Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:36: 3 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: ./CaClF.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 37 24 7 1841 920 145 Max 38 25 8 1850 936 153 Sum 1361 869 253 66489 33357 5411 bravais-lattice index = 14 lattice parameter (alat) = 7.3586 a.u. unit-cell volume = 697.6625 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.358593 celldm(2)= 1.000000 celldm(3)= 1.750899 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.750899 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.571135 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ca 10.00 40.07800 Ca( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0027701 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0027701 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0027701 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0027701 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0027701 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027701 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0027701 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0027701 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0027701 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0027701 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0027701 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0027701 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0027701 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0027701 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027701 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0027701 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0027701 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0027701 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0027701 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0027701 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027701 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027701 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0027701 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0027701 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0027701 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0027701 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0027701 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0027701 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0027701 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0027701 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0027701 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0027701 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0027701 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0027701 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0027701 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0027701 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0027701 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0027701 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0027701 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0027701 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0027701 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0027701 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0027701 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027701 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0027701 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027701 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0027701 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0027701 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0027701 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0027701 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0027701 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0027701 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027701 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027701 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0027701 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0027701 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0027701 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0027701 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0027701 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027701 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0027701 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027701 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0027701 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0027701 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0027701 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0027701 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0027701 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027701 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0027701 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0027701 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0027701 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027701 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0027701 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0027701 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0027701 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0027701 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0027701 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.0118986), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.0237973), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.0356960), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.0475946), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.0594933), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.0713919), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.0832906), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.0951892), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.1070879), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.1189865), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.1308852), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.1427838), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.1546825), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.1665811), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.1784798), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.1903784), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.2022771), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.2141757), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.2260744), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.2379730), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.2498717), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.2617703), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.2736690), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.2855676), wk = 0.0027701 k( 169) = ( 0.0000000 0.0000000 0.2855676), wk = 0.0027701 k( 170) = ( 0.0000000 0.0121951 0.2855676), wk = 0.0027701 k( 171) = ( 0.0000000 0.0243902 0.2855676), wk = 0.0027701 k( 172) = ( 0.0000000 0.0365854 0.2855676), wk = 0.0027701 k( 173) = ( 0.0000000 0.0487805 0.2855676), wk = 0.0027701 k( 174) = ( 0.0000000 0.0609756 0.2855676), wk = 0.0027701 k( 175) = ( 0.0000000 0.0731707 0.2855676), wk = 0.0027701 k( 176) = ( 0.0000000 0.0853658 0.2855676), wk = 0.0027701 k( 177) = ( 0.0000000 0.0975610 0.2855676), wk = 0.0027701 k( 178) = ( 0.0000000 0.1097561 0.2855676), wk = 0.0027701 k( 179) = ( 0.0000000 0.1219512 0.2855676), wk = 0.0027701 k( 180) = ( 0.0000000 0.1341463 0.2855676), wk = 0.0027701 k( 181) = ( 0.0000000 0.1463415 0.2855676), wk = 0.0027701 k( 182) = ( 0.0000000 0.1585366 0.2855676), wk = 0.0027701 k( 183) = ( 0.0000000 0.1707317 0.2855676), wk = 0.0027701 k( 184) = ( 0.0000000 0.1829268 0.2855676), wk = 0.0027701 k( 185) = ( 0.0000000 0.1951219 0.2855676), wk = 0.0027701 k( 186) = ( 0.0000000 0.2073171 0.2855676), wk = 0.0027701 k( 187) = ( 0.0000000 0.2195122 0.2855676), wk = 0.0027701 k( 188) = ( 0.0000000 0.2317073 0.2855676), wk = 0.0027701 k( 189) = ( 0.0000000 0.2439024 0.2855676), wk = 0.0027701 k( 190) = ( 0.0000000 0.2560976 0.2855676), wk = 0.0027701 k( 191) = ( 0.0000000 0.2682927 0.2855676), wk = 0.0027701 k( 192) = ( 0.0000000 0.2804878 0.2855676), wk = 0.0027701 k( 193) = ( 0.0000000 0.2926829 0.2855676), wk = 0.0027701 k( 194) = ( 0.0000000 0.3048781 0.2855676), wk = 0.0027701 k( 195) = ( 0.0000000 0.3170732 0.2855676), wk = 0.0027701 k( 196) = ( 0.0000000 0.3292683 0.2855676), wk = 0.0027701 k( 197) = ( 0.0000000 0.3414634 0.2855676), wk = 0.0027701 k( 198) = ( 0.0000000 0.3536585 0.2855676), wk = 0.0027701 k( 199) = ( 0.0000000 0.3658537 0.2855676), wk = 0.0027701 k( 200) = ( 0.0000000 0.3780488 0.2855676), wk = 0.0027701 k( 201) = ( 0.0000000 0.3902439 0.2855676), wk = 0.0027701 k( 202) = ( 0.0000000 0.4024390 0.2855676), wk = 0.0027701 k( 203) = ( 0.0000000 0.4146341 0.2855676), wk = 0.0027701 k( 204) = ( 0.0000000 0.4268293 0.2855676), wk = 0.0027701 k( 205) = ( 0.0000000 0.4390244 0.2855676), wk = 0.0027701 k( 206) = ( 0.0000000 0.4512195 0.2855676), wk = 0.0027701 k( 207) = ( 0.0000000 0.4634146 0.2855676), wk = 0.0027701 k( 208) = ( 0.0000000 0.4756098 0.2855676), wk = 0.0027701 k( 209) = ( 0.0000000 0.4878049 0.2855676), wk = 0.0027701 k( 210) = ( 0.0000000 0.5000000 0.2855676), wk = 0.0027701 k( 211) = ( 0.0000000 0.5000000 0.2855676), wk = 0.0027701 k( 212) = ( 0.0121951 0.5000000 0.2855676), wk = 0.0027701 k( 213) = ( 0.0243902 0.5000000 0.2855676), wk = 0.0027701 k( 214) = ( 0.0365854 0.5000000 0.2855676), wk = 0.0027701 k( 215) = ( 0.0487805 0.5000000 0.2855676), wk = 0.0027701 k( 216) = ( 0.0609756 0.5000000 0.2855676), wk = 0.0027701 k( 217) = ( 0.0731707 0.5000000 0.2855676), wk = 0.0027701 k( 218) = ( 0.0853658 0.5000000 0.2855676), wk = 0.0027701 k( 219) = ( 0.0975610 0.5000000 0.2855676), wk = 0.0027701 k( 220) = ( 0.1097561 0.5000000 0.2855676), wk = 0.0027701 k( 221) = ( 0.1219512 0.5000000 0.2855676), wk = 0.0027701 k( 222) = ( 0.1341463 0.5000000 0.2855676), wk = 0.0027701 k( 223) = ( 0.1463415 0.5000000 0.2855676), wk = 0.0027701 k( 224) = ( 0.1585366 0.5000000 0.2855676), wk = 0.0027701 k( 225) = ( 0.1707317 0.5000000 0.2855676), wk = 0.0027701 k( 226) = ( 0.1829268 0.5000000 0.2855676), wk = 0.0027701 k( 227) = ( 0.1951219 0.5000000 0.2855676), wk = 0.0027701 k( 228) = ( 0.2073171 0.5000000 0.2855676), wk = 0.0027701 k( 229) = ( 0.2195122 0.5000000 0.2855676), wk = 0.0027701 k( 230) = ( 0.2317073 0.5000000 0.2855676), wk = 0.0027701 k( 231) = ( 0.2439024 0.5000000 0.2855676), wk = 0.0027701 k( 232) = ( 0.2560976 0.5000000 0.2855676), wk = 0.0027701 k( 233) = ( 0.2682927 0.5000000 0.2855676), wk = 0.0027701 k( 234) = ( 0.2804878 0.5000000 0.2855676), wk = 0.0027701 k( 235) = ( 0.2926829 0.5000000 0.2855676), wk = 0.0027701 k( 236) = ( 0.3048781 0.5000000 0.2855676), wk = 0.0027701 k( 237) = ( 0.3170732 0.5000000 0.2855676), wk = 0.0027701 k( 238) = ( 0.3292683 0.5000000 0.2855676), wk = 0.0027701 k( 239) = ( 0.3414634 0.5000000 0.2855676), wk = 0.0027701 k( 240) = ( 0.3536585 0.5000000 0.2855676), wk = 0.0027701 k( 241) = ( 0.3658537 0.5000000 0.2855676), wk = 0.0027701 k( 242) = ( 0.3780488 0.5000000 0.2855676), wk = 0.0027701 k( 243) = ( 0.3902439 0.5000000 0.2855676), wk = 0.0027701 k( 244) = ( 0.4024390 0.5000000 0.2855676), wk = 0.0027701 k( 245) = ( 0.4146341 0.5000000 0.2855676), wk = 0.0027701 k( 246) = ( 0.4268293 0.5000000 0.2855676), wk = 0.0027701 k( 247) = ( 0.4390244 0.5000000 0.2855676), wk = 0.0027701 k( 248) = ( 0.4512195 0.5000000 0.2855676), wk = 0.0027701 k( 249) = ( 0.4634146 0.5000000 0.2855676), wk = 0.0027701 k( 250) = ( 0.4756098 0.5000000 0.2855676), wk = 0.0027701 k( 251) = ( 0.4878049 0.5000000 0.2855676), wk = 0.0027701 k( 252) = ( 0.5000000 0.5000000 0.2855676), wk = 0.0027701 k( 253) = ( 0.5000000 0.5000000 0.2855676), wk = 0.0027701 k( 254) = ( 0.4913793 0.4913793 0.2855676), wk = 0.0027701 k( 255) = ( 0.4827586 0.4827586 0.2855676), wk = 0.0027701 k( 256) = ( 0.4741379 0.4741379 0.2855676), wk = 0.0027701 k( 257) = ( 0.4655172 0.4655172 0.2855676), wk = 0.0027701 k( 258) = ( 0.4568966 0.4568965 0.2855676), wk = 0.0027701 k( 259) = ( 0.4482759 0.4482759 0.2855676), wk = 0.0027701 k( 260) = ( 0.4396552 0.4396552 0.2855676), wk = 0.0027701 k( 261) = ( 0.4310345 0.4310345 0.2855676), wk = 0.0027701 k( 262) = ( 0.4224138 0.4224138 0.2855676), wk = 0.0027701 k( 263) = ( 0.4137931 0.4137931 0.2855676), wk = 0.0027701 k( 264) = ( 0.4051724 0.4051724 0.2855676), wk = 0.0027701 k( 265) = ( 0.3965517 0.3965517 0.2855676), wk = 0.0027701 k( 266) = ( 0.3879310 0.3879310 0.2855676), wk = 0.0027701 k( 267) = ( 0.3793103 0.3793103 0.2855676), wk = 0.0027701 k( 268) = ( 0.3706897 0.3706897 0.2855676), wk = 0.0027701 k( 269) = ( 0.3620690 0.3620690 0.2855676), wk = 0.0027701 k( 270) = ( 0.3534483 0.3534483 0.2855676), wk = 0.0027701 k( 271) = ( 0.3448276 0.3448276 0.2855676), wk = 0.0027701 k( 272) = ( 0.3362069 0.3362069 