9.1082 9.4223 9.4223 9.9666 9.9666 k = 0.1023-0.0000-0.0000 ( 4417 PWs) bands (ev): -20.8689 -20.8689 -20.8405 -20.8405 -12.6351 -12.6351 -12.4902 -12.4902 -5.9898 -5.9898 -5.8272 -5.8272 -3.2736 -3.2736 -3.2214 -3.2214 -3.1949 -3.1949 -2.6444 -2.6444 0.6861 0.6861 0.7508 0.7508 1.0042 1.0042 1.1926 1.1926 1.2270 1.2270 1.3145 1.3145 1.5226 1.5226 1.8949 1.8949 1.9728 1.9728 2.1626 2.1626 2.2745 2.2745 2.5243 2.5243 2.9024 2.9024 3.6824 3.6824 4.4579 4.4579 4.5551 4.5551 6.4650 6.4650 7.4344 7.4344 9.0304 9.0304 9.4302 9.4302 9.9517 9.9517 k = 0.1136-0.0000-0.0000 ( 4409 PWs) bands (ev): -20.8680 -20.8680 -20.8399 -20.8399 -12.6330 -12.6330 -12.4899 -12.4899 -5.9827 -5.9827 -5.8221 -5.8221 -3.2837 -3.2837 -3.2166 -3.2166 -3.2073 -3.2073 -2.6464 -2.6464 0.6771 0.6771 0.7515 0.7515 1.0055 1.0055 1.1960 1.1960 1.2415 1.2415 1.3168 1.3168 1.5240 1.5240 1.8917 1.8917 1.9760 1.9760 2.1565 2.1565 2.2889 2.2889 2.5135 2.5135 2.9214 2.9214 3.6793 3.6793 4.4342 4.4342 4.5247 4.5247 6.4653 6.4653 7.4607 7.4607 8.9487 8.9487 9.4388 9.4388 9.9368 9.9368 k = 0.1250-0.0000-0.0000 ( 4405 PWs) bands (ev): -20.8671 -20.8671 -20.8393 -20.8393 -12.6308 -12.6308 -12.4895 -12.4895 -5.9749 -5.9749 -5.8165 -5.8165 -3.2946 -3.2946 -3.2209 -3.2209 -3.2112 -3.2112 -2.6485 -2.6485 0.6667 0.6667 0.7516 0.7516 1.0098 1.0098 1.1995 1.1995 1.2561 1.2561 1.3197 1.3197 1.5257 1.5257 1.8849 1.8849 1.9812 1.9812 2.1518 2.1518 2.3041 2.3041 2.5026 2.5026 2.9403 2.9403 3.6759 3.6759 4.4084 4.4084 4.4923 4.4923 6.4647 6.4647 7.4897 7.4897 8.8634 8.8634 9.4481 9.4481 9.9222 9.9222 k = 0.1364-0.0000-0.0000 ( 4407 PWs) bands (ev): -20.8660 -20.8660 -20.8387 -20.8387 -12.6283 -12.6283 -12.4891 -12.4891 -5.9666 -5.9666 -5.8106 -5.8106 -3.3064 -3.3064 -3.2352 -3.2352 -3.2055 -3.2055 -2.6509 -2.6509 0.6553 0.6553 0.7506 0.7506 1.0172 1.0172 1.2033 1.2033 1.2707 1.2707 1.3235 1.3235 1.5277 1.5277 1.8751 1.8751 1.9879 1.9879 2.1488 2.1488 2.3196 2.3196 2.4918 2.4918 2.9590 2.9590 3.6721 3.6721 4.3806 4.3806 4.4579 4.4579 6.4628 6.4628 7.5213 7.5213 8.7753 8.7753 9.4580 9.4580 9.9083 9.9083 k = 0.1477-0.0000-0.0000 ( 4395 PWs) bands (ev): -20.8649 -20.8649 -20.8381 -20.8381 -12.6256 -12.6256 -12.4888 -12.4888 -5.9577 -5.9577 -5.8043 -5.8043 -3.3188 -3.3188 -3.2504 -3.2504 -3.1993 -3.1993 -2.6536 -2.6536 0.6434 0.6434 0.7485 0.7485 1.0274 1.0274 1.2073 1.2073 1.2852 1.2852 1.3282 1.3282 1.5300 1.5300 1.8627 1.8627 1.9955 1.9955 2.1479 2.1479 2.3352 2.3352 2.4815 2.4815 2.9774 2.9774 3.6680 3.6680 4.3509 4.3509 4.4219 4.4219 6.4596 6.4596 7.5556 7.5556 8.6846 8.6846 9.4684 9.4684 9.8957 9.8957 k = 0.1591-0.0000-0.0000 ( 4403 PWs) bands (ev): -20.8637 -20.8637 -20.8374 -20.8374 -12.6228 -12.6228 -12.4884 -12.4884 -5.9483 -5.9483 -5.7977 -5.7977 -3.3320 -3.3320 -3.2663 -3.2663 -3.1927 -3.1927 -2.6565 -2.6565 0.6313 0.6313 0.7453 0.7453 1.0400 1.0400 1.2116 1.2116 1.2991 1.2991 1.3343 1.3343 1.5325 1.5325 1.8482 1.8482 2.0032 2.0032 2.1488 2.1488 2.3504 2.3504 2.4718 2.4718 2.9954 2.9954 3.6634 3.6634 4.3195 4.3195 4.3845 4.3845 6.4549 6.4549 7.5924 7.5924 8.5918 8.5918 9.4792 9.4792 9.8846 9.8846 k = 0.1705-0.0000-0.0000 ( 4399 PWs) bands (ev): -20.8624 -20.8624 -20.8366 -20.8366 -12.6199 -12.6199 -12.4880 -12.4880 -5.9384 -5.9384 -5.7908 -5.7908 -3.3456 -3.3456 -3.2828 -3.2828 -3.1856 -3.1856 -2.6597 -2.6597 0.6192 0.6192 0.7410 0.7410 1.0546 1.0546 1.2163 1.2163 1.3120 1.3120 1.3423 1.3423 1.5354 1.5354 1.8324 1.8324 2.0107 2.0107 2.1518 2.1518 2.3644 2.3644 2.4637 2.4637 3.0130 3.0130 3.6585 3.6585 4.2865 4.2865 4.3459 4.3459 6.4486 6.4486 7.6316 7.6316 8.4975 8.4975 9.4904 9.4904 9.8755 9.8755 k = 0.1818-0.0000-0.0000 ( 4399 PWs) bands (ev): -20.8611 -20.8611 -20.8359 -20.8359 -12.6168 -12.6168 -12.4877 -12.4877 -5.9281 -5.9281 -5.7837 -5.7837 -3.3598 -3.3598 -3.2998 -3.2998 -3.1781 -3.1781 -2.6631 -2.6631 0.6074 0.6074 0.7360 0.7360 1.0705 1.0705 1.2217 1.2217 1.3229 1.3229 1.3530 1.3530 1.5385 1.5385 1.8155 1.8155 2.0176 2.0176 2.1566 2.1566 2.3758 2.3758 2.4583 2.4583 3.0301 3.0301 3.6533 3.6533 4.2520 4.2520 4.3064 4.3064 6.4406 6.4406 7.6733 7.6733 8.4018 8.4018 9.5019 9.5019 9.8687 9.8687 k = 0.1932-0.0000-0.0000 ( 4395 PWs) bands (ev): -20.8598 -20.8598 -20.8351 -20.8351 -12.6135 -12.6135 -12.4874 -12.4874 -5.9174 -5.9174 -5.7764 -5.7764 -3.3743 -3.3743 -3.3173 -3.3173 -3.1702 -3.1702 -2.6669 -2.6669 0.5961 0.5961 0.7304 0.7304 1.0871 1.0871 1.2280 1.2280 1.3319 1.3319 1.3661 1.3661 1.5419 1.5419 1.7982 1.7982 2.0236 2.0236 2.1630 2.1630 2.3826 2.3826 2.4579 2.4579 3.0466 3.0466 3.6476 3.6476 4.2163 4.2163 4.2663 4.2663 6.4308 6.4308 7.7174 7.7174 8.3053 8.3053 9.5135 9.5135 9.8646 9.8646 k = 0.2045-0.0000-0.0000 ( 4395 PWs) bands (ev): -20.8584 -20.8584 -20.8344 -20.8344 -12.6101 -12.6101 -12.4871 -12.4871 -5.9064 -5.9064 -5.7689 -5.7689 -3.3892 -3.3892 -3.3351 -3.3351 -3.1620 -3.1620 -2.6708 -2.6708 0.5855 0.5855 0.7244 0.7244 1.1036 1.1036 1.2357 1.2357 1.3396 1.3396 1.3809 1.3809 1.5456 1.5456 1.7806 1.7806 2.0286 2.0286 2.1707 2.1707 2.3839 2.3839 2.4636 2.4636 3.0626 3.0626 3.6415 3.6415 4.1793 4.1793 4.2256 4.2256 6.4194 6.4194 7.7636 7.7636 8.2082 8.2082 9.5251 9.5251 9.8633 9.8633 k = 0.2159-0.0000-0.0000 ( 4391 PWs) bands (ev): -20.8569 -20.8569 -20.8336 -20.8336 -12.6066 -12.6066 -12.4869 -12.4869 -5.8951 -5.8951 -5.7613 -5.7613 -3.4044 -3.4044 -3.3530 -3.3530 -3.1534 -3.1534 -2.6751 -2.6751 0.5756 0.5756 0.7184 0.7184 1.1193 1.1193 1.2452 1.2452 1.3467 1.3467 1.3963 1.3963 1.5495 1.5495 1.7631 1.7631 2.0328 2.0328 2.1791 2.1791 2.3807 2.3807 2.4745 2.4745 3.0780 3.0780 3.6350 3.6350 4.1414 4.1414 4.1846 4.1846 6.4062 6.4062 7.8118 7.8118 8.1110 8.1110 9.5366 9.5366 9.8651 9.8651 k = 0.2273-0.0000-0.0000 ( 4391 PWs) bands (ev): -20.8554 -20.8554 -20.8328 -20.8328 -12.6030 -12.6030 -12.4867 -12.4867 -5.8836 -5.8836 -5.7537 -5.7537 -3.4197 -3.4197 -3.3712 -3.3712 -3.1444 -3.1444 -2.6797 -2.6797 0.5668 0.5668 0.7123 0.7123 1.1333 1.1333 1.2569 1.2569 1.3534 1.3534 1.4118 1.4118 1.5537 1.5537 1.7462 1.7462 2.0361 2.0361 2.1875 2.1875 2.3758 2.3758 2.4884 2.4884 3.0928 3.0928 3.6282 3.6282 4.1027 4.1027 4.1434 4.1434 6.3915 6.3915 7.8612 7.8612 8.0148 8.0148 9.5478 9.5478 9.8702 9.8702 k = 0.2386-0.0000-0.0000 ( 4387 PWs) bands (ev): -20.8539 -20.8539 -20.8320 -20.8320 -12.5993 -12.5993 -12.4865 -12.4865 -5.8719 -5.8719 -5.7460 -5.7460 -3.4352 -3.4352 -3.3893 -3.3893 -3.1352 -3.1352 -2.6846 -2.6846 0.5590 0.5590 0.7065 0.7065 1.1451 1.1451 1.2711 1.2711 1.3599 1.3599 1.4269 1.4269 1.5583 1.5583 1.7301 1.7301 2.0387 2.0387 2.1951 2.1951 2.3710 2.3710 2.5039 2.5039 3.1072 3.1072 3.6209 3.6209 4.0634 4.0634 4.1022 4.1022 6.3753 6.3753 7.8944 7.8944 7.9370 7.9370 9.5587 9.5587 9.8787 9.8787 k = 0.2500-0.0000-0.0000 ( 4379 PWs) bands (ev): -20.8524 -20.8524 -20.8312 -20.8312 -12.5955 -12.5955 -12.4864 -12.4864 -5.8600 -5.8600 -5.7384 -5.7384 -3.4506 -3.4506 -3.4075 -3.4075 -3.1256 -3.1256 -2.6897 -2.6897 0.5523 0.5523 0.7010 0.7010 1.1547 1.1547 1.2876 1.2876 1.3661 1.3661 1.4413 1.4413 1.5632 1.5632 1.7151 1.7151 2.0406 2.0406 2.2011 2.2011 2.3681 2.3681 2.5202 2.5202 3.1210 3.1210 3.6132 3.6132 4.0237 4.0237 4.0611 4.0611 6.3579 6.3579 7.8146 7.8146 7.9746 7.9746 9.5690 9.5690 9.8907 9.8907 k = 0.2614-0.0000-0.0000 ( 4375 PWs) bands (ev): -20.8509 -20.8509 -20.8305 -20.8305 -12.5916 -12.5916 -12.4864 -12.4864 -5.8481 -5.8481 -5.7308 -5.7308 -3.4660 -3.4660 -3.4255 -3.4255 -3.1157 -3.1157 -2.6952 -2.6952 0.5468 0.5468 0.6960 0.6960 1.1622 1.1622 1.3060 1.3060 1.3719 1.3719 1.4545 1.4545 1.5685 1.5685 1.7016 1.7016 2.0421 2.0421 2.2045 2.2045 2.3681 2.3681 2.5368 2.5368 3.1344 3.1344 3.6051 3.6051 3.9839 3.9839 4.0202 4.0202 6.3395 6.3395 7.7199 7.7199 8.0297 8.0297 9.5787 9.5787 9.9063 9.9063 k = 0.2727-0.0000-0.0000 ( 4371 PWs) bands (ev): -20.8494 -20.8494 -20.8297 -20.8297 -12.5877 -12.5877 -12.4865 -12.4865 -5.8361 -5.8361 -5.7234 -5.7234 -3.4812 -3.4812 -3.4432 -3.4432 -3.1056 -3.1056 -2.7010 -2.7010 0.5426 0.5426 0.6915 0.6915 1.1679 1.1679 1.3256 1.3256 1.3771 1.3771 1.4662 1.4662 1.5743 1.5743 1.6899 1.6899 2.0431 2.0431 2.2047 2.2047 2.3718 2.3718 2.5534 2.5534 3.1474 3.1474 3.5967 3.5967 3.9443 3.9443 3.9796 3.9796 6.3202 6.3202 7.6253 7.6253 8.0874 8.0874 9.5875 9.5875 9.9255 9.9255 k = 0.2841-0.0000-0.0000 ( 4371 PWs) bands (ev): -20.8478 -20.8478 -20.8290 -20.8290 -12.5837 -12.5837 -12.4866 -12.4866 -5.8242 -5.8242 -5.7162 -5.7162 -3.4962 -3.4962 -3.4607 -3.4607 -3.0952 -3.0952 -2.7071 -2.7071 0.5397 0.5397 0.6875 0.6875 1.1722 1.1722 1.3455 1.3455 1.3818 1.3818 1.4763 1.4763 1.5806 1.5806 1.6801 1.6801 2.0438 2.0438 2.2019 2.2019 2.3793 2.3793 2.5698 2.5698 3.1599 3.1599 3.5878 3.5878 3.9050 3.9050 3.9394 3.9394 6.3005 6.3005 7.5317 7.5317 8.1468 8.1468 9.5952 9.5952 9.9483 9.9483 k = 0.2955-0.0000-0.0000 ( 4377 PWs) bands (ev): -20.8463 -20.8463 -20.8283 -20.8283 -12.5796 -12.5796 -12.4869 -12.4869 -5.8123 -5.8123 -5.7092 -5.7092 -3.5109 -3.5109 -3.4778 -3.4778 -3.0846 -3.0846 -2.7135 -2.7135 0.5380 0.5380 0.6842 0.6842 1.1756 1.1756 1.3644 1.3644 1.3865 1.3865 1.4846 1.4846 1.5874 1.5874 1.6726 1.6726 2.0442 2.0442 2.1965 2.1965 2.3902 2.3902 2.5860 2.5860 3.1721 3.1721 3.5785 3.5785 3.8662 3.8662 3.8996 3.8996 6.2805 6.2805 7.4395 7.4395 8.2077 8.2077 9.6017 9.6017 9.9746 9.9746 k = 0.3068-0.0000-0.0000 ( 4391 PWs) bands (ev): -20.8447 -20.8447 -20.8277 -20.8277 -12.5756 -12.5756 -12.4872 -12.4872 -5.8006 -5.8006 -5.7024 -5.7024 -3.5252 -3.5252 -3.4945 -3.4945 -3.0738 -3.0738 -2.7202 -2.7202 0.5375 0.5375 0.6815 0.6815 1.1782 1.1782 1.3775 1.3775 1.3951 1.3951 1.4911 1.4911 1.5948 1.5948 1.6671 1.6671 2.0444 2.0444 2.1892 2.1892 2.4040 2.4040 2.6018 2.6018 3.1841 3.1841 3.5688 3.5688 3.8282 3.8282 3.8606 3.8606 6.2607 6.2607 7.3490 7.3490 8.2698 8.2698 9.6067 9.6067 10.0044 10.0044 k = 0.3182-0.0000-0.0000 ( 4399 PWs) bands (ev): -20.8432 -20.8432 -20.8270 -20.8270 -12.5715 -12.5715 -12.4877 -12.4877 -5.7891 -5.7891 -5.6960 -5.6960 -3.5391 -3.5391 -3.5106 -3.5106 -3.0627 -3.0627 -2.7273 -2.7273 0.5384 0.5384 0.6794 0.6794 1.1804 1.1804 1.3809 1.3809 1.4112 1.4112 1.4963 1.4963 1.6028 1.6028 1.6634 1.6634 2.0445 2.0445 2.1807 2.1807 2.4201 2.4201 2.6172 2.6172 3.1957 3.1957 3.5588 3.5588 3.7910 3.7910 3.8222 3.8222 6.2413 6.2413 7.2603 7.2603 8.3329 8.3329 9.6101 9.6101 10.0376 10.0376 k = 0.3295-0.0000-0.0000 ( 4403 PWs) bands (ev): -20.8418 -20.8418 -20.8265 -20.8265 -12.5675 -12.5675 -12.4883 -12.4883 -5.7778 -5.7778 -5.6899 -5.6899 -3.5525 -3.5525 -3.5262 -3.5262 -3.0515 -3.0515 -2.7346 -2.7346 0.5404 0.5404 0.6778 0.6778 1.1822 1.1822 1.3797 1.3797 1.4290 1.4290 1.5006 1.5006 1.6113 1.6113 1.6610 1.6610 2.0445 2.0445 2.1718 2.1718 2.4378 2.4378 2.6322 2.6322 3.2072 3.2072 3.5483 3.5483 3.7550 3.7550 3.7849 3.7849 6.2228 6.2228 7.1738 7.1738 8.3969 8.3969 9.6117 9.6117 10.0741 10.0741 k = 0.3409-0.0000-0.0000 ( 4407 PWs) bands (ev): -20.8403 -20.8403 -20.8260 -20.8260 -12.5634 -12.5634 -12.4890 -12.4890 -5.7668 -5.7668 -5.6843 -5.6843 -3.5653 -3.5653 -3.5410 -3.5410 -3.0402 -3.0402 -2.7422 -2.7422 0.5436 0.5436 0.6768 0.6768 1.1838 1.1838 1.3760 1.3760 1.4464 1.4464 1.5043 1.5043 1.6203 1.6203 1.6593 1.6593 2.0445 2.0445 2.1628 2.1628 2.4569 2.4569 2.6465 2.6465 3.2185 3.2185 3.5374 3.5374 3.7202 3.7202 3.7487 3.7487 6.2054 6.2054 7.0897 7.0897 8.4615 8.4615 9.6113 9.6113 10.1139 10.1139 k = 0.3523-0.0000-0.0000 ( 4399 PWs) bands (ev): -20.8389 -20.8389 -20.8255 -20.8255 -12.5594 -12.5594 -12.4898 -12.4898 -5.7561 -5.7561 -5.6790 -5.6790 -3.5775 -3.5775 -3.5552 -3.5552 -3.0288 -3.0288 -2.7502 -2.7502 0.5479 0.5479 0.6762 0.6762 1.1855 1.1855 1.3703 1.3703 1.4628 1.4628 1.5079 1.5079 1.6296 1.6296 1.6579 1.6579 2.0447 2.0447 2.1541 2.1541 2.4770 2.4770 2.6601 2.6601 3.2297 3.2297 3.5262 3.5262 3.6868 3.6868 3.7139 3.7139 6.1895 6.1895 7.0080 7.0080 8.5265 8.5265 9.6086 9.6086 10.1569 10.1569 k = 0.3636-0.0000-0.0000 ( 4387 PWs) bands (ev): -20.8375 -20.8375 -20.8251 -20.8251 -12.5553 -12.5553 -12.4907 -12.4907 -5.7457 -5.7457 -5.6742 -5.6742 -3.5889 -3.5889 -3.5686 -3.5686 -3.0172 -3.0172 -2.7584 -2.7584 0.5532 0.5532 0.6759 0.6759 1.1872 1.1872 1.3631 1.3631 1.4778 1.4778 1.5117 1.5117 1.6388 1.6388 1.6564 1.6564 2.0451 2.0451 2.1459 2.1459 2.4978 2.4978 2.6731 2.6731 3.2408 3.2408 3.5145 3.5145 3.6549 3.6549 3.6807 3.6807 6.1756 6.1756 6.9292 6.9292 8.5917 8.5917 9.6034 9.6034 10.2029 10.2029 k = 0.3750-0.0000-0.0000 ( 4385 PWs) bands (ev): -20.8362 -20.8362 -20.8247 -20.8247 -12.5514 -12.5514 -12.4918 -12.4918 -5.7358 -5.7358 -5.6699 -5.6699 -3.5996 -3.5996 -3.5812 -3.5812 -3.0055 -3.0055 -2.7670 -2.7670 0.5595 0.5595 0.6758 0.6758 1.1891 1.1891 1.3546 1.3546 1.4910 1.4910 1.5162 1.5162 1.6474 1.6474 1.6546 1.6546 2.0457 2.0457 2.1384 2.1384 2.5190 2.5190 2.6851 2.6851 3.2518 3.2518 3.5024 3.5024 3.6245 3.6245 3.6492 3.6492 6.1638 6.1638 6.8532 6.8532 8.6568 8.6568 9.5956 9.5956 10.2517 10.2517 k = 0.3864-0.0000-0.0000 ( 4386 PWs) bands (ev): -20.8349 -20.8349 -20.8244 -20.8244 -12.5475 -12.5475 -12.4931 -12.4931 -5.7263 -5.7263 -5.6662 -5.6662 -3.6095 -3.6095 -3.5929 -3.5929 -2.9938 -2.9938 -2.7758 -2.7758 0.5665 0.5665 0.6757 0.6757 1.1912 1.1912 1.3451 1.3451 1.5015 1.5015 1.5223 1.5223 1.6507 1.6507 1.6569 1.6569 2.0467 2.0467 2.1316 2.1316 2.5405 2.5405 2.6961 2.6961 3.2627 3.2627 3.4899 3.4899 3.5958 3.5958 3.6199 3.6199 6.1546 6.1546 6.7804 6.7804 8.7217 8.7217 9.5849 9.5849 10.3034 10.3034 k = 0.3977-0.0000-0.0000 ( 4386 PWs) bands (ev): -20.8337 -20.8337 -20.8242 -20.8242 -12.5436 -12.5436 -12.4944 -12.4944 -5.7174 -5.7174 -5.6630 -5.6630 -3.6185 -3.6185 -3.6037 -3.6037 -2.9821 -2.9821 -2.7849 -2.7849 0.5741 0.5741 0.6756 0.6756 1.1937 1.1937 1.3350 1.3350 1.5090 1.5090 1.5304 1.5304 1.6481 1.6481 1.6637 1.6637 2.0482 2.0482 2.1255 2.1255 2.5620 2.5620 2.7059 2.7059 3.2736 3.2736 3.4770 3.4770 3.5690 3.5690 3.5927 3.5927 6.1483 6.1483 6.7109 6.7109 8.7860 8.7860 9.5711 9.5711 10.3578 10.3578 k = 0.4091-0.0000-0.0000 ( 4386 PWs) bands (ev): -20.8325 -20.8325 -20.8241 -20.8241 -12.5399 -12.5399 -12.4960 -12.4960 -5.7089 -5.7089 -5.6604 -5.6604 -3.6266 -3.6266 -3.6136 -3.6136 -2.9703 -2.9703 -2.7943 -2.7943 0.5823 0.5823 0.6751 0.6751 1.1966 1.1966 1.3245 1.3245 1.5142 1.5142 1.5395 1.5395 1.6449 1.6449 1.6696 1.6696 2.0502 2.0502 2.1200 2.1200 2.5833 2.5833 2.7145 2.7145 3.2844 3.2844 3.4637 3.4637 3.5443 3.5443 3.5680 3.5680 6.1451 6.1451 6.6448 6.6448 8.8494 8.8494 9.5542 9.5542 10.4147 10.4147 k = 0.4205-0.0000-0.0000 ( 4402 PWs) bands (ev): -20.8314 -20.8314 -20.8240 -20.8240 -12.5362 -12.5362 -12.4976 -12.4976 -5.7010 -5.7010 -5.6584 -5.6584 -3.6338 -3.6338 -3.6225 -3.6225 -2.9585 -2.9585 -2.8039 -2.8039 0.5909 0.5909 0.6743 0.6743 1.2000 1.2000 1.3136 1.3136 1.5183 1.5183 1.5479 1.5479 1.6421 1.6421 1.6740 1.6740 2.0528 2.0528 2.1150 2.1150 2.6040 2.6040 2.7215 2.7215 3.2951 3.2951 3.4502 3.4502 3.5220 3.5220 3.5457 3.5457 6.1453 6.1453 6.5824 6.5824 8.9118 8.9118 9.5340 9.5340 10.4741 10.4741 k = 0.4318-0.0000-0.0000 ( 4402 PWs) bands (ev): -20.8304 -20.8304 -20.8240 -20.8240 -12.5326 -12.5326 -12.4995 -12.4995 -5.6937 -5.6937 -5.6571 -5.6571 -3.6400 -3.6400 -3.6304 -3.6304 -2.9467 -2.9467 -2.8138 -2.8138 0.5997 0.5997 0.6729 0.6729 1.2040 1.2040 1.3028 1.3028 1.5222 1.5222 1.5548 1.5548 1.6402 1.6402 1.6768 1.6768 2.0560 2.0560 2.1103 2.1103 2.6242 2.6242 2.7269 2.7269 3.3057 3.3057 3.4367 3.4367 3.5025 3.5025 3.5259 3.5259 6.1492 6.1492 6.5238 6.5238 8.9729 8.9729 9.5104 9.5104 10.5358 10.5358 k = 0.4432-0.0000-0.0000 ( 4394 PWs) bands (ev): -20.8294 -20.8294 -20.8241 -20.8241 -12.5291 -12.5291 -12.5014 -12.5014 -5.6870 -5.6870 -5.6564 -5.6564 -3.6452 -3.6452 -3.6372 -3.6372 -2.9350 -2.9350 -2.8239 -2.8239 0.6087 0.6087 0.6709 0.6709 1.2087 1.2087 1.2921 1.2921 1.5262 1.5262 1.5593 1.5593 1.6400 1.6400 1.6779 1.6779 2.0597 2.0597 2.1058 2.1058 2.6433 2.6433 2.7305 2.7305 3.3161 3.3161 3.4233 3.4233 3.4860 3.4860 3.5085 3.5085 6.1570 6.1570 6.4691 6.4691 9.0323 9.0323 9.4832 9.4832 10.5998 10.5998 k = 0.4545-0.0000-0.0000 ( 4398 PWs) bands (ev): -20.8285 -20.8285 -20.8242 -20.8242 -12.5258 -12.5258 -12.5036 -12.5036 -5.6808 -5.6808 -5.6564 -5.6564 -3.6493 -3.6493 -3.6429 -3.6429 -2.9234 -2.9234 -2.8343 -2.8343 0.6175 0.6175 0.6682 0.6682 1.2141 1.2141 1.2815 1.2815 1.5302 1.5302 1.5611 1.5611 1.6418 1.6418 1.6774 1.6774 2.0638 2.0638 2.1014 2.1014 2.6612 2.6612 2.7319 2.7319 3.3264 3.3264 3.4103 3.4103 3.4729 3.4729 3.4934 3.4934 6.1687 6.1687 6.4185 6.4185 9.0898 9.0898 9.4526 9.4526 10.6659 10.6659 k = 0.4659-0.0000-0.0000 ( 4398 PWs) bands (ev): -20.8277 -20.8277 -20.8245 -20.8245 -12.5225 -12.5225 -12.5058 -12.5058 -5.6754 -5.6754 -5.6570 -5.6570 -3.6524 -3.6524 -3.6476 -3.6476 -2.9118 -2.9118 -2.8448 -2.8448 0.6260 0.6260 0.6646 0.6646 1.2202 1.2202 1.2712 1.2712 1.5346 1.5346 1.5602 1.5602 1.6455 1.6455 1.6753 1.6753 2.0682 2.0682 2.0969 2.0969 2.6775 2.6775 2.7312 2.7312 3.3364 3.3364 3.3980 3.3980 3.4635 3.4635 3.4805 3.4805 6.1847 6.1847 6.3720 6.3720 9.1451 9.1451 9.4184 9.4184 10.7340 10.7340 k = 0.4773-0.0000-0.0000 ( 4396 PWs) bands (ev): -20.8269 -20.8269 -20.8248 -20.8248 -12.5194 -12.5194 -12.5083 -12.5083 -5.6706 -5.6706 -5.6584 -5.6584 -3.6543 -3.6543 -3.6512 -3.6512 -2.9003 -2.9003 -2.8556 -2.8556 0.6342 0.6342 0.6601 0.6601 1.2271 1.2271 1.2613 1.2613 1.5392 1.5392 1.5575 1.5575 1.6506 1.6506 1.6719 1.6719 2.0730 2.0730 2.0923 2.0923 2.6920 2.6920 2.7282 2.7282 3.3462 3.3462 3.3864 3.3864 3.4578 3.4578 3.4701 3.4701 6.2050 6.2050 6.3299 6.3299 9.1980 9.1980 9.3808 9.3808 10.8040 10.8040 k = 0.4886-0.0000-0.0000 ( 4400 PWs) bands (ev): -20.8263 -20.8263 -20.8252 -20.8252 -12.5164 -12.5164 -12.5108 -12.5108 -5.6665 -5.6665 -5.6604 -5.6604 -3.6552 -3.6552 -3.6536 -3.6536 -2.8889 -2.8889 -2.8665 -2.8665 0.6417 0.6417 0.6548 0.6548 1.2347 1.2347 1.2518 1.2518 1.5440 1.5440 1.5535 1.5535 1.6564 1.6564 1.6674 1.6674 2.0779 2.0779 2.0876 2.0876 2.7045 2.7045 2.7227 2.7227 3.3559 3.3559 3.3757 3.3757 3.4558 3.4558 3.4622 3.4622 6.2296 6.2296 6.2920 6.2920 9.2482 9.2482 9.3398 9.3398 10.8758 10.8758 k = 0.5000-0.0000-0.0000 ( 4390 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6631 -5.6631 -5.6631 -5.6631 -3.6550 -3.6550 -3.6550 -3.6550 -2.8776 -2.8776 -2.8776 -2.8776 0.6487 0.6487 0.6487 0.6487 1.2430 1.2430 1.2430 1.2430 1.5489 1.5489 1.5489 1.5489 1.6621 1.6621 1.6621 1.6621 2.0828 2.0828 2.0828 2.0828 2.7148 2.7148 2.7148 2.7148 3.3657 3.3657 3.3657 3.3657 3.4574 3.4574 3.4574 3.4574 6.2586 6.2586 6.2586 6.2586 9.2956 9.2956 9.2956 9.2956 10.9494 10.9494 k = 0.5000-0.0000-0.0000 ( 4390 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6631 -5.6631 -5.6631 -5.6631 -3.6550 -3.6550 -3.6550 -3.6550 -2.8776 -2.8776 -2.8776 -2.8776 0.6487 0.6487 0.6487 0.6487 1.2430 1.2430 1.2430 1.2430 1.5489 1.5489 1.5489 1.5489 1.6621 1.6621 1.6621 1.6621 2.0828 2.0828 2.0828 2.0828 2.7148 2.7148 2.7148 2.7148 3.3657 3.3657 3.3657 3.3657 3.4574 3.4574 3.4574 3.4574 6.2586 6.2586 6.2586 6.2586 9.2956 9.2956 9.2956 9.2956 10.9494 10.9494 k = 0.5000 0.0111-0.0000 ( 4398 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6631 -5.6631 -5.6631 -5.6631 -3.6552 -3.6552 -3.6552 -3.6552 -2.8775 -2.8775 -2.8775 -2.8775 0.6485 0.6485 0.6487 0.6487 1.2407 1.2407 1.2438 1.2438 1.5477 1.5477 1.5492 1.5492 1.6573 1.6573 1.6681 1.6681 2.0802 2.0802 2.0865 2.0865 2.7149 2.7149 2.7153 2.7153 3.3653 3.3653 3.3656 3.3656 3.4571 3.4571 3.4575 3.4575 6.2595 6.2595 6.2600 6.2600 9.2951 9.2951 9.2962 9.2962 10.9449 10.9475 k = 0.5000 0.0221-0.0000 ( 4382 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5135 -12.5135 -12.5135 -12.5135 -5.6630 -5.6630 -5.6630 -5.6630 -3.6559 -3.6559 -3.6559 -3.6559 -2.8770 -2.8770 -2.8770 -2.8770 0.6482 0.6482 0.6485 0.6485 1.2371 1.2371 1.2432 1.2432 1.5460 1.5460 1.5487 1.5487 1.6539 1.6539 1.6749 1.6749 2.0789 2.0789 2.0915 2.0915 2.7158 2.7158 2.7166 2.7166 3.3647 3.3647 3.3653 3.3653 3.4568 3.4568 3.4576 3.4576 6.2627 6.2627 6.2636 6.2636 9.2950 9.2950 9.2972 9.2972 10.9341 10.9342 k = 0.5000 0.0332-0.0000 ( 4382 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5135 -12.5135 -12.5135 -12.5135 -5.6628 -5.6628 -5.6628 -5.6628 -3.6571 -3.6571 -3.6570 -3.6570 -2.8762 -2.8762 -2.8762 -2.8762 0.6477 0.6477 0.6482 0.6482 1.2322 1.2322 1.2411 1.2411 1.5440 1.5440 1.5472 1.5472 1.6522 1.6522 1.6821 1.6821 2.0789 2.0789 2.0974 2.0974 2.7173 2.7173 2.7185 2.7185 3.3637 3.3637 3.3646 3.3646 3.4564 3.4564 3.4575 3.4575 6.2681 6.2681 6.2695 6.2695 9.2951 9.2951 9.2983 9.2983 10.9171 10.9174 k = 0.5000 0.0443-0.0000 ( 4384 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5135 -12.5135 -12.5135 -12.5135 -5.6626 -5.6626 -5.6626 -5.6626 -3.6587 -3.6587 -3.6586 -3.6586 -2.8751 -2.8751 -2.8751 -2.8751 0.6471 0.6471 0.6477 0.6477 1.2260 1.2260 1.2375 1.2375 1.5417 1.5417 1.5446 1.5446 1.6522 1.6522 1.6897 1.6897 2.0801 2.0801 2.1040 2.1040 2.7195 2.7195 2.7211 2.7211 3.3624 3.3624 3.3636 3.3636 3.4559 3.4559 3.4574 3.4574 6.2758 6.2758 6.2775 6.2775 9.2954 9.2954 9.2998 9.2998 10.8941 10.8942 k = 0.5000 0.0553-0.0000 ( 4376 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5135 -12.5135 -12.5135 -12.5135 -5.6623 -5.6623 -5.6623 -5.6623 -3.6607 -3.6607 -3.6606 -3.6606 -2.8737 -2.8737 -2.8737 -2.8737 0.6464 0.6464 0.6471 0.6471 1.2187 1.2187 1.2325 1.2325 1.5394 1.5394 1.5413 1.5413 1.6539 1.6539 1.6974 1.6974 2.0826 2.0826 2.1114 2.1114 2.7223 2.7223 2.7242 2.7242 3.3608 3.3608 3.3622 3.3622 3.4554 3.4554 3.4571 3.4571 6.2856 6.2856 6.2877 6.2877 9.2961 9.2961 9.3015 9.3015 10.8651 10.8651 k = 0.5000 0.0664-0.0000 ( 4376 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5135 -12.5135 -12.5135 -12.5135 -5.6619 -5.6619 -5.6619 -5.6619 -3.6631 -3.6631 -3.6630 -3.6630 -2.8721 -2.8721 -2.8720 -2.8720 0.6455 0.6455 0.6463 0.6463 1.2102 1.2102 1.2260 1.2260 1.5372 1.5372 1.5375 1.5375 1.6572 1.6572 1.7052 1.7052 2.0862 2.0862 2.1192 2.1192 2.7258 2.7258 2.7280 2.7280 3.3589 3.3589 3.3605 3.3605 3.4548 3.4548 3.4568 3.4568 6.2974 6.2974 6.3000 6.3000 9.2970 9.2970 9.3036 9.3036 10.8303 10.8303 k = 0.5000 0.0774-0.0000 ( 4386 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5135 -12.5135 -12.5135 -12.5135 -5.6616 -5.6616 -5.6615 -5.6615 -3.6659 -3.6659 -3.6658 -3.6658 -2.8702 -2.8702 -2.8701 -2.8701 0.6446 0.6446 0.6455 0.6455 1.2007 1.2007 1.2180 1.2180 1.5335 1.5335 1.5350 1.5350 1.6617 1.6617 1.7128 1.7128 2.0906 2.0906 2.1272 2.1272 2.7299 2.7299 2.7322 2.7322 3.3568 3.3568 3.3585 3.3585 3.4541 3.4541 3.4564 3.4564 6.3113 6.3113 6.3142 6.3142 9.2984 9.2984 9.3060 9.3060 10.7899 10.7899 k = 0.5000 0.0885-0.0000 ( 4390 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5134 -12.5134 -12.5134 -12.5134 -5.6611 -5.6611 -5.6611 -5.6611 -3.6690 -3.6690 -3.6688 -3.6688 -2.8682 -2.8682 -2.8681 -2.8681 0.6437 0.6437 0.6446 0.6446 1.1904 1.1904 1.2088 1.2088 1.5296 1.5296 1.5330 1.5330 1.6673 1.6673 1.7204 1.7204 2.0960 2.0960 2.1355 2.1355 2.7345 2.7345 2.7370 2.7370 3.3544 3.3544 3.3562 3.3562 3.4535 3.4535 3.4559 3.4559 6.3270 6.3270 6.3303 6.3303 9.3001 9.3001 9.3088 9.3088 10.7442 10.7442 k = 0.5000 0.0996-0.0000 ( 4394 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5134 -12.5134 -12.5134 -12.5134 -5.6606 -5.6606 -5.6606 -5.6606 -3.6723 -3.6723 -3.6722 -3.6722 -2.8659 -2.8659 -2.8658 -2.8658 0.6427 0.6427 0.6437 0.6437 1.1792 1.1792 1.1984 1.1984 1.5260 1.5260 1.5312 1.5312 1.6737 1.6737 1.7280 1.7280 2.1020 2.1020 2.1438 2.1438 2.7396 2.7396 2.7421 2.7421 3.3518 3.3518 3.3536 3.3536 3.4528 3.4528 3.4554 3.4554 6.3444 6.3444 6.3480 6.3480 9.3024 9.3024 9.3121 9.3121 10.6938 10.6938 k = 0.5000 0.1106-0.0000 ( 4398 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5134 -12.5134 -12.5134 -12.5134 -5.6601 -5.6601 -5.6601 -5.6601 -3.6758 -3.6758 -3.6757 -3.6757 -2.8635 -2.8635 -2.8634 -2.8634 0.6418 0.6418 0.6428 0.6428 1.1674 1.1674 1.1869 1.1869 1.5228 1.5228 1.5297 1.5297 1.6807 1.6807 1.7353 1.7353 2.1085 2.1085 2.1519 2.1519 2.7451 2.7451 2.7476 2.7476 3.3491 3.3491 3.3508 3.3508 3.4522 3.4522 3.4548 3.4548 6.3635 6.3635 6.3673 6.3673 9.3051 9.3051 9.3160 9.3160 10.6391 10.6391 k = 0.5000 0.1217-0.0000 ( 4402 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5133 -12.5133 -12.5133 -12.5133 -5.6596 -5.6596 -5.6596 -5.6596 -3.6796 -3.6796 -3.6794 -3.6794 -2.8610 -2.8610 -2.8609 -2.8609 0.6409 0.6409 0.6419 0.6419 1.1550 1.1550 1.1746 1.1746 1.5203 1.5203 1.5284 1.5284 1.6882 1.6882 1.7424 1.7424 2.1154 2.1154 2.1598 2.1598 2.7510 2.7510 2.7535 2.7535 3.3462 3.3462 3.3478 3.3478 3.4515 3.4515 3.4542 3.4542 6.3839 6.3839 6.3880 6.3880 9.3085 9.3085 9.3204 9.3204 10.5807 10.5807 k = 0.5000 0.1328-0.0000 ( 4404 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5133 -12.5133 -12.5133 -12.5133 -5.6590 -5.6590 -5.6590 -5.6590 -3.6834 -3.6834 -3.6832 -3.6832 -2.8584 -2.8584 -2.8583 -2.8583 0.6401 0.6401 0.6411 0.6411 1.1423 1.1423 1.1616 1.1616 1.5183 1.5183 1.5274 1.5274 1.6960 1.6960 1.7494 1.7494 2.1226 2.1226 2.1673 2.1673 2.7571 2.7571 2.7595 2.7595 3.3432 3.3432 3.3447 3.3447 3.4509 3.4509 3.4536 3.4536 6.4056 6.4056 6.4099 6.4099 9.3126 9.3126 9.3255 9.3255 10.5193 10.5193 k = 0.5000 0.1438-0.0000 ( 4404 PWs) bands (ev): -20.8257 -20.8257 -20.8256 -20.8256 -12.5133 -12.5133 -12.5133 -12.5133 -5.6584 -5.6584 -5.6584 -5.6584 -3.6873 -3.6873 -3.6872 -3.6872 -2.8558 -2.8558 -2.8557 -2.8557 0.6394 0.6394 0.6404 0.6404 1.1294 1.1294 1.1481 1.1481 1.5169 1.5169 1.5267 1.5267 1.7041 1.7041 1.7561 1.7561 2.1298 2.1298 2.1744 2.1744 2.7635 2.7635 2.7657 2.7657 3.3401 3.3401 3.3414 3.3414 3.4503 3.4503 3.4530 3.4530 6.4283 6.4283 6.4327 6.4327 9.3174 9.3174 9.3314 9.3314 10.4556 10.4556 k = 0.5000 0.1549-0.0000 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5132 -12.5132 -12.5132 -12.5132 -5.6578 -5.6578 -5.6578 -5.6578 -3.6913 -3.6913 -3.6911 -3.6911 -2.8532 -2.8532 -2.8531 -2.8531 0.6388 0.6388 0.6398 0.6398 1.1164 1.1164 1.1344 1.1344 1.5160 1.5160 1.5262 1.5262 1.7122 1.7122 1.7624 1.7624 2.1372 2.1372 