Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 0: 1 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: ./PdCl2.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 92 39 11 5283 1488 231 Max 93 40 12 5285 1513 237 Sum 3319 1429 413 190233 54185 8407 bravais-lattice index = 14 lattice parameter (alat) = 7.2958 a.u. unit-cell volume = 885.6660 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.295816 celldm(2)= 1.437432 celldm(3)= 1.660413 celldm(4)= 0.294891 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 1.437432 0.000000 ) a(3) = ( 0.000000 0.489641 1.586576 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.695685 -0.214699 ) b(3) = ( 0.000000 0.000000 0.630288 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Cl 7.00 35.45300 Cl( 1.00) Pd 18.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2448204 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7932881 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 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 ) ( 0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.2448204 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7932881 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0000000 0.0121209), wk = 0.0034247 k( 3) = ( 0.0000000 0.0000000 0.0242418), wk = 0.0034247 k( 4) = ( 0.0000000 0.0000000 0.0363628), wk = 0.0034247 k( 5) = ( 0.0000000 0.0000000 0.0484837), wk = 0.0034247 k( 6) = ( 0.0000000 0.0000000 0.0606046), wk = 0.0034247 k( 7) = ( 0.0000000 0.0000000 0.0727255), wk = 0.0034247 k( 8) = ( 0.0000000 0.0000000 0.0848465), wk = 0.0034247 k( 9) = ( 0.0000000 0.0000000 0.0969674), wk = 0.0034247 k( 10) = ( 0.0000000 0.0000000 0.1090883), wk = 0.0034247 k( 11) = ( 0.0000000 0.0000000 0.1212092), wk = 0.0034247 k( 12) = ( 0.0000000 0.0000000 0.1333302), wk = 0.0034247 k( 13) = ( 0.0000000 0.0000000 0.1454511), wk = 0.0034247 k( 14) = ( 0.0000000 0.0000000 0.1575720), wk = 0.0034247 k( 15) = ( 0.0000000 0.0000000 0.1696929), wk = 0.0034247 k( 16) = ( 0.0000000 0.0000000 0.1818139), wk = 0.0034247 k( 17) = ( 0.0000000 0.0000000 0.1939348), wk = 0.0034247 k( 18) = ( 0.0000000 0.0000000 0.2060557), wk = 0.0034247 k( 19) = ( 0.0000000 0.0000000 0.2181766), wk = 0.0034247 k( 20) = ( 0.0000000 0.0000000 0.2302976), wk = 0.0034247 k( 21) = ( 0.0000000 0.0000000 0.2424185), wk = 0.0034247 k( 22) = ( 0.0000000 0.0000000 0.2545394), wk = 0.0034247 k( 23) = ( 0.0000000 0.0000000 0.2666603), wk = 0.0034247 k( 24) = ( 0.0000000 0.0000000 0.2787813), wk = 0.0034247 k( 25) = ( 0.0000000 0.0000000 0.2909022), wk = 0.0034247 k( 26) = ( 0.0000000 0.0000000 0.3030231), wk = 0.0034247 k( 27) = ( 0.0000000 0.0000000 0.3151440), wk = 0.0034247 k( 28) = ( 0.0000000 0.0000000 0.3151440), wk = 0.0034247 k( 29) = ( 0.0000000 0.0118214 0.3151440), wk = 0.0034247 k( 30) = ( 0.0000000 0.0236428 0.3151440), wk = 0.0034247 k( 31) = ( 0.0000000 0.0354642 0.3151440), wk = 0.0034247 k( 32) = ( 0.0000000 0.0472857 0.3151440), wk = 0.0034247 k( 33) = ( 0.0000000 0.0591071 0.3151440), wk = 0.0034247 k( 34) = ( 0.0000000 0.0709285 0.3151440), wk = 0.0034247 k( 35) = ( 0.0000000 0.0827499 0.3151440), wk = 0.0034247 k( 36) = ( 0.0000000 0.0945713 0.3151440), wk = 0.0034247 k( 37) = ( 0.0000000 0.1063927 0.3151440), wk = 0.0034247 k( 38) = ( 0.0000000 0.1182141 0.3151440), wk = 0.0034247 k( 39) = ( 0.0000000 0.1300356 0.3151440), wk = 0.0034247 k( 40) = ( 0.0000000 0.1418570 0.3151440), wk = 0.0034247 k( 41) = ( 0.0000000 0.1536784 0.3151440), wk = 0.0034247 k( 42) = ( 0.0000000 0.1654998 0.3151440), wk = 0.0034247 k( 43) = ( 0.0000000 0.1773212 0.3151440), wk = 0.0034247 k( 44) = ( 0.0000000 0.1891426 0.3151440), wk = 0.0034247 k( 45) = ( 0.0000000 0.2009640 0.3151440), wk = 0.0034247 k( 46) = ( 0.0000000 0.2127855 0.3151440), wk = 0.0034247 k( 47) = ( 0.0000000 0.2246069 0.3151440), wk = 0.0034247 k( 48) = ( 0.0000000 0.2364283 0.3151440), wk = 0.0034247 k( 49) = ( 0.0000000 0.2482497 0.3151440), wk = 0.0034247 k( 50) = ( 0.0000000 0.2600711 0.3151440), wk = 0.0034247 k( 51) = ( 0.0000000 0.2718925 0.3151440), wk = 0.0034247 k( 52) = ( 0.0000000 0.2837139 0.3151440), wk = 0.0034247 k( 53) = ( 0.0000000 0.2837139 0.3151440), wk = 0.0034247 k( 54) = ( 0.0000000 0.2895438 0.3053850), wk = 0.0034247 k( 55) = ( 0.0000000 0.2953737 0.2956260), wk = 0.0034247 k( 56) = ( 0.0000000 0.3012035 0.2858669), wk = 0.0034247 k( 57) = ( 0.0000000 0.3070334 0.2761079), wk = 0.0034247 k( 58) = ( 0.0000000 0.3128633 0.2663489), wk = 0.0034247 k( 59) = ( 0.0000000 0.3186931 0.2565899), wk = 0.0034247 k( 60) = ( 0.0000000 0.3245230 0.2468308), wk = 0.0034247 k( 61) = ( 0.0000000 0.3303529 0.2370718), wk = 0.0034247 k( 62) = ( 0.0000000 0.3361827 0.2273128), wk = 0.0034247 k( 63) = ( 0.0000000 0.3420126 0.2175537), wk = 0.0034247 k( 64) = ( 0.0000000 0.3478425 0.2077947), wk = 0.0034247 k( 65) = ( 0.0000000 0.3478425 0.2077947), wk = 0.0034247 k( 66) = ( 0.0121951 0.3478425 0.2077947), wk = 0.0034247 k( 67) = ( 0.0243902 0.3478425 0.2077947), wk = 0.0034247 k( 68) = ( 0.0365854 0.3478425 0.2077947), wk = 0.0034247 k( 69) = ( 0.0487805 0.3478425 0.2077947), wk = 0.0034247 k( 70) = ( 0.0609756 0.3478425 0.2077947), wk = 0.0034247 k( 71) = ( 0.0731707 0.3478425 0.2077947), wk = 0.0034247 k( 72) = ( 0.0853658 0.3478425 0.2077947), wk = 0.0034247 k( 73) = ( 0.0975610 0.3478425 0.2077947), wk = 0.0034247 k( 74) = ( 0.1097561 0.3478425 0.2077947), wk = 0.0034247 k( 75) = ( 0.1219512 0.3478425 0.2077947), wk = 0.0034247 k( 76) = ( 0.1341463 0.3478425 0.2077947), wk = 0.0034247 k( 77) = ( 0.1463415 0.3478425 0.2077947), wk = 0.0034247 k( 78) = ( 0.1585366 0.3478425 0.2077947), wk = 0.0034247 k( 79) = ( 0.1707317 0.3478425 0.2077947), wk = 0.0034247 k( 80) = ( 0.1829268 0.3478425 0.2077947), wk = 0.0034247 k( 81) = ( 0.1951219 0.3478425 0.2077947), wk = 0.0034247 k( 82) = ( 0.2073171 0.3478425 0.2077947), wk = 0.0034247 k( 83) = ( 0.2195122 0.3478425 0.2077947), wk = 0.0034247 k( 84) = ( 0.2317073 0.3478425 0.2077947), wk = 0.0034247 k( 85) = ( 0.2439024 0.3478425 0.2077947), wk = 0.0034247 k( 86) = ( 0.2560976 0.3478425 0.2077947), wk = 0.0034247 k( 87) = ( 0.2682927 0.3478425 0.2077947), wk = 0.0034247 k( 88) = ( 0.2804878 0.3478425 0.2077947), wk = 0.0034247 k( 89) = ( 0.2926829 0.3478425 0.2077947), wk = 0.0034247 k( 90) = ( 0.3048781 0.3478425 0.2077947), wk = 0.0034247 k( 91) = ( 0.3170732 0.3478425 0.2077947), wk = 0.0034247 k( 92) = ( 0.3292683 0.3478425 0.2077947), wk = 0.0034247 k( 93) = ( 0.3414634 0.3478425 0.2077947), wk = 0.0034247 k( 94) = ( 0.3536585 0.3478425 0.2077947), wk = 0.0034247 k( 95) = ( 0.3658537 0.3478425 0.2077947), wk = 0.0034247 k( 96) = ( 0.3780488 0.3478425 0.2077947), wk = 0.0034247 k( 97) = ( 0.3902439 0.3478425 0.2077947), wk = 0.0034247 k( 98) = ( 0.4024390 0.3478425 0.2077947), wk = 0.0034247 k( 99) = ( 0.4146341 0.3478425 0.2077947), wk = 0.0034247 k( 100) = ( 0.4268293 0.3478425 0.2077947), wk = 0.0034247 k( 101) = ( 0.4390244 0.3478425 0.2077947), wk = 0.0034247 k( 102) = ( 0.4512195 0.3478425 0.2077947), wk = 0.0034247 k( 103) = ( 0.4634146 0.3478425 0.2077947), wk = 0.0034247 k( 104) = ( 0.4756098 0.3478425 0.2077947), wk = 0.0034247 k( 105) = ( 0.4878049 0.3478425 0.2077947), wk = 0.0034247 k( 106) = ( 0.5000000 0.3478425 0.2077947), wk = 0.0034247 k( 107) = ( 0.5000000 0.3478425 0.2077947), wk = 0.0034247 k( 108) = ( 0.5000000 0.3536723 0.1980357), wk = 0.0034247 k( 109) = ( 0.5000000 0.3595022 0.1882766), wk = 0.0034247 k( 110) = ( 0.5000000 0.3653321 0.1785176), wk = 0.0034247 k( 111) = ( 0.5000000 0.3711619 0.1687586), wk = 0.0034247 k( 112) = ( 0.5000000 0.3769918 0.1589996), wk = 0.0034247 k( 113) = ( 0.5000000 0.3828217 0.1492405), wk = 0.0034247 k( 114) = ( 0.5000000 0.3886515 0.1394815), wk = 0.0034247 k( 115) = ( 0.5000000 0.3944814 0.1297225), wk = 0.0034247 k( 116) = ( 0.5000000 0.4003113 0.1199634), wk = 0.0034247 k( 117) = ( 0.5000000 0.4061411 0.1102044), wk = 0.0034247 k( 118) = ( 0.5000000 0.4119710 0.1004454), wk = 0.0034247 k( 119) = ( 0.5000000 0.4119710 0.1004454), wk = 0.0034247 k( 120) = ( 0.5000000 0.4084083 0.0889012), wk = 0.0034247 k( 121) = ( 0.5000000 0.4048456 0.0773571), wk = 0.0034247 k( 122) = ( 0.5000000 0.4012829 0.0658129), wk = 0.0034247 k( 123) = ( 0.5000000 0.3977202 0.0542688), wk = 0.0034247 k( 124) = ( 0.5000000 0.3941575 0.0427246), wk = 0.0034247 k( 125) = ( 0.5000000 0.3905948 0.0311805), wk = 0.0034247 k( 126) = ( 0.5000000 0.3870321 0.0196363), wk = 0.0034247 k( 127) = ( 0.5000000 0.3834694 0.0080922), wk = 0.0034247 k( 128) = ( 0.5000000 0.3799067 -0.0034520), wk = 0.0034247 k( 129) = ( 0.5000000 0.3763440 -0.0149961), wk = 0.0034247 k( 130) = ( 0.5000000 0.3727813 -0.0265403), wk = 0.0034247 k( 131) = ( 0.5000000 0.3692186 -0.0380844), wk = 0.0034247 k( 132) = ( 0.5000000 0.3656559 -0.0496286), wk = 0.0034247 k( 133) = ( 0.5000000 0.3620932 -0.0611727), wk = 0.0034247 k( 134) = ( 0.5000000 0.3585305 -0.0727169), wk = 0.0034247 k( 135) = ( 0.5000000 0.3549679 -0.0842610), wk = 0.0034247 k( 136) = ( 0.5000000 0.3514052 -0.0958052), wk = 0.0034247 k( 137) = ( 0.5000000 0.3478425 -0.1073493), wk = 0.0034247 k( 138) = ( 0.5000000 0.3478425 -0.1073493), wk = 0.0034247 k( 139) = ( 0.4878049 0.3478425 -0.1073493), wk = 0.0034247 k( 140) = ( 0.4756098 0.3478425 -0.1073493), wk = 0.0034247 k( 141) = ( 0.4634146 0.3478425 -0.1073493), wk = 0.0034247 k( 142) = ( 0.4512195 0.3478425 -0.1073493), wk = 0.0034247 k( 143) = ( 0.4390244 0.3478425 -0.1073493), wk = 0.0034247 k( 144) = ( 0.4268293 0.3478425 -0.1073493), wk = 0.0034247 k( 145) = ( 0.4146341 0.3478425 -0.1073493), wk = 0.0034247 k( 146) = ( 0.4024390 0.3478425 -0.1073493), wk = 0.0034247 k( 147) = ( 0.3902439 0.3478425 -0.1073493), wk = 0.0034247 k( 148) = ( 0.3780488 0.3478425 -0.1073493), wk = 0.0034247 k( 149) = ( 0.3658537 0.3478425 -0.1073493), wk = 0.0034247 k( 150) = ( 0.3536585 0.3478425 -0.1073493), wk = 0.0034247 k( 151) = ( 0.3414634 0.3478425 -0.1073493), wk = 0.0034247 k( 152) = ( 0.3292683 0.3478425 -0.1073493), wk = 0.0034247 k( 153) = ( 0.3170732 0.3478425 -0.1073493), wk = 0.0034247 k( 154) = ( 0.3048781 0.3478425 -0.1073493), wk = 0.0034247 k( 155) = ( 0.2926829 0.3478425 -0.1073493), wk = 0.0034247 k( 156) = ( 0.2804878 0.3478425 -0.1073493), wk = 0.0034247 k( 157) = ( 0.2682927 0.3478425 -0.1073493), wk = 0.0034247 k( 158) = ( 0.2560976 0.3478425 -0.1073493), wk = 0.0034247 k( 159) = ( 0.2439024 0.3478425 -0.1073493), wk = 0.0034247 k( 160) = ( 0.2317073 0.3478425 -0.1073493), wk = 0.0034247 k( 161) = ( 0.2195122 0.3478425 -0.1073493), wk = 0.0034247 k( 162) = ( 0.2073171 0.3478425 -0.1073493), wk = 0.0034247 k( 163) = ( 0.1951219 0.3478425 -0.1073493), wk = 0.0034247 k( 164) = ( 0.1829268 0.3478425 -0.1073493), wk = 0.0034247 k( 165) = ( 0.1707317 0.3478425 -0.1073493), wk = 0.0034247 k( 166) = ( 0.1585366 0.3478425 -0.1073493), wk = 0.0034247 k( 167) = ( 0.1463415 0.3478425 -0.1073493), wk = 0.0034247 k( 168) = ( 0.1341463 0.3478425 -0.1073493), wk = 0.0034247 k( 169) = ( 0.1219512 0.3478425 -0.1073493), wk = 0.0034247 k( 170) = ( 0.1097561 0.3478425 -0.1073493), wk = 0.0034247 k( 171) = ( 0.0975610 0.3478425 -0.1073493), wk = 0.0034247 k( 172) = ( 0.0853658 0.3478425 -0.1073493), wk = 0.0034247 k( 173) = ( 0.0731707 0.3478425 -0.1073493), wk = 0.0034247 k( 174) = ( 0.0609756 0.3478425 -0.1073493), wk = 0.0034247 k( 175) = ( 0.0487805 0.3478425 -0.1073493), wk = 0.0034247 k( 176) = ( 0.0365854 0.3478425 -0.1073493), wk = 0.0034247 k( 177) = ( 0.0243902 0.3478425 -0.1073493), wk = 0.0034247 k( 178) = ( 0.0121951 0.3478425 -0.1073493), wk = 0.0034247 k( 179) = ( 0.0000000 0.3478425 -0.1073493), wk = 0.0034247 k( 180) = ( 0.0000000 0.3478425 -0.1073493), wk = 0.0034247 k( 181) = ( 0.0000000 0.3514052 -0.0958052), wk = 0.0034247 k( 182) = ( 0.0000000 0.3549679 -0.0842610), wk = 0.0034247 k( 183) = ( 0.0000000 0.3585305 -0.0727169), wk = 0.0034247 k( 184) = ( 0.0000000 0.3620932 -0.0611727), wk = 0.0034247 k( 185) = ( 0.0000000 0.3656559 -0.0496286), wk = 0.0034247 k( 186) = ( 0.0000000 0.3692186 -0.0380844), wk = 0.0034247 k( 187) = ( 0.0000000 0.3727813 -0.0265403), wk = 0.0034247 k( 188) = ( 0.0000000 0.3763440 -0.0149961), wk = 0.0034247 k( 189) = ( 0.0000000 0.3799067 -0.0034520), wk = 0.0034247 k( 190) = ( 0.0000000 0.3834694 0.0080922), wk = 0.0034247 k( 191) = ( 0.0000000 0.3870321 0.0196363), wk = 0.0034247 k( 192) = ( 0.0000000 0.3905948 0.0311805), wk = 0.0034247 k( 193) = ( 0.0000000 0.3941575 0.0427246), wk = 0.0034247 k( 194) = ( 0.0000000 0.3977202 0.0542688), wk = 0.0034247 k( 195) = ( 0.0000000 0.4012829 0.0658129), wk = 0.0034247 k( 196) = ( 0.0000000 0.4048456 0.0773571), wk = 0.0034247 k( 197) = ( 0.0000000 0.4084083 0.0889012), wk = 0.0034247 k( 198) = ( 0.0000000 0.4119710 0.1004454), wk = 0.0034247 k( 199) = ( 0.5000000 0.2837139 0.3151440), wk = 0.0034247 k( 200) = ( 0.5000000 0.2718925 0.3151440), wk = 0.0034247 k( 201) = ( 0.5000000 0.2600711 0.3151440), wk = 0.0034247 k( 202) = ( 0.5000000 0.2482497 0.3151440), wk = 0.0034247 k( 203) = ( 0.5000000 0.2364283 0.3151440), wk = 0.0034247 k( 204) = ( 0.5000000 0.2246069 0.3151440), wk = 0.0034247 k( 205) = ( 0.5000000 0.2127855 0.3151440), wk = 0.0034247 k( 206) = ( 0.5000000 0.2009640 0.3151440), wk = 0.0034247 k( 207) = ( 0.5000000 0.1891426 0.3151440), wk = 0.0034247 k( 208) = ( 0.5000000 0.1773212 0.3151440), wk = 0.0034247 k( 209) = ( 0.5000000 0.1654998 0.3151440), wk = 0.0034247 k( 210) = ( 0.5000000 0.1536784 0.3151440), wk = 0.0034247 k( 211) = ( 0.5000000 0.1418570 0.3151440), wk = 0.0034247 k( 212) = ( 0.5000000 0.1300356 0.3151440), wk = 0.0034247 k( 213) = ( 0.5000000 0.1182141 0.3151440), wk = 0.0034247 k( 214) = ( 0.5000000 0.1063927 0.3151440), wk = 0.0034247 k( 215) = ( 0.5000000 0.0945713 0.3151440), wk = 0.0034247 k( 216) = ( 0.5000000 0.0827499 0.3151440), wk = 0.0034247 k( 217) = ( 0.5000000 0.0709285 0.3151440), wk = 0.0034247 k( 218) = ( 0.5000000 0.0591071 0.3151440), wk = 0.0034247 k( 219) = ( 0.5000000 0.0472857 0.3151440), wk = 0.0034247 k( 220) = ( 0.5000000 0.0354642 0.3151440), wk = 0.0034247 k( 221) = ( 0.5000000 0.0236428 0.3151440), wk = 0.0034247 k( 222) = ( 0.5000000 0.0118214 0.3151440), wk = 0.0034247 k( 223) = ( 0.5000000 -0.0000000 0.3151440), wk = 0.0034247 k( 224) = ( 0.5000000 -0.0000000 0.3151440), wk = 0.0034247 k( 225) = ( 0.5000000 -0.0000000 0.3030231), wk = 0.0034247 k( 226) = ( 0.5000000 -0.0000000 0.2909022), wk = 0.0034247 k( 227) = ( 0.5000000 -0.0000000 0.2787813), wk = 0.0034247 k( 228) = ( 0.5000000 -0.0000000 0.2666603), wk = 0.0034247 k( 229) = ( 0.5000000 -0.0000000 0.2545394), wk = 0.0034247 k( 230) = ( 0.5000000 -0.0000000 0.2424185), wk = 0.0034247 k( 231) = ( 0.5000000 -0.0000000 0.2302976), wk = 0.0034247 k( 232) = ( 0.5000000 -0.0000000 0.2181766), wk = 0.0034247 k( 233) = ( 0.5000000 -0.0000000 0.2060557), wk = 0.0034247 k( 234) = ( 0.5000000 -0.0000000 0.1939348), wk = 0.0034247 k( 235) = ( 0.5000000 -0.0000000 0.1818139), wk = 0.0034247 k( 236) = ( 0.5000000 -0.0000000 0.1696929), wk = 0.0034247 k( 237) = ( 0.5000000 -0.0000000 0.1575720), wk = 0.0034247 k( 238) = ( 0.5000000 -0.0000000 0.1454511), wk = 0.0034247 k( 239) = ( 0.5000000 -0.0000000 0.1333302), wk = 0.0034247 k( 240) = ( 0.5000000 -0.0000000 0.1212092), wk = 0.0034247 k( 241) = ( 0.5000000 -0.0000000 0.1090883), wk = 0.0034247 k( 242) = ( 0.5000000 -0.0000000 0.0969674), wk = 0.0034247 k( 243) = ( 0.5000000 -0.0000000 0.0848465), wk = 0.0034247 k( 244) = ( 0.5000000 -0.0000000 0.0727255), wk = 0.0034247 k( 245) = ( 0.5000000 -0.0000000 0.0606046), wk = 0.0034247 k( 246) = ( 0.5000000 -0.0000000 0.0484837), wk = 0.0034247 k( 247) = ( 0.5000000 -0.0000000 0.0363628), wk = 0.0034247 k( 248) = ( 0.5000000 -0.0000000 0.0242418), wk = 0.0034247 k( 249) = ( 0.5000000 -0.0000000 0.0121209), wk = 0.0034247 k( 250) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034247 k( 251) = ( 0.0000000 0.0000000 0.3151440), wk = 0.0034247 k( 252) = ( 0.0121951 -0.0000000 0.3151440), wk = 0.0034247 k( 253) = ( 0.0243902 -0.0000000 0.3151440), wk = 0.0034247 k( 254) = ( 0.0365854 -0.0000000 0.3151440), wk = 0.0034247 k( 255) = ( 0.0487805 -0.0000000 0.3151440), wk = 0.0034247 k( 256) = ( 0.0609756 -0.0000000 0.3151440), wk = 0.0034247 k( 257) = ( 0.0731707 -0.0000000 0.3151440), wk = 0.0034247 k( 258) = ( 0.0853658 -0.0000000 0.3151440), wk = 0.0034247 k( 259) = ( 0.0975610 -0.0000000 0.3151440), wk = 0.0034247 k( 260) = ( 0.1097561 -0.0000000 0.3151440), wk = 0.0034247 k( 261) = ( 0.1219512 -0.0000000 0.3151440), wk = 0.0034247 k( 262) = ( 0.1341463 -0.0000000 0.3151440), wk = 0.0034247 k( 263) = ( 0.1463415 -0.0000000 0.3151440), wk = 0.0034247 k( 264) = ( 0.1585366 -0.0000000 0.3151440), wk = 0.0034247 k( 265) = ( 0.1707317 -0.0000000 0.3151440), wk = 0.0034247 k( 266) = ( 0.1829268 -0.0000000 0.3151440), wk = 0.0034247 k( 267) = ( 0.1951219 -0.0000000 0.3151440), wk = 0.0034247 k( 268) = ( 0.2073171 -0.0000000 0.3151440), wk = 0.0034247 k( 269) = ( 0.2195122 -0.0000000 0.3151440), wk = 0.0034247 k( 270) = ( 0.2317073 -0.0000000 0.3151440), wk = 0.0034247 k( 271) = ( 0.2439024 -0.0000000 0.3151440), wk = 0.0034247 k( 272) = ( 0.2560976 -0.0000000 0.3151440), wk = 0.0034247 k( 273) = ( 0.2682927 -0.0000000 0.3151440), wk = 0.0034247 k( 274) = ( 0.2804878 -0.0000000 0.3151440), wk = 0.0034247 k( 275) = ( 0.2926829 -0.0000000 0.3151440), wk = 0.0034247 k( 276) = ( 0.3048781 -0.0000000 0.3151440), wk = 0.0034247 k( 277) = ( 0.3170732 -0.0000000 0.3151440), wk = 0.0034247 k( 278) = ( 0.3292683 -0.0000000 0.3151440), wk = 0.0034247 k( 279) = ( 0.3414634 -0.0000000 0.3151440), wk = 0.0034247 k( 280) = ( 0.3536585 -0.0000000 0.3151440), wk = 0.0034247 k( 281) = ( 0.3658537 -0.0000000 0.3151440), wk = 0.0034247 k( 282) = ( 0.3780488 -0.0000000 0.3151440), wk = 0.0034247 k( 283) = ( 0.3902439 -0.0000000 0.3151440), wk = 0.0034247 k( 284) = ( 0.4024390 -0.0000000 0.3151440), wk = 0.0034247 k( 285) = ( 0.4146341 -0.0000000 0.3151440), wk = 0.0034247 k( 286) = ( 0.4268293 -0.0000000 0.3151440), wk = 0.0034247 k( 287) = ( 0.4390244 -0.0000000 0.3151440), wk = 0.0034247 k( 288) = ( 0.4512195 -0.0000000 0.3151440), wk = 0.0034247 k( 289) = ( 0.4634146 -0.0000000 0.3151440), wk = 0.0034247 k( 290) = ( 0.4756098 -0.0000000 0.3151440), wk = 0.0034247 k( 291) = ( 0.4878049 -0.0000000 0.3151440), wk = 0.0034247 k( 292) = ( 0.5000000 -0.0000000 0.3151440), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0034247 k( 3) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0034247 k( 4) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0034247 k( 5) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0034247 k( 6) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0034247 k( 7) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0034247 k( 8) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0034247 k( 9) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0034247 k( 10) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0034247 k( 11) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0034247 k( 12) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0034247 k( 13) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0034247 k( 14) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034247 k( 15) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0034247 k( 16) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0034247 k( 17) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0034247 k( 18) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0034247 k( 19) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0034247 k( 20) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0034247 k( 21) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0034247 k( 22) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0034247 k( 23) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0034247 k( 24) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0034247 k( 25) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0034247 k( 26) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0034247 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 29) = ( 0.0000000 0.0169925 0.5057883), wk = 0.0034247 k( 30) = ( 0.0000000 0.0339850 0.5115765), wk = 0.0034247 k( 31) = ( 0.0000000 0.0509774 0.5173647), wk = 0.0034247 k( 32) = ( 0.0000000 0.0679699 0.5231530), wk = 0.0034247 k( 33) = ( 0.0000000 0.0849624 0.5289412), wk = 0.0034247 k( 34) = ( 0.0000000 0.1019549 0.5347295), wk = 0.0034247 k( 35) = ( 0.0000000 0.1189474 0.5405177), wk = 0.0034247 k( 36) = ( 0.0000000 0.1359399 0.5463060), wk = 0.0034247 k( 37) = ( 0.0000000 0.1529323 0.5520942), wk = 0.0034247 k( 38) = ( 0.0000000 0.1699248 0.5578825), wk = 0.0034247 k( 39) = ( 0.0000000 0.1869173 0.5636707), wk = 0.0034247 k( 40) = ( 0.0000000 0.2039098 0.5694590), wk = 0.0034247 k( 41) = ( 0.0000000 0.2209023 0.5752472), wk = 0.0034247 k( 42) = ( 0.0000000 0.2378948 0.5810355), wk = 0.0034247 k( 43) = ( 0.0000000 0.2548872 0.5868237), wk = 0.0034247 k( 44) = ( 0.0000000 0.2718797 0.5926120), wk = 0.0034247 k( 45) = ( 0.0000000 0.2888722 0.5984002), wk = 0.0034247 k( 46) = ( 0.0000000 0.3058647 0.6041884), wk = 0.0034247 k( 47) = ( 0.0000000 0.3228572 0.6099767), wk = 0.0034247 k( 48) = ( 0.0000000 0.3398497 0.6157649), wk = 0.0034247 k( 49) = ( 0.0000000 0.3568421 0.6215532), wk = 0.0034247 k( 50) = ( 0.0000000 0.3738346 0.6273414), wk = 0.0034247 k( 51) = ( 0.0000000 0.3908271 0.6331297), wk = 0.0034247 k( 52) = ( 0.0000000 0.4078196 0.6389179), wk = 0.0034247 k( 53) = ( 0.0000000 0.4078196 0.6389179), wk = 0.0034247 k( 54) = ( 0.0000000 0.4161996 0.6262890), wk = 0.0034247 k( 55) = ( 0.0000000 0.4245797 0.6136601), wk = 0.0034247 k( 56) = ( 0.0000000 0.4329597 0.6010312), wk = 0.0034247 k( 57) = ( 0.0000000 0.4413397 0.5884023), wk = 0.0034247 k( 58) = ( 0.0000000 0.4497198 0.5757734), wk = 0.0034247 k( 59) = ( 0.0000000 0.4580998 0.5631445), wk = 0.0034247 k( 60) = ( 0.0000000 0.4664798 0.5505156), wk = 0.0034247 k( 61) = ( 0.0000000 0.4748599 0.5378867), wk = 0.0034247 k( 62) = ( 0.0000000 0.4832399 0.5252578), wk = 0.0034247 k( 63) = ( 0.0000000 0.4916200 0.5126289), wk = 0.0034247 k( 64) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 65) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 66) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0034247 k( 67) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0034247 k( 68) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0034247 k( 69) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0034247 k( 70) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0034247 k( 71) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0034247 k( 72) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0034247 k( 73) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0034247 k( 74) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0034247 k( 75) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0034247 k( 76) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0034247 k( 77) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0034247 k( 78) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0034247 k( 79) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0034247 k( 80) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0034247 k( 81) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0034247 k( 82) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0034247 k( 83) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0034247 k( 84) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0034247 k( 85) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0034247 k( 86) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0034247 k( 87) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0034247 k( 88) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0034247 k( 89) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0034247 k( 90) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0034247 k( 91) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0034247 k( 92) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0034247 k( 93) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0034247 k( 94) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0034247 k( 95) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0034247 k( 96) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0034247 k( 97) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0034247 k( 98) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0034247 k( 99) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0034247 k( 100) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0034247 k( 101) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0034247 k( 102) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0034247 k( 103) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0034247 k( 104) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0034247 k( 105) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0034247 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 108) = ( 0.5000000 0.5083800 0.4873711), wk = 0.0034247 k( 109) = ( 0.5000000 0.5167601 0.4747422), wk = 0.0034247 k( 110) = ( 0.5000000 0.5251401 0.4621133), wk = 0.0034247 k( 111) = ( 0.5000000 0.5335201 0.4494844), wk = 0.0034247 k( 112) = ( 0.5000000 0.5419002 0.4368555), wk = 0.0034247 k( 113) = ( 0.5000000 0.5502802 0.4242266), wk = 0.0034247 k( 114) = ( 0.5000000 0.5586603 0.4115977), wk = 0.0034247 k( 115) = ( 0.5000000 0.5670403 0.3989688), wk = 0.0034247 k( 116) = ( 0.5000000 0.5754203 0.3863399), wk = 0.0034247 k( 117) = ( 0.5000000 0.5838004 0.3737110), wk = 0.0034247 k( 118) = ( 0.5000000 0.5921804 0.3610821), wk = 0.0034247 k( 119) = ( 0.5000000 0.5921804 0.3610821), wk = 0.0034247 k( 120) = ( 0.5000000 0.5870593 0.3410219), wk = 0.0034247 k( 121) = ( 0.5000000 0.5819381 0.3209618), wk = 0.0034247 k( 122) = ( 0.5000000 0.5768170 0.3009017), wk = 0.0034247 k( 123) = ( 0.5000000 0.5716959 0.2808416), wk = 0.0034247 k( 124) = ( 0.5000000 0.5665747 0.2607815), wk = 0.0034247 k( 125) = ( 0.5000000 0.5614536 0.2407214), wk = 0.0034247 k( 126) = ( 0.5000000 0.5563325 0.2206613), wk = 0.0034247 k( 127) = ( 0.5000000 0.5512113 0.2006011), wk = 0.0034247 k( 128) = ( 0.5000000 0.5460902 0.1805410), wk = 0.0034247 k( 129) = ( 0.5000000 0.5409691 0.1604809), wk = 0.0034247 k( 130) = ( 0.5000000 0.5358479 0.1404208), wk = 0.0034247 k( 131) = ( 0.5000000 0.5307268 0.1203607), wk = 0.0034247 k( 132) = ( 0.5000000 0.5256057 0.1003006), wk = 0.0034247 k( 133) = ( 0.5000000 0.5204845 0.0802405), wk = 0.0034247 k( 134) = ( 0.5000000 0.5153634 0.0601803), wk = 0.0034247 k( 135) = ( 0.5000000 0.5102423 0.0401202), wk = 0.0034247 k( 136) = ( 0.5000000 0.5051211 0.0200601), wk = 0.0034247 k( 137) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 138) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034247 k( 139) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0034247 k( 140) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0034247 k( 141) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0034247 k( 142) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0034247 k( 143) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0034247 k( 144) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0034247 k( 145) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0034247 k( 146) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0034247 k( 147) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0034247 k( 148) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0034247 k( 149) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0034247 k( 150) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0034247 k( 151) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0034247 k( 152) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0034247 k( 153) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0034247 k( 154) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0034247 k( 155) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0034247 k( 156) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0034247 k( 157) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0034247 k( 158) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0034247 k( 159) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0034247 k( 160) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0034247 k( 161) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0034247 k( 162) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0034247 k( 163) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0034247 k( 164) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0034247 k( 165) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0034247 