0.2855676), wk = 0.0027701 k( 273) = ( 0.3275862 0.3275862 0.2855676), wk = 0.0027701 k( 274) = ( 0.3189655 0.3189655 0.2855676), wk = 0.0027701 k( 275) = ( 0.3103448 0.3103448 0.2855676), wk = 0.0027701 k( 276) = ( 0.3017241 0.3017241 0.2855676), wk = 0.0027701 k( 277) = ( 0.2931034 0.2931034 0.2855676), wk = 0.0027701 k( 278) = ( 0.2844828 0.2844828 0.2855676), wk = 0.0027701 k( 279) = ( 0.2758621 0.2758621 0.2855676), wk = 0.0027701 k( 280) = ( 0.2672414 0.2672414 0.2855676), wk = 0.0027701 k( 281) = ( 0.2586207 0.2586207 0.2855676), wk = 0.0027701 k( 282) = ( 0.2500000 0.2500000 0.2855676), wk = 0.0027701 k( 283) = ( 0.2413793 0.2413793 0.2855676), wk = 0.0027701 k( 284) = ( 0.2327586 0.2327586 0.2855676), wk = 0.0027701 k( 285) = ( 0.2241379 0.2241379 0.2855676), wk = 0.0027701 k( 286) = ( 0.2155172 0.2155172 0.2855676), wk = 0.0027701 k( 287) = ( 0.2068966 0.2068965 0.2855676), wk = 0.0027701 k( 288) = ( 0.1982759 0.1982759 0.2855676), wk = 0.0027701 k( 289) = ( 0.1896552 0.1896552 0.2855676), wk = 0.0027701 k( 290) = ( 0.1810345 0.1810345 0.2855676), wk = 0.0027701 k( 291) = ( 0.1724138 0.1724138 0.2855676), wk = 0.0027701 k( 292) = ( 0.1637931 0.1637931 0.2855676), wk = 0.0027701 k( 293) = ( 0.1551724 0.1551724 0.2855676), wk = 0.0027701 k( 294) = ( 0.1465517 0.1465517 0.2855676), wk = 0.0027701 k( 295) = ( 0.1379310 0.1379310 0.2855676), wk = 0.0027701 k( 296) = ( 0.1293103 0.1293103 0.2855676), wk = 0.0027701 k( 297) = ( 0.1206897 0.1206897 0.2855676), wk = 0.0027701 k( 298) = ( 0.1120690 0.1120690 0.2855676), wk = 0.0027701 k( 299) = ( 0.1034483 0.1034483 0.2855676), wk = 0.0027701 k( 300) = ( 0.0948276 0.0948276 0.2855676), wk = 0.0027701 k( 301) = ( 0.0862069 0.0862069 0.2855676), wk = 0.0027701 k( 302) = ( 0.0775862 0.0775862 0.2855676), wk = 0.0027701 k( 303) = ( 0.0689655 0.0689655 0.2855676), wk = 0.0027701 k( 304) = ( 0.0603448 0.0603448 0.2855676), wk = 0.0027701 k( 305) = ( 0.0517241 0.0517241 0.2855676), wk = 0.0027701 k( 306) = ( 0.0431035 0.0431034 0.2855676), wk = 0.0027701 k( 307) = ( 0.0344828 0.0344828 0.2855676), wk = 0.0027701 k( 308) = ( 0.0258621 0.0258621 0.2855676), wk = 0.0027701 k( 309) = ( 0.0172414 0.0172414 0.2855676), wk = 0.0027701 k( 310) = ( 0.0086207 0.0086207 0.2855676), wk = 0.0027701 k( 311) = ( 0.0000000 0.0000000 0.2855676), wk = 0.0027701 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 313) = ( 0.0000000 0.5000000 0.0118986), wk = 0.0027701 k( 314) = ( 0.0000000 0.5000000 0.0237973), wk = 0.0027701 k( 315) = ( 0.0000000 0.5000000 0.0356960), wk = 0.0027701 k( 316) = ( 0.0000000 0.5000000 0.0475946), wk = 0.0027701 k( 317) = ( 0.0000000 0.5000000 0.0594933), wk = 0.0027701 k( 318) = ( 0.0000000 0.5000000 0.0713919), wk = 0.0027701 k( 319) = ( 0.0000000 0.5000000 0.0832906), wk = 0.0027701 k( 320) = ( 0.0000000 0.5000000 0.0951892), wk = 0.0027701 k( 321) = ( 0.0000000 0.5000000 0.1070879), wk = 0.0027701 k( 322) = ( 0.0000000 0.5000000 0.1189865), wk = 0.0027701 k( 323) = ( 0.0000000 0.5000000 0.1308852), wk = 0.0027701 k( 324) = ( 0.0000000 0.5000000 0.1427838), wk = 0.0027701 k( 325) = ( 0.0000000 0.5000000 0.1546825), wk = 0.0027701 k( 326) = ( 0.0000000 0.5000000 0.1665811), wk = 0.0027701 k( 327) = ( 0.0000000 0.5000000 0.1784798), wk = 0.0027701 k( 328) = ( 0.0000000 0.5000000 0.1903784), wk = 0.0027701 k( 329) = ( 0.0000000 0.5000000 0.2022771), wk = 0.0027701 k( 330) = ( 0.0000000 0.5000000 0.2141757), wk = 0.0027701 k( 331) = ( 0.0000000 0.5000000 0.2260744), wk = 0.0027701 k( 332) = ( 0.0000000 0.5000000 0.2379730), wk = 0.0027701 k( 333) = ( 0.0000000 0.5000000 0.2498717), wk = 0.0027701 k( 334) = ( 0.0000000 0.5000000 0.2617703), wk = 0.0027701 k( 335) = ( 0.0000000 0.5000000 0.2736690), wk = 0.0027701 k( 336) = ( 0.0000000 0.5000000 0.2855676), wk = 0.0027701 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 338) = ( 0.5000000 0.5000000 0.0118986), wk = 0.0027701 k( 339) = ( 0.5000000 0.5000000 0.0237973), wk = 0.0027701 k( 340) = ( 0.5000000 0.5000000 0.0356960), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 0.0475946), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.0594933), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.0713919), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.0832906), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.0951892), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.1070879), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.1189865), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.1308852), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.1427838), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.1546825), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.1665811), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.1784798), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.1903784), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.2022771), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.2141757), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.2260744), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.2379730), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.2498717), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.2617703), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.2736690), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.2855676), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0027701 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0027701 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0027701 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0027701 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0027701 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0027701 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0027701 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0027701 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0027701 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0027701 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0027701 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0027701 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0027701 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0027701 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0027701 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0027701 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0027701 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0027701 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0027701 