2.1811 2.1811 2.7699 2.7699 2.7720 2.7720 3.3370 3.3370 3.3381 3.3381 3.4497 3.4497 3.4523 3.4523 6.4517 6.4517 6.4562 6.4562 9.3231 9.3231 9.3382 9.3382 10.3902 10.3902 k = 0.5000 0.1659-0.0000 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5132 -12.5132 -12.5132 -12.5132 -5.6572 -5.6572 -5.6572 -5.6572 -3.6952 -3.6952 -3.6950 -3.6950 -2.8506 -2.8506 -2.8505 -2.8505 0.6384 0.6384 0.6392 0.6392 1.1034 1.1034 1.1205 1.1205 1.5157 1.5157 1.5260 1.5260 1.7203 1.7203 1.7684 1.7684 2.1444 2.1444 2.1872 2.1872 2.7764 2.7764 2.7782 2.7782 3.3338 3.3338 3.3347 3.3347 3.4492 3.4492 3.4517 3.4517 6.4756 6.4756 6.4801 6.4801 9.3299 9.3299 9.3459 9.3459 10.3237 10.3237 k = 0.5000 0.1770-0.0000 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5132 -12.5132 -12.5132 -12.5132 -5.6566 -5.6566 -5.6566 -5.6566 -3.6990 -3.6990 -3.6988 -3.6988 -2.8481 -2.8481 -2.8479 -2.8479 0.6381 0.6381 0.6389 0.6389 1.0906 1.0906 1.1067 1.1067 1.5157 1.5157 1.5260 1.5260 1.7283 1.7283 1.7741 1.7741 2.1515 2.1515 2.1928 2.1928 2.7829 2.7829 2.7845 2.7845 3.3307 3.3307 3.3314 3.3314 3.4487 3.4487 3.4511 3.4511 6.4998 6.4998 6.5042 6.5042 9.3377 9.3377 9.3548 9.3548 10.2569 10.2569 k = 0.5000 0.1881-0.0000 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5131 -12.5131 -12.5131 -12.5131 -5.6560 -5.6560 -5.6560 -5.6560 -3.7027 -3.7027 -3.7026 -3.7026 -2.8456 -2.8456 -2.8455 -2.8455 0.6379 0.6379 0.6386 0.6386 1.0783 1.0783 1.0932 1.0932 1.5162 1.5162 1.5261 1.5261 1.7362 1.7362 1.7792 1.7792 2.1584 2.1584 2.1977 2.1977 2.7891 2.7891 2.7905 2.7905 3.3277 3.3277 3.3282 3.3282 3.4482 3.4482 3.4505 3.4505 6.5238 6.5238 6.5282 6.5282 9.3469 9.3469 9.3650 9.3650 10.1902 10.1902 k = 0.5000 0.1991-0.0000 ( 4392 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5131 -12.5131 -12.5131 -12.5131 -5.6555 -5.6555 -5.6554 -5.6554 -3.7062 -3.7062 -3.7061 -3.7061 -2.8433 -2.8433 -2.8432 -2.8432 0.6379 0.6379 0.6386 0.6386 1.0664 1.0664 1.0801 1.0801 1.5169 1.5169 1.5263 1.5263 1.7438 1.7438 1.7838 1.7838 2.1651 2.1651 2.2020 2.2020 2.7952 2.7952 2.7962 2.7962 3.3248 3.3248 3.3251 3.3251 3.4479 3.4479 3.4499 3.4499 6.5474 6.5474 6.5516 6.5516 9.3574 9.3574 9.3765 9.3765 10.1243 10.1243 k = 0.5000 0.2102-0.0000 ( 4394 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5131 -12.5131 -12.5131 -12.5131 -5.6549 -5.6549 -5.6549 -5.6549 -3.7096 -3.7096 -3.7095 -3.7095 -2.8411 -2.8411 -2.8410 -2.8410 0.6380 0.6380 0.6386 0.6386 1.0552 1.0552 1.0676 1.0676 1.5178 1.5178 1.5266 1.5266 1.7511 1.7511 1.7879 1.7879 2.1714 2.1714 2.2057 2.2057 2.8008 2.8008 2.8017 2.8017 3.3220 3.3220 3.3222 3.3222 3.4475 3.4475 3.4494 3.4494 6.5703 6.5703 6.5743 6.5743 9.3695 9.3695 9.3896 9.3896 10.0597 10.0597 k = 0.5000 0.2213-0.0000 ( 4394 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5130 -12.5130 -12.5130 -12.5130 -5.6544 -5.6544 -5.6544 -5.6544 -3.7127 -3.7127 -3.7126 -3.7126 -2.8391 -2.8391 -2.8390 -2.8390 0.6383 0.6383 0.6387 0.6387 1.0448 1.0448 1.0559 1.0559 1.5189 1.5189 1.5270 1.5270 1.7580 1.7580 1.7914 1.7914 2.1774 2.1774 2.2087 2.2087 2.8061 2.8061 2.8068 2.8068 3.3194 3.3194 3.3195 3.3195 3.4472 3.4472 3.4489 3.4489 6.5920 6.5920 6.5958 6.5958 9.3835 9.3835 9.4045 9.4045 9.9968 9.9968 k = 0.5000 0.2323-0.0000 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5130 -12.5130 -12.5130 -12.5130 -5.6540 -5.6540 -5.6540 -5.6540 -3.7155 -3.7155 -3.7154 -3.7154 -2.8372 -2.8372 -2.8371 -2.8371 0.6386 0.6386 0.6390 0.6390 1.0353 1.0353 1.0451 1.0451 1.5201 1.5201 1.5273 1.5273 1.7645 1.7645 1.7942 1.7942 2.1831 2.1831 2.2111 2.2111 2.8110 2.8110 2.8114 2.8114 3.3170 3.3170 3.3171 3.3171 3.4469 3.4469 3.4484 3.4484 6.6123 6.6123 6.6157 6.6157 9.3993 9.3993 9.4212 9.4212 9.9361 9.9361 k = 0.5000 0.2434-0.0000 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5130 -12.5130 -12.5130 -12.5130 -5.6536 -5.6536 -5.6536 -5.6536 -3.7180 -3.7180 -3.7179 -3.7179 -2.8356 -2.8356 -2.8355 -2.8355 0.6390 0.6390 0.6393 0.6393 1.0269 1.0269 1.0353 1.0353 1.5213 1.5213 1.5276 1.5276 1.7705 1.7705 1.7963 1.7963 2.1883 2.1883 2.2128 2.2128 2.8153 2.8153 2.8156 2.8156 3.3147 3.3147 3.3149 3.3149 3.4467 3.4467 3.4480 3.4480 6.6308 6.6308 6.6339 6.6339 9.4173 9.4173 9.4400 9.4400 9.8780 9.8780 k = 0.5000 0.2544-0.0000 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5130 -12.5130 -12.5130 -12.5130 -5.6532 -5.6532 -5.6532 -5.6532 -3.7202 -3.7202 -3.7201 -3.7201 -2.8342 -2.8342 -2.8341 -2.8341 0.6394 0.6394 0.6396 0.6396 1.0196 1.0196 1.0267 1.0267 1.5226 1.5226 1.5279 1.5279 1.7761 1.7761 1.7979 1.7979 2.1932 2.1932 2.2139 2.2139 2.8190 2.8190 2.8192 2.8192 3.3128 3.3128 3.3130 3.3130 3.4465 3.4465 3.4476 3.4476 6.6472 6.6472 6.6498 6.6498 9.4376 9.4376 9.4610 9.4610 9.8229 9.8229 k = 0.5000 0.2655-0.0000 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6529 -5.6529 -5.6529 -5.6529 -3.7220 -3.7220 -3.7219 -3.7219 -2.8330 -2.8330 -2.8330 -2.8330 0.6398 0.6398 0.6400 0.6400 1.0137 1.0137 1.0194 1.0194 1.5237 1.5237 1.5280 1.5280 1.7811 1.7811 1.7987 1.7987 2.1976 2.1976 2.2144 2.2144 2.8221 2.8221 2.8222 2.8222 3.3112 3.3112 3.3115 3.3115 3.4464 3.4464 3.4473 3.4473 6.6611 6.6611 6.6632 6.6632 9.4603 9.4603 9.4842 9.4842 9.7712 9.7712 k = 0.5000 0.2766-0.0000 ( 4394 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6527 -5.6527 -5.6527 -5.6527 -3.7234 -3.7234 -3.7233 -3.7233 -2.8321 -2.8321 -2.8320 -2.8320 0.6401 0.6401 0.6403 0.6403 1.0092 1.0092 1.0135 1.0135 1.5248 1.5248 1.5281 1.5281 1.7856 1.7856 1.7989 1.7989 2.2015 2.2015 2.2143 2.2143 2.8246 2.8246 2.8246 2.8246 3.3100 3.3100 3.3102 3.3102 3.4463 3.4463 3.4470 3.4470 6.6723 6.6723 6.6739 6.6739 9.4853 9.4853 9.5095 9.5095 9.7235 9.7235 k = 0.5000 0.2876-0.0000 ( 4398 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6525 -5.6525 -5.6525 -5.6525 -3.7244 -3.7244 -3.7244 -3.7244 -2.8314 -2.8314 -2.8314 -2.8314 0.6404 0.6404 0.6405 0.6405 1.0061 1.0061 1.0089 1.0089 1.5257 1.5257 1.5279 1.5279 1.7894 1.7894 1.7983 1.7983 2.2050 2.2050 2.2135 2.2135 2.8263 2.8263 2.8263 2.8263 3.3091 3.3091 3.3092 3.3092 3.4463 3.4463 3.4468 3.4468 6.6805 6.6805 6.6816 6.6816 9.5125 9.5125 9.5359 9.5359 9.6810 9.6810 k = 0.5000 0.2987-0.0000 ( 4394 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6524 -5.6524 -5.6524 -5.6524 -3.7250 -3.7250 -3.7250 -3.7250 -2.8310 -2.8310 -2.8310 -2.8310 0.6406 0.6406 0.6407 0.6407 1.0045 1.0045 1.0059 1.0059 1.5265 1.5265 1.5276 1.5276 1.7926 1.7926 1.7971 1.7971 2.2079 2.2079 2.2122 2.2122 2.8274 2.8274 2.8274 2.8274 3.3086 3.3086 3.3087 3.3087 3.4464 3.4464 3.4466 3.4466 6.6857 6.6857 6.6862 6.6862 9.5404 9.5404 9.5590 9.5590 9.6483 9.6483 k = 0.5000 0.3098-0.0000 ( 4392 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6524 -5.6524 -5.6524 -5.6524 -3.7252 -3.7252 -3.7252 -3.7252 -2.8309 -2.8309 -2.8309 -2.8309 0.6407 0.6407 0.6407 0.6407 1.0044 1.0044 1.0044 1.0044 1.5271 1.5271 1.5271 1.5271 1.7952 1.7952 1.7952 1.7952 2.2104 2.2104 2.2104 2.2104 2.8278 2.8278 2.8278 2.8278 3.3085 3.3085 3.3085 3.3085 3.4465 3.4465 3.4465 3.4465 6.6876 6.6876 6.6876 6.6876 9.5622 9.5622 9.5622 9.5622 9.6423 9.6423 k = 0.5000 0.3098-0.0000 ( 4392 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6524 -5.6524 -5.6524 -5.6524 -3.7252 -3.7252 -3.7252 -3.7252 -2.8309 -2.8309 -2.8309 -2.8309 0.6407 0.6407 0.6407 0.6407 1.0044 1.0044 1.0044 1.0044 1.5271 1.5271 1.5271 1.5271 1.7952 1.7952 1.7952 1.7952 2.2104 2.2104 2.2104 2.2104 2.8278 2.8278 2.8278 2.8278 3.3085 3.3085 3.3085 3.3085 3.4465 3.4465 3.4465 3.4465 6.6876 6.6876 6.6876 6.6876 9.5622 9.5622 9.5622 9.5622 9.6423 9.6423 k = 0.4886 0.3098-0.0000 ( 4388 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5130 -12.5130 -12.5130 -12.5130 -5.6528 -5.6528 -5.6527 -5.6527 -3.7250 -3.7250 -3.7243 -3.7243 -2.8311 -2.8311 -2.8308 -2.8308 0.6372 0.6372 0.6432 0.6432 1.0044 1.0044 1.0053 1.0053 1.5271 1.5271 1.5279 1.5279 1.7922 1.7922 1.7978 1.7978 2.2093 2.2093 2.2109 2.2109 2.8191 2.8191 2.8328 2.8328 3.3083 3.3083 3.3087 3.3087 3.4471 3.4471 3.4501 3.4501 6.6883 6.6883 6.6886 6.6886 9.5178 9.5178 9.5311 9.5311 9.6750 9.6750 k = 0.4773 0.3098-0.0000 ( 4394 PWs) bands (ev): -20.8258 -20.8258 -20.8257 -20.8257 -12.5133 -12.5133 -12.5132 -12.5132 -5.6539 -5.6539 -5.6537 -5.6537 -3.7236 -3.7236 -3.7222 -3.7222 -2.8315 -2.8315 -2.8310 -2.8310 0.6327 0.6327 0.6447 0.6447 1.0053 1.0053 1.0070 1.0070 1.5277 1.5277 1.5295 1.5295 1.7889 1.7889 1.7999 1.7999 2.2078 2.2078 2.2107 2.2107 2.8070 2.8070 2.8342 2.8342 3.3085 3.3085 3.3088 3.3088 3.4522 3.4522 3.4579 3.4579 6.6906 6.6906 6.6913 6.6913 9.4558 9.4558 9.4714 9.4714 9.7377 9.7377 k = 0.4659 0.3098-0.0000 ( 4398 PWs) bands (ev): -20.8261 -20.8261 -20.8258 -20.8258 -12.5136 -12.5136 -12.5135 -12.5135 -5.6557 -5.6557 -5.6554 -5.6554 -3.7210 -3.7210 -3.7190 -3.7190 -2.8321 -2.8321 -2.8314 -2.8314 0.6275 0.6275 0.6453 0.6453 1.0070 1.0070 1.0095 1.0095 1.5288 1.5288 1.5318 1.5318 1.7852 1.7852 1.8016 1.8016 2.2057 2.2057 2.2099 2.2099 2.7919 2.7919 2.8319 2.8319 3.3086 3.3086 3.3090 3.3090 3.4614 3.4614 3.4697 3.4697 6.6947 6.6947 6.6956 6.6956 9.3925 9.3925 9.4094 9.4094 9.8041 9.8041 k = 0.4545 0.3098-0.0000 ( 4398 PWs) bands (ev): -20.8264 -20.8264 -20.8261 -20.8261 -12.5142 -12.5142 -12.5140 -12.5140 -5.6582 -5.6582 -5.6578 -5.6578 -3.7173 -3.7173 -3.7147 -3.7147 -2.8329 -2.8329 -2.8320 -2.8320 0.6216 0.6216 0.6449 0.6449 1.0097 1.0097 1.0128 1.0128 1.5301 1.5301 1.5348 1.5348 1.7812 1.7812 1.8030 1.8030 2.2033 2.2033 2.2084 2.2084 2.7742 2.7742 2.8262 2.8262 3.3080 3.3080 3.3098 3.3098 3.4747 3.4747 3.4851 3.4851 6.7002 6.7002 6.7014 6.7014 9.3302 9.3302 9.3482 9.3482 9.8710 9.8710 k = 0.4432 0.3098-0.0000 ( 4398 PWs) bands (ev): -20.8268 -20.8268 -20.8264 -20.8264 -12.5149 -12.5149 -12.5146 -12.5146 -5.6613 -5.6613 -5.6609 -5.6609 -3.7125 -3.7125 -3.7092 -3.7092 -2.8339 -2.8339 -2.8327 -2.8327 0.6153 0.6153 0.6436 0.6436 1.0132 1.0132 1.0169 1.0169 1.5314 1.5314 1.5382 1.5382 1.7771 1.7771 1.8039 1.8039 2.2007 2.2007 2.2063 2.2063 2.7545 2.7545 2.8176 2.8176 3.3070 3.3070 3.3110 3.3110 3.4915 3.4915 3.5039 3.5039 6.7071 6.7071 6.7086 6.7086 9.2697 9.2697 9.2888 9.2888 9.9373 9.9373 k = 0.4318 0.3098-0.0000 ( 4398 PWs) bands (ev): -20.8273 -20.8273 -20.8268 -20.8268 -12.5157 -12.5157 -12.5154 -12.5154 -5.6652 -5.6652 -5.6646 -5.6646 -3.7066 -3.7066 -3.7026 -3.7026 -2.8350 -2.8350 -2.8337 -2.8337 0.6087 0.6087 0.6417 0.6417 1.0175 1.0175 1.0216 1.0216 1.5324 1.5324 1.5418 1.5418 1.7729 1.7729 1.8046 1.8046 2.1979 2.1979 2.2035 2.2035 2.7331 2.7331 2.8064 2.8064 3.3056 3.3056 3.3122 3.3122 3.5114 3.5114 3.5257 3.5257 6.7152 6.7152 6.7169 6.7169 9.2116 9.2116 9.2317 9.2317 10.0024 10.0024 k = 0.4205 0.3098-0.0000 ( 4414 PWs) bands (ev): -20.8278 -20.8278 -20.8273 -20.8273 -12.5166 -12.5166 -12.5163 -12.5163 -5.6696 -5.6696 -5.6691 -5.6691 -3.6996 -3.6996 -3.6950 -3.6950 -2.8364 -2.8364 -2.8348 -2.8348 0.6019 0.6019 0.6391 0.6391 1.0226 1.0226 1.0268 1.0268 1.5328 1.5328 1.5455 1.5455 1.7686 1.7686 1.8049 1.8049 2.1951 2.1951 2.2000 2.2000 2.7105 2.7105 2.7930 2.7930 3.3039 3.3039 3.3135 3.3135 3.5339 3.5339 3.5501 3.5501 6.7242 6.7242 6.7260 6.7260 9.1562 9.1562 9.1774 9.1774 10.0656 10.0656 k = 0.4091 0.3098-0.0000 ( 4414 PWs) bands (ev): -20.8284 -20.8284 -20.8278 -20.8278 -12.5177 -12.5177 -12.5173 -12.5173 -5.6747 -5.6747 -5.6741 -5.6741 -3.6915 -3.6915 -3.6863 -3.6863 -2.8379 -2.8379 -2.8361 -2.8361 0.5953 0.5953 0.6363 0.6363 1.0285 1.0285 1.0328 1.0328 1.5322 1.5322 1.5490 1.5490 1.7645 1.7645 1.8049 1.8049 2.1923 2.1923 2.1960 2.1960 2.6870 2.6870 2.7779 2.7779 3.3020 3.3020 3.3148 3.3148 3.5588 3.5588 3.5770 3.5770 6.7339 6.7339 6.7358 6.7358 9.1040 9.1040 9.1263 9.1263 10.1265 10.1265 k = 0.3977 0.3098-0.0000 ( 4418 PWs) bands (ev): -20.8291 -20.8291 -20.8285 -20.8285 -12.5189 -12.5189 -12.5185 -12.5185 -5.6804 -5.6804 -5.6797 -5.6797 -3.6824 -3.6824 -3.6767 -3.6767 -2.8397 -2.8397 -2.8377 -2.8377 0.5889 0.5889 0.6332 0.6332 1.0352 1.0352 1.0394 1.0394 1.5305 1.5305 1.5519 1.5519 1.7605 1.7605 1.8047 1.8047 2.1897 2.1897 2.1914 2.1914 2.6632 2.6632 2.7614 2.7614 3.3000 3.3000 3.3159 3.3159 3.5857 3.5857 3.6058 3.6058 6.7439 6.7439 6.7459 6.7459 9.0554 9.0554 9.0787 9.0787 10.1843 10.1843 k = 0.3864 0.3098-0.0000 ( 4410 PWs) bands (ev): -20.8299 -20.8299 -20.8292 -20.8292 -12.5202 -12.5202 -12.5197 -12.5197 -5.6867 -5.6867 -5.6859 -5.6859 -3.6723 -3.6723 -3.6660 -3.6660 -2.8416 -2.8416 -2.8394 -2.8394 0.5831 0.5831 0.6301 0.6301 1.0426 1.0426 1.0465 1.0465 1.5273 1.5273 1.5541 1.5541 1.7567 1.7567 1.8043 1.8043 2.1863 2.1863 2.1873 2.1873 2.6391 2.6391 2.7437 2.7437 3.2979 3.2979 3.3169 3.3169 3.6142 3.6142 3.6364 3.6364 6.7539 6.7539 6.7560 6.7560 9.0107 9.0107 9.0352 9.0352 10.2387 10.2387 k = 0.3750 0.3098-0.0000 ( 4414 PWs) bands (ev): -20.8307 -20.8307 -20.8299 -20.8299 -12.5216 -12.5216 -12.5211 -12.5211 -5.6934 -5.6934 -5.6926 -5.6926 -3.6613 -3.6613 -3.6545 -3.6545 -2.8436 -2.8436 -2.8413 -2.8413 0.5778 0.5778 0.6272 0.6272 1.0506 1.0506 1.0540 1.0540 1.5225 1.5225 1.5552 1.5552 1.7531 1.7531 1.8037 1.8037 2.1807 2.1807 2.1853 2.1853 2.6150 2.6150 2.7251 2.7251 3.2957 3.2957 3.3176 3.3176 3.6443 3.6443 3.6685 3.6685 6.7635 6.7635 6.7655 6.7655 8.9705 8.9705 8.9960 8.9960 10.2890 10.2890 k = 0.3636 0.3098-0.0000 ( 4416 PWs) bands (ev): -20.8316 -20.8316 -20.8307 -20.8307 -12.5231 -12.5231 -12.5226 -12.5226 -5.7007 -5.7007 -5.6998 -5.6998 -3.6493 -3.6493 -3.6420 -3.6420 -2.8459 -2.8459 -2.8434 -2.8434 0.5733 0.5733 0.6246 0.6246 1.0592 1.0592 1.0620 1.0620 1.5161 1.5161 1.5551 1.5551 1.7496 1.7496 1.8029 1.8029 2.1748 2.1748 2.1837 2.1837 2.5912 2.5912 2.7057 2.7057 3.2935 3.2935 3.3182 3.3182 3.6757 3.6757 3.7019 3.7019 6.7723 6.7723 6.7743 6.7743 8.9350 8.9350 8.9616 8.9616 10.3349 10.3349 k = 0.3523 0.3098-0.0000 ( 4420 PWs) bands (ev): -20.8325 -20.8325 -20.8316 -20.8316 -12.5248 -12.5248 -12.5242 -12.5242 -5.7085 -5.7085 -5.7075 -5.7075 -3.6365 -3.6365 -3.6287 -3.6287 -2.8483 -2.8483 -2.8457 -2.8457 0.5698 0.5698 0.6225 0.6225 1.0684 1.0684 1.0704 1.0704 1.5081 1.5081 1.5536 1.5536 1.7461 1.7461 1.8017 1.8017 2.1685 2.1685 2.1826 2.1826 2.5678 2.5678 2.6858 2.6858 3.2913 3.2913 3.3185 3.3185 3.7083 3.7083 3.7364 3.7364 6.7799 6.7799 6.7818 6.7818 8.9046 8.9046 8.9322 8.9322 10.3759 10.3759 k = 0.3409 0.3098-0.0000 ( 4428 PWs) bands (ev): -20.8335 -20.8335 -20.8325 -20.8325 -12.5265 -12.5265 -12.5259 -12.5259 -5.7166 -5.7166 -5.7156 -5.7156 -3.6228 -3.6228 -3.6147 -3.6147 -2.8509 -2.8509 -2.8481 -2.8481 0.5673 0.5673 0.6209 0.6209 1.0782 1.0782 1.0790 1.0790 1.4986 1.4986 1.5507 1.5507 1.7425 1.7425 1.8003 1.8003 2.1619 2.1619 2.1818 2.1818 2.5449 2.5449 2.6654 2.6654 3.2891 3.2891 3.3187 3.3187 3.7419 3.7419 3.7718 3.7718 6.7859 6.7859 6.7877 6.7877 8.8797 8.8797 8.9083 8.9083 10.4119 10.4119 k = 0.3295 0.3098-0.0000 ( 4428 PWs) bands (ev): -20.8345 -20.8345 -20.8335 -20.8335 -12.5282 -12.5282 -12.5276 -12.5276 -5.7252 -5.7252 -5.7241 -5.7241 -3.6084 -3.6084 -3.5999 -3.5999 -2.8537 -2.8537 -2.8508 -2.8508 0.5659 0.5659 0.6200 0.6200 1.0878 1.0878 1.0884 1.0884 1.4879 1.4879 1.5462 1.5462 1.7388 1.7388 1.7985 1.7985 2.1551 2.1551 2.1814 2.1814 2.5227 2.5227 2.6447 2.6447 3.2870 3.2870 3.3187 3.3187 3.7765 3.7765 3.8080 3.8080 6.7900 6.7900 6.7917 6.7917 8.8606 8.8606 8.8901 8.8901 10.4425 10.4425 k = 0.3182 0.3098-0.0000 ( 4426 PWs) bands (ev): -20.8355 -20.8355 -20.8345 -20.8345 -12.5301 -12.5301 -12.5294 -12.5294 -5.7341 -5.7341 -5.7330 -5.7330 -3.5933 -3.5933 -3.5844 -3.5844 -2.8566 -2.8566 -2.8536 -2.8536 0.5658 0.5658 0.6200 0.6200 1.0966 1.0966 1.0991 1.0991 1.4762 1.4762 1.5402 1.5402 1.7348 1.7348 1.7963 1.7963 2.1481 2.1481 2.1814 2.1814 2.5011 2.5011 2.6236 2.6236 3.2850 3.2850 3.3184 3.3184 3.8119 3.8119 3.8449 3.8449 6.7918 6.7918 6.7933 6.7933 8.8475 8.8475 8.8778 8.8778 10.4679 10.4679 k = 0.3068 0.3098-0.0000 ( 4430 PWs) bands (ev): -20.8366 -20.8366 -20.8355 -20.8355 -12.5320 -12.5320 -12.5313 -12.5313 -5.7432 -5.7432 -5.7422 -5.7422 -3.5775 -3.5775 -3.5684 -3.5684 -2.8598 -2.8598 -2.8566 -2.8566 0.5669 0.5669 0.6208 0.6208 1.1053 1.1053 1.1103 1.1103 1.4638 1.4638 1.5328 1.5328 1.7305 1.7305 1.7936 1.7936 2.1408 2.1408 2.1816 2.1816 2.4804 2.4804 2.6023 2.6023 3.2830 3.2830 3.3180 3.3180 3.8481 3.8481 3.8824 3.8824 6.7910 6.7910 6.7925 6.7925 8.8406 8.8406 8.8716 8.8716 10.4880 10.4880 k = 0.2955 0.3098-0.0000 ( 4430 PWs) bands (ev): -20.8377 -20.8377 -20.8366 -20.8366 -12.5339 -12.5339 -12.5333 -12.5333 -5.7527 -5.7527 -5.7516 -5.7516 -3.5611 -3.5611 -3.5517 -3.5517 -2.8630 -2.8630 -2.8598 -2.8598 0.5694 0.5694 0.6225 0.6225 1.1137 1.1137 1.1218 1.1218 1.4510 1.4510 1.5240 1.5240 1.7258 1.7258 1.7904 1.7904 2.1333 2.1333 2.1819 2.1819 2.4604 2.4604 2.5807 2.5807 3.2812 3.2812 3.3175 3.3175 3.8848 3.8848 3.9203 3.9203 6.7874 6.7874 6.7889 6.7889 8.8399 8.8399 8.8716 8.8716 10.5031 10.5031 k = 0.2841 0.3098-0.0000 ( 4430 PWs) bands (ev): -20.8388 -20.8388 -20.8377 -20.8377 -12.5359 -12.5359 -12.5352 -12.5352 -5.7623 -5.7623 -5.7612 -5.7612 -3.5442 -3.5442 -3.5346 -3.5346 -2.8665 -2.8665 -2.8632 -2.8632 0.5733 0.5733 0.6252 0.6252 1.1215 1.1215 1.1335 1.1335 1.4384 1.4384 1.5139 1.5139 1.7208 1.7208 1.7868 1.7868 2.1255 2.1255 2.1822 2.1822 2.4411 2.4411 2.5589 2.5589 3.2795 3.2795 3.3168 3.3168 3.9222 3.9222 3.9586 3.9586 6.7811 6.7811 6.7824 6.7824 8.8455 8.8455 8.8777 8.8777 10.5135 10.5135 k = 0.2727 0.3098-0.0000 ( 4434 PWs) bands (ev): -20.8399 -20.8399 -20.8388 -20.8388 -12.5379 -12.5379 -12.5372 -12.5372 -5.7720 -5.7720 -5.7709 -5.7709 -3.5268 -3.5268 -3.5171 -3.5171 -2.8700 -2.8700 -2.8668 -2.8668 0.5787 0.5787 0.6288 0.6288 1.1282 1.1282 1.1455 1.1455 1.4263 1.4263 1.5026 1.5026 1.7153 1.7153 1.7828 1.7828 2.1174 2.1174 2.1823 2.1823 2.4226 2.4226 2.5370 2.5370 3.2780 3.2780 3.3159 3.3159 3.9600 3.9600 3.9971 3.9971 6.7718 6.7718 6.7731 6.7731 8.8573 8.8573 8.8899 8.8899 10.5195 10.5195 k = 0.2614 0.3098-0.0000 ( 4428 PWs) bands (ev): -20.8411 -20.8411 -20.8400 -20.8400 -12.5400 -12.5400 -12.5393 -12.5393 -5.7819 -5.7819 -5.7808 -5.7808 -3.5091 -3.5091 -3.4992 -3.4992 -2.8738 -2.8738 -2.8705 -2.8705 0.5854 0.5854 0.6333 0.6333 1.1338 1.1338 1.1577 1.1577 1.4153 1.4153 1.4904 1.4904 1.7096 1.7096 1.7785 1.7785 2.1089 2.1089 2.1821 2.1821 2.4049 2.4049 2.5149 2.5149 3.2767 3.2767 3.3150 3.3150 3.9982 3.9982 4.0358 4.0358 6.7597 6.7597 6.7611 6.7611 8.8750 8.8750 8.9079 8.9079 10.5214 10.5214 k = 0.2500 0.3098-0.0000 ( 4428 PWs) bands (ev): -20.8422 -20.8422 -20.8411 -20.8411 -12.5420 -12.5420 -12.5413 -12.5413 -5.7918 -5.7918 -5.7907 -5.7907 -3.4910 -3.4910 -3.4810 -3.4810 -2.8777 -2.8777 -2.8744 -2.8744 0.5936 0.5936 0.6388 0.6388 1.1376 1.1376 1.1699 1.1699 1.4058 1.4058 1.4773 1.4773 1.7037 1.7037 1.7738 1.7738 2.1001 2.1001 2.1814 2.1814 2.3877 2.3877 2.4927 2.4927 3.2755 3.2755 3.3140 3.3140 4.0366 4.0366 4.0744 4.0744 6.7449 6.7449 6.7464 6.7464 8.8983 8.8983 8.9314 8.9314 10.5197 10.5197 k = 0.2386 0.3098-0.0000 ( 4424 PWs) bands (ev): -20.8434 -20.8434 -20.8423 -20.8423 -12.5440 -12.5440 -12.5433 -12.5433 -5.8017 -5.8017 -5.8007 -5.8007 -3.4726 -3.4726 -3.4627 -3.4627 -2.8818 -2.8818 -2.8785 -2.8785 0.6031 0.6031 0.6452 0.6452 1.1392 1.1392 1.1822 1.1822 1.3985 1.3985 1.4636 1.4636 1.6975 1.6975 1.7691 1.7691 2.0909 2.0909 2.1802 2.1802 2.3712 2.3712 2.4704 2.4704 3.2745 3.2745 3.3129 3.3129 4.0751 4.0751 4.1130 4.1130 6.7277 6.7277 6.7292 6.7292 8.9270 8.9270 8.9601 8.9601 10.5148 10.5148 k = 0.2273 0.3098-0.0000 ( 4420 PWs) bands (ev): -20.8445 -20.8445 -20.8434 -20.8434 -12.5461 -12.5461 -12.5454 -12.5454 -5.8116 -5.8116 -5.8105 -5.8105 -3.4541 -3.4541 -3.4442 -3.4442 -2.8860 -2.8860 -2.8827 -2.8827 0.6140 0.6140 0.6524 0.6524 1.1385 1.1385 1.1943 1.1943 1.3937 1.3937 1.4495 1.4495 1.6913 1.6913 1.7642 1.7642 2.0813 2.0813 2.1784 2.1784 2.3552 2.3552 2.4481 2.4481 3.2738 3.2738 3.3117 3.3117 4.1137 4.1137 4.1514 4.1514 6.7082 6.7082 6.7099 6.7099 8.9606 8.9606 8.9937 8.9937 10.5069 10.5069 k = 0.2159 0.3098-0.0000 ( 4404 PWs) bands (ev): -20.8456 -20.8456 -20.8445 -20.8445 -12.5481 -12.5481 -12.5474 -12.5474 -5.8213 -5.8213 -5.8203 -5.8203 -3.4354 -3.4354 -3.4256 -3.4256 -2.8903 -2.8903 -2.8871 -2.8871 0.6263 0.6263 0.6604 0.6604 1.1351 1.1351 1.2062 1.2062 1.3917 1.3917 1.4351 1.4351 1.6851 1.6851 1.7595 1.7595 2.0715 2.0715 2.1758 2.1758 2.3396 2.3396 2.4258 2.4258 3.2733 3.2733 3.3106 3.3106 4.1521 4.1521 4.1895 4.1895 6.6868 6.6868 6.6886 6.6886 8.9986 8.9986 9.0316 9.0316 10.4964 10.4964 k = 0.2045 0.3098-0.0000 ( 4414 PWs) bands (ev): -20.8467 -20.8467 -20.8457 -20.8457 -12.5500 -12.5500 -12.5493 -12.5493 -5.8309 -5.8309 -5.8299 -5.8299 -3.4167 -3.4167 -3.4070 -3.4070 -2.8948 -2.8948 -2.8917 -2.8917 0.6397 0.6397 0.6690 0.6690 1.1291 1.1291 1.2177 1.2177 1.3922 1.3922 1.4205 1.4205 1.6791 1.6791 1.7549 1.7549 2.0614 2.0614 2.1722 2.1722 2.3242 2.3242 2.4035 2.4035 3.2729 3.2729 3.3094 3.3094 4.1903 4.1903 4.2271 4.2271 6.6639 6.6639 6.6658 6.6658 9.0405 9.0405 9.0733 9.0733 10.4837 10.4837 k = 0.1932 0.3098-0.0000 ( 4414 PWs) bands (ev): -20.8478 -20.8478 -20.8468 -20.8468 -12.5519 -12.5519 -12.5513 -12.5513 -5.8403 -5.8403 -5.8394 -5.8394 -3.3981 -3.3981 -3.3886 -3.3886 -2.8995 -2.8995 -2.8965 -2.8965 0.6543 0.6543 0.6782 0.6782 1.1209 1.1209 1.2286 1.2286 1.3952 1.3952 1.4061 1.4061 1.6733 1.6733 1.7507 1.7507 2.0511 2.0511 2.1679 2.1679 2.3092 2.3092 2.3813 2.3813 3.2728 3.2728 3.3082 3.3082 4.2280 4.2280 4.2641 4.2641 6.6396 6.6396 6.6417 6.6417 9.0860 9.0860 9.1184 9.1184 10.4689 10.4689 k = 0.1818 0.3098-0.0000 ( 4416 PWs) bands (ev): -20.8489 -20.8489 -20.8478 -20.8478 -12.5538 -12.5538 -12.5531 -12.5531 -5.8495 -5.8495 -5.8485 -5.8485 -3.3796 -3.3796 -3.3703 -3.3703 -2.9043 -2.9043 -2.9014 -2.9014 0.6699 0.6699 0.6879 0.6879 1.1110 1.1110 1.2388 1.2388 1.3921 1.3921 1.4001 1.4001 1.6681 1.6681 1.7469 1.7469 2.0409 2.0409 2.1626 2.1626 2.2943 2.2943 2.3593 2.3593 3.2728 3.2728 3.3070 3.3070 4.2652 4.2652 4.3003 4.3003 6.6144 6.6144 6.6167 6.6167 9.1344 9.1344 9.1665 9.1665 10.4522 10.4522 k = 0.1705 0.3098-0.0000 ( 4412 PWs) bands (ev): -20.8499 -20.8499 -20.8489 -20.8489 -12.5556 -12.5556 -12.5550 -12.5550 -5.8583 -5.8583 -5.8574 -5.8574 -3.3613 -3.3613 -3.3523 -3.3523 -2.9092 -2.9092 -2.9065 -2.9065 0.6863 0.6863 0.6980 0.6980 1.0998 1.0998 1.2479 1.2479 1.3787 1.3787 1.4064 1.4064 1.6635 1.6635 1.7437 1.7437 2.0308 2.0308 2.1564 2.1564 2.2797 2.2797 2.3375 2.3375 3.2731 3.2731 3.3058 3.3058 4.3017 4.3017 4.3356 4.3356 6.5887 6.5887 6.5911 6.5911 9.1853 9.1853 9.2170 9.2170 10.4338 10.4338 k = 0.1591 0.3098-0.0000 ( 4408 PWs) bands (ev): -20.8508 -20.8508 -20.8499 -20.8499 -12.5573 -12.5573 -12.5567 -12.5567 -5.8669 -5.8669 -5.8660 -5.8660 -3.3433 -3.3433 -3.3346 -3.3346 -2.9143 -2.9143 -2.9117 -2.9117 0.7036 0.7036 0.7082 0.7082 1.0878 1.0878 1.2555 1.2555 1.3665 1.3665 1.4135 1.4135 1.6597 1.6597 1.7411 1.7411 2.0210 2.0210 2.1492 2.1492 2.2651 2.2651 2.3162 2.3162 3.2736 3.2736 3.3047 3.3047 4.3373 4.3373 4.3699 4.3699 6.5627 6.5627 6.5652 6.5652 9.2382 9.2382 9.2694 9.2694 10.4139 10.4139 k = 0.1477 0.3098-0.0000 ( 4408 PWs) bands (ev): -20.8517 -20.8517 -20.8508 -20.8508 -12.5590 -12.5590 -12.5584 -12.5584 -5.8750 -5.8750 -5.8742 -5.8742 -3.3257 -3.3257 -3.3173 -3.3173 -2.9194 -2.9194 -2.9170 -2.9170 0.7186 0.7186 0.7213 0.7213 1.0756 1.0756 1.2609 1.2609 1.3559 1.3559 1.4207 1.4207 1.6570 1.6570 1.7391 1.7391 2.0116 2.0116 2.1410 2.1410 2.2507 2.2507 2.2953 2.2953 3.2742 3.2742 3.3035 3.3035 4.3717 4.3717 4.4029 4.4029 6.5368 6.5368 6.5393 6.5393 9.2927 9.2927 9.3233 9.3233 10.3925 10.3925 k = 0.1364 0.3098-0.0000 ( 4408 PWs) bands (ev): -20.8526 -20.8526 -20.8518 -20.8518 -12.5605 -12.5605 -12.5600 -12.5600 -5.8827 -5.8827 -5.8819 -5.8819 -3.3085 -3.3085 -3.3005 -3.3005 -2.9247 -2.9247 -2.9224 -2.9224 0.7291 0.7291 0.7394 0.7394 1.0636 1.0636 1.2632 1.2632 1.3480 1.3480 1.4275 1.4275 1.6556 1.6556 1.7379 1.7379 2.0028 2.0028 2.1320 2.1320 2.2364 2.2364 2.2749 2.2749 3.2749 3.2749 3.3024 3.3024 4.4050 4.4050 4.4345 4.4345 6.5112 6.5112 6.5138 6.5138 9.3483 9.3483 9.3783 9.3783 10.3697 10.3697 k = 0.1250 0.3098-0.0000 ( 4412 PWs) bands (ev): -20.8534 -20.8534 -20.8526 -20.8526 -12.5620 -12.5620 -12.5615 -12.5615 -5.8899 -5.8899 -5.8892 -5.8892 -3.2919 -3.2919 -3.2843 -3.2843 -2.9300 -2.9300 -2.9279 -2.9279 0.7394 0.7394 0.7574 0.7574 1.0523 1.0523 1.2616 1.2616 1.3435 1.3435 1.4335 1.4335 1.6557 1.6557 1.7374 1.7374 1.9947 1.9947 2.1222 2.1222 2.2223 2.2223 2.2552 2.2552 3.2758 3.2758 3.3013 3.3013 4.4367 4.4367 4.4644 4.4644 6.4864 6.4864 6.4890 6.4890 9.4046 9.4046 9.4339 9.4339 10.3456 10.3456 k = 0.1136 0.3098-0.0000 ( 4412 PWs) bands (ev): -20.8542 -20.8542 -20.8534 -20.8534 -12.5633 -12.5633 -12.5629 -12.5629 -5.8966 -5.8966 -5.8960 -5.8960 -3.2759 -3.2759 -3.2689 -3.2689 -2.9353 -2.9353 -2.9335 -2.9335 0.7495 0.7495 0.7751 0.7751 1.0422 1.0422 1.2558 1.2558 1.3426 1.3426 1.4382 1.4382 1.6575 1.6575 1.7376 1.7376 1.9877 1.9877 2.1116 2.1116 2.2086 2.2086 2.2365 2.2365 3.2767 3.2767 3.3002 3.3002 4.4669 4.4669 4.4925 4.4925 6.4625 6.4625 6.4651 6.4651 9.4611 9.4611 9.4898 9.4898 10.3200 10.3200 k = 0.1023 0.3098-0.0000 ( 4412 PWs) bands (ev): -20.8548 -20.8548 -20.8542 -20.8542 -12.5646 -12.5646 -12.5642 -12.5642 -5.9028 -5.9028 -5.9022 -5.9022 -3.2607 -3.2607 -3.2542 -3.2542 -2.9407 -2.9407 -2.9390 -2.9390 0.7594 0.7594 0.7918 0.7918 1.0339 1.0339 1.2466 1.2466 1.3447 1.3447 1.4413 1.4413 1.6610 1.6610 1.7382 1.7382 1.9817 1.9817 2.1003 2.1003 2.1953 2.1953 2.2187 2.2187 3.2778 3.2778 3.2991 3.2991 4.4951 4.4951 4.5187 4.5187 6.4399 6.4399 6.4425 6.4425 9.5176 9.5176 9.5455 9.5455 10.2931 10.2931 k = 0.0909 0.3098-0.0000 ( 4412 PWs) bands (ev): -20.8555 -20.8555 -20.8549 -20.8549 -12.5657 -12.5657 -12.5653 -12.5653 -5.9084 -5.9084 -5.9079 -5.9079 -3.2464 -3.2464 -3.2405 -3.2405 -2.9459 -2.9459 -2.9445 -2.9445 0.7689 0.7689 0.8070 0.8070 1.0281 1.0281 1.2347 1.2347 1.3488 1.3488 1.4427 1.4427 1.6662 1.6662 1.7392 1.7392 1.9770 1.9770 2.0885 