k( 166) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0034247 k( 167) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0034247 k( 168) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0034247 k( 169) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0034247 k( 170) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0034247 k( 171) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0034247 k( 172) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0034247 k( 173) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0034247 k( 174) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0034247 k( 175) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0034247 k( 176) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0034247 k( 177) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0034247 k( 178) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0034247 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 181) = ( 0.0000000 0.5051211 0.0200601), wk = 0.0034247 k( 182) = ( 0.0000000 0.5102423 0.0401202), wk = 0.0034247 k( 183) = ( 0.0000000 0.5153634 0.0601803), wk = 0.0034247 k( 184) = ( 0.0000000 0.5204845 0.0802405), wk = 0.0034247 k( 185) = ( 0.0000000 0.5256057 0.1003006), wk = 0.0034247 k( 186) = ( 0.0000000 0.5307268 0.1203607), wk = 0.0034247 k( 187) = ( 0.0000000 0.5358479 0.1404208), wk = 0.0034247 k( 188) = ( 0.0000000 0.5409691 0.1604809), wk = 0.0034247 k( 189) = ( 0.0000000 0.5460902 0.1805410), wk = 0.0034247 k( 190) = ( 0.0000000 0.5512113 0.2006011), wk = 0.0034247 k( 191) = ( 0.0000000 0.5563325 0.2206613), wk = 0.0034247 k( 192) = ( 0.0000000 0.5614536 0.2407214), wk = 0.0034247 k( 193) = ( 0.0000000 0.5665747 0.2607815), wk = 0.0034247 k( 194) = ( 0.0000000 0.5716959 0.2808416), wk = 0.0034247 k( 195) = ( 0.0000000 0.5768170 0.3009017), wk = 0.0034247 k( 196) = ( 0.0000000 0.5819381 0.3209618), wk = 0.0034247 k( 197) = ( 0.0000000 0.5870593 0.3410219), wk = 0.0034247 k( 198) = ( 0.0000000 0.5921804 0.3610821), wk = 0.0034247 k( 199) = ( 0.5000000 0.4078196 0.6389179), wk = 0.0034247 k( 200) = ( 0.5000000 0.3908271 0.6331297), wk = 0.0034247 k( 201) = ( 0.5000000 0.3738346 0.6273414), wk = 0.0034247 k( 202) = ( 0.5000000 0.3568421 0.6215532), wk = 0.0034247 k( 203) = ( 0.5000000 0.3398497 0.6157649), wk = 0.0034247 k( 204) = ( 0.5000000 0.3228572 0.6099767), wk = 0.0034247 k( 205) = ( 0.5000000 0.3058647 0.6041884), wk = 0.0034247 k( 206) = ( 0.5000000 0.2888722 0.5984002), wk = 0.0034247 k( 207) = ( 0.5000000 0.2718797 0.5926120), wk = 0.0034247 k( 208) = ( 0.5000000 0.2548872 0.5868237), wk = 0.0034247 k( 209) = ( 0.5000000 0.2378948 0.5810355), wk = 0.0034247 k( 210) = ( 0.5000000 0.2209023 0.5752472), wk = 0.0034247 k( 211) = ( 0.5000000 0.2039098 0.5694590), wk = 0.0034247 k( 212) = ( 0.5000000 0.1869173 0.5636707), wk = 0.0034247 k( 213) = ( 0.5000000 0.1699248 0.5578825), wk = 0.0034247 k( 214) = ( 0.5000000 0.1529323 0.5520942), wk = 0.0034247 k( 215) = ( 0.5000000 0.1359399 0.5463060), wk = 0.0034247 k( 216) = ( 0.5000000 0.1189474 0.5405177), wk = 0.0034247 k( 217) = ( 0.5000000 0.1019549 0.5347295), wk = 0.0034247 k( 218) = ( 0.5000000 0.0849624 0.5289412), wk = 0.0034247 k( 219) = ( 0.5000000 0.0679699 0.5231530), wk = 0.0034247 k( 220) = ( 0.5000000 0.0509774 0.5173647), wk = 0.0034247 k( 221) = ( 0.5000000 0.0339850 0.5115765), wk = 0.0034247 k( 222) = ( 0.5000000 0.0169925 0.5057882), wk = 0.0034247 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 224) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 225) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0034247 k( 226) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0034247 k( 227) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0034247 k( 228) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0034247 k( 229) = ( 0.5000000 0.0000000 0.4038461), wk = 0.0034247 k( 230) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0034247 k( 231) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0034247 k( 232) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0034247 k( 233) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0034247 k( 234) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0034247 k( 235) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0034247 k( 236) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0034247 k( 237) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034247 k( 238) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0034247 k( 239) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0034247 k( 240) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0034247 k( 241) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0034247 k( 242) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0034247 k( 243) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0034247 k( 244) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0034247 k( 245) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0034247 k( 246) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0034247 k( 247) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0034247 k( 248) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0034247 k( 249) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0034247 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 252) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0034247 k( 253) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0034247 k( 254) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0034247 k( 255) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0034247 k( 256) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0034247 k( 257) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0034247 k( 258) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0034247 k( 259) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0034247 k( 260) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0034247 k( 261) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0034247 k( 262) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0034247 k( 263) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0034247 k( 264) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0034247 k( 265) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0034247 k( 266) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0034247 k( 267) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0034247 k( 268) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0034247 k( 269) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0034247 k( 270) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0034247 k( 271) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0034247 k( 272) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0034247 k( 273) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0034247 k( 274) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0034247 k( 275) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0034247 k( 276) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0034247 k( 277) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0034247 k( 278) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0034247 k( 279) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0034247 k( 280) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0034247 k( 281) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0034247 k( 282) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0034247 k( 283) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0034247 k( 284) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0034247 k( 285) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0034247 k( 286) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0034247 k( 287) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0034247 k( 288) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0034247 k( 289) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0034247 k( 290) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0034247 k( 291) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0034247 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 Dense grid: 190233 G-vectors FFT dimensions: ( 60, 80, 96) Smooth grid: 54185 G-vectors FFT dimensions: ( 36, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 374, 76) NL pseudopotentials 0.58 Mb ( 187, 204) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5284) G-vector shells 0.04 Mb ( 5107) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.73 Mb ( 374, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.47 Mb ( 204, 2, 76) The potential is recalculated from file : ./PdCl2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.8 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.3 secs Computing kpt #: 13 total cpu time spent up to now is 13.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.8 secs Computing kpt #: 15 total cpu time spent up to now is 14.6 secs Computing kpt #: 16 total cpu time spent up to now is 15.4 secs Computing kpt #: 17 total cpu time spent up to now is 16.2 secs Computing kpt #: 18 total cpu time spent up to now is 17.0 secs Computing kpt #: 19 total cpu time spent up to now is 17.8 secs Computing kpt #: 20 total cpu time spent up to now is 18.6 secs Computing kpt #: 21 total cpu time spent up to now is 19.3 secs Computing kpt #: 22 total cpu time spent up to now is 20.1 secs Computing kpt #: 23 total cpu time spent up to now is 20.8 secs Computing kpt #: 24 total cpu time spent up to now is 21.5 secs Computing kpt #: 25 total cpu time spent up to now is 22.2 secs Computing kpt #: 26 total cpu time spent up to now is 22.9 secs Computing kpt #: 27 total cpu time spent up to now is 23.6 secs Computing kpt #: 28 total cpu time spent up to now is 24.3 secs Computing kpt #: 29 total cpu time spent up to now is 25.0 secs Computing kpt #: 30 total cpu time spent up to now is 25.7 secs Computing kpt #: 31 total cpu time spent up to now is 26.5 secs Computing kpt #: 32 total cpu time spent up to now is 27.4 secs Computing kpt #: 33 total cpu time spent up to now is 28.2 secs Computing kpt #: 34 total cpu time spent up to now is 28.9 secs Computing kpt #: 35 total cpu time spent up to now is 29.6 secs Computing kpt #: 36 total cpu time spent up to now is 30.3 secs Computing kpt #: 37 total cpu time spent up to now is 31.0 secs Computing kpt #: 38 total cpu time spent up to now is 31.8 secs Computing kpt #: 39 total cpu time spent up to now is 32.5 secs Computing kpt #: 40 total cpu time spent up to now is 33.2 secs Computing kpt #: 41 total cpu time spent up to now is 33.9 secs Computing kpt #: 42 total cpu time spent up to now is 34.7 secs Computing kpt #: 43 total cpu time spent up to now is 35.4 secs Computing kpt #: 44 total cpu time spent up to now is 36.2 secs Computing kpt #: 45 total cpu time spent up to now is 36.9 secs Computing kpt #: 46 total cpu time spent up to now is 37.7 secs Computing kpt #: 47 total cpu time spent up to now is 38.5 secs Computing kpt #: 48 total cpu time spent up to now is 39.2 secs Computing kpt #: 49 total cpu time spent up to now is 40.0 secs Computing kpt #: 50 total cpu time spent up to now is 40.7 secs Computing kpt #: 51 total cpu time spent up to now is 41.4 secs Computing kpt #: 52 total cpu time spent up to now is 42.2 secs Computing kpt #: 53 total cpu time spent up to now is 42.9 secs Computing kpt #: 54 total cpu time spent up to now is 43.6 secs Computing kpt #: 55 total cpu time spent up to now is 44.3 secs Computing kpt #: 56 total cpu time spent up to now is 45.1 secs Computing kpt #: 57 total cpu time spent up to now is 45.8 secs Computing kpt #: 58 total cpu time spent up to now is 46.5 secs Computing kpt #: 59 total cpu time spent up to now is 47.2 secs Computing kpt #: 60 total cpu time spent up to now is 47.9 secs Computing kpt #: 61 total cpu time spent up to now is 48.6 secs Computing kpt #: 62 total cpu time spent up to now is 49.3 secs Computing kpt #: 63 total cpu time spent up to now is 50.0 secs Computing kpt #: 64 total cpu time spent up to now is 50.7 secs Computing kpt #: 65 total cpu time spent up to now is 51.4 secs Computing kpt #: 66 total cpu time spent up to now is 52.1 secs Computing kpt #: 67 total cpu time spent up to now is 52.8 secs Computing kpt #: 68 total cpu time spent up to now is 53.5 secs Computing kpt #: 69 total cpu time spent up to now is 54.2 secs Computing kpt #: 70 total cpu time spent up to now is 54.9 secs Computing kpt #: 71 total cpu time spent up to now is 55.6 secs Computing kpt #: 72 total cpu time spent up to now is 56.4 secs Computing kpt #: 73 total cpu time spent up to now is 57.1 secs Computing kpt #: 74 total cpu time spent up to now is 57.8 secs Computing kpt #: 75 total cpu time spent up to now is 58.5 secs Computing kpt #: 76 total cpu time spent up to now is 59.2 secs Computing kpt #: 77 total cpu time spent up to now is 60.0 secs Computing kpt #: 78 total cpu time spent up to now is 60.7 secs Computing kpt #: 79 total cpu time spent up to now is 61.4 secs Computing kpt #: 80 total cpu time spent up to now is 62.1 secs Computing kpt #: 81 total cpu time spent up to now is 62.8 secs Computing kpt #: 82 total cpu time spent up to now is 63.5 secs Computing kpt #: 83 total cpu time spent up to now is 64.3 secs Computing kpt #: 84 total cpu time spent up to now is 65.0 secs Computing kpt #: 85 total cpu time spent up to now is 65.7 secs Computing kpt #: 86 total cpu time spent up to now is 66.4 secs Computing kpt #: 87 total cpu time spent up to now is 67.1 secs Computing kpt #: 88 total cpu time spent up to now is 67.9 secs Computing kpt #: 89 total cpu time spent up to now is 68.6 secs Computing kpt #: 90 total cpu time spent up to now is 69.3 secs Computing kpt #: 91 total cpu time spent up to now is 70.1 secs Computing kpt #: 92 total cpu time spent up to now is 70.8 secs Computing kpt #: 93 total cpu time spent up to now is 71.6 secs Computing kpt #: 94 total cpu time spent up to now is 72.3 secs Computing kpt #: 95 total cpu time spent up to now is 73.0 secs Computing kpt #: 96 total cpu time spent up to now is 73.8 secs Computing kpt #: 97 total cpu time spent up to now is 74.5 secs Computing kpt #: 98 total cpu time spent up to now is 75.2 secs Computing kpt #: 99 total cpu time spent up to now is 76.0 secs Computing kpt #: 100 total cpu time spent up to now is 76.7 secs Computing kpt #: 101 total cpu time spent up to now is 77.4 secs Computing kpt #: 102 total cpu time spent up to now is 78.2 secs Computing kpt #: 103 total cpu time spent up to now is 78.9 secs Computing kpt #: 104 total cpu time spent up to now is 79.6 secs Computing kpt #: 105 total cpu time spent up to now is 80.4 secs Computing kpt #: 106 total cpu time spent up to now is 81.1 secs Computing kpt #: 107 total cpu time spent up to now is 81.8 secs Computing kpt #: 108 total cpu time spent up to now is 82.5 secs Computing kpt #: 109 total cpu time spent up to now is 83.2 secs Computing kpt #: 110 total cpu time spent up to now is 84.0 secs Computing kpt #: 111 total cpu time spent up to now is 84.7 secs Computing kpt #: 112 total cpu time spent up to now is 85.4 secs Computing kpt #: 113 total cpu time spent up to now is 86.1 secs Computing kpt #: 114 total cpu time spent up to now is 86.8 secs Computing kpt #: 115 total cpu time spent up to now is 87.6 secs Computing kpt #: 116 total cpu time spent up to now is 88.3 secs Computing kpt #: 117 total cpu time spent up to now is 89.0 secs Computing kpt #: 118 total cpu time spent up to now is 89.7 secs Computing kpt #: 119 total cpu time spent up to now is 90.4 secs Computing kpt #: 120 total cpu time spent up to now is 91.1 secs Computing kpt #: 121 total cpu time spent up to now is 91.8 secs Computing kpt #: 122 total cpu time spent up to now is 92.5 secs Computing kpt #: 123 total cpu time spent up to now is 93.2 secs Computing kpt #: 124 total cpu time spent up to now is 93.9 secs Computing kpt #: 125 total cpu time spent up to now is 94.6 secs Computing kpt #: 126 total cpu time spent up to now is 95.3 secs Computing kpt #: 127 total cpu time spent up to now is 96.0 secs Computing kpt #: 128 total cpu time spent up to now is 96.7 secs Computing kpt #: 129 total cpu time spent up to now is 97.4 secs Computing kpt #: 130 total cpu time spent up to now is 98.1 secs Computing kpt #: 131 total cpu time spent up to now is 98.8 secs Computing kpt #: 132 total cpu time spent up to now is 99.5 secs Computing kpt #: 133 total cpu time spent up to now is 100.2 secs Computing kpt #: 134 total cpu time spent up to now is 100.9 secs Computing kpt #: 135 total cpu time spent up to now is 101.6 secs Computing kpt #: 136 total cpu time spent up to now is 102.3 secs Computing kpt #: 137 total cpu time spent up to now is 103.0 secs Computing kpt #: 138 total cpu time spent up to now is 103.7 secs Computing kpt #: 139 total cpu time spent up to now is 104.4 secs Computing kpt #: 140 total cpu time spent up to now is 105.1 secs Computing kpt #: 141 total cpu time spent up to now is 105.8 secs Computing kpt #: 142 total cpu time spent up to now is 106.5 secs Computing kpt #: 143 total cpu time spent up to now is 107.2 secs Computing kpt #: 144 total cpu time spent up to now is 107.9 secs Computing kpt #: 145 total cpu time spent up to now is 108.7 secs Computing kpt #: 146 total cpu time spent up to now is 109.4 secs Computing kpt #: 147 total cpu time spent up to now is 110.1 secs Computing kpt #: 148 total cpu time spent up to now is 110.8 secs Computing kpt #: 149 total cpu time spent up to now is 111.5 secs Computing kpt #: 150 total cpu time spent up to now is 112.3 secs Computing kpt #: 151 total cpu time spent up to now is 113.0 secs Computing kpt #: 152 total cpu time spent up to now is 113.7 secs Computing kpt #: 153 total cpu time spent up to now is 114.5 secs Computing kpt #: 154 total cpu time spent up to now is 115.2 secs Computing kpt #: 155 total cpu time spent up to now is 116.0 secs Computing kpt #: 156 total cpu time spent up to now is 116.7 secs Computing kpt #: 157 total cpu time spent up to now is 117.5 secs Computing kpt #: 158 total cpu time spent up to now is 118.2 secs Computing kpt #: 159 total cpu time spent up to now is 119.0 secs Computing kpt #: 160 total cpu time spent up to now is 119.7 secs Computing kpt #: 161 total cpu time spent up to now is 120.4 secs Computing kpt #: 162 total cpu time spent up to now is 121.1 secs Computing kpt #: 163 total cpu time spent up to now is 121.9 secs Computing kpt #: 164 total cpu time spent up to now is 122.6 secs Computing kpt #: 165 total cpu time spent up to now is 123.3 secs Computing kpt #: 166 total cpu time spent up to now is 124.1 secs Computing kpt #: 167 total cpu time spent up to now is 124.8 secs Computing kpt #: 168 total cpu time spent up to now is 125.5 secs Computing kpt #: 169 total cpu time spent up to now is 126.3 secs Computing kpt #: 170 total cpu time spent up to now is 127.0 secs Computing kpt #: 171 total cpu time spent up to now is 127.8 secs Computing kpt #: 172 total cpu time spent up to now is 128.5 secs Computing kpt #: 173 total cpu time spent up to now is 129.3 secs Computing kpt #: 174 total cpu time spent up to now is 130.0 secs Computing kpt #: 175 total cpu time spent up to now is 130.7 secs Computing kpt #: 176 total cpu time spent up to now is 131.5 secs Computing kpt #: 177 total cpu time spent up to now is 132.2 secs Computing kpt #: 178 total cpu time spent up to now is 133.0 secs Computing kpt #: 179 total cpu time spent up to now is 133.8 secs Computing kpt #: 180 total cpu time spent up to now is 134.7 secs Computing kpt #: 181 total cpu time spent up to now is 135.4 secs Computing kpt #: 182 total cpu time spent up to now is 136.2 secs Computing kpt #: 183 total cpu time spent up to now is 136.9 secs Computing kpt #: 184 total cpu time spent up to now is 137.6 secs Computing kpt #: 185 total cpu time spent up to now is 138.4 secs Computing kpt #: 186 total cpu time spent up to now is 139.1 secs Computing kpt #: 187 total cpu time spent up to now is 139.8 secs Computing kpt #: 188 total cpu time spent up to now is 140.5 secs Computing kpt #: 189 total cpu time spent up to now is 141.3 secs Computing kpt #: 190 total cpu time spent up to now is 142.0 secs Computing kpt #: 191 total cpu time spent up to now is 142.8 secs Computing kpt #: 192 total cpu time spent up to now is 143.5 secs Computing kpt #: 193 total cpu time spent up to now is 144.3 secs Computing kpt #: 194 total cpu time spent up to now is 145.0 secs Computing kpt #: 195 total cpu time spent up to now is 145.8 secs Computing kpt #: 196 total cpu time spent up to now is 146.5 secs Computing kpt #: 197 total cpu time spent up to now is 147.3 secs Computing kpt #: 198 total cpu time spent up to now is 148.0 secs Computing kpt #: 199 total cpu time spent up to now is 148.7 secs Computing kpt #: 200 total cpu time spent up to now is 149.4 secs Computing kpt #: 201 total cpu time spent up to now is 150.2 secs Computing kpt #: 202 total cpu time spent up to now is 150.9 secs Computing kpt #: 203 total cpu time spent up to now is 151.6 secs Computing kpt #: 204 total cpu time spent up to now is 152.3 secs Computing kpt #: 205 total cpu time spent up to now is 153.0 secs Computing kpt #: 206 total cpu time spent up to now is 153.7 secs Computing kpt #: 207 total cpu time spent up to now is 154.4 secs Computing kpt #: 208 total cpu time spent up to now is 155.1 secs Computing kpt #: 209 total cpu time spent up to now is 155.8 secs Computing kpt #: 210 total cpu time spent up to now is 156.5 secs Computing kpt #: 211 total cpu time spent up to now is 157.2 secs Computing kpt #: 212 total cpu time spent up to now is 157.9 secs Computing kpt #: 213 total cpu time spent up to now is 158.6 secs Computing kpt #: 214 total cpu time spent up to now is 159.2 secs Computing kpt #: 215 total cpu time spent up to now is 159.9 secs Computing kpt #: 216 total cpu time spent up to now is 160.6 secs Computing kpt #: 217 total cpu time spent up to now is 161.3 secs Computing kpt #: 218 total cpu time spent up to now is 162.0 secs Computing kpt #: 219 total cpu time spent up to now is 162.7 secs Computing kpt #: 220 total cpu time spent up to now is 163.4 secs Computing kpt #: 221 total cpu time spent up to now is 164.1 secs Computing kpt #: 222 total cpu time spent up to now is 164.8 secs Computing kpt #: 223 total cpu time spent up to now is 165.5 secs Computing kpt #: 224 total cpu time spent up to now is 166.2 secs Computing kpt #: 225 total cpu time spent up to now is 166.9 secs Computing kpt #: 226 total cpu time spent up to now is 167.5 secs Computing kpt #: 227 total cpu time spent up to now is 168.2 secs Computing kpt #: 228 total cpu time spent up to now is 168.9 secs Computing kpt #: 229 total cpu time spent up to now is 169.7 secs Computing kpt #: 230 total cpu time spent up to now is 170.4 secs Computing kpt #: 231 total cpu time spent up to now is 171.1 secs Computing kpt #: 232 total cpu time spent up to now is 171.8 secs Computing kpt #: 233 total cpu time spent up to now is 172.5 secs Computing kpt #: 234 total cpu time spent up to now is 173.2 secs Computing kpt #: 235 total cpu time spent up to now is 173.9 secs Computing kpt #: 236 total cpu time spent up to now is 174.6 secs Computing kpt #: 237 total cpu time spent up to now is 175.3 secs Computing kpt #: 238 total cpu time spent up to now is 176.0 secs Computing kpt #: 239 total cpu time spent up to now is 176.7 secs Computing kpt #: 240 total cpu time spent up to now is 177.5 secs Computing kpt #: 241 total cpu time spent up to now is 178.2 secs Computing kpt #: 242 total cpu time spent up to now is 178.9 secs Computing kpt #: 243 total cpu time spent up to now is 179.6 secs Computing kpt #: 244 total cpu time spent up to now is 180.3 secs Computing kpt #: 245 total cpu time spent up to now is 181.0 secs Computing kpt #: 246 total cpu time spent up to now is 181.7 secs Computing kpt #: 247 total cpu time spent up to now is 182.4 secs Computing kpt #: 248 total cpu time spent up to now is 183.1 secs Computing kpt #: 249 total cpu time spent up to now is 183.8 secs Computing kpt #: 250 total cpu time spent up to now is 184.5 secs Computing kpt #: 251 total cpu time spent up to now is 185.2 secs Computing kpt #: 252 total cpu time spent up to now is 185.9 secs Computing kpt #: 253 total cpu time spent up to now is 186.6 secs Computing kpt #: 254 total cpu time spent up to now is 187.3 secs Computing kpt #: 255 total cpu time spent up to now is 188.0 secs Computing kpt #: 256 total cpu time spent up to now is 188.7 secs Computing kpt #: 257 total cpu time spent up to now is 189.4 secs Computing kpt #: 258 total cpu time spent up to now is 190.1 secs Computing kpt #: 259 total cpu time spent up to now is 190.8 secs Computing kpt #: 260 total cpu time spent up to now is 191.5 secs Computing kpt #: 261 total cpu time spent up to now is 192.2 secs Computing kpt #: 262 total cpu time spent up to now is 192.9 secs Computing kpt #: 263 total cpu time spent up to now is 193.6 secs Computing kpt #: 264 total cpu time spent up to now is 194.3 secs Computing kpt #: 265 total cpu time spent up to now is 195.1 secs Computing kpt #: 266 total cpu time spent up to now is 195.8 secs Computing kpt #: 267 total cpu time spent up to now is 196.5 secs Computing kpt #: 268 total cpu time spent up to now is 197.2 secs Computing kpt #: 269 total cpu time spent up to now is 198.0 secs Computing kpt #: 270 total cpu time spent up to now is 198.7 secs Computing kpt #: 271 total cpu time spent up to now is 199.4 secs Computing kpt #: 272 total cpu time spent up to now is 200.1 secs Computing kpt #: 273 total cpu time spent up to now is 200.9 secs Computing kpt #: 274 total cpu time spent up to now is 201.6 secs Computing kpt #: 275 total cpu time spent up to now is 202.3 secs Computing kpt #: 276 total cpu time spent up to now is 203.0 secs Computing kpt #: 277 total cpu time spent up to now is 203.7 secs Computing kpt #: 278 total cpu time spent up to now is 204.5 secs Computing kpt #: 279 total cpu time spent up to now is 205.2 secs Computing kpt #: 280 total cpu time spent up to now is 205.9 secs Computing kpt #: 281 total cpu time spent up to now is 206.6 secs Computing kpt #: 282 total cpu time spent up to now is 207.3 secs Computing kpt #: 283 total cpu time spent up to now is 208.0 secs Computing kpt #: 284 total cpu time spent up to now is 208.7 secs Computing kpt #: 285 total cpu time spent up to now is 209.5 secs Computing kpt #: 286 total cpu time spent up to now is 210.2 secs Computing kpt #: 287 total cpu time spent up to now is 210.9 secs Computing kpt #: 288 total cpu time spent up to now is 211.5 secs Computing kpt #: 289 total cpu time spent up to now is 212.2 secs Computing kpt #: 290 total cpu time spent up to now is 213.0 secs Computing kpt #: 291 total cpu time spent up to now is 213.6 secs Computing kpt #: 292 total cpu time spent up to now is 214.3 secs ethr = 1.56E-08, avg # of iterations = 15.3 total cpu time spent up to now is 214.