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0027701 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0027701 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0027701 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0027701 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0027701 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0027701 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0027701 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0027701 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0027701 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0027701 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0027701 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0027701 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0027701 k( 90) = ( 0.4568966 0.4568966 -0.0000000), wk = 0.0027701 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0027701 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0027701 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0027701 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0027701 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0027701 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0027701 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0027701 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0027701 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0027701 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0027701 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0027701 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0027701 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0027701 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0027701 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0027701 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0027701 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0027701 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0027701 k( 109) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0027701 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0027701 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027701 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0027701 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027701 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027701 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027701 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0027701 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0027701 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0027701 k( 119) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0027701 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0027701 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0027701 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0027701 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0027701 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0027701 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0027701 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0027701 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027701 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0027701 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0027701 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0027701 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0027701 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0027701 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027701 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0027701 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027701 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0027701 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027701 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0027701 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027701 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 170) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0027701 k( 171) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0027701 k( 172) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0027701 k( 173) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0027701 k( 174) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0027701 k( 175) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0027701 k( 176) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0027701 k( 177) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0027701 k( 178) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0027701 k( 179) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0027701 k( 180) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0027701 k( 181) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0027701 k( 182) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0027701 k( 183) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0027701 k( 184) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0027701 k( 185) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0027701 k( 186) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0027701 k( 187) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0027701 k( 188) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0027701 k( 189) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0027701 k( 190) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0027701 k( 191) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0027701 k( 192) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0027701 k( 193) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0027701 k( 194) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0027701 k( 195) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0027701 k( 196) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0027701 k( 197) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0027701 k( 198) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0027701 k( 199) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0027701 k( 200) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0027701 k( 201) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0027701 k( 202) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0027701 k( 203) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0027701 k( 204) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0027701 k( 205) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0027701 k( 206) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0027701 k( 207) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0027701 k( 208) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0027701 k( 209) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0027701 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 212) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0027701 k( 213) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0027701 k( 214) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0027701 k( 215) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0027701 k( 216) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0027701 k( 217) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0027701 k( 218) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0027701 k( 219) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0027701 k( 220) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0027701 k( 221) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0027701 k( 222) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0027701 k( 223) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0027701 k( 224) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0027701 k( 225) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0027701 k( 226) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0027701 k( 227) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0027701 k( 228) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0027701 k( 229) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0027701 k( 230) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0027701 k( 231) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0027701 k( 232) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0027701 k( 233) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0027701 k( 234) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0027701 k( 235) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0027701 k( 236) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0027701 k( 237) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0027701 k( 238) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0027701 k( 239) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0027701 k( 240) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0027701 k( 241) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0027701 k( 242) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0027701 k( 243) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0027701 k( 244) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0027701 k( 245) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0027701 k( 246) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0027701 k( 247) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0027701 k( 248) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0027701 k( 249) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0027701 k( 250) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0027701 k( 251) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0027701 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 253) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 254) = ( 0.4913793 0.4913793 0.5000000), wk = 0.0027701 k( 255) = ( 0.4827586 0.4827586 0.5000000), wk = 0.0027701 k( 256) = ( 0.4741379 0.4741379 0.5000000), wk = 0.0027701 k( 257) = ( 0.4655172 0.4655172 0.5000000), wk = 0.0027701 k( 258) = ( 0.4568966 0.4568966 0.5000000), wk = 0.0027701 k( 259) = ( 0.4482759 0.4482759 0.5000000), wk = 0.0027701 k( 260) = ( 0.4396552 0.4396552 0.5000000), wk = 0.0027701 k( 261) = ( 0.4310345 0.4310345 0.5000000), wk = 0.0027701 k( 262) = ( 0.4224138 0.4224138 0.5000000), wk = 0.0027701 k( 263) = ( 0.4137931 0.4137931 0.5000000), wk = 0.0027701 k( 264) = ( 0.4051724 0.4051724 0.5000000), wk = 0.0027701 k( 265) = ( 0.3965517 0.3965517 0.5000000), wk = 0.0027701 k( 266) = ( 0.3879310 0.3879310 0.5000000), wk = 0.0027701 k( 267) = ( 0.3793103 0.3793103 0.5000000), wk = 0.0027701 k( 268) = ( 0.3706897 0.3706897 0.5000000), wk = 0.0027701 k( 269) = ( 0.3620690 0.3620690 0.5000000), wk = 0.0027701 k( 270) = ( 0.3534483 0.3534483 0.5000000), wk = 0.0027701 k( 271) = ( 0.3448276 0.3448276 0.5000000), wk = 0.0027701 k( 272) = ( 0.3362069 0.3362069 0.5000000), wk = 0.0027701 k( 273) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027701 k( 274) = ( 0.3189655 0.3189655 0.5000000), wk = 0.0027701 k( 275) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027701 k( 276) = ( 0.3017241 0.3017241 0.5000000), wk = 0.0027701 k( 277) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027701 k( 278) = ( 0.2844828 0.2844828 0.5000000), wk = 0.0027701 k( 279) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027701 k( 280) = ( 0.2672414 0.2672414 0.5000000), wk = 0.0027701 k( 281) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027701 k( 282) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027701 k( 283) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027701 k( 284) = ( 0.2327586 0.2327586 0.5000000), wk = 0.0027701 k( 285) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027701 k( 286) = ( 0.2155172 0.2155172 0.5000000), wk = 0.0027701 k( 287) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027701 k( 288) = ( 0.1982759 0.1982759 0.5000000), wk = 0.0027701 k( 289) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027701 k( 290) = ( 0.1810345 0.1810345 0.5000000), wk = 0.0027701 k( 291) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027701 k( 292) = ( 0.1637931 0.1637931 0.5000000), wk = 0.0027701 k( 293) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027701 k( 294) = ( 0.1465517 0.1465517 0.5000000), wk = 0.0027701 k( 295) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027701 k( 296) = ( 0.1293103 0.1293103 0.5000000), wk = 0.0027701 k( 297) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027701 k( 298) = ( 0.1120690 0.1120690 0.5000000), wk = 0.0027701 k( 299) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027701 k( 300) = ( 0.0948276 0.0948276 0.5000000), wk = 0.0027701 k( 301) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027701 k( 302) = ( 0.0775862 0.0775862 0.5000000), wk = 0.0027701 k( 303) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027701 k( 304) = ( 0.0603448 0.0603448 0.5000000), wk = 0.0027701 k( 305) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027701 k( 306) = ( 0.0431035 0.0431035 0.5000000), wk = 0.0027701 k( 307) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027701 k( 308) = ( 0.0258621 0.0258621 0.5000000), wk = 0.0027701 k( 309) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027701 k( 310) = ( 