2.0885 2.1827 2.1827 2.2021 2.2021 3.2789 3.2789 3.2980 3.2980 4.5213 4.5213 4.5426 4.5426 6.4189 6.4189 6.4213 6.4213 9.5737 9.5737 9.6008 9.6008 10.2647 10.2647 k = 0.0795 0.3098-0.0000 ( 4412 PWs) bands (ev): -20.8560 -20.8560 -20.8555 -20.8555 -12.5667 -12.5667 -12.5664 -12.5664 -5.9135 -5.9135 -5.9130 -5.9130 -3.2332 -3.2332 -3.2278 -3.2278 -2.9510 -2.9510 -2.9498 -2.9498 0.7781 0.7781 0.8199 0.8199 1.0252 1.0252 1.2211 1.2211 1.3542 1.3542 1.4424 1.4424 1.6729 1.6729 1.7404 1.7404 1.9737 1.9737 2.0763 2.0763 2.1708 2.1708 2.1867 2.1867 3.2801 3.2801 3.2969 3.2969 4.5452 4.5452 4.5642 4.5642 6.3996 6.3996 6.4019 6.4019 9.6290 9.6290 9.6554 9.6554 10.2349 10.2349 k = 0.0682 0.3098-0.0000 ( 4402 PWs) bands (ev): -20.8565 -20.8565 -20.8560 -20.8560 -12.5676 -12.5676 -12.5673 -12.5673 -5.9179 -5.9179 -5.9175 -5.9175 -3.2210 -3.2210 -3.2163 -3.2163 -2.9558 -2.9558 -2.9549 -2.9549 0.7868 0.7868 0.8300 0.8300 1.0261 1.0261 1.2060 1.2060 1.3605 1.3605 1.4404 1.4404 1.6807 1.6807 1.7414 1.7414 1.9719 1.9719 2.0638 2.0638 2.1599 2.1599 2.1729 2.1729 3.2814 3.2814 3.2959 3.2959 4.5666 4.5666 4.5831 4.5831 6.3824 6.3824 6.3845 6.3845 9.6834 9.6834 9.7089 9.7089 10.2035 10.2035 k = 0.0568 0.3098-0.0000 ( 4410 PWs) bands (ev): -20.8569 -20.8569 -20.8565 -20.8565 -12.5683 -12.5683 -12.5681 -12.5681 -5.9216 -5.9216 -5.9213 -5.9213 -3.2102 -3.2102 -3.2062 -3.2062 -2.9603 -2.9603 -2.9596 -2.9596 0.7952 0.7952 0.8367 0.8367 1.0309 1.0309 1.1899 1.1899 1.3674 1.3674 1.4369 1.4369 1.6892 1.6892 1.7420 1.7420 1.9718 1.9718 2.0513 2.0513 2.1503 2.1503 2.1607 2.1607 3.2827 3.2827 3.2948 3.2948 4.5853 4.5853 4.5992 4.5992 6.3675 6.3675 6.3693 6.3693 9.7364 9.7364 9.7611 9.7611 10.1704 10.1704 k = 0.0455 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8572 -20.8572 -20.8569 -20.8569 -12.5690 -12.5690 -12.5688 -12.5688 -5.9247 -5.9247 -5.9244 -5.9244 -3.2010 -3.2010 -3.1976 -3.1976 -2.9643 -2.9643 -2.9637 -2.9637 0.8031 0.8031 0.8401 0.8401 1.0397 1.0397 1.1729 1.1729 1.3746 1.3746 1.4323 1.4323 1.6981 1.6981 1.7418 1.7418 1.9734 1.9734 2.0391 2.0391 2.1422 2.1422 2.1503 2.1503 3.2840 3.2840 3.2937 3.2937 4.6012 4.6012 4.6125 4.6125 6.3550 6.3550 6.3565 6.3565 9.7880 9.7880 9.8118 9.8118 10.1357 10.1357 k = 0.0341 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8575 -20.8575 -20.8572 -20.8572 -12.5694 -12.5694 -12.5693 -12.5693 -5.9271 -5.9271 -5.9269 -5.9269 -3.1934 -3.1934 -3.1908 -3.1908 -2.9676 -2.9676 -2.9672 -2.9672 0.8106 0.8106 0.8405 0.8405 1.0518 1.0518 1.1553 1.1553 1.3822 1.3822 1.4266 1.4266 1.7069 1.7069 1.7406 1.7406 1.9767 1.9767 2.0272 2.0272 2.1358 2.1358 2.1417 2.1417 3.2852 3.2852 3.2926 3.2926 4.6141 4.6141 4.6226 4.6226 6.3451 6.3451 6.3463 6.3463 9.8378 9.8378 9.8608 9.8608 10.0992 10.0992 k = 0.0227 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8576 -20.8576 -20.8575 -20.8575 -12.5698 -12.5698 -12.5697 -12.5697 -5.9289 -5.9289 -5.9287 -5.9287 -3.1877 -3.1877 -3.1859 -3.1859 -2.9701 -2.9701 -2.9698 -2.9698 0.8176 0.8176 0.8386 0.8386 1.0665 1.0665 1.1371 1.1371 1.3900 1.3900 1.4201 1.4201 1.7152 1.7152 1.7382 1.7382 1.9816 1.9816 2.0160 2.0160 2.1314 2.1314 2.1353 2.1353 3.2865 3.2865 3.2914 3.2914 4.6238 4.6238 4.6295 4.6295 6.3381 6.3381 6.3389 6.3389 9.8858 9.8858 9.9078 9.9078 10.0610 10.0610 k = 0.0114 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8577 -20.8577 -20.8576 -20.8576 -12.5700 -12.5700 -12.5699 -12.5699 -5.9299 -5.9299 -5.9298 -5.9298 -3.1840 -3.1840 -3.1831 -3.1831 -2.9716 -2.9716 -2.9715 -2.9715 0.8241 0.8241 0.8349 0.8349 1.0830 1.0830 1.1188 1.1188 1.3978 1.3978 1.4130 1.4130 1.7227 1.7227 1.7344 1.7344 1.9882 1.9882 2.0056 2.0056 2.1290 2.1290 2.1309 2.1309 3.2878 3.2878 3.2902 3.2902 4.6302 4.6302 4.6331 4.6331 6.3339 6.3339 6.3343 6.3343 9.9316 9.9316 9.9522 9.9522 10.0217 10.0217 k = 0.0000 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5700 -12.5700 -12.5700 -12.5700 -5.9302 -5.9302 -5.9302 -5.9302 -3.1825 -3.1825 -3.1825 -3.1825 -2.9721 -2.9721 -2.9721 -2.9721 0.8300 0.8300 0.8300 0.8300 1.1006 1.1006 1.1006 1.1006 1.4055 1.4055 1.4055 1.4055 1.7292 1.7292 1.7292 1.7292 1.9962 1.9962 1.9962 1.9962 2.1288 2.1288 2.1288 2.1288 3.2890 3.2890 3.2890 3.2890 4.6333 4.6333 4.6333 4.6333 6.3326 6.3326 6.3326 6.3326 9.9719 9.9719 9.9719 9.9719 10.0031 10.0031 k = 0.0000 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5700 -12.5700 -12.5700 -12.5700 -5.9302 -5.9302 -5.9302 -5.9302 -3.1825 -3.1825 -3.1825 -3.1825 -2.9721 -2.9721 -2.9721 -2.9721 0.8300 0.8300 0.8300 0.8300 1.1006 1.1006 1.1006 1.1006 1.4055 1.4055 1.4055 1.4055 1.7292 1.7292 1.7292 1.7292 1.9962 1.9962 1.9962 1.9962 2.1288 2.1288 2.1288 2.1288 3.2890 3.2890 3.2890 3.2890 4.6333 4.6333 4.6333 4.6333 6.3326 6.3326 6.3326 6.3326 9.9719 9.9719 9.9719 9.9719 10.0031 10.0031 k = 0.0000 0.2987-0.0000 ( 4396 PWs) bands (ev): -20.8585 -20.8585 -20.8569 -20.8569 -12.5743 -12.5743 -12.5657 -12.5657 -5.9350 -5.9350 -5.9254 -5.9254 -3.1850 -3.1850 -3.1799 -3.1799 -2.9885 -2.9885 -2.9555 -2.9555 0.8278 0.8278 0.8317 0.8317 1.0997 1.0997 1.1016 1.1016 1.3996 1.3996 1.4099 1.4099 1.7194 1.7194 1.7400 1.7400 1.9720 1.9720 2.0195 2.0195 2.1277 2.1277 2.1319 2.1319 3.2689 3.2689 3.3092 3.3092 4.6297 4.6297 4.6370 4.6370 6.3233 6.3233 6.3445 6.3445 9.9420 9.9420 9.9930 9.9930 9.9988 9.9988 k = 0.0000 0.2876-0.0000 ( 4392 PWs) bands (ev): -20.8594 -20.8594 -20.8560 -20.8560 -12.5785 -12.5785 -12.5614 -12.5614 -5.9399 -5.9399 -5.9207 -5.9207 -3.1875 -3.1875 -3.1774 -3.1774 -3.0047 -3.0047 -2.9388 -2.9388 0.8252 0.8252 0.8330 0.8330 1.0988 1.0988 1.1024 1.1024 1.3926 1.3926 1.4124 1.4124 1.7113 1.7113 1.7514 1.7514 1.9476 1.9476 2.0406 2.0406 2.1280 2.1280 2.1377 2.1377 3.2489 3.2489 3.3296 3.3296 4.6260 4.6260 4.6406 4.6406 6.3164 6.3164 6.3591 6.3591 9.9101 9.9101 9.9951 9.9951 10.0008 10.0008 k = 0.0000 0.2766-0.0000 ( 4390 PWs) bands (ev): -20.8602 -20.8602 -20.8552 -20.8552 -12.5827 -12.5827 -12.5572 -12.5572 -5.9447 -5.9447 -5.9160 -5.9160 -3.1900 -3.1900 -3.1749 -3.1749 -3.0206 -3.0206 -2.9219 -2.9219 0.8223 0.8223 0.8337 0.8337 1.0978 1.0978 1.1032 1.1032 1.3847 1.3847 1.4128 1.4128 1.7050 1.7050 1.7627 1.7627 1.9238 1.9238 2.0585 2.0585 2.1293 2.1293 2.1472 2.1472 3.2291 3.2291 3.3500 3.3500 4.6224 4.6224 4.6441 4.6441 6.3118 6.3118 6.3765 6.3765 9.8777 9.8777 9.9924 9.9924 10.0041 10.0041 k = 0.0000 0.2655-0.0000 ( 4386 PWs) bands (ev): -20.8610 -20.8610 -20.8544 -20.8544 -12.5868 -12.5868 -12.5530 -12.5530 -5.9495 -5.9495 -5.9114 -5.9114 -3.1925 -3.1925 -3.1725 -3.1725 -3.0361 -3.0361 -2.9050 -2.9050 0.8192 0.8192 0.8338 0.8338 1.0969 1.0969 1.1040 1.1040 1.3763 1.3763 1.4107 1.4107 1.7009 1.7009 1.7732 1.7732 1.9016 1.9016 2.0723 2.0723 2.1314 2.1314 2.1612 2.1612 3.2095 3.2095 3.3704 3.3704 4.6187 4.6187 4.6476 4.6476 6.3093 6.3093 6.3968 6.3968 9.8451 9.8451 9.9897 9.9897 10.0068 10.0068 k = 0.0000 0.2544-0.0000 ( 4414 PWs) bands (ev): -20.8619 -20.8619 -20.8536 -20.8536 -12.5909 -12.5909 -12.5488 -12.5488 -5.9544 -5.9544 -5.9069 -5.9069 -3.1949 -3.1949 -3.1701 -3.1701 -3.0514 -3.0514 -2.8882 -2.8882 0.8158 0.8158 0.8331 0.8331 1.0960 1.0960 1.1045 1.1045 1.3673 1.3673 1.4062 1.4062 1.6987 1.6987 1.7817 1.7817 1.8822 1.8822 2.0824 2.0824 2.1341 2.1341 2.1790 2.1790 3.1898 3.1898 3.3908 3.3908 4.6151 4.6151 4.6510 4.6510 6.3087 6.3087 6.4201 6.4201 9.8126 9.8126 9.9871 9.9871 10.0092 10.0092 k = 0.0000 0.2434-0.0000 ( 4414 PWs) bands (ev): -20.8627 -20.8627 -20.8528 -20.8528 -12.5949 -12.5949 -12.5446 -12.5446 -5.9591 -5.9591 -5.9025 -5.9025 -3.1973 -3.1973 -3.1677 -3.1677 -3.0662 -3.0662 -2.8713 -2.8713 0.8124 0.8124 0.8317 0.8317 1.0952 1.0952 1.1050 1.1050 1.3581 1.3581 1.3996 1.3996 1.6981 1.6981 1.7866 1.7866 1.8679 1.8679 2.0901 2.0901 2.1372 2.1372 2.1995 2.1995 3.1704 3.1704 3.4112 3.4112 4.6115 4.6115 4.6544 4.6544 6.3099 6.3099 6.4465 6.4465 9.7805 9.7805 9.9845 9.9845 10.0115 10.0115 k = 0.0000 0.2323-0.0000 ( 4414 PWs) bands (ev): -20.8635 -20.8635 -20.8520 -20.8520 -12.5988 -12.5988 -12.5406 -12.5406 -5.9638 -5.9638 -5.8982 -5.8982 -3.1997 -3.1997 -3.1654 -3.1654 -3.0806 -3.0806 -2.8546 -2.8546 0.8088 0.8088 0.8295 0.8295 1.0944 1.0944 1.1054 1.1054 1.3486 1.3486 1.3913 1.3913 1.6979 1.6979 1.7866 1.7866 1.8607 1.8607 2.0965 2.0965 2.1407 2.1407 2.2216 2.2216 3.1510 3.1510 3.4315 3.4315 4.6080 4.6080 4.6577 4.6577 6.3128 6.3128 6.4759 6.4759 9.7490 9.7490 9.9819 9.9819 10.0136 10.0136 k = 0.0000 0.2213-0.0000 ( 4410 PWs) bands (ev): -20.8643 -20.8643 -20.8512 -20.8512 -12.6027 -12.6027 -12.5366 -12.5366 -5.9684 -5.9684 -5.8940 -5.8940 -3.2020 -3.2020 -3.1631 -3.1631 -3.0946 -3.0946 -2.8380 -2.8380 0.8052 0.8052 0.8264 0.8264 1.0937 1.0937 1.1057 1.1057 1.3387 1.3387 1.3819 1.3819 1.6967 1.6967 1.7830 1.7830 1.8608 1.8608 2.1025 2.1025 2.1444 2.1444 2.2443 2.2443 3.1317 3.1317 3.4515 3.4515 4.6045 4.6045 4.6609 4.6609 6.3170 6.3170 6.5084 6.5084 9.7182 9.7182 9.9793 9.9793 10.0156 10.0156 k = 0.0000 0.2102-0.0000 ( 4410 PWs) bands (ev): -20.8650 -20.8650 -20.8505 -20.8505 -12.6064 -12.6064 -12.5327 -12.5327 -5.9729 -5.9729 -5.8900 -5.8900 -3.2043 -3.2043 -3.1609 -3.1609 -3.1081 -3.1081 -2.8216 -2.8216 0.8015 0.8015 0.8225 0.8225 1.0931 1.0931 1.1058 1.1058 1.3283 1.3283 1.3721 1.3721 1.6923 1.6923 1.7797 1.7797 1.8654 1.8654 2.1084 2.1084 2.1483 2.1483 2.2671 2.2671 3.1124 3.1124 3.4713 3.4713 4.6010 4.6010 4.6640 4.6640 6.3226 6.3226 6.5439 6.5439 9.6882 9.6882 9.9767 9.9767 10.0176 10.0176 k = 0.0000 0.1991-0.0000 ( 4408 PWs) bands (ev): -20.8658 -20.8658 -20.8498 -20.8498 -12.6099 -12.6099 -12.5289 -12.5289 -5.9773 -5.9773 -5.8862 -5.8862 -3.2065 -3.2065 -3.1587 -3.1587 -3.1210 -3.1210 -2.8055 -2.8055 0.7979 0.7979 0.8176 0.8176 1.0925 1.0925 1.1059 1.1059 1.3173 1.3173 1.3625 1.3625 1.6839 1.6839 1.7801 1.7801 1.8721 1.8721 2.1145 2.1145 2.1524 2.1524 2.2897 2.2897 3.0930 3.0930 3.4908 3.4908 4.5977 4.5977 4.6671 4.6671 6.3292 6.3292 6.5824 6.5824 9.6592 9.6592 9.9742 9.9742 10.0195 10.0195 k = 0.0000 0.1881-0.0000 ( 4402 PWs) bands (ev): -20.8665 -20.8665 -20.8491 -20.8491 -12.6134 -12.6134 -12.5253 -12.5253 -5.9816 -5.9816 -5.8825 -5.8825 -3.2087 -3.2087 -3.1567 -3.1567 -3.1335 -3.1335 -2.7898 -2.7898 0.7943 0.7943 0.8119 0.8119 1.0920 1.0920 1.1057 1.1057 1.3056 1.3056 1.3537 1.3537 1.6721 1.6721 1.7844 1.7844 1.8796 1.8796 2.1210 2.1210 2.1566 2.1566 2.3120 2.3120 3.0736 3.0736 3.5099 3.5099 4.5944 4.5944 4.6700 4.6700 6.3367 6.3367 6.6237 6.6237 9.6313 9.6313 9.9717 9.9717 10.0212 10.0212 k = 0.0000 0.1770-0.0000 ( 4388 PWs) bands (ev): -20.8671 -20.8671 -20.8484 -20.8484 -12.6167 -12.6167 -12.5218 -12.5218 -5.9857 -5.9857 -5.8789 -5.8789 -3.2107 -3.2107 -3.1547 -3.1547 -3.1453 -3.1453 -2.7744 -2.7744 0.7907 0.7907 0.8053 0.8053 1.0916 1.0916 1.1055 1.1055 1.2935 1.2935 1.3459 1.3459 1.6584 1.6584 1.7915 1.7915 1.8873 1.8873 2.1279 2.1279 2.1608 2.1608 2.3339 2.3339 3.0542 3.0542 3.5285 3.5285 4.5913 4.5913 4.6728 4.6728 6.3449 6.3449 6.6676 6.6676 9.6046 9.6046 9.9692 9.9692 10.0229 10.0229 k = 0.0000 0.1659-0.0000 ( 4384 PWs) bands (ev): -20.8678 -20.8678 -20.8478 -20.8478 -12.6198 -12.6198 -12.5184 -12.5184 -5.9897 -5.9897 -5.8756 -5.8756 -3.2127 -3.2127 -3.1566 -3.1566 -3.1528 -3.1528 -2.7596 -2.7596 0.7872 0.7872 0.7980 0.7980 1.0912 1.0912 1.1052 1.1052 1.2810 1.2810 1.3391 1.3391 1.6437 1.6437 1.8002 1.8002 1.8950 1.8950 2.1350 2.1350 2.1650 2.1650 2.3553 2.3553 3.0346 3.0346 3.5465 3.5465 4.5882 4.5882 4.6754 4.6754 6.3537 6.3537 6.7140 6.7140 9.5792 9.5792 9.9667 9.9667 10.0244 10.0244 k = 0.0000 0.1549-0.0000 ( 4390 PWs) bands (ev): -20.8684 -20.8684 -20.8472 -20.8472 -12.6228 -12.6228 -12.5152 -12.5152 -5.9935 -5.9935 -5.8724 -5.8724 -3.2146 -3.2146 -3.1672 -3.1672 -3.1510 -3.1510 -2.7453 -2.7453 0.7836 0.7836 0.7903 0.7903 1.0907 1.0907 1.1048 1.1048 1.2685 1.2685 1.3334 1.3334 1.6290 1.6290 1.8095 1.8095 1.9026 1.9026 2.1424 2.1424 2.1690 2.1690 2.3762 2.3762 3.0149 3.0149 3.5638 3.5638 4.5853 4.5853 4.6780 4.6780 6.3629 6.3629 6.7626 6.7626 9.5553 9.5553 9.9642 9.9642 10.0258 10.0258 k = 0.0000 0.1438-0.0000 ( 4384 PWs) bands (ev): -20.8690 -20.8690 -20.8466 -20.8466 -12.6257 -12.6257 -12.5121 -12.5121 -5.9971 -5.9971 -5.8694 -5.8694 -3.2164 -3.2164 -3.1772 -3.1772 -3.1493 -3.1493 -2.7315 -2.7315 0.7788 0.7788 0.7833 0.7833 1.0903 1.0903 1.1043 1.1043 1.2564 1.2564 1.3285 1.3285 1.6148 1.6148 1.8188 1.8188 1.9102 1.9102 2.1500 2.1500 2.1730 2.1730 2.3967 2.3967 2.9951 2.9951 3.5804 3.5804 4.5825 4.5825 4.6804 4.6804 6.3724 6.3724 6.8130 6.8130 9.5328 9.5328 9.9616 9.9616 10.0269 10.0269 k = 0.0000 0.1328-0.0000 ( 4384 PWs) bands (ev): -20.8696 -20.8696 -20.8461 -20.8461 -12.6283 -12.6283 -12.5092 -12.5092 -6.0005 -6.0005 -5.8666 -5.8666 -3.2181 -3.2181 -3.1866 -3.1866 -3.1477 -3.1477 -2.7185 -2.7185 0.7709 0.7709 0.7791 0.7791 1.0898 1.0898 1.1039 1.1039 1.2448 1.2448 1.3244 1.3244 1.6012 1.6012 1.8276 1.8276 1.9178 1.9178 2.1577 2.1577 2.1769 2.1769 2.4168 2.4168 2.9751 2.9751 3.5962 3.5962 4.5798 4.5798 4.6826 4.6826 6.3818 6.3818 6.8648 6.8648 9.5119 9.5119 9.9584 9.9584 10.0186 10.0186 k = 0.0000 0.1217-0.0000 ( 4386 PWs) bands (ev): -20.8701 -20.8701 -20.8456 -20.8456 -12.6308 -12.6308 -12.5066 -12.5066 -6.0036 -6.0036 -5.8640 -5.8640 -3.2197 -3.2197 -3.1952 -3.1952 -3.1462 -3.1462 -2.7062 -2.7062 0.7618 0.7618 0.7760 0.7760 1.0892 1.0892 1.1035 1.1035 1.2340 1.2340 1.3211 1.3211 1.5885 1.5885 1.8358 1.8358 1.9254 1.9254 2.1654 2.1654 2.1805 2.1805 2.4365 2.4365 2.9550 2.9550 3.6110 3.6110 4.5773 4.5773 4.6847 4.6847 6.3912 6.3912 6.9176 6.9176 9.4926 9.4926 9.9492 9.9492 9.9749 9.9749 k = 0.0000 0.1106-0.0000 ( 4394 PWs) bands (ev): -20.8705 -20.8705 -20.8451 -20.8451 -12.6331 -12.6331 -12.5041 -12.5041 -6.0066 -6.0066 -5.8617 -5.8617 -3.2212 -3.2212 -3.2031 -3.2031 -3.1449 -3.1449 -2.6947 -2.6947 0.7524 0.7524 0.7733 0.7733 1.0886 1.0886 1.1032 1.1032 1.2240 1.2240 1.3181 1.3181 1.5769 1.5769 1.8429 1.8429 1.9329 1.9329 2.1729 2.1729 2.1841 2.1841 2.4557 2.4557 2.9349 2.9349 3.6249 3.6249 4.5750 4.5750 4.6866 4.6866 6.4003 6.4003 6.9707 6.9707 9.4749 9.4749 9.9041 9.9041 9.9601 9.9601 k = 0.0000 0.0996-0.0000 ( 4388 PWs) bands (ev): -20.8710 -20.8710 -20.8447 -20.8447 -12.6351 -12.6351 -12.5018 -12.5018 -6.0093 -6.0093 -5.8595 -5.8595 -3.2227 -3.2227 -3.2102 -3.2102 -3.1436 -3.1436 -2.6841 -2.6841 0.7432 0.7432 0.7709 0.7709 1.0878 1.0878 1.1030 1.1030 1.2150 1.2150 1.3158 1.3158 1.5663 1.5663 1.8492 1.8492 1.9404 1.9404 2.1801 2.1801 2.1875 2.1875 2.4747 2.4747 2.9148 2.9148 3.6377 3.6377 4.5729 4.5729 4.6884 4.6884 6.4091 6.4091 7.0234 7.0234 9.4589 9.4589 9.8446 9.8446 9.9568 9.9568 k = 0.0000 0.0885-0.0000 ( 4386 PWs) bands (ev): -20.8714 -20.8714 -20.8443 -20.8443 -12.6370 -12.6370 -12.4998 -12.4998 -6.0117 -6.0117 -5.8576 -5.8576 -3.2243 -3.2243 -3.2163 -3.2163 -3.1425 -3.1425 -2.6744 -2.6744 0.7342 0.7342 0.7688 0.7688 1.0871 1.0871 1.1028 1.1028 1.2069 1.2069 1.3140 1.3140 1.5567 1.5567 1.8544 1.8544 1.9476 1.9476 2.1865 2.1865 2.1912 2.1912 2.4932 2.4932 2.8949 2.8949 3.6494 3.6494 4.5709 4.5709 4.6900 4.6900 6.4173 6.4173 7.0750 7.0750 9.4446 9.4446 9.7831 9.7831 9.9547 9.9547 k = 0.0000 0.0774-0.0000 ( 4382 PWs) bands (ev): -20.8717 -20.8717 -20.8440 -20.8440 -12.6387 -12.6387 -12.4979 -12.4979 -6.0139 -6.0139 -5.8558 -5.8558 -3.2265 -3.2265 -3.2210 -3.2210 -3.1415 -3.1415 -2.6657 -2.6657 0.7258 0.7258 0.7669 0.7669 1.0863 1.0863 1.1028 1.1028 1.1999 1.1999 1.3125 1.3125 1.5482 1.5482 1.8587 1.8587 1.9543 1.9543 2.1912 2.1912 2.1958 2.1958 2.5112 2.5112 2.8752 2.8752 3.6599 3.6599 4.5692 4.5692 4.6914 4.6914 6.4249 6.4249 7.1245 7.1245 9.4320 9.4320 9.7223 9.7223 9.9531 9.9531 k = 0.0000 0.0664-0.0000 ( 4392 PWs) bands (ev): -20.8720 -20.8720 -20.8437 -20.8437 -12.6401 -12.6401 -12.4963 -12.4963 -6.0158 -6.0158 -5.8543 -5.8543 -3.2298 -3.2298 -3.2237 -3.2237 -3.1406 -3.1406 -2.6581 -2.6581 0.7181 0.7181 0.7652 0.7652 1.0855 1.0855 1.1028 1.1028 1.1937 1.1937 1.3113 1.3113 1.5409 1.5409 1.8622 1.8622 1.9605 1.9605 2.1942 2.1942 2.2013 2.2013 2.5286 2.5286 2.8561 2.8561 3.6690 3.6690 4.5677 4.5677 4.6926 4.6926 6.4317 6.4317 7.1710 7.1710 9.4211 9.4211 9.6643 9.6643 9.9517 9.9517 k = 0.0000 0.0553-0.0000 ( 4396 PWs) bands (ev): -20.8723 -20.8723 -20.8435 -20.8435 -12.6414 -12.6414 -12.4950 -12.4950 -6.0175 -6.0175 -5.8531 -5.8531 -3.2335 -3.2335 -3.2251 -3.2251 -3.1399 -3.1399 -2.6515 -2.6515 0.7112 0.7112 0.7637 0.7637 1.0847 1.0847 1.1029 1.1029 1.1885 1.1885 1.3104 1.3104 1.5347 1.5347 1.8650 1.8650 1.9658 1.9658 2.1964 2.1964 2.2065 2.2065 2.5453 2.5453 2.8379 2.8379 3.6769 3.6769 4.5664 4.5664 4.6937 4.6937 6.4376 6.4376 7.2132 7.2132 9.4119 9.4119 9.6112 9.6112 9.9505 9.9505 k = 0.0000 0.0443-0.0000 ( 4395 PWs) bands (ev): -20.8725 -20.8725 -20.8433 -20.8433 -12.6424 -12.6424 -12.4938 -12.4938 -6.0188 -6.0188 -5.8520 -5.8520 -3.2368 -3.2368 -3.2260 -3.2260 -3.1392 -3.1392 -2.6461 -2.6461 0.7054 0.7054 0.7626 0.7626 1.0840 1.0840 1.1030 1.1030 1.1844 1.1844 1.3097 1.3097 1.5296 1.5296 1.8671 1.8671 1.9704 1.9704 2.1982 2.1982 2.2110 2.2110 2.5607 2.5607 2.8211 2.8211 3.6835 3.6835 4.5653 4.5653 4.6945 4.6945 6.4426 6.4426 7.2501 7.2501 9.4044 9.4044 9.5646 9.5646 9.9496 9.9496 k = 0.0000 0.0332-0.0000 ( 4401 PWs) bands (ev): -20.8727 -20.8727 -20.8431 -20.8431 -12.6432 -12.6432 -12.4930 -12.4930 -6.0198 -6.0198 -5.8512 -5.8512 -3.2395 -3.2395 -3.2266 -3.2266 -3.1388 -3.1388 -2.6419 -2.6419 0.7007 0.7007 0.7617 0.7617 1.0834 1.0834 1.1031 1.1031 1.1811 1.1811 1.3091 1.3091 1.5256 1.5256 1.8687 1.8687 1.9740 1.9740 2.1996 2.1996 2.2147 2.2147 2.5742 2.5742 2.8063 2.8063 3.6886 3.6886 4.5644 4.5644 4.6952 4.6952 6.4466 6.4466 7.2803 7.2803 9.3985 9.3985 9.5264 9.5264 9.9488 9.9488 k = 0.0000 0.0221-0.0000 ( 4397 PWs) bands (ev): -20.8728 -20.8728 -20.8430 -20.8430 -12.6437 -12.6437 -12.4923 -12.4923 -6.0206 -6.0206 -5.8506 -5.8506 -3.2414 -3.2414 -3.2270 -3.2270 -3.1384 -3.1384 -2.6388 -2.6388 0.6973 0.6973 0.7610 0.7610 1.0830 1.0830 1.1032 1.1032 1.1788 1.1788 1.3088 1.3088 1.5228 1.5228 1.8698 1.8698 1.9767 1.9767 2.2006 2.2006 2.2174 2.2174 2.5851 2.5851 2.7945 2.7945 3.6923 3.6923 4.5638 4.5638 4.6957 4.6957 6.4494 6.4494 7.3029 7.3029 9.3944 9.3944 9.4979 9.4979 9.9483 9.9483 k = 0.0000 0.0111-0.0000 ( 4401 PWs) bands (ev): -20.8729 -20.8729 -20.8429 -20.8429 -12.6441 -12.6441 -12.4920 -12.4920 -6.0210 -6.0210 -5.8503 -5.8503 -3.2425 -3.2425 -3.2273 -3.2273 -3.1382 -3.1382 -2.6369 -2.6369 0.6952 0.6952 0.7606 0.7606 1.0827 1.0827 1.1033 1.1033 1.1774 1.1774 1.3086 1.3086 1.5211 1.5211 1.8705 1.8705 1.9783 1.9783 2.2012 2.2012 2.2190 2.2190 2.5924 2.5924 2.7867 2.7867 3.6945 3.6945 4.5634 4.5634 4.6960 4.6960 6.4512 6.4512 7.3168 7.3168 9.3919 9.3919 9.4803 9.4803 9.9480 9.9480 k = 0.0000 0.0000 0.0000 ( 4403 PWs) bands (ev): -20.8729 -20.8729 -20.8429 -20.8429 -12.6442 -12.6442 -12.4918 -12.4918 -6.0212 -6.0212 -5.8502 -5.8502 -3.2429 -3.2429 -3.2274 -3.2274 -3.1381 -3.1381 -2.6363 -2.6363 0.6946 0.6946 0.7605 0.7605 1.0826 1.0826 1.1033 1.1033 1.1770 1.1770 1.3086 1.3086 1.5205 1.5205 1.8707 1.8707 1.9788 1.9788 2.2013 2.2013 2.2196 2.2196 2.5949 2.5949 2.7839 2.7839 3.6952 3.6952 4.5633 4.5633 4.6961 4.6961 6.4518 6.4518 7.3215 7.3215 9.3910 9.3910 9.4744 9.4744 9.9479 9.9479 k = 0.0000 0.0000 0.0000 ( 4403 PWs) bands (ev): -20.8729 -20.8729 -20.8429 -20.8429 -12.6442 -12.6442 -12.4918 -12.4918 -6.0212 -6.0212 -5.8502 -5.8502 -3.2429 -3.2429 -3.2274 -3.2274 -3.1381 -3.1381 -2.6363 -2.6363 0.6946 0.6946 0.7605 0.7605 1.0826 1.0826 1.1033 1.1033 1.1770 1.1770 1.3086 1.3086 1.5205 1.5205 1.8707 1.8707 1.9788 1.9788 2.2013 2.2013 2.2196 2.2196 2.5949 2.5949 2.7839 2.7839 3.6952 3.6952 4.5633 4.5633 4.6961 4.6961 6.4518 6.4518 7.3215 7.3215 9.3910 9.3910 9.4744 9.4744 9.9479 9.9479 k = 0.0000 0.0000 0.0110 ( 4399 PWs) bands (ev): -20.8729 -20.8729 -20.8429 -20.8429 -12.6442 -12.6442 -12.4919 -12.4919 -6.0208 -6.0208 -5.8500 -5.8500 -3.2429 -3.2429 -3.2276 -3.2276 -3.1382 -3.1382 -2.6364 -2.6364 0.6937 0.6937 0.7595 0.7595 1.0828 1.0828 1.1049 1.1049 1.1770 1.1770 1.3092 1.3092 1.5206 1.5206 1.8709 1.8709 1.9791 1.9791 2.2001 2.2001 2.2203 2.2203 2.5956 2.5956 2.7836 2.7836 3.6928 3.6928 4.5611 4.5611 4.6937 4.6937 6.4537 6.4537 7.3257 7.3257 9.3916 9.3916 9.4753 9.4753 9.9507 9.9507 k = 0.0000 0.0000 0.0220 ( 4402 PWs) bands (ev): -20.8728 -20.8728 -20.8429 -20.8429 -12.6443 -12.6443 -12.4921 -12.4921 -6.0196 -6.0196 -5.8493 -5.8493 -3.2428 -3.2428 -3.2282 -3.2282 -3.1384 -3.1384 -2.6365 -2.6365 0.6910 0.6910 0.7567 0.7567 1.0837 1.0837 1.1095 1.1095 1.1772 1.1772 1.3110 1.3110 1.5210 1.5210 1.8715 1.8715 1.9799 1.9799 2.1969 2.1969 2.2220 2.2220 2.5977 2.5977 2.7824 2.7824 3.6857 3.6857 4.5543 4.5543 4.6866 4.6866 6.4596 6.4596 7.3382 7.3382 9.3936 9.3936 9.4779 9.4779 9.9591 9.9591 k = 0.0000 0.0000 0.0330 ( 4398 PWs) bands (ev): -20.8728 -20.8728 -20.8430 -20.8430 -12.6445 -12.6445 -12.4924 -12.4924 -6.0177 -6.0177 -5.8483 -5.8483 -3.2427 -3.2427 -3.2293 -3.2293 -3.1386 -3.1386 -2.6366 -2.6366 0.6867 0.6867 0.7519 0.7519 1.0857 1.0857 1.1165 1.1165 1.1776 1.1776 1.3140 1.3140 1.5217 1.5217 1.8725 1.8725 1.9813 1.9813 2.1925 2.1925 2.2240 2.2240 2.6011 2.6011 2.7805 2.7805 3.6739 3.6739 4.5431 4.5431 4.6748 4.6748 6.4693 6.4693 7.3589 7.3589 9.3967 9.3967 9.4823 9.4823 9.9729 9.9729 k = 0.0000 0.0000 0.0440 ( 4396 PWs) bands (ev): -20.8727 -20.8727 -20.8430 -20.8430 -12.6448 -12.6448 -12.4929 -12.4929 -6.0150 -6.0150 -5.8469 -5.8469 -3.2425 -3.2425 -3.2307 -3.2307 -3.1391 -3.1391 -2.6369 -2.6369 0.6806 0.6806 0.7453 0.7453 1.0891 1.0891 1.1257 1.1257 1.1782 1.1782 1.3181 1.3181 1.5227 1.5227 1.8739 1.8739 1.9833 1.9833 2.1873 2.1873 2.2259 2.2259 2.6057 2.6057 2.7779 2.7779 3.6577 3.6577 4.5277 4.5277 4.6585 4.6585 6.4828 6.4828 7.3877 7.3877 9.4011 9.4011 9.4882 9.4882 9.9921 9.9921 k = 0.0000 0.0000 0.0550 ( 4396 PWs) bands (ev): -20.8725 -20.8725 -20.8431 -20.8431 -12.6451 -12.6451 -12.4935 -12.4935 -6.0116 -6.0116 -5.8451 -5.8451 -3.2423 -3.2423 -3.2325 -3.2325 -3.1396 -3.1396 -2.6372 -2.6372 0.6729 0.6729 0.7370 0.7370 1.0940 1.0940 1.1365 1.1365 1.1790 1.1790 1.3235 1.3235 1.5240 1.5240 1.8756 1.8756 1.9857 1.9857 2.1818 2.1818 2.2276 2.2276 2.6113 2.6113 2.7745 2.7745 3.6373 3.6373 4.5082 4.5082 4.6380 4.6380 6.4998 6.4998 7.4241 7.4241 9.4067 9.4067 9.4954 9.4954 10.0162 10.0162 k = 0.0000 0.0000 0.0660 ( 4404 PWs) bands (ev): -20.8724 -20.8724 -20.8432 -20.8432 -12.6454 -12.6454 -12.4942 -12.4942 -6.0076 -6.0076 -5.8430 -5.8430 -3.2422 -3.2422 -3.2345 -3.2345 -3.1402 -3.1402 -2.6375 -2.6375 0.6635 0.6635 0.7272 0.7272 1.1004 1.1004 1.1488 1.1488 1.1802 1.1802 1.3299 1.3299 1.5257 1.5257 1.8777 1.8777 1.9886 1.9886 2.1759 2.1759 2.2290 2.2290 2.6179 2.6179 2.7705 2.7705 3.6131 3.6131 4.4848 4.4848 4.6133 4.6133 6.5202 6.5202 7.4678 7.4678 9.4134 9.4134 9.5037 9.5037 10.0451 10.0451 k = 0.0000 0.0000 0.0770 ( 4400 PWs) bands (ev): -20.8722 -20.8722 -20.8433 -20.8433 -12.6459 -12.6459 -12.4950 -12.4950 -6.0028 -6.0028 -5.8405 -5.8405 -3.2424 -3.2424 -3.2364 -3.2364 -3.1410 -3.1410 -2.6379 -2.6379 0.6527 0.6527 0.7159 0.7159 1.1084 1.1084 1.1618 1.1618 1.1823 1.1823 1.3375 1.3375 1.5278 1.5278 1.8802 1.8802 1.9921 1.9921 2.1701 2.1701 2.2301 2.2301 2.6252 2.6252 2.7659 2.7659 3.5855 3.5855 4.4580 4.4580 4.5850 4.5850 6.5438 6.5438 7.5185 7.5185 9.4212 9.4212 9.5128 9.5128 10.0783 10.0783 k = 0.0000 0.0000 0.0880 ( 4398 PWs) bands (ev): -20.8720 -20.8720 -20.8435 -20.8435 -12.6463 -12.6463 -12.4959 -12.4959 -5.9975 -5.9975 -5.8378 -5.8378 -3.2434 -3.2434 -3.2379 -3.2379 -3.1418 -3.1418 -2.6383 -2.6383 0.6404 0.6404 0.7033 0.7033 1.1179 1.1179 1.1728 1.1728 1.1878 1.1878 1.3463 1.3463 1.5305 1.5305 1.8829 1.8829 1.9959 1.9959 2.1642 2.1642 2.2309 2.2309 2.6331 2.6331 2.7608 2.7608 3.5549 3.5549 4.4279 4.4279 4.5533 4.5533 6.5703 6.5703 7.5757 7.5757 9.4300 9.4300 9.5221 9.5221 10.1154 10.1154 k = 0.0000 0.0000 0.0991 ( 4396 PWs) bands (ev): -20.8717 -20.8717 -20.8436 -20.8436 -12.6469 -12.6469 -12.4968 -12.4968 -5.9917 -5.9917 -5.8348 -5.8348 -3.2454 -3.2454 -3.2384 -3.2384 -3.1428 -3.1428 -2.6388 -2.6388 0.6269 0.6269 0.6896 0.6896 1.1286 1.1286 1.1783 1.1783 1.2001 1.2001 1.3559 1.3559 1.5338 1.5338 1.8859 1.8859 2.0002 2.0002 2.1585 2.1585 2.2315 2.2315 2.6415 2.6415 2.7552 2.7552 3.5217 3.5217 4.3951 4.3951 4.5186 4.5186 6.5994 6.5994 7.6390 7.6390 9.4397 9.4397 9.5314 9.5314 10.1559 10.1559 k = 0.0000 0.0000 0.1101 ( 4396 PWs) bands (ev): -20.8715 -20.8715 -20.8438 -20.8438 -12.6474 -12.6474 -12.4979 -12.4979 -5.9853 -5.9853 -5.8317 -5.8317 -3.2483 -3.2483 -3.2383 -3.2383 -3.1439 -3.1439 -2.6394 -2.6394 0.6122 0.6122 0.6751 0.6751 1.1402 1.1402 1.1811 1.1811 1.2162 1.2162 1.3665 1.3665 1.5378 1.5378 1.8892 1.8892 2.0049 2.0049 2.1531 2.1531 2.2319 2.2319 2.6501 2.6501 2.7492 2.7492 3.4863 3.4863 4.3598 4.3598 4.4812 4.4812 6.6308 6.6308 7.7078 7.7078 9.4503 9.4503 9.5400 9.5400 10.1991 10.1991 k = 0.0000 0.0000 0.1211 ( 4402 PWs) bands (ev): -20.8712 -20.8712 -20.8440 -20.8440 -12.6480 -12.6480 -12.4990 -12.4990 -5.9786 -5.9786 -5.8284 -5.8284 -3.2515 -3.2515 -3.2379 -3.2379 -3.1450 -3.1450 -2.6399 -2.6399 0.5965 0.5965 0.6600 0.6600 1.1522 1.1522 1.1841 1.1841 1.2336 1.2336 1.3779 1.3779 1.5427 1.5427 1.8926 1.8926 2.0098 2.0098 2.1480 2.1480 2.2322 2.2322 2.6588 2.6588 2.7430 2.7430 3.4491 3.4491 4.3225 4.3225 4.4416 4.4416 6.6641 6.6641 7.7817 7.7817 9.4617 9.4617 9.5475 9.5475 10.2440 10.2440 k = 0.0000 0.0000 0.1321 ( 4406 PWs) bands (ev): -20.8709 -20.8709 -20.8442 -20.8442 -12.6486 -12.6486 -12.5002 -12.5002 -5.9716 -5.9716 -5.8250 -5.8250 -3.2549 -3.2549 -3.2374 -3.2374 -3.1463 -3.1463 -2.6405 -2.6405 0.5801 0.5801 0.6444 0.6444 1.1632 1.1632 1.1888 1.1888 1.2514 1.2514 1.3901 1.3901 1.5486 1.5486 1.8963 1.8963 2.0151 2.0151 2.1433 2.1433 2.2324 2.2324 2.6675 2.6675 2.7365 2.7365 3.4107 3.4107 4.2836 4.2836 4.4003 4.4003 6.6989 6.6989 7.8601 7.8601 9.4738 9.4738 9.5534 9.5534 10.2888 10.2888 k = 0.0000 0.0000 0.1431 ( 4394 PWs) bands (ev): -20.8706 -20.8706 -20.8444 -20.8444 -12.6492 -12.6492 -12.5013 -12.5013 -5.9643 -5.9643 -5.8216 -5.8216 -3.2583 -3.2583 -3.2368 -3.2368 -3.1476 -3.1476 -2.6411 -2.6411 0.5632 0.5632 0.6285 0.6285 1.1711 1.1711 1.1973 1.1973 1.2692 1.2692 1.4029 1.4029 1.5557 1.5557 1.9001 1.9001 2.0207 2.0207 2.1390 2.1390 2.2325 2.2325 2.6761 2.6761 2.7301 2.7301 3.3714 3.3714 4.2436 4.2436 4.3576 4.3576 6.7350 6.7350 7.9426 7.9426 9.4866 9.4866 9.5571 9.5571 10.3310 10.3310 k = 0.0000 0.0000 0.1541 ( 4398 PWs) bands (ev): -20.8703 -20.8703 -20.8446 -20.8446 -12.6498 -12.6498 -12.5025 -12.5025 -5.9568 -5.9568 -5.8182 -5.8182 -3.2619 -3.2619 -3.2362 -3.2362 -3.1489 -3.1489 -2.6417 -2.6417 0.5458 0.5458 0.6127 0.6127 1.1754 1.1754 1.2098 1.2098 1.2865 1.2865 1.4162 1.4162 1.5640 1.5640 1.9040 1.9040 2.0264 2.0264 2.1353 2.1353 2.2326 2.2326 2.6844 2.6844 2.7237 2.7237 3.3316 3.3316 4.2030 4.2030 4.3141 4.3141 6.7717 6.7717 8.0286 8.0286 9.5000 9.5000 9.5583 9.5583 10.3706 10.3706 k = 0.0000 0.0000 0.1651 ( 4398 PWs) bands (ev): -20.8700 -20.8700 -20.8448 -20.8448 -12.6505 -12.6505 -12.5037 -12.5037 -5.9493 -5.9493 -5.8148 -5.8148 -3.2654 -3.2654 -3.2356 -3.2356 -3.1503 -3.1503 -2.6423 -2.6423 0.5284 0.5284 0.5970 0.5970 1.1778 1.1778 1.2246 1.2246 1.3029 1.3029 1.4299 1.4299 1.5736 1.5736 1.9079 1.9079 2.0322 2.0322 2.1321 2.1321 2.2327 2.2327 2.6924 2.6924 2.7175 2.7175 3.2917 3.2917 4.1621 4.1621 4.2703 4.2703 6.8088 6.8088 8.1176 8.1176 9.5140 9.5140 9.5567 9.5567 10.4088 10.4088 k = 0.0000 0.0000 0.1761 ( 4400 PWs) bands (ev): -20.8697 -20.8697 -20.8450 -20.8450 -12.6511 -12.6511 -12.5049 -12.5049 -5.9417 -5.9417 -5.8115 -5.8115 -3.2688 -3.2688 -3.2349 -3.2349 -3.1516 -3.1516 -2.6429 -2.6429 0.5111 0.5111 0.5817 0.5817 1.1794 1.1794 1.2402 1.2402 1.3182 1.3182 1.4437 1.4437 1.5845 1.5845 1.9119 1.9119 2.0381 2.0381 2.1295 2.1295 2.2328 2.2328 2.6997 2.6997 2.7120 2.7120 3.2521 3.2521 4.1216 4.1216 4.2265 4.2265 6.8458 6.8458 8.2089 8.2089 9.5286 9.5286 9.5523 9.5523 10.4459 10.4459 k = 0.0000 0.0000 0.1871 ( 4384 PWs) bands (ev): -20.8694 -20.8694 -20.8452 -20.8452 -12.6517 -12.6517 -12.5061 -12.5061 -5.9343 -5.9343 -5.8084 -5.8084 -3.2721 -3.2721 -3.2343 -3.2343 -3.1530 -3.1530 -2.6435 -2.6435 0.4942 0.4942 0.5669 0.5669 1.1807 1.1807 1.2561 1.2561 1.3322 1.3322 1.4577 1.4577 1.5968 1.5968 1.9158 1.9158 2.0440 2.0440 2.1275 2.1275 2.2329 2.2329 2.7033 2.7033 2.7102 2.7102 3.2133 3.2133 4.0820 4.0820 4.1835 4.1835 6.8822 6.8822 8.3018 8.3018 9.5422 9.5422 9.5470 9.5470 10.4818 10.4818 k = 0.0000 0.0000 0.1981 ( 4390 PWs) bands (ev): -20.8691 -20.8691 -20.8454 -20.8454 -12.6523 -12.6523 -12.5072 -12.5072 -5.9270 -5.9270 -5.8054 -5.8054 -3.2753 -3.2753 -3.2337 -3.2337 -3.1543 -3.1543 -2.6441 -2.6441 0.4779 0.4779 0.5528 0.5528 1.1816 1.1816 1.2718 1.2718 1.3445 1.3445 1.4716 1.4716 1.6101 1.6101 1.9195 1.9195 2.0498 2.0498 2.1260 2.1260 2.2331 2.2331 2.6999 2.6999 2.7154 2.7154 3.1755 3.1755 4.0436 4.0436 4.1417 4.1417 6.9176 6.9176 8.3957 8.3957 9.5350 9.5350 9.5609 9.5609 10.5161 10.5161 k = 0.0000 0.0000 0.2091 ( 4398 PWs) bands (ev): -20.8688 -20.8688 -20.8456 -20.8456 -12.6528 -12.6528 -12.5082 -12.5082 -5.9201 -5.9201 -5.8027 -5.8027 -3.2783 -3.2783 -3.2331 -3.2331 -3.1556 -3.1556 -2.6446 -2.6446 0.4625 0.4625 0.5395 0.5395 1.1823 1.1823 1.2870 1.2870 1.3551 1.3551 1.4852 1.4852 1.6240 1.6240 1.9232 1.9232 2.0554 2.0554 2.1249 2.1249 2.2334 2.2334 2.6959 2.6959 2.7213 2.7213 3.1392 3.1392 4.0070 4.0070 4.1015 4.1015 6.9515 6.9515 8.4895 8.4895 9.5235 9.5235 9.5784 9.5784 10.5484 10.5484 k = 0.0000 0.0000 0.2201 ( 4396 PWs) bands (ev): -20.8685 -20.8685 -20.8458 -20.8458 -12.6533 -12.6533 -12.5092 -12.5092 -5.9135 -5.9135 -5.8003 -5.8003 -3.2810 -3.2810 -3.2326 -3.2326 -3.1568 -3.1568 -2.6451 -2.6451 0.4480 0.4480 0.5273 0.5273 1.1830 1.1830 1.3014 1.3014 1.3640 1.3640 1.4984 1.4984 1.6383 1.6383 1.9267 1.9267 2.0608 2.0608 2.1244 2.1244 2.2337 2.2337 2.6925 2.6925 2.7267 2.7267 3.1049 3.1049 3.9727 3.9727 4.0636 4.0636 6.9834 6.9834 8.5822 8.5822 9.5107 9.5107 9.5976 9.5976 10.5785 10.5785 k = 0.0000 0.0000 0.2311 ( 4396 PWs) bands (ev): -20.8683 -20.8683 -20.8460 -20.8460 -12.6538 -12.6538 -12.5101 -12.5101 -5.9075 -5.9075 -5.7981 -5.7981 -3.2835 -3.2835 -3.2321 -3.2321 -3.1579 -3.1579 -2.6456 -2.6456 0.4348 0.4348 0.5161 0.5161 1.1835 1.1835 1.3149 1.3149 1.3713 1.3713 1.5109 1.5109 1.6525 1.6525 1.9298 1.9298 2.0658 2.0658 2.1243 2.1243 2.2340 2.2340 2.6899 2.6899 2.7316 2.7316 3.0728 3.0728 3.9412 3.9412 4.0284 4.0284 7.0130 7.0130 8.6723 8.6723 9.4973 9.4973 9.6191 9.6191 10.6058 10.6058 k = 0.0000 0.0000 0.2421 ( 4392 PWs) bands (ev): -20.8681 -20.8681 -20.8462 -20.8462 -12.6542 -12.6542 -12.5109 -12.5109 -5.9020 -5.9020 -5.7962 -5.7962 -3.2857 -3.2857 -3.2316 -3.2316 -3.1589 -3.1589 -2.6460 -2.6460 0.4230 0.4230 0.5062 0.5062 1.1840 1.1840 1.3272 1.3272 1.3771 1.3771 1.5224 1.5224 1.6660 1.6660 1.9326 1.9326 2.0705 2.0705 2.1245 2.1245 2.2344 2.2344 2.6881 2.6881 2.7359 2.7359 3.0434 3.0434 3.9129 3.9129 3.9966 3.9966 7.0396 7.0396 8.7581 8.7581 9.4839 9.4839 9.6438 9.6438 10.5838 10.5838 k = 0.0000 0.0000 0.2531 ( 4398 PWs) bands (ev): -20.8679 -20.8679 -20.8463 -20.8463 -12.6545 -12.6545 -12.5116 -12.5116 -5.8971 -5.8971 -5.7946 -5.7946 -3.2877 -3.2877 -3.2312 -3.2312 -3.1598 -3.1598 -2.6464 -2.6464 0.4128 0.4128 0.4976 0.4976 1.1844 1.1844 1.3381 1.3381 1.3814 1.3814 1.5327 1.5327 1.6785 1.6785 1.9350 1.9350 2.0747 2.0747 2.1250 2.1250 2.2347 2.2347 2.6872 2.6872 2.7394 2.7394 3.0172 3.0172 3.8882 3.8882 3.9685 3.9685 7.0630 7.0630 8.8375 8.8375 9.4713 9.4713 9.6727 9.6727 10.4820 10.4820 k = 0.0000 0.0000 0.2641 ( 4396 PWs) bands (ev): -20.8677 -20.8677 -20.8465 -20.8465 -12.6548 -12.6548 -12.5122 -12.5122 -5.8930 -5.8930 -5.7933 -5.7933 -3.2893 -3.2893 -3.2309 -3.2309 -3.1605 -3.1605 -2.6467 -2.6467 0.4042 0.4042 0.4905 0.4905 1.1847 1.1847 1.3476 1.3476 1.3846 1.3846 1.5415 1.5415 1.6894 1.6894 1.9369 1.9369 2.0782 2.0782 2.1256 2.1256 2.2351 2.2351 2.6870 2.6870 2.7422 2.7422 2.9948 2.9948 3.8675 3.8675 3.9448 3.9448 7.0827 7.0827 8.9078 8.9078 9.4601 9.4601 9.7069 9.7069 10.3817 10.3817 k = 0.0000 0.0000 0.2751 ( 4396 PWs) bands (ev): -20.8675 -20.8675 -20.8466 -20.8466 -12.6551 -12.6551 -12.5126 -12.5126 -5.8897 -5.8897 -5.7923 -5.7923 -3.2905 -3.2905 -3.2307 -3.2307 -3.1611 -3.1611 -2.6469 -2.6469 0.3974 0.3974 0.4849 0.4849 1.1849 1.1849 1.3553 1.3553 1.3866 1.3866 1.5487 1.5487 1.6983 1.6983 1.9384 1.9384 2.0811 2.0811 2.1262 2.1262 2.2354 2.2354 2.6873 2.6873 2.7444 2.7444 2.9766 2.9766 3.8510 3.8510 3.9259 3.9259 7.0985 7.0985 8.9662 8.9662 9.4508 9.4508 9.7470 9.7470 10.2864 10.2864 k = 0.0000 0.0000 0.2862 ( 4396 PWs) bands (ev): -20.8674 -20.8674 -20.8466 -20.8466 -12.6552 -12.6552 -12.5130 -12.5130 -5.8874 -5.8874 -5.7916 -5.7916 -3.2914 -3.2914 -3.2305 -3.2305 -3.1615 -3.1615 -2.6471 -2.6471 0.3925 0.3925 0.4808 0.4808 1.1851 1.1851 1.3612 1.3612 1.3877 1.3877 1.5539 1.5539 1.7049 1.7049 1.9395 1.9395 2.0832 2.0832 2.1267 2.1267 2.2356 2.2356 2.6878 2.6878 2.7459 2.7459 2.9631 2.9631 3.8391 3.8391 3.9120 3.9120 7.1099 7.1099 9.0101 9.0101 9.4438 9.4438 9.7914 9.7914 10.2003 10.2003 k = 0.0000 0.0000 0.2972 ( 4390 PWs) bands (ev): -20.8674 -20.8674 -20.8467 -20.8467 -12.6553 -12.6553 -12.5132 -12.5132 -5.8859 -5.8859 -5.7912 -5.7912 -3.2920 -3.2920 -3.2304 -3.2304 -3.1617 -3.1617 -2.6472 -2.6472 0.3895 0.3895 0.4783 0.4783 1.1853 1.1853 1.3650 1.3650 1.3882 1.3882 1.5571 1.5571 1.7090 1.7090 1.9402 1.9402 2.0846 2.0846 2.1271 2.1271 2.2357 2.2357 2.6883 2.6883 2.7468 2.7468 2.9548 2.9548 3.8319 3.8319 3.9036 3.9036 7.1169 7.1169 9.0373 9.0373 9.4395 9.4395 9.8331 9.8331 10.1327 10.1327 k = 0.0000 0.0000 0.3082 ( 4392 PWs) bands (ev): -20.8674 -20.8674 -20.8467 -20.8467 -12.6554 -12.6554 -12.5132 -12.5132 -5.8854 -5.8854 -5.7910 -5.7910 -3.2922 -3.2922 -3.2303 -3.2303 -3.1618 -3.1618 -2.6472 -2.6472 0.3885 0.3885 0.4775 0.4775 1.1853 1.1853 1.3662 1.3662 1.3883 1.3883 1.5582 1.5582 1.7104 1.7104 1.9404 1.9404 2.0850 2.0850 2.1272 2.1272 2.2358 2.2358 2.6884 2.6884 2.7470 2.7470 2.9520 2.9520 3.8295 3.8295 3.9007 3.9007 7.1192 7.1192 9.0465 9.0465 9.4380 9.4380 9.8527 9.8527 10.1044 10.1044 k = 0.0000 0.0000 0.3082 ( 4392 PWs) bands (ev): -20.8674 -20.8674 -20.8467 -20.8467 -12.6554 -12.6554 -12.5132 -12.5132 -5.8854 -5.8854 -5.7910 -5.7910 -3.2922 -3.2922 -3.2303 -3.2303 -3.1618 -3.1618 -2.6472 -2.6472 0.3885 0.3885 0.4775 0.4775 1.1853 1.1853 1.3662 1.3662 1.3883 1.3883 1.5582 1.5582 1.7104 1.7104 1.9404 1.9404 2.0850 2.0850 2.1272 2.1272 2.2358 2.2358 2.6884 2.6884 2.7470 2.7470 2.9520 2.9520 3.8295 3.8295 3.9007 3.9007 7.1192 7.1192 9.0465 9.0465 9.4380 9.4380 9.8527 9.8527 10.1044 10.1044 k = 0.0114-0.0000 0.3082 ( 4400 PWs) bands (ev): -20.8673 -20.8673 -20.8467 -20.8467 -12.6553 -12.6553 -12.5132 -12.5132 -5.8851 -5.8851 -5.7908 -5.7908 -3.2927 -3.2927 -3.2300 -3.2300 -3.1623 -3.1623 -2.6473 -2.6473 0.3883 0.3883 0.4767 0.4767 1.1851 1.1851 1.3638 1.3638 1.3916 1.3916 1.5584 1.5584 1.7113 1.7113 1.9401 1.9401 2.0851 2.0851 2.1273 2.1273 2.2336 2.2336 2.6880 2.6880 2.7500 2.7500 2.9527 2.9527 3.8278 3.8278 3.8991 3.8991 7.1205 7.1205 9.0472 9.0472 9.4397 9.4397 9.8535 9.8535 10.1043 10.1043 k = 0.0227-0.0000 0.3082 ( 4396 PWs) bands (ev): -20.8672 -20.8672 -20.8466 -20.8466 -12.6549 -12.6549 -12.5131 -12.5131 -5.8842 -5.8842 -5.7901 -5.7901 -3.2942 -3.2942 -3.2291 -3.2291 -3.1638 -3.1638 -2.6476 -2.6476 0.3876 0.3876 0.4742 0.4742 1.1847 1.1847 1.3590 1.3590 1.3990 1.3990 1.5589 1.5589 1.7142 1.7142 1.9393 1.9393 2.0854 2.0854 2.1279 2.1279 2.2272 2.2272 2.6866 2.6866 2.7586 2.7586 2.9549 2.9549 3.8230 3.8230 3.8941 3.8941 7.1246 7.1246 9.0493 9.0493 9.4449 9.4449 9.8559 9.8559 10.1040 10.1040 k = 0.0341-0.0000 0.3082 ( 4392 PWs) bands (ev): -20.8669 -20.8669 -20.8464 -20.8464 -12.6542 -12.6542 -12.5129 -12.5129 -5.8827 -5.8827 -5.7890 -5.7890 -3.2968 -3.2968 -3.2276 -3.2276 -3.1662 -3.1662 -2.6480 -2.6480 0.3865 0.3865 0.4701 0.4701 1.1841 1.1841 1.3543 1.3543 1.4079 1.4079 1.5599 1.5599 1.7191 1.7191 1.9380 1.9380 2.0853 2.0853 2.1292 2.1292 2.2175 2.2175 2.6844 2.6844 2.7722 2.7722 2.9585 2.9585 3.8150 3.8150 3.8859 3.8859 7.1312 7.1312 9.0528 9.0528 9.4535 9.4535 9.8599 9.8599 10.1035 10.1035 k = 0.0455-0.0000 0.3082 ( 4408 PWs) bands (ev): -20.8666 -20.8666 -20.8462 -20.8462 -12.6534 -12.6534 -12.5126 -12.5126 -5.8805 -5.8805 -5.7875 -5.7875 -3.3003 -3.3003 -3.2256 -3.2256 -3.1697 -3.1697 -2.6486 -2.6486 0.3850 0.3850 0.4646 0.4646 1.1831 1.1831 1.3503 1.3503 1.4173 1.4173 1.5611 1.5611 1.7262 1.7262 1.9360 1.9360 2.0840 2.0840 2.1315 2.1315 2.2051 2.2051 2.6816 2.6816 2.7899 2.7899 2.9635 2.9635 3.8039 3.8039 3.8746 3.8746 7.1405 7.1405 9.0577 9.0577 9.4653 9.4653 9.8656 9.8656 10.1027 10.1027 k = 0.0568-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8662 -20.8662 -20.8459 -20.8459 -12.6522 -12.6522 -12.5122 -12.5122 -5.8778 -5.8778 -5.7855 -5.7855 -3.3048 -3.3048 -3.2229 -3.2229 -3.1740 -3.1740 -2.6494 -2.6494 0.3830 0.3830 0.4577 0.4577 1.1818 1.1818 1.3476 1.3476 1.4267 1.4267 1.5629 1.5629 1.7356 1.7356 1.9335 1.9335 2.0807 2.0807 2.1352 2.1352 2.1921 2.1921 2.6781 2.6781 2.8110 2.8110 2.9700 2.9700 3.7897 3.7897 3.8603 3.8603 7.1523 7.1523 9.0639 9.0639 9.4802 9.4802 9.8729 9.8729 10.1018 10.1018 k = 0.0682-0.0000 0.3082 ( 4408 PWs) bands (ev): -20.8657 -20.8657 -20.8455 -20.8455 -12.6508 -12.6508 -12.5118 -12.5118 -5.8745 -5.8745 -5.7831 -5.7831 -3.3103 -3.3103 -3.2196 -3.2196 -3.1793 -3.1793 -2.6504 -2.6504 0.3808 0.3808 0.4498 0.4498 1.1800 1.1800 1.3460 1.3460 1.4357 1.4357 1.5650 1.5650 1.7475 1.7475 1.9304 1.9304 2.0747 2.0747 2.1397 2.1397 2.1800 2.1800 2.6739 2.6739 2.8348 2.8348 2.9779 2.9779 3.7725 3.7725 3.8432 3.8432 7.1665 7.1665 9.0715 9.0715 9.4979 9.4979 9.8819 9.8819 10.1006 10.1006 k = 0.0795-0.0000 0.3082 ( 4400 PWs) bands (ev): -20.8651 -20.8651 -20.8451 -20.8451 -12.6492 -12.6492 -12.5112 -12.5112 -5.8706 -5.8706 -5.7803 -5.7803 -3.3166 -3.3166 -3.2158 -3.2158 -3.1855 -3.1855 -2.6515 -2.6515 0.3783 0.3783 0.4408 0.4408 1.1778 1.1778 1.3456 1.3456 1.4441 1.4441 1.5674 1.5674 1.7619 1.7619 1.9263 1.9263 2.0655 2.0655 2.1432 2.1432 2.1721 2.1721 2.6688 2.6688 2.8606 2.8606 2.9870 2.9870 3.7524 3.7524 3.8234 3.8234 7.1830 7.1830 9.0804 9.0804 9.5180 9.5180 9.8926 9.8926 10.0992 10.0992 k = 0.0909-0.0000 0.3082 ( 4404 PWs) bands (ev): -20.8645 -20.8645 -20.8446 -20.8446 -12.6474 -12.6474 -12.5106 -12.5106 -5.8662 -5.8662 -5.7771 -5.7771 -3.3238 -3.3238 -3.2114 -3.2114 -3.1926 -3.1926 -2.6529 -2.6529 0.3755 0.3755 0.4312 0.4312 1.1751 1.1751 1.3462 1.3462 1.4517 1.4517 1.5703 1.5703 1.7788 1.7788 1.9212 1.9212 2.0534 2.0534 2.1421 2.1421 2.1722 2.1722 2.6629 2.6629 2.8879 2.8879 2.9975 2.9975 3.7296 3.7296 3.8014 3.8014 7.2017 7.2017 9.0905 9.0905 9.5400 9.5400 9.9051 9.9051 10.0975 10.0975 k = 0.1023-0.0000 0.3082 ( 4408 PWs) bands (ev): -20.8637 -20.8637 -20.8441 -20.8441 -12.6453 -12.6453 -12.5100 -12.5100 -5.8613 -5.8613 -5.7736 -5.7736 -3.3317 -3.3317 -3.2066 -3.2066 -3.2004 -3.2004 -2.6544 -2.6544 0.3726 0.3726 0.4211 0.4211 1.1719 1.1719 1.3477 1.3477 1.4586 1.4586 1.5734 1.5734 1.7981 1.7981 1.9144 1.9144 2.0394 2.0394 2.1373 2.1373 2.1794 2.1794 2.6561 2.6561 2.9162 2.9162 3.0093 3.0093 3.7041 3.7041 3.7772 3.7772 7.2224 7.2224 9.1019 9.1019 9.5629 9.5629 9.9194 9.9194 10.0954 10.0954 k = 0.1136-0.0000 0.3082 ( 4412 PWs) bands (ev): -20.8629 -20.8629 -20.8435 -20.8435 -12.6430 -12.6430 -12.5093 -12.5093 -5.8560 -5.8560 -5.7697 -5.7697 -3.3404 -3.3404 -3.2092 -3.2092 -3.2010 -3.2010 -2.6561 -2.6561 0.3697 0.3697 0.4108 0.4108 1.1681 1.1681 1.3499 1.3499 1.4647 1.4647 1.5769 1.5769 1.8195 1.8195 1.9056 1.9056 2.0250 2.0250 2.1319 2.1319 2.1899 2.1899 2.6484 2.6484 2.9450 2.9450 3.0222 3.0222 3.6762 3.6762 3.7511 3.7511 7.2451 7.2451 9.1144 9.1144 9.5853 9.5853 9.9355 9.9355 10.0787 10.0787 k = 0.1250-0.0000 0.3082 ( 4416 PWs) bands (ev): -20.8620 -20.8620 -20.8429 -20.8429 -12.6405 -12.6405 -12.5085 -12.5085 -5.8501 -5.8501 -5.7654 -5.7654 -3.3497 -3.3497 -3.2187 -3.2187 -3.1950 -3.1950 -2.6580 -2.6580 0.3667 0.3667 0.4004 0.4004 1.1638 1.1638 1.3526 1.3526 1.4703 1.4703 1.5805 1.5805 1.8428 1.8428 1.8944 1.8944 2.0117 2.0117 2.1271 2.1271 2.2021 2.2021 2.6398 2.6398 2.9741 2.9741 3.0364 3.0364 3.6460 3.6460 3.7236 3.7236 7.2695 7.2695 9.1280 9.1280 9.6049 9.6049 9.9534 9.9534 10.0229 10.0229 k = 0.1364-0.0000 0.3082 ( 4416 PWs) bands (ev): -20.8611 -20.8611 -20.8422 -20.8422 -12.6377 -12.6377 -12.5078 -12.5078 -5.8438 -5.8438 -5.7609 -5.7609 -3.3597 -3.3597 -3.2288 -3.2288 -3.1885 -3.1885 -2.6600 -2.6600 0.3639 0.3639 0.3902 0.3902 1.1590 1.1590 1.3556 1.3556 1.4754 1.4754 1.5842 1.5842 1.8675 1.8675 1.8806 1.8806 2.0004 2.0004 2.1228 2.1228 2.2153 2.2153 2.6303 2.6303 3.0030 3.0030 3.0520 3.0520 3.6137 3.6137 3.6948 3.6948 7.2956 7.2956 9.1427 9.1427 9.6175 9.6175 9.9726 9.9726 9.9755 9.9755 k = 0.1477-0.0000 0.3082 ( 4416 PWs) bands (ev): -20.8600 -20.8600 -20.8415 -20.8415 -12.6348 -12.6348 -12.5069 -12.5069 -5.8372 -5.8372 -5.7562 -5.7562 -3.3701 -3.3701 -3.2397 -3.2397 -3.1815 -3.1815 -2.6623 -2.6623 0.3613 0.3613 0.3805 0.3805 1.1536 1.1536 1.3587 1.3587 1.4803 1.4803 1.5877 1.5877 1.8644 1.8644 1.8929 1.8929 1.9919 1.9919 2.1192 2.1192 2.2290 2.2290 2.6201 2.6201 3.0311 3.0311 3.0690 3.0690 3.5796 3.5796 3.6650 3.6650 7.3230 7.3230 9.1584 9.1584 9.6172 9.6172 9.9409 9.9409 9.9950 9.9950 k = 0.1591-0.0000 0.3082 ( 4420 PWs) bands (ev): -20.8590 -20.8590 -20.8407 -20.8407 -12.6317 -12.6317 -12.5061 -12.5061 -5.8302 -5.8302 -5.7512 -5.7512 -3.3810 -3.3810 -3.2511 -3.2511 -3.1741 -3.1741 -2.6648 -2.6648 0.3589 0.3589 0.3715 0.3715 1.1478 1.1478 1.3616 1.3616 1.4849 1.4849 1.5908 1.5908 1.8469 1.8469 1.9175 1.9175 1.9867 1.9867 2.1162 2.1162 2.2430 2.2430 2.6093 2.6093 3.0577 3.0577 3.0880 3.0880 3.5440 3.5440 3.6346 3.6346 7.3518 7.3518 9.1750 9.1750 9.5984 9.5984 9.9266 9.9266 10.0183 10.0183 k = 0.1705-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8578 -20.8578 -20.8399 -20.8399 -12.6285 -12.6285 -12.5052 -12.5052 -5.8228 -5.8228 -5.7459 -5.7459 -3.3923 -3.3923 -3.2631 -3.2631 -3.1662 -3.1662 -2.6675 -2.6675 0.3564 0.3564 0.3637 0.3637 1.1415 1.1415 1.3644 1.3644 1.4893 1.4893 1.5930 1.5930 1.8290 1.8290 1.9385 1.9385 1.9868 1.9868 2.1143 2.1143 2.2570 2.2570 2.5981 2.5981 3.0819 3.0819 3.1097 3.1097 3.5072 3.5072 3.6039 3.6039 7.3816 7.3816 9.1925 9.1925 9.5611 9.5611 9.9315 9.9315 10.0421 10.0421 k = 0.1818-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8566 -20.8566 -20.8391 -20.8391 -12.6250 -12.6250 -12.5044 -12.5044 -5.8152 -5.8152 -5.7405 -5.7405 -3.4039 -3.4039 -3.2757 -3.2757 -3.1578 -3.1578 -2.6704 -2.6704 0.3525 0.3525 0.3590 0.3590 1.1347 1.1347 1.3668 1.3668 1.4936 1.4936 1.5939 1.5939 1.8119 1.8119 1.9502 1.9502 1.9962 1.9962 2.1136 2.1136 2.2706 2.2706 2.5870 2.5870 3.1036 3.1036 3.1338 3.1338 3.4695 3.4695 3.5732 3.5732 7.4124 7.4124 9.2107 9.2107 9.5104 9.5104 9.9502 9.9502 10.0599 10.0599 k = 0.1932-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8554 -20.8554 -20.8383 -20.8383 -12.6215 -12.6215 -12.5035 -12.5035 -5.8073 -5.8073 -5.7350 -5.7350 -3.4157 -3.4157 -3.2886 -3.2886 -3.1491 -3.1491 -2.6735 -2.6735 0.3471 0.3471 0.3576 0.3576 1.1276 1.1276 1.3687 1.3687 1.4975 1.4975 1.5928 1.5928 1.7967 1.7967 1.9527 1.9527 2.0128 2.0128 2.1152 2.1152 2.2836 2.2836 2.5765 2.5765 3.1237 3.1237 3.1591 3.1591 3.4312 3.4312 3.5428 3.5428 7.4440 7.4440 9.2296 9.2296 9.4515 9.4515 9.9768 9.9768 10.0376 10.0376 k = 0.2045-0.0000 0.3082 ( 4406 PWs) bands (ev): -20.8541 -20.8541 -20.8374 -20.8374 -12.6177 -12.6177 -12.5026 -12.5026 -5.7993 -5.7993 -5.7293 -5.7293 -3.4277 -3.4277 -3.3020 -3.3020 -3.1400 -3.1400 -2.6769 -2.6769 0.3421 0.3421 0.3578 0.3578 1.1202 1.1202 1.3701 1.3701 1.5008 1.5008 1.5894 1.5894 1.7845 1.7845 1.9513 1.9513 2.0288 2.0288 2.1204 2.1204 2.2958 2.2958 2.5671 2.5671 3.1430 3.1430 3.1846 3.1846 3.3927 3.3927 3.5130 3.5130 7.4762 7.4762 9.2491 9.2491 9.3880 9.3880 9.9818 9.9818 10.0088 10.0088 k = 0.2159-0.0000 0.3082 ( 4402 PWs) bands (ev): -20.8528 -20.8528 -20.8366 -20.8366 -12.6139 -12.6139 -12.5018 -12.5018 -5.7910 -5.7910 -5.7236 -5.7236 -3.4397 -3.4397 -3.3157 -3.3157 -3.1305 -3.1305 -2.6804 -2.6804 0.3383 0.3383 0.3591 0.3591 1.1126 1.1126 1.3709 1.3709 1.5030 1.5030 1.5835 1.5835 1.7758 1.7758 1.9486 1.9486 2.0399 2.0399 2.1297 2.1297 2.3073 2.3073 2.5596 2.5596 3.1621 3.1621 3.2093 3.2093 3.3545 3.3545 3.4843 3.4843 7.5089 7.5089 9.2688 9.2688 9.3224 9.3224 9.9239 9.9239 10.0397 10.0397 k = 0.2273-0.0000 0.3082 ( 4412 PWs) bands (ev): -20.8515 -20.8515 -20.8357 -20.8357 -12.6099 -12.6099 -12.5010 -12.5010 -5.7827 -5.7827 -5.7178 -5.7178 -3.4518 -3.4518 -3.3296 -3.3296 -3.1207 -3.1207 -2.6842 -2.6842 0.3359 0.3359 0.3616 0.3616 1.1048 1.1048 1.3711 1.3711 1.5033 1.5033 1.5757 1.5757 1.7709 1.7709 1.9449 1.9449 2.0452 2.0452 2.1417 2.1417 2.3185 2.3185 2.5547 2.5547 3.1810 3.1810 3.2324 3.2324 3.3172 3.3172 3.4570 3.4570 7.5418 7.5418 9.2533 9.2533 9.2912 9.2912 9.8654 9.8654 10.0567 10.0567 k = 0.2386-0.0000 0.3082 ( 4416 PWs) bands (ev): -20.8501 -20.8501 -20.8348 -20.8348 -12.6059 -12.6059 -12.5003 -12.5003 -5.7743 -5.7743 -5.7120 -5.7120 -3.4638 -3.4638 -3.3438 -3.3438 -3.1106 -3.1106 -2.6882 -2.6882 0.3350 0.3350 0.3652 0.3652 1.0969 1.0969 1.3705 1.3705 1.5006 1.5006 1.5676 1.5676 1.7694 1.7694 1.9406 1.9406 2.0461 2.0461 2.1526 2.1526 2.3307 2.3307 2.5529 2.5529 3.1996 3.1996 3.2505 3.2505 3.2844 3.2844 3.4317 3.4317 7.5749 7.5749 9.1862 9.1862 9.3116 9.3116 9.8079 9.8079 10.0521 10.0521 k = 0.2500-0.0000 0.3082 ( 4414 PWs) bands (ev): -20.8487 -20.8487 -20.8340 -20.8340 -12.6018 -12.6018 -12.4996 -12.4996 -5.7659 -5.7659 -5.7062 -5.7062 -3.4756 -3.4756 -3.3581 -3.3581 -3.1001 -3.1001 -2.6925 -2.6925 0.3356 0.3356 0.3701 0.3701 1.0890 1.0890 1.3692 1.3692 1.4933 1.4933 1.5613 1.5613 1.7707 1.7707 1.9355 1.9355 2.0440 2.0440 2.1592 2.1592 2.3454 2.3454 2.5542 2.5542 3.2173 3.2173 3.2384 3.2384 3.2814 3.2814 3.4096 3.4096 7.6079 7.6079 9.1186 9.1186 9.3328 9.3328 9.7519 9.7519 10.0464 10.0464 k = 0.2614-0.0000 0.3082 ( 4422 PWs) bands (ev): -20.8474 -20.8474 -20.8331 -20.8331 -12.5975 -12.5975 -12.4990 -12.4990 -5.7574 -5.7574 -5.7005 -5.7005 -3.4872 -3.4872 -3.3725 -3.3725 -3.0895 -3.0895 -2.6970 -2.6970 0.3380 0.3380 0.3764 0.3764 1.0811 1.0811 1.3670 1.3670 1.4811 1.4811 1.5577 1.5577 1.7740 1.7740 1.9294 1.9294 2.0401 2.0401 2.1595 2.1595 2.3636 2.3636 2.5584 2.5584 3.2039 3.2039 3.2384 3.2384 3.2942 3.2942 3.3925 3.3925 7.6407 7.6407 9.0513 9.0513 9.3544 9.3544 9.6980 9.6980 10.0404 10.0404 k = 0.2727-0.0000 0.3082 ( 4418 PWs) bands (ev): -20.8460 -20.8460 -20.8323 -20.8323 -12.5933 -12.5933 -12.4985 -12.4985 -5.7490 -5.7490 -5.6948 -5.6948 -3.4985 -3.4985 -3.3869 -3.3869 -3.0786 -3.0786 -2.7018 -2.7018 0.3421 0.3421 0.3842 0.3842 1.0733 1.0733 1.3640 1.3640 1.4649 1.4649 1.5562 1.5562 1.7787 1.7787 1.9221 1.9221 2.0347 2.0347 2.1538 2.1538 2.3851 2.3851 2.5649 2.5649 3.1729 3.1729 3.2561 3.2561 3.3010 3.3010 3.3841 3.3841 7.6730 7.6730 8.9849 8.9849 9.3761 9.3761 9.6467 9.6467 10.0338 10.0338 k = 0.2841-0.0000 0.3082 ( 4434 PWs) bands (ev): -20.8446 -20.8446 -20.8315 -20.8315 -12.5890 -12.5890 -12.4980 -12.4980 -5.7408 -5.7408 -5.6893 -5.6893 -3.5096 -3.5096 -3.4013 -3.4013 -3.0675 -3.0675 -2.7068 -2.7068 0.3479 0.3479 0.3933 0.3933 1.0657 1.0657 1.3600 1.3600 1.4461 1.4461 1.5558 1.5558 1.7840 1.7840 1.9132 1.9132 2.0282 2.0282 2.1436 2.1436 2.4090 2.4090 2.5729 2.5729 3.1434 3.1434 3.2734 3.2734 3.2986 3.2986 3.3866 3.3866 7.7047 7.7047 8.9195 8.9195 9.3977 9.3977 9.5982 9.5982 10.0269 10.0269 k = 0.2955-0.0000 0.3082 ( 4426 PWs) bands (ev): -20.8432 -20.8432 -20.8307 -20.8307 -12.5846 -12.5846 -12.4977 -12.4977 -5.7326 -5.7326 -5.6839 -5.6839 -3.5202 -3.5202 -3.4156 -3.4156 -3.0563 -3.0563 -2.7120 -2.7120 0.3555 0.3555 0.4041 0.4041 1.0585 1.0585 1.3550 1.3550 1.4258 1.4258 1.5556 1.5556 1.7897 1.7897 1.9025 1.9025 2.0207 2.0207 2.1308 2.1308 2.4341 2.4341 2.5819 2.5819 3.1168 3.1168 3.2828 3.2828 3.2972 3.2972 3.3968 3.3968 7.7357 7.7357 8.8554 8.8554 9.4190 9.4190 9.5535 9.5535 10.0195 10.0195 k = 0.3068-0.0000 0.3082 ( 4430 PWs) bands (ev): -20.8419 -20.8419 -20.8299 -20.8299 -12.5803 -12.5803 -12.4974 -12.4974 -5.7246 -5.7246 -5.6787 -5.6787 -3.5303 -3.5303 -3.4297 -3.4297 -3.0448 -3.0448 -2.7175 -2.7175 0.3649 0.3649 0.4164 0.4164 1.0514 1.0514 1.3488 1.3488 1.4048 1.4048 1.5549 1.5549 1.7951 1.7951 1.8895 1.8895 2.0126 2.0126 2.1173 2.1173 2.4591 2.4591 2.5911 2.5911 3.0935 3.0935 3.2733 3.2733 3.3119 3.3119 3.4102 3.4102 7.7656 7.7656 8.7928 8.7928 9.4386 9.4386 9.5140 9.5140 10.0117 10.0117 k = 0.3182-0.0000 0.3082 ( 4426 PWs) bands (ev): -20.8405 -20.8405 -20.8292 -20.8292 -12.5759 -12.5759 -12.4973 -12.4973 -5.7168 -5.7168 -5.6737 -5.6737 -3.5400 -3.5400 -3.4436 -3.4436 -3.0333 -3.0333 -2.7233 -2.7233 0.3761 0.3761 0.4303 0.4303 1.0447 1.0447 1.3415 1.3415 1.3835 1.3835 1.5529 1.5529 1.7999 1.7999 1.8743 1.8743 2.0043 2.0043 2.1044 2.1044 2.4831 2.4831 2.6003 2.6003 3.0739 3.0739 3.2613 3.2613 3.3287 3.3287 3.4245 3.4245 7.7944 7.7944 8.7319 8.7319 9.4476 9.4476 9.4890 9.4890 10.0034 10.0034 k = 0.3295-0.0000 0.3082 ( 4424 PWs) bands (ev): -20.8392 -20.8392 -20.8285 -20.8285 -12.5716 -12.5716 -12.4973 -12.4973 -5.7092 -5.7092 -5.6690 -5.6690 -3.5491 -3.5491 -3.4572 -3.4572 -3.0217 -3.0217 -2.7293 -2.7293 0.3890 0.3890 0.4457 0.4457 1.0382 1.0382 1.3330 1.3330 1.3622 1.3622 1.5490 1.5490 1.8036 1.8036 1.8572 1.8572 1.9964 1.9964 2.0928 2.0928 2.5053 2.5053 2.6090 2.6090 3.0585 3.0585 3.2500 3.2500 3.3454 3.3454 3.4386 3.4386 7.8219 7.8219 8.6730 8.6730 9.4281 9.4281 9.4966 9.4966 9.9946 9.9946 k = 0.3409-0.0000 0.3082 ( 4424 PWs) bands (ev): -20.8379 -20.8379 -20.8278 -20.8278 -12.5673 -12.5673 -12.4975 -12.4975 -5.7019 -5.7019 -5.6645 -5.6645 -3.5576 -3.5576 -3.4705 -3.4705 -3.0100 -3.0100 -2.7357 -2.7357 0.4035 0.4035 0.4627 0.4627 1.0322 1.0322 1.3234 1.3234 1.3410 1.3410 1.5425 1.5425 1.8053 1.8053 1.8397 1.8397 1.9895 1.9895 2.0826 2.0826 2.5250 2.5250 2.6172 2.6172 3.0473 3.0473 3.2400 3.2400 3.3617 3.3617 3.4519 3.4519 7.8479 7.8479 8.6161 8.6161 9.4015 9.4015 9.5159 9.5159 9.9853 9.9853 k = 0.3523-0.0000 0.3082 ( 4416 PWs) bands (ev): -20.8367 -20.8367 -20.8272 -20.8272 -12.5630 -12.5630 -12.4977 -12.4977 -5.6949 -5.6949 -5.6602 -5.6602 -3.5654 -3.5654 -3.4834 -3.4834 -2.9983 -2.9983 -2.7422 -2.7422 0.4197 0.4197 0.4811 0.4811 1.0265 1.0265 1.3124 1.3124 1.3204 1.3204 1.5327 1.5327 1.8028 1.8028 1.8252 1.8252 1.9839 1.9839 2.0739 2.0739 2.5417 2.5417 2.6247 2.6247 3.0405 3.0405 3.2314 3.2314 3.3776 3.3776 3.4642 3.4642 7.8723 7.8723 8.5615 8.5615 9.3778 9.3778 9.5371 9.5371 9.9754 9.9754 k = 0.3636-0.0000 0.3082 ( 4420 PWs) bands (ev): -20.8354 -20.8354 -20.8267 -20.8267 -12.5588 -12.5588 -12.4982 -12.4982 -5.6882 -5.6882 -5.6563 -5.6563 -3.5725 -3.5725 -3.4958 -3.4958 -2.9865 -2.9865 -2.7491 -2.7491 0.4373 0.4373 0.5009 0.5009 1.0211 1.0211 1.2980 1.2980 1.3026 1.3026 1.5188 1.5188 1.7924 1.7924 1.8183 1.8183 1.9799 1.9799 2.0664 2.0664 2.5553 2.5553 2.6314 2.6314 3.0380 3.0380 3.2242 3.2242 3.3928 3.3928 3.4755 3.4755 7.8950 7.8950 8.5092 8.5092 9.3587 9.3587 9.5586 9.5586 9.9651 9.9651 k = 0.3750-0.0000 0.3082 ( 4414 PWs) bands (ev): -20.8343 -20.8343 -20.8262 -20.8262 -12.5547 -12.5547 -12.4988 -12.4988 -5.6819 -5.6819 -5.6527 -5.6527 -3.5789 -3.5789 -3.5077 -3.5077 -2.9748 -2.9748 -2.7562 -2.7562 0.4564 0.4564 0.5219 0.5219 1.0161 1.0161 1.2787 1.2787 1.2893 1.2893 1.5004 1.5004 1.7790 1.7790 1.8155 1.8155 1.9775 1.9775 2.0597 2.0597 2.5659 2.5659 2.6371 2.6371 3.0395 3.0395 3.2183 3.2183 3.4075 3.4075 3.4855 3.4855 7.9161 7.9161 8.4595 8.4595 9.3448 9.3448 9.5802 9.5802 9.9542 9.9542 k = 0.3864-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8332 -20.8332 -20.8258 -20.8258 -12.5506 -12.5506 -12.4995 -12.4995 -5.6759 -5.6759 -5.6495 -5.6495 -3.5845 -3.5845 -3.5191 -3.5191 -2.9631 -2.9631 -2.7636 -2.7636 0.4767 0.4767 0.5439 0.5439 1.0114 1.0114 1.2590 1.2590 1.2764 1.2764 1.4775 1.4775 1.7674 1.7674 1.8128 1.8128 1.9765 1.9765 2.0538 2.0538 2.5741 2.5741 2.6417 2.6417 3.0446 3.0446 3.2133 3.2133 3.4215 3.4215 3.4944 3.4944 7.9354 7.9354 8.4124 8.4124 9.3362 9.3362 9.6017 9.6017 9.9426 9.9426 k = 0.3977-0.0000 0.3082 ( 4406 PWs) bands (ev): -20.8321 -20.8321 -20.8255 -20.8255 -12.5466 -12.5466 -12.5004 -12.5004 -5.6703 -5.6703 -5.6467 -5.6467 -3.5894 -3.5894 -3.5299 -3.5299 -2.9515 -2.9515 -2.7713 -2.7713 0.4980 0.4980 0.5666 0.5666 1.0070 1.0070 1.2395 1.2395 1.2635 1.2635 1.4509 1.4509 1.7587 1.7587 1.8096 1.8096 1.9769 1.9769 2.0483 2.0483 2.5804 2.5804 2.6448 2.6448 3.0526 3.0526 3.2093 3.2093 3.4347 3.4347 3.5020 3.5020 7.9533 7.9533 8.3680 8.3680 9.3331 9.3331 9.6230 9.6230 9.9275 9.9275 k = 0.4091-0.0000 0.3082 ( 4402 PWs) bands (ev): -20.8311 -20.8311 -20.8252 -20.8252 -12.5428 -12.5428 -12.5015 -12.5015 -5.6651 -5.6651 -5.6442 -5.6442 -3.5934 -3.5934 -3.5401 -3.5401 -2.9399 -2.9399 -2.7793 -2.7793 0.5201 0.5201 0.5895 0.5895 1.0030 1.0030 1.2199 1.2199 1.2511 1.2511 1.4214 1.4214 1.7529 1.7529 1.8056 1.8056 1.9783 1.9783 2.0432 2.0432 2.5854 2.5854 2.6463 2.6463 3.0630 3.0630 3.2057 3.2057 3.4472 3.4472 3.5083 3.5083 7.9698 7.9698 8.3265 8.3265 9.3355 9.3355 9.6439 9.6439 9.8863 9.8863 k = 0.4205-0.0000 0.3082 ( 4406 PWs) bands (ev): -20.8302 -20.8302 -20.8250 -20.8250 -12.5390 -12.5390 -12.5028 -12.5028 -5.6604 -5.6604 -5.6421 -5.6421 -3.5966 -3.5966 -3.5496 -3.5496 -2.9284 -2.9284 -2.7875 -2.7875 0.5428 0.5428 0.6121 0.6121 0.9995 0.9995 1.2000 1.2000 1.2396 1.2396 1.3903 1.3903 1.7495 1.7495 1.8010 1.8010 1.9805 1.9805 2.0384 2.0384 2.5897 2.5897 2.6464 2.6464 3.0751 3.0751 3.2022 3.2022 3.4588 3.4588 3.5133 3.5133 7.9852 7.9852 8.2878 8.2878 9.3433 9.3433 9.6646 9.6646 9.8402 9.8402 k = 0.4318-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8293 -20.8293 -20.8248 -20.8248 -12.5354 -12.5354 -12.5042 -12.5042 -5.6561 -5.6561 -5.6405 -5.6405 -3.5989 -3.5989 -3.5584 -3.5584 -2.9171 -2.9171 -2.7960 -2.7960 0.5658 0.5658 0.6336 0.6336 0.9971 0.9971 1.1796 1.1796 1.2299 1.2299 1.3591 1.3591 1.7483 1.7483 1.7960 1.7960 1.9835 1.9835 2.0338 2.0338 2.5936 2.5936 2.6451 2.6451 3.0881 3.0881 3.1987 3.1987 3.4696 3.4696 3.5170 3.5170 7.9998 7.9998 8.2519 8.2519 9.3563 9.3563 9.6848 9.6848 9.7934 9.7934 k = 0.4432-0.0000 0.3082 ( 4414 PWs) bands (ev): -20.8285 -20.8285 -20.8248 -20.8248 -12.5319 -12.5319 -12.5059 -12.5059 -5.6522 -5.6522 -5.6392 -5.6392 -3.6004 -3.6004 -3.5664 -3.5664 -2.9059 -2.9059 -2.8048 -2.8048 0.5885 0.5885 0.6528 0.6528 0.9962 0.9962 1.1583 1.1583 1.2222 1.2222 1.3292 1.3292 1.7486 1.7486 1.7906 1.7906 1.9869 1.9869 2.0292 2.0292 2.5976 2.5976 2.6426 2.6426 3.1015 3.1015 3.1947 3.1947 3.4794 3.4794 3.5195 3.5195 8.0141 8.0141 8.2189 8.2189 9.3743 9.3743 9.7040 9.7040 9.7470 9.7470 k = 0.4545-0.0000 0.3082 ( 4406 PWs) bands (ev): -20.8278 -20.8278 -20.8248 -20.8248 -12.5285 -12.5285 -12.5077 -12.5077 -5.6488 -5.6488 -5.6384 -5.6384 -3.6009 -3.6009 -3.5736 -3.5736 -2.8948 -2.8948 -2.8138 -2.8138 0.6106 0.6106 0.6688 0.6688 0.9979 0.9979 1.1361 1.1361 1.2173 1.2173 1.3016 1.3016 1.7502 1.7502 1.7852 1.7852 1.9906 1.9906 2.0248 2.0248 2.6017 2.6017 2.6392 2.6392 3.1150 3.1150 3.1901 3.1901 3.4883 3.4883 3.5207 3.5207 8.0283 8.0283 8.1888 8.1888 9.3969 9.3969 9.6976 9.6976 9.7264 9.7264 k = 0.4659-0.0000 0.3082 ( 4406 PWs) bands (ev): -20.8271 -20.8271 -20.8249 -20.8249 -12.5253 -12.5253 -12.5097 -12.5097 -5.6459 -5.6459 -5.6381 -5.6381 -3.6006 -3.6006 -3.5800 -3.5800 -2.8839 -2.8839 -2.8231 -2.8231 0.6314 0.6314 0.6799 0.6799 1.0030 1.0030 1.1129 1.1129 1.2152 1.2152 1.2774 1.2774 1.7527 1.7527 1.7798 1.7798 1.9946 1.9946 2.0204 2.0204 2.6060 2.6060 2.6350 2.6350 3.1279 3.1279 3.1846 3.1846 3.4962 3.4962 3.5208 3.5208 8.0431 8.0431 8.1613 8.1613 9.4239 9.4239 9.6531 9.6531 9.7442 9.7442 k = 0.4773-0.0000 0.3082 ( 4410 PWs) bands (ev): -20.8266 -20.8266 -20.8251 -20.8251 -12.5223 -12.5223 -12.5118 -12.5118 -5.6434 -5.6434 -5.6382 -5.6382 -3.5994 -3.5994 -3.5856 -3.5856 -2.8733 -2.8733 -2.8327 -2.8327 0.6502 0.6502 0.6854 0.6854 1.0125 1.0125 1.0893 1.0893 1.2163 1.2163 1.2571 1.2571 1.7561 1.7561 1.7744 1.7744 1.9988 1.9988 2.0160 2.0160 2.6106 2.6106 2.6304 2.6304 3.1401 3.1401 3.1780 3.1780 3.5031 3.5031 3.5196 3.5196 8.0586 8.0586 8.1365 8.1365 9.4547 9.4547 9.6090 9.6090 9.7626 9.7626 k = 0.4886-0.0000 0.3082 ( 4418 PWs) bands (ev): -20.8261 -20.8261 -20.8253 -20.8253 -12.5194 -12.5194 -12.5142 -12.5142 -5.6414 -5.6414 -5.6388 -5.6388 -3.5973 -3.5973 -3.5904 -3.5904 -2.8628 -2.8628 -2.8425 -2.8425 0.6660 0.6660 0.6846 0.6846 1.0265 1.0265 1.0662 1.0662 1.2208 1.2208 1.2410 1.2410 1.7600 1.7600 1.7693 1.7693 2.0030 2.0030 2.0116 2.0116 2.6155 2.6155 2.6255 2.6255 3.1513 3.1513 3.1703 3.1703 3.5089 3.5089 3.5171 3.5171 8.0754 8.0754 8.1140 8.1140 9.4891 9.4891 9.5667 9.5667 9.7807 9.7807 k = 0.5000-0.0000 0.3082 ( 4412 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5167 -12.5167 -12.5167 -12.5167 -5.6399 -5.6399 -5.6399 -5.6399 -3.5943 -3.5943 -3.5943 -3.5943 -2.8525 -2.8525 -2.8525 -2.8525 0.6779 0.6779 0.6779 0.6779 1.0448 1.0448 1.0448 1.0448 1.2290 1.2290 1.2290 1.2290 1.7645 1.7645 1.7645 1.7645 2.0073 2.0073 2.0073 2.0073 2.6205 2.6205 2.6205 2.6205 3.1615 3.1615 3.1615 3.1615 3.5136 3.5136 3.5136 3.5136 8.0937 8.0937 8.0937 8.0937 9.5265 9.5265 9.5265 9.5265 9.7982 9.7982 k = 0.5000-0.0000 0.3082 ( 4412 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5167 -12.5167 -12.5167 -12.5167 -5.6399 -5.6399 -5.6399 -5.6399 -3.5943 -3.5943 -3.5943 -3.5943 -2.8525 -2.8525 -2.8525 -2.8525 0.6779 0.6779 0.6779 0.6779 1.0448 1.0448 1.0448 1.0448 1.2290 1.2290 1.2290 1.2290 1.7645 1.7645 1.7645 1.7645 2.0073 2.0073 2.0073 2.0073 2.6205 2.6205 2.6205 2.6205 3.1615 3.1615 3.1615 3.1615 3.5136 3.5136 3.5136 3.5136 8.0937 8.0937 8.0937 8.0937 9.5265 9.5265 9.5265 9.5265 9.7982 9.7982 k = 0.5000 0.0111 0.3082 ( 4408 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5167 -12.5167 -12.5167 -12.5167 -5.6398 -5.6398 -5.6398 -5.6398 -3.5944 -3.5944 -3.5944 -3.5944 -2.8525 -2.8525 -2.8525 -2.8525 0.6777 0.6777 0.6780 0.6780 1.0433 1.0433 1.0444 1.0444 1.2286 1.2286 1.2302 1.2302 1.7644 1.7644 1.7647 1.7647 2.0048 2.0048 2.0097 2.0097 2.6207 2.6207 2.6223 2.6223 3.1607 3.1607 3.1622 3.1622 3.5135 3.5135 3.5140 3.5140 8.0936 8.0936 8.0954 8.0954 9.5260 9.5260 9.5277 9.5277 9.7976 9.7976 k = 0.5000 0.0221 0.3082 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5167 -12.5167 -12.5167 -12.5167 -5.6398 -5.6398 -5.6398 -5.6398 -3.5948 -3.5948 -3.5947 -3.5947 -2.8525 -2.8525 -2.8524 -2.8524 0.6774 0.6774 0.6782 0.6782 1.0398 1.0398 1.0421 1.0421 1.2291 1.2291 1.2322 1.2322 1.7646 1.7646 1.7651 1.7651 2.0024 2.0024 2.0121 2.0121 2.6228 2.6228 2.6260 2.6260 3.1599 3.1599 3.1629 3.1629 3.5136 3.5136 3.5147 3.5147 8.0949 8.0949 8.0986 8.0986 9.5262 9.5262 9.5296 9.5296 9.7971 9.7971 k = 0.5000 0.0332 0.3082 ( 4408 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5167 -12.5167 -12.5167 -12.5167 -5.6397 -5.6397 -5.6397 -5.6397 -3.5954 -3.5954 -3.5953 -3.5953 -2.8524 -2.8524 -2.8523 -2.8523 0.6771 0.6771 0.6782 0.6782 1.0344 1.0344 1.0378 1.0378 1.2303 1.2303 1.2348 1.2348 1.7649 1.7649 1.7656 1.7656 1.9999 1.9999 2.0142 2.0142 2.6269 2.6269 2.6315 2.6315 3.1591 3.1591 3.1636 3.1636 3.5140 3.5140 3.5156 3.5156 8.0977 8.0977 8.1033 8.1033 9.5271 9.5271 9.5321 9.5321 9.7967 9.7967 k = 0.5000 0.0443 0.3082 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5167 -12.5167 -12.5167 -12.5167 -5.6395 -5.6395 -5.6395 -5.6395 -3.5962 -3.5962 -3.5961 -3.5961 -2.8522 -2.8522 -2.8522 -2.8522 0.6768 0.6768 0.6782 0.6782 1.0275 1.0275 1.0318 1.0318 1.2322 1.2322 1.2382 1.2382 1.7654 1.7654 1.7662 1.7662 1.9976 1.9976 2.0163 2.0163 2.6329 2.6329 2.6388 2.6388 3.1583 3.1583 3.1643 3.1643 3.5147 3.5147 3.5168 3.5168 8.1021 8.1021 8.1095 8.1095 9.5286 9.5286 9.5352 9.5352 9.7964 9.7964 k = 0.5000 0.0553 0.3082 ( 4416 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5167 -12.5167 -12.5167 -12.5167 -5.6394 -5.6394 -5.6394 -5.6394 -3.5972 -3.5972 -3.5971 -3.5971 -2.8521 -2.8521 -2.8521 -2.8521 0.6764 0.6764 0.6782 0.6782 1.0190 1.0190 1.0241 1.0241 1.2346 1.2346 1.2419 1.2419 1.7661 1.7661 1.7669 1.7669 1.9953 1.9953 2.0182 2.0182 2.6406 2.6406 2.6476 2.6476 3.1574 3.1574 3.1648 3.1648 3.5157 3.5157 3.5182 3.5182 8.1079 8.1079 8.1170 8.1170 9.5307 9.5307 9.5389 9.5389 9.7963 9.7963 k = 0.5000 0.0664 0.3082 ( 4416 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5166 -12.5166 -12.5166 -12.5166 -5.6392 -5.6392 -5.6391 -5.6391 -3.5984 -3.5984 -3.5983 -3.5983 -2.8519 -2.8519 -2.8519 -2.8519 0.6761 0.6761 0.6782 0.6782 1.0092 1.0092 1.0151 1.0151 1.2376 1.2376 1.2460 1.2460 1.7671 1.7671 1.7676 1.7676 1.9931 1.9931 2.0200 2.0200 2.6500 2.6500 2.6579 2.6579 3.1566 3.1566 3.1654 3.1654 3.5169 3.5169 3.5198 3.5198 8.1152 8.1152 8.1260 8.1260 9.5334 9.5334 9.5431 9.5431 9.7965 9.7965 k = 0.5000 0.0774 0.3082 ( 4416 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5166 -12.5166 -12.5166 -12.5166 -5.6389 -5.6389 -5.6389 -5.6389 -3.5998 -3.5998 -3.5997 -3.5997 -2.8517 -2.8517 -2.8516 -2.8516 0.6759 0.6759 0.6781 0.6781 0.9984 0.9984 1.0049 1.0049 1.2409 1.2409 1.2504 1.2504 1.7683 1.7683 1.7684 1.7684 1.9912 1.9912 2.0215 2.0215 2.6610 2.6610 2.6695 2.6695 3.1559 3.1559 3.1658 3.1658 3.5184 3.5184 3.5216 3.5216 8.1239 8.1239 8.1363 8.1363 9.5366 9.5366 9.5478 9.5478 9.7971 9.7971 k = 0.5000 0.0885 0.3082 ( 4412 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5166 -12.5166 -12.5166 -12.5166 -5.6386 -5.6386 -5.6386 -5.6386 -3.6013 -3.6013 -3.6012 -3.6012 -2.8514 -2.8514 -2.8514 -2.8514 0.6756 0.6756 0.6781 0.6781 0.9867 0.9867 0.9936 0.9936 1.2446 1.2446 1.2550 1.2550 1.7692 1.7692 1.7697 1.7697 1.9894 1.9894 2.0229 2.0229 2.6732 2.6732 2.6821 2.6821 3.1551 3.1551 3.1663 3.1663 3.5200 3.5200 3.5236 3.5236 8.1340 8.1340 8.1480 8.1480 9.5402 9.5402 9.5528 9.5528 9.7981 9.7981 k = 0.5000 0.0996 0.3082 ( 4408 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5165 -12.5165 -12.5165 -12.5165 -5.6383 -5.6383 -5.6383 -5.6383 -3.6030 -3.6030 -3.6029 -3.6029 -2.8512 -2.8512 -2.8511 -2.8511 0.6755 0.6755 0.6781 0.6781 0.9742 0.9742 0.9815 0.9815 1.2485 1.2485 1.2597 1.2597 1.7701 1.7701 1.7713 1.7713 1.9879 1.9879 2.0241 2.0241 2.6866 2.6866 2.6956 2.6956 3.1545 3.1545 3.1667 3.1667 3.5219 3.5219 3.5257 3.5257 8.1454 8.1454 8.1608 8.1608 9.5442 9.5442 9.5580 9.5580 9.7998 9.7998 k = 0.5000 0.1106 0.3082 ( 4412 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5165 -12.5165 -12.5165 -12.5165 -5.6380 -5.6380 -5.6380 -5.6380 -3.6048 -3.6048 -3.6047 -3.6047 -2.8509 -2.8509 -2.8508 -2.8508 0.6754 0.6754 0.6781 0.6781 0.9611 0.9611 0.9686 0.9686 1.2525 1.2525 1.2643 1.2643 1.7710 1.7710 1.7730 1.7730 1.9867 1.9867 2.0251 2.0251 2.7009 2.7009 2.7098 2.7098 3.1538 3.1538 3.1670 3.1670 3.5239 3.5239 3.5279 3.5279 8.1581 8.1581 8.1747 8.1747 9.5485 9.5485 9.5634 9.5634 9.8021 9.8021 k = 0.5000 0.1217 0.3082 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5164 -12.5164 -12.5164 -12.5164 -5.6376 -5.6376 -5.6376 -5.6376 -3.6068 -3.6068 -3.6066 -3.6066 -2.8506 -2.8506 -2.8505 -2.8505 0.6756 0.6756 0.6783 0.6783 0.9476 0.9476 0.9552 0.9552 1.2567 1.2567 1.2690 1.2690 1.7719 1.7719 1.7748 1.7748 1.9858 1.9858 2.0260 2.0260 2.7160 2.7160 2.7246 2.7246 3.1533 3.1533 3.1673 3.1673 3.5261 3.5261 3.5302 3.5302 8.1719 8.1719 8.1897 8.1897 9.5531 9.5531 9.5688 9.5688 9.8055 9.8055 k = 0.5000 0.1328 0.3082 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5164 -12.5164 -12.5164 -12.5164 -5.6373 -5.6373 -5.6372 -5.6372 -3.6087 -3.6087 -3.6085 -3.6085 -2.8503 -2.8503 -2.8502 -2.8502 0.6758 0.6758 0.6786 0.6786 0.9338 0.9338 0.9413 0.9413 1.2610 1.2610 1.2735 1.2735 1.7729 1.7729 1.7766 1.7766 1.9852 1.9852 2.0267 2.0267 2.7314 2.7314 2.7396 2.7396 3.1529 3.1529 3.1676 3.1676 3.5283 3.5283 3.5326 3.5326 8.1868 8.1868 8.2056 8.2056 9.5577 9.5577 9.5740 9.5740 9.8099 9.8099 k = 0.5000 0.1438 0.3082 ( 4408 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5163 -12.5163 -12.5163 -12.5163 -5.6369 -5.6369 -5.6369 -5.6369 -3.6108 -3.6108 -3.6106 -3.6106 -2.8500 -2.8500 -2.8499 -2.8499 0.6762 0.6762 0.6791 0.6791 0.9197 0.9197 0.9271 0.9271 1.2653 1.2653 1.2779 1.2779 1.7738 1.7738 1.7784 1.7784 1.9849 1.9849 2.0271 2.0271 2.7472 2.7472 2.7547 2.7547 3.1525 3.1525 3.1677 3.1677 3.5306 3.5306 3.5349 3.5349 8.2026 8.2026 8.2223 8.2223 9.5623 9.5623 9.5791 9.5791 9.8155 9.8155 k = 0.5000 0.1549 0.3082 ( 4412 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5163 -12.5163 -12.5163 -12.5163 -5.6365 -5.6365 -5.6365 -5.6365 -3.6128 -3.6128 -3.6126 -3.6126 -2.8497 -2.8497 -2.8496 -2.8496 0.6769 0.6769 0.6797 0.6797 0.9056 0.9056 0.9128 0.9128 1.2697 1.2697 1.2822 1.2822 1.7747 1.7747 1.7802 1.7802 1.9849 1.9849 2.0274 2.0274 2.7630 2.7630 2.7697 2.7697 3.1522 3.1522 3.1678 3.1678 3.5330 3.5330 3.5373 3.5373 8.2193 8.2193 8.2396 8.2396 9.5669 9.5669 9.5837 9.5837 9.8227 9.8227 k = 0.5000 0.1659 0.3082 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5162 -12.5162 -12.5162 -12.5162 -5.6361 -5.6361 -5.6361 -5.6361 -3.6148 -3.6148 -3.6147 -3.6147 -2.8494 -2.8494 -2.8493 -2.8493 0.6779 0.6779 0.6806 0.6806 0.8916 0.8916 0.8986 0.8986 1.2740 1.2740 1.2863 1.2863 1.7757 1.7757 1.7819 1.7819 1.9853 1.9853 2.0276 2.0276 2.7787 2.7787 2.7846 2.7846 3.1520 3.1520 3.1679 3.1679 3.5354 3.5354 3.5396 3.5396 8.2366 8.2366 8.2573 8.2573 9.5713 9.5713 9.5880 9.5880 9.8314 9.8314 k = 0.5000 0.1770 0.3082 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5162 -12.5162 -12.5162 -12.5162 -5.6358 -5.6358 -5.6358 -5.6358 -3.6169 -3.6169 -3.6167 -3.6167 -2.8491 -2.8491 -2.8490 -2.8490 0.6791 0.6791 0.6818 0.6818 0.8777 0.8777 0.8843 0.8843 1.2783 1.2783 1.2902 1.2902 1.7767 1.7767 1.7835 1.7835 1.9860 1.9860 2.0275 2.0275 2.7941 2.7941 2.7991 2.7991 3.1519 3.1519 3.1679 3.1679 3.5378 3.5378 3.5419 3.5419 8.2544 8.2544 8.2753 8.2753 9.5754 9.5754 9.5917 9.5917 9.8419 9.8419 k = 0.5000 0.1881 0.3082 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8255 -20.8255 -12.5162 -12.5162 -12.5162 -12.5162 -5.6354 -5.6354 -5.6354 -5.6354 -3.6188 -3.6188 -3.6186 -3.6186 -2.8488 -2.8488 -2.8487 -2.8487 0.6806 0.6806 0.6832 0.6832 0.8641 0.8641 0.8704 0.8704 1.2825 1.2825 1.2939 1.2939 1.7776 1.7776 1.7849 1.7849 1.9870 1.9870 2.0272 2.0272 2.8089 2.8089 2.8129 2.8129 3.1520 3.1520 3.1678 3.1678 3.5401 3.5401 3.5440 3.5440 8.2724 8.2724 8.2932 8.2932 9.5793 9.5793 9.5948 9.5948 9.8542 9.8542 k = 0.5000 0.1991 0.3082 ( 4400 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5161 -12.5161 -12.5161 -12.5161 -5.6351 -5.6351 -5.6350 -5.6350 -3.6207 -3.6207 -3.6205 -3.6205 -2.8485 -2.8485 -2.8485 -2.8485 0.6825 0.6825 0.6850 0.6850 0.8508 0.8508 0.8566 0.8566 1.2865 1.2865 1.2973 1.2973 1.7786 1.7786 1.7861 1.7861 1.9883 1.9883 2.0267 2.0267 2.8230 2.8230 2.8262 2.8262 3.1522 3.1522 3.1676 3.1676 3.5424 3.5424 3.5461 3.5461 8.2905 8.2905 8.3109 8.3109 9.5829 9.5829 9.5974 9.5974 9.8686 9.8686 k = 0.5000 0.2102 0.3082 ( 4400 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5161 -12.5161 -12.5161 -12.5161 -5.6347 -5.6347 -5.6347 -5.6347 -3.6224 -3.6224 -3.6223 -3.6223 -2.8482 -2.8482 -2.8482 -2.8482 0.6848 0.6848 0.6872 0.6872 0.8379 0.8379 0.8434 0.8434 1.2904 1.2904 1.3004 1.3004 1.7795 1.7795 1.7871 1.7871 1.9899 1.9899 2.0260 2.0260 2.8361 2.8361 2.8385 2.8385 3.1525 3.1525 3.1674 3.1674 3.5445 3.5445 3.5480 3.5480 8.3084 8.3084 8.3281 8.3281 9.5861 9.5861 9.5995 9.5995 9.8851 9.8851 k = 0.5000 0.2213 0.3082 ( 4400 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5160 -12.5160 -12.5160 -12.5160 -5.6344 -5.6344 -5.6344 -5.6344 -3.6241 -3.6241 -3.6239 -3.6239 -2.8480 -2.8480 -2.8480 -2.8480 0.6874 0.6874 0.6897 0.6897 0.8255 0.8255 0.8305 0.8305 1.2940 1.2940 1.3031 1.3031 1.7805 1.7805 1.7879 1.7879 1.9918 1.9918 2.0251 2.0251 2.8482 2.8482 2.8499 2.8499 3.1530 3.1530 3.1670 3.1670 3.5466 3.5466 3.5497 3.5497 8.3257 8.3257 8.3444 8.3444 9.5889 9.5889 9.6010 9.6010 9.9038 9.9038 k = 0.5000 0.2323 0.3082 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5160 -12.5160 -12.5160 -12.5160 -5.6341 -5.6341 -5.6341 -5.6341 -3.6256 -3.6256 -3.6254 -3.6254 -2.8478 -2.8478 -2.8478 -2.8478 0.6905 0.6905 0.6926 0.6926 0.8137 0.8137 0.8183 0.8183 1.2974 1.2974 1.3056 1.3056 1.7815 1.7815 1.7886 1.7886 1.9939 1.9939 2.0240 2.0240 2.8593 2.8593 2.8603 2.8603 3.1537 3.1537 3.1666 3.1666 3.5485 3.5485 3.5513 3.5513 8.3423 8.3423 8.3596 8.3596 9.5914 9.5914 9.6021 9.6021 9.9249 9.9249 k = 0.5000 0.2434 0.3082 ( 4392 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5160 -12.5160 -12.5160 -12.5160 -5.6339 -5.6339 -5.6339 -5.6339 -3.6269 -3.6269 -3.6268 -3.6268 -2.8476 -2.8476 -2.8476 -2.8476 0.6938 0.6938 0.6959 0.6959 0.8026 0.8026 0.8067 0.8067 1.3005 1.3005 1.3076 1.3076 1.7825 1.7825 1.7889 1.7889 1.9961 1.9961 2.0227 2.0227 2.8690 2.8690 2.8695 2.8695 3.1544 3.1544 3.1661 3.1661 3.5502 3.5502 3.5527 3.5527 8.3577 8.3577 8.3734 8.3734 9.5936 9.5936 9.6028 9.6028 9.9484 9.9484 k = 0.5000 0.2544 0.3082 ( 4388 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6337 -5.6337 -5.6336 -5.6336 -3.6281 -3.6281 -3.6280 -3.6280 -2.8474 -2.8474 -2.8474 -2.8474 0.6975 0.6975 0.6995 0.6995 0.7923 0.7923 0.7960 0.7960 1.3033 1.3033 1.3094 1.3094 1.7834 1.7834 1.7891 1.7891 1.9985 1.9985 2.0212 2.0212 2.8773 2.8773 2.8775 2.8775 3.1553 3.1553 3.1654 3.1654 3.5517 3.5517 3.5538 3.5538 8.3718 8.3718 8.3854 8.3854 9.5955 9.5955 9.6032 9.6032 9.9746 9.9746 k = 0.5000 0.2655 0.3082 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6335 -5.6335 -5.6335 -5.6335 -3.6290 -3.6290 -3.6290 -3.6290 -2.8473 -2.8473 -2.8473 -2.8473 0.7014 0.7014 0.7032 0.7032 0.7830 0.7830 0.7862 0.7862 1.3058 1.3058 1.3107 1.3107 1.7843 1.7843 1.7891 1.7891 2.0009 2.0009 2.0194 2.0194 2.8841 2.8841 2.8842 2.8842 3.1562 3.1562 3.1646 3.1646 3.5530 3.5530 3.5547 3.5547 8.3840 8.3840 8.3953 8.3953 9.5971 9.5971 9.6033 9.6033 10.0034 10.0034 k = 0.5000 0.2766 0.3082 ( 4380 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6333 -5.6333 -5.6333 -5.6333 -3.6298 -3.6298 -3.6297 -3.6297 -2.8472 -2.8472 -2.8472 -2.8472 0.7053 0.7053 0.7069 0.7069 0.7749 0.7749 0.7776 0.7776 1.3078 1.3078 1.3115 1.3115 1.7852 1.7852 1.7889 1.7889 2.0035 2.0035 2.0176 2.0176 2.8894 2.8894 2.8896 2.8896 3.1573 3.1573 3.1638 3.1638 3.5541 3.5541 3.5554 3.5554 8.3943 8.3943 8.4030 8.4030 9.5985 9.5985 9.6032 9.6032 10.0349 10.0349 k = 0.5000 0.2876 0.3082 ( 4392 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6332 -5.6332 -5.6332 -5.6332 -3.6304 -3.6304 -3.6303 -3.6303 -2.8471 -2.8471 -2.8471 -2.8471 0.7089 0.7089 0.7102 0.7102 0.7686 0.7686 0.7705 0.7705 1.3095 1.3095 1.3120 1.3120 1.7860 1.7860 1.7885 1.7885 2.0060 2.0060 2.0155 2.0155 2.8932 2.8932 2.8934 2.8934 3.1584 3.1584 3.1628 3.1628 3.5549 3.5549 3.5558 3.5558 8.4023 8.4023 8.4082 8.4082 9.5997 9.5997 9.6028 9.6028 10.0698 10.0698 k = 0.5000 0.2987 0.3082 ( 4388 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6332 -5.6332 -5.6332 -5.6332 -3.6307 -3.6307 -3.6307 -3.6307 -2.8471 -2.8471 -2.8470 -2.8470 0.7117 0.7117 0.7124 0.7124 0.7646 0.7646 0.7656 0.7656 1.3107 1.3107 1.3120 1.3120 1.7868 1.7868 1.7880 1.7880 2.0085 2.0085 2.0133 2.0133 2.8955 2.8955 2.8957 2.8957 3.1595 3.1595 3.1617 3.1617 3.5555 3.5555 3.5559 3.5559 8.4078 8.4078 8.4108 8.4108 9.6007 9.6007 9.6023 9.6023 10.1078 10.1078 k = 0.5000 0.3098 0.3082 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6331 -5.6331 -5.6331 -5.6331 -3.6308 -3.6308 -3.6308 -3.6308 -2.8470 -2.8470 -2.8470 -2.8470 0.7130 0.7130 0.7130 0.7130 0.7635 0.7635 0.7635 0.7635 1.3116 1.3116 1.3116 1.3116 1.7874 1.7874 1.7874 1.7874 2.0109 2.0109 2.0109 2.0109 2.8964 2.8964 2.8964 2.8964 3.1606 3.1606 3.1606 3.1606 3.5559 3.5559 3.5559 3.5559 8.4106 8.4106 8.4106 8.4106 9.6016 9.6016 9.6016 9.6016 10.1407 10.1407 k = 0.5000 0.3098 0.3082 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6331 -5.6331 -5.6331 -5.6331 -3.6308 -3.6308 -3.6308 -3.6308 -2.8470 -2.8470 -2.8470 -2.8470 0.7130 0.7130 0.7130 0.7130 0.7635 0.7635 0.7635 0.7635 1.3116 1.3116 1.3116 1.3116 1.7874 1.7874 1.7874 1.7874 2.0109 2.0109 2.0109 2.0109 2.8964 2.8964 2.8964 2.8964 3.1606 3.1606 3.1606 3.1606 3.5559 3.5559 3.5559 3.5559 8.4106 8.4106 8.4106 8.4106 9.6016 9.6016 9.6016 9.6016 10.1407 10.1407 k = 0.4886 0.3098 0.3082 ( 4388 PWs) bands (ev): -20.8256 -20.8256 -20.8255 -20.8255 -12.5160 -12.5160 -12.5159 -12.5159 -5.6334 -5.6334 -5.6333 -5.6333 -3.6306 -3.6306 -3.6300 -3.6300 -2.8473 -2.8473 -2.8471 -2.8471 0.7007 0.7007 0.7164 0.7164 0.7592 0.7592 0.7746 0.7746 1.3098 1.3098 1.3180 1.3180 1.7856 1.7856 1.7897 1.7897 2.0108 2.0108 2.0110 2.0110 2.8947 2.8947 2.8955 2.8955 3.1536 3.1536 3.1681 3.1681 3.5547 3.5547 3.5558 3.5558 8.4103 8.4103 8.4126 8.4126 9.5898 9.5898 9.5962 9.5962 10.1054 10.1054 k = 0.4773 0.3098 0.3082 ( 4400 PWs) bands (ev): -20.8257 -20.8257 -20.8256 -20.8256 -12.5163 -12.5163 -12.5162 -12.5162 -5.6342 -5.6342 -5.6340 -5.6340 -3.6295 -3.6295 -3.6283 -3.6283 -2.8479 -2.8479 -2.8474 -2.8474 0.6845 0.6845 0.7073 0.7073 0.7651 0.7651 0.7872 0.7872 1.3126 1.3126 1.3289 1.3289 1.7840 1.7840 1.7922 1.7922 2.0108 2.0108 2.0110 2.0110 2.8904 2.8904 2.8923 2.8923 3.1474 3.1474 3.1759 3.1759 3.5523 3.5523 3.5544 3.5544 8.4117 8.4117 8.4163 8.4163 9.5626 9.5626 9.5747 9.5747 10.0727 10.0727 k = 0.4659 0.3098 0.3082 ( 4396 PWs) bands (ev): -20.8260 -20.8260 -20.8257 -20.8257 -12.5167 -12.5167 -12.5166 -12.5166 -5.6354 -5.6354 -5.6351 -5.6351 -3.6275 -3.6275 -3.6256 -3.6256 -2.8489 -2.8489 -2.8481 -2.8481 0.6667 0.6667 0.6918 0.6918 0.7757 0.7757 0.7997 0.7997 1.3197 1.3197 1.3440 1.3440 1.7827 1.7827 1.7953 1.7953 2.0109 2.0109 2.0110 2.0110 2.8831 2.8831 2.8870 2.8870 3.1422 3.1422 3.1840 3.1840 3.5486 3.5486 3.5518 3.5518 8.4146 8.4146 8.4216 8.4216 9.5236 9.5236 9.5407 9.5407 10.0477 10.0477 k = 0.4545 0.3098 0.3082 ( 4384 PWs) bands (ev): -20.8263 -20.8263 -20.8260 -20.8260 -12.5174 -12.5174 -12.5172 -12.5172 -5.6370 -5.6370 -5.6367 -5.6367 -3.6245 -3.6245 -3.6220 -3.6220 -2.8501 -2.8501 -2.8491 -2.8491 0.6477 0.6477 0.6739 0.6739 0.7874 0.7874 0.8116 0.8116 1.3307 1.3307 1.3628 1.3628 1.7817 1.7817 1.7989 1.7989 2.0109 2.0109 2.0112 2.0112 2.8729 2.8729 2.8798 2.8798 3.1382 3.1382 3.1921 3.1921 3.5437 3.5437 3.5480 3.5480 8.4186 8.4186 8.4280 8.4280 9.4770 9.4770 9.4984 9.4984 10.0290 10.0290 k = 0.4432 0.3098 0.3082 ( 4380 PWs) bands (ev): -20.8267 -20.8267 -20.8263 -20.8263 -12.5182 -12.5182 -12.5180 -12.5180 -5.6391 -5.6391 -5.6387 -5.6387 -3.6206 -3.6206 -3.6175 -3.6175 -2.8517 -2.8517 -2.8505 -2.8505 0.6283 0.6283 0.6549 0.6549 0.7992 0.7992 0.8229 0.8229 1.3449 1.3449 1.3846 1.3846 1.7809 1.7809 1.8032 1.8032 2.0108 2.0108 2.0117 2.0117 2.8597 2.8597 2.8707 2.8707 3.1355 3.1355 3.2002 3.2002 3.5376 3.5376 3.5430 3.5430 8.4234 8.4234 8.4353 8.4353 9.4267 9.4267 9.4516 9.4516 10.0146 10.0146 k = 0.4318 0.3098 0.3082 ( 4384 PWs) bands (ev): -20.8272 -20.8272 -20.8267 -20.8267 -12.5192 -12.5192 -12.5190 -12.5190 -5.6417 -5.6417 -5.6412 -5.6412 -3.6158 -3.6158 -3.6122 -3.6122 -2.8535 -2.8535 -2.8521 -2.8521 0.6086 0.6086 0.6356 0.6356 0.8109 0.8109 0.8338 0.8338 1.3617 1.3617 1.4087 1.4087 1.7803 1.7803 1.8081 1.8081 2.0104 2.0104 2.0125 2.0125 2.8435 2.8435 2.8600 2.8600 3.1340 3.1340 3.2083 3.2083 3.5304 3.5304 3.5368 3.5368 8.4283 8.4283 8.4428 8.4428 9.3755 9.3755 9.4036 9.4036 10.0029 10.0029 k = 0.4205 0.3098 0.3082 ( 4388 PWs) bands (ev): -20.8277 -20.8277 -20.8272 -20.8272 -12.5203 -12.5203 -12.5201 -12.5201 -5.6447 -5.6447 -5.6441 -5.6441 -3.6101 -3.6101 -3.6059 -3.6059 -2.8556 -2.8556 -2.8540 -2.8540 0.5891 0.5891 0.6164 0.6164 0.8224 0.8224 0.8444 0.8444 1.3802 1.3802 1.4344 1.4344 1.7800 1.7800 1.8139 1.8139 2.0100 2.0100 2.0137 2.0137 2.8245 2.8245 2.8476 2.8476 3.1339 3.1339 3.2163 3.2163 3.5220 3.5220 3.5296 3.5296 8.4326 8.4326 8.4498 8.4498 9.3259 9.3259 9.3568 9.3568 9.9926 9.9926 k = 0.4091 0.3098 0.3082 ( 4388 PWs) bands (ev): -20.8283 -20.8283 -20.8277 -20.8277 -12.5216 -12.5216 -12.5213 -12.5213 -5.6481 -5.6481 -5.6475 -5.6475 -3.6036 -3.6036 -3.5989 -3.5989 -2.8581 -2.8581 -2.8562 -2.8562 0.5701 0.5701 0.5975 0.5975 0.8340 0.8340 0.8550 0.8550 1.3998 1.3998 1.4610 1.4610 1.7799 1.7799 1.8207 1.8207 2.0094 2.0094 2.0155 2.0155 2.8029 2.8029 2.8338 2.8338 3.1351 3.1351 3.2244 3.2244 3.5127 3.5127 3.5214 3.5214 8.4355 8.4355 8.4552 8.4552 9.2799 9.2799 9.3132 9.3132 9.9829 9.9829 k = 0.3977 0.3098 0.3082 ( 4384 PWs) bands (ev): -20.8290 -20.8290 -20.8283 -20.8283 -12.5231 -12.5231 -12.5228 -12.5228 -5.6519 -5.6519 -5.6512 -5.6512 -3.5963 -3.5963 -3.5910 -3.5910 -2.8607 -2.8607 -2.8587 -2.8587 0.5517 0.5517 0.5794 0.5794 0.8458 0.8458 0.8656 0.8656 1.4199 1.4199 1.4879 1.4879 1.7799 1.7799 1.8288 1.8288 2.0086 2.0086 2.0179 2.0179 2.7790 2.7790 2.8185 2.8185 3.1374 3.1374 3.2325 3.2325 3.5025 3.5025 3.5123 3.5123 8.4360 8.4360 8.4578 8.4578 9.2393 9.2393 9.2745 9.2745 9.9737 9.9737 k = 0.3864 0.3098 0.3082 ( 4396 PWs) bands (ev): -20.8297 -20.8297 -20.8290 -20.8290 -12.5247 -12.5247 -12.5243 -12.5243 -5.6561 -5.6561 -5.6554 -5.6554 -3.5881 -3.5881 -3.5823 -3.5823 -2.8636 -2.8636 -2.8615 -2.8615 0.5343 0.5343 0.5621 0.5621 0.8577 0.8577 0.8765 0.8765 1.4396 1.4396 1.5141 1.5141 1.7802 1.7802 1.8381 1.8381 2.0077 2.0077 2.0210 2.0210 2.7530 2.7530 2.8018 2.8018 3.1409 3.1409 3.2407 3.2407 3.4915 3.4915 3.5024 3.5024 8.4329 8.4329 8.4565 8.4565 9.2057 9.2057 9.2420 9.2420 9.9650 9.9650 k = 0.3750 0.3098 0.3082 ( 4392 PWs) bands (ev): -20.8305 -20.8305 -20.8297 -20.8297 -12.5264 -12.5264 -12.5261 -12.5261 -5.6607 -5.6607 -5.6599 -5.6599 -3.5792 -3.5792 -3.5729 -3.5729 -2.8668 -2.8668 -2.8645 -2.8645 0.5180 0.5180 0.5459 0.5459 0.8700 0.8700 0.8878 0.8878 1.4585 1.4585 1.5392 1.5392 1.7806 1.7806 1.8490 1.8490 