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6767 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2921 -42.2921 -41.6036 -41.6036 -41.6018 -41.6018 -9.5552 -9.5552 -8.6244 -8.6244 -8.5867 -8.5867 -8.5322 -8.5322 0.0842 0.0842 0.7076 0.7076 0.7870 0.7870 1.7184 1.7184 1.8939 1.8939 1.9979 1.9979 2.9275 2.9275 3.5769 3.5769 3.9392 3.9392 4.1675 4.1675 4.2480 4.2480 4.3112 4.3112 4.3956 4.3956 4.5141 4.5141 4.6399 4.6399 4.6411 4.6411 5.3670 5.3670 5.5248 5.5248 5.7196 5.7196 6.0691 6.0691 7.5518 7.5518 8.2226 8.2226 10.8838 10.8838 11.2956 11.2956 12.8097 12.8097 13.7275 13.7275 k = 0.0000 0.0000 0.0121 ( 6763 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2921 -42.2921 -41.6036 -41.6036 -41.6018 -41.6018 -9.5545 -9.5545 -8.6262 -8.6262 -8.5860 -8.5860 -8.5322 -8.5322 0.0868 0.0868 0.7081 0.7081 0.7882 0.7882 1.7097 1.7097 1.8964 1.8964 2.0063 2.0063 2.9238 2.9238 3.5710 3.5710 3.9336 3.9336 4.1651 4.1651 4.2392 4.2392 4.3203 4.3203 4.3963 4.3963 4.5173 4.5173 4.6353 4.6353 4.6536 4.6536 5.3668 5.3668 5.5244 5.5244 5.7191 5.7191 6.0686 6.0686 7.5514 7.5514 8.2198 8.2198 10.8877 10.8877 11.2985 11.2985 12.8114 12.8114 13.7279 13.7279 k = 0.0000 0.0000 0.0242 ( 6763 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6018 -41.6018 -9.5524 -9.5524 -8.6310 -8.6310 -8.5840 -8.5840 -8.5323 -8.5323 0.0947 0.0947 0.7095 0.7095 0.7916 0.7916 1.6869 1.6869 1.9020 1.9020 2.0300 2.0300 2.9126 2.9126 3.5536 3.5536 3.9170 3.9170 4.1578 4.1578 4.2209 4.2209 4.3392 4.3392 4.3989 4.3989 4.5267 4.5267 4.6383 4.6383 4.6736 4.6736 5.3661 5.3661 5.5232 5.5232 5.7176 5.7176 6.0672 6.0672 7.5503 7.5503 8.2112 8.2112 10.8996 10.8996 11.3073 11.3073 12.8163 12.8163 13.7288 13.7288 k = 0.0000 0.0000 0.0364 ( 6761 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.5489 -9.5489 -8.6383 -8.6383 -8.5815 -8.5815 -8.5325 -8.5325 0.1079 0.1079 0.7119 0.7119 0.7975 0.7975 1.6556 1.6556 1.9091 1.9091 2.0649 2.0649 2.8945 2.8945 3.5258 3.5258 3.8898 3.8898 4.1452 4.1452 4.2009 4.2009 4.3598 4.3598 4.4044 4.4044 4.5419 4.5419 4.6488 4.6488 4.6994 4.6994 5.3651 5.3651 5.5213 5.5213 5.7153 5.7153 6.0648 6.0648 7.5484 7.5484 8.1972 8.1972 10.9192 10.9192 11.3219 11.3219 12.8244 12.8244 13.7301 13.7301 k = 0.0000 0.0000 0.0485 ( 6766 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.5440 -9.5440 -8.6477 -8.6477 -8.5789 -8.5789 -8.5327 -8.5327 0.1262 0.1262 0.7151 0.7151 0.8058 0.8058 1.6202 1.6202 1.9171 1.9171 2.1072 2.1072 2.8697 2.8697 3.4888 3.4888 3.8533 3.8533 4.1275 4.1275 4.1813 4.1813 4.3782 4.3782 4.4149 4.4149 4.5621 4.5621 4.6660 4.6660 4.7296 4.7296 5.3636 5.3636 5.5185 5.5185 5.7120 5.7120 6.0615 6.0615 7.5457 7.5457 8.1780 8.1780 10.9465 10.9465 11.3421 11.3421 12.8356 12.8356 13.7318 13.7318 k = 0.0000 0.0000 0.0606 ( 6765 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2973 -42.2973 -42.2923 -42.2923 -41.6035 -41.6035 -41.6019 -41.6019 -9.5377 -9.5377 -8.6587 -8.6587 -8.5763 -8.5763 -8.5330 -8.5330 0.1497 0.1497 0.7191 0.7191 0.8165 0.8165 1.5828 1.5828 1.9263 1.9263 2.1544 2.1544 2.8391 2.8391 3.4439 3.4439 3.8088 3.8088 4.1055 4.1055 4.1622 4.1622 4.3916 4.3916 4.4323 4.4323 4.5863 4.5863 4.6887 4.6887 4.7631 4.7631 5.3617 5.3617 5.5150 5.5150 5.7080 5.7080 6.0572 6.0572 7.5424 7.5424 8.1539 8.1539 10.9811 10.9811 11.3678 11.3678 12.8497 12.8497 13.7334 13.7334 k = 0.0000 0.0000 0.0727 ( 6770 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4773 -46.4773 -42.2973 -42.2973 -42.2923 -42.2923 -41.6035 -41.6035 -41.6019 -41.6019 -9.5300 -9.5300 -8.6714 -8.6714 -8.5740 -8.5740 -8.5334 -8.5334 0.1783 0.1783 0.7238 0.7238 0.8298 0.8298 1.5449 1.5449 1.9369 1.9369 2.2048 2.2048 2.8032 2.8032 3.3922 3.3922 3.7578 3.7578 4.0803 4.0803 4.1434 4.1434 4.4003 4.4003 4.4557 4.4557 4.6134 4.6134 4.7157 4.7157 4.7991 4.7991 5.3595 5.3595 5.5108 5.5108 5.7032 5.7032 6.0519 6.0519 7.5383 7.5383 8.1256 8.1256 11.0228 11.0228 11.3987 11.3987 12.8665 12.8665 13.7346 13.7346 k = 0.0000 0.0000 0.0848 ( 6768 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4800 -46.4800 -46.4773 -46.4773 -42.2972 -42.2972 -42.2924 -42.2924 -41.6035 -41.6035 -41.6019 -41.6019 -9.5211 -9.5211 -8.6856 -8.6856 -8.5718 -8.5718 -8.5338 -8.5338 0.2119 0.2119 0.7291 0.7291 0.8457 0.8457 1.5070 1.5070 1.9489 1.9489 2.2573 2.2573 2.7631 2.7631 3.3346 3.3346 3.7018 3.7018 4.0531 4.0531 4.1245 4.1245 4.4058 4.4058 4.4826 4.4826 4.6425 4.6425 4.7460 4.7460 4.8369 4.8369 5.3571 5.3571 5.5058 5.5058 5.6979 5.6979 6.0457 6.0457 7.5337 7.5337 8.0934 8.0934 11.0712 11.0712 11.4346 11.4346 12.8857 12.8857 13.7350 13.7350 k = 0.0000 0.0000 0.0970 ( 6760 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4800 -46.4800 -46.4773 -46.4773 -42.2971 -42.2971 -42.2924 -42.2924 -41.6035 -41.6035 -41.6019 -41.6019 -9.5107 -9.5107 -8.7013 -8.7013 -8.5699 -8.5699 -8.5343 -8.5343 0.2504 0.2504 0.7352 0.7352 0.8640 0.8640 1.4696 1.4696 1.9623 1.9623 2.3110 2.3110 2.7196 2.7196 3.2717 3.2717 3.6420 3.6420 4.0245 4.0245 4.1059 4.1059 4.4084 4.4084 4.5115 4.5115 4.6728 4.6728 4.7786 4.7786 4.8758 4.8758 5.3546 5.3546 5.5002 5.5002 5.6921 5.6921 6.0384 6.0384 7.5285 7.5285 8.0580 8.0580 11.1260 11.1260 11.4753 11.4753 12.9069 12.9069 13.7342 13.7342 k = 0.0000 0.0000 0.1091 ( 6762 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4799 -46.4799 -46.4774 -46.4774 -42.2971 -42.2971 -42.2925 -42.2925 -41.6035 -41.6035 -41.6020 -41.6020 -9.4991 -9.4991 -8.7183 -8.7183 -8.5681 -8.5681 -8.5348 -8.5348 0.2937 0.2937 0.7418 0.7418 0.8850 0.8850 1.4328 1.4328 1.9770 1.9770 2.3649 2.3649 2.6743 2.6743 3.2040 3.2040 3.5797 3.5797 3.9949 3.9949 4.0878 4.0878 4.4080 4.4080 4.5418 4.5418 4.7039 4.7039 4.8128 4.8128 4.9152 4.9152 5.3522 5.3522 5.4938 5.4938 5.6859 5.6859 6.0301 6.0301 7.5228 7.5228 8.0200 8.0200 11.1867 11.1867 11.5206 11.5206 12.9295 12.9295 13.7314 13.7314 k = 0.0000 0.0000 0.1212 ( 6768 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4799 -46.4799 -46.4774 -46.4774 -42.2970 -42.2970 -42.2926 -42.2926 -41.6034 -41.6034 -41.6020 -41.6020 -9.4862 -9.4862 -8.7367 -8.7367 -8.5665 -8.5665 -8.5354 -8.5354 0.3416 0.3416 0.7491 0.7491 0.9084 0.9084 1.3970 1.3970 1.9930 1.9930 2.4165 2.4165 2.6300 2.6300 3.1317 3.1317 3.5156 3.5156 3.9646 3.9646 4.0706 4.0706 4.4047 4.4047 4.5727 4.5727 4.7352 4.7352 4.8477 4.8477 4.9548 4.9548 5.3501 5.3501 5.4868 5.4868 5.6793 5.6793 6.0207 6.0207 7.5166 7.5166 7.9800 7.9800 11.2527 11.2527 11.5702 11.5702 12.9529 12.9529 13.7262 13.7262 k = 0.0000 0.0000 0.1333 ( 6775 PWs) bands (ev): -77.6133 -77.6133 -77.6130 -77.6130 -46.4798 -46.4798 -46.4775 -46.4775 -42.2969 -42.2969 -42.2927 -42.2927 -41.6034 -41.6034 -41.6020 -41.6020 -9.4720 -9.4720 -8.7564 -8.7564 -8.5650 -8.5650 -8.5361 -8.5361 0.3940 0.3940 0.7570 0.7570 0.9343 0.9343 1.3621 1.3621 2.0098 2.0098 2.4576 2.4576 2.5956 2.5956 3.0552 3.0552 3.4507 3.4507 3.9338 3.9338 4.0545 4.0545 4.3981 4.3981 4.6038 4.6038 4.7666 4.7666 4.8829 4.8829 4.9940 4.9940 5.3489 5.3489 5.4792 5.4792 5.6725 5.6725 6.0102 6.0102 7.5101 7.5101 7.9387 7.9387 11.3235 11.3235 11.6240 11.6240 12.9761 12.9761 13.7177 13.7177 k = 0.0000 0.0000 0.1455 ( 6771 PWs) bands (ev): -77.6133 -77.6133 -77.6130 -77.6130 -46.4798 -46.4798 -46.4776 -46.4776 -42.2968 -42.2968 -42.2928 -42.2928 -41.6034 -41.6034 -41.6021 -41.6021 -9.4567 -9.4567 -8.7772 -8.7772 -8.5637 -8.5637 -8.5367 -8.5367 0.4508 0.4508 0.7656 0.7656 0.9627 0.9627 1.3283 1.3283 2.0271 2.0271 2.4633 2.4633 2.5966 2.5966 2.9747 2.9747 3.3857 3.3857 3.9027 3.9027 4.0398 4.0398 4.3884 4.3884 4.6349 4.6349 4.7978 4.7978 4.9177 4.9177 5.0321 5.0321 5.3490 5.3490 5.4711 5.4711 5.6656 5.6656 5.9986 5.9986 7.5033 7.5033 7.8966 7.8966 11.3987 11.3987 11.6817 11.6817 12.9982 12.9982 13.7052 13.7052 k = 0.0000 0.0000 0.1576 ( 6771 PWs) bands (ev): -77.6133 -77.6133 -77.6130 -77.6130 -46.4797 -46.4797 -46.4776 -46.4776 -42.2967 -42.2967 -42.2929 -42.2929 -41.6033 -41.6033 -41.6021 -41.6021 -9.4401 -9.4401 -8.7992 -8.7992 -8.5624 -8.5624 -8.5374 -8.5374 0.5117 0.5117 0.7749 0.7749 0.9934 0.9934 1.2955 1.2955 2.0438 2.0438 2.4311 2.4311 2.6366 2.6366 2.8904 2.8904 3.3212 3.3212 3.8713 3.8713 4.0266 4.0266 4.3755 4.3755 4.6654 4.6654 4.8285 4.8285 4.9515 4.9515 5.0685 5.0685 5.3512 5.3512 5.4624 5.4624 5.6583 5.6583 5.9858 5.9858 7.4965 7.4965 7.8544 7.8544 11.4776 11.4776 11.7433 11.7433 13.0177 13.0177 13.6874 13.6874 k = 0.0000 0.0000 0.1697 ( 6768 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4797 -46.4797 -46.4777 -46.4777 -42.2965 -42.2965 -42.2930 -42.2930 -41.6033 -41.6033 -41.6021 -41.6021 -9.4224 -9.4224 -8.8222 -8.8222 -8.5612 -8.5612 -8.5382 -8.5382 0.5767 0.5767 0.7849 0.7849 1.0265 1.0265 1.2639 1.2639 2.0585 2.0585 2.3882 2.3882 2.6898 2.6898 2.8027 2.8027 3.2576 3.2576 3.8395 3.8395 4.0152 4.0152 4.3595 4.3595 4.6951 4.6951 4.8586 4.8586 4.9836 4.9836 5.1025 5.1025 5.3565 5.3565 5.4533 5.4533 5.6509 5.6509 5.9719 5.9719 7.4896 7.4896 7.8126 7.8126 11.5597 11.5597 11.8084 11.8084 13.0334 13.0334 13.6631 13.6631 k = 0.0000 0.0000 0.1818 ( 6766 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4796 -46.4796 -46.4777 -46.4777 -42.2964 -42.2964 -42.2932 -42.2932 -41.6033 -41.6033 -41.6022 -41.6022 -9.4036 -9.4036 -8.8461 -8.8461 -8.5601 -8.5601 -8.5390 -8.5390 0.6454 0.6454 0.7956 0.7956 1.0618 1.0618 1.2334 1.2334 2.0680 2.0680 2.3474 2.3474 2.7115 2.7115 2.7472 2.7472 3.1957 3.1957 3.8075 3.8075 4.0057 4.0057 4.3406 4.3406 4.7240 4.7240 4.8878 4.8878 5.0133 5.0133 5.1337 5.1337 5.3655 5.3655 5.4439 5.4439 5.6433 5.6433 5.9567 5.9567 7.4829 7.4829 7.7717 7.7717 11.6443 11.6443 11.8771 11.8771 13.0436 13.0436 13.6309 13.6309 k = 0.0000 0.0000 0.1939 ( 6767 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4795 -46.4795 -46.4778 -46.4778 -42.2963 -42.2963 -42.2933 -42.2933 -41.6032 -41.6032 -41.6022 -41.6022 -9.3838 -9.3838 -8.8708 -8.8708 -8.5590 -8.5590 -8.5398 -8.5398 0.7175 0.7175 0.8073 0.8073 1.0993 1.0993 1.2041 1.2041 2.0675 2.0675 2.3161 2.3161 2.6184 2.6184 2.8043 2.8043 3.1361 3.1361 3.7750 3.7750 3.9983 3.9983 4.3190 4.3190 4.7518 4.7518 4.9157 4.9157 5.0399 5.0399 5.1619 5.1619 5.3789 5.3789 5.4344 5.4344 5.6355 5.6355 5.9403 5.9403 7.4766 7.4766 7.7322 7.7322 11.7310 11.7310 11.9490 11.9490 13.0467 13.0467 13.5895 13.5895 k = 0.0000 0.0000 0.2061 ( 6771 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4794 -46.4794 -46.4779 -46.4779 -42.2962 -42.2962 -42.2934 -42.2934 -41.6032 -41.6032 -41.6023 -41.6023 -9.3629 -9.3629 -8.8962 -8.8962 -8.5579 -8.5579 -8.5406 -8.5406 0.7909 0.7909 0.8215 0.8215 1.1386 1.1386 1.1764 1.1764 2.0515 2.0515 2.3006 2.3006 2.5231 2.5231 2.8591 2.8591 3.0809 3.0809 3.7421 3.7421 3.9931 3.9931 4.2953 4.2953 4.7785 4.7785 4.9417 4.9417 5.0628 5.0628 5.1874 5.1874 5.3957 5.3957 5.4257 5.4257 5.6276 5.6276 5.9226 5.9226 7.4708 7.4708 7.6945 7.6945 11.8192 11.8192 12.0241 12.0241 13.0416 13.0416 13.5380 13.5380 k = 0.0000 0.0000 0.2182 ( 6764 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4794 -46.4794 -46.4780 -46.4780 -42.2960 -42.2960 -42.2936 -42.2936 -41.6031 -41.6031 -41.6023 -41.6023 -9.3411 -9.3411 -8.9223 -8.9223 -8.5569 -8.5569 -8.5415 -8.5415 0.8288 0.8288 0.8750 0.8750 1.1484 1.1484 1.1818 1.1818 2.0192 2.0192 2.3012 2.3012 2.4274 2.4274 2.9031 2.9031 3.0379 3.0379 3.7085 3.7085 3.9902 3.9902 4.2696 4.2696 4.8040 4.8040 4.9647 4.9647 5.0822 5.0822 5.2111 5.2111 5.4069 5.4069 5.4264 5.4264 5.6199 5.6199 5.9036 5.9036 7.4657 7.4657 7.6590 7.6590 11.9084 11.9084 12.1022 12.1022 13.0272 13.0272 13.4767 13.4767 k = 0.0000 0.0000 0.2303 ( 6758 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4781 -46.4781 -42.2959 -42.2959 -42.2937 -42.2937 -41.6031 -41.6031 -41.6024 -41.6024 -9.3184 -9.3184 -8.9489 -8.9489 -8.5558 -8.5558 -8.5424 -8.5424 0.8434 0.8434 0.9543 0.9543 1.1246 1.1246 1.2250 1.2250 1.9751 1.9751 2.2986 2.2986 2.3469 2.3469 2.9084 2.9084 3.0349 3.0349 3.6740 3.6740 3.9897 3.9897 4.2426 4.2426 4.8283 4.8283 4.9836 4.9836 5.0991 5.0991 5.2329 5.2329 5.4017 5.4017 5.4461 5.4461 5.6129 5.6129 5.8833 5.8833 7.4615 7.4615 7.6261 7.6261 11.9980 11.9980 12.1829 12.1829 13.0031 13.0031 13.4066 13.4066 k = 0.0000 0.0000 0.2424 ( 6766 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4792 -46.4792 -46.4781 -46.4781 -42.2957 -42.2957 -42.2938 -42.2938 -41.6030 -41.6030 -41.6024 -41.6024 -9.2949 -9.2949 -8.9758 -8.9758 -8.5548 -8.5548 -8.5433 -8.5433 0.8578 0.8578 1.0304 1.0304 1.1082 1.1082 1.2705 1.2705 1.9242 1.9242 2.2182 2.2182 2.3518 2.3518 2.8715 2.8715 3.0747 3.0747 3.6384 3.6384 3.9918 3.9918 4.2148 4.2148 4.8515 4.8515 4.9968 4.9968 5.1154 5.1154 5.2520 5.2520 5.3953 5.3953 5.4682 5.4682 5.6079 5.6079 5.8618 5.8618 7.4585 7.4585 7.5958 7.5958 12.0877 12.0877 12.2662 12.2662 12.9694 12.9694 13.3292 13.3292 k = 0.0000 0.0000 0.2545 ( 6768 PWs) bands (ev): -77.6132 -77.6132 -77.6131 -77.6131 -46.4791 -46.4791 -46.4782 -46.4782 -42.2956 -42.2956 -42.2940 -42.2940 -41.6030 -41.6030 -41.6025 -41.6025 -9.2706 -9.2706 -9.0031 -9.0031 -8.5538 -8.5538 -8.5442 -8.5442 0.8728 0.8728 1.0568 1.0568 1.1453 1.1453 1.3178 1.3178 1.8698 1.8698 2.1195 2.1195 2.3803 2.3803 2.8230 2.8230 3.1267 3.1267 3.6014 3.6014 3.9965 3.9965 4.1867 4.1867 4.8736 4.8736 5.0035 5.0035 5.1328 5.1328 5.2662 5.2662 5.3925 5.3925 5.4862 5.4862 5.6077 5.6077 5.8389 5.8389 7.4569 7.4569 7.5686 7.5686 12.1771 12.1771 12.3515 12.3515 12.9264 12.9264 13.2465 13.2465 k = 0.0000 0.0000 0.2667 ( 6766 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4783 -46.4783 -42.2954 -42.2954 -42.2942 -42.2942 -41.6029 -41.6029 -41.6025 -41.6025 -9.2457 -9.2457 -9.0306 -9.0306 -8.5529 -8.5529 -8.5451 -8.5451 0.8886 0.8886 1.0404 1.0404 1.2284 1.2284 1.3667 1.3667 1.8138 1.8138 2.0191 2.0191 2.4143 2.4143 2.7725 2.7725 3.1810 3.1810 3.5628 3.5628 4.0040 4.0040 4.1590 4.1590 4.8945 4.8945 5.0041 5.0041 5.1518 5.1518 5.2729 5.2729 5.3959 5.3959 5.4956 5.4956 5.6155 5.6155 5.8149 5.8149 7.4570 7.4570 7.5444 7.5444 12.2656 12.2656 12.4386 12.4386 12.8750 12.8750 13.1600 13.1600 k = 0.0000 0.0000 0.2788 ( 6760 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4784 -46.4784 -42.2953 -42.2953 -42.2943 -42.2943 -41.6029 -41.6029 -41.6026 -41.6026 -9.2201 -9.2201 -9.0582 -9.0582 -8.5519 -8.5519 -8.5461 -8.5461 0.9050 0.9050 1.0197 1.0197 1.3185 1.3185 1.4169 1.4169 1.7577 1.7577 1.9188 1.9188 2.4517 2.4517 2.7222 2.7222 3.2351 3.2351 3.5223 3.5223 4.0143 4.0143 4.1322 4.1322 4.9143 4.9143 4.9995 4.9995 5.1718 5.1718 5.2708 5.2708 5.4061 5.4061 5.4949 5.4949 5.6322 5.6322 5.7897 5.7897 7.4589 7.4589 7.5233 7.5233 12.3530 12.3530 12.5272 12.5272 12.8159 12.8159 13.0710 13.0710 k = 0.0000 0.0000 0.2909 ( 6757 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4785 -46.4785 -42.2951 -42.2951 -42.2945 -42.2945 -41.6028 -41.6028 -41.6026 -41.6026 -9.1940 -9.1940 -9.0857 -9.0857 -8.5509 -8.5509 -8.5470 -8.5470 0.9223 0.9223 0.9989 0.9989 1.4103 1.4103 1.4677 1.4677 1.7029 1.7029 1.8195 1.8195 2.4919 2.4919 2.6729 2.6729 3.2879 3.2879 3.4798 3.4798 4.0275 4.0275 4.1068 4.1068 4.9328 4.9328 4.9910 4.9910 5.1923 5.1923 5.2618 5.2618 5.4212 5.4212 5.4863 5.4863 5.6553 5.6553 5.7635 5.7635 7.4630 7.4630 7.5054 7.5054 12.4386 12.4386 12.6167 12.6167 12.7502 12.7502 12.9807 12.9807 k = 0.0000 0.0000 0.3030 ( 6760 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2949 -42.2949 -42.2946 -42.2946 -41.6028 -41.6028 -41.6027 -41.6027 -9.1674 -9.1674 -9.1132 -9.1132 -8.5499 -8.5499 -8.5480 -8.5480 0.9403 0.9403 0.9786 0.9786 1.4985 1.4985 1.5176 1.5176 1.6537 1.6537 1.7237 1.7237 2.5344 2.5344 2.6251 2.6251 3.3390 3.3390 3.4351 3.4351 4.0434 4.0434 4.0833 4.0833 4.9500 4.9500 4.9795 4.9795 5.2122 5.2122 5.2479 5.2479 5.4387 5.4387 5.4727 5.4727 5.6815 5.6815 5.7364 5.7364 7.4695 7.4695 7.4905 7.4905 12.5219 12.5219 12.6775 12.6775 12.7083 12.7083 12.8897 12.8897 k = 0.0000 0.0000 0.3151 ( 6754 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4787 -46.4787 -42.2948 -42.2948 -42.2948 -42.2948 -41.6027 -41.6027 -41.6027 -41.6027 -9.1404 -9.1404 -9.1404 -9.1404 -8.5490 -8.5490 -8.5490 -8.5490 0.9591 0.9591 0.9591 0.9591 1.5491 1.5491 1.5491 1.5491 1.6464 1.6464 1.6464 1.6464 2.5788 2.5788 2.5788 2.5788 3.3881 3.3881 3.3881 3.3881 4.0621 4.0621 4.0621 4.0621 4.9657 4.9657 4.9657 4.9657 5.2311 5.2311 5.2311 5.2311 5.4563 5.4563 5.4563 5.4563 5.7089 5.7089 5.7089 5.7089 7.4787 7.4787 7.4787 7.4787 12.6020 12.6020 12.6020 12.6020 12.7985 12.7985 12.7985 12.7985 k = 0.0000 0.0000 0.3151 ( 6754 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4787 -46.4787 -42.2948 -42.2948 -42.2948 -42.2948 -41.6027 -41.6027 -41.6027 -41.6027 -9.1404 -9.1404 -9.1404 -9.1404 -8.5490 -8.5490 -8.5490 -8.5490 0.9591 0.9591 0.9591 0.9591 1.5491 1.5491 1.5491 1.5491 1.6464 1.6464 1.6464 1.6464 2.5788 2.5788 2.5788 2.5788 3.3881 3.3881 3.3881 3.3881 4.0621 4.0621 4.0621 4.0621 4.9657 4.9657 4.9657 4.9657 5.2311 5.2311 5.2311 5.2311 5.4563 5.4563 5.4563 5.4563 5.7089 5.7089 5.7089 5.7089 7.4787 7.4787 7.4787 7.4787 12.6020 12.6020 12.6020 12.6020 12.7985 12.7985 12.7985 12.7985 k = 0.0000 0.0118 0.3151 ( 6753 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2948 -42.2948 -42.2947 -42.2947 -41.6027 -41.6027 -41.6027 -41.6027 -9.1429 -9.1429 -9.1373 -9.1373 -8.5551 -8.5551 -8.5436 -8.5436 0.9363 0.9363 0.9824 0.9824 1.5255 1.5255 1.5731 1.5731 1.6365 1.6365 1.6567 1.6567 2.5705 2.5705 2.5878 2.5878 3.3737 3.3737 3.4006 3.4006 4.0456 4.0456 4.0792 4.0792 4.9612 4.9612 4.9706 4.9706 5.2238 5.2238 5.2374 5.2374 5.4481 5.4481 5.4640 5.4640 5.6942 5.6942 5.7242 5.7242 7.4633 7.4633 7.4929 7.4929 12.5941 12.5941 12.6129 12.6129 12.7949 12.7949 12.8049 12.8049 k = 0.0000 0.0236 0.3151 ( 6755 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2949 -42.2949 -42.2947 -42.2947 -41.6027 -41.6027 -41.6027 -41.6027 -9.1447 -9.1447 -9.1334 -9.1334 -8.5620 -8.5620 -8.5390 -8.5390 0.9144 0.9144 1.0059 1.0059 1.5026 1.5026 1.5968 1.5968 1.6270 1.6270 1.6675 1.6675 2.5627 2.5627 2.5975 2.5975 3.3577 3.3577 3.4108 3.4108 4.0297 4.0297 4.0968 4.0968 4.9572 4.9572 4.9759 4.9759 5.2158 5.2158 5.2429 5.2429 5.4394 5.4394 5.4707 5.4707 5.6802 5.6802 5.7398 5.7398 7.4473 7.4473 7.5057 7.5057 12.5891 12.5891 12.6267 12.6267 12.7938 12.7938 12.8139 12.8139 k = 0.0000 0.0355 0.3151 ( 6757 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2949 -42.2949 -42.2946 -42.2946 -41.6028 -41.6028 -41.6027 -41.6027 -9.1458 -9.1458 -9.1289 -9.1289 -8.5697 -8.5697 -8.5351 -8.5351 0.8935 0.8935 1.0291 1.0291 1.4808 1.4808 1.6134 1.6134 1.6239 1.6239 1.6797 1.6797 2.5556 2.5556 2.6078 2.6078 3.3402 3.3402 3.4185 3.4185 4.0144 4.0144 4.1149 4.1149 4.9535 4.9535 4.9818 4.9818 5.2070 5.2070 5.2474 5.2474 5.4304 5.4304 5.4763 5.4763 5.6670 5.6670 5.7559 5.7559 7.4308 7.4308 7.5169 7.5169 12.5868 12.5868 12.6433 12.6433 12.7954 12.7954 12.8259 12.8259 k = 0.0000 0.0473 0.3151 ( 6760 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2950 -42.2950 -42.2946 -42.2946 -41.6028 -41.6028 -41.6027 -41.6027 -9.1463 -9.1463 -9.1237 -9.1237 -8.5781 -8.5781 -8.5320 -8.5320 0.8737 0.8737 1.0515 1.0515 1.4600 1.4600 1.6067 1.6067 1.6424 1.6424 1.6944 1.6944 2.5490 2.5490 2.6188 2.6188 3.3219 3.3219 3.4236 3.4236 3.9997 3.9997 4.1333 4.1333 4.9500 4.9500 4.9881 4.9881 5.1976 5.1976 5.2510 5.2510 5.4214 5.4214 5.4806 5.4806 5.6548 5.6548 5.7721 5.7721 7.4143 7.4143 7.5260 7.5260 12.5870 12.5870 12.6623 12.6623 12.7996 12.7996 12.8409 12.8409 k = 0.0000 0.0591 0.3151 ( 6759 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4785 -46.4785 -42.2950 -42.2950 -42.2945 -42.2945 -41.6028 -41.6028 -41.6026 -41.6026 -9.1461 -9.1461 -9.1179 -9.1179 -8.5873 -8.5873 -8.5297 -8.5297 0.8552 0.8552 1.0723 1.0723 1.4406 1.4406 1.5990 1.5990 1.6593 1.6593 1.7133 1.7133 2.5429 2.5429 2.6304 2.6304 3.3029 3.3029 3.4261 3.4261 3.9854 3.9854 4.1519 4.1519 4.9467 4.9467 4.9949 4.9949 5.1876 5.1876 5.2537 5.2537 5.4124 5.4124 5.4832 5.4832 5.6438 5.6438 5.7885 5.7885 7.3982 7.3982 7.5330 7.5330 12.5895 12.5895 12.6834 12.6834 12.8064 12.8064 12.8591 12.8591 k = 0.0000 0.0709 0.3151 ( 6761 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4785 -46.4785 -42.2951 -42.2951 -42.2945 -42.2945 -41.6028 -41.6028 -41.6026 -41.6026 -9.1452 -9.1452 -9.1114 -9.1114 -8.5971 -8.5971 -8.5281 -8.5281 0.8380 0.8380 1.0906 1.0906 1.4223 1.4223 1.5930 1.5930 1.6726 1.6726 1.7362 1.7362 2.5373 2.5373 2.6428 2.6428 3.2836 3.2836 3.4258 3.4258 3.9716 3.9716 4.1704 4.1704 4.9435 4.9435 5.0021 5.0021 5.1772 5.1772 5.2553 5.2553 5.4038 5.4038 5.4841 5.4841 5.6341 5.6341 5.8050 5.8050 7.3828 7.3828 7.5376 7.5376 12.5939 12.5939 12.7061 12.7061 12.8159 12.8159 12.8808 12.8808 k = 0.0000 0.0827 0.3151 ( 6759 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2951 -42.2951 -42.2944 -42.2944 -41.6028 -41.6028 -41.6026 -41.6026 -9.1438 -9.1438 -9.1043 -9.1043 -8.6076 -8.6076 -8.5272 -8.5272 0.8222 0.8222 1.1056 1.1056 1.4050 1.4050 1.5899 1.5899 1.6833 1.6833 1.7621 1.7621 2.5322 2.5322 2.6558 2.6558 3.2643 3.2643 3.4228 3.4228 3.9583 3.9583 4.1886 4.1886 4.9402 4.9402 5.0096 5.0096 5.1665 5.1665 5.2559 5.2559 5.3955 5.3955 5.4830 5.4830 5.6257 5.6257 5.8216 5.8216 7.3684 7.3684 7.5397 7.5397 12.6000 12.6000 12.7298 12.7298 12.8281 12.8281 12.9062 12.9062 k = 0.0000 0.0946 0.3151 ( 6764 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2952 -42.2952 -42.2944 -42.2944 -41.6028 -41.6028 -41.6026 -41.6026 -9.1418 -9.1418 -9.0965 -9.0965 -8.6187 -8.6187 -8.5269 -8.5269 0.8078 0.8078 1.1164 1.1164 1.3881 1.3881 1.5909 1.5909 1.6926 1.6926 1.7897 1.7897 2.5275 2.5275 2.6695 2.6695 3.2454 3.2454 3.4173 3.4173 3.9454 3.9454 4.2063 4.2063 4.9368 4.9368 5.0173 5.0173 5.1556 5.1556 5.2555 5.2555 5.3878 5.3878 5.4801 5.4801 5.6186 5.6186 5.8381 5.8381 7.3554 7.3554 7.5392 7.5392 12.6074 12.6074 12.7540 12.7540 12.8426 12.8426 12.9352 12.9352 k = 0.0000 0.1064 0.3151 ( 6760 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4784 -46.4784 -42.2952 -42.2952 -42.2944 -42.2944 -41.6029 -41.6029 -41.6026 -41.6026 -9.1393 -9.1393 -9.0882 -9.0882 -8.6304 -8.6304 -8.5274 -8.5274 0.7947 0.7947 1.1225 1.1225 1.3710 1.3710 1.5972 1.5972 1.7011 1.7011 1.8184 1.8184 2.5231 2.5231 2.6839 2.6839 3.2271 3.2271 3.4093 3.4093 3.9329 3.9329 4.2233 4.2233 4.9332 4.9332 5.0252 5.0252 5.1449 5.1449 5.2541 5.2541 5.3809 5.3809 5.4755 5.4755 5.6127 5.6127 5.8545 5.8545 7.3439 7.3439 7.5360 7.5360 12.6159 12.6159 12.7784 12.7784 12.8595 12.8595 12.9676 12.9676 k = 0.0000 0.1182 0.3151 ( 6761 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4784 -46.4784 -42.2953 -42.2953 -42.2943 -42.2943 -41.6029 -41.6029 -41.6026 -41.6026 -9.1363 -9.1363 -9.0793 -9.0793 -8.6426 -8.6426 -8.5284 -8.5284 0.7829 0.7829 1.1240 1.1240 1.3530 1.3530 1.6095 1.6095 1.7092 1.7092 1.8477 1.8477 2.5191 2.5191 2.6989 2.6989 3.2095 3.2095 3.3991 3.3991 3.9208 3.9208 4.2393 4.2393 4.9293 4.9293 5.0329 5.0329 5.1344 5.1344 5.2516 5.2516 5.3748 5.3748 5.4695 5.4695 5.6078 5.6078 5.8708 5.8708 7.3343 7.3343 7.5301 7.5301 12.6253 12.6253 12.8027 12.8027 12.8783 12.8783 13.0030 13.0030 k = 0.0000 0.1300 0.3151 ( 6754 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4784 -46.4784 -42.2953 -42.2953 -42.2943 -42.2943 -41.6029 -41.6029 -41.6025 -41.6025 -9.1328 -9.1328 -9.0698 -9.0698 -8.6552 -8.6552 -8.5301 -8.5301 0.7725 0.7725 1.1212 1.1212 1.3333 1.3333 1.6278 1.6278 1.7172 1.7172 1.8773 1.8773 2.5153 2.5153 2.7146 2.7146 3.1930 3.1930 3.3867 3.3867 3.9092 3.9092 4.2541 4.2541 4.9249 4.9249 5.0401 5.0401 5.1245 5.1245 5.2481 5.2481 5.3697 5.3697 5.4623 5.4623 5.6035 5.6035 5.8869 5.8869 7.3266 7.3266 7.5217 7.5217 12.6354 12.6354 12.8265 12.8265 12.8987 12.8987 13.0408 13.0408 k = 0.0000 0.1419 0.3151 ( 6759 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4783 -46.4783 -42.2954 -42.2954 -42.2942 -42.2942 -41.6029 -41.6029 -41.6025 -41.6025 -9.1290 -9.1290 -9.0598 -9.0598 -8.6682 -8.6682 -8.5323 -8.5323 0.7632 0.7632 1.1146 1.1146 1.3119 1.3119 1.6518 1.6518 1.7252 1.7252 1.9070 1.9070 2.5117 2.5117 2.7308 2.7308 3.1775 3.1775 3.3726 3.3726 3.8981 3.8981 4.2676 4.2676 4.9200 4.9200 5.0464 5.0464 5.1157 5.1157 5.2436 5.2436 5.3657 5.3657 5.4543 5.4543 5.5996 5.5996 5.9027 5.9027 7.3210 7.3210 7.5106 7.5106 12.6460 12.6460 12.8497 12.8497 12.9200 12.9200 13.0801 13.0801 k = 0.0000 0.1537 0.3151 ( 6761 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4783 -46.4783 -42.2954 -42.2954 -42.2942 -42.2942 -41.6029 -41.6029 -41.6025 -41.6025 -9.1249 -9.1249 -9.0493 -9.0493 -8.6814 -8.6814 -8.5350 -8.5350 0.7552 0.7552 1.1051 1.1051 1.2888 1.2888 1.6805 1.6805 1.7333 1.7333 1.9366 1.9366 2.5082 2.5082 2.7476 2.7476 3.1633 3.1633 3.3569 3.3569 3.8875 3.8875 4.2796 4.2796 4.9144 4.9144 5.0510 5.0510 5.1086 5.1086 5.2382 5.2382 5.3629 5.3629 5.4458 5.4458 5.5960 5.5960 5.9183 5.9183 7.3176 7.3176 7.4971 7.4971 12.6571 12.6571 12.8719 12.8719 12.9419 12.9419 13.1202 13.1202 k = 0.0000 0.1655 0.3151 ( 6756 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4783 -46.4783 -42.2955 -42.2955 -42.2941 -42.2941 -41.6029 -41.6029 -41.6025 -41.6025 -9.1207 -9.1207 -9.0383 -9.0383 -8.6947 -8.6947 -8.5383 -8.5383 0.7482 0.7482 1.0933 1.0933 1.2641 1.2641 1.7133 1.7133 1.7415 1.7415 1.9661 1.9661 2.5048 2.5048 2.7650 2.7650 3.1504 3.1504 3.3401 3.3401 3.8776 3.8776 4.2900 4.2900 4.9082 4.9082 5.0531 5.0531 5.1041 5.1041 5.2320 5.2320 5.3612 5.3612 5.4371 5.4371 5.5924 5.5924 5.9334 5.9334 7.3163 7.3163 7.4812 7.4812 12.6684 12.6684 12.8927 12.8927 12.9635 12.9635 13.1603 13.1603 k = 0.0000 0.1773 0.3151 ( 6752 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4783 -46.4783 -42.2955 -42.2955 -42.2941 -42.2941 -41.6030 -41.6030 -41.6025 -41.6025 -9.1164 -9.1164 -9.0269 -9.0269 -8.7080 -8.7080 -8.5420 -8.5420 0.7422 0.7422 1.0795 1.0795 1.2383 1.2383 1.7484 1.7484 1.7506 1.7506 1.9952 1.9952 2.5015 2.5015 2.7828 2.7828 3.1388 3.1388 3.3223 3.3223 3.8684 3.8684 4.2987 4.2987 4.9014 4.9014 5.0520 5.0520 5.1027 5.1027 5.2252 5.2252 5.3606 5.3606 5.4284 5.4284 5.5888 5.5888 5.9481 5.9481 7.3172 7.3172 7.4632 7.4632 12.6800 12.6800 12.9112 12.9112 12.9843 12.9843 13.2000 13.2000 k = 0.0000 0.1891 0.3151 ( 6753 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4782 -46.4782 -42.2955 -42.2955 -42.2940 -42.2940 -41.6030 -41.6030 -41.6025 -41.6025 -9.1122 -9.1122 -9.0151 -9.0151 -8.7211 -8.7211 -8.5461 -8.5461 0.7372 0.7372 1.0642 1.0642 1.2118 1.2118 1.7581 1.7581 1.7873 1.7873 2.0239 2.0239 2.4981 2.4981 2.8011 2.8011 3.1286 3.1286 3.3041 3.3041 3.8600 3.8600 4.3056 4.3056 4.8938 4.8938 5.0483 5.0483 5.1038 5.1038 5.2180 5.2180 5.3610 5.3610 5.4200 5.4200 5.5852 5.5852 5.9624 5.9624 7.3201 7.3201 7.4431 7.4431 12.6915 12.6915 12.9269 12.9269 13.0036 13.0036 13.2391 13.2391 k = 0.0000 0.2010 0.3151 ( 6750 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4782 -46.4782 -42.2956 -42.2956 -42.2940 -42.2940 -41.6030 -41.6030 -41.6025 -41.6025 -9.1083 -9.1083 -9.0029 -9.0029 -8.7338 -8.7338 -8.5507 -8.5507 0.7330 0.7330 1.0473 1.0473 1.1852 1.1852 1.7664 1.7664 1.8271 1.8271 2.0519 2.0519 2.4947 2.4947 2.8198 2.8198 3.1198 3.1198 3.2859 3.2859 3.8525 3.8525 4.3108 4.3108 4.8857 4.8857 5.0430 5.0430 5.1060 5.1060 5.2105 5.2105 5.3624 5.3624 5.4121 5.4121 5.5815 5.5815 5.9760 5.9760 7.3249 7.3249 7.4213 7.4213 12.7030 12.7030 12.9386 12.9386 13.0206 13.0206 13.2777 13.2777 k = 0.0000 0.2128 0.3151 ( 6749 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4791 -46.4791 -46.4782 -46.4782 -42.2956 -42.2956 -42.2939 -42.2939 -41.6030 -41.6030 -41.6024 -41.6024 -9.1048 -9.1048 -8.9903 -8.9903 -8.7459 -8.7459 -8.5555 -8.5555 0.7296 0.7296 1.0290 1.0290 1.1589 1.1589 1.7745 1.7745 1.8678 1.8678 2.0793 2.0793 2.4913 2.4913 2.8387 2.8387 3.1123 3.1123 3.2681 3.2681 3.8459 3.8459 4.3143 4.3143 4.8769 4.8769 5.0372 5.0372 5.1084 5.1084 5.2030 5.2030 5.3644 5.3644 5.4048 5.4048 5.5776 5.5776 5.9891 5.9891 7.3313 7.3313 7.3982 7.3982 12.7140 12.7140 12.9456 12.9456 13.0345 13.0345 13.3164 13.3164 k = 0.0000 0.2246 0.3151 ( 6749 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4782 -46.4782 -42.2957 -42.2957 -42.2939 -42.2939 -41.6030 -41.6030 -41.6024 -41.6024 -9.1021 -9.1021 -8.9775 -8.9775 -8.7572 -8.7572 -8.5607 -8.5607 0.7269 0.7269 1.0089 1.0089 1.1336 1.1336 1.7820 1.7820 1.9091 1.9091 2.1059 2.1059 2.4878 2.4878 2.8578 2.8578 3.1063 3.1063 3.2512 3.2512 3.8404 3.8404 4.3160 4.3160 4.8676 4.8676 5.0314 5.0314 5.1101 5.1101 5.1956 5.1956 5.3668 5.3668 5.3987 5.3987 5.5737 5.5737 6.0015 6.0015 7.3384 7.3384 7.3748 7.3748 12.7244 12.7244 12.9472 12.9472 13.0447 13.0447 13.3557 13.3557 k = 0.0000 0.2364 0.3151 ( 6754 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4792 -46.4792 -46.4781 -46.4781 -42.2957 -42.2957 -42.2938 -42.2938 -41.6030 -41.6030 -41.6024 -41.6024 -9.1003 -9.1003 -8.9644 -8.9644 -8.7673 -8.7673 -8.5662 -8.5662 0.7247 0.7247 0.9870 0.9870 1.1099 1.1099 1.7886 1.7886 1.9503 1.9503 2.1318 2.1318 2.4843 2.4843 2.8770 2.8770 3.1017 3.1017 3.2358 3.2358 3.8360 3.8360 4.3162 4.3162 4.8578 4.8578 5.0258 5.0258 5.1107 5.1107 5.1885 5.1885 5.3691 5.3691 5.3942 5.3942 5.5697 5.5697 6.0132 6.0132 7.3380 7.3380 7.3592 7.3592 12.7339 12.7339 12.9432 12.9432 13.0505 13.0505 13.3963 13.3963 k = 0.0000 0.2482 0.3151 ( 6756 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4792 -46.4792 -46.4781 -46.4781 -42.2958 -42.2958 -42.2938 -42.2938 -41.6030 -41.6030 -41.6024 -41.6024 -9.0997 -9.0997 -8.9510 -8.9510 -8.7760 -8.7760 -8.5718 -8.5718 0.7230 0.7230 0.9631 0.9631 1.0882 1.0882 1.7941 1.7941 1.9911 1.9911 2.1570 2.1570 2.4808 2.4808 2.8962 2.8962 3.0986 3.0986 3.2223 3.2223 3.8326 3.8326 4.3149 4.3149 4.8477 4.8477 5.0208 5.0208 5.1099 5.1099 5.1818 5.1818 5.3705 5.3705 5.3921 5.3921 5.5656 5.5656 6.0241 6.0241 7.3164 7.3164 7.3656 7.3656 12.7420 12.7420 12.9335 12.9335 13.0512 13.0512 13.4387 13.4387 k = 0.0000 0.2601 0.3151 ( 6760 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4781 -46.4781 -42.2958 -42.2958 -42.2938 -42.2938 -41.6031 -41.6031 -41.6024 -41.6024 -9.1007 -9.1007 -8.9375 -8.9375 -8.7831 -8.7831 -8.5777 -8.5777 0.7218 0.7218 0.9374 0.9374 1.0687 1.0687 1.7978 1.7978 2.0307 2.0307 2.1817 2.1817 2.4776 2.4776 2.9151 2.9151 3.0969 3.0969 3.2113 3.2113 3.8305 3.8305 4.3122 4.3122 4.8372 4.8372 5.0163 5.0163 5.1076 5.1076 5.1754 5.1754 5.3705 5.3705 5.3927 5.3927 5.5616 5.5616 6.0343 6.0343 7.2898 7.2898 7.3775 7.3775 12.7484 12.7484 12.9186 12.9186 13.0463 13.0463 13.4833 13.4833 