0.0086207 0.0086207 0.5000000), wk = 0.0027701 k( 311) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 312) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 313) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0027701 k( 314) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0027701 k( 315) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0027701 k( 316) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027701 k( 317) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0027701 k( 318) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027701 k( 319) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0027701 k( 320) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027701 k( 321) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0027701 k( 322) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0027701 k( 323) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0027701 k( 324) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027701 k( 325) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0027701 k( 326) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0027701 k( 327) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0027701 k( 328) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027701 k( 329) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0027701 k( 330) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027701 k( 331) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0027701 k( 332) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027701 k( 333) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0027701 k( 334) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0027701 k( 335) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0027701 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 338) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0027701 k( 339) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0027701 k( 340) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 Dense grid: 66489 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 33357 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 242, 58) NL pseudopotentials 0.30 Mb ( 121, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1846) G-vector shells 0.01 Mb ( 890) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 242, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaClF.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.3 secs Computing kpt #: 11 total cpu time spent up to now is 14.3 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.2 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.3 secs Computing kpt #: 19 total cpu time spent up to now is 22.3 secs Computing kpt #: 20 total cpu time spent up to now is 23.2 secs Computing kpt #: 21 total cpu time spent up to now is 24.6 secs Computing kpt #: 22 total cpu time spent up to now is 25.8 secs Computing kpt #: 23 total cpu time spent up to now is 26.7 secs Computing kpt #: 24 total cpu time spent up to now is 27.6 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 29.4 secs Computing kpt #: 27 total cpu time spent up to now is 30.3 secs Computing kpt #: 28 total cpu time spent up to now is 31.2 secs Computing kpt #: 29 total cpu time spent up to now is 32.1 secs Computing kpt #: 30 total cpu time spent up to now is 33.0 secs Computing kpt #: 31 total cpu time spent up to now is 33.9 secs Computing kpt #: 32 total cpu time spent up to now is 34.9 secs Computing kpt #: 33 total cpu time spent up to now is 36.5 secs Computing kpt #: 34 total cpu time spent up to now is 37.4 secs Computing kpt #: 35 total cpu time spent up to now is 38.4 secs Computing kpt #: 36 total cpu time spent up to now is 39.3 secs Computing kpt #: 37 total cpu time spent up to now is 40.3 secs Computing kpt #: 38 total cpu time spent up to now is 41.2 secs Computing kpt #: 39 total cpu time spent up to now is 42.3 secs Computing kpt #: 40 total cpu time spent up to now is 43.5 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.1 secs Computing kpt #: 42 total cpu time spent up to now is 46.1 secs Computing kpt #: 43 total cpu time spent up to now is 46.9 secs Computing kpt #: 44 total cpu time spent up to now is 47.8 secs Computing kpt #: 45 total cpu time spent up to now is 51.0 secs Computing kpt #: 46 total cpu time spent up to now is 52.1 secs Computing kpt #: 47 total cpu time spent up to now is 53.1 secs Computing kpt #: 48 total cpu time spent up to now is 54.1 secs Computing kpt #: 49 total cpu time spent up to now is 55.2 secs Computing kpt #: 50 total cpu time spent up to now is 56.3 secs Computing kpt #: 51 total cpu time spent up to now is 57.4 secs Computing kpt #: 52 total cpu time spent up to now is 58.4 secs Computing kpt #: 53 total cpu time spent up to now is 59.6 secs Computing kpt #: 54 total cpu time spent up to now is 60.7 secs Computing kpt #: 55 total cpu time spent up to now is 61.8 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.5 secs Computing kpt #: 57 total cpu time spent up to now is 64.5 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.2 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.8 secs Computing kpt #: 60 total cpu time spent up to now is 68.9 secs Computing kpt #: 61 total cpu time spent up to now is 69.8 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.4 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.0 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.7 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.3 secs Computing kpt #: 66 total cpu time spent up to now is 77.2 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.0 secs Computing kpt #: 68 total cpu time spent up to now is 80.0 secs Computing kpt #: 69 total cpu time spent up to now is 81.0 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.4 secs Computing kpt #: 72 total cpu time spent up to now is 85.4 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.0 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.7 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.4 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 77 total cpu time spent up to now is 93.3 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.3 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.8 secs Computing kpt #: 81 total cpu time spent up to now is 100.3 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.1 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 84 total cpu time spent up to now is 105.3 secs Computing kpt #: 85 total cpu time spent up to now is 106.4 