2.0066 2.0066 2.0250 2.0250 2.7253 2.7253 2.7839 2.7839 3.1456 3.1456 3.2492 3.2492 3.4798 3.4798 3.4920 3.4920 8.4254 8.4254 8.4501 8.4501 9.1803 9.1803 9.2168 9.2168 9.9566 9.9566 k = 0.3636 0.3098 0.3082 ( 4396 PWs) bands (ev): -20.8314 -20.8314 -20.8305 -20.8305 -12.5283 -12.5283 -12.5279 -12.5279 -5.6657 -5.6657 -5.6648 -5.6648 -3.5696 -3.5696 -3.5628 -3.5628 -2.8702 -2.8702 -2.8677 -2.8677 0.5030 0.5030 0.5309 0.5309 0.8827 0.8827 0.8995 0.8995 1.4761 1.4761 1.5625 1.5625 1.7811 1.7811 1.8613 1.8613 2.0054 2.0054 2.0299 2.0299 2.6960 2.6960 2.7649 2.7649 3.1513 3.1513 3.2578 3.2578 3.4676 3.4676 3.4811 3.4811 8.4127 8.4127 8.4376 8.4376 9.1641 9.1641 9.1998 9.1998 9.9487 9.9487 k = 0.3523 0.3098 0.3082 ( 4412 PWs) bands (ev): -20.8323 -20.8323 -20.8313 -20.8313 -12.5303 -12.5303 -12.5299 -12.5299 -5.6710 -5.6710 -5.6701 -5.6701 -3.5592 -3.5592 -3.5521 -3.5521 -2.8737 -2.8737 -2.8712 -2.8712 0.4894 0.4894 0.5172 0.5172 0.8958 0.8958 0.9117 0.9117 1.4918 1.4918 1.5836 1.5836 1.7817 1.7817 1.8750 1.8750 2.0040 2.0040 2.0358 2.0358 2.6655 2.6655 2.7447 2.7447 3.1579 3.1579 3.2665 3.2665 3.4550 3.4550 3.4701 3.4701 8.3945 8.3945 8.4187 8.4187 9.1573 9.1573 9.1910 9.1910 9.9413 9.9413 k = 0.3409 0.3098 0.3082 ( 4408 PWs) bands (ev): -20.8332 -20.8332 -20.8322 -20.8322 -12.5324 -12.5324 -12.5319 -12.5319 -5.6766 -5.6766 -5.6756 -5.6756 -3.5483 -3.5483 -3.5407 -3.5407 -2.8775 -2.8775 -2.8748 -2.8748 0.4773 0.4773 0.5050 0.5050 0.9095 0.9095 0.9245 0.9245 1.5055 1.5055 1.6023 1.6023 1.7823 1.7823 1.8899 1.8899 2.0025 2.0025 2.0426 2.0426 2.6341 2.6341 2.7235 2.7235 3.1654 3.1654 3.2752 3.2752 3.4424 3.4424 3.4594 3.4594 8.3709 8.3709 8.3936 8.3936 9.1595 9.1595 9.1903 9.1903 9.9347 9.9347 k = 0.3295 0.3098 0.3082 ( 4404 PWs) bands (ev): -20.8342 -20.8342 -20.8332 -20.8332 -12.5346 -12.5346 -12.5341 -12.5341 -5.6824 -5.6824 -5.6814 -5.6814 -3.5367 -3.5367 -3.5288 -3.5288 -2.8814 -2.8814 -2.8786 -2.8786 0.4669 0.4669 0.4943 0.4943 0.9238 0.9238 0.9381 0.9381 1.5168 1.5168 1.6186 1.6186 1.7828 1.7828 1.9055 1.9055 2.0009 2.0009 2.0503 2.0503 2.6020 2.6020 2.7015 2.7015 3.1736 3.1736 3.2835 3.2835 3.4301 3.4301 3.4495 3.4495 8.3423 8.3423 8.3629 8.3629 9.1697 9.1697 9.1969 9.1969 9.9290 9.9290 k = 0.3182 0.3098 0.3082 ( 4408 PWs) bands (ev): -20.8352 -20.8352 -20.8342 -20.8342 -12.5368 -12.5368 -12.5363 -12.5363 -5.6885 -5.6885 -5.6875 -5.6875 -3.5246 -3.5246 -3.5164 -3.5164 -2.8854 -2.8854 -2.8826 -2.8826 0.4581 0.4581 0.4850 0.4850 0.9386 0.9386 0.9522 0.9522 1.5257 1.5257 1.6324 1.6324 1.7832 1.7832 1.9209 1.9209 1.9994 1.9994 2.0586 2.0586 2.5696 2.5696 2.6786 2.6786 3.1823 3.1823 3.2908 3.2908 3.4185 3.4185 3.4412 3.4412 8.3094 8.3094 8.3277 8.3277 9.1866 9.1866 9.2095 9.2095 9.9247 9.9247 k = 0.3068 0.3098 0.3082 ( 4420 PWs) bands (ev): -20.8362 -20.8362 -20.8352 -20.8352 -12.5392 -12.5392 -12.5387 -12.5387 -5.6949 -5.6949 -5.6939 -5.6939 -3.5121 -3.5121 -3.5036 -3.5036 -2.8896 -2.8896 -2.8867 -2.8867 0.4509 0.4509 0.4774 0.4774 0.9540 0.9540 0.9670 0.9670 1.5322 1.5322 1.6440 1.6440 1.7833 1.7833 1.9354 1.9354 1.9981 1.9981 2.0675 2.0675 2.5372 2.5372 2.6551 2.6551 3.1910 3.1910 3.2962 3.2962 3.4081 3.4081 3.4357 3.4357 8.2731 8.2731 8.2890 8.2890 9.2086 9.2086 9.2270 9.2270 9.9221 9.9221 k = 0.2955 0.3098 0.3082 ( 4416 PWs) bands (ev): -20.8373 -20.8373 -20.8362 -20.8362 -12.5416 -12.5416 -12.5410 -12.5410 -5.7015 -5.7015 -5.7004 -5.7004 -3.4991 -3.4991 -3.4903 -3.4903 -2.8938 -2.8938 -2.8909 -2.8909 0.4455 0.4455 0.4713 0.4713 0.9701 0.9701 0.9826 0.9826 1.5364 1.5364 1.6537 1.6537 1.7832 1.7832 1.9478 1.9478 1.9975 1.9975 2.0765 2.0765 2.5051 2.5051 2.6309 2.6309 3.1993 3.1993 3.2985 3.2985 3.3997 3.3997 3.4342 3.4342 8.2342 8.2342 8.2477 8.2477 9.2342 9.2342 9.2480 9.2480 9.9217 9.9217 k = 0.2841 0.3098 0.3082 ( 4412 PWs) bands (ev): -20.8384 -20.8384 -20.8373 -20.8373 -12.5440 -12.5440 -12.5435 -12.5435 -5.7082 -5.7082 -5.7071 -5.7071 -3.4857 -3.4857 -3.4768 -3.4768 -2.8981 -2.8981 -2.8952 -2.8952 0.4418 0.4418 0.4667 0.4667 0.9868 0.9868 0.9988 0.9988 1.5385 1.5385 1.6618 1.6618 1.7828 1.7828 1.9567 1.9567 1.9982 1.9982 2.0855 2.0855 2.4737 2.4737 2.6062 2.6062 3.2062 3.2062 3.2971 3.2971 3.3944 3.3944 3.4377 3.4377 8.1934 8.1934 8.2048 8.2048 9.2618 9.2618 9.2711 9.2711 9.9241 9.9241 k = 0.2727 0.3098 0.3082 ( 4404 PWs) bands (ev): -20.8395 -20.8395 -20.8384 -20.8384 -12.5465 -12.5465 -12.5459 -12.5459 -5.7150 -5.7150 -5.7139 -5.7139 -3.4720 -3.4720 -3.4629 -3.4629 -2.9025 -2.9025 -2.8996 -2.8996 0.4397 0.4397 0.4637 0.4637 1.0041 1.0041 1.0157 1.0157 1.5386 1.5386 1.6685 1.6685 1.7821 1.7821 1.9611 1.9611 2.0005 2.0005 2.0940 2.0940 2.4433 2.4433 2.5811 2.5811 3.2108 3.2108 3.2918 3.2918 3.3932 3.3932 3.4463 3.4463 8.1515 8.1515 8.1609 8.1609 9.2901 9.2901 9.2950 9.2950 9.9299 9.9299 k = 0.2614 0.3098 0.3082 ( 4408 PWs) bands (ev): -20.8406 -20.8406 -20.8395 -20.8395 -12.5490 -12.5490 -12.5484 -12.5484 -5.7220 -5.7220 -5.7209 -5.7209 -3.4580 -3.4580 -3.4489 -3.4489 -2.9069 -2.9069 -2.9040 -2.9040 0.4393 0.4393 0.4622 0.4622 1.0220 1.0220 1.0333 1.0333 1.5369 1.5369 1.6740 1.6740 1.7811 1.7811 1.9611 1.9611 2.0037 2.0037 2.1018 2.1018 2.4142 2.4142 2.5556 2.5556 3.2124 3.2124 3.2833 3.2833 3.3969 3.3969 3.4594 3.4594 8.1090 8.1090 8.1165 8.1165 9.3178 9.3178 9.3186 9.3186 9.9397 9.9397 k = 0.2500 0.3098 0.3082 ( 4404 PWs) bands (ev): -20.8418 -20.8418 -20.8406 -20.8406 -12.5515 -12.5515 -12.5509 -12.5509 -5.7290 -5.7290 -5.7279 -5.7279 -3.4439 -3.4439 -3.4347 -3.4347 -2.9114 -2.9114 -2.9085 -2.9085 0.4405 0.4405 0.4622 0.4622 1.0406 1.0406 1.0515 1.0515 1.5336 1.5336 1.6786 1.6786 1.7799 1.7799 1.9577 1.9577 2.0063 2.0063 2.1086 2.1086 2.3868 2.3868 2.5298 2.5298 3.2106 3.2106 3.2726 3.2726 3.4061 3.4061 3.4762 3.4762 8.0662 8.0662 8.0721 8.0721 9.3408 9.3408 9.3436 9.3436 9.9542 9.9542 k = 0.2386 0.3098 0.3082 ( 4408 PWs) bands (ev): -20.8429 -20.8429 -20.8417 -20.8417 -12.5540 -12.5540 -12.5534 -12.5534 -5.7360 -5.7360 -5.7349 -5.7349 -3.4297 -3.4297 -3.4204 -3.4204 -2.9158 -2.9158 -2.9130 -2.9130 0.4432 0.4432 0.4635 0.4635 1.0597 1.0597 1.0703 1.0703 1.5290 1.5290 1.6823 1.6823 1.7784 1.7784 1.9516 1.9516 2.0073 2.0073 2.1141 2.1141 2.3612 2.3612 2.5038 2.5038 3.2056 3.2056 3.2605 3.2605 3.4204 3.4204 3.4958 3.4958 8.0236 8.0236 8.0280 8.0280 9.3607 9.3607 9.3667 9.3667 9.9738 9.9738 k = 0.2273 0.3098 0.3082 ( 4404 PWs) bands (ev): -20.8440 -20.8440 -20.8429 -20.8429 -12.5565 -12.5565 -12.5559 -12.5559 -5.7431 -5.7431 -5.7420 -5.7420 -3.4154 -3.4154 -3.4062 -3.4062 -2.9202 -2.9202 -2.9174 -2.9174 0.4473 0.4473 0.4661 0.4661 1.0793 1.0793 1.0897 1.0897 1.5234 1.5234 1.6853 1.6853 1.7767 1.7767 1.9431 1.9431 2.0065 2.0065 2.1183 2.1183 2.3375 2.3375 2.4776 2.4776 3.1983 3.1983 3.2475 3.2475 3.4390 3.4390 3.5176 3.5176 7.9815 7.9815 7.9846 7.9846 9.3778 9.3778 9.3863 9.3863 9.9989 9.9989 k = 0.2159 0.3098 0.3082 ( 4404 PWs) bands (ev): -20.8451 -20.8451 -20.8440 -20.8440 -12.5589 -12.5589 -12.5584 -12.5584 -5.7501 -5.7501 -5.7490 -5.7490 -3.4011 -3.4011 -3.3920 -3.3920 -2.9246 -2.9246 -2.9219 -2.9219 0.4527 0.4527 0.4699 0.4699 1.0995 1.0995 1.1096 1.1096 1.5168 1.5168 1.6876 1.6876 1.7748 1.7748 1.9321 1.9321 2.0043 2.0043 2.1211 2.1211 2.3156 2.3156 2.4512 2.4512 3.1894 3.1894 3.2342 3.2342 3.4611 3.4611 3.5410 3.5410 7.9400 7.9400 7.9421 7.9421 9.3917 9.3917 9.4021 9.4021 10.0294 10.0294 k = 0.2045 0.3098 0.3082 ( 4412 PWs) bands (ev): -20.8461 -20.8461 -20.8451 -20.8451 -12.5614 -12.5614 -12.5608 -12.5608 -5.7570 -5.7570 -5.7559 -5.7559 -3.3870 -3.3870 -3.3779 -3.3779 -2.9289 -2.9289 -2.9263 -2.9263 0.4594 0.4594 0.4748 0.4748 1.1201 1.1201 1.1299 1.1299 1.5096 1.5096 1.6891 1.6891 1.7728 1.7728 1.9186 1.9186 2.0010 2.0010 2.1223 2.1223 2.2951 2.2951 2.4246 2.4246 3.1796 3.1796 3.2208 3.2208 3.4858 3.4858 3.5657 3.5657 7.8995 7.8995 7.9007 7.9007 9.4025 9.4025 9.4141 9.4141 10.0650 10.0650 k = 0.1932 0.3098 0.3082 ( 4400 PWs) bands (ev): -20.8472 -20.8472 -20.8461 -20.8461 -12.5637 -12.5637 -12.5632 -12.5632 -5.7638 -5.7638 -5.7627 -5.7627 -3.3729 -3.3729 -3.3641 -3.3641 -2.9331 -2.9331 -2.9306 -2.9306 0.4671 0.4671 0.4807 0.4807 1.1411 1.1411 1.1506 1.1506 1.5020 1.5020 1.6898 1.6898 1.7708 1.7708 1.9030 1.9030 1.9972 1.9972 2.1221 2.1221 2.2758 2.2758 2.3980 2.3980 3.1694 3.1694 3.2076 3.2076 3.5126 3.5126 3.5913 3.5913 7.8602 7.8602 7.8605 7.8605 9.4103 9.4103 9.4226 9.4226 10.1052 10.1052 k = 0.1818 0.3098 0.3082 ( 4416 PWs) bands (ev): -20.8482 -20.8482 -20.8472 -20.8472 -12.5660 -12.5660 -12.5655 -12.5655 -5.7704 -5.7704 -5.7694 -5.7694 -3.3592 -3.3592 -3.3505 -3.3505 -2.9372 -2.9372 -2.9349 -2.9349 0.4758 0.4758 0.4875 0.4875 1.1625 1.1625 1.1715 1.1715 1.4942 1.4942 1.6895 1.6895 1.7688 1.7688 1.8857 1.8857 1.9932 1.9932 2.1204 2.1204 2.2571 2.2571 2.3712 2.3712 3.1591 3.1591 3.1947 3.1947 3.5407 3.5407 3.6173 3.6173 7.8218 7.8218 7.8221 7.8221 9.4154 9.4154 9.4279 9.4279 10.1493 10.1493 k = 0.1705 0.3098 0.3082 ( 4432 PWs) bands (ev): -20.8492 -20.8492 -20.8482 -20.8482 -12.5683 -12.5683 -12.5678 -12.5678 -5.7768 -5.7768 -5.7759 -5.7759 -3.3457 -3.3457 -3.3373 -3.3373 -2.9412 -2.9412 -2.9390 -2.9390 0.4853 0.4853 0.4950 0.4950 1.1840 1.1840 1.1925 1.1925 1.4864 1.4864 1.6877 1.6877 1.7667 1.7667 1.8678 1.8678 1.9893 1.9893 2.1174 2.1174 2.2387 2.2387 2.3444 2.3444 3.1490 3.1490 3.1822 3.1822 3.5697 3.5697 3.6435 3.6435 7.7846 7.7846 7.7855 7.7855 9.4183 9.4183 9.4306 9.4306 10.1964 10.1964 k = 0.1591 0.3098 0.3082 ( 4428 PWs) bands (ev): -20.8501 -20.8501 -20.8492 -20.8492 -12.5704 -12.5704 -12.5699 -12.5699 -5.7830 -5.7830 -5.7821 -5.7821 -3.3326 -3.3326 -3.3245 -3.3245 -2.9451 -2.9451 -2.9431 -2.9431 0.4954 0.4954 0.5032 0.5032 1.2058 1.2058 1.2134 1.2134 1.4790 1.4790 1.6840 1.6840 1.7648 1.7648 1.8505 1.8505 1.9854 1.9854 2.1132 2.1132 2.2205 2.2205 2.3176 2.3176 3.1394 3.1394 3.1703 3.1703 3.5991 3.5991 3.6697 3.6697 7.7492 7.7492 7.7505 7.7505 9.4194 9.4194 9.4313 9.4313 10.2458 10.2458 k = 0.1477 0.3098 0.3082 ( 4440 PWs) bands (ev): -20.8510 -20.8510 -20.8501 -20.8501 -12.5724 -12.5724 -12.5720 -12.5720 -5.7890 -5.7890 -5.7881 -5.7881 -3.3200 -3.3200 -3.3122 -3.3122 -2.9489 -2.9489 -2.9469 -2.9469 0.5060 0.5060 0.5118 0.5118 1.2276 1.2276 1.2341 1.2341 1.4722 1.4722 1.6776 1.6776 1.7631 1.7631 1.8351 1.8351 1.9816 1.9816 2.1079 2.1079 2.2021 2.2021 2.2907 2.2907 3.1303 3.1303 3.1590 3.1590 3.6286 3.6286 3.6954 3.6954 7.7155 7.7155 7.7172 7.7172 9.4190 9.4190 9.4303 9.4303 10.2967 10.2967 k = 0.1364 0.3098 0.3082 ( 4440 PWs) bands (ev): -20.8519 -20.8519 -20.8510 -20.8510 -12.5744 -12.5744 -12.5740 -12.5740 -5.7946 -5.7946 -5.7938 -5.7938 -3.3079 -3.3079 -3.3005 -3.3005 -2.9525 -2.9525 -2.9507 -2.9507 0.5169 0.5169 0.5208 0.5208 1.2494 1.2494 1.2544 1.2544 1.4662 1.4662 1.6679 1.6679 1.7617 1.7617 1.8227 1.8227 1.9777 1.9777 2.1016 2.1016 2.1836 2.1836 2.2640 2.2640 3.1219 3.1219 3.1485 3.1485 3.6577 3.6577 3.7204 3.7204 7.6838 7.6838 7.6858 7.6858 9.4175 9.4175 9.4282 9.4282 10.3485 10.3485 k = 0.1250 0.3098 0.3082 ( 4448 PWs) bands (ev): -20.8527 -20.8527 -20.8519 -20.8519 -12.5762 -12.5762 -12.5758 -12.5758 -5.8000 -5.8000 -5.7992 -5.7992 -3.2963 -3.2963 -3.2894 -3.2894 -2.9559 -2.9559 -2.9542 -2.9542 0.5278 0.5278 0.5300 0.5300 1.2710 1.2710 1.2739 1.2739 1.4613 1.4613 1.6547 1.6547 1.7607 1.7607 1.8142 1.8142 1.9737 1.9737 2.0945 2.0945 2.1650 2.1650 2.2375 2.2375 3.1141 3.1141 3.1386 3.1386 3.6861 3.6861 3.7443 3.7443 7.6542 7.6542 7.6563 7.6563 9.4152 9.4152 9.4251 9.4251 10.4004 10.4004 k = 0.1136 0.3098 0.3082 ( 4444 PWs) bands (ev): -20.8534 -20.8534 -20.8526 -20.8526 -12.5779 -12.5779 -12.5775 -12.5775 -5.8049 -5.8049 -5.8042 -5.8042 -3.2855 -3.2855 -3.2790 -3.2790 -2.9591 -2.9591 -2.9576 -2.9576 0.5385 0.5385 0.5392 0.5392 1.2923 1.2923 1.2925 1.2925 1.4579 1.4579 1.6381 1.6381 1.7603 1.7603 1.8099 1.8099 1.9693 1.9693 2.0864 2.0864 2.1467 2.1467 2.2114 2.2114 3.1072 3.1072 3.1295 3.1295 3.7134 3.7134 3.7669 3.7669 7.6268 7.6268 7.6290 7.6290 9.4125 9.4125 9.4216 9.4216 10.4517 10.4517 k = 0.1023 0.3098 0.3082 ( 4448 PWs) bands (ev): -20.8540 -20.8540 -20.8534 -20.8534 -12.5794 -12.5794 -12.5791 -12.5791 -5.8095 -5.8095 -5.8088 -5.8088 -3.2753 -3.2753 -3.2694 -3.2694 -2.9621 -2.9621 -2.9608 -2.9608 0.5482 0.5482 0.5490 0.5490 1.3097 1.3097 1.3130 1.3130 1.4560 1.4560 1.6191 1.6191 1.7606 1.7606 1.8092 1.8092 1.9643 1.9643 2.0775 2.0775 2.1288 2.1288 2.1861 2.1861 3.1010 3.1010 3.1211 3.1211 3.7393 3.7393 3.7880 3.7880 7.6016 7.6016 7.6038 7.6038 9.4094 9.4094 9.4177 9.4177 10.5019 10.5019 k = 0.0909 0.3098 0.3082 ( 4444 PWs) bands (ev): -20.8547 -20.8547 -20.8540 -20.8540 -12.5808 -12.5808 -12.5805 -12.5805 -5.8137 -5.8137 -5.8131 -5.8131 -3.2660 -3.2660 -3.2606 -3.2606 -2.9648 -2.9648 -2.9637 -2.9637 0.5570 0.5570 0.5589 0.5589 1.3255 1.3255 1.3330 1.3330 1.4557 1.4557 1.5984 1.5984 1.7620 1.7620 1.8116 1.8116 1.9584 1.9584 2.0676 2.0676 2.1121 2.1121 2.1618 2.1618 3.0957 3.0957 3.1136 3.1136 3.7636 3.7636 3.8073 3.8073 7.5788 7.5788 7.5810 7.5810 9.4063 9.4063 9.4137 9.4137 10.5502 10.5503 k = 0.0795 0.3098 0.3082 ( 4448 PWs) bands (ev): -20.8552 -20.8552 -20.8546 -20.8546 -12.5821 -12.5821 -12.5818 -12.5818 -5.8174 -5.8174 -5.8168 -5.8168 -3.2575 -3.2575 -3.2527 -3.2527 -2.9673 -2.9673 -2.9663 -2.9663 0.5654 0.5654 0.5681 0.5681 1.3398 1.3398 1.3519 1.3519 1.4570 1.4570 1.5770 1.5770 1.7646 1.7646 1.8166 1.8166 1.9514 1.9514 2.0564 2.0564 2.0969 2.0969 2.1393 2.1393 3.0910 3.0910 3.1068 3.1068 3.7861 3.7861 3.8245 3.8245 7.5585 7.5585 7.5605 7.5605 9.4033 9.4033 9.4097 9.4097 10.5960 10.5960 k = 0.0682 0.3098 0.3082 ( 4436 PWs) bands (ev): -20.8556 -20.8556 -20.8552 -20.8552 -12.5832 -12.5832 -12.5829 -12.5829 -5.8206 -5.8206 -5.8202 -5.8202 -3.2500 -3.2500 -3.2458 -3.2458 -2.9695 -2.9695 -2.9687 -2.9687 0.5732 0.5732 0.5763 0.5763 1.3526 1.3526 1.3697 1.3697 1.4594 1.4594 1.5557 1.5557 1.7687 1.7687 1.8234 1.8234 1.9430 1.9430 2.0433 2.0433 2.0839 2.0839 2.1192 2.1192 3.0872 3.0872 3.1007 3.1007 3.8064 3.8064 3.8395 3.8395 7.5407 7.5407 7.5426 7.5426 9.4005 9.4005 9.4060 9.4060 10.6376 10.6383 k = 0.0568 0.3098 0.3082 ( 4420 PWs) bands (ev): -20.8560 -20.8560 -20.8556 -20.8556 -12.5841 -12.5841 -12.5839 -12.5839 -5.8234 -5.8234 -5.8230 -5.8230 -3.2434 -3.2434 -3.2398 -3.2398 -2.9714 -2.9714 -2.9707 -2.9707 0.5802 0.5802 0.5835 0.5835 1.3644 1.3644 1.3858 1.3858 1.4623 1.4623 1.5350 1.5350 1.7745 1.7745 1.8314 1.8314 1.9337 1.9337 2.0281 2.0281 2.0736 2.0736 2.1024 2.1024 3.0842 3.0842 3.0955 3.0955 3.8243 3.8243 3.8521 3.8521 7.5256 7.5256 7.5272 7.5272 9.3981 9.3981 9.4027 9.4027 10.6752 10.6752 k = 0.0455 0.3098 0.3082 ( 4432 PWs) bands (ev): -20.8563 -20.8563 -20.8560 -20.8560 -12.5849 -12.5849 -12.5847 -12.5847 -5.8257 -5.8257 -5.8254 -5.8254 -3.2379 -3.2379 -3.2350 -3.2350 -2.9730 -2.9730 -2.9725 -2.9725 0.5862 0.5862 0.5894 0.5894 1.3755 1.3755 1.3999 1.3999 1.4651 1.4651 1.5155 1.5155 1.7821 1.7821 1.8392 1.8392 1.9244 1.9244 2.0108 2.0108 2.0660 2.0660 2.0888 2.0888 3.0819 3.0819 3.0909 3.0909 3.8398 3.8398 3.8621 3.8621 7.5131 7.5131 7.5145 7.5145 9.3960 9.3960 9.3997 9.3997 10.7079 10.7079 k = 0.0341 0.3098 0.3082 ( 4428 PWs) bands (ev): -20.8566 -20.8566 -20.8563 -20.8563 -12.5855 -12.5855 -12.5853 -12.5853 -5.8275 -5.8275 -5.8273 -5.8273 -3.2335 -3.2335 -3.2313 -3.2313 -2.9742 -2.9742 -2.9739 -2.9739 0.5913 0.5913 0.5939 0.5939 1.3865 1.3865 1.4113 1.4113 1.4671 1.4671 1.4979 1.4979 1.7916 1.7916 1.8448 1.8448 1.9176 1.9176 1.9921 1.9921 2.0612 2.0612 2.0783 2.0783 3.0804 3.0804 3.0872 3.0872 3.8526 3.8526 3.8693 3.8693 7.5034 7.5034 7.5045 7.5045 9.3944 9.3944 9.3972 9.3972 10.7348 10.7348 k = 0.0227 0.3098 0.3082 ( 4436 PWs) bands (ev): -20.8567 -20.8567 -20.8566 -20.8566 -12.5859 -12.5859 -12.5858 -12.5858 -5.8288 -5.8288 -5.8287 -5.8287 -3.2302 -3.2302 -3.2287 -3.2287 -2.9751 -2.9751 -2.9749 -2.9749 0.5952 0.5952 0.5971 0.5971 1.3972 1.3972 1.4188 1.4188 1.4681 1.4681 1.4834 1.4834 1.8026 1.8026 1.8449 1.8449 1.9171 1.9171 1.9730 1.9730 2.0589 2.0589 2.0704 2.0704 3.0797 3.0797 3.0842 3.0842 3.8626 3.8626 3.8738 3.8738 7.4965 7.4965 7.4973 7.4973 9.3934 9.3934 9.3953 9.3953 10.7550 10.7550 k = 0.0114 0.3098 0.3082 ( 4436 PWs) bands (ev): -20.8568 -20.8568 -20.8567 -20.8567 -12.5861 -12.5861 -12.5861 -12.5861 -5.8296 -5.8296 -5.8295 -5.8295 -3.2280 -3.2280 -3.2273 -3.2273 -2.9756 -2.9756 -2.9755 -2.9755 0.5978 0.5978 0.5988 0.5988 1.4077 1.4077 1.4208 1.4208 1.4684 1.4684 1.4736 1.4736 1.8148 1.8148 1.8382 1.8382 1.9246 1.9246 1.9546 1.9546 2.0588 2.0588 2.0646 2.0646 3.0797 3.0797 3.0819 3.0819 3.8698 3.8698 3.8754 3.8754 7.4925 7.4925 7.4928 7.4928 9.3930 9.3930 9.3939 9.3939 10.7678 10.7680 k = 0.0000 0.3098 0.3082 ( 4424 PWs) bands (ev): -20.8568 -20.8568 -20.8568 -20.8568 -12.5862 -12.5862 -12.5862 -12.5862 -5.8298 -5.8298 -5.8298 -5.8298 -3.2271 -3.2271 -3.2271 -3.2271 -2.9758 -2.9758 -2.9758 -2.9758 0.5990 0.5990 0.5990 0.5990 1.4164 1.4164 1.4164 1.4164 1.4694 1.4694 1.4694 1.4694 1.8273 1.8273 1.8273 1.8273 1.9379 1.9379 1.9379 1.9379 2.0609 2.0609 2.0609 2.0609 3.0805 3.0805 3.0805 3.0805 3.8741 3.8741 3.8741 3.8741 7.4912 7.4912 7.4912 7.4912 9.3931 9.3931 9.3931 9.3931 10.7721 10.7721 k = 0.0000 0.3098 0.3082 ( 4424 PWs) bands (ev): -20.8568 -20.8568 -20.8568 -20.8568 -12.5862 -12.5862 -12.5862 -12.5862 -5.8298 -5.8298 -5.8298 -5.8298 -3.2271 -3.2271 -3.2271 -3.2271 -2.9758 -2.9758 -2.9758 -2.9758 0.5990 0.5990 0.5990 0.5990 1.4164 1.4164 1.4164 1.4164 1.4694 1.4694 1.4694 1.4694 1.8273 1.8273 1.8273 1.8273 1.9379 1.9379 1.9379 1.9379 2.0609 2.0609 2.0609 2.0609 3.0805 3.0805 3.0805 3.0805 3.8741 3.8741 3.8741 3.8741 7.4912 7.4912 7.4912 7.4912 9.3931 9.3931 9.3931 9.3931 10.7721 10.7721 k = 0.0000 0.2987 0.3082 ( 4428 PWs) bands (ev): -20.8574 -20.8574 -20.8562 -20.8562 -12.5902 -12.5902 -12.5822 -12.5822 -5.8325 -5.8325 -5.8272 -5.8272 -3.2307 -3.2307 -3.2234 -3.2234 -2.9917 -2.9917 -2.9596 -2.9596 0.5968 0.5968 0.5999 0.5999 1.4036 1.4036 1.4249 1.4249 1.4632 1.4632 1.4797 1.4797 1.8190 1.8190 1.8359 1.8359 1.9269 1.9269 1.9490 1.9490 2.0609 2.0609 2.0627 2.0627 3.0783 3.0783 3.0818 3.0818 3.8722 3.8722 3.8759 3.8759 7.4605 7.4605 7.5238 7.5238 9.3806 9.3806 9.4082 9.4082 10.7676 10.7676 k = 0.0000 0.2876 0.3082 ( 4432 PWs) bands (ev): -20.8580 -20.8580 -20.8557 -20.8557 -12.5941 -12.5941 -12.5782 -12.5782 -5.8352 -5.8352 -5.8246 -5.8246 -3.2343 -3.2343 -3.2197 -3.2197 -3.0073 -3.0073 -2.9433 -2.9433 0.5934 0.5934 0.5997 0.5997 1.3882 1.3882 1.4290 1.4290 1.4599 1.4599 1.4936 1.4936 1.8112 1.8112 1.8447 1.8447 1.9167 1.9167 1.9596 1.9596 2.0626 2.0626 2.0668 2.0668 3.0754 3.0754 3.0823 3.0823 3.8704 3.8704 3.8776 3.8776 7.4314 7.4314 7.5582 7.5582 9.3705 9.3705 9.4256 9.4256 10.7631 10.7631 k = 0.0000 0.2766 0.3082 ( 4444 PWs) bands (ev): -20.8586 -20.8586 -20.8551 -20.8551 -12.5980 -12.5980 -12.5743 -12.5743 -5.8379 -5.8379 -5.8221 -5.8221 -3.2380 -3.2380 -3.2161 -3.2161 -3.0227 -3.0227 -2.9269 -2.9269 0.5888 0.5888 0.5985 0.5985 1.3717 1.3717 1.4300 1.4300 1.4583 1.4583 1.5094 1.5094 1.8037 1.8037 1.8536 1.8536 1.9079 1.9079 1.9690 1.9690 2.0656 2.0656 2.0736 2.0736 3.0717 3.0717 3.0819 3.0819 3.8684 3.8684 3.8792 3.8792 7.4040 7.4040 7.5945 7.5945 9.3631 9.3631 9.4453 9.4453 10.7588 10.7588 k = 0.0000 0.2655 0.3082 ( 4440 PWs) bands (ev): -20.8591 -20.8591 -20.8545 -20.8545 -12.6019 -12.6019 -12.5703 -12.5703 -5.8407 -5.8407 -5.8197 -5.8197 -3.2416 -3.2416 -3.2125 -3.2125 -3.0377 -3.0377 -2.9103 -2.9103 0.5830 0.5830 0.5961 0.5961 1.3551 1.3551 1.4292 1.4292 1.4573 1.4573 1.5256 1.5256 1.7967 1.7967 1.8622 1.8622 1.9015 1.9015 1.9771 1.9771 2.0697 2.0697 2.0835 2.0835 3.0673 3.0673 3.0808 3.0808 3.8665 3.8665 3.8809 3.8809 7.3783 7.3783 7.6327 7.6327 9.3584 9.3584 9.4671 9.4671 10.7546 10.7546 k = 0.0000 0.2544 0.3082 ( 4438 PWs) bands (ev): -20.8597 -20.8597 -20.8540 -20.8540 -12.6057 -12.6057 -12.5664 -12.5664 -5.8435 -5.8435 -5.8174 -5.8174 -3.2451 -3.2451 -3.2090 -3.2090 -3.0523 -3.0523 -2.8938 -2.8938 0.5761 0.5761 0.5929 0.5929 1.3391 1.3391 1.4273 1.4273 1.4564 1.4564 1.5408 1.5408 1.7899 1.7899 1.8699 1.8699 1.8986 1.8986 1.9839 1.9839 2.0746 2.0746 2.0965 2.0965 3.0621 3.0621 3.0789 3.0789 3.8645 3.8645 3.8824 3.8824 7.3541 7.3541 7.6730 7.6730 9.3563 9.3563 9.4911 9.4911 10.7505 10.7505 k = 0.0000 0.2434 0.3082 ( 4442 PWs) bands (ev): -20.8603 -20.8603 -20.8534 -20.8534 -12.6095 -12.6095 -12.5625 -12.5625 -5.8463 -5.8463 -5.8152 -5.8152 -3.2486 -3.2486 -3.2055 -3.2055 -3.0665 -3.0665 -2.8772 -2.8772 0.5681 0.5681 0.5888 0.5888 1.3237 1.3237 1.4248 1.4248 1.4553 1.4553 1.5544 1.5544 1.7831 1.7831 1.8755 1.8755 1.9007 1.9007 1.9896 1.9896 2.0800 2.0800 2.1122 2.1122 3.0562 3.0562 3.0761 3.0761 3.8624 3.8624 3.8839 3.8839 7.3315 7.3315 7.7152 7.7152 9.3570 9.3570 9.5169 9.5169 10.7465 10.7465 k = 0.0000 0.2323 0.3082 ( 4454 PWs) bands (ev): -20.8608 -20.8608 -20.8529 -20.8529 -12.6131 -12.6131 -12.5588 -12.5588 -5.8491 -5.8491 -5.8130 -5.8130 -3.2520 -3.2520 -3.2021 -3.2021 -3.0802 -3.0802 -2.8608 -2.8608 0.5592 0.5592 0.5840 0.5840 1.3093 1.3093 1.4219 1.4219 1.4537 1.4537 1.5659 1.5659 1.7763 1.7763 1.8795 1.8795 1.9076 1.9076 1.9948 1.9948 2.0859 2.0859 2.1302 2.1302 3.0496 3.0496 3.0726 3.0726 3.8604 3.8604 3.8853 3.8853 7.3103 7.3103 7.7596 7.7596 9.3605 9.3605 9.5446 9.5446 10.7427 10.7427 k = 0.0000 0.2213 0.3082 ( 4450 PWs) bands (ev): -20.8613 -20.8613 -20.8524 -20.8524 -12.6167 -12.6167 -12.5550 -12.5550 -5.8518 -5.8518 -5.8110 -5.8110 -3.2553 -3.2553 -3.1988 -3.1988 -3.0935 -3.0935 -2.8445 -2.8445 0.5495 0.5495 0.5785 0.5785 1.2959 1.2959 1.4188 1.4188 1.4517 1.4517 1.5751 1.5751 1.7695 1.7695 1.8835 1.8835 1.9176 1.9176 2.0000 2.0000 2.0923 2.0923 2.1503 2.1503 3.0423 3.0423 3.0683 3.0683 3.8583 3.8583 3.8867 3.8867 7.2905 7.2905 7.8060 7.8060 9.3668 9.3668 9.5738 9.5738 10.7390 10.7390 k = 0.0000 0.2102 0.3082 ( 4452 PWs) bands (ev): -20.8619 -20.8619 -20.8519 -20.8519 -12.6201 -12.6201 -12.5514 -12.5514 -5.8546 -5.8546 -5.8090 -5.8090 -3.2586 -3.2586 -3.1955 -3.1955 -3.1063 -3.1063 -2.8284 -2.8284 0.5390 0.5390 0.5725 0.5725 1.2835 1.2835 1.4154 1.4154 1.4492 1.4492 1.5820 1.5820 1.7625 1.7625 1.8884 1.8884 1.9293 1.9293 2.0056 2.0056 2.0991 2.0991 2.1720 2.1720 3.0343 3.0343 3.0633 3.0633 3.8562 3.8562 3.8880 3.8880 7.2720 7.2720 7.8546 7.8546 9.3759 9.3759 9.6046 9.6046 10.7354 10.7354 k = 0.0000 0.1991 0.3082 ( 4448 PWs) bands (ev): -20.8624 -20.8624 -20.8514 -20.8514 -12.6235 -12.6235 -12.5479 -12.5479 -5.8573 -5.8573 -5.8071 -5.8071 -3.2617 -3.2617 -3.1924 -3.1924 -3.1185 -3.1185 -2.8126 -2.8126 0.5281 0.5281 0.5660 0.5660 1.2720 1.2720 1.4120 1.4120 1.4461 1.4461 1.5868 1.5868 1.7555 1.7555 1.8939 1.8939 1.9422 1.9422 2.0119 2.0119 2.1063 2.1063 2.1952 2.1952 3.0256 3.0256 3.0576 3.0576 3.8541 3.8541 3.8893 3.8893 7.2548 7.2548 7.9054 7.9054 9.3878 9.3878 9.6366 9.6366 10.7321 10.7321 k = 0.0000 0.1881 0.3082 ( 4450 PWs) bands (ev): -20.8629 -20.8629 -20.8509 -20.8509 -12.6267 -12.6267 -12.5445 -12.5445 -5.8599 -5.8599 -5.8054 -5.8054 -3.2647 -3.2647 -3.1893 -3.1893 -3.1302 -3.1302 -2.7971 -2.7971 0.5168 0.5168 0.5593 0.5593 1.2615 1.2615 1.4085 1.4085 1.4425 1.4425 1.5897 1.5897 1.7488 1.7488 1.8996 1.8996 1.9556 1.9556 2.0190 2.0190 2.1138 2.1138 2.2196 2.2196 3.0162 3.0162 3.0513 3.0513 3.8520 3.8520 3.8905 3.8905 7.2389 7.2389 7.9584 7.9584 9.4025 9.4025 9.6696 9.6696 10.7288 10.7288 k = 0.0000 0.1770 0.3082 ( 4454 PWs) bands (ev): -20.8634 -20.8634 -20.8505 -20.8505 -12.6298 -12.6298 -12.5412 -12.5412 -5.8625 -5.8625 -5.8037 -5.8037 -3.2677 -3.2677 -3.1864 -3.1864 -3.1413 -3.1413 -2.7821 -2.7821 0.5053 0.5053 0.5523 0.5523 1.2518 1.2518 1.4049 1.4049 1.4385 1.4385 1.5911 1.5911 1.7425 1.7425 1.9052 1.9052 1.9693 1.9693 2.0271 2.0271 2.1218 2.1218 2.2453 2.2453 3.0062 3.0062 3.0444 3.0444 3.8500 3.8500 3.8916 3.8916 7.2242 7.2242 8.0136 8.0136 9.4199 9.4199 9.7036 9.7036 10.7256 10.7256 k = 0.0000 0.1659 0.3082 ( 4454 PWs) bands (ev): -20.8638 -20.8638 -20.8500 -20.8500 -12.6327 -12.6327 -12.5380 -12.5380 -5.8650 -5.8650 -5.8022 -5.8022 -3.2705 -3.2705 -3.1836 -3.1836 -3.1518 -3.1518 -2.7675 -2.7675 0.4937 0.4937 0.5453 0.5453 1.2430 1.2430 1.4013 1.4013 1.4342 1.4342 1.5912 1.5912 1.7367 1.7367 1.9105 1.9105 1.9825 1.9825 2.0362 2.0362 2.1302 2.1302 2.2720 2.2720 2.9955 2.9955 3.0371 3.0371 3.8479 3.8479 3.8927 3.8927 7.2106 7.2106 8.0710 8.0710 9.4400 9.4400 9.7381 9.7381 10.7219 10.7219 k = 0.0000 0.1549 0.3082 ( 4448 PWs) bands (ev): -20.8642 -20.8642 -20.8496 -20.8496 -12.6355 -12.6355 -12.5350 -12.5350 -5.8674 -5.8674 -5.8007 -5.8007 -3.2731 -3.2731 -3.1810 -3.1810 -3.1617 -3.1617 -2.7534 -2.7534 0.4822 0.4822 0.5382 0.5382 1.2350 1.2350 1.3978 1.3978 1.4297 1.4297 1.5902 1.5902 1.7315 1.7315 1.9153 1.9153 1.9952 1.9952 2.0460 2.0460 2.1391 2.1391 2.2998 2.2998 2.9840 2.9840 3.0294 3.0294 3.8459 3.8459 3.8937 3.8937 7.1980 7.1980 8.1307 8.1307 9.4627 9.4627 9.7730 9.7730 10.6691 10.6691 k = 0.0000 0.1438 0.3082 ( 4444 PWs) bands (ev): -20.8646 -20.8646 -20.8492 -20.8492 -12.6381 -12.6381 -12.5322 -12.5322 -5.8696 -5.8696 -5.7993 -5.7993 -3.2756 -3.2756 -3.1785 -3.1785 -3.1709 -3.1709 -2.7400 -2.7400 0.4709 0.4709 0.5311 0.5311 1.2277 1.2277 1.3943 1.3943 1.4251 1.4251 1.5884 1.5884 1.7270 1.7270 1.9195 1.9195 2.0071 2.0071 2.0560 2.0560 2.1484 2.1484 2.3285 2.3285 2.9717 2.9717 3.0214 3.0214 3.8440 3.8440 3.8946 3.8946 7.1866 7.1866 8.1926 8.1926 9.4880 9.4880 9.8080 9.8080 10.5704 10.5704 k = 0.0000 0.1328 0.3082 ( 4436 PWs) bands (ev): -20.8650 -20.8650 -20.8489 -20.8489 -12.6406 -12.6406 -12.5295 -12.5295 -5.8718 -5.8718 -5.7981 -5.7981 -3.2780 -3.2780 -3.1797 -3.1797 -3.1760 -3.1760 -2.7272 -2.7272 0.4600 0.4600 0.5243 0.5243 1.2211 1.2211 1.3908 1.3908 1.4205 1.4205 1.5860 1.5860 1.7232 1.7232 1.9232 1.9232 2.0182 2.0182 2.0660 2.0660 2.1581 2.1581 2.3579 2.3579 2.9586 2.9586 3.0134 3.0134 3.8421 3.8421 3.8955 3.8955 7.1762 7.1762 8.2567 8.2567 9.5156 9.5156 9.8428 9.8428 10.4701 10.4701 k = 0.0000 