k = 0.0000 0.2719 0.3151 ( 6764 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4781 -46.4781 -42.2959 -42.2959 -42.2937 -42.2937 -41.6031 -41.6031 -41.6024 -41.6024 -9.1033 -9.1033 -8.9238 -8.9238 -8.7882 -8.7882 -8.5837 -8.5837 0.7209 0.7209 0.9101 0.9101 1.0514 1.0514 1.7994 1.7994 2.0687 2.0687 2.2061 2.2061 2.4748 2.4748 2.9337 2.9337 3.0968 3.0968 3.2032 3.2032 3.8296 3.8296 4.3084 4.3084 4.8264 4.8264 5.0125 5.0125 5.1039 5.1039 5.1693 5.1693 5.3698 5.3698 5.3956 5.3956 5.5576 5.5576 6.0436 6.0436 7.2623 7.2623 7.3911 7.3911 12.7525 12.7525 12.8992 12.8992 13.0355 13.0355 13.5301 13.5301 k = 0.0000 0.2837 0.3151 ( 6767 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4780 -46.4780 -42.2959 -42.2959 -42.2937 -42.2937 -41.6031 -41.6031 -41.6024 -41.6024 -9.1078 -9.1078 -8.9100 -8.9100 -8.7912 -8.7912 -8.5898 -8.5898 0.7202 0.7202 0.8817 0.8817 1.0361 1.0361 1.7982 1.7982 2.1044 2.1044 2.2305 2.2305 2.4728 2.4728 2.9515 2.9515 3.0983 3.0983 3.1985 3.1985 3.8297 3.8297 4.3035 4.3035 4.8155 4.8155 5.0091 5.0091 5.0991 5.0991 5.1631 5.1631 5.3693 5.3693 5.3998 5.3998 5.5538 5.5538 6.0521 6.0521 7.2345 7.2345 7.4060 7.4060 12.7538 12.7538 12.8762 12.8762 13.0185 13.0185 13.5791 13.5791 k = 0.0000 0.2837 0.3151 ( 6767 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4780 -46.4780 -42.2959 -42.2959 -42.2937 -42.2937 -41.6031 -41.6031 -41.6024 -41.6024 -9.1078 -9.1078 -8.9100 -8.9100 -8.7912 -8.7912 -8.5898 -8.5898 0.7202 0.7202 0.8817 0.8817 1.0361 1.0361 1.7982 1.7982 2.1044 2.1044 2.2305 2.2305 2.4728 2.4728 2.9515 2.9515 3.0983 3.0983 3.1985 3.1985 3.8297 3.8297 4.3035 4.3035 4.8155 4.8155 5.0091 5.0091 5.0991 5.0991 5.1631 5.1631 5.3693 5.3693 5.3998 5.3998 5.5538 5.5538 6.0521 6.0521 7.2345 7.2345 7.4060 7.4060 12.7538 12.7538 12.8762 12.8762 13.0185 13.0185 13.5791 13.5791 k = 0.0000 0.2895 0.3054 ( 6763 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4781 -46.4781 -42.2958 -42.2958 -42.2938 -42.2938 -41.6031 -41.6031 -41.6024 -41.6024 -9.0955 -9.0955 -8.9203 -8.9203 -8.7871 -8.7871 -8.5970 -8.5970 0.7210 0.7210 0.9133 0.9133 1.0185 1.0185 1.7980 1.7980 2.0988 2.0988 2.1842 2.1842 2.4877 2.4877 2.9302 2.9302 3.1295 3.1295 3.2063 3.2063 3.8437 3.8437 4.2965 4.2965 4.8356 4.8356 5.0164 5.0164 5.1103 5.1103 5.1812 5.1812 5.3602 5.3602 5.4018 5.4018 5.5672 5.5672 6.0326 6.0326 7.1988 7.1988 7.3552 7.3552 12.7547 12.7547 12.8504 12.8504 13.0602 13.0602 13.5548 13.5548 k = 0.0000 0.2954 0.2956 ( 6766 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4792 -46.4792 -46.4782 -46.4782 -42.2957 -42.2957 -42.2939 -42.2939 -41.6030 -41.6030 -41.6024 -41.6024 -9.0841 -9.0841 -8.9303 -8.9303 -8.7819 -8.7819 -8.6047 -8.6047 0.7223 0.7223 0.9239 0.9239 1.0247 1.0247 1.7909 1.7909 2.0926 2.0926 2.1435 2.1435 2.5038 2.5038 2.9051 2.9051 3.1611 3.1611 3.2153 3.2153 3.8608 3.8608 4.2876 4.2876 4.8549 4.8549 5.0212 5.0212 5.1218 5.1218 5.1985 5.1985 5.3511 5.3511 5.4032 5.4032 5.5840 5.5840 6.0121 6.0121 7.1646 7.1646 7.3060 7.3060 12.7533 12.7533 12.8271 12.8271 13.0990 13.0990 13.5309 13.5309 k = 0.0000 0.3012 0.2859 ( 6766 PWs) bands (ev): -77.6132 -77.6132 -77.6131 -77.6131 -46.4791 -46.4791 -46.4782 -46.4782 -42.2956 -42.2956 -42.2940 -42.2940 -41.6030 -41.6030 -41.6025 -41.6025 -9.0734 -9.0734 -8.9400 -8.9400 -8.7754 -8.7754 -8.6130 -8.6130 0.7241 0.7241 0.9124 0.9124 1.0558 1.0558 1.7757 1.7757 2.0857 2.0857 2.1103 2.1103 2.5208 2.5208 2.8789 2.8789 3.1901 3.1901 3.2252 3.2252 3.8811 3.8811 4.2765 4.2765 4.8734 4.8734 5.0237 5.0237 5.1335 5.1335 5.2143 5.2143 5.3429 5.3429 5.4039 5.4039 5.6034 5.6034 5.9908 5.9908 7.1325 7.1325 7.2591 7.2591 12.7502 12.7502 12.8061 12.8061 13.1350 13.1350 13.5076 13.5076 k = 0.0000 0.3070 0.2761 ( 6772 PWs) bands (ev): -77.6132 -77.6132 -77.6131 -77.6131 -46.4791 -46.4791 -46.4783 -46.4783 -42.2955 -42.2955 -42.2941 -42.2941 -41.6030 -41.6030 -41.6025 -41.6025 -9.0635 -9.0635 -8.9493 -8.9493 -8.7678 -8.7678 -8.6219 -8.6219 0.7268 0.7268 0.8931 0.8931 1.0976 1.0976 1.7520 1.7520 2.0766 2.0766 2.0871 2.0871 2.5386 2.5386 2.8525 2.8525 3.2154 3.2154 3.2357 3.2357 3.9044 3.9044 4.2632 4.2632 4.8910 4.8910 5.0241 5.0241 5.1452 5.1452 5.2277 5.2277 5.3366 5.3366 5.4039 5.4039 5.6247 5.6247 5.9686 5.9686 7.1033 7.1033 7.2148 7.2148 12.7461 12.7461 12.7877 12.7877 13.1682 13.1682 13.4852 13.4852 k = 0.0000 0.3129 0.2663 ( 6773 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4783 -46.4783 -42.2954 -42.2954 -42.2942 -42.2942 -41.6029 -41.6029 -41.6025 -41.6025 -9.0543 -9.0543 -8.9583 -8.9583 -8.7593 -8.7593 -8.6313 -8.6313 0.7303 0.7303 0.8725 0.8725 1.1433 1.1433 1.7202 1.7202 2.0627 2.0627 2.0764 2.0764 2.5571 2.5571 2.8265 2.8265 3.2362 3.2362 3.2463 3.2463 3.9302 3.9302 4.2477 4.2477 4.9076 4.9076 5.0227 5.0227 5.1568 5.1568 5.2375 5.2375 5.3337 5.3337 5.4034 5.4034 5.6474 5.6474 5.9457 5.9457 7.0775 7.0775 7.1738 7.1738 12.7414 12.7414 12.7718 12.7718 13.1988 13.1988 13.4635 13.4635 k = 0.0000 0.3187 0.2566 ( 6769 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4784 -46.4784 -42.2953 -42.2953 -42.2943 -42.2943 -41.6029 -41.6029 -41.6026 -41.6026 -9.0456 -9.0456 -8.9670 -8.9670 -8.7499 -8.7499 -8.6412 -8.6412 0.7347 0.7347 0.8526 0.8526 1.1910 1.1910 1.6817 1.6817 2.0516 2.0516 2.0695 2.0695 2.5763 2.5763 2.8009 2.8009 3.2520 3.2520 3.2574 3.2574 3.9580 3.9580 4.2298 4.2298 4.9233 4.9233 5.0197 5.0197 5.1680 5.1680 5.2425 5.2425 5.3351 5.3351 5.4020 5.4020 5.6712 5.6712 5.9222 5.9222 7.0557 7.0557 7.1366 7.1366 12.7366 12.7366 12.7583 12.7583 13.2270 13.2270 13.4426 13.4426 k = 0.0000 0.3245 0.2468 ( 6759 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4784 -46.4784 -42.2952 -42.2952 -42.2944 -42.2944 -41.6029 -41.6029 -41.6026 -41.6026 -9.0374 -9.0374 -8.9754 -8.9754 -8.7398 -8.7398 -8.6515 -8.6515 0.7402 0.7402 0.8339 0.8339 1.2400 1.2400 1.6384 1.6384 2.0450 2.0450 2.0634 2.0634 2.5961 2.5961 2.7758 2.7758 3.2630 3.2630 3.2685 3.2685 3.9874 3.9874 4.2095 4.2095 4.9379 4.9379 5.0154 5.0154 5.1788 5.1788 5.2427 5.2427 5.3408 5.3408 5.3996 5.3996 5.6958 5.6958 5.8981 5.8981 7.0385 7.0385 7.1038 7.1038 12.7323 12.7323 12.7473 12.7473 13.2531 13.2531 13.4222 13.4222 k = 0.0000 0.3304 0.2371 ( 6759 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2951 -42.2951 -42.2945 -42.2945 -41.6028 -41.6028 -41.6026 -41.6026 -9.0295 -9.0295 -8.9835 -8.9835 -8.7292 -8.7292 -8.6622 -8.6622 0.7469 0.7469 0.8168 0.8168 1.2898 1.2898 1.5917 1.5917 2.0418 2.0418 2.0578 2.0578 2.6166 2.6166 2.7513 2.7513 3.2714 3.2714 3.2773 3.2773 4.0176 4.0176 4.1870 4.1870 4.9515 4.9515 5.0097 5.0097 5.1891 5.1891 5.2390 5.2390 5.3493 5.3493 5.3961 5.3961 5.7209 5.7209 5.8735 5.8735 7.0265 7.0265 7.0757 7.0757 12.7286 12.7286 12.7386 12.7386 13.2774 13.2774 13.4022 13.4022 k = 0.0000 0.3362 0.2273 ( 6762 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2950 -42.2950 -42.2946 -42.2946 -41.6028 -41.6028 -41.6027 -41.6027 -9.0218 -9.0218 -8.9914 -8.9914 -8.7182 -8.7182 -8.6731 -8.6731 0.7549 0.7549 0.8013 0.8013 1.3402 1.3402 1.5429 1.5429 2.0412 2.0412 2.0528 2.0528 2.6376 2.6376 2.7274 2.7274 3.2780 3.2780 3.2829 3.2829 4.0481 4.0481 4.1624 4.1624 4.9639 4.9639 5.0027 5.0027 5.1990 5.1990 5.2330 5.2330 5.3589 5.3589 5.3913 5.3913 5.7463 5.7463 5.8484 5.8484 7.0199 7.0199 7.0529 7.0529 12.7261 12.7261 12.7321 12.7321 13.3002 13.3002 13.3824 13.3824 k = 0.0000 0.3420 0.2176 ( 6756 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2949 -42.2949 -42.2947 -42.2947 -41.6028 -41.6028 -41.6027 -41.6027 -9.0142 -9.0142 -8.9991 -8.9991 -8.7070 -8.7070 -8.6843 -8.6843 0.7642 0.7642 0.7874 0.7874 1.3911 1.3911 1.4928 1.4928 2.0423 2.0423 2.0484 2.0484 2.6592 2.6592 2.7040 2.7040 3.2828 3.2828 3.2855 3.2855 4.0783 4.0783 4.1359 4.1359 4.9753 4.9753 4.9947 4.9947 5.2085 5.2085 5.2256 5.2256 5.3686 5.3686 5.3851 5.3851 5.7719 5.7719 5.8231 5.8231 7.0192 7.0192 7.0358 7.0358 12.7250 12.7250 12.7278 12.7278 13.3218 13.3218 13.3626 13.3626 k = 0.0000 0.3478 0.2078 ( 6746 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4787 -46.4787 -42.2948 -42.2948 -42.2948 -42.2948 -41.6027 -41.6027 -41.6027 -41.6027 -9.0067 -9.0067 -9.0067 -9.0067 -8.6957 -8.6957 -8.6957 -8.6957 0.7750 0.7750 0.7750 0.7750 1.4420 1.4420 1.4420 1.4420 2.0449 2.0449 2.0449 2.0449 2.6813 2.6813 2.6813 2.6813 3.2854 3.2854 3.2854 3.2854 4.1077 4.1077 4.1077 4.1077 4.9856 4.9856 4.9856 4.9856 5.2174 5.2174 5.2174 5.2174 5.3774 5.3774 5.3774 5.3774 5.7976 5.7976 5.7976 5.7976 7.0245 7.0245 7.0245 7.0245 12.7255 12.7255 12.7255 12.7255 13.3425 13.3425 13.3425 13.3425 k = 0.0000 0.3478 0.2078 ( 6746 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4787 -46.4787 -42.2948 -42.2948 -42.2948 -42.2948 -41.6027 -41.6027 -41.6027 -41.6027 -9.0067 -9.0067 -9.0067 -9.0067 -8.6957 -8.6957 -8.6957 -8.6957 0.7750 0.7750 0.7750 0.7750 1.4420 1.4420 1.4420 1.4420 2.0449 2.0449 2.0449 2.0449 2.6813 2.6813 2.6813 2.6813 3.2854 3.2854 3.2854 3.2854 4.1077 4.1077 4.1077 4.1077 4.9856 4.9856 4.9856 4.9856 5.2174 5.2174 5.2174 5.2174 5.3774 5.3774 5.3774 5.3774 5.7976 5.7976 5.7976 5.7976 7.0245 7.0245 7.0245 7.0245 12.7255 12.7255 12.7255 12.7255 13.3425 13.3425 13.3425 13.3425 k = 0.0122 0.3478 0.2078 ( 6752 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2949 -42.2949 -42.2947 -42.2947 -41.6028 -41.6028 -41.6027 -41.6027 -9.0066 -9.0066 -9.0065 -9.0065 -8.6959 -8.6959 -8.6951 -8.6951 0.7729 0.7729 0.7760 0.7760 1.4423 1.4423 1.4431 1.4431 2.0417 2.0417 2.0469 2.0469 2.6796 2.6796 2.6797 2.6797 3.2869 3.2869 3.2878 3.2878 4.1027 4.1027 4.1085 4.1085 4.9752 4.9752 4.9967 4.9967 5.2137 5.2137 5.2199 5.2199 5.3731 5.3731 5.3806 5.3806 5.7953 5.7953 5.8006 5.8006 7.0221 7.0221 7.0305 7.0305 12.7270 12.7270 12.7270 12.7270 13.3428 13.3428 13.3450 13.3450 k = 0.0244 0.3478 0.2078 ( 6758 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2950 -42.2950 -42.2946 -42.2946 -41.6029 -41.6029 -41.6026 -41.6026 -9.0061 -9.0061 -9.0060 -9.0060 -8.6958 -8.6958 -8.6943 -8.6943 0.7697 0.7697 0.7759 0.7759 1.4439 1.4439 1.4454 1.4454 2.0374 2.0374 2.0478 2.0478 2.6747 2.6747 2.6749 2.6749 3.2924 3.2924 3.2940 3.2940 4.0936 4.0936 4.1051 4.1051 4.9656 4.9656 5.0084 5.0084 5.2090 5.2090 5.2211 5.2211 5.3676 5.3676 5.3829 5.3829 5.7936 5.7936 5.8042 5.8042 7.0232 7.0232 7.0401 7.0401 12.7314 12.7314 12.7314 12.7314 13.3459 13.3459 13.3503 13.3503 k = 0.0366 0.3478 0.2078 ( 6766 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2951 -42.2951 -42.2945 -42.2945 -41.6029 -41.6029 -41.6026 -41.6026 -9.0053 -9.0053 -9.0052 -9.0052 -8.6954 -8.6954 -8.6932 -8.6932 0.7655 0.7655 0.7747 0.7747 1.4467 1.4467 1.4489 1.4489 2.0320 2.0320 2.0476 2.0476 2.6669 2.6669 2.6671 2.6671 3.3015 3.3015 3.3038 3.3038 4.0808 4.0808 4.0976 4.0976 4.9564 4.9564 5.0202 5.0202 5.2032 5.2032 5.2206 5.2206 5.3614 5.3614 5.3852 5.3852 5.7926 5.7926 5.8083 5.8083 7.0280 7.0280 7.0530 7.0530 12.7387 12.7387 12.7388 12.7388 13.3517 13.3517 13.3583 13.3583 k = 0.0488 0.3478 0.2078 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2952 -42.2952 -42.2944 -42.2944 -41.6030 -41.6030 -41.6025 -41.6025 -9.0042 -9.0042 -9.0041 -9.0041 -8.6947 -8.6947 -8.6918 -8.6918 0.7604 0.7604 0.7724 0.7724 1.4507 1.4507 1.4534 1.4534 2.0256 2.0256 2.0463 2.0463 2.6566 2.6566 2.6567 2.6567 3.3139 3.3139 3.3166 3.3166 4.0645 4.0645 4.0863 4.0863 4.9474 4.9474 5.0315 5.0315 5.1962 5.1962 5.2182 5.2182 5.3551 5.3551 5.3880 5.3880 5.7921 5.7921 5.8127 5.8127 7.0362 7.0362 7.0691 7.0691 12.7488 12.7488 12.7488 12.7488 13.3601 13.3601 13.3689 13.3689 k = 0.0610 0.3478 0.2078 ( 6774 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2953 -42.2953 -42.2944 -42.2944 -41.6031 -41.6031 -41.6025 -41.6025 -9.0028 -9.0028 -9.0027 -9.0027 -8.6938 -8.6938 -8.6900 -8.6900 0.7543 0.7543 0.7691 0.7691 1.4557 1.4557 1.4587 1.4587 2.0183 2.0183 2.0440 2.0440 2.6443 2.6443 2.6443 2.6443 3.3291 3.3291 3.3320 3.3320 4.0453 4.0453 4.0715 4.0715 4.9378 4.9378 5.0415 5.0415 5.1875 5.1875 5.2136 5.2136 5.3501 5.3501 5.3924 5.3924 5.7922 5.7922 5.8174 5.8174 7.0477 7.0477 7.0882 7.0882 12.7615 12.7615 12.7615 12.7615 13.3710 13.3710 13.3818 13.3818 k = 0.0732 0.3478 0.2078 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2954 -42.2954 -42.2943 -42.2943 -41.6032 -41.6032 -41.6025 -41.6025 -9.0011 -9.0011 -9.0009 -9.0009 -8.6925 -8.6925 -8.6880 -8.6880 0.7474 0.7474 0.7649 0.7649 1.4614 1.4614 1.4646 1.4646 2.0102 2.0102 2.0408 2.0408 2.6304 2.6304 2.6306 2.6306 3.3465 3.3465 3.3494 3.3494 4.0237 4.0237 4.0539 4.0539 4.9273 4.9273 5.0492 5.0492 5.1767 5.1767 5.2068 5.2068 5.3477 5.3477 5.3989 5.3989 5.7925 5.7925 5.8220 5.8220 7.0623 7.0623 7.1100 7.1100 12.7765 12.7765 12.7766 12.7766 13.3841 13.3841 13.3969 13.3969 k = 0.0854 0.3478 0.2078 ( 6770 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4786 -46.4786 -42.2955 -42.2955 -42.2942 -42.2942 -41.6033 -41.6033 -41.6024 -41.6024 -8.9991 -8.9991 -8.9989 -8.9989 -8.6910 -8.6910 -8.6858 -8.6858 0.7399 0.7399 0.7598 0.7598 1.4676 1.4676 1.4708 1.4708 2.0015 2.0015 2.0369 2.0369 2.6154 2.6154 2.6158 2.6158 3.3658 3.3658 3.3683 3.3683 4.0001 4.0001 4.0338 4.0338 4.9153 4.9153 5.0539 5.0539 5.1634 5.1634 5.1979 5.1979 5.3492 5.3492 5.4079 5.4079 5.7932 5.7932 5.8266 5.8266 7.0797 7.0797 7.1342 7.1342 12.7936 12.7936 12.7939 12.7939 13.3992 13.3992 13.4139 13.4139 k = 0.0976 0.3478 0.2078 ( 6766 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2955 -42.2955 -42.2941 -42.2941 -41.6034 -41.6034 -41.6024 -41.6024 -8.9968 -8.9968 -8.9966 -8.9966 -8.6891 -8.6891 -8.6832 -8.6832 0.7317 0.7317 0.7539 0.7539 1.4739 1.4739 1.4769 1.4769 1.9925 1.9925 2.0325 2.0325 2.5998 2.5998 2.6004 2.6004 3.3863 3.3863 3.3881 3.3881 3.9750 3.9750 4.0119 4.0119 4.9016 4.9016 5.0550 5.0550 5.1472 5.1472 5.1872 5.1872 5.3553 5.3553 5.4194 5.4194 5.7940 5.7940 5.8309 5.8309 7.0997 7.0997 7.1605 7.1605 12.8125 12.8125 12.8131 12.8131 13.4160 13.4160 13.4325 13.4325 k = 0.1098 0.3478 0.2078 ( 6768 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2956 -42.2956 -42.2940 -42.2940 -41.6034 -41.6034 -41.6024 -41.6024 -8.9942 -8.9942 -8.9940 -8.9940 -8.6871 -8.6871 -8.6804 -8.6804 0.7231 0.7231 0.7474 0.7474 1.4800 1.4800 1.4827 1.4827 1.9834 1.9834 2.0277 2.0277 2.5840 2.5840 2.5848 2.5848 3.4077 3.4077 3.4084 3.4084 3.9489 3.9489 3.9887 3.9887 4.8858 4.8858 5.0524 5.0524 5.1285 5.1285 5.1749 5.1749 5.3662 5.3662 5.4334 5.4334 5.7949 5.7949 5.8349 5.8349 7.1220 7.1220 7.1886 7.1886 12.8329 12.8329 12.8338 12.8338 13.4341 13.4341 13.4523 13.4523 k = 0.1220 0.3478 0.2078 ( 6766 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2957 -42.2957 -42.2939 -42.2939 -41.6035 -41.6035 -41.6024 -41.6024 -8.9914 -8.9914 -8.9912 -8.9912 -8.6847 -8.6847 -8.6774 -8.6774 0.7139 0.7139 0.7402 0.7402 1.4853 1.4853 1.4877 1.4877 1.9747 1.9747 2.0228 2.0228 2.5684 2.5684 2.5692 2.5692 3.4285 3.4285 3.4294 3.4294 3.9222 3.9222 3.9648 3.9648 4.8680 4.8680 5.0459 5.0459 5.1079 5.1079 5.1615 5.1615 5.3812 5.3812 5.4496 5.4496 5.7959 5.7959 5.8386 5.8386 7.1463 7.1463 7.2183 7.2183 12.8544 12.8544 12.8557 12.8557 13.4531 13.4531 13.4730 13.4730 k = 0.1341 0.3478 0.2078 ( 6762 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4785 -46.4785 -42.2958 -42.2958 -42.2939 -42.2939 -41.6036 -41.6036 -41.6024 -41.6024 -8.9884 -8.9884 -8.9881 -8.9881 -8.6822 -8.6822 -8.6741 -8.6741 0.7044 0.7044 0.7325 0.7325 1.4895 1.4895 1.4915 1.4915 1.9667 1.9667 2.0183 2.0183 2.5533 2.5533 2.5539 2.5539 3.4482 3.4482 3.4510 3.4510 3.8956 3.8956 3.9409 3.9409 4.8483 4.8483 5.0355 5.0355 5.0867 5.0867 5.1473 5.1473 5.3996 5.3996 5.4676 5.4676 5.7970 5.7970 5.8418 5.8418 7.1724 7.1724 7.2492 7.2492 12.8767 12.8767 12.8785 12.8785 13.4728 13.4728 13.4941 13.4941 k = 0.1463 0.3478 0.2078 ( 6760 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4785 -46.4785 -42.2959 -42.2959 -42.2938 -42.2938 -41.6038 -41.6038 -41.6024 -41.6024 -8.9852 -8.9852 -8.9849 -8.9849 -8.6794 -8.6794 -8.6707 -8.6707 0.6947 0.6947 0.7243 0.7243 1.4921 1.4921 1.4938 1.4938 1.9600 1.9600 2.0144 2.0144 2.5388 2.5388 2.5392 2.5392 3.4666 3.4666 3.4721 3.4721 3.8696 3.8696 3.9175 3.9175 4.8270 4.8270 5.0206 5.0206 5.0663 5.0663 5.1323 5.1323 5.4204 5.4204 5.4870 5.4870 5.7982 5.7982 5.8447 5.8447 7.1998 7.1998 7.2812 7.2812 12.8993 12.8993 12.9018 12.9018 13.4925 13.4925 13.5152 13.5152 k = 0.1585 0.3478 0.2078 ( 6764 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4785 -46.4785 -42.2960 -42.2960 -42.2937 -42.2937 -41.6039 -41.6039 -41.6024 -41.6024 -8.9817 -8.9817 -8.9814 -8.9814 -8.6764 -8.6764 -8.6670 -8.6670 0.6846 0.6846 0.7158 0.7158 1.4926 1.4926 1.4942 1.4942 1.9548 1.9548 2.0113 2.0113 2.5251 2.5251 2.5251 2.5251 3.4833 3.4833 3.4919 3.4919 3.8447 3.8447 3.8954 3.8954 4.8043 4.8043 5.0012 5.0012 5.0475 5.0475 5.1168 5.1168 5.4430 5.4430 5.5075 5.5075 5.7995 5.7995 5.8473 5.8473 7.2284 7.2284 7.3139 7.3139 12.9219 12.9219 12.9251 12.9251 13.5120 13.5120 13.5358 13.5358 k = 0.1707 0.3478 0.2078 ( 6766 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4785 -46.4785 -42.2961 -42.2961 -42.2936 -42.2936 -41.6040 -41.6040 -41.6024 -41.6024 -8.9781 -8.9781 -8.9778 -8.9778 -8.6732 -8.6732 -8.6632 -8.6632 0.6745 0.6745 0.7069 0.7069 1.4907 1.4907 1.4924 1.4924 1.9515 1.9515 2.0095 2.0095 2.5118 2.5118 2.5125 2.5125 3.4976 3.4976 3.5099 3.5099 3.8217 3.8217 3.8754 3.8754 4.7806 4.7806 4.9782 4.9782 5.0302 5.0302 5.1007 5.1007 5.4666 5.4666 5.5287 5.5287 5.8010 5.8010 5.8495 5.8495 7.2580 7.2580 7.3472 7.3472 12.9439 12.9439 12.9480 12.9480 13.5308 13.5308 13.5556 13.5556 k = 0.1829 0.3478 0.2078 ( 6768 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4785 -46.4785 -42.2962 -42.2962 -42.2936 -42.2936 -41.6041 -41.6041 -41.6024 -41.6024 -8.9743 -8.9743 -8.9740 -8.9740 -8.6699 -8.6699 -8.6592 -8.6592 0.6641 0.6641 0.6978 0.6978 1.4862 1.4862 1.4882 1.4882 1.9503 1.9503 2.0090 2.0090 2.4994 2.4994 2.5011 2.5011 3.5087 3.5087 3.5249 3.5249 3.8018 3.8018 3.8583 3.8583 4.7564 4.7564 4.9531 4.9531 5.0136 5.0136 5.0841 5.0841 5.4907 5.4907 5.5502 5.5502 5.8029 5.8029 5.8515 5.8515 7.2883 7.2883 7.3809 7.3809 12.9651 12.9651 12.9702 12.9702 13.5486 13.5486 13.5741 13.5741 k = 0.1951 0.3478 0.2078 ( 6774 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4785 -46.4785 -42.2963 -42.2963 -42.2935 -42.2935 -41.6042 -41.6042 -41.6024 -41.6024 -8.9704 -8.9704 -8.9701 -8.9701 -8.6664 -8.6664 -8.6551 -8.6551 0.6537 0.6537 0.6884 0.6884 1.4790 1.4790 1.4817 1.4817 1.9513 1.9513 2.0098 2.0098 2.4882 2.4882 2.4910 2.4910 3.5158 3.5158 3.5359 3.5359 3.7860 3.7860 3.8448 3.8448 4.7319 4.7319 4.9270 4.9270 4.9970 4.9970 5.0671 5.0671 5.5149 5.5149 5.5716 5.5716 5.8052 5.8052 5.8534 5.8534 7.3190 7.3190 7.4146 7.4146 12.9849 12.9849 12.9913 12.9913 13.5649 13.5649 13.5910 13.5910 k = 0.2073 0.3478 0.2078 ( 6776 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4785 -46.4785 -42.2964 -42.2964 -42.2934 -42.2934 -41.6043 -41.6043 -41.6024 -41.6024 -8.9663 -8.9663 -8.9660 -8.9660 -8.6628 -8.6628 -8.6509 -8.6509 0.6432 0.6432 0.6789 0.6789 1.4691 1.4691 1.4728 1.4728 1.9542 1.9542 2.0118 2.0118 2.4782 2.4782 2.4824 2.4824 3.5182 3.5182 3.5415 3.5415 3.7757 3.7757 3.8359 3.8359 4.7075 4.7075 4.9007 4.9007 4.9802 4.9802 5.0496 5.0496 5.5389 5.5389 5.5925 5.5925 5.8082 5.8082 5.8553 5.8553 7.3500 7.3500 7.4484 7.4484 13.0029 13.0029 13.0107 13.0107 13.5796 13.5796 13.6060 13.6060 k = 0.2195 0.3478 0.2078 ( 6780 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4785 -46.4785 -42.2965 -42.2965 -42.2934 -42.2934 -41.6044 -41.6044 -41.6024 -41.6024 -8.9622 -8.9622 -8.9619 -8.9619 -8.6591 -8.6591 -8.6465 -8.6465 0.6328 0.6328 0.6692 0.6692 1.4570 1.4570 1.4617 1.4617 1.9587 1.9587 2.0147 2.0147 2.4697 2.4697 2.4755 2.4755 3.5156 3.5156 3.5407 3.5407 3.7719 3.7719 3.8317 3.8317 4.6835 4.6835 4.8747 4.8747 4.9631 4.9631 5.0316 5.0316 5.5622 5.5622 5.6126 5.6126 5.8120 5.8120 5.8574 5.8574 7.3811 7.3811 7.4819 7.4819 13.0188 13.0188 13.0282 13.0282 13.5925 13.5925 13.6189 13.6189 k = 0.2317 0.3478 0.2078 ( 6786 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4785 -46.4785 -42.2965 -42.2965 -42.2933 -42.2933 -41.6045 -41.6045 -41.6024 -41.6024 -8.9580 -8.9580 -8.9577 -8.9577 -8.6552 -8.6552 -8.6421 -8.6421 0.6223 0.6223 0.6594 0.6594 1.4428 1.4428 1.4487 1.4487 1.9644 1.9644 2.0183 2.0183 2.4629 2.4629 2.4706 2.4706 3.5081 3.5081 3.5336 3.5336 3.7746 3.7746 3.8323 3.8323 4.6602 4.6602 4.8491 4.8491 4.9456 4.9456 5.0133 5.0133 5.5845 5.5845 5.6314 5.6314 5.8169 5.8169 5.8597 5.8597 7.4120 7.4120 7.5152 7.5152 13.0322 13.0322 13.0433 13.0433 13.6034 13.6034 13.6296 13.6296 k = 0.2439 0.3478 0.2078 ( 6784 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4785 -46.4785 -42.2966 -42.2966 -42.2933 -42.2933 -41.6046 -41.6046 -41.6024 -41.6024 -8.9538 -8.9538 -8.9535 -8.9535 -8.6514 -8.6514 -8.6377 -8.6377 0.6118 0.6118 0.6495 0.6495 1.4271 1.4271 1.4341 1.4341 1.9706 1.9706 2.0219 2.0219 2.4581 2.4581 2.4680 2.4680 3.4960 3.4960 3.5211 3.5211 3.7830 3.7830 3.8371 3.8371 4.6376 4.6376 4.8242 4.8242 4.9278 4.9278 4.9946 4.9946 5.6056 5.6056 5.6485 5.6485 5.8232 5.8232 5.8626 5.8626 7.4428 7.4428 7.5479 7.5479 13.0427 13.0427 13.0557 13.0557 13.6125 13.6125 13.6383 13.6383 k = 0.2561 0.3478 0.2078 ( 6784 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4785 -46.4785 -42.2967 -42.2967 -42.2932 -42.2932 -41.6047 -41.6047 -41.6025 -41.6025 -8.9496 -8.9496 -8.9493 -8.9493 -8.6474 -8.6474 -8.6332 -8.6332 0.6014 0.6014 0.6396 0.6396 1.4102 1.4102 1.4183 1.4183 1.9768 1.9768 2.0252 2.0252 2.4557 2.4557 2.4678 2.4678 3.4803 3.4803 3.5044 3.5044 3.7956 3.7956 3.8454 3.8454 4.6160 4.6160 4.8000 4.8000 4.9099 4.9099 4.9756 4.9756 5.6252 5.6252 5.6636 5.6636 5.8311 5.8311 5.8662 5.8662 7.4732 7.4732 7.5800 7.5800 13.0501 13.0501 13.0651 13.0651 13.6199 13.6199 13.6449 13.6449 k = 0.2683 0.3478 0.2078 ( 6786 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2968 -42.2968 -42.2932 -42.2932 -41.6048 -41.6048 -41.6025 -41.6025 -8.9454 -8.9454 -8.9450 -8.9450 -8.6435 -8.6435 -8.6288 -8.6288 0.5911 0.5911 0.6296 0.6296 1.3926 1.3926 1.4016 1.4016 1.9824 1.9824 2.0276 2.0276 2.4559 2.4559 2.4704 2.4704 3.4616 3.4616 3.4847 3.4847 3.8112 3.8112 3.8564 3.8564 4.5953 4.5953 4.7765 4.7765 4.8920 4.8920 4.9564 4.9564 5.6429 5.6429 5.6764 5.6764 5.8407 5.8407 5.8707 5.8707 7.5030 7.5030 7.6114 7.6114 13.0541 13.0541 13.0714 13.0714 13.6257 13.6257 13.6498 13.6498 k = 0.2805 0.3478 0.2078 ( 6782 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2968 -42.2968 -42.2931 -42.2931 -41.6049 -41.6049 -41.6025 -41.6025 -8.9412 -8.9412 -8.9408 -8.9408 -8.6396 -8.6396 -8.6244 -8.6244 0.5809 0.5809 0.6196 0.6196 1.3746 1.3746 1.3845 1.3845 1.9868 1.9868 2.0289 2.0289 2.4590 2.4590 2.4759 2.4759 3.4407 3.4407 3.4631 3.4631 3.8290 3.8290 3.8695 3.8695 4.5757 4.5757 4.7537 4.7537 4.8743 4.8743 4.9371 4.9371 5.6587 5.6587 5.6870 5.6870 5.8520 5.8520 5.8764 5.8764 7.5322 7.5322 7.6419 7.6419 13.0547 13.0547 13.0742 13.0742 13.6302 13.6302 13.6532 13.6532 k = 0.2927 0.3478 0.2078 ( 6778 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2969 -42.2969 -42.2931 -42.2931 -41.6050 -41.6050 -41.6025 -41.6025 -8.9370 -8.9370 -8.9367 -8.9367 -8.6357 -8.6357 -8.6200 -8.6200 0.5708 0.5708 0.6097 0.6097 1.3567 1.3567 1.3671 1.3671 1.9898 1.9898 2.0286 2.0286 2.4653 2.4653 2.4845 2.4845 3.4179 3.4179 3.4400 3.4400 3.8483 3.8483 3.8842 3.8842 4.5571 4.5571 4.7313 4.7313 4.8570 4.8570 4.9178 4.9178 5.6722 5.6722 5.6954 5.6954 5.8649 5.8649 5.8833 5.8833 7.5605 7.5605 7.6715 7.6715 13.0518 13.0518 13.0736 13.0736 13.6338 13.6338 13.6555 13.6555 k = 0.3049 0.3478 0.2078 ( 6778 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2970 -42.2970 -42.2930 -42.2930 -41.6051 -41.6051 -41.6026 -41.6026 -8.9330 -8.9330 -8.9327 -8.9327 -8.6319 -8.6319 -8.6157 -8.6157 0.5608 0.5608 0.5998 0.5998 1.3390 1.3390 1.3498 1.3498 1.9909 1.9909 2.0268 2.0268 2.4747 2.4747 2.4961 2.4961 3.3937 3.3937 3.4160 3.4160 3.8687 3.8687 3.9001 3.9001 4.5395 4.5395 4.7090 4.7090 4.8403 4.8403 4.8986 4.8986 5.6835 5.6835 5.7018 5.7018 5.8789 5.8789 5.8914 5.8914 7.5880 7.5880 7.7000 7.7000 13.0456 13.0456 13.0697 13.0697 13.6365 13.6365 13.6570 13.6570 k = 0.3171 0.3478 0.2078 ( 6784 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4785 -46.4785 -42.2970 -42.2970 -42.2930 -42.2930 -41.6052 -41.6052 -41.6026 -41.6026 -8.9290 -8.9290 -8.9288 -8.9288 -8.6281 -8.6281 -8.6116 -8.6116 0.5511 0.5511 0.5900 0.5900 1.3218 1.3218 1.3329 1.3329 1.9902 1.9902 2.0233 2.0233 2.4874 2.4874 2.5105 2.5105 3.3684 3.3684 3.3911 3.3911 3.8899 3.8899 3.9170 3.9170 4.5226 4.5226 4.6868 4.6868 4.8246 4.8246 4.8797 4.8797 5.6927 5.6927 5.7066 5.7066 5.8936 5.8936 5.9007 5.9007 7.6144 7.6144 7.7274 7.7274 13.0362 13.0362 13.0625 13.0625 13.6388 13.6388 13.6580 13.6580 k = 0.3293 0.3478 0.2078 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4785 -46.4785 -42.2971 -42.2971 -42.2930 -42.2930 -41.6053 -41.6053 -41.6026 -41.6026 -8.9252 -8.9252 -8.9250 -8.9250 -8.6245 -8.6245 -8.6075 -8.6075 0.5415 0.5415 0.5803 0.5803 1.3054 1.3054 1.3166 1.3166 1.9877 1.9877 2.0184 2.0184 2.5030 2.5030 2.5277 2.5277 3.3421 3.3421 3.3656 3.3656 3.9120 3.9120 3.9346 3.9346 4.5063 4.5063 4.6643 4.6643 4.8100 4.8100 4.8611 4.8611 5.6998 5.6998 5.7102 5.7102 5.9088 5.9088 5.9109 5.9109 7.6396 7.6396 7.7534 7.7534 13.0241 13.0241 13.0524 13.0524 13.6408 13.6408 13.6587 13.6587 k = 0.3415 0.3478 0.2078 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4786 -46.4786 -42.2972 -42.2972 -42.2929 -42.2929 -41.6054 -41.6054 -41.6026 -41.6026 -8.9216 -8.9216 -8.9213 -8.9213 -8.6210 -8.6210 -8.6036 -8.6036 0.5323 0.5323 0.5709 0.5709 1.2899 1.2899 1.3010 1.3010 1.9836 1.9836 2.0123 2.0123 2.5215 2.5215 2.5472 2.5472 3.3150 3.3150 3.3396 3.3396 3.9347 3.9347 3.9529 3.9529 4.4904 4.4904 4.6414 4.6414 4.7966 4.7966 4.8432 4.8432 5.7052 5.7052 5.7128 5.7128 5.9219 5.9219 5.9240 5.9240 7.6637 7.6637 7.7782 7.7782 13.0096 13.0096 13.0399 13.0399 13.6426 13.6426 13.6594 13.6594 k = 0.3537 0.3478 0.2078 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4786 -46.4786 -42.2972 -42.2972 -42.2929 -42.2929 -41.6055 -41.6055 -41.6027 -41.6027 -8.9181 -8.9181 -8.9179 -8.9179 -8.6176 -8.6176 -8.5999 -8.5999 0.5234 0.5234 0.5618 0.5618 1.2754 1.2754 1.2863 1.2863 1.9782 1.9782 2.0052 2.0052 2.5426 2.5426 2.5689 2.5689 3.2871 3.2871 3.3130 3.3130 3.9580 3.9580 3.9718 3.9718 4.4748 4.4748 4.6179 4.6179 4.7847 4.7847 4.8261 4.8261 5.7091 5.7091 5.7147 5.7147 5.9332 5.9332 5.9389 5.9389 7.6864 7.6864 7.8015 7.8015 12.9933 12.9933 13.0253 13.0253 13.6442 13.6442 13.6601 13.6601 k = 0.3659 0.3478 0.2078 ( 6798 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6056 -41.6056 -41.6027 -41.6027 -8.9148 -8.9148 -8.9146 -8.9146 -8.6144 -8.6144 -8.5964 -8.5964 0.5149 0.5149 0.5530 0.5530 1.2620 1.2620 1.2726 1.2726 1.9717 1.9717 1.9973 1.9973 2.5658 2.5658 2.5924 2.5924 3.2586 3.2586 3.2861 3.2861 3.9819 3.9819 3.9912 3.9912 4.4591 4.4591 4.5936 4.5936 4.7743 4.7743 4.8099 4.8099 5.7119 5.7119 5.7160 5.7160 5.9447 5.9447 5.9532 5.9532 7.7077 7.7077 7.8232 7.8232 12.9757 12.9757 13.0092 13.0092 13.6459 13.6459 13.6609 13.6609 k = 0.3780 0.3478 0.2078 ( 6802 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4786 -46.4786 -42.2973 -42.2973 -42.2928 -42.2928 -41.6056 -41.6056 -41.6027 -41.6027 -8.9117 -8.9117 -8.9115 -8.9115 -8.6115 -8.6115 -8.5931 -8.5931 0.5068 0.5068 0.5446 0.5446 1.2497 1.2497 1.2600 1.2600 1.9645 1.9645 1.9891 1.9891 2.5909 2.5909 2.6173 2.6173 3.2296 3.2296 3.2588 3.2588 4.0063 4.0063 4.0112 4.0112 4.4433 4.4433 4.5686 4.5686 4.7652 4.7652 4.7948 4.7948 5.7137 5.7137 5.7168 5.7168 5.9559 5.9559 5.9669 5.9669 7.7274 7.7274 7.8434 7.8434 12.9575 12.9575 12.9923 12.9923 13.6474 13.6474 13.6617 13.6617 k = 0.3902 0.3478 0.2078 ( 6808 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4786 -46.4786 -42.2973 -42.2973 -42.2928 -42.2928 -41.6057 -41.6057 -41.6027 -41.6027 -8.9089 -8.9089 -8.9087 -8.9087 -8.6087 -8.6087 -8.5901 -8.5901 0.4993 0.4993 0.5367 0.5367 1.2387 1.2387 1.2486 1.2486 1.9570 1.9570 1.9808 1.9808 2.6176 2.6176 2.6433 2.6433 3.2000 3.2000 3.2313 3.2313 4.0313 4.0313 4.0315 4.0315 4.4270 4.4270 4.5430 4.5430 4.7575 4.7575 4.7809 4.7809 5.7148 5.7148 5.7174 5.7174 5.9667 5.9667 5.9796 5.9796 7.7456 7.7456 7.8619 7.8619 12.9391 12.9391 12.9750 12.9750 13.6490 13.6490 13.6627 13.6627 k = 0.4024 0.3478 0.2078 ( 6818 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6058 -41.6058 -41.6027 -41.6027 -8.9063 -8.9063 -8.9062 -8.9062 -8.6062 -8.6062 -8.5873 -8.5873 0.4923 0.4923 0.5293 0.5293 1.2289 1.2289 1.2383 1.2383 1.9495 1.9495 1.9726 1.9726 2.6455 2.6455 2.6702 2.6702 3.1701 3.1701 3.2036 3.2036 4.0523 4.0523 4.0567 4.0567 4.4102 4.4102 4.5167 4.5167 4.7511 4.7511 4.7684 