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.1 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.8 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.5 secs Computing kpt #: 89 total cpu time spent up to now is 112.5 secs Computing kpt #: 90 total cpu time spent up to now is 113.8 secs Computing kpt #: 91 total cpu time spent up to now is 114.9 secs Computing kpt #: 92 total cpu time spent up to now is 116.1 secs Computing kpt #: 93 total cpu time spent up to now is 117.3 secs Computing kpt #: 94 total cpu time spent up to now is 118.3 secs Computing kpt #: 95 total cpu time spent up to now is 119.3 secs Computing kpt #: 96 total cpu time spent up to now is 120.2 secs Computing kpt #: 97 total cpu time spent up to now is 121.1 secs Computing kpt #: 98 total cpu time spent up to now is 122.0 secs Computing kpt #: 99 total cpu time spent up to now is 122.9 secs Computing kpt #: 100 total cpu time spent up to now is 123.9 secs Computing kpt #: 101 total cpu time spent up to now is 124.8 secs Computing kpt #: 102 total cpu time spent up to now is 125.8 secs Computing kpt #: 103 total cpu time spent up to now is 126.8 secs Computing kpt #: 104 total cpu time spent up to now is 127.8 secs Computing kpt #: 105 total cpu time spent up to now is 128.7 secs Computing kpt #: 106 total cpu time spent up to now is 129.7 secs Computing kpt #: 107 total cpu time spent up to now is 130.6 secs Computing kpt #: 108 total cpu time spent up to now is 131.5 secs Computing kpt #: 109 total cpu time spent up to now is 132.4 secs Computing kpt #: 110 total cpu time spent up to now is 133.2 secs Computing kpt #: 111 total cpu time spent up to now is 134.1 secs Computing kpt #: 112 total cpu time spent up to now is 134.9 secs Computing kpt #: 113 total cpu time spent up to now is 135.8 secs Computing kpt #: 114 total cpu time spent up to now is 136.6 secs Computing kpt #: 115 total cpu time spent up to now is 137.4 secs Computing kpt #: 116 total cpu time spent up to now is 138.3 secs Computing kpt #: 117 total cpu time spent up to now is 139.1 secs Computing kpt #: 118 total cpu time spent up to now is 140.0 secs Computing kpt #: 119 total cpu time spent up to now is 140.9 secs Computing kpt #: 120 total cpu time spent up to now is 141.8 secs Computing kpt #: 121 total cpu time spent up to now is 142.7 secs Computing kpt #: 122 total cpu time spent up to now is 143.7 secs Computing kpt #: 123 total cpu time spent up to now is 144.7 secs Computing kpt #: 124 total cpu time spent up to now is 145.6 secs Computing kpt #: 125 total cpu time spent up to now is 146.6 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.0 secs Computing kpt #: 128 total cpu time spent up to now is 151.0 secs Computing kpt #: 129 total cpu time spent up to now is 152.0 secs Computing kpt #: 130 total cpu time spent up to now is 153.0 secs Computing kpt #: 131 total cpu time spent up to now is 154.0 secs Computing kpt #: 132 total cpu time spent up to now is 155.0 secs Computing kpt #: 133 total cpu time spent up to now is 156.0 secs Computing kpt #: 134 total cpu time spent up to now is 157.0 secs Computing kpt #: 135 total cpu time spent up to now is 157.9 secs Computing kpt #: 136 total cpu time spent up to now is 158.8 secs Computing kpt #: 137 total cpu time spent up to now is 159.8 secs Computing kpt #: 138 total cpu time spent up to now is 160.7 secs Computing kpt #: 139 total cpu time spent up to now is 161.6 secs Computing kpt #: 140 total cpu time spent up to now is 162.4 secs Computing kpt #: 141 total cpu time spent up to now is 163.3 secs Computing kpt #: 142 total cpu time spent up to now is 164.2 secs Computing kpt #: 143 total cpu time spent up to now is 165.0 secs Computing kpt #: 144 total cpu time spent up to now is 165.9 secs Computing kpt #: 145 total cpu time spent up to now is 166.8 secs Computing kpt #: 146 total cpu time spent up to now is 167.7 secs Computing kpt #: 147 total cpu time spent up to now is 168.6 secs Computing kpt #: 148 total cpu time spent up to now is 169.5 secs Computing kpt #: 149 total cpu time spent up to now is 170.3 secs Computing kpt #: 150 total cpu time spent up to now is 171.2 secs Computing kpt #: 151 total cpu time spent up to now is 172.1 secs Computing kpt #: 152 total cpu time spent up to now is 173.0 secs Computing kpt #: 153 total cpu time spent up to now is 173.9 secs Computing kpt #: 154 total cpu time spent up to now is 174.8 secs Computing kpt #: 155 total cpu time spent up to now is 175.6 secs Computing kpt #: 156 total cpu time spent up to now is 176.6 secs Computing kpt #: 157 total cpu time spent up to now is 177.4 secs Computing kpt #: 158 total cpu time spent up to now is 178.4 secs Computing kpt #: 159 total cpu time spent up to now is 179.3 secs Computing kpt #: 160 total cpu time spent up to now is 180.2 secs Computing kpt #: 161 total cpu time spent up to now is 181.1 secs Computing kpt #: 162 total cpu time spent up to now is 182.0 secs Computing kpt #: 163 total cpu time spent up to now is 182.9 secs Computing kpt #: 164 total cpu time spent up to now is 183.8 secs Computing kpt #: 165 total cpu time spent up to now is 184.7 secs Computing kpt #: 166 total cpu time spent up to now is 185.7 secs Computing kpt #: 167 total cpu time spent up to now is 186.6 secs Computing kpt #: 168 total cpu time spent up to now is 187.5 secs Computing kpt #: 169 total cpu time spent up to now is 188.4 secs Computing kpt #: 170 total cpu time spent up to now is 189.3 secs Computing kpt #: 171 total cpu time spent up to now is 190.2 secs Computing kpt #: 172 total cpu time spent up to now is 191.1 secs Computing kpt #: 173 total cpu time spent up to now is 192.1 secs Computing kpt #: 174 total cpu time spent up to now is 193.0 secs Computing kpt #: 175 total cpu time spent up to now is 193.8 secs Computing kpt #: 176 total cpu time spent up to now is 194.8 secs Computing kpt #: 177 total cpu time spent up to now is 195.7 secs Computing kpt #: 178 total cpu time spent up to now is 196.7 secs Computing kpt #: 179 total cpu time spent up to now is 197.5 secs Computing kpt #: 180 total cpu time spent up to now is 198.4 secs Computing kpt #: 181 total cpu time spent up to now is 199.2 secs Computing kpt #: 182 total cpu time spent up to now is 200.1 secs Computing kpt #: 183 total cpu time spent up to now is 200.9 secs Computing kpt #: 184 total cpu time spent up to now is 201.8 secs Computing kpt #: 185 total cpu time spent up to now is 202.7 secs