0.1217 0.3082 ( 4432 PWs) bands (ev): -20.8654 -20.8654 -20.8485 -20.8485 -12.6429 -12.6429 -12.5270 -12.5270 -5.8739 -5.8739 -5.7969 -5.7969 -3.2802 -3.2802 -3.1876 -3.1876 -3.1739 -3.1739 -2.7152 -2.7152 0.4496 0.4496 0.5176 0.5176 1.2151 1.2151 1.3874 1.3874 1.4159 1.4159 1.5831 1.5831 1.7200 1.7200 1.9264 1.9264 2.0284 2.0284 2.0755 2.0755 2.1680 2.1680 2.3880 2.3880 2.9446 2.9446 3.0053 3.0053 3.8403 3.8403 3.8963 3.8963 7.1667 7.1667 8.3230 8.3230 9.5454 9.5454 9.8771 9.8771 10.3691 10.3691 k = 0.0000 0.1106 0.3082 ( 4434 PWs) bands (ev): -20.8657 -20.8657 -20.8482 -20.8482 -12.6450 -12.6450 -12.5247 -12.5247 -5.8758 -5.8758 -5.7959 -5.7959 -3.2822 -3.2822 -3.1950 -3.1950 -3.1718 -3.1718 -2.7040 -2.7040 0.4397 0.4397 0.5113 0.5113 1.2098 1.2098 1.3842 1.3842 1.4116 1.4116 1.5799 1.5799 1.7174 1.7174 1.9291 1.9291 2.0379 2.0379 2.0842 2.0842 2.1778 2.1778 2.4185 2.4185 2.9297 2.9297 2.9974 2.9974 3.8386 3.8386 3.8971 3.8971 7.1582 7.1582 8.3914 8.3914 9.5771 9.5771 9.9104 9.9104 10.2679 10.2679 k = 0.0000 0.0996 0.3082 ( 4430 PWs) bands (ev): -20.8660 -20.8660 -20.8479 -20.8479 -12.6470 -12.6470 -12.5226 -12.5226 -5.8775 -5.8775 -5.7950 -5.7950 -3.2841 -3.2841 -3.2016 -3.2016 -3.1700 -3.1700 -2.6937 -2.6937 0.4305 0.4305 0.5053 0.5053 1.2050 1.2050 1.3811 1.3811 1.4074 1.4074 1.5766 1.5766 1.7154 1.7154 1.9315 1.9315 2.0466 2.0466 2.0922 2.0922 2.1875 2.1875 2.4494 2.4494 2.9138 2.9138 2.9898 2.9898 3.8369 3.8369 3.8977 3.8977 7.1506 7.1506 8.4618 8.4618 9.6105 9.6105 9.9424 9.9424 10.1669 10.1669 k = 0.0000 0.0885 0.3082 ( 4426 PWs) bands (ev): -20.8663 -20.8663 -20.8477 -20.8477 -12.6487 -12.6487 -12.5206 -12.5206 -5.8791 -5.8791 -5.7941 -5.7941 -3.2857 -3.2857 -3.2076 -3.2076 -3.1683 -3.1683 -2.6842 -2.6842 0.4220 0.4220 0.4998 0.4998 1.2008 1.2008 1.3782 1.3782 1.4037 1.4037 1.5733 1.5733 1.7139 1.7139 1.9335 1.9335 2.0545 2.0545 2.0994 2.0994 2.1967 2.1967 2.4803 2.4803 2.8968 2.8968 2.9825 2.9825 3.8355 3.8355 3.8984 3.8984 7.1438 7.1438 8.5341 8.5341 9.6450 9.6450 9.9728 9.9728 10.0664 10.0664 k = 0.0000 0.0774 0.3082 ( 4418 PWs) bands (ev): -20.8665 -20.8665 -20.8474 -20.8474 -12.6503 -12.6503 -12.5189 -12.5189 -5.8806 -5.8806 -5.7934 -5.7934 -3.2872 -3.2872 -3.2129 -3.2129 -3.1668 -3.1668 -2.6757 -2.6757 0.4144 0.4144 0.4948 0.4948 1.1971 1.1971 1.3756 1.3756 1.4002 1.4002 1.5702 1.5702 1.7128 1.7128 1.9352 1.9352 2.0616 2.0616 2.1057 2.1057 2.2053 2.2053 2.5111 2.5111 2.8789 2.8789 2.9759 2.9759 3.8341 3.8341 3.8989 3.8989 7.1380 7.1380 8.6080 8.6080 9.6801 9.6801 9.9671 9.9671 10.0010 10.0010 k = 0.0000 0.0664 0.3082 ( 4418 PWs) bands (ev): -20.8668 -20.8668 -20.8473 -20.8473 -12.6516 -12.6516 -12.5174 -12.5174 -5.8819 -5.8819 -5.7928 -5.7928 -3.2885 -3.2885 -3.2175 -3.2175 -3.1655 -3.1655 -2.6683 -2.6683 0.4077 0.4077 0.4904 0.4904 1.1939 1.1939 1.3732 1.3732 1.3971 1.3971 1.5672 1.5672 1.7119 1.7119 1.9366 1.9366 2.0678 2.0678 2.1112 2.1112 2.2130 2.2130 2.5416 2.5416 2.8599 2.8599 2.9698 2.9698 3.8329 3.8329 3.8994 3.8994 7.1329 7.1329 8.6833 8.6833 9.7145 9.7145 9.8700 9.8700 10.0267 10.0267 k = 0.0000 0.0553 0.3082 ( 4404 PWs) bands (ev): -20.8669 -20.8669 -20.8471 -20.8471 -12.6527 -12.6527 -12.5162 -12.5162 -5.8829 -5.8829 -5.7922 -5.7922 -3.2896 -3.2896 -3.2214 -3.2214 -3.1644 -3.1644 -2.6619 -2.6619 0.4019 0.4019 0.4865 0.4865 1.1913 1.1913 1.3711 1.3711 1.3945 1.3945 1.5646 1.5646 1.7114 1.7114 1.9378 1.9378 2.0731 2.0731 2.1160 2.1160 2.2198 2.2198 2.5717 2.5717 2.8399 2.8399 2.9646 2.9646 3.8319 3.8319 3.8998 3.8998 7.1287 7.1287 8.7593 8.7593 9.7406 9.7406 9.7824 9.7824 10.0493 10.0493 k = 0.0000 0.0443 0.3082 ( 4388 PWs) bands (ev): -20.8671 -20.8671 -20.8469 -20.8469 -12.6537 -12.6537 -12.5151 -12.5151 -5.8838 -5.8838 -5.7918 -5.7918 -3.2905 -3.2905 -3.2246 -3.2246 -3.1635 -3.1635 -2.6567 -2.6567 0.3972 0.3972 0.4833 0.4833 1.1891 1.1891 1.3694 1.3694 1.3923 1.3923 1.5624 1.5624 1.7110 1.7110 1.9388 1.9388 2.0774 2.0774 2.1199 2.1199 2.2255 2.2255 2.6010 2.6010 2.8191 2.8191 2.9602 2.9602 3.8310 3.8310 3.9001 3.9001 7.1253 7.1253 8.8349 8.8349 9.6771 9.6771 9.7858 9.7858 10.0686 10.0686 k = 0.0000 0.0332 0.3082 ( 4392 PWs) bands (ev): -20.8672 -20.8672 -20.8468 -20.8468 -12.6544 -12.6544 -12.5143 -12.5143 -5.8845 -5.8845 -5.7915 -5.7915 -3.2912 -3.2912 -3.2271 -3.2271 -3.1627 -3.1627 -2.6526 -2.6526 0.3934 0.3934 0.4808 0.4808 1.1874 1.1874 1.3681 1.3681 1.3905 1.3905 1.5606 1.5606 1.7107 1.7107 1.9395 1.9395 2.0807 2.0807 2.1230 2.1230 2.2300 2.2300 2.6291 2.6291 2.7977 2.7977 2.9566 2.9566 3.8304 3.8304 3.9004 3.9004 7.1226 7.1226 8.9082 8.9082 9.5924 9.5924 9.8122 9.8122 10.0840 10.0840 k = 0.0000 0.0221 0.3082 ( 4398 PWs) bands (ev): -20.8673 -20.8673 -20.8468 -20.8468 -12.6550 -12.6550 -12.5137 -12.5137 -5.8850 -5.8850 -5.7912 -5.7912 -3.2918 -3.2918 -3.2289 -3.2289 -3.1622 -3.1622 -2.6496 -2.6496 0.3907 0.3907 0.4790 0.4790 1.1862 1.1862 1.3670 1.3670 1.3893 1.3893 1.5593 1.5593 1.7105 1.7105 1.9400 1.9400 2.0831 2.0831 2.1253 2.1253 2.2332 2.2332 2.6554 2.6554 2.7762 2.7762 2.9540 2.9540 3.8298 3.8298 3.9006 3.9006 7.1207 7.1207 8.9749 8.9749 9.5169 9.5169 9.8338 9.8338 10.0952 10.0952 k = 0.0000 0.0111 0.3082 ( 4398 PWs) bands (ev): -20.8673 -20.8673 -20.8467 -20.8467 -12.6553 -12.6553 -12.5134 -12.5134 -5.8853 -5.8853 -5.7911 -5.7911 -3.2921 -3.2921 -3.2300 -3.2300 -3.1619 -3.1619 -2.6478 -2.6478 0.3891 0.3891 0.4779 0.4779 1.1855 1.1855 1.3664 1.3664 1.3885 1.3885 1.5584 1.5584 1.7104 1.7104 1.9403 1.9403 2.0845 2.0845 2.1267 2.1267 2.2351 2.2351 2.6778 2.6778 2.7567 2.7567 2.9525 2.9525 3.8295 3.8295 3.9007 3.9007 7.1196 7.1196 9.0261 9.0261 9.4602 9.4602 9.8478 9.8478 10.1021 10.1021 k = 0.0000 0.0000 0.3082 ( 4392 PWs) bands (ev): -20.8674 -20.8674 -20.8467 -20.8467 -12.6554 -12.6554 -12.5132 -12.5132 -5.8854 -5.8854 -5.7910 -5.7910 -3.2922 -3.2922 -3.2303 -3.2303 -3.1618 -3.1618 -2.6472 -2.6472 0.3885 0.3885 0.4775 0.4775 1.1853 1.1853 1.3662 1.3662 1.3883 1.3883 1.5582 1.5582 1.7104 1.7104 1.9404 1.9404 2.0850 2.0850 2.1272 2.1272 2.2358 2.2358 2.6884 2.6884 2.7470 2.7470 2.9520 2.9520 3.8295 3.8295 3.9007 3.9007 7.1192 7.1192 9.0465 9.0465 9.4380 9.4380 9.8527 9.8527 10.1044 10.1044 k = 0.0000 0.3098-0.0000 ( 4396 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5700 -12.5700 -12.5700 -12.5700 -5.9302 -5.9302 -5.9302 -5.9302 -3.1825 -3.1825 -3.1825 -3.1825 -2.9721 -2.9721 -2.9721 -2.9721 0.8300 0.8300 0.8300 0.8300 1.1006 1.1006 1.1006 1.1006 1.4055 1.4055 1.4055 1.4055 1.7292 1.7292 1.7292 1.7292 1.9962 1.9962 1.9962 1.9962 2.1288 2.1288 2.1288 2.1288 3.2890 3.2890 3.2890 3.2890 4.6333 4.6333 4.6333 4.6333 6.3326 6.3326 6.3326 6.3326 9.9719 9.9719 9.9719 9.9719 10.0031 10.0031 k = 0.0000 0.3098 0.0110 ( 4396 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5700 -12.5700 -12.5700 -12.5700 -5.9299 -5.9299 -5.9299 -5.9299 -3.1826 -3.1826 -3.1826 -3.1826 -2.9721 -2.9721 -2.9721 -2.9721 0.8294 0.8294 0.8294 0.8294 1.1016 1.1016 1.1016 1.1016 1.4056 1.4056 1.4056 1.4056 1.7293 1.7293 1.7293 1.7293 1.9956 1.9956 1.9956 1.9956 2.1292 2.1292 2.1292 2.1292 3.2881 3.2881 3.2881 3.2881 4.6310 4.6310 4.6310 4.6310 6.3358 6.3358 6.3358 6.3358 9.9717 9.9717 9.9717 9.9717 10.0052 10.0052 k = 0.0000 0.3098 0.0220 ( 4402 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5702 -12.5702 -12.5702 -12.5702 -5.9290 -5.9290 -5.9290 -5.9290 -3.1830 -3.1830 -3.1830 -3.1830 -2.9722 -2.9722 -2.9722 -2.9722 0.8275 0.8275 0.8275 0.8275 1.1043 1.1043 1.1043 1.1043 1.4059 1.4059 1.4059 1.4059 1.7297 1.7297 1.7297 1.7297 1.9936 1.9936 1.9936 1.9936 2.1301 2.1301 2.1301 2.1301 3.2852 3.2852 3.2852 3.2852 4.6241 4.6241 4.6241 4.6241 6.3453 6.3453 6.3453 6.3453 9.9705 9.9705 9.9705 9.9705 10.0117 10.0117 k = 0.0000 0.3098 0.0330 ( 4408 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5705 -12.5705 -12.5705 -12.5705 -5.9275 -5.9275 -5.9275 -5.9275 -3.1837 -3.1837 -3.1837 -3.1837 -2.9722 -2.9722 -2.9722 -2.9722 0.8244 0.8244 0.8244 0.8244 1.1088 1.1088 1.1088 1.1088 1.4065 1.4065 1.4065 1.4065 1.7304 1.7304 1.7304 1.7304 1.9906 1.9906 1.9906 1.9906 2.1315 2.1315 2.1315 2.1315 3.2807 3.2807 3.2807 3.2807 4.6127 4.6127 4.6127 4.6127 6.3611 6.3611 6.3611 6.3611 9.9681 9.9681 9.9681 9.9681 10.0230 10.0230 k = 0.0000 0.3098 0.0440 ( 4408 PWs) bands (ev): -20.8577 -20.8577 -20.8577 -20.8577 -12.5708 -12.5708 -12.5708 -12.5708 -5.9253 -5.9253 -5.9253 -5.9253 -3.1847 -3.1847 -3.1847 -3.1847 -2.9723 -2.9723 -2.9723 -2.9723 0.8200 0.8200 0.8200 0.8200 1.1152 1.1152 1.1152 1.1152 1.4073 1.4073 1.4073 1.4073 1.7314 1.7314 1.7314 1.7314 1.9866 1.9866 1.9866 1.9866 2.1331 2.1331 2.1331 2.1331 3.2744 3.2744 3.2744 3.2744 4.5969 4.5969 4.5969 4.5969 6.3829 6.3829 6.3829 6.3829 9.9639 9.9639 9.9639 9.9639 10.0392 10.0392 k = 0.0000 0.3098 0.0550 ( 4410 PWs) bands (ev): -20.8576 -20.8576 -20.8576 -20.8576 -12.5712 -12.5712 -12.5712 -12.5712 -5.9227 -5.9227 -5.9227 -5.9227 -3.1860 -3.1860 -3.1860 -3.1860 -2.9723 -2.9723 -2.9723 -2.9723 0.8144 0.8144 0.8144 0.8144 1.1233 1.1233 1.1233 1.1233 1.4083 1.4083 1.4083 1.4083 1.7327 1.7327 1.7327 1.7327 1.9819 1.9819 1.9819 1.9819 2.1349 2.1349 2.1349 2.1349 3.2666 3.2666 3.2666 3.2666 4.5770 4.5770 4.5770 4.5770 6.4106 6.4106 6.4106 6.4106 9.9579 9.9579 9.9579 9.9579 10.0599 10.0599 k = 0.0000 0.3098 0.0660 ( 4418 PWs) bands (ev): -20.8576 -20.8576 -20.8576 -20.8576 -12.5718 -12.5718 -12.5718 -12.5718 -5.9195 -5.9195 -5.9195 -5.9195 -3.1874 -3.1874 -3.1874 -3.1874 -2.9724 -2.9724 -2.9724 -2.9724 0.8076 0.8076 0.8076 0.8076 1.1332 1.1332 1.1332 1.1332 1.4096 1.4096 1.4096 1.4096 1.7342 1.7342 1.7342 1.7342 1.9766 1.9766 1.9766 1.9766 2.1366 2.1366 2.1366 2.1366 3.2576 3.2576 3.2576 3.2576 4.5532 4.5532 4.5532 4.5532 6.4437 6.4437 6.4437 6.4437 9.9500 9.9500 9.9500 9.9500 10.0849 10.0849 k = 0.0000 0.3098 0.0770 ( 4418 PWs) bands (ev): -20.8576 -20.8576 -20.8576 -20.8576 -12.5724 -12.5724 -12.5724 -12.5724 -5.9158 -5.9158 -5.9158 -5.9158 -3.1891 -3.1891 -3.1891 -3.1891 -2.9725 -2.9725 -2.9725 -2.9725 0.7996 0.7996 0.7996 0.7996 1.1447 1.1447 1.1447 1.1447 1.4112 1.4112 1.4112 1.4112 1.7361 1.7361 1.7361 1.7361 1.9711 1.9711 1.9711 1.9711 2.1379 2.1379 2.1379 2.1379 3.2474 3.2474 3.2474 3.2474 4.5258 4.5258 4.5258 4.5258 6.4820 6.4820 6.4820 6.4820 9.9399 9.9399 9.9399 9.9399 10.1137 10.1137 k = 0.0000 0.3098 0.0880 ( 4414 PWs) bands (ev): -20.8575 -20.8575 -20.8575 -20.8575 -12.5731 -12.5731 -12.5731 -12.5731 -5.9117 -5.9117 -5.9117 -5.9117 -3.1910 -3.1910 -3.1910 -3.1910 -2.9727 -2.9727 -2.9727 -2.9727 0.7906 0.7906 0.7906 0.7906 1.1577 1.1577 1.1577 1.1577 1.4130 1.4130 1.4130 1.4130 1.7383 1.7383 1.7383 1.7383 1.9655 1.9655 1.9655 1.9655 2.1389 2.1389 2.1389 2.1389 3.2364 3.2364 3.2364 3.2364 4.4951 4.4951 4.4951 4.4951 6.5250 6.5250 6.5250 6.5250 9.9276 9.9276 9.9276 9.9276 10.1460 10.1460 k = 0.0000 0.3098 0.0991 ( 4418 PWs) bands (ev): -20.8575 -20.8575 -20.8575 -20.8575 -12.5738 -12.5738 -12.5738 -12.5738 -5.9071 -5.9071 -5.9071 -5.9071 -3.1931 -3.1931 -3.1931 -3.1931 -2.9728 -2.9728 -2.9728 -2.9728 0.7805 0.7805 0.7805 0.7805 1.1721 1.1721 1.1721 1.1721 1.4151 1.4151 1.4151 1.4151 1.7409 1.7409 1.7409 1.7409 1.9598 1.9598 1.9598 1.9598 2.1392 2.1392 2.1392 2.1392 3.2247 3.2247 3.2247 3.2247 4.4615 4.4615 4.4615 4.4615 6.5724 6.5724 6.5724 6.5724 9.9128 9.9128 9.9128 9.9128 10.1812 10.1812 k = 0.0000 0.3098 0.1101 ( 4426 PWs) bands (ev): -20.8575 -20.8575 -20.8575 -20.8575 -12.5746 -12.5746 -12.5746 -12.5746 -5.9023 -5.9023 -5.9023 -5.9023 -3.1953 -3.1953 -3.1953 -3.1953 -2.9730 -2.9730 -2.9730 -2.9730 0.7695 0.7695 0.7695 0.7695 1.1877 1.1877 1.1877 1.1877 1.4175 1.4175 1.4175 1.4175 1.7438 1.7438 1.7438 1.7438 1.9544 1.9544 1.9544 1.9544 2.1388 2.1388 2.1388 2.1388 3.2126 3.2126 3.2126 3.2126 4.4254 4.4254 4.4254 4.4254 6.6236 6.6236 6.6236 6.6236 9.8954 9.8954 9.8954 9.8954 10.2191 10.2191 k = 0.0000 0.3098 0.1211 ( 4430 PWs) bands (ev): -20.8574 -20.8574 -20.8574 -20.8574 -12.5754 -12.5754 -12.5754 -12.5754 -5.8971 -5.8971 -5.8971 -5.8971 -3.1977 -3.1977 -3.1977 -3.1977 -2.9731 -2.9731 -2.9731 -2.9731 0.7578 0.7578 0.7578 0.7578 1.2044 1.2044 1.2044 1.2044 1.4201 1.4201 1.4201 1.4201 1.7472 1.7472 1.7472 1.7472 1.9492 1.9492 1.9492 1.9492 2.1377 2.1377 2.1377 2.1377 3.2004 3.2004 3.2004 3.2004 4.3871 4.3871 4.3871 4.3871 6.6782 6.6782 6.6782 6.6782 9.8752 9.8752 9.8752 9.8752 10.2589 10.2589 k = 0.0000 0.3098 0.1321 ( 4434 PWs) bands (ev): -20.8574 -20.8574 -20.8574 -20.8574 -12.5763 -12.5763 -12.5763 -12.5763 -5.8917 -5.8917 -5.8917 -5.8917 -3.2001 -3.2001 -3.2001 -3.2001 -2.9733 -2.9733 -2.9733 -2.9733 0.7454 0.7454 0.7454 0.7454 1.2219 1.2219 1.2219 1.2219 1.4230 1.4230 1.4230 1.4230 1.7509 1.7509 1.7509 1.7509 1.9444 1.9444 1.9444 1.9444 2.1358 2.1358 2.1358 2.1358 3.1881 3.1881 3.1881 3.1881 4.3473 4.3473 4.3473 4.3473 6.7357 6.7357 6.7357 6.7357 9.8520 9.8520 9.8520 9.8520 10.3004 10.3004 k = 0.0000 0.3098 0.1431 ( 4432 PWs) bands (ev): -20.8573 -20.8573 -20.8573 -20.8573 -12.5772 -12.5772 -12.5772 -12.5772 -5.8862 -5.8862 -5.8862 -5.8862 -3.2026 -3.2026 -3.2026 -3.2026 -2.9735 -2.9735 -2.9735 -2.9735 0.7326 0.7326 0.7326 0.7326 1.2400 1.2400 1.2400 1.2400 1.4262 1.4262 1.4262 1.4262 1.7551 1.7551 1.7551 1.7551 1.9401 1.9401 1.9401 1.9401 2.1332 2.1332 2.1332 2.1332 3.1761 3.1761 3.1761 3.1761 4.3062 4.3062 4.3062 4.3062 6.7955 6.7955 6.7955 6.7955 9.8260 9.8260 9.8260 9.8260 10.3429 10.3429 k = 0.0000 0.3098 0.1541 ( 4432 PWs) bands (ev): -20.8573 -20.8573 -20.8573 -20.8573 -12.5781 -12.5781 -12.5781 -12.5781 -5.8806 -5.8806 -5.8806 -5.8806 -3.2051 -3.2051 -3.2051 -3.2051 -2.9737 -2.9737 -2.9737 -2.9737 0.7195 0.7195 0.7195 0.7195 1.2584 1.2584 1.2584 1.2584 1.4296 1.4296 1.4296 1.4296 1.7598 1.7598 1.7598 1.7598 1.9363 1.9363 1.9363 1.9363 2.1298 2.1298 2.1298 2.1298 3.1645 3.1645 3.1645 3.1645 4.2644 4.2644 4.2644 4.2644 6.8571 6.8571 6.8571 6.8571 9.7972 9.7972 9.7972 9.7972 10.3859 10.3859 k = 0.0000 0.3098 0.1651 ( 4440 PWs) bands (ev): -20.8572 -20.8572 -20.8572 -20.8572 -12.5790 -12.5790 -12.5790 -12.5790 -5.8750 -5.8750 -5.8750 -5.8750 -3.2076 -3.2076 -3.2076 -3.2076 -2.9739 -2.9739 -2.9739 -2.9739 0.7063 0.7063 0.7063 0.7063 1.2769 1.2769 1.2769 1.2769 1.4331 1.4331 1.4331 1.4331 1.7648 1.7648 1.7648 1.7648 1.9330 1.9330 1.9330 1.9330 2.1256 2.1256 2.1256 2.1256 3.1533 3.1533 3.1533 3.1533 4.2224 4.2224 4.2224 4.2224 6.9198 6.9198 6.9198 6.9198 9.7656 9.7656 9.7656 9.7656 10.4289 10.4289 k = 0.0000 0.3098 0.1761 ( 4444 PWs) bands (ev): -20.8572 -20.8572 -20.8572 -20.8572 -12.5799 -12.5799 -12.5799 -12.5799 -5.8694 -5.8694 -5.8694 -5.8694 -3.2100 -3.2100 -3.2100 -3.2100 -2.9741 -2.9741 -2.9741 -2.9741 0.6931 0.6931 0.6931 0.6931 1.2951 1.2951 1.2951 1.2951 1.4368 1.4368 1.4368 1.4368 1.7703 1.7703 1.7703 1.7703 1.9304 1.9304 1.9304 1.9304 2.1208 2.1208 2.1208 2.1208 3.1427 3.1427 3.1427 3.1427 4.1806 4.1806 4.1806 4.1806 6.9831 6.9831 6.9831 6.9831 9.7317 9.7317 9.7317 9.7317 10.4714 10.4714 k = 0.0000 0.3098 0.1871 ( 4444 PWs) bands (ev): -20.8571 -20.8571 -20.8571 -20.8571 -12.5808 -12.5808 -12.5808 -12.5808 -5.8640 -5.8640 -5.8640 -5.8640 -3.2124 -3.2124 -3.2124 -3.2124 -2.9743 -2.9743 -2.9743 -2.9743 0.6803 0.6803 0.6803 0.6803 1.3128 1.3128 1.3128 1.3128 1.4405 1.4405 1.4405 1.4405 1.7762 1.7762 1.7762 1.7762 1.9284 1.9284 1.9284 1.9284 2.1154 2.1154 2.1154 2.1154 3.1329 3.1329 3.1329 3.1329 4.1395 4.1395 4.1395 4.1395 7.0462 7.0462 7.0462 7.0462 9.6958 9.6958 9.6958 9.6958 10.5129 10.5129 k = 0.0000 0.3098 0.1981 ( 4436 PWs) bands (ev): -20.8571 -20.8571 -20.8571 -20.8571 -12.5816 -12.5816 -12.5816 -12.5816 -5.8587 -5.8587 -5.8587 -5.8587 -3.2147 -3.2147 -3.2147 -3.2147 -2.9745 -2.9745 -2.9745 -2.9745 0.6678 0.6678 0.6678 0.6678 1.3297 1.3297 1.3297 1.3297 1.4444 1.4444 1.4444 1.4444 1.7824 1.7824 1.7824 1.7824 1.9271 1.9271 1.9271 1.9271 2.1096 2.1096 2.1096 2.1096 3.1238 3.1238 3.1238 3.1238 4.0997 4.0997 4.0997 4.0997 7.1085 7.1085 7.1085 7.1085 9.6586 9.6586 9.6586 9.6586 10.5528 10.5528 k = 0.0000 0.3098 0.2091 ( 4440 PWs) bands (ev): -20.8570 -20.8570 -20.8570 -20.8570 -12.5824 -12.5824 -12.5824 -12.5824 -5.8537 -5.8537 -5.8537 -5.8537 -3.2168 -3.2168 -3.2168 -3.2168 -2.9747 -2.9747 -2.9747 -2.9747 0.6560 0.6560 0.6560 0.6560 1.3455 1.3455 1.3455 1.3455 1.4482 1.4482 1.4482 1.4482 1.7889 1.7889 1.7889 1.7889 1.9265 1.9265 1.9265 1.9265 2.1033 2.1033 2.1033 2.1033 3.1156 3.1156 3.1156 3.1156 4.0616 4.0616 4.0616 4.0616 7.1692 7.1692 7.1692 7.1692 9.6205 9.6205 9.6205 9.6205 10.5906 10.5906 k = 0.0000 0.3098 0.2201 ( 4450 PWs) bands (ev): -20.8570 -20.8570 -20.8570 -20.8570 -12.5832 -12.5832 -12.5832 -12.5832 -5.8491 -5.8491 -5.8491 -5.8491 -3.2188 -3.2188 -3.2188 -3.2188 -2.9749 -2.9749 -2.9749 -2.9749 0.6449 0.6449 0.6449 0.6449 1.3600 1.3600 1.3600 1.3600 1.4518 1.4518 1.4518 1.4518 1.7953 1.7953 1.7953 1.7953 1.9265 1.9265 1.9265 1.9265 2.0968 2.0968 2.0968 2.0968 3.1082 3.1082 3.1082 3.1082 4.0258 4.0258 4.0258 4.0258 7.2275 7.2275 7.2275 7.2275 9.5824 9.5824 9.5824 9.5824 10.6259 10.6259 k = 0.0000 0.3098 0.2311 ( 4450 PWs) bands (ev): -20.8570 -20.8570 -20.8570 -20.8570 -12.5838 -12.5838 -12.5838 -12.5838 -5.8448 -5.8448 -5.8448 -5.8448 -3.2207 -3.2207 -3.2207 -3.2207 -2.9751 -2.9751 -2.9751 -2.9751 0.6347 0.6347 0.6347 0.6347 1.3731 1.3731 1.3731 1.3731 1.4554 1.4554 1.4554 1.4554 1.8017 1.8017 1.8017 1.8017 1.9272 1.9272 1.9272 1.9272 2.0903 2.0903 2.0903 2.0903 3.1016 3.1016 3.1016 3.1016 3.9927 3.9927 3.9927 3.9927 7.2824 7.2824 7.2824 7.2824 9.5452 9.5452 9.5452 9.5452 10.6583 10.6583 k = 0.0000 0.3098 0.2421 ( 4450 PWs) bands (ev): -20.8569 -20.8569 -20.8569 -20.8569 -12.5844 -12.5844 -12.5844 -12.5844 -5.8410 -5.8410 -5.8410 -5.8410 -3.2223 -3.2223 -3.2223 -3.2223 -2.9753 -2.9753 -2.9753 -2.9753 0.6256 0.6256 0.6256 0.6256 1.3846 1.3846 1.3846 1.3846 1.4587 1.4587 1.4587 1.4587 1.8078 1.8078 1.8078 1.8078 1.9285 1.9285 1.9285 1.9285 2.0839 2.0839 2.0839 2.0839 3.0960 3.0960 3.0960 3.0960 3.9629 3.9629 3.9629 3.9629 7.3330 7.3330 7.3330 7.3330 9.5098 9.5098 9.5098 9.5098 10.6872 10.6872 k = 0.0000 0.3098 0.2531 ( 4454 PWs) bands (ev): -20.8569 -20.8569 -20.8569 -20.8569 -12.5850 -12.5850 -12.5850 -12.5850 -5.8377 -5.8377 -5.8377 -5.8377 -3.2237 -3.2237 -3.2237 -3.2237 -2.9754 -2.9754 -2.9754 -2.9754 0.6177 0.6177 0.6177 0.6177 1.3943 1.3943 1.3943 1.3943 1.4617 1.4617 1.4617 1.4617 1.8133 1.8133 1.8133 1.8133 1.9303 1.9303 1.9303 1.9303 2.0777 2.0777 2.0777 2.0777 3.0912 3.0912 3.0912 3.0912 3.9367 3.9367 3.9367 3.9367 7.3783 7.3783 7.3783 7.3783 9.4773 9.4773 9.4773 9.4773 10.7124 10.7124 k = 0.0000 0.3098 0.2641 ( 4438 PWs) bands (ev): -20.8569 -20.8569 -20.8569 -20.8569 -12.5854 -12.5854 -12.5854 -12.5854 -5.8349 -5.8349 -5.8349 -5.8349 -3.2249 -3.2249 -3.2249 -3.2249 -2.9756 -2.9756 -2.9756 -2.9756 0.6111 0.6111 0.6111 0.6111 1.4023 1.4023 1.4023 1.4023 1.4644 1.4644 1.4644 1.4644 1.8181 1.8181 1.8181 1.8181 1.9324 1.9324 1.9324 1.9324 2.0723 2.0723 2.0723 2.0723 3.0873 3.0873 3.0873 3.0873 3.9147 3.9147 3.9147 3.9147 7.4172 7.4172 7.4172 7.4172 9.4488 9.4488 9.4488 9.4488 10.7335 10.7335 k = 0.0000 0.3098 0.2751 ( 4428 PWs) bands (ev): -20.8568 -20.8568 -20.8568 -20.8568 -12.5857 -12.5857 -12.5857 -12.5857 -5.8327 -5.8327 -5.8327 -5.8327 -3.2258 -3.2258 -3.2258 -3.2258 -2.9756 -2.9756 -2.9756 -2.9756 0.6058 0.6058 0.6058 0.6058 1.4085 1.4085 1.4085 1.4085 1.4665 1.4665 1.4665 1.4665 1.8221 1.8221 1.8221 1.8221 1.9344 1.9344 1.9344 1.9344 2.0676 2.0676 2.0676 2.0676 3.0843 3.0843 3.0843 3.0843 3.8972 3.8972 3.8972 3.8972 7.4488 7.4488 7.4488 7.4488 9.4253 9.4253 9.4253 9.4253 10.7502 10.7502 k = 0.0000 0.3098 0.2862 ( 4428 PWs) bands (ev): -20.8568 -20.8568 -20.8568 -20.8568 -12.5860 -12.5860 -12.5860 -12.5860 -5.8311 -5.8311 -5.8311 -5.8311 -3.2265 -3.2265 -3.2265 -3.2265 -2.9757 -2.9757 -2.9757 -2.9757 0.6020 0.6020 0.6020 0.6020 1.4129 1.4129 1.4129 1.4129 1.4681 1.4681 1.4681 1.4681 1.8249 1.8249 1.8249 1.8249 1.9362 1.9362 1.9362 1.9362 2.0639 2.0639 2.0639 2.0639 3.0822 3.0822 3.0822 3.0822 3.8844 3.8844 3.8844 3.8844 7.4721 7.4721 7.4721 7.4721 9.4077 9.4077 9.4077 9.4077 10.7623 10.7623 k = 0.0000 0.3098 0.2972 ( 4424 PWs) bands (ev): -20.8568 -20.8568 -20.8568 -20.8568 -12.5861 -12.5861 -12.5861 -12.5861 -5.8301 -5.8301 -5.8301 -5.8301 -3.2269 -3.2269 -3.2269 -3.2269 -2.9758 -2.9758 -2.9758 -2.9758 0.5997 0.5997 0.5997 0.5997 1.4156 1.4156 1.4156 1.4156 1.4691 1.4691 1.4691 1.4691 1.8267 1.8267 1.8267 1.8267 1.9375 1.9375 1.9375 1.9375 2.0616 2.0616 2.0616 2.0616 3.0809 3.0809 3.0809 3.0809 3.8767 3.8767 3.8767 3.8767 7.4864 7.4864 7.4864 7.4864 9.3968 9.3968 9.3968 9.3968 10.7696 10.7696 k = 0.0000 0.3098 0.3082 ( 4424 PWs) bands (ev): -20.8568 -20.8568 -20.8568 -20.8568 -12.5862 -12.5862 -12.5862 -12.5862 -5.8298 -5.8298 -5.8298 -5.8298 -3.2271 -3.2271 -3.2271 -3.2271 -2.9758 -2.9758 -2.9758 -2.9758 0.5990 0.5990 0.5990 0.5990 1.4164 1.4164 1.4164 1.4164 1.4694 1.4694 1.4694 1.4694 1.8273 1.8273 1.8273 1.8273 1.9379 1.9379 1.9379 1.9379 2.0609 2.0609 2.0609 2.0609 3.0805 3.0805 3.0805 3.0805 3.8741 3.8741 3.8741 3.8741 7.4912 7.4912 7.4912 7.4912 9.3931 9.3931 9.3931 9.3931 10.7721 10.7721 k = 0.5000-0.0000 0.3082 ( 4412 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5167 -12.5167 -12.5167 -12.5167 -5.6399 -5.6399 -5.6399 -5.6399 -3.5943 -3.5943 -3.5943 -3.5943 -2.8525 -2.8525 -2.8525 -2.8525 0.6779 0.6779 0.6779 0.6779 1.0448 1.0448 1.0448 1.0448 1.2290 1.2290 1.2290 1.2290 1.7645 1.7645 1.7645 1.7645 2.0073 2.0073 2.0073 2.0073 2.6205 2.6205 2.6205 2.6205 3.1615 3.1615 3.1615 3.1615 3.5136 3.5136 3.5136 3.5136 8.0937 8.0937 8.0937 8.0937 9.5265 9.5265 9.5265 9.5265 9.7982 9.7982 k = 0.5000-0.0000 0.2972 ( 4414 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5167 -12.5167 -12.5167 -12.5167 -5.6399 -5.6399 -5.6399 -5.6399 -3.5945 -3.5945 -3.5945 -3.5945 -2.8526 -2.8526 -2.8526 -2.8526 0.6778 0.6778 0.6778 0.6778 1.0454 1.0454 1.0454 1.0454 1.2298 1.2298 1.2298 1.2298 1.7643 1.7643 1.7643 1.7643 2.0076 2.0076 2.0076 2.0076 2.6204 2.6204 2.6204 2.6204 3.1623 3.1623 3.1623 3.1623 3.5132 3.5132 3.5132 3.5132 8.0823 8.0823 8.0823 8.0823 9.5376 9.5376 9.5376 9.5376 9.7962 9.7962 k = 0.5000-0.0000 0.2862 ( 4402 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5167 -12.5167 -12.5167 -12.5167 -5.6402 -5.6402 -5.6402 -5.6402 -3.5951 -3.5951 -3.5951 -3.5951 -2.8528 -2.8528 -2.8528 -2.8528 0.6775 0.6775 0.6775 0.6775 1.0472 1.0472 1.0472 1.0472 1.2325 1.2325 1.2325 1.2325 1.7637 1.7637 1.7637 1.7637 2.0085 2.0085 2.0085 2.0085 2.6204 2.6204 2.6204 2.6204 3.1651 3.1651 3.1651 3.1651 3.5122 3.5122 3.5122 3.5122 8.0492 8.0492 8.0492 8.0492 9.5698 9.5698 9.5698 9.5698 9.7901 9.7901 k = 0.5000-0.0000 0.2751 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5166 -12.5166 -12.5166 -12.5166 -5.6405 -5.6405 -5.6405 -5.6405 -3.5960 -3.5960 -3.5960 -3.5960 -2.8532 -2.8532 -2.8532 -2.8532 0.6771 0.6771 0.6771 0.6771 1.0502 1.0502 1.0502 1.0502 1.2368 1.2368 1.2368 1.2368 1.7625 1.7625 1.7625 1.7625 2.0100 2.0100 2.0100 2.0100 2.6203 2.6203 2.6203 2.6203 3.1695 3.1695 3.1695 3.1695 3.5103 3.5103 3.5103 3.5103 7.9972 7.9972 7.9972 7.9972 9.6201 9.6201 9.6201 9.6201 9.7802 9.7802 k = 0.5000-0.0000 0.2641 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5166 -12.5166 -12.5166 -12.5166 -5.6410 -5.6410 -5.6410 -5.6410 -3.5974 -3.5974 -3.5974 -3.5974 -2.8538 -2.8538 -2.8538 -2.8538 0.6766 0.6766 0.6766 0.6766 1.0542 1.0542 1.0542 1.0542 1.2429 1.2429 1.2429 1.2429 1.7610 1.7610 1.7610 1.7610 2.0121 2.0121 2.0121 2.0121 2.6202 2.6202 2.6202 2.6202 3.1756 3.1756 3.1756 3.1756 3.5079 3.5079 3.5079 3.5079 7.9302 7.9302 7.9302 7.9302 9.6846 9.6846 9.6846 9.6846 9.7669 9.7669 k = 0.5000-0.0000 0.2531 ( 4400 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5165 -12.5165 -12.5165 -12.5165 -5.6417 -5.6417 -5.6417 -5.6417 -3.5991 -3.5991 -3.5991 -3.5991 -2.8545 -2.8545 -2.8545 -2.8545 0.6758 0.6758 0.6758 0.6758 1.0594 1.0594 1.0594 1.0594 1.2506 1.2506 1.2506 1.2506 1.7591 1.7591 1.7591 1.7591 2.0146 2.0146 2.0146 2.0146 2.6203 2.6203 2.6203 2.6203 3.1833 3.1833 3.1833 3.1833 3.5047 3.5047 3.5047 3.5047 7.8516 7.8516 7.8516 7.8516 9.7465 9.7465 9.7465 9.7465 9.7634 9.7634 k = 0.5000-0.0000 0.2421 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5164 -12.5164 -12.5164 -12.5164 -5.6424 -5.6424 -5.6424 -5.6424 -3.6011 -3.6011 -3.6011 -3.6011 -2.8553 -2.8553 -2.8553 -2.8553 0.6750 0.6750 0.6750 0.6750 1.0655 1.0655 1.0655 1.0655 1.2598 1.2598 1.2598 1.2598 1.7568 1.7568 1.7568 1.7568 2.0177 2.0177 2.0177 2.0177 2.6205 2.6205 2.6205 2.6205 3.1925 3.1925 3.1925 3.1925 3.5010 3.5010 3.5010 3.5010 7.7649 7.7649 7.7649 7.7649 9.7293 9.7293 9.7293 9.7293 9.8434 9.8434 k = 0.5000-0.0000 0.2311 ( 4400 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5163 -12.5163 -12.5163 -12.5163 -5.6433 -5.6433 -5.6433 -5.6433 -3.6034 -3.6034 -3.6034 -3.6034 -2.8563 -2.8563 -2.8563 -2.8563 0.6740 0.6740 0.6740 0.6740 1.0726 1.0726 1.0726 1.0726 1.2706 1.2706 1.2706 1.2706 1.7540 1.7540 1.7540 1.7540 2.0211 2.0211 2.0211 2.0211 2.6210 2.6210 2.6210 2.6210 3.2029 3.2029 3.2029 3.2029 3.4966 3.4966 3.4966 3.4966 7.6724 7.6724 7.6724 7.6724 9.7072 9.7072 9.7072 9.7072 9.9303 9.9303 k = 0.5000-0.0000 0.2201 ( 4404 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5161 -12.5161 -12.5161 -12.5161 -5.6443 -5.6443 -5.6443 -5.6443 -3.6060 -3.6060 -3.6060 -3.6060 -2.8573 -2.8573 -2.8573 -2.8573 0.6728 0.6728 0.6728 0.6728 1.0805 1.0805 1.0805 1.0805 1.2827 1.2827 1.2827 1.2827 1.7509 1.7509 1.7509 1.7509 2.0249 2.0249 2.0249 2.0249 2.6218 2.6218 2.6218 2.6218 3.2144 3.2144 3.2144 3.2144 3.4918 3.4918 3.4918 3.4918 7.5763 7.5763 7.5763 7.5763 9.6829 9.6829 9.6829 9.6829 10.0197 10.0197 k = 0.5000-0.0000 0.2091 ( 4400 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5160 -12.5160 -12.5160 -12.5160 -5.6453 -5.6453 -5.6453 -5.6453 -3.6088 -3.6088 -3.6088 -3.6088 -2.8585 -2.8585 -2.8585 -2.8585 0.6715 0.6715 0.6715 0.6715 1.0892 1.0892 1.0892 1.0892 1.2961 