4.7684 5.7154 5.7154 5.7178 5.7178 5.9768 5.9768 5.9913 5.9913 7.7620 7.7620 7.8787 7.8787 12.9211 12.9211 12.9580 12.9580 13.6504 13.6504 13.6638 13.6638 k = 0.4146 0.3478 0.2078 ( 6822 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6058 -41.6058 -41.6028 -41.6028 -8.9040 -8.9040 -8.9039 -8.9039 -8.6039 -8.6039 -8.5849 -8.5849 0.4860 0.4860 0.5226 0.5226 1.2204 1.2204 1.2293 1.2293 1.9421 1.9421 1.9648 1.9648 2.6744 2.6744 2.6976 2.6976 3.1398 3.1398 3.1759 3.1759 4.0734 4.0734 4.0826 4.0826 4.3928 4.3928 4.4898 4.4898 4.7457 4.7457 4.7574 4.7574 5.7156 5.7156 5.7180 5.7180 5.9861 5.9861 6.0019 6.0019 7.7767 7.7767 7.8936 7.8936 12.9041 12.9041 12.9417 12.9417 13.6517 13.6517 13.6648 13.6648 k = 0.4268 0.3478 0.2078 ( 6820 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9020 -8.9020 -8.9018 -8.9018 -8.6019 -8.6019 -8.5827 -8.5827 0.4803 0.4803 0.5167 0.5167 1.2131 1.2131 1.2215 1.2215 1.9353 1.9353 1.9577 1.9577 2.7040 2.7040 2.7250 2.7250 3.1094 3.1094 3.1484 3.1484 4.0947 4.0947 4.1088 4.1088 4.3748 4.3748 4.4626 4.4626 4.7414 4.7414 4.7479 4.7479 5.7157 5.7157 5.7181 5.7181 5.9945 5.9945 6.0113 6.0113 7.7896 7.7896 7.9067 7.9067 12.8883 12.8883 12.9265 12.9265 13.6530 13.6530 13.6659 13.6659 k = 0.4390 0.3478 0.2078 ( 6822 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9002 -8.9002 -8.9001 -8.9001 -8.6002 -8.6002 -8.5808 -8.5808 0.4755 0.4755 0.5115 0.5115 1.2069 1.2069 1.2149 1.2149 1.9291 1.9291 1.9513 1.9513 2.7339 2.7339 2.7521 2.7521 3.0789 3.0789 3.1215 3.1215 4.1161 4.1161 4.1352 4.1352 4.3563 4.3563 4.4353 4.4353 4.7380 4.7380 4.7399 4.7399 5.7155 5.7155 5.7182 5.7182 6.0017 6.0017 6.0194 6.0194 7.8006 7.8006 7.9179 7.9179 12.8744 12.8744 12.9131 12.9131 13.6540 13.6540 13.6668 13.6668 k = 0.4512 0.3478 0.2078 ( 6820 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.8988 -8.8988 -8.8987 -8.8987 -8.5987 -8.5987 -8.5792 -8.5792 0.4714 0.4714 0.5072 0.5072 1.2020 1.2020 1.2096 1.2096 1.9238 1.9238 1.9459 1.9459 2.7637 2.7637 2.7782 2.7782 3.0488 3.0488 3.0957 3.0957 4.1371 4.1371 4.1617 4.1617 4.3376 4.3376 4.4081 4.4081 4.7335 4.7335 4.7353 4.7353 5.7154 5.7154 5.7182 5.7182 6.0078 6.0078 6.0261 6.0261 7.8097 7.8097 7.9271 7.9271 12.8625 12.8625 12.9016 12.9016 13.6549 13.6549 13.6676 13.6676 k = 0.4634 0.3478 0.2078 ( 6816 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.8977 -8.8977 -8.8975 -8.8975 -8.5976 -8.5976 -8.5780 -8.5780 0.4682 0.4682 0.5038 0.5038 1.1981 1.1981 1.2054 1.2054 1.9195 1.9195 1.9415 1.9415 2.7927 2.7927 2.8023 2.8023 3.0197 3.0197 3.0719 3.0719 4.1574 4.1574 4.1876 4.1876 4.3192 4.3192 4.3814 4.3814 4.7286 4.7286 4.7333 4.7333 5.7152 5.7152 5.7182 5.7182 6.0126 6.0126 6.0313 6.0313 7.8169 7.8169 7.9343 7.9343 12.8529 12.8529 12.8923 12.8923 13.6556 13.6556 13.6683 13.6683 k = 0.4756 0.3478 0.2078 ( 6814 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8969 -8.8969 -8.8967 -8.8967 -8.5968 -8.5968 -8.5771 -8.5771 0.4659 0.4659 0.5013 0.5013 1.1954 1.1954 1.2025 1.2025 1.9164 1.9164 1.9383 1.9383 2.8196 2.8196 2.8228 2.8228 2.9928 2.9928 3.0517 3.0517 4.1757 4.1757 4.2120 4.2120 4.3021 4.3021 4.3565 4.3565 4.7251 4.7251 4.7320 4.7320 5.7150 5.7150 5.7182 5.7182 6.0161 6.0161 6.0351 6.0351 7.8220 7.8220 7.9394 7.9394 12.8460 12.8460 12.8855 12.8855 13.6562 13.6562 13.6688 13.6688 k = 0.4878 0.3478 0.2078 ( 6804 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8964 -8.8964 -8.8963 -8.8963 -8.5963 -8.5963 -8.5766 -8.5766 0.4645 0.4645 0.4998 0.4998 1.1938 1.1938 1.2007 1.2007 1.9145 1.9145 1.9364 1.9364 2.8371 2.8371 2.8410 2.8410 2.9714 2.9714 3.0376 3.0376 4.1900 4.1900 4.2322 4.2322 4.2886 4.2886 4.3360 4.3360 4.7230 4.7230 4.7312 4.7312 5.7149 5.7149 5.7182 5.7182 6.0182 6.0182 6.0374 6.0374 7.8251 7.8251 7.9426 7.9426 12.8417 12.8417 12.8814 12.8814 13.6565 13.6565 13.6691 13.6691 k = 0.5000 0.3478 0.2078 ( 6812 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8962 -8.8962 -8.8961 -8.8961 -8.5962 -8.5962 -8.5764 -8.5764 0.4640 0.4640 0.4993 0.4993 1.1932 1.1932 1.2001 1.2001 1.9138 1.9138 1.9357 1.9357 2.8424 2.8424 2.8499 2.8499 2.9624 2.9624 3.0324 3.0324 4.1957 4.1957 4.2411 4.2411 4.2831 4.2831 4.3270 4.3270 4.7223 4.7223 4.7309 4.7309 5.7149 5.7149 5.7182 5.7182 6.0189 6.0189 6.0382 6.0382 7.8261 7.8261 7.9436 7.9436 12.8403 12.8403 12.8800 12.8800 13.6566 13.6566 13.6692 13.6692 k = 0.5000 0.3478 0.2078 ( 6812 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8962 -8.8962 -8.8961 -8.8961 -8.5962 -8.5962 -8.5764 -8.5764 0.4640 0.4640 0.4993 0.4993 1.1932 1.1932 1.2001 1.2001 1.9138 1.9138 1.9357 1.9357 2.8424 2.8424 2.8499 2.8499 2.9624 2.9624 3.0324 3.0324 4.1957 4.1957 4.2411 4.2411 4.2831 4.2831 4.3270 4.3270 4.7223 4.7223 4.7309 4.7309 5.7149 5.7149 5.7182 5.7182 6.0189 6.0189 6.0382 6.0382 7.8261 7.8261 7.9436 7.9436 12.8403 12.8403 12.8800 12.8800 13.6566 13.6566 13.6692 13.6692 k = 0.5000 0.3537 0.1980 ( 6804 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8963 -8.8963 -8.8962 -8.8962 -8.5960 -8.5960 -8.5763 -8.5763 0.4640 0.4640 0.4992 0.4992 1.1925 1.1925 1.1992 1.1992 1.9153 1.9153 1.9371 1.9371 2.8305 2.8305 2.8404 2.8404 2.9739 2.9739 3.0416 3.0416 4.1908 4.1908 4.2459 4.2459 4.2785 4.2785 4.3311 4.3311 4.7232 4.7232 4.7322 4.7322 5.7153 5.7153 5.7185 5.7185 6.0190 6.0190 6.0383 6.0383 7.8251 7.8251 7.9426 7.9426 12.8333 12.8333 12.8729 12.8729 13.6576 13.6576 13.6707 13.6707 k = 0.5000 0.3595 0.1883 ( 6802 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8967 -8.8967 -8.8966 -8.8966 -8.5955 -8.5955 -8.5759 -8.5759 0.4640 0.4640 0.4991 0.4991 1.1902 1.1902 1.1966 1.1966 1.9197 1.9197 1.9411 1.9411 2.8029 2.8029 2.8160 2.8160 3.0004 3.0004 3.0649 3.0649 4.1793 4.1793 4.2569 4.2569 4.2678 4.2678 4.3404 4.3404 4.7259 4.7259 4.7359 4.7359 5.7163 5.7163 5.7192 5.7192 6.0193 6.0193 6.0388 6.0388 7.8222 7.8222 7.9396 7.9396 12.8129 12.8129 12.8520 12.8520 13.6602 13.6602 13.6744 13.6744 k = 0.5000 0.3653 0.1785 ( 6808 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8974 -8.8974 -8.8972 -8.8972 -8.5948 -8.5948 -8.5752 -8.5752 0.4640 0.4640 0.4990 0.4990 1.1865 1.1865 1.1923 1.1923 1.9269 1.9269 1.9477 1.9477 2.7690 2.7690 2.7836 2.7836 3.0324 3.0324 3.0956 3.0956 4.1651 4.1651 4.2541 4.2541 4.2704 4.2704 4.3518 4.3518 4.7303 4.7303 4.7418 4.7418 5.7180 5.7180 5.7204 5.7204 6.0197 6.0197 6.0397 6.0397 7.8174 7.8174 7.9345 7.9345 12.7804 12.7804 12.8189 12.8189 13.6630 13.6630 13.6789 13.6789 k = 0.5000 0.3712 0.1688 ( 6820 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.8983 -8.8983 -8.8981 -8.8981 -8.5937 -8.5937 -8.5743 -8.5743 0.4640 0.4640 0.4987 0.4987 1.1816 1.1816 1.1866 1.1866 1.9364 1.9364 1.9564 1.9564 2.7325 2.7325 2.7473 2.7473 3.0661 3.0661 3.1295 3.1295 4.1497 4.1497 4.2388 4.2388 4.2851 4.2851 4.3642 4.3642 4.7363 4.7363 4.7500 4.7500 5.7202 5.7202 5.7219 5.7219 6.0203 6.0203 6.0408 6.0408 7.8108 7.8108 7.9276 7.9276 12.7379 12.7379 12.7754 12.7754 13.6643 13.6643 13.6823 13.6823 k = 0.5000 0.3770 0.1590 ( 6824 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6029 -41.6029 -8.8994 -8.8994 -8.8992 -8.8992 -8.5924 -8.5924 -8.5731 -8.5731 0.4641 0.4641 0.4984 0.4984 1.1759 1.1759 1.1799 1.1799 1.9479 1.9479 1.9670 1.9670 2.6950 2.6950 2.7090 2.7090 3.1001 3.1001 3.1645 3.1645 4.1336 4.1336 4.2227 4.2227 4.3007 4.3007 4.3772 4.3772 4.7439 4.7439 4.7602 4.7602 5.7230 5.7230 5.7237 5.7237 6.0212 6.0212 6.0423 6.0423 7.8026 7.8026 7.9190 7.9190 12.6873 12.6873 12.7238 12.7238 13.6628 13.6628 13.6829 13.6829 k = 0.5000 0.3828 0.1492 ( 6824 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9008 -8.9008 -8.9005 -8.9005 -8.5907 -8.5907 -8.5718 -8.5718 0.4642 0.4642 0.4981 0.4981 1.1695 1.1695 1.1724 1.1724 1.9610 1.9610 1.9789 1.9789 2.6571 2.6571 2.6700 2.6700 3.1336 3.1336 3.1994 3.1994 4.1173 4.1173 4.2059 4.2059 4.3172 4.3172 4.3909 4.3909 4.7529 4.7529 4.7722 4.7722 5.7258 5.7258 5.7260 5.7260 6.0222 6.0222 6.0441 6.0441 7.7928 7.7928 7.9087 7.9087 12.6306 12.6306 12.6659 12.6659 13.6573 13.6573 13.6793 13.6793 k = 0.5000 0.3887 0.1395 ( 6826 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9023 -8.9023 -8.9019 -8.9019 -8.5889 -8.5889 -8.5702 -8.5702 0.4644 0.4644 0.4978 0.4978 1.1628 1.1628 1.1644 1.1644 1.9752 1.9752 1.9918 1.9918 2.6193 2.6193 2.6308 2.6308 3.1661 3.1661 3.2337 3.2337 4.1008 4.1008 4.1888 4.1888 4.3345 4.3345 4.4053 4.4053 4.7631 4.7631 4.7859 4.7859 5.7279 5.7279 5.7293 5.7293 6.0234 6.0234 6.0462 6.0462 7.7817 7.7817 7.8970 7.8970 12.5693 12.5693 12.6033 12.6033 13.6475 13.6475 13.6711 13.6711 k = 0.5000 0.3945 0.1297 ( 6816 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9041 -8.9041 -8.9036 -8.9036 -8.5868 -8.5868 -8.5684 -8.5684 0.4647 0.4647 0.4976 0.4976 1.1561 1.1561 1.1564 1.1564 1.9898 1.9898 2.0050 2.0050 2.5819 2.5819 2.5920 2.5920 3.1973 3.1973 3.2666 3.2666 4.0846 4.0846 4.1716 4.1716 4.3528 4.3528 4.4204 4.4204 4.7746 4.7746 4.8010 4.8010 5.7301 5.7301 5.7326 5.7326 6.0247 6.0247 6.0485 6.0485 7.7694 7.7694 7.8841 7.8841 12.5048 12.5048 12.5375 12.5375 13.6335 13.6335 13.6581 13.6581 k = 0.5000 0.4003 0.1200 ( 6824 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9060 -8.9060 -8.9055 -8.9055 -8.5845 -8.5845 -8.5664 -8.5664 0.4651 0.4651 0.4974 0.4974 1.1486 1.1486 1.1497 1.1497 2.0044 2.0044 2.0180 2.0180 2.5451 2.5451 2.5538 2.5538 3.2270 3.2270 3.2979 3.2979 4.0689 4.0689 4.1548 4.1548 4.3721 4.3721 4.4364 4.4364 4.7870 4.7870 4.8174 4.8174 5.7320 5.7320 5.7357 5.7357 6.0262 6.0262 6.0510 6.0510 7.7562 7.7562 7.8700 7.8700 12.4383 12.4383 12.4695 12.4695 13.6156 13.6156 13.6407 13.6407 k = 0.5000 0.4061 0.1102 ( 6824 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6059 -41.6059 -41.6029 -41.6029 -8.9080 -8.9080 -8.9075 -8.9075 -8.5820 -8.5820 -8.5643 -8.5643 0.4658 0.4658 0.4973 0.4973 1.1413 1.1413 1.1439 1.1439 2.0183 2.0183 2.0301 2.0301 2.5094 2.5094 2.5168 2.5168 3.2547 3.2547 3.3271 3.3271 4.0539 4.0539 4.1384 4.1384 4.3925 4.3925 4.4531 4.4531 4.8005 4.8005 4.8350 4.8350 5.7338 5.7338 5.7386 5.7386 6.0277 6.0277 6.0536 6.0536 7.7423 7.7423 7.8552 7.8552 12.3706 12.3706 12.4004 12.4004 13.5944 13.5944 13.6196 13.6196 k = 0.5000 0.4120 0.1004 ( 6826 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6058 -41.6058 -41.6030 -41.6030 -8.9102 -8.9102 -8.9096 -8.9096 -8.5794 -8.5794 -8.5621 -8.5621 0.4666 0.4666 0.4974 0.4974 1.1346 1.1346 1.1387 1.1387 2.0310 2.0310 2.0407 2.0407 2.4749 2.4749 2.4812 2.4812 3.2803 3.2803 3.3537 3.3537 4.0400 4.0400 4.1229 4.1229 4.4140 4.4140 4.4706 4.4706 4.8149 4.8149 4.8537 4.8537 5.7351 5.7351 5.7411 5.7411 6.0293 6.0293 6.0562 6.0562 7.7280 7.7280 7.8399 7.8399 12.3026 12.3026 12.3308 12.3308 13.5707 13.5707 13.5955 13.5955 k = 0.5000 0.4120 0.1004 ( 6826 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6058 -41.6058 -41.6030 -41.6030 -8.9102 -8.9102 -8.9096 -8.9096 -8.5794 -8.5794 -8.5621 -8.5621 0.4666 0.4666 0.4974 0.4974 1.1346 1.1346 1.1387 1.1387 2.0310 2.0310 2.0407 2.0407 2.4749 2.4749 2.4812 2.4812 3.2803 3.2803 3.3537 3.3537 4.0400 4.0400 4.1229 4.1229 4.4140 4.4140 4.4706 4.4706 4.8149 4.8149 4.8537 4.8537 5.7351 5.7351 5.7411 5.7411 6.0293 6.0293 6.0562 6.0562 7.7280 7.7280 7.8399 7.8399 12.3026 12.3026 12.3308 12.3308 13.5707 13.5707 13.5955 13.5955 k = 0.5000 0.4084 0.0889 ( 6818 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4787 -46.4787 -42.2972 -42.2972 -42.2930 -42.2930 -41.6058 -41.6058 -41.6030 -41.6030 -8.9132 -8.9132 -8.9124 -8.9124 -8.5755 -8.5755 -8.5589 -8.5589 0.4759 0.4759 0.5053 0.5053 1.1265 1.1265 1.1332 1.1332 2.0220 2.0220 2.0283 2.0283 2.4212 2.4212 2.4260 2.4260 3.3198 3.3198 3.3941 3.3941 4.0373 4.0373 4.1203 4.1203 4.4549 4.4549 4.5018 4.5018 4.8395 4.8395 4.8866 4.8866 5.7294 5.7294 5.7340 5.7340 6.0239 6.0239 6.0514 6.0514 7.7236 7.7236 7.8324 7.8324 12.2339 12.2339 12.2613 12.2613 13.5306 13.5306 13.5549 13.5549 k = 0.5000 0.4048 0.0774 ( 6814 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4787 -46.4787 -42.2971 -42.2971 -42.2931 -42.2931 -41.6057 -41.6057 -41.6031 -41.6031 -8.9163 -8.9163 -8.9155 -8.9155 -8.5714 -8.5714 -8.5555 -8.5555 0.4865 0.4865 0.5145 0.5145 1.1193 1.1193 1.1287 1.1287 2.0079 2.0079 2.0102 2.0102 2.3720 2.3720 2.3760 2.3760 3.3533 3.3533 3.4268 3.4268 4.0416 4.0416 4.1226 4.1226 4.4952 4.4952 4.5325 4.5325 4.8670 4.8670 4.9226 4.9226 5.7231 5.7231 5.7260 5.7260 6.0177 6.0177 6.0455 6.0455 7.7193 7.7193 7.8247 7.8247 12.1662 12.1662 12.1927 12.1927 13.4865 13.4865 13.5099 13.5099 k = 0.5000 0.4013 0.0658 ( 6822 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4787 -46.4787 -42.2971 -42.2971 -42.2931 -42.2931 -41.6057 -41.6057 -41.6031 -41.6031 -8.9196 -8.9196 -8.9187 -8.9187 -8.5671 -8.5671 -8.5519 -8.5519 0.4984 0.4984 0.5247 0.5247 1.1129 1.1129 1.1253 1.1253 1.9853 1.9853 1.9877 1.9877 2.3286 2.3286 2.3328 2.3328 3.3803 3.3803 3.4510 3.4510 4.0540 4.0540 4.1308 4.1308 4.5338 4.5338 4.5620 4.5620 4.8972 4.8972 4.9612 4.9612 5.7161 5.7161 5.7172 5.7172 6.0105 6.0105 6.0386 6.0386 7.7155 7.7155 7.8170 7.8170 12.1001 12.1001 12.1255 12.1255 13.4396 13.4396 13.4617 13.4617 k = 0.5000 0.3977 0.0543 ( 6820 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4787 -46.4787 -42.2970 -42.2970 -42.2932 -42.2932 -41.6056 -41.6056 -41.6032 -41.6032 -8.9229 -8.9229 -8.9219 -8.9219 -8.5627 -8.5627 -8.5483 -8.5483 0.5114 0.5114 0.5358 0.5358 1.1077 1.1077 1.1232 1.1232 1.9531 1.9531 1.9607 1.9607 2.2922 2.2922 2.2972 2.2972 3.4009 3.4009 3.4668 3.4668 4.0744 4.0744 4.1450 4.1450 4.5702 4.5702 4.5904 4.5904 4.9299 4.9299 5.0016 5.0016 5.7075 5.7075 5.7087 5.7087 6.0026 6.0026 6.0308 6.0308 7.7120 7.7120 7.8093 7.8093 12.0361 12.0361 12.0604 12.0604 13.3909 13.3909 13.4116 13.4116 k = 0.5000 0.3942 0.0427 ( 6816 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4796 -46.4796 -46.4787 -46.4787 -42.2969 -42.2969 -42.2933 -42.2933 -41.6056 -41.6056 -41.6032 -41.6032 -8.9262 -8.9262 -8.9252 -8.9252 -8.5582 -8.5582 -8.5447 -8.5447 0.5254 0.5254 0.5478 0.5478 1.1039 1.1039 1.1226 1.1226 1.9140 1.9140 1.9269 1.9269 2.2631 2.2631 2.2690 2.2690 3.4152 3.4152 3.4750 3.4750 4.1022 4.1022 4.1651 4.1651 4.6039 4.6039 4.6173 4.6173 4.9646 4.9646 5.0430 5.0430 5.6970 5.6970 5.7009 5.7009 5.9939 5.9939 6.0221 6.0221 7.7092 7.7092 7.8017 7.8017 11.9748 11.9748 11.9979 11.9979 13.3412 13.3412 13.3604 13.3604 k = 0.5000 0.3906 0.0312 ( 6810 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4788 -46.4788 -42.2968 -42.2968 -42.2934 -42.2934 -41.6055 -41.6055 -41.6033 -41.6033 -8.9295 -8.9295 -8.9284 -8.9284 -8.5538 -8.5538 -8.5412 -8.5412 0.5402 0.5402 0.5603 0.5603 1.1015 1.1015 1.1236 1.1236 1.8692 1.8692 1.8871 1.8871 2.2407 2.2407 2.2474 2.2474 3.4241 3.4241 3.4770 3.4770 4.1357 4.1357 4.1901 4.1901 4.6347 4.6347 4.6427 4.6427 5.0008 5.0008 5.0847 5.0847 5.6857 5.6857 5.6927 5.6927 5.9845 5.9845 6.0126 6.0126 7.7069 7.7069 7.7944 7.7944 11.9165 11.9165 11.9384 11.9384 13.2915 13.2915 13.3090 13.3090 k = 0.5000 0.3870 0.0196 ( 6800 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4788 -46.4788 -42.2966 -42.2966 -42.2936 -42.2936 -41.6054 -41.6054 -41.6034 -41.6034 -8.9326 -8.9326 -8.9316 -8.9316 -8.5494 -8.5494 -8.5378 -8.5378 0.5554 0.5554 0.5733 0.5733 1.1008 1.1008 1.1264 1.1264 1.8203 1.8203 1.8428 1.8428 2.2239 2.2239 2.2310 2.2310 3.4284 3.4284 3.4744 3.4744 4.1733 4.1733 4.2191 4.2191 4.6626 4.6626 4.6665 4.6665 5.0380 5.0380 5.1260 5.1260 5.6739 5.6739 5.6841 5.6841 5.9747 5.9747 6.0023 6.0023 7.7053 7.7053 7.7873 7.7873 11.8618 11.8618 11.8822 11.8822 13.2423 13.2423 13.2582 13.2582 k = 0.5000 0.3835 0.0081 ( 6794 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4788 -46.4788 -42.2965 -42.2965 -42.2937 -42.2937 -41.6053 -41.6053 -41.6035 -41.6035 -8.9357 -8.9357 -8.9346 -8.9346 -8.5452 -8.5452 -8.5346 -8.5346 0.5708 0.5708 0.5863 0.5863 1.1022 1.1022 1.1312 1.1312 1.7690 1.7690 1.7954 1.7954 2.2112 2.2112 2.2185 2.2185 3.4293 3.4293 3.4685 3.4685 4.2132 4.2132 4.2508 4.2508 4.6875 4.6875 4.6886 4.6886 5.0754 5.0754 5.1662 5.1662 5.6617 5.6617 5.6754 5.6754 5.9644 5.9644 5.9913 5.9913 7.7044 7.7044 7.7805 7.7805 11.8109 11.8109 11.8298 11.8298 13.1946 13.1946 13.2089 13.2089 k = 0.5000 0.3799-0.0035 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4788 -46.4788 -42.2964 -42.2964 -42.2938 -42.2938 -41.6052 -41.6052 -41.6035 -41.6035 -8.9385 -8.9385 -8.9375 -8.9375 -8.5412 -8.5412 -8.5315 -8.5315 0.5862 0.5862 0.5993 0.5993 1.1058 1.1058 1.1383 1.1383 1.7164 1.7164 1.7464 1.7464 2.2017 2.2017 2.2088 2.2088 3.4275 3.4275 3.4607 3.4607 4.2539 4.2539 4.2840 4.2840 4.7090 4.7090 4.7095 4.7095 5.1125 5.1125 5.2044 5.2044 5.6492 5.6492 5.6666 5.6666 5.9539 5.9539 5.9799 5.9799 7.7042 7.7042 7.7740 7.7740 11.7641 11.7641 11.7814 11.7814 13.1489 13.1489 13.1616 13.1616 k = 0.5000 0.3763-0.0150 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4789 -46.4789 -42.2963 -42.2963 -42.2939 -42.2939 -41.6052 -41.6052 -41.6036 -41.6036 -8.9411 -8.9411 -8.9402 -8.9402 -8.5374 -8.5374 -8.5288 -8.5288 0.6011 0.6011 0.6118 0.6118 1.1119 1.1119 1.1477 1.1477 1.6637 1.6637 1.6968 1.6968 2.1945 2.1945 2.2012 2.2012 3.4241 3.4241 3.4518 3.4518 4.2942 4.2942 4.3176 4.3176 4.7274 4.7274 4.7288 4.7288 5.1486 5.1486 5.2401 5.2401 5.6369 5.6369 5.6578 5.6578 5.9433 5.9433 5.9680 5.9680 7.7048 7.7048 7.7679 7.7679 11.7217 11.7217 11.7373 11.7373 13.1059 13.1059 13.1170 13.1170 k = 0.5000 0.3728-0.0265 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4789 -46.4789 -42.2961 -42.2961 -42.2941 -42.2941 -41.6051 -41.6051 -41.6037 -41.6037 -8.9435 -8.9435 -8.9426 -8.9426 -8.5339 -8.5339 -8.5263 -8.5263 0.6153 0.6153 0.6237 0.6237 1.1209 1.1209 1.1598 1.1598 1.6115 1.6115 1.6475 1.6475 2.1890 2.1890 2.1951 2.1951 3.4198 3.4198 3.4427 3.4427 4.3328 4.3328 4.3504 4.3504 4.7438 4.7438 4.7454 4.7454 5.1831 5.1831 5.2725 5.2725 5.6251 5.6251 5.6491 5.6491 5.9330 5.9330 5.9560 5.9560 7.7060 7.7060 7.7621 7.7621 11.6840 11.6840 11.6978 11.6978 13.0663 13.0663 13.0759 13.0759 k = 0.5000 0.3692-0.0381 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4793 -46.4793 -46.4789 -46.4789 -42.2960 -42.2960 -42.2942 -42.2942 -41.6050 -41.6050 -41.6038 -41.6038 -8.9456 -8.9456 -8.9448 -8.9448 -8.5307 -8.5307 -8.5242 -8.5242 0.6283 0.6283 0.6346 0.6346 1.1330 1.1330 1.1745 1.1745 1.5606 1.5606 1.5990 1.5990 2.1848 2.1848 2.1901 2.1901 3.4152 3.4152 3.4338 3.4338 4.3687 4.3687 4.3814 4.3814 4.7581 4.7581 4.7594 4.7594 5.2157 5.2157 5.3008 5.3008 5.6144 5.6144 5.6407 5.6407 5.9232 5.9232 5.9442 5.9442 7.7078 7.7078 7.7565 7.7565 11.6510 11.6510 11.6630 11.6630 13.0307 13.0307 13.0388 13.0388 k = 0.5000 0.3657-0.0496 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4790 -46.4790 -42.2958 -42.2958 -42.2943 -42.2943 -41.6049 -41.6049 -41.6039 -41.6039 -8.9474 -8.9474 -8.9467 -8.9467 -8.5279 -8.5279 -8.5224 -8.5224 0.6398 0.6398 0.6443 0.6443 1.1484 1.1484 1.1919 1.1919 1.5115 1.5115 1.5519 1.5519 2.1816 2.1816 2.1862 2.1862 3.4108 3.4108 3.4255 3.4255 4.4010 4.4010 4.4097 4.4097 4.7702 4.7702 4.7710 4.7710 5.2457 5.2457 5.3241 5.3241 5.6055 5.6055 5.6327 5.6327 5.9143 5.9143 5.9327 5.9327 7.7103 7.7103 7.7513 7.7513 11.6230 11.6230 11.6331 11.6331 12.9996 12.9996 13.0063 13.0063 k = 0.5000 0.3621-0.0612 ( 6794 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4790 -46.4790 -42.2957 -42.2957 -42.2945 -42.2945 -41.6048 -41.6048 -41.6040 -41.6040 -8.9489 -8.9489 -8.9483 -8.9483 -8.5255 -8.5255 -8.5211 -8.5211 0.6495 0.6495 0.6526 0.6526 1.1671 1.1671 1.2119 1.2119 1.4649 1.4649 1.5067 1.5067 2.1793 2.1793 2.1830 2.1830 3.4069 3.4069 3.4182 3.4182 4.4288 4.4288 4.4344 4.4344 4.7799 4.7799 4.7803 4.7803 5.2730 5.2730 5.3415 5.3415 5.5989 5.5989 5.6252 5.6252 5.9066 5.9066 5.9221 5.9221 7.7132 7.7132 7.7463 7.7463 11.6001 11.6001 11.6083 11.6083 12.9736 12.9736 12.9789 12.9789 k = 0.5000 0.3585-0.0727 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4790 -46.4790 -42.2955 -42.2955 -42.2946 -42.2946 -41.6047 -41.6047 -41.6041 -41.6041 -8.9500 -8.9500 -8.9496 -8.9496 -8.5234 -8.5234 -8.5201 -8.5201 0.6573 0.6573 0.6592 0.6592 1.1891 1.1891 1.2337 1.2337 1.4219 1.4219 1.4639 1.4639 2.1777 2.1777 2.1805 2.1805 3.4039 3.4039 3.4121 3.4121 4.4513 4.4513 4.4546 4.4546 4.7873 4.7873 4.7874 4.7874 5.2972 5.2972 5.3526 5.3526 5.5952 5.5952 5.6181 5.6181 5.9006 5.9006 5.9127 5.9127 7.7165 7.7165 7.7416 7.7416 11.5825 11.5825 11.5886 11.5886 12.9530 12.9530 12.9569 12.9569 k = 0.5000 0.3550-0.0843 ( 6788 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4791 -46.4791 -42.2954 -42.2954 -42.2948 -42.2948 -41.6046 -41.6046 -41.6042 -41.6042 -8.9508 -8.9508 -8.9506 -8.9506 -8.5218 -8.5218 -8.5195 -8.5195 0.6629 0.6629 0.6640 0.6640 1.2138 1.2138 1.2553 1.2553 1.3847 1.3847 1.4243 1.4243 2.1767 2.1767 2.1786 2.1786 3.4019 3.4019 3.4073 3.4073 4.4680 4.4680 4.4697 4.4697 4.7923 4.7923 4.7925 4.7925 5.3179 5.3179 5.3571 5.3571 5.5946 5.5946 5.6116 5.6116 5.8966 5.8966 5.9049 5.9049 7.7202 7.7202 7.7370 7.7370 11.5701 11.5701 11.5742 11.5742 12.9382 12.9382 12.9408 12.9408 k = 0.5000 0.3514-0.0958 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4791 -46.4791 -42.2952 -42.2952 -42.2949 -42.2949 -41.6045 -41.6045 -41.6043 -41.6043 -8.9513 -8.9513 -8.9512 -8.9512 -8.5205 -8.5205 -8.5194 -8.5194 0.6664 0.6664 0.6669 0.6669 1.2399 1.2399 1.2695 1.2695 1.3608 1.3608 1.3894 1.3894 2.1763 2.1763 2.1773 2.1773 3.4012 3.4012 3.4038 3.4038 4.4782 4.4782 4.4790 4.4790 4.7953 4.7953 4.7955 4.7955 5.3348 5.3348 5.3551 5.3551 5.5965 5.5965 5.6056 5.6056 5.8950 5.8950 5.8992 5.8992 7.7241 7.7241 7.7325 7.7325 11.5631 11.5631 11.5651 11.5651 12.9295 12.9295 12.9308 12.9308 k = 0.5000 0.3478-0.1073 ( 6788 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4791 -46.4791 -42.2951 -42.2951 -42.2951 -42.2951 -41.6044 -41.6044 -41.6044 -41.6044 -8.9514 -8.9514 -8.9514 -8.9514 -8.5198 -8.5198 -8.5198 -8.5198 0.6677 0.6677 0.6677 0.6677 1.2628 1.2628 1.2628 1.2628 1.3640 1.3640 1.3640 1.3640 2.1765 2.1765 2.1765 2.1765 3.4018 3.4018 3.4018 3.4018 4.4819 4.4819 4.4819 4.4819 4.7964 4.7964 4.7964 4.7964 5.3474 5.3474 5.3474 5.3474 5.6004 5.6004 5.6004 5.6004 5.8958 5.8958 5.8958 5.8958 7.7282 7.7282 7.7282 7.7282 11.5614 11.5614 11.5614 11.5614 12.9270 12.9270 12.9270 12.9270 k = 0.5000 0.3478-0.1073 ( 6788 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4791 -46.4791 -42.2951 -42.2951 -42.2951 -42.2951 -41.6044 -41.6044 -41.6044 -41.6044 -8.9514 -8.9514 -8.9514 -8.9514 -8.5198 -8.5198 -8.5198 -8.5198 0.6677 0.6677 0.6677 0.6677 1.2628 1.2628 1.2628 1.2628 1.3640 1.3640 1.3640 1.3640 2.1765 2.1765 2.1765 2.1765 3.4018 3.4018 3.4018 3.4018 4.4819 4.4819 4.4819 4.4819 4.7964 4.7964 4.7964 4.7964 5.3474 5.3474 5.3474 5.3474 5.6004 5.6004 5.6004 5.6004 5.8958 5.8958 5.8958 5.8958 7.7282 7.7282 7.7282 7.7282 11.5614 11.5614 11.5614 11.5614 12.9270 12.9270 12.9270 12.9270 k = 0.4878 0.3478-0.1073 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4792 -46.4792 -46.4791 -46.4791 -42.2952 -42.2952 -42.2950 -42.2950 -41.6044 -41.6044 -41.6044 -41.6044 -8.9606 -8.9606 -8.9426 -8.9426 -8.5210 -8.5210 -8.5188 -8.5188 0.6459 0.6459 0.6901 0.6901 1.2461 1.2461 1.2737 1.2737 1.3583 1.3583 1.3777 1.3777 2.1716 2.1716 2.1832 2.1832 3.3898 3.3898 3.4139 3.4139 4.4728 4.4728 4.4901 4.4901 4.7858 4.7858 4.8057 4.8057 5.3305 5.3305 5.3635 5.3635 5.5862 5.5862 5.6142 5.6142 5.8815 5.8815 5.9091 5.9091 7.7119 7.7119 7.7455 7.7455 11.5518 11.5518 11.5757 11.5757 12.8976 12.8976 12.9598 12.9598 k = 0.4756 0.3478-0.1073 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4792 -46.4792 -46.4790 -46.4790 -42.2953 -42.2953 -42.2949 -42.2949 -41.6045 -41.6045 -41.6043 -41.6043 -8.9702 -8.9702 -8.9341 -8.9341 -8.5224 -8.5224 -8.5182 -8.5182 0.6246 0.6246 0.7130 0.7130 1.2256 1.2256 1.2786 1.2786 1.3603 1.3603 1.3977 1.3977 2.1685 2.1685 2.1915 2.1915 3.3778 3.3778 3.4257 3.4257 4.4630 4.4630 4.4975 4.4975 4.7740 4.7740 4.8135 4.8135 5.3127 5.3127 5.3788 5.3788 5.5716 5.5716 5.6278 5.6278 5.8662 5.8662 5.9211 5.9211 7.6965 7.6965 7.7637 7.7637 11.5468 11.5468 11.5948 11.5948 12.8715 12.8715 12.9959 12.9959 k = 0.4634 0.3478-0.1073 ( 6790 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4793 -46.4793 -46.4790 -46.4790 -42.2954 -42.2954 -42.2948 -42.2948 -41.6045 -41.6045 -41.6043 -41.6043 -8.9801 -8.9801 -8.9261 -8.9261 -8.5241 -8.5241 -8.5178 -8.5178 0.6038 0.6038 0.7365 0.7365 1.2033 1.2033 1.2795 1.2795 1.3681 1.3681 1.4222 1.4222 2.1674 2.1674 2.2014 2.2014 3.3662 3.3662 3.4373 3.4373 4.4526 4.4526 4.5039 4.5039 4.7610 4.7610 4.8198 4.8198 5.2941 5.2941 5.3930 5.3930 5.5566 5.5566 5.6411 5.6411 5.8500 5.8500 5.9319 5.9319 7.6821 7.6821 7.7827 7.7827 11.5462 11.5462 11.6187 11.6187 12.8486 12.8486 13.0353 13.0353 k = 0.4512 0.3478-0.1073 ( 6786 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4793 -46.4793 -46.4789 -46.4789 -42.2955 -42.2955 -42.2947 -42.2947 -41.6045 -41.6045 -41.6042 -41.6042 -8.9903 -8.9903 -8.9184 -8.9184 -8.5260 -8.5260 -8.5176 -8.5176 0.5834 0.5834 0.7606 0.7606 1.1803 1.1803 1.2789 1.2789 1.3794 1.3794 1.4496 1.4496 2.1683 2.1683 2.2127 2.2127 3.3549 3.3549 3.4485 3.4485 4.4415 4.4415 4.5093 4.5093 4.7469 4.7469 4.8246 4.8246 5.2748 5.2748 5.4063 5.4063 5.5413 5.5413 5.6543 5.6543 5.8333 5.8333 5.9412 5.9412 7.6686 7.6686 7.8025 7.8025 11.5499 11.5499 11.6475 11.6475 12.8289 12.8289 13.0780 13.0780 k = 0.4390 0.3478-0.1073 ( 6784 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4794 -46.4794 -46.4788 -46.4788 -42.2956 -42.2956 -42.2946 -42.2946 -41.6045 -41.6045 -41.6042 -41.6042 -9.0008 -9.0008 -8.9112 -8.9112 -8.5282 -8.5282 -8.5177 -8.5177 0.5633 0.5633 0.7852 0.7852 1.1574 1.1574 1.2784 1.2784 1.3928 1.3928 1.4786 1.4786 2.1715 2.1715 2.2255 2.2255 3.3442 3.3442 3.4591 3.4591 4.4300 4.4300 4.5136 4.5136 4.7319 4.7319 4.8276 4.8276 5.2546 5.2546 5.4184 5.4184 5.5258 5.5258 5.6674 5.6674 5.8160 5.8160 5.9490 5.9490 7.6563 7.6563 7.8231 7.8231 11.5577 11.5577 11.6812 11.6812 12.8122 12.8122 13.1240 13.1240 k = 0.4268 0.3478-0.1073 ( 6786 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4795 -46.4795 -46.4788 -46.4788 -42.2957 -42.2957 -42.2945 -42.2945 -41.6045 -41.6045 -41.6041 -41.6041 -9.0116 -9.0116 -8.9044 -8.9044 -8.5305 -8.5305 -8.5180 -8.5180 0.5436 0.5436 0.8101 0.8101 1.1352 1.1352 1.2791 1.2791 1.4075 1.4075 1.5086 1.5086 2.1770 2.1770 2.2396 2.2396 3.3342 3.3342 3.4690 3.4690 4.4182 4.4182 4.5168 4.5168 4.7160 4.7160 4.8288 4.8288 5.2338 5.2338 5.4291 5.4291 5.5104 5.5104 5.6806 5.6806 5.7985 5.7985 5.9553 5.9553 7.6449 7.6449 7.8442 7.8442 11.5695 11.5695 11.7197 11.7197 12.7985 12.7985 13.1730 13.1730 k = 0.4146 0.3478-0.1073 ( 6784 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4795 -46.4795 -46.4787 -46.4787 -42.2958 -42.2958 -42.2944 -42.2944 -41.6045 -41.6045 -41.6040 -41.6040 -9.0226 -9.0226 -8.8981 -8.8981 -8.5331 -8.5331 -8.5186 -8.5186 0.5241 0.5241 0.8352 0.8352 1.1141 1.1141 1.2812 1.2812 1.4232 1.4232 1.5391 1.5391 2.1851 2.1851 2.2550 2.2550 3.3249 3.3249 3.4780 3.4780 4.4061 4.4061 4.5189 4.5189 4.6993 4.6993 4.8282 4.8282 5.2124 5.2124 5.4374 5.4374 5.4959 5.4959 5.6938 5.6938 5.7807 5.7807 5.9599 5.9599 7.6345 7.6345 7.8660 7.8660 11.5851 11.5851 11.7630 11.7630 12.7877 12.7877 13.2251 13.2251 k = 0.4024 0.3478-0.1073 ( 6784 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4795 -46.4795 -46.4786 -46.4786 -42.2959 -42.2959 -42.2943 -42.2943 -41.6045 -41.6045 -41.6040 -41.6040 -9.0338 -9.0338 -8.8921 -8.8921 -8.5360 -8.5360 -8.5194 -8.5194 0.5048 0.5048 0.8602 0.8602 1.0944 1.0944 1.2852 1.2852 1.4394 1.4394 1.5696 1.5696 2.1958 2.1958 2.2716 2.2716 3.3167 3.3167 3.4860 3.4860 4.3938 4.3938 4.5199 4.5199 4.6819 4.6819 4.8259 4.8259 5.1904 5.1904 5.4410 5.4410 5.4846 5.4846 5.7072 5.7072 5.7631 5.7631 5.9629 5.9629 7.6250 7.6250 7.8882 7.8882 11.6043 11.6043 11.8109 11.8109 12.7796 12.7796 13.2801 13.2801 k = 0.3902 0.3478-0.1073 ( 6782 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2960 -42.2960 -42.2942 -42.2942 -41.6045 -41.6045 -41.6039 -41.6039 -9.0452 -9.0452 -8.8866 -8.8866 -8.5389 -8.5389 -8.5204 -8.5204 0.4857 0.4857 0.8844 0.8844 1.0770 1.0770 1.2912 1.2912 1.4561 1.4561 1.5999 1.5999 2.2095 2.2095 2.2893 2.2893 3.3095 3.3095 3.4930 3.4930 4.3815 4.3815 4.5197 4.5197 4.6638 4.6638 4.8216 4.8216 5.1678 5.1678 5.4362 5.4362 5.4803 5.4803 5.7206 5.7206 5.7460 5.7460 5.9642 5.9642 7.6165 7.6165 7.9109 7.9109 11.6267 11.6267 11.8633 11.8633 12.7741 12.7741 13.3377 13.3377 k = 0.3780 0.3478-0.1073 ( 6794 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4796 -46.4796 -46.4785 -46.4785 -42.2960 -42.2960 -42.2941 -42.2941 -41.6045 -41.6045 -41.6038 -41.6038 -9.0567 -9.0567 -8.8815 -8.8815 -8.5421 -8.5421 -8.5217 -8.5217 0.4668 0.4668 0.9066 0.9066 1.0629 1.0629 1.2992 1.2992 1.4730 1.4730 1.6295 1.6295 2.2261 2.2261 2.3081 2.3081 3.3036 3.3036 3.4986 3.4986 4.3692 4.3692 4.5184 4.5184 4.6451 4.6451 4.8154 4.8154 5.1447 5.1447 5.4233 5.4233 5.4824 5.4824 5.7257 5.7257 5.7381 5.7381 5.9638 5.9638 7.6089 7.6089 7.9338 7.9338 11.6523 11.6523 11.9200 11.9200 12.7711 12.7711 13.3978 13.3978 k = 0.3659 0.3478-0.1073 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4797 -46.4797 -46.4784 -46.4784 -42.2961 -42.2961 -42.2940 -42.2940 -41.6045 -41.6045 -41.6038 -41.6038 -9.0684 -9.0684 -8.8769 -8.8769 -8.5454 -8.5454 -8.5231 -8.5231 0.4480 0.4480 0.9248 0.9248 1.0542 1.0542 1.3094 1.3094 1.4899 1.4899 1.6584 1.6584 2.2460 2.2460 2.3278 2.3278 3.2991 3.2991 3.5029 3.5029 4.3570 4.3570 4.5159 4.5159 4.6259 4.6259 4.8075 4.8075 5.1212 5.1212 5.4067 5.4067 5.4867 5.4867 5.7108 5.7108 5.7513 5.7513 5.9618 5.9618 7.6021 7.6021 7.9571 7.9571 11.6808 11.6808 11.9806 11.9806 12.7706 12.7706 13.4600 13.4600 k = 0.3537 0.3478-0.1073 ( 6782 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4797 -46.4797 -46.4784 -46.4784 -42.2962 -42.2962 -42.2939 -42.2939 -41.6045 -41.6045 -41.6037 -41.6037 -9.0801 -9.0801 -8.8726 -8.8726 -8.5489 -8.5489 -8.5248 -8.5248 0.4293 0.4293 0.9357 0.9357 1.0540 1.0540 1.3216 1.3216 1.5068 1.5068 1.6861 1.6861 2.2692 2.2692 2.3485 2.3485 3.2961 3.2961 3.5056 3.5056 4.3451 4.3451 4.5123 4.5123 4.6064 4.6064 4.7979 4.7979 5.0975 5.0975 5.3884 5.3884 5.4909 5.4909 5.6954 5.6954 5.7665 5.7665 5.9582 5.9582 7.5960 7.5960 7.9806 7.9806 11.7120 11.7120 12.0447 12.0447 12.7725 12.7725 13.5240 13.5240 k = 0.3415 0.3478-0.1073 ( 6784 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4797 -46.4797 -46.4783 -46.4783 -42.2963 -42.2963 -42.2938 -42.2938 -41.6044 -41.6044 -41.6036 -41.6036 -9.0919 -9.0919 -8.8687 -8.8687 -8.5525 -8.5525 -8.5266 -8.5266 0.4108 0.4108 0.9377 0.9377 1.0641 1.0641 1.3360 1.3360 1.5234 1.5234 1.7126 1.7126 2.2958 2.2958 2.3701 2.3701 3.2946 3.2946 3.5068 3.5068 4.3335 4.3335 4.5075 4.5075 4.5866 4.5866 4.7867 4.7867 5.0733 5.0733 5.3689 5.3689 5.4942 5.4942 5.6811 5.6811 5.7823 5.7823 5.9531 5.9531 7.5907 7.5907 8.0041 8.0041 11.7455 11.7455 12.1117 12.1117 12.7770 12.7770 13.5892 13.5892 k = 0.3293 0.3478-0.1073 ( 6786 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4798 -46.4798 -46.4782 -46.4782 -42.2964 -42.2964 -42.2937 -42.2937 -41.6044 -41.6044 -41.6035 -41.6035 -9.1036 -9.1036 -8.8652 -8.8652 -8.5562 -8.5562 -8.5285 -8.5285 0.3924 0.3924 0.9323 0.9323 1.0824 1.0824 1.3524 1.3524 1.5398 1.5398 1.7377 1.7377 2.3257 2.3257 2.3925 2.3925 3.2950 3.2950 3.5062 3.5062 4.3222 4.3222 4.5015 4.5015 4.5666 4.5666 4.7740 4.7740 5.0490 5.0490 5.3486 5.3486 5.4961 5.4961 5.6682 5.6682 5.7986 5.7986 5.9467 5.9467 7.5860 7.5860 8.0277 8.0277 11.7813 11.7813 12.1809 12.1809 12.7843 12.7843 13.6549 13.6549 k = 0.3171 0.3478-0.1073 ( 6780 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4798 -46.4798 -46.4782 -46.4782 -42.2964 -42.2964 -42.2936 -42.2936 -41.6044 -41.6044 -41.6034 -41.6034 -9.1154 -9.1154 -8.8621 -8.8621 -8.5600 -8.5600 -8.5306 -8.5306 0.3742 0.3742 0.9230 0.9230 1.1058 1.1058 1.3709 1.3709 1.5557 1.5557 1.7614 1.7614 2.3588 2.3588 2.4157 2.4157 3.2971 3.2971 3.5039 3.5039 4.3115 4.3115 4.4943 4.4943 4.5467 4.5467 4.7601 4.7601 5.0244 5.0244 5.3276 5.3276 5.4964 5.4964 5.6569 5.6569 5.8150 5.8150 5.9394 5.9394 7.5819 7.5819 8.0513 8.0513 11.8189 11.8189 12.2511 12.2511 12.7951 12.7951 13.7201 13.7201 k = 0.3049 0.3478-0.1073 ( 6774 PWs) bands (ev): -77.6132 -77.6132 -77.6129 -77.6129 -46.4798 -46.4798 -46.4781 -46.4781 -42.2965 -42.2965 -42.2935 -42.2935 -41.6043 -41.6043 -41.6033 -41.6033 -9.1270 -9.1270 -8.8593 -8.8593 -8.5639 -8.5639 -8.5329 -8.5329 0.3562 0.3562 0.9118 0.9118 1.1318 1.1318 1.3913 1.3913 1.5711 1.5711 1.7837 1.7837 2.3949 2.3949 2.4397 2.4397 3.3012 3.3012 3.4998 3.4998 4.3012 4.3012 4.4856 4.4856 4.5271 4.5271 4.7451 4.7451 4.9998 4.9998 5.3057 5.3057 5.4949 5.4949 5.6476 5.6476 5.8309 5.8309 5.9320 5.9320 7.5783 7.5783 8.0748 8.0748 11.8582 11.8582 12.3207 12.3207 12.8103 12.8103 13.7827 13.7827 k = 0.2927 0.3478-0.1073 ( 6786 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4799 -46.4799 -46.4781 -46.4781 -42.2966 -42.2966 -42.2934 -42.2934 -41.6043 -41.6043 -41.6033 -41.6033 -9.1386 -9.1386 -8.8568 -8.8568 -8.5678 -8.5678 -8.5352 -8.5352 0.3384 0.3384 0.9001 0.9001 1.1590 1.1590 1.4136 1.4136 1.5859 1.5859 1.8046 1.8046 2.4333 2.4333 2.4650 2.4650 3.3073 3.3073 3.4938 3.4938 4.2915 4.2915 4.4751 4.4751 4.5083 4.5083 4.7292 4.7292 4.9750 4.9750 5.2829 5.2829 5.4917 5.4917 5.6400 5.6400 5.8447 5.8447 5.9261 5.9261 7.5751 7.5751 8.0981 8.0981 11.8989 11.8989 12.3874 12.3874 12.8318 12.8318 13.8393 13.8393 k = 0.2805 0.3478-0.1073 ( 6782 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4799 -46.4799 -46.4780 -46.4780 -42.2967 -42.2967 -42.2933 -42.2933 -41.6043 -41.6043 -41.6032 -41.6032 -9.1500 -9.1500 -8.8547 -8.8547 -8.5718 -8.5718 -8.5376 -8.5376 0.3209 0.3209 0.8883 0.8883 1.1868 1.1868 1.4376 1.4376 1.6001 1.6001 1.8242 1.8242 2.4718 2.4718 2.4934 2.4934 3.3153 3.3153 3.4861 3.4861 4.2823 4.2823 4.4622 4.4622 4.4911 4.4911 4.7126 4.7126 4.9503 4.9503 5.2592 5.2592 5.4869 5.4869 5.6342 5.6342 5.8533 5.8533 5.9251 5.9251 7.5724 7.5724 8.1212 8.1212 11.9407 11.9407 12.4483 12.4483 12.8617 12.8617 13.8825 13.8825 k = 0.2683 0.3478-0.1073 ( 6780 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4799 -46.4799 -46.4779 -46.4779 -42.2967 -42.2967 -42.2932 -42.2932 -41.6042 -41.6042 -41.6031 -41.6031 -9.1613 -9.1613 -8.8529 -8.8529 -8.5757 -8.5757 -8.5401 -8.5401 0.3037 0.3037 0.8767 0.8767 1.2148 1.2148 1.4633 1.4633 1.6135 1.6135 1.8425 1.8425 2.5047 2.5047 2.5303 2.5303 3.3252 3.3252 3.4767 3.4767 4.2738 4.2738 4.4464 4.4464 4.4759 4.4759 4.6955 4.6955 4.9257 4.9257 5.2344 5.2344 5.4810 5.4810 5.6298 5.6298 5.8533 5.8533 5.9324 5.9324 7.5701 7.5701 8.1440 8.1440 11.9832 11.9832 12.5004 12.5004 12.9025 12.9025 13.8987 13.8987 k = 0.2561 0.3478-0.1073 ( 6778 PWs) bands (ev): -77.6132 -77.6132 -77.6129 -77.6129 -46.4800 -46.4800 -46.4779 -46.4779 -42.2968 -42.2968 -42.2931 -42.2931 -41.6042 -41.6042 -41.6030 -41.6030 -9.1723 -9.1723 -8.8513 -8.8513 -8.5797 -8.5797 -8.5427 -8.5427 0.2868 0.2868 0.8657 0.8657 1.2425 1.2425 1.4904 1.4904 1.6261 1.6261 1.8598 1.8598 2.5321 2.5321 2.5752 2.5752 3.3368 3.3368 3.4659 3.4659 4.2659 4.2659 4.4283 4.4283 4.4624 4.4624 4.6782 4.6782 4.9014 4.9014 5.2085 5.2085 5.4742 5.4742 5.6263 5.6263 5.8457 5.8457 5.9472 5.9472 7.5680 7.5680 8.1664 8.1664 12.0262 12.0262 12.5413 12.5413 12.9557 12.9557 13.8735 13.8735 k = 0.2439 0.3478-0.1073 ( 6772 PWs) bands (ev): -77.6132 -77.6132 -77.6129 -77.6129 -46.4800 -46.4800 -46.4778 -46.4778 -42.2968 -42.2968 -42.2930 -42.2930 -41.6042 -41.6042 -41.6029 -41.6029 -9.1831 -9.1831 -8.8500 -8.8500 -8.5836 -8.5836 -8.5453 -8.5453 0.2703 0.2703 0.8551 0.8551 1.2697 1.2697 1.5190 1.5190 1.6378 1.6378 1.8761 1.8761 2.5579 2.5579 2.6238 2.6238 3.3493 3.3493 3.4546 3.4546 4.2586 4.2586 4.4090 4.4090 4.4498 4.4498 4.6608 4.6608 4.8775 4.8775 5.1813 5.1813 5.4669 5.4669 5.6232 5.6232 5.8339 5.8339 5.9664 5.9664 7.5661 7.5661 8.1884 8.1884 12.0693 12.0693 12.5710 12.5710 13.0207 13.0207 13.8094 13.8094 k = 0.2317 0.3478-0.1073 ( 6772 PWs) bands (ev): -77.6132 -77.6132 -77.6129 -77.6129 -46.4800 -46.4800 -46.4778 -46.4778 -42.2969 -42.2969 -42.2929 -42.2929 -41.6041 -41.6041 -41.6028 -41.6028 -9.1936 -9.1936 -8.8490 -8.8490 -8.5875 -8.5875 -8.5479 -8.5479 0.2543 0.2543 0.8451 0.8451 1.2963 1.2963 1.5487 1.5487 1.6488 1.6488 1.8915 1.8915 2.5833 2.5833 2.6747 2.6747 3.3611 3.3611 3.4445 3.4445 4.2519 4.2519 4.3890 4.3890 4.4374 4.4374 4.6434 4.6434 4.8540 4.8540 5.1529 5.1529 5.4594 5.4594 5.6199 5.6199 5.8203 5.8203 5.9879 5.9879 7.5645 7.5645 8.2099 8.2099 12.1121 12.1121 12.5909 12.5909 13.0951 13.0951 13.7230 13.7230 k = 0.2195 0.3478-0.1073 ( 6780 PWs) bands (ev): -77.6132 -77.6132 -77.6129 -77.6129 -46.4800 -46.4800 -46.4777 -46.4777 -42.2970 -42.2970 -42.2929 -42.2929 -41.6041 -41.6041 -41.6027 -41.6027 -9.2037 -9.2037 -8.8481 -8.8481 -8.5913 -8.5913 -8.5505 -8.5505 0.2387 0.2387 0.8358 0.8358 1.3221 1.3221 1.5794 1.5794 1.6588 1.6588 1.9061 1.9061 2.6083 2.6083 2.7272 2.7272 3.3678 3.3678 3.4398 3.4398 4.2457 4.2457 4.3687 4.3687 4.4249 4.4249 4.6261 4.6261 4.8311 4.8311 5.1232 5.1232 5.4518 5.4518 5.6160 5.6160 5.8061 5.8061 6.0108 6.0108 7.5630 7.5630 8.2308 8.2308 12.1542 12.1542 12.6032 12.6032 13.1756 13.1756 13.6269 13.6269 k = 0.2073 0.3478-0.1073 ( 6790 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4801 -46.4801 -46.4776 -46.4776 -42.2970 -42.2970 -42.2928 -42.2928 -41.6040 -41.6040 -41.6026 -41.6026 -9.2136 -9.2136 -8.8475 -8.8475 -8.5951 -8.5951 -8.5531 -8.5531 0.2237 0.2237 0.8270 0.8270 1.3470 1.3470 1.6108 1.6108 1.6682 1.6682 1.9200 1.9200 2.6330 2.6330 2.7811 2.7811 3.3642 3.3642 3.4461 3.4461 4.2399 4.2399 4.3484 4.3484 4.4124 4.4124 4.6092 4.6092 4.8090 4.8090 5.0923 5.0923 5.4441 5.4441 5.6107 5.6107 5.7924 5.7924 6.0346 6.0346 7.5617 7.5617 8.2511 8.2511 12.1951 12.1951 12.6099 12.6099 13.2590 13.2590 13.5284 13.5284 k = 0.1951 0.3478-0.1073 ( 6792 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4801 -46.4801 -46.4776 -46.4776 -42.2971 -42.2971 -42.2927 -42.2927 -41.6040 -41.6040 -41.6026 -41.6026 -9.2230 -9.2230 -8.8470 -8.8470 -8.5987 -8.5987 -8.5557 -8.5557 0.2093 0.2093 0.8188 0.8188 1.3708 1.3708 1.6425 1.6425 1.6770 1.6770 1.9333 1.9333 2.6573 2.6573 2.8359 2.8359 3.3508 3.3508 3.4627 3.4627 4.2347 4.2347 4.3282 4.3282 4.3999 4.3999 4.5926 4.5926 4.7879 4.7879 5.0602 5.0602 5.4365 5.4365 5.6037 5.6037 5.7801 5.7801 6.0589 6.0589 7.5605 7.5605 8.2707 8.2707 12.2342 12.2342 12.6123 12.6123 13.3393 13.3393 13.4343 13.4343 k = 0.1829 0.3478-0.1073 ( 6782 PWs) bands (ev): -77.6132 -77.6132 -77.6129 -77.6129 -46.4801 -46.4801 -46.4775 -46.4775 -42.2971 -42.2971 -42.2927 -42.2927 -41.6039 -41.6039 -41.6025 -41.6025 -9.2321 -9.2321 -8.8466 -8.8466 -8.6022 -8.6022 -8.5581 -8.5581 0.1955 0.1955 0.8113 0.8113 1.3934 1.3934 1.6717 1.6717 1.6879 1.6879 1.9460 1.9460 2.6810 2.6810 2.8913 2.8913 3.3321 3.3321 3.4854 3.4854 4.2298 4.2298 4.3082 4.3082 4.3872 4.3872 4.5767 4.5767 4.7678 4.7678 5.0270 5.0270 5.4288 5.4288 5.5946 5.5946 5.7698 5.7698 6.0834 6.0834 7.5594 7.5594 8.2895 8.2895 12.2709 12.2709 12.6115 12.6115 13.3262 13.3262 13.4349 13.4349 k = 0.1707 0.3478-0.1073 ( 6780 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4775 -46.4775 -42.2972 -42.2972 -42.2926 -42.2926 -41.6039 -41.6039 -41.6024 -41.6024 -9.2407 -9.2407 -8.8464 -8.8464 -8.6056 -8.6056 -8.5606 -8.5606 0.1823 0.1823 0.8043 0.8043 1.4149 1.4149 1.6865 1.6865 1.7126 1.7126 1.9581 1.9581 2.7042 2.7042 2.9469 2.9469 3.3104 3.3104 3.5118 3.5118 4.2251 4.2251 4.2884 4.2884 4.3746 4.3746 4.5613 4.5613 4.7488 4.7488 4.9930 4.9930 5.4208 5.4208 5.5834 5.5834 5.7618 5.7618 6.1079 6.1079 7.5583 7.5583 8.3076 8.3076 12.3044 12.3044 12.6083 12.6083 13.2392 13.2392 13.5099 13.5099 k = 0.1585 0.3478-0.1073 ( 6780 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4775 -46.4775 -42.2972 -42.2972 -42.2925 -42.2925 -41.6039 -41.6039 -41.6023 -41.6023 -9.2488 -9.2488 -8.8463 -8.8463 -8.6088 -8.6088 -8.5629 -8.5629 0.1699 0.1699 0.7979 0.7979 1.4350 1.4350 1.6933 1.6933 1.7442 1.7442 1.9699 1.9699 2.7267 2.7267 3.0023 3.0023 3.2872 3.2872 3.5408 3.5408 4.2203 4.2203 4.2690 4.2690 4.3620 4.3620 4.5468 4.5468 4.7310 4.7310 4.9581 4.9581 5.4123 5.4123 5.5706 5.5706 5.7562 5.7562 6.1321 6.1321 7.5573 7.5573 8.3247 8.3247 12.3335 12.3335 12.6033 12.6033 13.1562 13.1562 13.5808 13.5808 k = 0.1463 0.3478-0.1073 ( 6768 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4774 -46.4774 -42.2972 -42.2972 -42.2925 -42.2925 -41.6038 -41.6038 -41.6023 -41.6023 -9.2564 -9.2564 -8.8463 -8.8463 -8.6119 -8.6119 -8.5651 -8.5651 0.1582 0.1582 0.7921 0.7921 1.4538 1.4538 1.6985 1.6985 1.7764 1.7764 1.9812 1.9812 2.7483 2.7483 3.0570 3.0570 3.2633 3.2633 3.5716 3.5716 4.2153 4.2153 4.2503 4.2503 4.3496 4.3496 4.5332 4.5332 4.7145 4.7145 4.9228 4.9228 5.4029 5.4029 5.5567 5.5567 5.7527 5.7527 6.1559 6.1559 7.5564 7.5564 8.3409 8.3409 12.3571 12.3571 12.5969 12.5969 13.0811 13.0811 13.6430 13.6430 k = 0.1341 0.3478-0.1073 ( 6762 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4774 -46.4774 -42.2973 -42.2973 -42.2924 -42.2924 -41.6038 -41.6038 -41.6022 -41.6022 -9.2636 -9.2636 -8.8464 -8.8464 -8.6147 -8.6147 -8.5672 -8.5672 0.1474 0.1474 0.7868 0.7868 1.4713 1.4713 1.7027 1.7027 1.8079 1.8079 1.9923 1.9923 2.7690 2.7690 3.1095 3.1095 3.2402 3.2402 3.6038 3.6038 4.2089 4.2089 4.2332 4.2332 4.3374 4.3374 4.5208 4.5208 4.6991 4.6991 4.8873 4.8873 5.3925 5.3925 5.5427 5.5427 5.7509 5.7509 6.1789 6.1789 7.5556 7.5556 8.3561 8.3561 12.3737 12.3737 12.5895 12.5895 13.0161 13.0161 13.6943 13.6943 k = 0.1220 0.3478-0.1073 ( 6762 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4773 -46.4773 -42.2973 -42.2973 -42.2924 -42.2924 -41.6038 -41.6038 -41.6022 -41.6022 -9.2701 -9.2701 -8.8465 -8.8465 -8.6174 -8.6174 -8.5692 -8.5692 0.1373 0.1373 0.7821 0.7821 1.4873 1.4873 1.7062 1.7062 1.8383 1.8383 2.0032 2.0032 2.7885 2.7885 3.1547 3.1547 3.2231 3.2231 3.6370 3.6370 4.1988 4.1988 4.2199 4.2199 4.3254 4.3254 4.5097 4.5097 4.6848 4.6848 4.8519 4.8519 5.3807 5.3807 5.5294 5.5294 5.7505 5.7505 6.2010 6.2010 7.5548 7.5548 8.3702 8.3702 12.3821 12.3821 12.5815 12.5815 12.9627 12.9627 13.7337 13.7337 k = 0.1098 0.3478-0.1073 ( 6758 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4773 -46.4773 -42.2973 -42.2973 -42.2923 -42.2923 -41.6037 -41.6037 -41.6021 -41.6021 -9.2762 -9.2762 -8.8467 -8.8467 -8.6198 -8.6198 -8.5710 -8.5710 0.1281 0.1281 0.7778 0.7778 1.5019 1.5019 1.7090 1.7090 1.8671 1.8671 2.0140 2.0140 2.8067 2.8067 3.1672 3.1672 3.2373 3.2373 3.6709 3.6709 4.1836 4.1836 4.2116 4.2116 4.3139 4.3139 4.5000 4.5000 4.6715 4.6715 4.8173 4.8173 5.3675 5.3675 5.5174 5.5174 5.7511 5.7511 6.2219 6.2219 7.5540 7.5540 8.3831 8.3831 12.3813 12.3813 12.5733 12.5733 12.9222 12.9222 13.7611 13.7611 k = 0.0976 0.3478-0.1073 ( 6752 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4773 -46.4773 -42.2974 -42.2974 -42.2923 -42.2923 -41.6037 -41.6037 -41.6020 -41.6020 -9.2816 -9.2816 -8.8469 -8.8469 -8.6221 -8.6221 -8.5727 -8.5727 0.1198 0.1198 0.7741 0.7741 1.5150 1.5150 1.7112 1.7112 1.8935 1.8935 2.0250 2.0250 2.8236 2.8236 3.1502 3.1502 3.2795 3.2795 3.7050 3.7050 4.1659 4.1659 4.2058 4.2058 4.3030 4.3030 4.4920 4.4920 4.6588 4.6588 4.7839 4.7839 5.3531 5.3531 5.5072 5.5072 5.7523 5.7523 6.2413 6.2413 7.5533 7.5533 8.3948 8.3948 12.3717 12.3717 12.5650 12.5650 12.8944 12.8944 13.7777 13.7777 k = 0.0854 0.3478-0.1073 ( 6748 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4773 -46.4773 -42.2974 -42.2974 -42.2923 -42.2923 -41.6037 -41.6037 -41.6020 -41.6020 -9.2864 -9.2864 -8.8471 -8.8471 -8.6241 -8.6241 -8.5742 -8.5742 0.1124 0.1124 0.7708 0.7708 1.5266 1.5266 1.7130 1.7130 1.9171 1.9171 2.0362 2.0362 2.8389 2.8389 3.1287 3.1287 3.3246 3.3246 3.7389 3.7389 4.1473 4.1473 4.2007 4.2007 4.2927 4.2927 4.4857 4.4857 4.6465 4.6465 4.7527 4.7527 5.3381 5.3381 5.4989 5.4989 5.7539 5.7539 6.2591 6.2591 7.5527 7.5527 8.4054 8.4054 12.3551 12.3551 12.5571 12.5571 12.8778 12.8778 13.7854 13.7854 k = 0.0732 0.3478-0.1073 ( 6746 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6020 -41.6020 -9.2907 -9.2907 -8.8473 -8.8473 -8.6258 -8.6258 -8.5755 -8.5755 0.1059 0.1059 0.7680 0.7680 1.5368 1.5368 1.7143 1.7143 1.9373 1.9373 2.0478 2.0478 2.8525 2.8525 3.1076 3.1076 3.3675 3.3675 3.7722 3.7722 4.1284 4.1284 4.1957 4.1957 4.2833 4.2833 4.4812 4.4812 4.6338 4.6338 4.7248 4.7248 5.3231 5.3231 5.4923 5.4923 5.7556 5.7556 6.2751 6.2751 7.5521 7.5521 8.4146 8.4146 12.3340 12.3340 12.5497 12.5497 12.8697 12.8697 13.7865 13.7865 k = 0.0610 0.3478-0.1073 ( 6750 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.2943 -9.2943 -8.8475 -8.8475 -8.6273 -8.6273 -8.5767 -8.5767 0.1004 0.1004 0.7656 0.7656 1.5454 1.5454 1.7152 1.7152 1.9538 1.9538 2.0595 2.0595 2.8643 2.8643 3.0880 3.0880 3.4067 3.4067 3.8044 3.8044 4.1094 4.1094 4.1908 4.1908 4.2749 4.2749 4.4787 4.4787 4.6201 4.6201 4.7014 4.7014 5.3088 5.3088 5.4873 5.4873 5.7573 5.7573 6.2890 6.2890 7.5516 7.5516 8.4225 8.4225 12.3115 12.3115 12.5431 12.5431 12.8674 12.8674 13.7834 13.7834 k = 0.0488 0.3478-0.1073 ( 6752 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.2972 -9.2972 -8.8476 -8.8476 -8.6285 -8.6285 -8.5776 -8.5776 0.0959 0.0959 0.7637 0.7637 1.5526 1.5526 1.7159 1.7159 1.9665 1.9665 2.0707 2.0707 2.8741 2.8741 3.0710 3.0710 3.4408 3.4408 3.8349 3.8349 4.0905 4.0905 4.1861 4.1861 4.2678 4.2678 4.4780 4.4780 4.6052 4.6052 4.6835 4.6835 5.2959 5.2959 5.4835 5.4835 5.7589 5.7589 6.3005 6.3005 7.5512 7.5512 8.4290 8.4290 12.2900 12.2900 12.5375 12.5375 12.8683 12.8683 13.7782 13.7782 k = 0.0366 0.3478-0.1073 ( 6756 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.2995 -9.2995 -8.8478 -8.8478 -8.6295 -8.6295 -8.5783 -8.5783 0.0923 0.0923 0.7622 0.7622 1.5581 1.5581 1.7163 1.7163 1.9759 1.9759 2.0807 2.0807 2.8819 2.8819 3.0570 3.0570 3.4688 3.4688 3.8627 3.8627 4.0722 4.0722 4.1818 4.1818 4.2621 4.2621 4.4789 4.4789 4.5899 4.5899 4.6710 4.6710 5.2852 5.2852 5.4807 5.4807 5.7603 5.7603 6.3097 6.3097 7.5509 7.5509 8.4341 8.4341 12.2715 12.2715 12.5329 12.5329 12.8708 12.8708 13.7725 13.7725 k = 0.0244 0.3478-0.1073 ( 6752 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.3012 -9.3012 -8.8479 -8.8479 -8.6302 -8.6302 -8.5789 -8.5789 0.0898 0.0898 0.7612 0.7612 1.5621 1.5621 1.7166 1.7166 1.9822 1.9822 2.0885 2.0885 2.8875 2.8875 3.0466 3.0466 3.4897 3.4897 3.8864 3.8864 4.0555 4.0555 4.1783 4.1783 4.2580 4.2580 4.4810 4.4810 4.5762 4.5762 4.6630 4.6630 5.2772 5.2772 5.4789 5.4789 5.7613 5.7613 6.3164 6.3164 7.5506 7.5506 8.4378 8.4378 12.2575 12.2575 12.5296 12.5296 12.8733 12.8733 13.7676 13.7676 k = 0.0122 0.3478-0.1073 ( 6746 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2921 -42.2921 -41.6036 -41.6036 -41.6019 -41.6019 -9.3022 -9.3022 -8.8479 -8.8479 -8.6306 -8.6306 -8.5792 -8.5792 0.0883 0.0883 0.7606 0.7606 1.5646 1.5646 1.7167 1.7167 1.9859 1.9859 2.0936 2.0936 2.8909 2.8909 3.0402 3.0402 3.5027 3.5027 3.9034 3.9034 4.0430 4.0430 4.1760 4.1760 4.2555 4.2555 4.4832 4.4832 4.5664 4.5664 4.6587 4.6587 5.2722 5.2722 5.4778 5.4778 5.7619 5.7619 6.3204 6.3204 7.5505 7.5505 8.4400 8.4400 12.2487 12.2487 12.5276 12.5276 12.8752 12.8752 13.7643 13.7643 k = 0.0000 0.3478-0.1073 ( 6748 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2921 -42.2921 -41.6036 -41.6036 -41.6019 -41.6019 -9.3025 -9.3025 -8.8480 -8.8480 -8.6307 -8.6307 -8.5793 -8.5793 0.0878 0.0878 0.7604 0.7604 1.5654 1.5654 1.7168 1.7168 1.9870 1.9870 2.0953 2.0953 2.8920 2.8920 3.0381 3.0381 3.5071 3.5071 3.9099 3.9099 4.0380 4.0380 4.1752 4.1752 4.2546 4.2546 4.4841 4.4841 4.5628 4.5628 4.6573 4.6573 5.2705 5.2705 5.4775 5.4775 5.7622 5.7622 6.3218 6.3218 7.5504 7.5504 8.4407 8.4407 12.2457 12.2457 12.5269 12.5269 12.8758 12.8758 13.7632 13.7632 k = 0.0000 0.3478-0.1073 ( 6748 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2921 -42.2921 -41.6036 -41.6036 -41.6019 -41.6019 -9.3025 -9.3025 -8.8480 -8.8480 -8.6307 -8.6307 -8.5793 -8.5793 0.0878 0.0878 0.7604 0.7604 1.5654 1.5654 1.7168 1.7168 1.9870 1.9870 2.0953 2.0953 2.8920 2.8920 3.0381 3.0381 3.5071 3.5071 3.9099 3.9099 4.0380 4.0380 4.1752 4.1752 4.2546 4.2546 4.4841 4.4841 4.5628 4.5628 4.6573 4.6573 5.2705 5.2705 5.4775 5.4775 5.7622 5.7622 6.3218 6.3218 7.5504 7.5504 8.4407 8.4407 12.2457 12.2457 12.5269 12.5269 12.8758 12.8758 13.7632 13.7632 k = 0.0000 0.3514-0.0958 ( 6754 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.3019 -9.3019 -8.8478 -8.8478 -8.6321 -8.6321 -8.5790 -8.5790 0.0904 0.0904 0.7600 0.7600 1.5662 1.5662 1.7053 1.7053 1.9971 1.9971 2.0988 2.0988 2.8891 2.8891 3.0387 3.0387 3.5003 3.5003 3.9077 3.9077 4.0273 4.0273 4.1759 4.1759 4.2571 4.2571 4.4940 4.4940 4.5666 4.5666 4.6607 4.6607 5.2710 5.2710 5.4771 5.4771 5.7607 5.7607 6.3210 6.3210 7.5490 7.5490 8.4359 8.4359 12.2489 12.2489 12.5284 12.5284 12.8760 12.8760 13.7650 13.7650 k = 0.0000 0.3550-0.0843 ( 6758 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4802 -46.4802 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.2999 -9.2999 -8.8472 -8.8472 -8.6360 -8.6360 -8.5781 -8.5781 0.0985 0.0985 0.7591 0.7591 1.5687 1.5687 1.6758 1.6758 2.0207 2.0207 2.1112 2.1112 2.8806 2.8806 3.0406 3.0406 3.4804 3.4804 3.9014 3.9014 3.9966 3.9966 4.1790 4.1790 4.2655 4.2655 4.5200 4.5200 4.5778 4.5778 4.6712 4.6712 5.2723 5.2723 5.4760 5.4760 5.7564 5.7564 6.3185 6.3185 7.5446 7.5446 8.4216 8.4216 12.2584 12.2584 12.5330 12.5330 12.8763 12.8763 13.7703 13.7703 k = 0.0000 0.3585-0.0727 ( 6760 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.2967 -9.2967 -8.8463 -8.8463 -8.6423 -8.6423 -8.5770 -8.5770 0.1119 0.1119 0.7577 0.7577 1.5727 1.5727 1.6363 1.6363 2.0451 2.0451 2.1372 2.1372 2.8666 2.8666 3.0437 3.0437 3.4483 3.4483 3.8911 3.8911 3.9511 3.9511 4.1849 4.1849 4.2805 4.2805 4.5546 4.5546 4.5963 4.5963 4.6888 4.6888 5.2747 5.2747 5.4742 5.4742 5.7493 5.7493 6.3143 6.3143 7.5374 7.5374 8.3981 8.3981 12.2740 12.2740 12.5405 12.5405 12.8770 12.8770 13.7789 13.7789 k = 0.0000 0.3621-0.0612 ( 6764 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2974 -42.2974 -42.2922 -42.2922 -41.6036 -41.6036 -41.6019 -41.6019 -9.2921 -9.2921 -8.8450 -8.8450 -8.6507 -8.6507 -8.5759 -8.5759 0.1306 0.1306 0.7557 0.7557 1.5748 1.5748 1.5957 1.5957 2.0633 2.0633 2.1781 2.1781 2.8476 2.8476 3.0479 3.0479 3.4054 3.4054 3.8721 3.8721 3.9018 3.9018 4.1926 4.1926 4.3017 4.3017 4.5912 4.5912 4.6218 4.6218 4.7135 4.7135 5.2779 5.2779 5.4718 5.4718 5.7395 5.7395 6.3085 6.3085 7.5274 7.5274 8.3658 8.3658 12.2956 12.2956 12.5508 12.5508 12.8780 12.8780 13.7902 13.7902 k = 0.0000 0.3657-0.0496 ( 6770 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4772 -46.4772 -42.2973 -42.2973 -42.2923 -42.2923 -41.6035 -41.6035 -41.6019 -41.6019 -9.2863 -9.2863 -8.8433 -8.8433 -8.6608 -8.6608 -8.5750 -8.5750 0.1546 0.1546 0.7533 0.7533 1.5413 1.5413 1.5904 1.5904 2.0772 2.0772 2.2290 2.2290 2.8243 2.8243 3.0530 3.0530 3.3533 3.3533 3.8214 3.8214 3.8767 3.8767 4.2014 4.2014 4.3283 4.3283 4.6257 4.6257 4.6541 4.6541 4.7444 4.7444 5.2821 5.2821 5.4687 5.4687 5.7271 5.7271 6.3010 6.3010 7.5148 7.5148 8.3252 8.3252 12.3226 12.3226 12.5635 12.5635 12.8793 12.8793 13.8038 13.8038 k = 0.0000 0.3692-0.0381 ( 6759 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4801 -46.4801 -46.4773 -46.4773 -42.2973 -42.2973 -42.2923 -42.2923 -41.6035 -41.6035 -41.6019 -41.6019 -9.2793 -9.2793 -8.8413 -8.8413 -8.6726 -8.6726 -8.5743 -8.5743 0.1837 0.1837 0.7505 0.7505 1.4950 1.4950 1.5992 1.5992 2.0896 2.0896 2.2851 2.2851 2.7975 2.7975 3.0587 3.0587 3.2936 3.2936 3.7559 3.7559 3.8625 3.8625 4.2109 4.2109 4.3590 4.3590 4.6580 4.6580 4.6915 4.6915 4.7799 4.7799 5.2873 5.2873 5.4651 5.4651 5.7124 5.7124 6.2918 6.2918 7.4998 7.4998 8.2771 8.2771 12.3549 12.3549 12.5784 12.5784 12.8810 12.8810 13.8188 13.8188 k = 0.0000 0.3728-0.0265 ( 6761 PWs) bands (ev): -77.6133 -77.6133 -77.6129 -77.6129 -46.4800 -46.4800 -46.4773 -46.4773 -42.2972 -42.2972 -42.2924 -42.2924 -41.6035 -41.6035 -41.6019 -41.6019 -9.2710 -9.2710 -8.8389 -8.8389 -8.6859 -8.6859 -8.5740 -8.5740 0.2179 0.2179 0.7474 0.7474 1.4482 1.4482 1.6105 1.6105 2.1020 2.1020 2.3432 2.3432 2.7682 2.7682 3.0637 3.0637 3.2282 3.2282 3.6874 3.6874 3.8499 3.8499 4.2208 4.2208 4.3927 4.3927 4.6899 4.6899 4.7313 4.7313 4.8179 4.8179 5.2934 5.2934 5.4608 5.4608 5.6955 5.6955 6.2810 6.2810 7.4825 7.4825 8.2222 8.2222 12.3920 12.3920 12.5950 12.5950 12.8830 12.8830 13.8342 13.8342 k = 0.0000 0.3763-0.0150 ( 6759 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4800 -46.4800 -46.4774 -46.4774 -42.2971 -42.2971 -42.2925 -42.2925 -41.6035 -41.6035 -41.6020 -41.6020 -9.2615 -9.2615 -8.8362 -8.8362 -8.7007 -8.7007 -8.5740 -8.5740 0.2572 0.2572 0.7441 0.7441 1.4022 1.4022 1.6235 1.6235 2.1149 2.1149 2.4010 2.4010 2.7383 2.7383 3.0637 3.0637 3.1625 3.1625 3.6181 3.6181 3.8383 3.8383 4.2310 4.2310 4.4289 4.4289 4.7220 4.7220 4.7727 4.7727 4.8563 4.8563 5.3005 5.3005 5.4560 5.4560 5.6767 5.6767 6.2685 6.2685 7.4632 7.4632 8.1614 8.1614 12.4335 12.4335 12.6129 12.6129 12.8854 12.8854 13.8486 13.8486 k = 0.0000 0.3799-0.0035 ( 6761 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4799 -46.4799 -46.4774 -46.4774 -42.2970 -42.2970 -42.2926 -42.2926 -41.6035 -41.6035 -41.6020 -41.6020 -9.2508 -9.2508 -8.8332 -8.8332 -8.7168 -8.7168 -8.5744 -8.5744 0.3012 0.3012 0.7406 0.7406 1.3572 1.3572 1.6382 1.6382 2.1284 2.1284 2.4550 2.4550 2.7110 2.7110 3.0364 3.0364 3.1194 3.1194 3.5491 3.5491 3.8278 3.8278 4.2415 4.2415 4.4667 4.4667 4.7546 4.7546 4.8148 4.8148 4.8937 4.8937 5.3086 5.3086 5.4507 5.4507 5.6565 5.6565 6.2543 6.2543 7.4422 7.4422 8.0954 8.0954 12.4789 12.4789 12.6317 12.6317 12.8879 12.8879 13.8604 13.8604 k = 0.0000 0.3835 0.0081 ( 6757 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4799 -46.4799 -46.4775 -46.4775 -42.2969 -42.2969 -42.2927 -42.2927 -41.6034 -41.6034 -41.6020 -41.6020 -9.2389 -9.2389 -8.8298 -8.8298 -8.7342 -8.7342 -8.5751 -8.5751 0.3501 0.3501 0.7371 0.7371 1.3136 1.3136 1.6544 1.6544 2.1421 2.1421 2.4983 2.4983 2.6937 2.6937 2.9672 2.9672 3.1143 3.1143 3.4810 3.4810 3.8188 3.8188 4.2521 4.2521 4.5058 4.5058 4.7876 4.7876 4.8570 4.8570 4.9291 4.9291 5.3178 5.3178 5.4450 5.4450 5.6352 5.6352 6.2385 6.2385 7.4198 7.4198 8.0251 8.0251 12.5279 12.5279 12.6508 12.6508 12.8905 12.8905 13.8678 13.8678 k = 0.0000 0.3870 0.0196 ( 6759 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4798 -46.4798 -46.4775 -46.4775 -42.2968 -42.2968 -42.2928 -42.2928 -41.6034 -41.6034 -41.6021 -41.6021 -9.2260 -9.2260 -8.8261 -8.8261 -8.7528 -8.7528 -8.5761 -8.5761 0.4035 0.4035 0.7337 0.7337 1.2715 1.2715 1.6720 1.6720 2.1557 2.1557 2.5182 2.5182 2.6994 2.6994 2.8830 2.8830 3.1208 3.1208 3.4142 3.4142 3.8114 3.8114 4.2626 4.2626 4.5456 4.5456 4.8208 4.8208 4.8987 4.8987 4.9622 4.9622 5.3281 5.3281 5.4389 5.4389 5.6135 5.6135 6.2209 6.2209 7.3962 7.3962 7.9514 7.9514 12.5802 12.5802 12.6696 12.6696 12.8930 12.8930 13.8685 13.8685 k = 0.0000 0.3906 0.0312 ( 6754 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4798 -46.4798 -46.4776 -46.4776 -42.2967 -42.2967 -42.2929 -42.2929 -41.6034 -41.6034 -41.6021 -41.6021 -9.2119 -9.2119 -8.8223 -8.8223 -8.7724 -8.7724 -8.5773 -8.5773 0.4613 0.4613 0.7305 0.7305 1.2310 1.2310 1.6908 1.6908 2.1680 2.1680 2.5111 2.5111 2.7315 2.7315 2.7944 2.7944 3.1303 3.1303 3.3491 3.3491 3.8060 3.8060 4.2727 4.2727 4.5859 4.5859 4.8538 4.8538 4.9389 4.9389 4.9927 4.9927 5.3394 5.3394 5.4323 5.4323 5.5921 5.5921 6.2018 6.2018 7.3719 7.3719 7.8751 7.8751 12.6353 12.6353 12.6880 12.6880 12.8951 12.8951 13.8603 13.8603 k = 0.0000 0.3942 0.0427 ( 6750 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4797 -46.4797 -46.4776 -46.4776 -42.2966 -42.2966 -42.2930 -42.2930 -41.6033 -41.6033 -41.6021 -41.6021 -9.1969 -9.1969 -8.8184 -8.8184 -8.7926 -8.7926 -8.5789 -8.5789 0.5232 0.5232 0.7277 0.7277 1.1922 1.1922 1.7105 1.7105 2.1775 2.1775 2.4902 2.4902 2.6976 2.6976 2.7843 2.7843 3.1409 3.1409 3.2859 3.2859 3.8028 3.8028 4.2821 4.2821 4.6262 4.6262 4.8862 4.8862 4.9766 4.9766 5.0212 5.0212 5.3515 5.3515 5.4252 5.4252 5.5722 5.5722 6.1809 6.1809 7.3473 7.3473 7.7969 7.7969 12.6911 12.6911 12.7069 12.7069 12.8964 12.8964 13.8412 13.8412 k = 0.0000 0.3977 0.0543 ( 6757 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4796 -46.4796 -46.4777 -46.4777 -42.2965 -42.2965 -42.2931 -42.2931 -41.6033 -41.6033 -41.6022 -41.6022 -9.1808 -9.1808 -8.8195 -8.8195 -8.8086 -8.8086 -8.5807 -8.5807 0.5890 0.5890 0.7254 0.7254 1.1552 1.1552 1.7309 1.7309 2.1817 2.1817 2.4674 2.4674 2.6044 2.6044 2.8378 2.8378 3.1518 3.1518 3.2254 3.2254 3.8021 3.8021 4.2904 4.2904 4.6662 4.6662 4.9173 4.9173 5.0103 5.0103 5.0488 5.0488 5.3637 5.3637 5.4174 5.4174 5.5550 5.5550 6.1584 6.1584 7.3227 7.3227 7.7178 7.7178 12.7179 12.7179 12.7554 12.7554 12.8967 12.8967 13.8101 13.8101 k = 0.0000 0.4013 0.0658 ( 6752 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4796 -46.4796 -46.4778 -46.4778 -42.2963 -42.2963 -42.2932 -42.2932 -41.6032 -41.6032 -41.6022 -41.6022 -9.1638 -9.1638 -8.8389 -8.8389 -8.8069 -8.8069 -8.5827 -8.5827 0.6579 0.6579 0.7244 0.7244 1.1203 1.1203 1.7512 1.7512 2.1777 2.1777 2.4471 2.4471 2.5132 2.5132 2.8919 2.8919 3.1572 3.1572 3.1737 3.1737 3.8041 3.8041 4.2972 4.2972 4.7055 4.7055 4.9463 4.9463 5.0384 5.0384 5.0771 5.0771 5.3747 5.3747 5.4093 5.4093 5.5427 5.5427 6.1342 6.1342 7.2987 7.2987 7.6383 7.6383 12.7313 12.7313 12.8172 12.8172 12.8957 12.8957 13.7669 13.7669 k = 0.0000 0.4048 0.0774 ( 6754 