1.2961 1.2961 1.2961 1.7474 1.7474 1.7474 1.7474 2.0291 2.0291 2.0291 2.0291 2.6231 2.6231 2.6231 2.6231 3.2269 3.2269 3.2269 3.2269 3.4865 3.4865 3.4865 3.4865 7.4781 7.4781 7.4781 7.4781 9.6569 9.6569 9.6569 9.6569 10.1096 10.1096 k = 0.5000-0.0000 0.1981 ( 4406 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5158 -12.5158 -12.5158 -12.5158 -5.6465 -5.6465 -5.6465 -5.6465 -3.6119 -3.6119 -3.6119 -3.6119 -2.8597 -2.8597 -2.8597 -2.8597 0.6701 0.6701 0.6701 0.6701 1.0985 1.0985 1.0985 1.0985 1.3107 1.3107 1.3107 1.3107 1.7435 1.7435 1.7435 1.7435 2.0334 2.0334 2.0334 2.0334 2.6250 2.6250 2.6250 2.6250 3.2402 3.2402 3.2402 3.2402 3.4808 3.4808 3.4808 3.4808 7.3791 7.3791 7.3791 7.3791 9.6298 9.6298 9.6298 9.6298 10.1985 10.1985 k = 0.5000-0.0000 0.1871 ( 4406 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5157 -12.5157 -12.5157 -12.5157 -5.6477 -5.6477 -5.6477 -5.6477 -3.6151 -3.6151 -3.6151 -3.6151 -2.8610 -2.8610 -2.8610 -2.8610 0.6687 0.6687 0.6687 0.6687 1.1084 1.1084 1.1084 1.1084 1.3262 1.3262 1.3262 1.3262 1.7393 1.7393 1.7393 1.7393 2.0380 2.0380 2.0380 2.0380 2.6274 2.6274 2.6274 2.6274 3.2540 3.2540 3.2540 3.2540 3.4749 3.4749 3.4749 3.4749 7.2803 7.2803 7.2803 7.2803 9.6019 9.6019 9.6019 9.6019 10.2851 10.2851 k = 0.5000-0.0000 0.1761 ( 4406 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5155 -12.5155 -12.5155 -12.5155 -5.6489 -5.6489 -5.6489 -5.6489 -3.6184 -3.6184 -3.6184 -3.6184 -2.8624 -2.8624 -2.8624 -2.8624 0.6671 0.6671 0.6671 0.6671 1.1187 1.1187 1.1187 1.1187 1.3425 1.3425 1.3425 1.3425 1.7349 1.7349 1.7349 1.7349 2.0426 2.0426 2.0426 2.0426 2.6305 2.6305 2.6305 2.6305 3.2683 3.2683 3.2683 3.2683 3.4687 3.4687 3.4687 3.4687 7.1827 7.1827 7.1827 7.1827 9.5737 9.5737 9.5737 9.5737 10.3684 10.3684 k = 0.5000-0.0000 0.1651 ( 4404 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5153 -12.5153 -12.5153 -12.5153 -5.6502 -5.6502 -5.6502 -5.6502 -3.6217 -3.6217 -3.6217 -3.6217 -2.8638 -2.8638 -2.8638 -2.8638 0.6655 0.6655 0.6655 0.6655 1.1293 1.1293 1.1293 1.1293 1.3595 1.3595 1.3595 1.3595 1.7301 1.7301 1.7301 1.7301 2.0472 2.0472 2.0472 2.0472 2.6344 2.6344 2.6344 2.6344 3.2827 3.2827 3.2827 3.2827 3.4625 3.4625 3.4625 3.4625 7.0870 7.0870 7.0870 7.0870 9.5455 9.5455 9.5455 9.5455 10.4474 10.4474 k = 0.5000-0.0000 0.1541 ( 4406 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5151 -12.5151 -12.5151 -12.5151 -5.6515 -5.6515 -5.6515 -5.6515 -3.6251 -3.6251 -3.6251 -3.6251 -2.8652 -2.8652 -2.8652 -2.8652 0.6638 0.6638 0.6638 0.6638 1.1402 1.1402 1.1402 1.1402 1.3768 1.3768 1.3768 1.3768 1.7251 1.7251 1.7251 1.7251 2.0517 2.0517 2.0517 2.0517 2.6389 2.6389 2.6389 2.6389 3.2969 3.2969 3.2969 3.2969 3.4564 3.4564 3.4564 3.4564 6.9939 6.9939 6.9939 6.9939 9.5177 9.5177 9.5177 9.5177 10.5213 10.5213 k = 0.5000-0.0000 0.1431 ( 4410 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5150 -12.5150 -12.5150 -12.5150 -5.6528 -5.6528 -5.6528 -5.6528 -3.6285 -3.6285 -3.6285 -3.6285 -2.8666 -2.8666 -2.8666 -2.8666 0.6621 0.6621 0.6621 0.6621 1.1511 1.1511 1.1511 1.1511 1.3944 1.3944 1.3944 1.3944 1.7199 1.7199 1.7199 1.7199 2.0560 2.0560 2.0560 2.0560 2.6441 2.6441 2.6441 2.6441 3.3109 3.3109 3.3109 3.3109 3.4505 3.4505 3.4505 3.4505 6.9039 6.9039 6.9039 6.9039 9.4906 9.4906 9.4906 9.4906 10.5896 10.5896 k = 0.5000-0.0000 0.1321 ( 4410 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5148 -12.5148 -12.5148 -12.5148 -5.6541 -5.6541 -5.6541 -5.6541 -3.6319 -3.6319 -3.6319 -3.6319 -2.8680 -2.8680 -2.8680 -2.8680 0.6605 0.6605 0.6605 0.6605 1.1621 1.1621 1.1621 1.1621 1.4120 1.4120 1.4120 1.4120 1.7145 1.7145 1.7145 1.7145 2.0601 2.0601 2.0601 2.0601 2.6500 2.6500 2.6500 2.6500 3.3241 3.3241 3.3241 3.3241 3.4451 3.4451 3.4451 3.4451 6.8178 6.8178 6.8178 6.8178 9.4644 9.4644 9.4644 9.4644 10.6516 10.6516 k = 0.5000-0.0000 0.1211 ( 4402 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5146 -12.5146 -12.5146 -12.5146 -5.6554 -5.6554 -5.6554 -5.6554 -3.6351 -3.6351 -3.6351 -3.6351 -2.8693 -2.8693 -2.8693 -2.8693 0.6589 0.6589 0.6589 0.6589 1.1728 1.1728 1.1728 1.1728 1.4294 1.4294 1.4294 1.4294 1.7091 1.7091 1.7091 1.7091 2.0640 2.0640 2.0640 2.0640 2.6565 2.6565 2.6565 2.6565 3.3364 3.3364 3.3364 3.3364 3.4404 3.4404 3.4404 3.4404 6.7359 6.7359 6.7359 6.7359 9.4395 9.4395 9.4395 9.4395 10.7072 10.7072 k = 0.5000-0.0000 0.1101 ( 4398 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5145 -12.5145 -12.5145 -12.5145 -5.6566 -5.6566 -5.6566 -5.6566 -3.6382 -3.6382 -3.6382 -3.6382 -2.8706 -2.8706 -2.8706 -2.8706 0.6573 0.6573 0.6573 0.6573 1.1833 1.1833 1.1833 1.1833 1.4464 1.4464 1.4464 1.4464 1.7035 1.7035 1.7035 1.7035 2.0675 2.0675 2.0675 2.0675 2.6634 2.6634 2.6634 2.6634 3.3472 3.3472 3.3472 3.3472 3.4369 3.4369 3.4369 3.4369 6.6589 6.6589 6.6589 6.6589 9.4161 9.4161 9.4161 9.4161 10.7561 10.7561 k = 0.5000-0.0000 0.0991 ( 4394 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5143 -12.5143 -12.5143 -12.5143 -5.6577 -5.6577 -5.6577 -5.6577 -3.6411 -3.6411 -3.6411 -3.6411 -2.8718 -2.8718 -2.8718 -2.8718 0.6558 0.6558 0.6558 0.6558 1.1933 1.1933 1.1933 1.1933 1.4628 1.4628 1.4628 1.4628 1.6979 1.6979 1.6979 1.6979 2.0707 2.0707 2.0707 2.0707 2.6706 2.6706 2.6706 2.6706 3.3561 3.3561 3.3561 3.3561 3.4348 3.4348 3.4348 3.4348 6.5873 6.5873 6.5873 6.5873 9.3943 9.3943 9.3943 9.3943 10.7985 10.7985 k = 0.5000-0.0000 0.0880 ( 4390 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5142 -12.5142 -12.5142 -12.5142 -5.6588 -5.6588 -5.6588 -5.6588 -3.6439 -3.6439 -3.6439 -3.6439 -2.8730 -2.8730 -2.8730 -2.8730 0.6544 0.6544 0.6544 0.6544 1.2027 1.2027 1.2027 1.2027 1.4784 1.4784 1.4784 1.4784 1.6923 1.6923 1.6923 1.6923 2.0735 2.0735 2.0735 2.0735 2.6779 2.6779 2.6779 2.6779 3.3626 3.3626 3.3626 3.3626 3.4346 3.4346 3.4346 3.4346 6.5216 6.5216 6.5216 6.5216 9.3743 9.3743 9.3743 9.3743 10.8346 10.8346 k = 0.5000-0.0000 0.0770 ( 4386 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5140 -12.5140 -12.5140 -12.5140 -5.6597 -5.6597 -5.6597 -5.6597 -3.6463 -3.6463 -3.6463 -3.6463 -2.8740 -2.8740 -2.8740 -2.8740 0.6531 0.6531 0.6531 0.6531 1.2115 1.2115 1.2115 1.2115 1.4930 1.4930 1.4930 1.4930 1.6868 1.6868 1.6868 1.6868 2.0759 2.0759 2.0759 2.0759 2.6852 2.6852 2.6852 2.6852 3.3666 3.3666 3.3666 3.3666 3.4364 3.4364 3.4364 3.4364 6.4623 6.4623 6.4623 6.4623 9.3564 9.3564 9.3564 9.3564 10.8647 10.8647 k = 0.5000-0.0000 0.0660 ( 4382 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5139 -12.5139 -12.5139 -12.5139 -5.6606 -5.6606 -5.6606 -5.6606 -3.6486 -3.6486 -3.6486 -3.6486 -2.8749 -2.8749 -2.8749 -2.8749 0.6520 0.6520 0.6520 0.6520 1.2194 1.2194 1.2194 1.2194 1.5064 1.5064 1.5064 1.5064 1.6815 1.6815 1.6815 1.6815 2.0778 2.0778 2.0778 2.0778 2.6921 2.6921 2.6921 2.6921 3.3684 3.3684 3.3684 3.3684 3.4397 3.4397 3.4397 3.4397 6.4097 6.4097 6.4097 6.4097 9.3406 9.3406 9.3406 9.3406 10.8894 10.8894 k = 0.5000-0.0000 0.0550 ( 4374 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5138 -12.5138 -12.5138 -12.5138 -5.6613 -5.6613 -5.6613 -5.6613 -3.6505 -3.6505 -3.6505 -3.6505 -2.8757 -2.8757 -2.8757 -2.8757 0.6510 0.6510 0.6510 0.6510 1.2263 1.2263 1.2263 1.2263 1.5184 1.5184 1.5184 1.5184 1.6765 1.6765 1.6765 1.6765 2.0795 2.0795 2.0795 2.0795 2.6984 2.6984 2.6984 2.6984 3.3687 3.3687 3.3687 3.3687 3.4439 3.4439 3.4439 3.4439 6.3645 6.3645 6.3645 6.3645 9.3270 9.3270 9.3270 9.3270 10.9091 10.9091 k = 0.5000-0.0000 0.0440 ( 4382 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5137 -12.5137 -12.5137 -12.5137 -5.6620 -5.6620 -5.6620 -5.6620 -3.6521 -3.6521 -3.6521 -3.6521 -2.8764 -2.8764 -2.8764 -2.8764 0.6502 0.6502 0.6502 0.6502 1.2321 1.2321 1.2321 1.2321 1.5288 1.5288 1.5288 1.5288 1.6718 1.6718 1.6718 1.6718 2.0807 2.0807 2.0807 2.0807 2.7040 2.7040 2.7040 2.7040 3.3682 3.3682 3.3682 3.3682 3.4481 3.4481 3.4481 3.4481 6.3268 6.3268 6.3268 6.3268 9.3158 9.3158 9.3158 9.3158 10.9243 10.9243 k = 0.5000-0.0000 0.0330 ( 4380 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6625 -5.6625 -5.6625 -5.6625 -3.6533 -3.6533 -3.6533 -3.6533 -2.8769 -2.8769 -2.8769 -2.8769 0.6495 0.6495 0.6495 0.6495 1.2368 1.2368 1.2368 1.2368 1.5372 1.5372 1.5372 1.5372 1.6679 1.6679 1.6679 1.6679 2.0817 2.0817 2.0817 2.0817 2.7086 2.7086 2.7086 2.7086 3.3673 3.3673 3.3673 3.3673 3.4519 3.4519 3.4519 3.4519 6.2972 6.2972 6.2972 6.2972 9.3070 9.3070 9.3070 9.3070 10.9356 10.9356 k = 0.5000-0.0000 0.0220 ( 4392 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6628 -5.6628 -5.6628 -5.6628 -3.6542 -3.6542 -3.6542 -3.6542 -2.8773 -2.8773 -2.8773 -2.8773 0.6490 0.6490 0.6490 0.6490 1.2402 1.2402 1.2402 1.2402 1.5436 1.5436 1.5436 1.5436 1.6648 1.6648 1.6648 1.6648 2.0823 2.0823 2.0823 2.0823 2.7120 2.7120 2.7120 2.7120 3.3664 3.3664 3.3664 3.3664 3.4549 3.4549 3.4549 3.4549 6.2758 6.2758 6.2758 6.2758 9.3007 9.3007 9.3007 9.3007 10.9434 10.9434 k = 0.5000-0.0000 0.0110 ( 4396 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6630 -5.6630 -5.6630 -5.6630 -3.6548 -3.6548 -3.6548 -3.6548 -2.8776 -2.8776 -2.8776 -2.8776 0.6488 0.6488 0.6488 0.6488 1.2422 1.2422 1.2422 1.2422 1.5475 1.5475 1.5475 1.5475 1.6628 1.6628 1.6628 1.6628 2.0827 2.0827 2.0827 2.0827 2.7141 2.7141 2.7141 2.7141 3.3659 3.3659 3.3659 3.3659 3.4567 3.4567 3.4567 3.4567 6.2629 6.2629 6.2629 6.2629 9.2968 9.2968 9.2968 9.2968 10.9479 10.9479 k = 0.5000-0.0000-0.0000 ( 4390 PWs) bands (ev): -20.8257 -20.8257 -20.8257 -20.8257 -12.5136 -12.5136 -12.5136 -12.5136 -5.6631 -5.6631 -5.6631 -5.6631 -3.6550 -3.6550 -3.6550 -3.6550 -2.8776 -2.8776 -2.8776 -2.8776 0.6487 0.6487 0.6487 0.6487 1.2430 1.2430 1.2430 1.2430 1.5489 1.5489 1.5489 1.5489 1.6621 1.6621 1.6621 1.6621 2.0828 2.0828 2.0828 2.0828 2.7148 2.7148 2.7148 2.7148 3.3657 3.3657 3.3657 3.3657 3.4574 3.4574 3.4574 3.4574 6.2586 6.2586 6.2586 6.2586 9.2956 9.2956 9.2956 9.2956 10.9494 10.9494 k = 0.5000 0.3098-0.0000 ( 4392 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6524 -5.6524 -5.6524 -5.6524 -3.7252 -3.7252 -3.7252 -3.7252 -2.8309 -2.8309 -2.8309 -2.8309 0.6407 0.6407 0.6407 0.6407 1.0044 1.0044 1.0044 1.0044 1.5271 1.5271 1.5271 1.5271 1.7952 1.7952 1.7952 1.7952 2.2104 2.2104 2.2104 2.2104 2.8278 2.8278 2.8278 2.8278 3.3085 3.3085 3.3085 3.3085 3.4465 3.4465 3.4465 3.4465 6.6876 6.6876 6.6876 6.6876 9.5622 9.5622 9.5622 9.5622 9.6423 9.6423 k = 0.5000 0.3098 0.0110 ( 4384 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6523 -5.6523 -5.6523 -5.6523 -3.7249 -3.7249 -3.7249 -3.7249 -2.8309 -2.8309 -2.8309 -2.8309 0.6409 0.6409 0.6409 0.6409 1.0036 1.0036 1.0036 1.0036 1.5268 1.5268 1.5268 1.5268 1.7951 1.7951 1.7951 1.7951 2.2093 2.2093 2.2093 2.2093 2.8282 2.8282 2.8282 2.8282 3.3092 3.3092 3.3092 3.3092 3.4457 3.4457 3.4457 3.4457 6.6914 6.6914 6.6914 6.6914 9.5638 9.5638 9.5638 9.5638 9.6424 9.6424 k = 0.5000 0.3098 0.0220 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5129 -12.5129 -12.5129 -12.5129 -5.6521 -5.6521 -5.6521 -5.6521 -3.7241 -3.7241 -3.7241 -3.7241 -2.8310 -2.8310 -2.8310 -2.8310 0.6415 0.6415 0.6415 0.6415 1.0009 1.0009 1.0009 1.0009 1.5257 1.5257 1.5257 1.5257 1.7946 1.7946 1.7946 1.7946 2.2060 2.2060 2.2060 2.2060 2.8293 2.8293 2.8293 2.8293 3.3113 3.3113 3.3113 3.3113 3.4434 3.4434 3.4434 3.4434 6.7028 6.7028 6.7028 6.7028 9.5685 9.5685 9.5685 9.5685 9.6427 9.6427 k = 0.5000 0.3098 0.0330 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5130 -12.5130 -12.5130 -12.5130 -5.6519 -5.6519 -5.6519 -5.6519 -3.7228 -3.7228 -3.7228 -3.7228 -2.8312 -2.8312 -2.8312 -2.8312 0.6426 0.6426 0.6426 0.6426 0.9965 0.9965 0.9965 0.9965 1.5239 1.5239 1.5239 1.5239 1.7940 1.7940 1.7940 1.7940 2.2006 2.2006 2.2006 2.2006 2.8312 2.8312 2.8312 2.8312 3.3147 3.3147 3.3147 3.3147 3.4397 3.4397 3.4397 3.4397 6.7218 6.7218 6.7218 6.7218 9.5762 9.5762 9.5762 9.5762 9.6433 9.6433 k = 0.5000 0.3098 0.0440 ( 4412 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5131 -12.5131 -12.5131 -12.5131 -5.6514 -5.6514 -5.6514 -5.6514 -3.7209 -3.7209 -3.7209 -3.7209 -2.8314 -2.8314 -2.8314 -2.8314 0.6441 0.6441 0.6441 0.6441 0.9905 0.9905 0.9905 0.9905 1.5212 1.5212 1.5212 1.5212 1.7931 1.7931 1.7931 1.7931 2.1934 2.1934 2.1934 2.1934 2.8337 2.8337 2.8337 2.8337 3.3193 3.3193 3.3193 3.3193 3.4347 3.4347 3.4347 3.4347 6.7482 6.7482 6.7482 6.7482 9.5867 9.5867 9.5867 9.5867 9.6443 9.6443 k = 0.5000 0.3098 0.0550 ( 4408 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5131 -12.5131 -12.5131 -12.5131 -5.6509 -5.6509 -5.6509 -5.6509 -3.7185 -3.7185 -3.7185 -3.7185 -2.8317 -2.8317 -2.8317 -2.8317 0.6460 0.6460 0.6460 0.6460 0.9830 0.9830 0.9830 0.9830 1.5176 1.5176 1.5176 1.5176 1.7920 1.7920 1.7920 1.7920 2.1846 2.1846 2.1846 2.1846 2.8368 2.8368 2.8368 2.8368 3.3247 3.3247 3.3247 3.3247 3.4287 3.4287 3.4287 3.4287 6.7819 6.7819 6.7819 6.7819 9.5995 9.5995 9.5995 9.5995 9.6461 9.6461 k = 0.5000 0.3098 0.0660 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5132 -12.5132 -12.5132 -12.5132 -5.6503 -5.6503 -5.6503 -5.6503 -3.7156 -3.7156 -3.7156 -3.7156 -2.8320 -2.8320 -2.8320 -2.8320 0.6482 0.6482 0.6482 0.6482 0.9742 0.9742 0.9742 0.9742 1.5131 1.5131 1.5131 1.5131 1.7909 1.7909 1.7909 1.7909 2.1746 2.1746 2.1746 2.1746 2.8403 2.8403 2.8403 2.8403 3.3305 3.3305 3.3305 3.3305 3.4222 3.4222 3.4222 3.4222 6.8225 6.8225 6.8225 6.8225 9.6136 9.6136 9.6136 9.6136 9.6496 9.6496 k = 0.5000 0.3098 0.0770 ( 4408 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5133 -12.5133 -12.5133 -12.5133 -5.6496 -5.6496 -5.6496 -5.6496 -3.7122 -3.7122 -3.7122 -3.7122 -2.8325 -2.8325 -2.8325 -2.8325 0.6509 0.6509 0.6509 0.6509 0.9641 0.9641 0.9641 0.9641 1.5074 1.5074 1.5074 1.5074 1.7897 1.7897 1.7897 1.7897 2.1636 2.1636 2.1636 2.1636 2.8440 2.8440 2.8440 2.8440 3.3359 3.3359 3.3359 3.3359 3.4159 3.4159 3.4159 3.4159 6.8700 6.8700 6.8700 6.8700 9.6260 9.6260 9.6260 9.6260 9.6575 9.6575 k = 0.5000 0.3098 0.0880 ( 4404 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5135 -12.5135 -12.5135 -12.5135 -5.6488 -5.6488 -5.6488 -5.6488 -3.7085 -3.7085 -3.7085 -3.7085 -2.8330 -2.8330 -2.8330 -2.8330 0.6538 0.6538 0.6538 0.6538 0.9530 0.9530 0.9530 0.9530 1.5007 1.5007 1.5007 1.5007 1.7885 1.7885 1.7885 1.7885 2.1519 2.1519 2.1519 2.1519 2.8480 2.8480 2.8480 2.8480 3.3397 3.3397 3.3397 3.3397 3.4110 3.4110 3.4110 3.4110 6.9238 6.9238 6.9238 6.9238 9.6335 9.6335 9.6335 9.6335 9.6728 9.6728 k = 0.5000 0.3098 0.0991 ( 4408 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5136 -12.5136 -12.5136 -12.5136 -5.6479 -5.6479 -5.6479 -5.6479 -3.7044 -3.7044 -3.7044 -3.7044 -2.8336 -2.8336 -2.8336 -2.8336 0.6571 0.6571 0.6571 0.6571 0.9410 0.9410 0.9410 0.9410 1.4929 1.4929 1.4929 1.4929 1.7874 1.7874 1.7874 1.7874 2.1398 2.1398 2.1398 2.1398 2.8521 2.8521 2.8521 2.8521 3.3402 3.3402 3.3402 3.3402 3.4093 3.4093 3.4093 3.4093 6.9838 6.9838 6.9838 6.9838 9.6371 9.6371 9.6371 9.6371 9.6942 9.6942 k = 0.5000 0.3098 0.1101 ( 4388 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5137 -12.5137 -12.5137 -12.5137 -5.6469 -5.6469 -5.6469 -5.6469 -3.6999 -3.6999 -3.6999 -3.6999 -2.8342 -2.8342 -2.8342 -2.8342 0.6606 0.6606 0.6606 0.6606 0.9284 0.9284 0.9284 0.9284 1.4839 1.4839 1.4839 1.4839 1.7865 1.7865 1.7865 1.7865 2.1277 2.1277 2.1277 2.1277 2.8562 2.8562 2.8562 2.8562 3.3362 3.3362 3.3362 3.3362 3.4118 3.4118 3.4118 3.4118 7.0495 7.0495 7.0495 7.0495 9.6392 9.6392 9.6392 9.6392 9.7192 9.7192 k = 0.5000 0.3098 0.1211 ( 4396 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5139 -12.5139 -12.5139 -12.5139 -5.6459 -5.6459 -5.6459 -5.6459 -3.6952 -3.6952 -3.6952 -3.6952 -2.8349 -2.8349 -2.8349 -2.8349 0.6644 0.6644 0.6644 0.6644 0.9153 0.9153 0.9153 0.9153 1.4738 1.4738 1.4738 1.4738 1.7856 1.7856 1.7856 1.7856 2.1157 2.1157 2.1157 2.1157 2.8602 2.8602 2.8602 2.8602 3.3281 3.3281 3.3281 3.3281 3.4182 3.4182 3.4182 3.4182 7.1206 7.1206 7.1206 7.1206 9.6405 9.6405 9.6405 9.6405 9.7467 9.7467 k = 0.5000 0.3098 0.1321 ( 4400 PWs) bands (ev): -20.8256 -20.8256 -20.8256 -20.8256 -12.5141 -12.5141 -12.5141 -12.5141 -5.6449 -5.6449 -5.6449 -5.6449 -3.6902 -3.6902 -3.6902 -3.6902 -2.8357 -2.8357 -2.8357 -2.8357 0.6683 0.6683 0.6683 0.6683 0.9018 0.9018 0.9018 0.9018 1.4628 1.4628 1.4628 1.4628 1.7849 1.7849 1.7849 1.7849 2.1040 2.1040 2.1040 2.1040 2.8642 2.8642 2.8642 2.8642 3.3172 3.3172 3.3172 3.3172 3.4273 3.4273 3.4273 3.4273 7.1966 7.1966 7.1966 7.1966 9.6414 9.6414 9.6414 9.6414 9.7758 9.7758 k = 0.5000 0.3098 0.1431 ( 4400 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5142 -12.5142 -12.5142 -12.5142 -5.6439 -5.6439 -5.6439 -5.6439 -3.6850 -3.6850 -3.6850 -3.6850 -2.8365 -2.8365 -2.8365 -2.8365 0.6723 0.6723 0.6723 0.6723 0.8882 0.8882 0.8882 0.8882 1.4509 1.4509 1.4509 1.4509 1.7844 1.7844 1.7844 1.7844 2.0928 2.0928 2.0928 2.0928 2.8679 2.8679 2.8679 2.8679 3.3045 3.3045 3.3045 3.3045 3.4379 3.4379 3.4379 3.4379 7.2771 7.2771 7.2771 7.2771 9.6420 9.6420 9.6420 9.6420 9.8062 9.8062 k = 0.5000 0.3098 0.1541 ( 4404 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5144 -12.5144 -12.5144 -12.5144 -5.6428 -5.6428 -5.6428 -5.6428 -3.6798 -3.6798 -3.6798 -3.6798 -2.8374 -2.8374 -2.8374 -2.8374 0.6764 0.6764 0.6764 0.6764 0.8747 0.8747 0.8747 0.8747 1.4384 1.4384 1.4384 1.4384 1.7841 1.7841 1.7841 1.7841 2.0821 2.0821 2.0821 2.0821 2.8715 2.8715 2.8715 2.8715 3.2909 3.2909 3.2909 3.2909 3.4493 3.4493 3.4493 3.4493 7.3615 7.3615 7.3615 7.3615 9.6424 9.6424 9.6424 9.6424 9.8375 9.8375 k = 0.5000 0.3098 0.1651 ( 4396 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5145 -12.5145 -12.5145 -12.5145 -5.6417 -5.6417 -5.6417 -5.6417 -3.6745 -3.6745 -3.6745 -3.6745 -2.8383 -2.8383 -2.8383 -2.8383 0.6806 0.6806 0.6806 0.6806 0.8614 0.8614 0.8614 0.8614 1.4254 1.4254 1.4254 1.4254 1.7840 1.7840 1.7840 1.7840 2.0722 2.0722 2.0722 2.0722 2.8749 2.8749 2.8749 2.8749 3.2769 3.2769 3.2769 3.2769 3.4611 3.4611 3.4611 3.4611 7.4494 7.4494 7.4494 7.4494 9.6426 9.6426 9.6426 9.6426 9.8692 9.8692 k = 0.5000 0.3098 0.1761 ( 4392 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5147 -12.5147 -12.5147 -12.5147 -5.6406 -5.6406 -5.6406 -5.6406 -3.6692 -3.6692 -3.6692 -3.6692 -2.8392 -2.8392 -2.8392 -2.8392 0.6847 0.6847 0.6847 0.6847 0.8484 0.8484 0.8484 0.8484 1.4122 1.4122 1.4122 1.4122 1.7841 1.7841 1.7841 1.7841 2.0630 2.0630 2.0630 2.0630 2.8781 2.8781 2.8781 2.8781 3.2627 3.2627 3.2627 3.2627 3.4729 3.4729 3.4729 3.4729 7.5402 7.5402 7.5402 7.5402 9.6425 9.6425 9.6425 9.6425 9.9009 9.9009 k = 0.5000 0.3098 0.1871 ( 4404 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5149 -12.5149 -12.5149 -12.5149 -5.6396 -5.6396 -5.6396 -5.6396 -3.6640 -3.6640 -3.6640 -3.6640 -2.8402 -2.8402 -2.8402 -2.8402 0.6887 0.6887 0.6887 0.6887 0.8359 0.8359 0.8359 0.8359 1.3990 1.3990 1.3990 1.3990 1.7842 1.7842 1.7842 1.7842 2.0545 2.0545 2.0545 2.0545 2.8810 2.8810 2.8810 2.8810 3.2487 3.2487 3.2487 3.2487 3.4845 3.4845 3.4845 3.4845 7.6331 7.6331 7.6331 7.6331 9.6420 9.6420 9.6420 9.6420 9.9322 9.9322 k = 0.5000 0.3098 0.1981 ( 4404 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5150 -12.5150 -12.5150 -12.5150 -5.6386 -5.6386 -5.6386 -5.6386 -3.6590 -3.6590 -3.6590 -3.6590 -2.8411 -2.8411 -2.8411 -2.8411 0.6926 0.6926 0.6926 0.6926 0.8241 0.8241 0.8241 0.8241 1.3860 1.3860 1.3860 1.3860 1.7845 1.7845 1.7845 1.7845 2.0468 2.0468 2.0468 2.0468 2.8836 2.8836 2.8836 2.8836 3.2352 3.2352 3.2352 3.2352 3.4956 3.4956 3.4956 3.4956 7.7274 7.7274 7.7274 7.7274 9.6411 9.6411 9.6411 9.6411 9.9628 9.9628 k = 0.5000 0.3098 0.2091 ( 4400 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5152 -12.5152 -12.5152 -12.5152 -5.6377 -5.6377 -5.6377 -5.6377 -3.6542 -3.6542 -3.6542 -3.6542 -2.8421 -2.8421 -2.8421 -2.8421 0.6963 0.6963 0.6963 0.6963 0.8131 0.8131 0.8131 0.8131 1.3734 1.3734 1.3734 1.3734 1.7848 1.7848 1.7848 1.7848 2.0399 2.0399 2.0399 2.0399 2.8860 2.8860 2.8860 2.8860 3.2223 3.2223 3.2223 3.2223 3.5061 3.5061 3.5061 3.5061 7.8222 7.8222 7.8222 7.8222 9.6397 9.6397 9.6397 9.6397 9.9921 9.9921 k = 0.5000 0.3098 0.2201 ( 4392 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5153 -12.5153 -12.5153 -12.5153 -5.6368 -5.6368 -5.6368 -5.6368 -3.6497 -3.6497 -3.6497 -3.6497 -2.8430 -2.8430 -2.8430 -2.8430 0.6997 0.6997 0.6997 0.6997 0.8030 0.8030 0.8030 0.8030 1.3616 1.3616 1.3616 1.3616 1.7853 1.7853 1.7853 1.7853 2.0337 2.0337 2.0337 2.0337 2.8882 2.8882 2.8882 2.8882 3.2103 3.2103 3.2103 3.2103 3.5159 3.5159 3.5159 3.5159 7.9164 7.9164 7.9164 7.9164 9.6376 9.6376 9.6376 9.6376 10.0199 10.0199 k = 0.5000 0.3098 0.2311 ( 4388 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5154 -12.5154 -12.5154 -12.5154 -5.6360 -5.6360 -5.6360 -5.6360 -3.6456 -3.6456 -3.6456 -3.6456 -2.8438 -2.8438 -2.8438 -2.8438 0.7028 0.7028 0.7028 0.7028 0.7939 0.7939 0.7939 0.7939 1.3507 1.3507 1.3507 1.3507 1.7857 1.7857 1.7857 1.7857 2.0283 2.0283 2.0283 2.0283 2.8901 2.8901 2.8901 2.8901 3.1994 3.1994 3.1994 3.1994 3.5249 3.5249 3.5249 3.5249 8.0087 8.0087 8.0087 8.0087 9.6347 9.6347 9.6347 9.6347 10.0455 10.0455 k = 0.5000 0.3098 0.2421 ( 4388 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5155 -12.5155 -12.5155 -12.5155 -5.6352 -5.6352 -5.6352 -5.6352 -3.6418 -3.6418 -3.6418 -3.6418 -2.8446 -2.8446 -2.8446 -2.8446 0.7055 0.7055 0.7055 0.7055 0.7859 0.7859 0.7859 0.7859 1.3408 1.3408 1.3408 1.3408 1.7861 1.7861 1.7861 1.7861 2.0237 2.0237 2.0237 2.0237 2.8918 2.8918 2.8918 2.8918 3.1895 3.1895 3.1895 3.1895 3.5328 3.5328 3.5328 3.5328 8.0975 8.0975 8.0975 8.0975 9.6308 9.6308 9.6308 9.6308 10.0688 10.0688 k = 0.5000 0.3098 0.2531 ( 4396 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5156 -12.5156 -12.5156 -12.5156 -5.6346 -5.6346 -5.6346 -5.6346 -3.6386 -3.6386 -3.6386 -3.6386 -2.8453 -2.8453 -2.8453 -2.8453 0.7079 0.7079 0.7079 0.7079 0.7790 0.7790 0.7790 0.7790 1.3322 1.3322 1.3322 1.3322 1.7864 1.7864 1.7864 1.7864 2.0197 2.0197 2.0197 2.0197 2.8932 2.8932 2.8932 2.8932 3.1809 3.1809 3.1809 3.1809 3.5397 3.5397 3.5397 3.5397 8.1807 8.1807 8.1807 8.1807 9.6260 9.6260 9.6260 9.6260 10.0892 10.0892 k = 0.5000 0.3098 0.2641 ( 4400 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5157 -12.5157 -12.5157 -12.5157 -5.6341 -5.6341 -5.6341 -5.6341 -3.6358 -3.6358 -3.6358 -3.6358 -2.8459 -2.8459 -2.8459 -2.8459 0.7097 0.7097 0.7097 0.7097 0.7734 0.7734 0.7734 0.7734 1.3249 1.3249 1.3249 1.3249 1.7868 1.7868 1.7868 1.7868 2.0165 2.0165 2.0165 2.0165 2.8943 2.8943 2.8943 2.8943 3.1737 3.1737 3.1737 3.1737 3.5454 3.5454 3.5454 3.5454 8.2557 8.2557 8.2557 8.2557 9.6201 9.6201 9.6201 9.6201 10.1065 10.1065 k = 0.5000 0.3098 0.2751 ( 4392 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5158 -12.5158 -12.5158 -12.5158 -5.6337 -5.6337 -5.6337 -5.6337 -3.6336 -3.6336 -3.6336 -3.6336 -2.8464 -2.8464 -2.8464 -2.8464 0.7112 0.7112 0.7112 0.7112 0.7691 0.7691 0.7691 0.7691 1.3191 1.3191 1.3191 1.3191 1.7871 1.7871 1.7871 1.7871 2.0141 2.0141 2.0141 2.0141 2.8952 2.8952 2.8952 2.8952 3.1680 3.1680 3.1680 3.1680 3.5500 3.5500 3.5500 3.5500 8.3195 8.3195 8.3195 8.3195 9.6137 9.6137 9.6137 9.6137 10.1204 10.1204 k = 0.5000 0.3098 0.2862 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5158 -12.5158 -12.5158 -12.5158 -5.6334 -5.6334 -5.6334 -5.6334 -3.6321 -3.6321 -3.6321 -3.6321 -2.8467 -2.8467 -2.8467 -2.8467 0.7122 0.7122 0.7122 0.7122 0.7660 0.7660 0.7660 0.7660 1.3150 1.3150 1.3150 1.3150 1.7873 1.7873 1.7873 1.7873 2.0123 2.0123 2.0123 2.0123 2.8959 2.8959 2.8959 2.8959 3.1639 3.1639 3.1639 3.1639 3.5532 3.5532 3.5532 3.5532 8.3687 8.3687 8.3687 8.3687 9.6077 9.6077 9.6077 9.6077 10.1308 10.1308 k = 0.5000 0.3098 0.2972 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5158 -12.5158 -12.5158 -12.5158 -5.6332 -5.6332 -5.6332 -5.6332 -3.6311 -3.6311 -3.6311 -3.6311 -2.8470 -2.8470 -2.8470 -2.8470 0.7128 0.7128 0.7128 0.7128 0.7641 0.7641 0.7641 0.7641 1.3124 1.3124 1.3124 1.3124 1.7874 1.7874 1.7874 1.7874 2.0113 2.0113 2.0113 2.0113 2.8963 2.8963 2.8963 2.8963 3.1615 3.1615 3.1615 3.1615 3.5552 3.5552 3.5552 3.5552 8.3999 8.3999 8.3999 8.3999 9.6032 9.6032 9.6032 9.6032 10.1377 10.1377 k = 0.5000 0.3098 0.3082 ( 4384 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -12.5159 -12.5159 -12.5159 -12.5159 -5.6331 -5.6331 -5.6331 -5.6331 -3.6308 -3.6308 -3.6308 -3.6308 -2.8470 -2.8470 -2.8470 -2.8470 0.7130 0.7130 0.7130 0.7130 0.7635 0.7635 0.7635 0.7635 1.3116 1.3116 1.3116 1.3116 1.7874 1.7874 1.7874 1.7874 2.0109 2.0109 2.0109 2.0109 2.8964 2.8964 2.8964 2.8964 3.1606 3.1606 3.1606 3.1606 3.5559 3.5559 3.5559 3.5559 8.4106 8.4106 8.4106 8.4106 9.6016 9.6016 9.6016 9.6016 10.1407 10.1407 Writing output data file AgCNO.save init_run : 0.33s CPU 0.59s WALL ( 1 calls) electrons : 255.63s CPU 260.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 255.62s CPU 260.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 412 calls) cegterg : 232.35s CPU 235.28s WALL ( 618 calls) Called by sum_band: Called by *egterg: h_psi : 117.92s CPU 119.81s WALL ( 9474 calls) s_psi : 7.10s CPU 7.35s WALL ( 9474 calls) g_psi : 0.30s CPU 0.36s WALL ( 8444 calls) cdiaghg : 95.40s CPU 96.15s WALL ( 8856 calls) cegterg:over : 10.67s CPU 10.70s WALL ( 8444 calls) cegterg:upda : 9.05s CPU 9.35s WALL ( 8444 calls) cegterg:last : 4.30s CPU 4.30s WALL ( 1442 calls) cdiaghg:chol : 5.44s CPU 5.53s WALL ( 8856 calls) cdiaghg:inve : 3.93s CPU 4.01s WALL ( 8856 calls) cdiaghg:para : 6.29s CPU 6.54s WALL ( 17712 calls) Called by h_psi: h_psi:vloc : 99.60s CPU 101.74s WALL ( 9474 calls) h_psi:vnl : 17.98s CPU 17.67s WALL ( 9474 calls) add_vuspsi : 8.51s CPU 8.65s WALL ( 9474 calls) General routines calbec : 9.43s CPU 8.99s WALL ( 9474 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 90.78s CPU 92.79s WALL ( 1202840 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.31s WALL ( 824 calls) Parallel routines fft_scatter : 35.23s CPU 36.01s WALL ( 1202863 calls) PWSCF : 4m39.22s CPU 5m 7.66s WALL This run was terminated on: 16:45:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=