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4795 -46.4795 -46.4779 -46.4779 -42.2962 -42.2962 -42.2934 -42.2934 -41.6032 -41.6032 -41.6023 -41.6023 -9.1459 -9.1459 -8.8618 -8.8618 -8.8021 -8.8021 -8.5849 -8.5849 0.7148 0.7148 0.7391 0.7391 1.0878 1.0878 1.7707 1.7707 2.1631 2.1631 2.4002 2.4002 2.4597 2.4597 2.9406 2.9406 3.1145 3.1145 3.1768 3.1768 3.8092 3.8092 4.3020 4.3020 4.7438 4.7438 4.9721 4.9721 5.0612 5.0612 5.1063 5.1063 5.3811 5.3811 5.4025 5.4025 5.5373 5.5373 6.1084 6.1084 7.2757 7.2757 7.5594 7.5594 12.7418 12.7418 12.8771 12.8771 12.8971 12.8971 13.7128 13.7128 k = 0.0000 0.4084 0.0889 ( 6764 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4794 -46.4794 -46.4780 -46.4780 -42.2961 -42.2961 -42.2935 -42.2935 -41.6031 -41.6031 -41.6023 -41.6023 -9.1272 -9.1272 -8.8856 -8.8856 -8.7968 -8.7968 -8.5873 -8.5873 0.7193 0.7193 0.8089 0.8089 1.0586 1.0586 1.7874 1.7874 2.1380 2.1380 2.3144 2.3144 2.4591 2.4591 2.9689 2.9689 3.0842 3.0842 3.1876 3.1876 3.8177 3.8177 4.3043 4.3043 4.7806 4.7806 4.9934 4.9934 5.0808 5.0808 5.1353 5.1353 5.3783 5.3783 5.4003 5.4003 5.5409 5.5409 6.0810 6.0810 7.2541 7.2541 7.4817 7.4817 12.7493 12.7493 12.8842 12.8842 12.9508 12.9508 13.6495 13.6495 k = 0.0000 0.4120 0.1004 ( 6767 PWs) bands (ev): -77.6132 -77.6132 -77.6130 -77.6130 -46.4793 -46.4793 -46.4780 -46.4780 -42.2959 -42.2959 -42.2937 -42.2937 -41.6031 -41.6031 -41.6024 -41.6024 -9.1078 -9.1078 -8.9100 -8.9100 -8.7912 -8.7912 -8.5898 -8.5898 0.7202 0.7202 0.8817 0.8817 1.0361 1.0361 1.7982 1.7982 2.1044 2.1044 2.2305 2.2305 2.4728 2.4728 2.9515 2.9515 3.0983 3.0983 3.1985 3.1985 3.8297 3.8297 4.3035 4.3035 4.8155 4.8155 5.0091 5.0091 5.0991 5.0991 5.1631 5.1631 5.3693 5.3693 5.3998 5.3998 5.5538 5.5538 6.0521 6.0521 7.2345 7.2345 7.4060 7.4060 12.7538 12.7538 12.8762 12.8762 13.0185 13.0185 13.5791 13.5791 k = 0.5000 0.2837 0.3151 ( 6826 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6058 -41.6058 -41.6030 -41.6030 -8.9102 -8.9102 -8.9096 -8.9096 -8.5794 -8.5794 -8.5621 -8.5621 0.4666 0.4666 0.4974 0.4974 1.1346 1.1346 1.1387 1.1387 2.0310 2.0310 2.0407 2.0407 2.4749 2.4749 2.4812 2.4812 3.2803 3.2803 3.3537 3.3537 4.0400 4.0400 4.1229 4.1229 4.4140 4.4140 4.4706 4.4706 4.8149 4.8149 4.8537 4.8537 5.7351 5.7351 5.7411 5.7411 6.0293 6.0293 6.0562 6.0562 7.7280 7.7280 7.8399 7.8399 12.3026 12.3026 12.3308 12.3308 13.5707 13.5707 13.5955 13.5955 k = 0.5000 0.2719 0.3151 ( 6820 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6058 -41.6058 -41.6030 -41.6030 -8.9100 -8.9100 -8.9095 -8.9095 -8.5800 -8.5800 -8.5625 -8.5625 0.4584 0.4584 0.4895 0.4895 1.1369 1.1369 1.1402 1.1402 2.0548 2.0548 2.0649 2.0649 2.4927 2.4927 2.4999 2.4999 3.2645 3.2645 3.3372 3.3372 4.0276 4.0276 4.1069 4.1069 4.3978 4.3978 4.4600 4.4600 4.8088 4.8088 4.8448 4.8448 5.7432 5.7432 5.7518 5.7518 6.0369 6.0369 6.0645 6.0645 7.7135 7.7135 7.8271 7.8271 12.2893 12.2893 12.3164 12.3164 13.5787 13.5787 13.6030 13.6030 k = 0.5000 0.2601 0.3151 ( 6818 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6059 -41.6059 -41.6029 -41.6029 -8.9100 -8.9100 -8.9094 -8.9094 -8.5805 -8.5805 -8.5628 -8.5628 0.4501 0.4501 0.4816 0.4816 1.1410 1.1410 1.1435 1.1435 2.0788 2.0788 2.0894 2.0894 2.5105 2.5105 2.5186 2.5186 3.2473 3.2473 3.3191 3.3191 4.0124 4.0124 4.0879 4.0879 4.3829 4.3829 4.4504 4.4504 4.8031 4.8031 4.8368 4.8368 5.7517 5.7517 5.7628 5.7628 6.0446 6.0446 6.0728 6.0728 7.6981 7.6981 7.8136 7.8136 12.2758 12.2758 12.3020 12.3020 13.5837 13.5837 13.6071 13.6071 k = 0.5000 0.2482 0.3151 ( 6814 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6059 -41.6059 -41.6029 -41.6029 -8.9100 -8.9100 -8.9095 -8.9095 -8.5810 -8.5810 -8.5632 -8.5632 0.4419 0.4419 0.4736 0.4736 1.1471 1.1471 1.1488 1.1488 2.1030 2.1030 2.1141 2.1141 2.5280 2.5280 2.5371 2.5371 3.2289 3.2289 3.2997 3.2997 3.9946 3.9946 4.0662 4.0662 4.3694 4.3694 4.4419 4.4419 4.7978 4.7978 4.8296 4.8296 5.7605 5.7605 5.7740 5.7740 6.0523 6.0523 6.0810 6.0810 7.6821 7.6821 7.7995 7.7995 12.2626 12.2626 12.2880 12.2880 13.5849 13.5849 13.6071 13.6071 k = 0.5000 0.2364 0.3151 ( 6816 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9101 -8.9101 -8.9096 -8.9096 -8.5814 -8.5814 -8.5634 -8.5634 0.4336 0.4336 0.4656 0.4656 1.1550 1.1550 1.1559 1.1559 2.1271 2.1271 2.1387 2.1387 2.5453 2.5453 2.5555 2.5555 3.2095 3.2095 3.2793 3.2793 3.9743 3.9743 4.0422 4.0422 4.3572 4.3572 4.4344 4.4344 4.7928 4.7928 4.8231 4.8231 5.7696 5.7696 5.7850 5.7850 6.0600 6.0600 6.0891 6.0891 7.6657 7.6657 7.7851 7.7851 12.2501 12.2501 12.2748 12.2748 13.5817 13.5817 13.6024 13.6024 k = 0.5000 0.2246 0.3151 ( 6808 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9103 -8.9103 -8.9098 -8.9098 -8.5818 -8.5818 -8.5636 -8.5636 0.4253 0.4253 0.4576 0.4576 1.1649 1.1649 1.1649 1.1649 2.1511 2.1511 2.1632 2.1632 2.5622 2.5622 2.5734 2.5734 3.1894 3.1894 3.2581 3.2581 3.9518 3.9518 4.0163 4.0163 4.3465 4.3465 4.4278 4.4278 4.7882 4.7882 4.8175 4.8175 5.7786 5.7786 5.7959 5.7959 6.0677 6.0677 6.0970 6.0970 7.6491 7.6491 7.7704 7.7704 12.2386 12.2386 12.2629 12.2629 13.5737 13.5737 13.5926 13.5926 k = 0.5000 0.2128 0.3151 ( 6800 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9105 -8.9105 -8.9101 -8.9101 -8.5821 -8.5821 -8.5638 -8.5638 0.4171 0.4171 0.4496 0.4496 1.1757 1.1757 1.1766 1.1766 2.1748 2.1748 2.1874 2.1874 2.5784 2.5784 2.5908 2.5908 3.1688 3.1688 3.2365 3.2365 3.9277 3.9277 3.9889 3.9889 4.3369 4.3369 4.4220 4.4220 4.7839 4.7839 4.8125 4.8125 5.7875 5.7875 5.8063 5.8063 6.0751 6.0751 6.1046 6.1046 7.6325 7.6325 7.7556 7.7556 12.2286 12.2286 12.2525 12.2525 13.5605 13.5605 13.5775 13.5775 k = 0.5000 0.2010 0.3151 ( 6802 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9108 -8.9108 -8.9105 -8.9105 -8.5824 -8.5824 -8.5639 -8.5639 0.4090 0.4090 0.4417 0.4417 1.1882 1.1882 1.1899 1.1899 2.1980 2.1980 2.2111 2.2111 2.5938 2.5938 2.6074 2.6074 3.1480 3.1480 3.2147 3.2147 3.9024 3.9024 3.9606 3.9606 4.3282 4.3282 4.4168 4.4168 4.7799 4.7799 4.8081 4.8081 5.7962 5.7962 5.8162 5.8162 6.0823 6.0823 6.1119 6.1119 7.6160 7.6160 7.7410 7.7410 12.2203 12.2203 12.2440 12.2440 13.5422 13.5422 13.5571 13.5571 k = 0.5000 0.1891 0.3151 ( 6796 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9112 -8.9112 -8.9108 -8.9108 -8.5826 -8.5826 -8.5640 -8.5640 0.4010 0.4010 0.4339 0.4339 1.2022 1.2022 1.2049 1.2049 2.2206 2.2206 2.2343 2.2343 2.6081 2.6081 2.6230 2.6230 3.1272 3.1272 3.1930 3.1930 3.8764 3.8764 3.9318 3.9318 4.3203 4.3203 4.4121 4.4121 4.7762 4.7762 4.8043 4.8043 5.8046 5.8046 5.8255 5.8255 6.0892 6.0892 6.1187 6.1187 7.5999 7.5999 7.7267 7.7267 12.2140 12.2140 12.2376 12.2376 13.5189 13.5189 13.5317 13.5317 k = 0.5000 0.1773 0.3151 ( 6794 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9116 -8.9116 -8.9113 -8.9113 -8.5828 -8.5828 -8.5641 -8.5641 0.3932 0.3932 0.4262 0.4262 1.2177 1.2177 1.2212 1.2212 2.2424 2.2424 2.2566 2.2566 2.6210 2.6210 2.6372 2.6372 3.1069 3.1069 3.1718 3.1718 3.8501 3.8501 3.9031 3.9031 4.3131 4.3131 4.4078 4.4078 4.7727 4.7727 4.8009 4.8009 5.8125 5.8125 5.8340 5.8340 6.0958 6.0958 6.1252 6.1252 7.5842 7.5842 7.7127 7.7127 12.2098 12.2098 12.2335 12.2335 13.4910 13.4910 13.5018 13.5018 k = 0.5000 0.1655 0.3151 ( 6800 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9120 -8.9120 -8.9117 -8.9117 -8.5829 -8.5829 -8.5642 -8.5642 0.3855 0.3855 0.4187 0.4187 1.2345 1.2345 1.2389 1.2389 2.2633 2.2633 2.2781 2.2781 2.6323 2.6323 2.6497 2.6497 3.0873 3.0873 3.1515 3.1515 3.8241 3.8241 3.8749 3.8749 4.3063 4.3063 4.4038 4.4038 4.7694 4.7694 4.7978 4.7978 5.8199 5.8199 5.8416 5.8416 6.1019 6.1019 6.1311 6.1311 7.5693 7.5693 7.6994 7.6994 12.2080 12.2080 12.2317 12.2317 13.4589 13.4589 13.4679 13.4679 k = 0.5000 0.1537 0.3151 ( 6790 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9125 -8.9125 -8.9122 -8.9122 -8.5830 -8.5830 -8.5642 -8.5642 0.3782 0.3782 0.4115 0.4115 1.2523 1.2523 1.2576 1.2576 2.2832 2.2832 2.2985 2.2985 2.6416 2.6416 2.6603 2.6603 3.0689 3.0689 3.1325 3.1325 3.7987 3.7987 3.8475 3.8475 4.2999 4.2999 4.4001 4.4001 4.7663 4.7663 4.7951 4.7951 5.8268 5.8268 5.8484 5.8484 6.1075 6.1075 6.1366 6.1366 7.5552 7.5552 7.6867 7.6867 12.2085 12.2085 12.2325 12.2325 13.4233 13.4233 13.4307 13.4307 k = 0.5000 0.1419 0.3151 ( 6786 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6029 -41.6029 -8.9129 -8.9129 -8.9127 -8.9127 -8.5831 -8.5831 -8.5642 -8.5642 0.3712 0.3712 0.4045 0.4045 1.2709 1.2709 1.2771 1.2771 2.3018 2.3018 2.3177 2.3177 2.6487 2.6487 2.6686 2.6686 3.0521 3.0521 3.1153 3.1153 3.7744 3.7744 3.8213 3.8213 4.2937 4.2937 4.3965 4.3965 4.7633 4.7633 4.7927 4.7927 5.8331 5.8331 5.8544 5.8544 6.1127 6.1127 6.1415 6.1415 7.5420 7.5420 7.6748 7.6748 12.2114 12.2114 12.2358 12.2358 13.3849 13.3849 13.3908 13.3908 k = 0.5000 0.1300 0.3151 ( 6776 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9134 -8.9134 -8.9132 -8.9132 -8.5832 -8.5832 -8.5642 -8.5642 0.3646 0.3646 0.3979 0.3979 1.2901 1.2901 1.2971 1.2971 2.3190 2.3190 2.3356 2.3356 2.6534 2.6534 2.6744 2.6744 3.0372 3.0372 3.1001 3.1001 3.7514 3.7514 3.7966 3.7966 4.2879 4.2879 4.3932 4.3932 4.7606 4.7606 4.7905 4.7905 5.8387 5.8387 5.8596 5.8596 6.1174 6.1174 6.1458 6.1458 7.5299 7.5299 7.6639 7.6639 12.2167 12.2167 12.2415 12.2415 13.3443 13.3443 13.3490 13.3490 k = 0.5000 0.1182 0.3151 ( 6780 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9138 -8.9138 -8.9136 -8.9136 -8.5832 -8.5832 -8.5642 -8.5642 0.3584 0.3584 0.3917 0.3917 1.3095 1.3095 1.3174 1.3174 2.3347 2.3347 2.3520 2.3520 2.6555 2.6555 2.6775 2.6775 3.0245 3.0245 3.0872 3.0872 3.7299 3.7299 3.7737 3.7737 4.2822 4.2822 4.3900 4.3900 4.7580 4.7580 4.7885 4.7885 5.8438 5.8438 5.8639 5.8639 6.1215 6.1215 6.1497 6.1497 7.5188 7.5188 7.6538 7.6538 12.2242 12.2242 12.2496 12.2496 13.3023 13.3023 13.3061 13.3061 k = 0.5000 0.1064 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9143 -8.9143 -8.9141 -8.9141 -8.5832 -8.5832 -8.5641 -8.5641 0.3526 0.3526 0.3859 0.3859 1.3288 1.3288 1.3376 1.3376 2.3487 2.3487 2.3668 2.3668 2.6553 2.6553 2.6781 2.6781 3.0140 3.0140 3.0768 3.0768 3.7103 3.7103 3.7528 3.7528 4.2767 4.2767 4.3870 4.3870 4.7556 4.7556 4.7867 4.7867 5.8482 5.8482 5.8674 5.8674 6.1252 6.1252 6.1530 6.1530 7.5088 7.5088 7.6446 7.6446 12.2337 12.2337 12.2598 12.2598 13.2598 13.2598 13.2628 13.2628 k = 0.5000 0.0946 0.3151 ( 6794 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9147 -8.9147 -8.9145 -8.9145 -8.5833 -8.5833 -8.5641 -8.5641 0.3473 0.3473 0.3807 0.3807 1.3476 1.3476 1.3573 1.3573 2.3609 2.3609 2.3799 2.3799 2.6531 2.6531 2.6764 2.6764 3.0059 3.0059 3.0689 3.0689 3.6926 3.6926 3.7340 3.7340 4.2715 4.2715 4.3842 4.3842 4.7533 4.7533 4.7850 4.7850 5.8520 5.8520 5.8702 5.8702 6.1283 6.1283 6.1558 6.1558 7.4999 7.4999 7.6365 7.6365 12.2450 12.2450 12.2718 12.2718 13.2174 13.2174 13.2200 13.2200 k = 0.5000 0.0827 0.3151 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9151 -8.9151 -8.9149 -8.9149 -8.5833 -8.5833 -8.5641 -8.5641 0.3425 0.3425 0.3759 0.3759 1.3656 1.3656 1.3761 1.3761 2.3712 2.3712 2.3912 2.3912 2.6494 2.6494 2.6730 2.6730 2.9998 2.9998 3.0632 3.0632 3.6770 3.6770 3.7173 3.7173 4.2668 4.2668 4.3817 4.3817 4.7514 4.7514 4.7836 4.7836 5.8553 5.8553 5.8725 5.8725 6.1311 6.1311 6.1582 6.1582 7.4922 7.4922 7.6294 7.6294 12.2577 12.2577 12.2852 12.2852 13.1761 13.1761 13.1785 13.1785 k = 0.5000 0.0709 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9155 -8.9155 -8.9153 -8.9153 -8.5833 -8.5833 -8.5640 -8.5640 0.3384 0.3384 0.3717 0.3717 1.3824 1.3824 1.3937 1.3937 2.3796 2.3796 2.4007 2.4007 2.6447 2.6447 2.6685 2.6685 2.9955 2.9955 3.0593 3.0593 3.6635 3.6635 3.7030 3.7030 4.2623 4.2623 4.3793 4.3793 4.7496 4.7496 4.7823 4.7823 5.8580 5.8580 5.8742 5.8742 6.1334 6.1334 6.1602 6.1602 7.4856 7.4856 7.6233 7.6233 12.2711 12.2711 12.2996 12.2996 13.1368 13.1368 13.1393 13.1393 k = 0.5000 0.0591 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9158 -8.9158 -8.9156 -8.9156 -8.5833 -8.5833 -8.5640 -8.5640 0.3348 0.3348 0.3681 0.3681 1.3975 1.3975 1.4096 1.4096 2.3860 2.3860 2.4082 2.4082 2.6398 2.6398 2.6634 2.6634 2.9926 2.9926 3.0569 3.0569 3.6522 3.6522 3.6909 3.6909 4.2584 4.2584 4.3772 4.3772 4.7481 4.7481 4.7812 4.7812 5.8603 5.8603 5.8755 5.8755 6.1352 6.1352 6.1618 6.1618 7.4801 7.4801 7.6181 7.6181 12.2847 12.2847 12.3142 12.3142 13.1005 13.1005 13.1033 13.1033 k = 0.5000 0.0473 0.3151 ( 6786 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9160 -8.9160 -8.9159 -8.9159 -8.5833 -8.5833 -8.5639 -8.5639 0.3318 0.3318 0.3652 0.3652 1.4106 1.4106 1.4233 1.4233 2.3908 2.3908 2.4140 2.4140 2.6352 2.6352 2.6585 2.6585 2.9907 2.9907 3.0556 3.0556 3.6430 3.6430 3.6811 3.6811 4.2550 4.2550 4.3755 4.3755 4.7468 4.7468 4.7803 4.7803 5.8620 5.8620 5.8763 5.8763 6.1367 6.1367 6.1630 6.1630 7.4757 7.4757 7.6139 7.6139 12.2978 12.2978 12.3281 12.3281 13.0685 13.0685 13.0715 13.0715 k = 0.5000 0.0355 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9162 -8.9162 -8.9161 -8.9161 -8.5833 -8.5833 -8.5639 -8.5639 0.3295 0.3295 0.3628 0.3628 1.4212 1.4212 1.4345 1.4345 2.3940 2.3940 2.4182 2.4182 2.6312 2.6312 2.6543 2.6543 2.9895 2.9895 3.0549 3.0549 3.6359 3.6359 3.6735 3.6735 4.2524 4.2524 4.3741 4.3741 4.7458 4.7458 4.7796 4.7796 5.8634 5.8634 5.8770 5.8770 6.1379 6.1379 6.1640 6.1640 7.4722 7.4722 7.6107 7.6107 12.3093 12.3093 12.3405 12.3405 13.0417 13.0417 13.0452 13.0452 k = 0.5000 0.0236 0.3151 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9164 -8.9164 -8.9162 -8.9162 -8.5833 -8.5833 -8.5639 -8.5639 0.3278 0.3278 0.3611 0.3611 1.4291 1.4291 1.4428 1.4428 2.3960 2.3960 2.4210 2.4210 2.6283 2.6283 2.6510 2.6510 2.9889 2.9889 3.0546 3.0546 3.6308 3.6308 3.6682 3.6682 4.2503 4.2503 4.3730 4.3730 4.7451 4.7451 4.7791 4.7791 5.8643 5.8643 5.8773 5.8773 6.1387 6.1387 6.1646 6.1646 7.4698 7.4698 7.6084 7.6084 12.3184 12.3184 12.3504 12.3504 13.0215 13.0215 13.0254 13.0254 k = 0.5000 0.0118 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9165 -8.9165 -8.9163 -8.9163 -8.5833 -8.5833 -8.5639 -8.5639 0.3268 0.3268 0.3601 0.3601 1.4339 1.4339 1.4479 1.4479 2.3970 2.3970 2.4225 2.4225 2.6265 2.6265 2.6490 2.6490 2.9886 2.9886 3.0546 3.0546 3.6278 3.6278 3.6650 3.6650 4.2491 4.2491 4.3724 4.3724 4.7447 4.7447 4.7788 4.7788 5.8649 5.8649 5.8776 5.8776 6.1392 6.1392 6.1650 6.1650 7.4684 7.4684 7.6071 7.6071 12.3243 12.3243 12.3568 12.3568 13.0088 13.0088 13.0131 13.0131 k = 0.5000-0.0000 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9165 -8.9165 -8.9163 -8.9163 -8.5833 -8.5833 -8.5639 -8.5639 0.3265 0.3265 0.3598 0.3598 1.4355 1.4355 1.4496 1.4496 2.3973 2.3973 2.4230 2.4230 2.6259 2.6259 2.6483 2.6483 2.9885 2.9885 3.0545 3.0545 3.6268 3.6268 3.6639 3.6639 4.2487 4.2487 4.3722 4.3722 4.7445 4.7445 4.7787 4.7787 5.8651 5.8651 5.8776 5.8776 6.1393 6.1393 6.1651 6.1651 7.4679 7.4679 7.6066 7.6066 12.3263 12.3263 12.3590 12.3590 13.0045 13.0045 13.0089 13.0089 k = 0.5000-0.0000 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9165 -8.9165 -8.9163 -8.9163 -8.5833 -8.5833 -8.5639 -8.5639 0.3265 0.3265 0.3598 0.3598 1.4355 1.4355 1.4496 1.4496 2.3973 2.3973 2.4230 2.4230 2.6259 2.6259 2.6483 2.6483 2.9885 2.9885 3.0545 3.0545 3.6268 3.6268 3.6639 3.6639 4.2487 4.2487 4.3722 4.3722 4.7445 4.7445 4.7787 4.7787 5.8651 5.8651 5.8776 5.8776 6.1393 6.1393 6.1651 6.1651 7.4679 7.4679 7.6066 7.6066 12.3263 12.3263 12.3590 12.3590 13.0045 13.0045 13.0089 13.0089 k = 0.5000-0.0000 0.3030 ( 6782 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9167 -8.9167 -8.9165 -8.9165 -8.5830 -8.5830 -8.5637 -8.5637 0.3276 0.3276 0.3609 0.3609 1.4361 1.4361 1.4501 1.4501 2.3943 2.3943 2.4199 2.4199 2.6203 2.6203 2.6422 2.6422 2.9922 2.9922 3.0592 3.0592 3.6242 3.6242 3.6629 3.6629 4.2549 4.2549 4.3765 4.3765 4.7460 4.7460 4.7806 4.7806 5.8647 5.8647 5.8771 5.8771 6.1385 6.1385 6.1641 6.1641 7.4687 7.4687 7.6073 7.6073 12.3192 12.3192 12.3515 12.3515 13.0121 13.0121 13.0162 13.0162 k = 0.5000-0.0000 0.2909 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9173 -8.9173 -8.9171 -8.9171 -8.5823 -8.5823 -8.5631 -8.5631 0.3311 0.3311 0.3643 0.3643 1.4378 1.4378 1.4516 1.4516 2.3851 2.3851 2.4104 2.4104 2.6051 2.6051 2.6253 2.6253 3.0017 3.0017 3.0713 3.0713 3.6174 3.6174 3.6606 3.6606 4.2726 4.2726 4.3890 4.3890 4.7505 4.7505 4.7864 4.7864 5.8635 5.8635 5.8758 5.8758 6.1359 6.1359 6.1612 6.1612 7.4712 7.4712 7.6093 7.6093 12.2988 12.2988 12.3299 12.3299 13.0337 13.0337 13.0370 13.0370 k = 0.5000-0.0000 0.2788 ( 6786 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9183 -8.9183 -8.9181 -8.9181 -8.5811 -8.5811 -8.5621 -8.5621 0.3368 0.3368 0.3698 0.3698 1.4407 1.4407 1.4542 1.4542 2.3693 2.3693 2.3939 2.3939 2.5834 2.5834 2.6017 2.6017 3.0133 3.0133 3.0860 3.0860 3.6097 3.6097 3.6588 3.6588 4.3001 4.3001 4.4087 4.4087 4.7579 4.7579 4.7959 4.7959 5.8615 5.8615 5.8734 5.8734 6.1316 6.1316 6.1563 6.1563 7.4753 7.4753 7.6127 7.6127 12.2675 12.2675 12.2972 12.2972 13.0665 13.0665 13.0688 13.0688 k = 0.5000-0.0000 0.2667 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9197 -8.9197 -8.9194 -8.9194 -8.5794 -8.5794 -8.5607 -8.5607 0.3448 0.3448 0.3776 0.3776 1.4447 1.4447 1.4578 1.4578 2.3466 2.3466 2.3699 2.3699 2.5588 2.5588 2.5752 2.5752 3.0228 3.0228 3.0976 3.0976 3.6058 3.6058 3.6603 3.6603 4.3350 4.3350 4.4343 4.4343 4.7681 4.7681 4.8089 4.8089 5.8587 5.8587 5.8700 5.8700 6.1257 6.1257 6.1495 6.1495 7.4811 7.4811 7.6175 7.6175 12.2282 12.2282 12.2564 12.2564 13.1073 13.1073 13.1087 13.1087 k = 0.5000-0.0000 0.2545 ( 6786 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9214 -8.9214 -8.9210 -8.9210 -8.5773 -8.5773 -8.5591 -8.5591 0.3550 0.3550 0.3875 0.3875 1.4498 1.4498 1.4624 1.4624 2.3170 2.3170 2.3381 2.3381 2.5338 2.5338 2.5490 2.5490 3.0265 3.0265 3.1013 3.1013 3.6101 3.6101 3.6676 3.6676 4.3753 4.3753 4.4643 4.4643 4.7809 4.7809 4.8253 4.8253 5.8551 5.8551 5.8657 5.8657 6.1182 6.1182 6.1409 6.1409 7.4884 7.4884 7.6235 7.6235 12.1836 12.1836 12.2103 12.2103 13.1532 13.1532 13.1539 13.1539 k = 0.5000-0.0000 0.2424 ( 6770 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2973 -42.2973 -42.2928 -42.2928 -41.6059 -41.6059 -41.6029 -41.6029 -8.9234 -8.9234 -8.9229 -8.9229 -8.5749 -8.5749 -8.5571 -8.5571 0.3675 0.3675 0.3996 0.3996 1.4561 1.4561 1.4679 1.4679 2.2810 2.2810 2.2992 2.2992 2.5099 2.5099 2.5243 2.5243 3.0221 3.0221 3.0940 3.0940 3.6254 3.6254 3.6826 3.6826 4.4191 4.4191 4.4975 4.4975 4.7963 4.7963 4.8447 4.8447 5.8506 5.8506 5.8602 5.8602 6.1092 6.1092 6.1304 6.1304 7.4975 7.4975 7.6308 7.6308 12.1358 12.1358 12.1611 12.1611 13.2018 13.2018 13.2021 13.2021 k = 0.5000-0.0000 0.2303 ( 6766 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2973 -42.2973 -42.2929 -42.2929 -41.6058 -41.6058 -41.6029 -41.6029 -8.9256 -8.9256 -8.9251 -8.9251 -8.5721 -8.5721 -8.5548 -8.5548 0.3821 0.3821 0.4138 0.4138 1.4633 1.4633 1.4742 1.4742 2.2397 2.2397 2.2544 2.2544 2.4872 2.4872 2.5014 2.5014 3.0089 3.0089 3.0753 3.0753 3.6523 3.6523 3.7062 3.7062 4.4648 4.4648 4.5326 4.5326 4.8139 4.8139 4.8667 4.8667 5.8452 5.8452 5.8535 5.8535 6.0988 6.0988 6.1183 6.1183 7.5081 7.5081 7.6393 7.6393 12.0864 12.0864 12.1103 12.1103 13.2515 13.2515 13.2516 13.2516 k = 0.5000-0.0000 0.2182 ( 6760 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2972 -42.2972 -42.2930 -42.2930 -41.6058 -41.6058 -41.6030 -41.6030 -8.9281 -8.9281 -8.9274 -8.9274 -8.5690 -8.5690 -8.5524 -8.5524 0.3989 0.3989 0.4302 0.4302 1.4716 1.4716 1.4814 1.4814 2.1944 2.1944 2.2053 2.2053 2.4657 2.4657 2.4798 2.4798 2.9875 2.9875 3.0470 3.0470 3.6893 3.6893 3.7379 3.7379 4.5113 4.5113 4.5688 4.5688 4.8335 4.8335 4.8909 4.8909 5.8389 5.8389 5.8455 5.8455 6.0871 6.0871 6.1045 6.1045 7.5203 7.5203 7.6489 7.6489 12.0366 12.0366 12.0591 12.0591 13.3008 13.3008 13.3008 13.3008 k = 0.5000-0.0000 0.2061 ( 6762 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4787 -46.4787 -42.2972 -42.2972 -42.2930 -42.2930 -41.6057 -41.6057 -41.6030 -41.6030 -8.9307 -8.9307 -8.9300 -8.9300 -8.5657 -8.5657 -8.5497 -8.5497 0.4178 0.4178 0.4485 0.4485 1.4809 1.4809 1.4892 1.4892 2.1465 2.1465 2.1531 2.1531 2.4447 2.4447 2.4589 2.4589 2.9592 2.9592 3.0115 3.0115 3.7340 3.7340 3.7765 3.7765 4.5578 4.5578 4.6055 4.6055 4.8549 4.8549 4.9168 4.9168 5.8315 5.8315 5.8360 5.8360 6.0743 6.0743 6.0892 6.0892 7.5339 7.5339 7.6595 7.6595 11.9872 11.9872 12.0085 12.0085 13.3487 13.3487 13.3489 13.3489 k = 0.5000-0.0000 0.1939 ( 6768 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4787 -46.4787 -42.2971 -42.2971 -42.2931 -42.2931 -41.6057 -41.6057 -41.6031 -41.6031 -8.9335 -8.9335 -8.9327 -8.9327 -8.5623 -8.5623 -8.5470 -8.5470 0.4388 0.4388 0.4688 0.4688 1.4910 1.4910 1.4975 1.4975 2.0969 2.0969 2.0991 2.0991 2.4240 2.4240 2.4383 2.4383 2.9258 2.9258 2.9713 2.9713 3.7842 3.7842 3.8206 3.8206 4.6036 4.6036 4.6422 4.6422 4.8777 4.8777 4.9437 4.9437 5.8231 5.8231 5.8250 5.8250 6.0606 6.0606 6.0726 6.0726 7.5489 7.5489 7.6710 7.6710 11.9389 11.9389 11.9590 11.9590 13.3944 13.3944 13.3948 13.3948 k = 0.5000-0.0000 0.1818 ( 6766 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4787 -46.4787 -42.2970 -42.2970 -42.2932 -42.2932 -41.6056 -41.6056 -41.6031 -41.6031 -8.9363 -8.9363 -8.9355 -8.9355 -8.5587 -8.5587 -8.5441 -8.5441 0.4618 0.4618 0.4910 0.4910 1.5019 1.5019 1.5062 1.5062 2.0440 2.0440 2.0466 2.0466 2.4034 2.4034 2.4177 2.4177 2.8889 2.8889 2.9285 2.9285 3.8381 3.8381 3.8687 3.8687 4.6482 4.6482 4.6787 4.6787 4.9017 4.9017 4.9713 4.9713 5.8123 5.8123 5.8135 5.8135 6.0462 6.0462 6.0549 6.0549 7.5653 7.5653 7.6833 7.6833 11.8923 11.8923 11.9112 11.9112 13.4372 13.4372 13.4379 13.4379 k = 0.5000-0.0000 0.1697 ( 6766 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4787 -46.4787 -42.2969 -42.2969 -42.2933 -42.2933 -41.6056 -41.6056 -41.6032 -41.6032 -8.9392 -8.9392 -8.9383 -8.9383 -8.5550 -8.5550 -8.5413 -8.5413 0.4866 0.4866 0.5151 0.5151 1.5135 1.5135 1.5148 1.5148 1.9885 1.9885 1.9963 1.9963 2.3826 2.3826 2.3971 2.3971 2.8501 2.8501 2.8845 2.8845 3.8942 3.8942 3.9196 3.9196 4.6912 4.6912 4.7146 4.7146 4.9265 4.9265 4.9989 4.9989 5.7979 5.7979 5.8026 5.8026 6.0313 6.0313 6.0365 6.0365 7.5827 7.5827 7.6962 7.6962 11.8477 11.8477 11.8654 11.8654 13.4765 13.4765 13.4776 13.4776 k = 0.5000-0.0000 0.1576 ( 6764 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4795 -46.4795 -46.4787 -46.4787 -42.2968 -42.2968 -42.2934 -42.2934 -41.6055 -41.6055 -41.6033 -41.6033 -8.9420 -8.9420 -8.9411 -8.9411 -8.5513 -8.5513 -8.5384 -8.5384 0.5133 0.5133 0.5409 0.5409 1.5231 1.5231 1.5254 1.5254 1.9332 1.9332 1.9469 1.9469 2.3617 2.3617 2.3761 2.3761 2.8106 2.8106 2.8405 2.8405 3.9515 3.9515 3.9721 3.9721 4.7323 4.7323 4.7497 4.7497 4.9519 4.9519 5.0262 5.0262 5.7815 5.7815 5.7903 5.7903 6.0163 6.0163 6.0176 6.0176 7.6011 7.6011 7.7095 7.7095 11.8055 11.8055 11.8220 11.8220 13.5120 13.5120 13.5135 13.5135 k = 0.5000-0.0000 0.1455 ( 6768 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4795 -46.4795 -46.4788 -46.4788 -42.2967 -42.2967 -42.2935 -42.2935 -41.6054 -41.6054 -41.6033 -41.6033 -8.9448 -8.9448 -8.9439 -8.9439 -8.5477 -8.5477 -8.5356 -8.5356 0.5417 0.5417 0.5683 0.5683 1.5301 1.5301 1.5372 1.5372 1.8790 1.8790 1.8994 1.8994 2.3405 2.3405 2.3550 2.3550 2.7713 2.7713 2.7975 2.7975 4.0089 4.0089 4.0253 4.0253 4.7712 4.7712 4.7838 4.7838 4.9774 4.9774 5.0526 5.0526 5.7633 5.7633 5.7765 5.7765 5.9987 5.9987 6.0013 6.0013 7.6203 7.6203 7.7229 7.7229 11.7659 11.7659 11.7812 11.7812 13.5434 13.5434 13.5453 13.5453 k = 0.5000-0.0000 0.1333 ( 6772 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4795 -46.4795 -46.4788 -46.4788 -42.2966 -42.2966 -42.2936 -42.2936 -41.6054 -41.6054 -41.6034 -41.6034 -8.9475 -8.9475 -8.9466 -8.9466 -8.5441 -8.5441 -8.5329 -8.5329 0.5716 0.5716 0.5971 0.5971 1.5350 1.5350 1.5482 1.5482 1.8266 1.8266 1.8550 1.8550 2.3191 2.3191 2.3337 2.3337 2.7331 2.7331 2.7561 2.7561 4.0659 4.0659 4.0784 4.0784 4.8077 4.8077 4.8167 4.8167 5.0028 5.0028 5.0779 5.0779 5.7433 5.7433 5.7610 5.7610 5.9802 5.9802 5.9866 5.9866 7.6399 7.6399 7.7363 7.7363 11.7291 11.7291 11.7433 11.7433 13.5706 13.5706 13.5728 13.5728 k = 0.5000-0.0000 0.1212 ( 6778 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4795 -46.4795 -46.4788 -46.4788 -42.2965 -42.2965 -42.2937 -42.2937 -41.6053 -41.6053 -41.6035 -41.6035 -8.9501 -8.9501 -8.9492 -8.9492 -8.5406 -8.5406 -8.5304 -8.5304 0.6030 0.6030 0.6271 0.6271 1.5362 1.5362 1.5570 1.5570 1.7778 1.7778 1.8153 1.8153 2.2976 2.2976 2.3122 2.3122 2.6968 2.6968 2.7169 2.7169 4.1216 4.1216 4.1308 4.1308 4.8417 4.8417 4.8481 4.8481 5.0279 5.0279 5.1017 5.1017 5.7217 5.7217 5.7437 5.7437 5.9625 5.9625 5.9724 5.9724 7.6597 7.6597 7.7493 7.7493 11.6953 11.6953 11.7082 11.7082 13.5936 13.5936 13.5961 13.5961 k = 0.5000-0.0000 0.1091 ( 6778 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4794 -46.4794 -46.4788 -46.4788 -42.2963 -42.2963 -42.2938 -42.2938 -41.6052 -41.6052 -41.6036 -41.6036 -8.9525 -8.9525 -8.9516 -8.9516 -8.5373 -8.5373 -8.5281 -8.5281 0.6354 0.6354 0.6582 0.6582 1.5316 1.5316 1.5607 1.5607 1.7357 1.7357 1.7827 1.7827 2.2762 2.2762 2.2906 2.2906 2.6630 2.6630 2.6805 2.6805 4.1755 4.1755 4.1816 4.1816 4.8729 4.8729 4.8778 4.8778 5.0524 5.0524 5.1240 5.1240 5.6987 5.6987 5.7248 5.7248 5.9460 5.9460 5.9588 5.9588 7.6794 7.6794 7.7618 7.7618 11.6646 11.6646 11.6763 11.6763 13.6126 13.6126 13.6153 13.6153 k = 0.5000-0.0000 0.0970 ( 6772 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4794 -46.4794 -46.4789 -46.4789 -42.2962 -42.2962 -42.2940 -42.2940 -41.6051 -41.6051 -41.6037 -41.6037 -8.9548 -8.9548 -8.9539 -8.9539 -8.5342 -8.5342 -8.5259 -8.5259 0.6687 0.6687 0.6900 0.6900 1.5193 1.5193 1.5540 1.5540 1.7056 1.7056 1.7590 1.7590 2.2549 2.2549 2.2692 2.2692 2.6321 2.6321 2.6473 2.6473 4.2267 4.2267 4.2302 4.2302 4.9012 4.9012 4.9056 4.9056 5.0762 5.0762 5.1444 5.1444 5.6749 5.6749 5.7044 5.7044 5.9311 5.9311 5.9460 5.9460 7.6988 7.6988 7.7734 7.7734 11.6370 11.6370 11.6475 11.6475 13.6279 13.6279 13.6305 13.6305 k = 0.5000-0.0000 0.0848 ( 6770 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4794 -46.4794 -46.4789 -46.4789 -42.2961 -42.2961 -42.2941 -42.2941 -41.6050 -41.6050 -41.6037 -41.6037 -8.9568 -8.9568 -8.9560 -8.9560 -8.5313 -8.5313 -8.5240 -8.5240 0.7025 0.7025 0.7221 0.7221 1.4990 1.4990 1.5331 1.5331 1.6918 1.6918 1.7449 1.7449 2.2342 2.2342 2.2482 2.2482 2.6044 2.6044 2.6175 2.6175 4.2746 4.2746 4.2759 4.2759 4.9265 4.9265 4.9309 4.9309 5.0991 5.0991 5.1629 5.1629 5.6509 5.6509 5.6826 5.6826 5.9180 5.9180 5.9341 5.9341 7.7175 7.7175 7.7838 7.7838 11.6127 11.6127 11.6219 11.6219 13.6397 13.6397 13.6423 13.6423 k = 0.5000-0.0000 0.0727 ( 6774 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4793 -46.4793 -46.4789 -46.4789 -42.2959 -42.2959 -42.2942 -42.2942 -41.6050 -41.6050 -41.6038 -41.6038 -8.9586 -8.9586 -8.9579 -8.9579 -8.5287 -8.5287 -8.5224 -8.5224 0.7362 0.7362 0.7539 0.7539 1.4722 1.4722 1.5008 1.5008 1.6916 1.6916 1.7389 1.7389 2.2145 2.2145 2.2279 2.2279 2.5803 2.5803 2.5913 2.5913 4.3180 4.3180 4.3184 4.3184 4.9487 4.9487 4.9534 4.9534 5.1209 5.1209 5.1793 5.1793 5.6274 5.6274 5.6602 5.6602 5.9069 5.9069 5.9231 5.9231 7.7351 7.7351 7.7928 7.7928 11.5917 11.5917 11.5996 11.5996 13.6485 13.6485 13.6510 13.6510 k = 0.5000-0.0000 0.0606 ( 6782 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4793 -46.4793 -46.4790 -46.4790 -42.2958 -42.2958 -42.2944 -42.2944 -41.6049 -41.6049 -41.6039 -41.6039 -8.9601 -8.9601 -8.9595 -8.9595 -8.5263 -8.5263 -8.5211 -8.5211 0.7691 0.7691 0.7846 0.7846 1.4421 1.4421 1.4639 1.4639 1.6986 1.6986 1.7383 1.7383 2.1963 2.1963 2.2087 2.2087 2.5599 2.5599 2.5690 2.5690 4.3556 4.3556 4.3572 4.3572 4.9678 4.9678 4.9728 4.9728 5.1415 5.1415 5.1935 5.1935 5.6054 5.6054 5.6376 5.6376 5.8979 5.8979 5.9132 5.9132 7.7514 7.7514 7.8000 7.8000 11.5740 11.5740 11.5806 11.5806 13.6549 13.6549 13.6571 13.6571 k = 0.5000-0.0000 0.0485 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4793 -46.4793 -46.4790 -46.4790 -42.2957 -42.2957 -42.2945 -42.2945 -41.6048 -41.6048 -41.6040 -41.6040 -8.9614 -8.9614 -8.9609 -8.9609 -8.5242 -8.5242 -8.5200 -8.5200 0.8001 0.8001 0.8132 0.8132 1.4117 1.4117 1.4274 1.4274 1.7086 1.7086 1.7403 1.7403 2.1802 2.1802 2.1912 2.1912 2.5434 2.5434 2.5505 2.5505 4.3881 4.3881 4.3904 4.3904 4.9836 4.9836 4.9887 4.9887 5.1606 5.1606 5.2050 5.2050 5.5860 5.5860 5.6158 5.6158 5.8909 5.8909 5.9044 5.9044 7.7660 7.7660 7.8053 7.8053 11.5596 11.5596 11.5649 11.5649 13.6594 13.6594 13.6612 13.6612 k = 0.5000-0.0000 0.0364 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4792 -46.4792 -46.4790 -46.4790 -42.2955 -42.2955 -42.2947 -42.2947 -41.6047 -41.6047 -41.6041 -41.6041 -8.9623 -8.9623 -8.9620 -8.9620 -8.5225 -8.5225 -8.5193 -8.5193 0.8279 0.8279 0.8383 0.8383 1.3839 1.3839 1.3945 1.3945 1.7192 1.7192 1.7431 1.7431 2.1671 2.1671 2.1761 2.1761 2.5307 2.5307 2.5360 2.5360 4.4146 4.4146 4.4170 4.4170 4.9962 4.9962 5.0009 5.0009 5.1780 5.1780 5.2133 5.2133 5.5704 5.5704 5.5957 5.5957 5.8861 5.8861 5.8970 5.8970 7.7789 7.7789 7.8086 7.8086 11.5486 11.5486 11.5526 11.5526 13.6623 13.6623 13.6638 13.6638 k = 0.5000-0.0000 0.0242 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4792 -46.4792 -46.4791 -46.4791 -42.2954 -42.2954 -42.2948 -42.2948 -41.6046 -41.6046 -41.6042 -41.6042 -8.9630 -8.9630 -8.9628 -8.9628 -8.5211 -8.5211 -8.5190 -8.5190 0.8507 0.8507 0.8579 0.8579 1.3616 1.3616 1.3680 1.3680 1.7289 1.7289 1.7450 1.7450 2.1576 2.1576 2.1640 2.1640 2.5219 2.5219 2.5254 2.5254 4.4345 4.4345 4.4364 4.4364 5.0057 5.0057 5.0093 5.0093 5.1931 5.1931 5.2178 5.2178 5.5599 5.5599 5.5785 5.5785 5.8833 5.8833 5.8909 5.8909 7.7897 7.7897 7.8096 7.8096 11.5409 11.5409 11.5436 11.5436 13.6642 13.6642 13.6652 13.6652 k = 0.5000-0.0000 0.0121 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4792 -46.4792 -46.4791 -46.4791 -42.2952 -42.2952 -42.2949 -42.2949 -41.6045 -41.6045 -41.6043 -41.6043 -8.9634 -8.9634 -8.9633 -8.9633 -8.5201 -8.5201 -8.5190 -8.5190 0.8664 0.8664 0.8701 0.8701 1.3473 1.3473 1.3503 1.3503 1.7368 1.7368 1.7449 1.7449 2.1524 2.1524 2.1557 2.1557 2.5170 2.5170 2.5188 2.5188 4.4469 4.4469 4.4480 4.4480 5.0118 5.0118 5.0138 5.0138 5.2053 5.2053 5.2180 5.2180 5.5554 5.5554 5.5653 5.5653 5.8825 5.8825 5.8864 5.8864 7.7982 7.7982 7.8082 7.8082 11.5366 11.5366 11.5379 11.5379 13.6653 13.6653 13.6658 13.6658 k = 0.5000-0.0000-0.0000 ( 6786 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4791 -46.4791 -46.4791 -46.4791 -42.2951 -42.2951 -42.2951 -42.2951 -41.6044 -41.6044 -41.6044 -41.6044 -8.9635 -8.9635 -8.9635 -8.9635 -8.5193 -8.5193 -8.5193 -8.5193 0.8732 0.8732 0.8732 0.8732 1.3432 1.3432 1.3432 1.3432 1.7422 1.7422 1.7422 1.7422 2.1518 2.1518 2.1518 2.1518 2.5159 2.5159 2.5159 2.5159 4.4515 4.4515 4.4515 4.4515 5.0146 5.0146 5.0146 5.0146 5.2138 5.2138 5.2138 5.2138 5.5573 5.5573 5.5573 5.5573 5.8835 5.8835 5.8835 5.8835 7.8044 7.8044 7.8044 7.8044 11.5356 11.5356 11.5356 11.5356 13.6658 13.6658 13.6658 13.6658 k = 0.0000 0.0000 0.3151 ( 6754 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4787 -46.4787 -42.2948 -42.2948 -42.2948 -42.2948 -41.6027 -41.6027 -41.6027 -41.6027 -9.1404 -9.1404 -9.1404 -9.1404 -8.5490 -8.5490 -8.5490 -8.5490 0.9591 0.9591 0.9591 0.9591 1.5491 1.5491 1.5491 1.5491 1.6464 1.6464 1.6464 1.6464 2.5788 2.5788 2.5788 2.5788 3.3881 3.3881 3.3881 3.3881 4.0621 4.0621 4.0621 4.0621 4.9657 4.9657 4.9657 4.9657 5.2311 5.2311 5.2311 5.2311 5.4563 5.4563 5.4563 5.4563 5.7089 5.7089 5.7089 5.7089 7.4787 7.4787 7.4787 7.4787 12.6020 12.6020 12.6020 12.6020 12.7985 12.7985 12.7985 12.7985 k = 0.0122-0.0000 0.3151 ( 6752 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2949 -42.2949 -42.2947 -42.2947 -41.6028 -41.6028 -41.6027 -41.6027 -9.1402 -9.1402 -9.1401 -9.1401 -8.5492 -8.5492 -8.5487 -8.5487 0.9548 0.9548 0.9606 0.9606 1.5453 1.5453 1.5489 1.5489 1.6446 1.6446 1.6560 1.6560 2.5780 2.5780 2.5781 2.5781 3.3878 3.3878 3.3895 3.3895 4.0577 4.0577 4.0616 4.0616 4.9660 4.9660 4.9663 4.9663 5.2195 5.2195 5.2417 5.2417 5.4397 5.4397 5.4701 5.4701 5.7031 5.7031 5.7186 5.7186 7.4758 7.4758 7.4815 7.4815 12.6022 12.6022 12.6042 12.6042 12.7988 12.7988 12.8022 12.8022 k = 0.0244-0.0000 0.3151 ( 6756 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2950 -42.2950 -42.2946 -42.2946 -41.6028 -41.6028 -41.6026 -41.6026 -9.1394 -9.1394 -9.1392 -9.1392 -8.5495 -8.5495 -8.5483 -8.5483 0.9479 0.9479 0.9592 0.9592 1.5393 1.5393 1.5446 1.5446 1.6508 1.6508 1.6716 1.6716 2.5758 2.5758 2.5760 2.5760 3.3884 3.3884 3.3918 3.3918 4.0485 4.0485 4.0561 4.0561 4.9671 4.9671 4.9678 4.9678 5.2070 5.2070 5.2512 5.2512 5.4213 5.4213 5.4801 5.4801 5.7019 5.7019 5.7313 5.7313 7.4729 7.4729 7.4843 7.4843 12.6047 12.6047 12.6086 12.6086 12.8030 12.8030 12.8097 12.8097 k = 0.0366-0.0000 0.3151 ( 6756 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4787 -46.4787 -46.4786 -46.4786 -42.2951 -42.2951 -42.2945 -42.2945 -41.6029 -41.6029 -41.6026 -41.6026 -9.1381 -9.1381 -9.1377 -9.1377 -8.5498 -8.5498 -8.5480 -8.5480 0.9384 0.9384 0.9551 0.9551 1.5326 1.5326 1.5375 1.5375 1.6635 1.6635 1.6913 1.6913 2.5722 2.5722 2.5725 2.5725 3.3899 3.3899 3.3951 3.3951 4.0348 4.0348 4.0460 4.0460 4.9686 4.9686 4.9698 4.9698 5.1938 5.1938 5.2590 5.2590 5.4030 5.4030 5.4863 5.4863 5.7057 5.7057 5.7460 5.7460 7.4699 7.4699 7.4872 7.4872 12.6096 12.6096 12.6151 12.6151 12.8111 12.8111 12.8208 12.8208 k = 0.0488-0.0000 0.3151 ( 6766 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2952 -42.2952 -42.2944 -42.2944 -41.6030 -41.6030 -41.6025 -41.6025 -9.1362 -9.1362 -9.1357 -9.1357 -8.5500 -8.5500 -8.5477 -8.5477 0.9266 0.9266 0.9482 0.9482 1.5261 1.5261 1.5296 1.5296 1.6807 1.6807 1.7140 1.7140 2.5673 2.5673 2.5676 2.5676 3.3922 3.3922 3.3992 3.3992 4.0169 4.0169 4.0316 4.0316 4.9699 4.9699 4.9719 4.9719 5.1797 5.1797 5.2635 5.2635 5.3872 5.3872 5.4894 5.4894 5.7139 5.7139 5.7619 5.7619 7.4670 7.4670 7.4899 7.4899 12.6167 12.6167 12.6236 12.6236 12.8229 12.8229 12.8353 12.8353 k = 0.0610-0.0000 0.3151 ( 6770 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2953 -42.2953 -42.2943 -42.2943 -41.6031 -41.6031 -41.6025 -41.6025 -9.1338 -9.1338 -9.1332 -9.1332 -8.5503 -8.5503 -8.5473 -8.5473 0.9128 0.9128 0.9388 0.9388 1.5203 1.5203 1.5219 1.5219 1.7011 1.7011 1.7389 1.7389 2.5614 2.5614 2.5616 2.5616 3.3950 3.3950 3.4039 3.4039 3.9954 3.9954 4.0133 4.0133 4.9705 4.9705 4.9732 4.9732 5.1650 5.1650 5.2624 5.2624 5.3771 5.3771 5.4907 5.4907 5.7258 5.7258 5.7786 5.7786 7.4641 7.4641 7.4927 7.4927 12.6259 12.6259 12.6339 12.6339 12.8381 12.8381 12.8529 12.8529 k = 0.0732-0.0000 0.3151 ( 6770 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2954 -42.2954 -42.2943 -42.2943 -41.6032 -41.6032 -41.6024 -41.6024 -9.1308 -9.1308 -9.1301 -9.1301 -8.5505 -8.5505 -8.5470 -8.5470 0.8971 0.8971 0.9271 0.9271 1.5150 1.5150 1.5154 1.5154 1.7241 1.7241 1.7657 1.7657 2.5544 2.5544 2.5546 2.5546 3.3982 3.3982 3.4091 3.4091 3.9708 3.9708 3.9918 3.9918 4.9696 4.9696 4.9730 4.9730 5.1498 5.1498 5.2538 5.2538 5.3755 5.3755 5.4916 5.4916 5.7402 5.7402 5.7955 5.7955 7.4612 7.4612 7.4955 7.4955 12.6369 12.6369 12.6456 12.6456 12.8565 12.8565 12.8733 12.8733 k = 0.0854-0.0000 0.3151 ( 6774 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4788 -46.4788 -46.4786 -46.4786 -42.2954 -42.2954 -42.2942 -42.2942 -41.6033 -41.6033 -41.6024 -41.6024 -9.1273 -9.1273 -9.1265 -9.1265 -8.5508 -8.5508 -8.5467 -8.5467 0.8799 0.8799 0.9132 0.9132 1.5089 1.5089 1.5114 1.5114 1.7490 1.7490 1.7940 1.7940 2.5468 2.5468 2.5468 2.5468 3.4016 3.4016 3.4146 3.4146 3.9436 3.9436 3.9675 3.9675 4.9667 4.9667 4.9704 4.9704 5.1343 5.1343 5.2382 5.2382 5.3822 5.3822 5.4933 5.4933 5.7561 5.7561 5.8124 5.8124 7.4584 7.4584 7.4983 7.4983 12.6495 12.6495 12.6586 12.6586 12.8774 12.8774 12.8959 12.8959 k = 0.0976-0.0000 0.3151 ( 6768 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2955 -42.2955 -42.2941 -42.2941 -41.6033 -41.6033 -41.6024 -41.6024 -9.1234 -9.1234 -9.1224 -9.1224 -8.5510 -8.5510 -8.5464 -8.5464 0.8613 0.8613 0.8974 0.8974 1.5039 1.5039 1.5082 1.5082 1.7755 1.7755 1.8234 1.8234 2.5383 2.5383 2.5385 2.5385 3.4048 3.4048 3.4201 3.4201 3.9146 3.9146 3.9411 3.9411 4.9614 4.9614 4.9647 4.9647 5.1188 5.1188 5.2184 5.2184 5.3952 5.3952 5.4967 5.4967 5.7730 5.7730 5.8290 5.8290 7.4557 7.4557 7.5011 7.5011 12.6632 12.6632 12.6724 12.6724 12.9006 12.9006 12.9204 12.9204 k = 0.1098-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2956 -42.2956 -42.2940 -42.2940 -41.6034 -41.6034 -41.6024 -41.6024 -9.1189 -9.1189 -9.1179 -9.1179 -8.5513 -8.5513 -8.5460 -8.5460 0.8416 0.8416 0.8800 0.8800 1.4998 1.4998 1.5057 1.5057 1.8033 1.8033 1.8539 1.8539 2.5295 2.5295 2.5299 2.5299 3.4076 3.4076 3.4252 3.4252 3.8841 3.8841 3.9132 3.9132 4.9535 4.9535 4.9557 4.9557 5.1033 5.1033 5.1966 5.1966 5.4123 5.4123 5.5024 5.5024 5.7901 5.7901 5.8450 5.8450 7.4531 7.4531 7.5040 7.5040 12.6778 12.6778 12.6867 12.6867 12.9254 12.9254 12.9461 12.9461 k = 0.1220-0.0000 0.3151 ( 6774 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4789 -46.4789 -46.4785 -46.4785 -42.2957 -42.2957 -42.2939 -42.2939 -41.6035 -41.6035 -41.6024 -41.6024 -9.1139 -9.1139 -9.1128 -9.1128 -8.5516 -8.5516 -8.5458 -8.5458 0.8210 0.8210 0.8613 0.8613 1.4964 1.4964 1.5038 1.5038 1.8322 1.8322 1.8852 1.8852 2.5204 2.5204 2.5212 2.5212 3.4096 3.4096 3.4297 3.4297 3.8529 3.8529 3.8844 3.8844 4.9427 4.9427 4.9431 4.9431 5.0878 5.0878 5.1740 5.1740 5.4323 5.4323 5.5108 5.5108 5.8073 5.8073 5.8604 5.8604 7.4506 7.4506 7.5068 7.5068 12.6927 12.6927 12.7010 12.7010 12.9513 12.9513 12.9726 12.9726 k = 0.1341-0.0000 0.3151 ( 6778 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4785 -46.4785 -42.2958 -42.2958 -42.2939 -42.2939 -41.6036 -41.6036 -41.6024 -41.6024 -9.1085 -9.1085 -9.1073 -9.1073 -8.5519 -8.5519 -8.5455 -8.5455 0.7997 0.7997 0.8414 0.8414 1.4937 1.4937 1.5024 1.5024 1.8620 1.8620 1.9170 1.9170 2.5114 2.5114 2.5126 2.5126 3.4105 3.4105 3.4331 3.4331 3.8215 3.8215 3.8552 3.8552 4.9274 4.9274 4.9293 4.9293 5.0721 5.0721 5.1515 5.1515 5.4544 5.4544 5.5216 5.5216 5.8243 5.8243 5.8751 5.8751 7.4482 7.4482 7.5098 7.5098 12.7074 12.7074 12.7149 12.7149 12.9776 12.9776 12.9993 12.9993 k = 0.1463-0.0000 0.3151 ( 6774 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4785 -46.4785 -42.2959 -42.2959 -42.2938 -42.2938 -41.6037 -41.6037 -41.6023 -41.6023 -9.1027 -9.1027 -9.1014 -9.1014 -8.5523 -8.5523 -8.5453 -8.5453 0.7778 0.7778 0.8205 0.8205 1.4916 1.4916 1.5014 1.5014 1.8926 1.8926 1.9494 1.9494 2.5026 2.5026 2.5043 2.5043 3.4099 3.4099 3.4351 3.4351 3.7906 3.7906 3.8263 3.8263 4.9092 4.9092 4.9135 4.9135 5.0560 5.0560 5.1293 5.1293 5.4780 5.4780 5.5349 5.5349 5.8410 5.8410 5.8891 5.8891 7.4461 7.4461 7.5128 7.5128 12.7215 12.7215 12.7279 12.7279 13.0037 13.0037 13.0255 13.0255 k = 0.1585-0.0000 0.3151 ( 6776 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4790 -46.4790 -46.4785 -46.4785 -42.2960 -42.2960 -42.2937 -42.2937 -41.6039 -41.6039 -41.6023 -41.6023 -9.0964 -9.0964 -9.0951 -9.0951 -8.5527 -8.5527 -8.5451 -8.5451 0.7555 0.7555 0.7990 0.7990 1.4898 1.4898 1.5006 1.5006 1.9236 1.9236 1.9820 1.9820 2.4943 2.4943 2.4965 2.4965 3.4075 3.4075 3.4351 3.4351 3.7607 3.7607 3.7981 3.7981 4.8890 4.8890 4.8955 4.8955 5.0391 5.0391 5.1077 5.1077 5.5027 5.5027 5.5502 5.5502 5.8573 5.8573 5.9023 5.9023 7.4442 7.4442 7.5160 7.5160 12.7345 12.7345 12.7395 12.7395 13.0290 13.0290 13.0508 13.0508 k = 0.1707-0.0000 0.3151 ( 6774 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4785 -46.4785 -42.2961 -42.2961 -42.2936 -42.2936 -41.6040 -41.6040 -41.6024 -41.6024 -9.0898 -9.0898 -9.0884 -9.0884 -8.5532 -8.5532 -8.5450 -8.5450 0.7328 0.7328 0.7768 0.7768 1.4882 1.4882 1.5000 1.5000 1.9551 1.9551 2.0147 2.0147 2.4866 2.4866 2.4893 2.4893 3.4029 3.4029 3.4326 3.4326 3.7326 3.7326 3.7712 3.7712 4.8674 4.8674 4.8760 4.8760 5.0215 5.0215 5.0865 5.0865 5.5281 5.5281 5.5673 5.5673 5.8731 5.8731 5.9147 5.9147 7.4425 7.4425 7.5191 7.5191 12.7458 12.7458 12.7494 12.7494 13.0529 13.0529 13.0744 13.0744 k = 0.1829-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4785 -46.4785 -42.2962 -42.2962 -42.2936 -42.2936 -41.6041 -41.6041 -41.6024 -41.6024 -9.0828 -9.0828 -9.0813 -9.0813 -8.5537 -8.5537 -8.5450 -8.5450 0.7101 0.7101 0.7543 0.7543 1.4869 1.4869 1.4993 1.4993 1.9867 1.9867 2.0474 2.0474 2.4796 2.4796 2.4830 2.4830 3.3957 3.3957 3.4272 3.4272 3.7069 3.7069 3.7461 3.7461 4.8449 4.8449 4.8552 4.8552 5.0029 5.0029 5.0658 5.0658 5.5538 5.5538 5.5855 5.5855 5.8884 5.8884 5.9264 5.9264 7.4410 7.4410 7.5225 7.5225 12.7551 12.7551 12.7569 12.7569 13.0749 13.0749 13.0959 13.0959 k = 0.1951-0.0000 0.3151 ( 6780 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4791 -46.4791 -46.4785 -46.4785 -42.2963 -42.2963 -42.2935 -42.2935 -41.6042 -41.6042 -41.6024 -41.6024 -9.0755 -9.0755 -9.0740 -9.0740 -8.5543 -8.5543 -8.5450 -8.5450 0.6872 0.6872 0.7316 0.7316 1.4855 1.4855 1.4986 1.4986 2.0184 2.0184 2.0799 2.0799 2.4736 2.4736 2.4776 2.4776 3.3859 3.3859 3.4184 3.4184 3.6842 3.6842 3.7231 3.7231 4.8219 4.8219 4.8337 4.8337 4.9836 4.9836 5.0453 5.0453 5.5796 5.5796 5.6047 5.6047 5.9033 5.9033 5.9373 5.9373 7.4399 7.4399 7.5259 7.5259 12.7618 12.7618 12.7618 12.7618 13.0943 13.0943 13.1148 13.1148 k = 0.2073-0.0000 0.3151 ( 6776 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4785 -46.4785 -42.2964 -42.2964 -42.2934 -42.2934 -41.6043 -41.6043 -41.6024 -41.6024 -9.0679 -9.0679 -9.0663 -9.0663 -8.5549 -8.5549 -8.5451 -8.5451 0.6645 0.6645 0.7087 0.7087 1.4841 1.4841 1.4978 1.4978 2.0499 2.0499 2.1121 2.1121 2.4687 2.4687 2.4733 2.4733 3.3733 3.3733 3.4061 3.4061 3.6648 3.6648 3.7025 3.7025 4.7987 4.7987 4.8118 4.8118 4.9637 4.9637 5.0250 5.0250 5.6053 5.6053 5.6243 5.6243 5.9179 5.9179 5.9477 5.9477 7.4390 7.4390 7.5294 7.5294 12.7637 12.7637 12.7658 12.7658 13.1109 13.1109 13.1308 13.1308 k = 0.2195-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4785 -46.4785 -42.2964 -42.2964 -42.2934 -42.2934 -41.6044 -41.6044 -41.6024 -41.6024 -9.0600 -9.0600 -9.0585 -9.0585 -8.5557 -8.5557 -8.5453 -8.5453 0.6418 0.6418 0.6858 0.6858 1.4825 1.4825 1.4968 1.4968 2.0812 2.0812 2.1437 2.1437 2.4650 2.4650 2.4702 2.4702 3.3580 3.3580 3.3903 3.3903 3.6487 3.6487 3.6844 3.6844 4.7753 4.7753 4.7898 4.7898 4.9434 4.9434 5.0049 5.0049 5.6306 5.6306 5.6442 5.6442 5.9321 5.9321 5.9575 5.9575 7.4384 7.4384 7.5331 7.5331 12.7625 12.7625 12.7666 12.7666 13.1243 13.1243 13.1434 13.1434 k = 0.2317-0.0000 0.3151 ( 6776 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4792 -46.4792 -46.4785 -46.4785 -42.2965 -42.2965 -42.2933 -42.2933 -41.6045 -41.6045 -41.6024 -41.6024 -9.0520 -9.0520 -9.0504 -9.0504 -8.5565 -8.5565 -8.5456 -8.5456 0.6194 0.6194 0.6630 0.6630 1.4809 1.4809 1.4955 1.4955 2.1119 2.1119 2.1745 2.1745 2.4625 2.4625 2.4683 2.4683 3.3403 3.3403 3.3716 3.3716 3.6356 3.6356 3.6687 3.6687 4.7519 4.7519 4.7679 4.7679 4.9230 4.9230 4.9850 4.9850 5.6553 5.6553 5.6639 5.6639 5.9460 5.9460 5.9668 5.9668 7.4382 7.4382 7.5368 7.5368 12.7578 12.7578 12.7641 12.7641 13.1344 13.1344 13.1526 13.1526 k = 0.2439-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4785 -46.4785 -42.2966 -42.2966 -42.2933 -42.2933 -41.6046 -41.6046 -41.6024 -41.6024 -9.0437 -9.0437 -9.0421 -9.0421 -8.5574 -8.5574 -8.5460 -8.5460 0.5973 0.5973 0.6405 0.6405 1.4790 1.4790 1.4940 1.4940 2.1421 2.1421 2.2044 2.2044 2.4615 2.4615 2.4678 2.4678 3.3206 3.3206 3.3506 3.3506 3.6252 3.6252 3.6552 3.6552 4.7284 4.7284 4.7462 4.7462 4.9027 4.9027 4.9653 4.9653 5.6793 5.6793 5.6833 5.6833 5.9598 5.9598 5.9758 5.9758 7.4382 7.4382 7.5407 7.5407 12.7497 12.7497 12.7583 12.7583 13.1410 13.1410 13.1582 13.1582 k = 0.2561-0.0000 0.3151 ( 6780 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4785 -46.4785 -42.2967 -42.2967 -42.2932 -42.2932 -41.6047 -41.6047 -41.6025 -41.6025 -9.0353 -9.0353 -9.0337 -9.0337 -8.5584 -8.5584 -8.5464 -8.5464 0.5756 0.5756 0.6183 0.6183 1.4769 1.4769 1.4922 1.4922 2.1713 2.1713 2.2331 2.2331 2.4619 2.4619 2.4685 2.4685 3.2994 3.2994 3.3282 3.3282 3.6167 3.6167 3.6437 3.6437 4.7046 4.7046 4.7248 4.7248 4.8830 4.8830 4.9459 4.9459 5.7020 5.7020 5.7022 5.7022 5.9733 5.9733 5.9846 5.9846 7.4386 7.4386 7.5447 7.5447 12.7381 12.7381 12.7490 12.7490 13.1443 13.1443 13.1605 13.1605 k = 0.2683-0.0000 0.3151 ( 6780 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4793 -46.4793 -46.4785 -46.4785 -42.2968 -42.2968 -42.2932 -42.2932 -41.6048 -41.6048 -41.6025 -41.6025 -9.0269 -9.0269 -9.0253 -9.0253 -8.5596 -8.5596 -8.5470 -8.5470 0.5544 0.5544 0.5964 0.5964 1.4746 1.4746 1.4901 1.4901 2.1995 2.1995 2.2603 2.2603 2.4638 2.4638 2.4706 2.4706 3.2773 3.2773 3.3050 3.3050 3.6098 3.6098 3.6339 3.6339 4.6804 4.6804 4.7036 4.7036 4.8641 4.8641 4.9271 4.9271 5.7199 5.7199 5.7240 5.7240 5.9868 5.9868 5.9933 5.9933 7.4393 7.4393 7.5487 7.5487 12.7232 12.7232 12.7364 12.7364 13.1445 13.1445 13.1596 13.1596 k = 0.2805-0.0000 0.3151 ( 6768 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2968 -42.2968 -42.2931 -42.2931 -41.6049 -41.6049 -41.6025 -41.6025 -9.0183 -9.0183 -9.0168 -9.0168 -8.5608 -8.5608 -8.5477 -8.5477 0.5337 0.5337 0.5751 0.5751 1.4721 1.4721 1.4878 1.4878 2.2265 2.2265 2.2858 2.2858 2.4673 2.4673 2.4741 2.4741 3.2546 3.2546 3.2817 3.2817 3.6042 3.6042 3.6257 3.6257 4.6556 4.6556 4.6826 4.6826 4.8465 4.8465 4.9090 4.9090 5.7370 5.7370 5.7445 5.7445 6.0002 6.0002 6.0020 6.0020 7.4402 7.4402 7.5529 7.5529 12.7051 12.7051 12.7205 12.7205 13.1418 13.1418 13.1558 13.1558 k = 0.2927-0.0000 0.3151 ( 6760 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2969 -42.2969 -42.2931 -42.2931 -41.6050 -41.6050 -41.6025 -41.6025 -9.0098 -9.0098 -9.0083 -9.0083 -8.5621 -8.5621 -8.5485 -8.5485 0.5136 0.5136 0.5544 0.5544 1.4695 1.4695 1.4852 1.4852 2.2519 2.2519 2.3093 2.3093 2.4723 2.4723 2.4789 2.4789 3.2318 3.2318 3.2587 3.2587 3.5994 3.5994 3.6188 3.6188 4.6301 4.6301 4.6616 4.6616 4.8303 4.8303 4.8918 4.8918 5.7529 5.7529 5.7635 5.7635 6.0109 6.0109 6.0136 6.0136 7.4414 7.4414 7.5571 7.5571 12.6841 12.6841 12.7017 12.7017 13.1367 13.1367 13.1495 13.1495 k = 0.3049-0.0000 0.3151 ( 6764 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4794 -46.4794 -46.4785 -46.4785 -42.2970 -42.2970 -42.2930 -42.2930 -41.6051 -41.6051 -41.6025 -41.6025 -9.0013 -9.0013 -8.9999 -8.9999 -8.5635 -8.5635 -8.5494 -8.5494 0.4942 0.4942 0.5343 0.5343 1.4667 1.4667 1.4825 1.4825 2.2755 2.2755 2.3306 2.3306 2.4789 2.4789 2.4851 2.4851 3.2093 3.2093 3.2365 3.2365 3.5956 3.5956 3.6133 3.6133 4.6037 4.6037 4.6405 4.6405 4.8157 4.8157 4.8757 4.8757 5.7677 5.7677 5.7809 5.7809 6.0200 6.0200 6.0269 6.0269 7.4429 7.4429 7.5613 7.5613 12.6605 12.6605 12.6802 12.6802 13.1296 13.1296 13.1413 13.1413 k = 0.3171-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4785 -46.4785 -42.2970 -42.2970 -42.2930 -42.2930 -41.6052 -41.6052 -41.6026 -41.6026 -8.9929 -8.9929 -8.9915 -8.9915 -8.5649 -8.5649 -8.5503 -8.5503 0.4755 0.4755 0.5149 0.5149 1.4638 1.4638 1.4796 1.4796 2.2972 2.2972 2.3494 2.3494 2.4872 2.4872 2.4927 2.4927 3.1872 3.1872 3.2153 3.2153 3.5926 3.5926 3.6092 3.6092 4.5765 4.5765 4.6193 4.6193 4.8029 4.8029 4.8607 4.8607 5.7813 5.7813 5.7965 5.7965 6.0294 6.0294 6.0401 6.0401 7.4445 7.4445 7.5655 7.5655 12.6348 12.6348 12.6564 12.6564 13.1208 13.1208 13.1314 13.1314 k = 0.3293-0.0000 0.3151 ( 6768 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4785 -46.4785 -42.2971 -42.2971 -42.2929 -42.2929 -41.6053 -41.6053 -41.6026 -41.6026 -8.9846 -8.9846 -8.9834 -8.9834 -8.5665 -8.5665 -8.5514 -8.5514 0.4576 0.4576 0.4964 0.4964 1.4609 1.4609 1.4766 1.4766 2.3166 2.3166 2.3656 2.3656 2.4969 2.4969 2.5016 2.5016 3.1659 3.1659 3.1953 3.1953 3.5904 3.5904 3.6064 3.6064 4.5485 4.5485 4.5978 4.5978 4.7917 4.7917 4.8472 4.8472 5.7937 5.7937 5.8105 5.8105 6.0392 6.0392 6.0532 6.0532 7.4463 7.4463 7.5697 7.5697 12.6075 12.6075 12.6308 12.6308 13.1109 13.1109 13.1205 13.1205 k = 0.3415-0.0000 0.3151 ( 6778 PWs) bands (ev): -77.6131 -77.6131 -77.6131 -77.6131 -46.4795 -46.4795 -46.4785 -46.4785 -42.2971 -42.2971 -42.2929 -42.2929 -41.6054 -41.6054 -41.6026 -41.6026 -8.9766 -8.9766 -8.9754 -8.9754 -8.5681 -8.5681 -8.5525 -8.5525 0.4407 0.4407 0.4788 0.4788 1.4579 1.4579 1.4736 1.4736 2.3337 2.3337 2.3792 2.3792 2.5079 2.5079 2.5119 2.5119 3.1454 3.1454 3.1766 3.1766 3.5892 3.5892 3.6050 3.6050 4.5199 4.5199 4.5760 4.5760 4.7822 4.7822 4.8351 4.8351 5.8049 5.8049 5.8228 5.8228 6.0492 6.0492 6.0660 6.0660 7.4483 7.4483 7.5739 7.5739 12.5790 12.5790 12.6039 12.6039 13.1001 13.1001 13.1088 13.1088 k = 0.3537-0.0000 0.3151 ( 6770 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4795 -46.4795 -46.4785 -46.4785 -42.2972 -42.2972 -42.2929 -42.2929 -41.6055 -41.6055 -41.6026 -41.6026 -8.9688 -8.9688 -8.9678 -8.9678 -8.5697 -8.5697 -8.5536 -8.5536 0.4247 0.4247 0.4622 0.4622 1.4551 1.4551 1.4706 1.4706 2.3483 2.3483 2.3903 2.3903 2.5199 2.5199 2.5235 2.5235 3.1258 3.1258 3.1593 3.1593 3.5890 3.5890 3.6051 3.6051 4.4909 4.4909 4.5540 4.5540 4.7743 4.7743 4.8245 4.8245 5.8149 5.8149 5.8334 5.8334 6.0594 6.0594 6.0786 6.0786 7.4504 7.4504 7.5780 7.5780 12.5498 12.5498 12.5762 12.5762 13.0890 13.0890 13.0968 13.0968 k = 0.3659-0.0000 0.3151 ( 6774 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2972 -42.2972 -42.2928 -42.2928 -41.6056 -41.6056 -41.6027 -41.6027 -8.9613 -8.9613 -8.9604 -8.9604 -8.5714 -8.5714 -8.5549 -8.5549 0.4097 0.4097 0.4466 0.4466 1.4523 1.4523 1.4676 1.4676 2.3605 2.3605 2.3993 2.3993 2.5325 2.5325 2.5360 2.5360 3.1072 3.1072 3.1434 3.1434 3.5898 3.5898 3.6067 3.6067 4.4617 4.4617 4.5319 4.5319 4.7676 4.7676 4.8153 4.8153 5.8238 5.8238 5.8424 5.8424 6.0697 6.0697 6.0908 6.0908 7.4525 7.4525 7.5820 7.5820 12.5206 12.5206 12.5482 12.5482 13.0777 13.0777 13.0849 13.0849 k = 0.3780-0.0000 0.3151 ( 6770 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2973 -42.2973 -42.2928 -42.2928 -41.6056 -41.6056 -41.6027 -41.6027 -8.9543 -8.9543 -8.9535 -8.9535 -8.5730 -8.5730 -8.5561 -8.5561 0.3958 0.3958 0.4321 0.4321 1.4496 1.4496 1.4648 1.4648 2.3704 2.3704 2.4063 2.4063 2.5454 2.5454 2.5495 2.5495 3.0896 3.0896 3.1288 3.1288 3.5916 3.5916 3.6097 3.6097 4.4328 4.4328 4.5100 4.5100 4.7622 4.7622 4.8075 4.8075 5.8317 5.8317 5.8500 5.8500 6.0798 6.0798 6.1024 6.1024 7.4547 7.4547 7.5858 7.5858 12.4919 12.4919 12.5205 12.5205 13.0666 13.0666 13.0732 13.0732 k = 0.3902-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2973 -42.2973 -42.2928 -42.2928 -41.6057 -41.6057 -41.6027 -41.6027 -8.9476 -8.9476 -8.9469 -8.9469 -8.5746 -8.5746 -8.5573 -8.5573 0.3830 0.3830 0.4188 0.4188 1.4471 1.4471 1.4621 1.4621 2.3781 2.3781 2.4116 2.4116 2.5581 2.5581 2.5634 2.5634 3.0731 3.0731 3.1155 3.1155 3.5944 3.5944 3.6142 3.6142 4.4044 4.4044 4.4884 4.4884 4.7578 4.7578 4.8009 4.8009 5.8385 5.8385 5.8564 5.8564 6.0897 6.0897 6.1134 6.1134 7.4568 7.4568 7.5894 7.5894 12.4641 12.4641 12.4936 12.4936 13.0560 13.0560 13.0621 13.0621 k = 0.4024-0.0000 0.3151 ( 6772 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2974 -42.2974 -42.2928 -42.2928 -41.6057 -41.6057 -41.6027 -41.6027 -8.9414 -8.9414 -8.9409 -8.9409 -8.5762 -8.5762 -8.5585 -8.5585 0.3714 0.3714 0.4067 0.4067 1.4448 1.4448 1.4596 1.4596 2.3841 2.3841 2.4156 2.4156 2.5703 2.5703 2.5774 2.5774 3.0576 3.0576 3.1035 3.1035 3.5981 3.5981 3.6199 3.6199 4.3769 4.3769 4.4676 4.4676 4.7543 4.7543 4.7954 4.7954 5.8445 5.8445 5.8616 5.8616 6.0991 6.0991 6.1236 6.1236 7.4588 7.4588 7.5927 7.5927 12.4378 12.4378 12.4681 12.4681 13.0460 13.0460 13.0516 13.0516 k = 0.4146-0.0000 0.3151 ( 6774 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4796 -46.4796 -46.4786 -46.4786 -42.2974 -42.2974 -42.2927 -42.2927 -41.6058 -41.6058 -41.6028 -41.6028 -8.9359 -8.9359 -8.9355 -8.9355 -8.5777 -8.5777 -8.5596 -8.5596 0.3611 0.3611 0.3959 0.3959 1.4427 1.4427 1.4574 1.4574 2.3886 2.3886 2.4184 2.4184 2.5820 2.5820 2.5912 2.5912 3.0432 3.0432 3.0926 3.0926 3.6024 3.6024 3.6265 3.6265 4.3508 4.3508 4.4479 4.4479 4.7515 4.7515 4.7909 4.7909 5.8496 5.8496 5.8659 5.8659 6.1079 6.1079 6.1328 6.1328 7.4607 7.4607 7.5958 7.5958 12.4135 12.4135 12.4444 12.4444 13.0368 13.0368 13.0421 13.0421 k = 0.4268-0.0000 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2974 -42.2974 -42.2927 -42.2927 -41.6058 -41.6058 -41.6028 -41.6028 -8.9309 -8.9309 -8.9306 -8.9306 -8.5790 -8.5790 -8.5606 -8.5606 0.3520 0.3520 0.3865 0.3865 1.4408 1.4408 1.4554 1.4554 2.3918 2.3918 2.4204 2.4204 2.5926 2.5926 2.6043 2.6043 3.0301 3.0301 3.0830 3.0830 3.6072 3.6072 3.6337 3.6337 4.3265 4.3265 4.4296 4.4296 4.7494 4.7494 4.7873 4.7873 5.8538 5.8538 5.8693 5.8693 6.1157 6.1157 6.1411 6.1411 7.4625 7.4625 7.5985 7.5985 12.3915 12.3915 12.4229 12.4229 13.0286 13.0286 13.0336 13.0336 k = 0.4390-0.0000 0.3151 ( 6792 PWs) bands (ev): -77.6131 -77.6131 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9265 -8.9265 -8.9264 -8.9264 -8.5803 -8.5803 -8.5616 -8.5616 0.3443 0.3443 0.3784 0.3784 1.4392 1.4392 1.4536 1.4536 2.3940 2.3940 2.4216 2.4216 2.6022 2.6022 2.6165 2.6165 3.0183 3.0183 3.0747 3.0747 3.6121 3.6121 3.6412 3.6412 4.3045 4.3045 4.4132 4.4132 4.7477 4.7477 4.7845 4.7845 5.8573 5.8573 5.8720 5.8720 6.1227 6.1227 6.1482 6.1482 7.4640 7.4640 7.6009 7.6009 12.3723 12.3723 12.4041 12.4041 13.0214 13.0214 13.0262 13.0262 k = 0.4512-0.0000 0.3151 ( 6790 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9229 -8.9229 -8.9229 -8.9229 -8.5813 -8.5813 -8.5624 -8.5624 0.3379 0.3379 0.3717 0.3717 1.4379 1.4379 1.4522 1.4522 2.3955 2.3955 2.4224 2.4224 2.6104 2.6104 2.6272 2.6272 3.0081 3.0081 3.0676 3.0676 3.6168 3.6168 3.6483 3.6483 4.2855 4.2855 4.3991 4.3991 4.7464 4.7464 4.7822 4.7822 5.8601 5.8601 5.8741 5.8741 6.1285 6.1285 6.1542 6.1542 7.4654 7.4654 7.6029 7.6029 12.3561 12.3561 12.3882 12.3882 13.0154 13.0154 13.0201 13.0201 k = 0.4634-0.0000 0.3151 ( 6788 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6059 -41.6059 -41.6028 -41.6028 -8.9201 -8.9201 -8.9201 -8.9201 -8.5821 -8.5821 -8.5630 -8.5630 0.3329 0.3329 0.3665 0.3665 1.4369 1.4369 1.4510 1.4510 2.3964 2.3964 2.4228 2.4228 2.6170 2.6170 2.6361 2.6361 2.9998 2.9998 3.0620 3.0620 3.6209 3.6209 3.6546 3.6546 4.2699 4.2699 4.3876 4.3876 4.7456 4.7456 4.7806 4.7806 5.8623 5.8623 5.8757 5.8757 6.1332 6.1332 6.1589 6.1589 7.4665 7.4665 7.6045 7.6045 12.3432 12.3432 12.3756 12.3756 13.0107 13.0107 13.0152 13.0152 k = 0.4756-0.0000 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9181 -8.9181 -8.9180 -8.9180 -8.5828 -8.5828 -8.5635 -8.5635 0.3294 0.3294 0.3628 0.3628 1.4361 1.4361 1.4502 1.4502 2.3970 2.3970 2.4229 2.4229 2.6219 2.6219 2.6427 2.6427 2.9936 2.9936 3.0579 3.0579 3.6241 3.6241 3.6596 3.6596 4.2583 4.2583 4.3791 4.3791 4.7450 4.7450 4.7795 4.7795 5.8639 5.8639 5.8768 5.8768 6.1366 6.1366 6.1624 6.1624 7.4673 7.4673 7.6057 7.6057 12.3339 12.3339 12.3664 12.3664 13.0073 13.0073 13.0117 13.0117 k = 0.4878-0.0000 0.3151 ( 6786 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9169 -8.9169 -8.9168 -8.9168 -8.5831 -8.5831 -8.5638 -8.5638 0.3272 0.3272 0.3606 0.3606 1.4357 1.4357 1.4497 1.4497 2.3973 2.3973 2.4230 2.4230 2.6249 2.6249 2.6469 2.6469 2.9898 2.9898 3.0554 3.0554 3.6261 3.6261 3.6628 3.6628 4.2512 4.2512 4.3739 4.3739 4.7446 4.7446 4.7789 4.7789 5.8648 5.8648 5.8774 5.8774 6.1386 6.1386 6.1644 6.1644 7.4677 7.4677 7.6064 7.6064 12.3282 12.3282 12.3609 12.3609 13.0052 13.0052 13.0096 13.0096 k = 0.5000-0.0000 0.3151 ( 6784 PWs) bands (ev): -77.6130 -77.6130 -77.6130 -77.6130 -46.4797 -46.4797 -46.4786 -46.4786 -42.2975 -42.2975 -42.2927 -42.2927 -41.6060 -41.6060 -41.6028 -41.6028 -8.9165 -8.9165 -8.9163 -8.9163 -8.5833 -8.5833 -8.5639 -8.5639 0.3265 0.3265 0.3598 0.3598 1.4355 1.4355 1.4496 1.4496 2.3973 2.3973 2.4230 2.4230 2.6259 2.6259 2.6483 2.6483 2.9885 2.9885 3.0545 3.0545 3.6268 3.6268 3.6639 3.6639 4.2487 4.2487 4.3722 4.3722 4.7445 4.7445 4.7787 4.7787 5.8651 5.8651 5.8776 5.8776 6.1393 6.1393 6.1651 6.1651 7.4679 7.4679 7.6066 7.6066 12.3263 12.3263 12.3590 12.3590 13.0045 13.0045 13.0089 13.0089 Writing output data file PdCl2.save init_run : 0.69s CPU 0.98s WALL ( 1 calls) electrons : 207.54s CPU 211.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 207.53s CPU 211.14s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.17s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.13s WALL ( 292 calls) cegterg : 189.12s CPU 191.26s WALL ( 295 calls) Called by sum_band: Called by *egterg: h_psi : 109.61s CPU 111.43s WALL ( 5067 calls) s_psi : 9.52s CPU 9.60s WALL ( 5067 calls) g_psi : 0.36s CPU 0.37s WALL ( 4480 calls) cdiaghg : 54.10s CPU 54.79s WALL ( 4772 calls) cegterg:over : 11.12s CPU 11.29s WALL ( 4480 calls) cegterg:upda : 9.07s CPU 9.08s WALL ( 4480 calls) cegterg:last : 5.96s CPU 5.87s WALL ( 879 calls) cdiaghg:chol : 3.19s CPU 3.21s WALL ( 4772 calls) cdiaghg:inve : 2.30s CPU 2.24s WALL ( 4772 calls) cdiaghg:para : 3.67s CPU 3.87s WALL ( 9544 calls) Called by h_psi: h_psi:vloc : 89.28s CPU 90.81s WALL ( 5067 calls) h_psi:vnl : 19.93s CPU 20.21s WALL ( 5067 calls) add_vuspsi : 10.85s CPU 10.97s WALL ( 5067 calls) General routines calbec : 9.07s CPU 9.22s WALL ( 5067 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 80.38s CPU 82.01s WALL ( 808776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.38s WALL ( 584 calls) Parallel routines fft_scatter : 29.59s CPU 30.20s WALL ( 808799 calls) PWSCF : 3m54.83s CPU 4m24.72s WALL This run was terminated on: 17: 4:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=