Computing kpt #: 186 total cpu time spent up to now is 203.5 secs Computing kpt #: 187 total cpu time spent up to now is 204.4 secs Computing kpt #: 188 total cpu time spent up to now is 205.2 secs Computing kpt #: 189 total cpu time spent up to now is 206.1 secs Computing kpt #: 190 total cpu time spent up to now is 207.0 secs Computing kpt #: 191 total cpu time spent up to now is 207.8 secs Computing kpt #: 192 total cpu time spent up to now is 208.7 secs Computing kpt #: 193 total cpu time spent up to now is 209.6 secs Computing kpt #: 194 total cpu time spent up to now is 210.4 secs Computing kpt #: 195 total cpu time spent up to now is 211.3 secs Computing kpt #: 196 total cpu time spent up to now is 212.2 secs Computing kpt #: 197 total cpu time spent up to now is 213.1 secs Computing kpt #: 198 total cpu time spent up to now is 214.0 secs Computing kpt #: 199 total cpu time spent up to now is 214.9 secs Computing kpt #: 200 total cpu time spent up to now is 215.7 secs Computing kpt #: 201 total cpu time spent up to now is 216.6 secs Computing kpt #: 202 total cpu time spent up to now is 217.5 secs Computing kpt #: 203 total cpu time spent up to now is 218.4 secs Computing kpt #: 204 total cpu time spent up to now is 219.3 secs Computing kpt #: 205 total cpu time spent up to now is 220.2 secs Computing kpt #: 206 total cpu time spent up to now is 221.3 secs Computing kpt #: 207 total cpu time spent up to now is 222.2 secs Computing kpt #: 208 total cpu time spent up to now is 223.2 secs Computing kpt #: 209 total cpu time spent up to now is 224.4 secs Computing kpt #: 210 total cpu time spent up to now is 225.3 secs Computing kpt #: 211 total cpu time spent up to now is 226.4 secs Computing kpt #: 212 total cpu time spent up to now is 227.8 secs Computing kpt #: 213 total cpu time spent up to now is 229.3 secs Computing kpt #: 214 total cpu time spent up to now is 230.7 secs Computing kpt #: 215 total cpu time spent up to now is 232.2 secs Computing kpt #: 216 total cpu time spent up to now is 233.6 secs Computing kpt #: 217 total cpu time spent up to now is 235.0 secs Computing kpt #: 218 total cpu time spent up to now is 236.4 secs Computing kpt #: 219 total cpu time spent up to now is 237.8 secs Computing kpt #: 220 total cpu time spent up to now is 239.1 secs Computing kpt #: 221 total cpu time spent up to now is 240.4 secs Computing kpt #: 222 total cpu time spent up to now is 241.7 secs Computing kpt #: 223 total cpu time spent up to now is 243.0 secs Computing kpt #: 224 total cpu time spent up to now is 244.2 secs Computing kpt #: 225 total cpu time spent up to now is 245.5 secs Computing kpt #: 226 total cpu time spent up to now is 246.7 secs Computing kpt #: 227 total cpu time spent up to now is 248.1 secs Computing kpt #: 228 total cpu time spent up to now is 249.4 secs Computing kpt #: 229 total cpu time spent up to now is 250.5 secs Computing kpt #: 230 total cpu time spent up to now is 251.8 secs Computing kpt #: 231 total cpu time spent up to now is 253.1 secs Computing kpt #: 232 total cpu time spent up to now is 254.3 secs Computing kpt #: 233 total cpu time spent up to now is 255.7 secs Computing kpt #: 234 total cpu time spent up to now is 257.1 secs Computing kpt #: 235 total cpu time spent up to now is 258.5 secs Computing kpt #: 236 total cpu time spent up to now is 259.8 secs Computing kpt #: 237 total cpu time spent up to now is 261.3 secs Computing kpt #: 238 total cpu time spent up to now is 262.7 secs Computing kpt #: 239 total cpu time spent up to now is 264.1 secs Computing kpt #: 240 total cpu time spent up to now is 265.4 secs Computing kpt #: 241 total cpu time spent up to now is 266.9 secs Computing kpt #: 242 total cpu time spent up to now is 268.3 secs Computing kpt #: 243 total cpu time spent up to now is 269.7 secs Computing kpt #: 244 total cpu time spent up to now is 271.0 secs Computing kpt #: 245 total cpu time spent up to now is 272.4 secs Computing kpt #: 246 total cpu time spent up to now is 273.5 secs Computing kpt #: 247 total cpu time spent up to now is 274.4 secs Computing kpt #: 248 total cpu time spent up to now is 275.3 secs Computing kpt #: 249 total cpu time spent up to now is 276.2 secs Computing kpt #: 250 total cpu time spent up to now is 277.2 secs Computing kpt #: 251 total cpu time spent up to now is 278.2 secs Computing kpt #: 252 total cpu time spent up to now is 279.0 secs Computing kpt #: 253 total cpu time spent up to now is 279.8 secs Computing kpt #: 254 total cpu time spent up to now is 280.6 secs Computing kpt #: 255 total cpu time spent up to now is 281.6 secs Computing kpt #: 256 total cpu time spent up to now is 282.6 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.3 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.1 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.8 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.8 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.6 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.4 secs Computing kpt #: 263 total cpu time spent up to now is 294.7 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.4 secs Computing kpt #: 265 total cpu time spent up to now is 297.9 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.7 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.4 secs Computing kpt #: 268 total cpu time spent up to now is 302.8 secs Computing kpt #: 269 total cpu time spent up to now is 304.0 secs Computing kpt #: 270 total cpu time spent up to now is 305.3 secs Computing kpt #: 271 total cpu time spent up to now is 306.5 secs Computing kpt #: 272 total cpu time spent up to now is 307.8 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.5 secs Computing kpt #: 274 total cpu time spent up to now is 310.7 secs Computing kpt #: 275 total cpu time spent up to now is 312.0 secs Computing kpt #: 276 total cpu time spent up to now is 313.3 secs Computing kpt #: 277 total cpu time spent up to now is 314.9 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.7 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.5 secs Computing kpt #: 280 total cpu time spent up to now is 319.9 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.9 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.6 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.4 secs Computing kpt #: 284 total cpu time spent up to now is 329.1 secs Computing kpt #: 285 total cpu time spent up to now is 330.4 secs Computing kpt #: 286 total cpu time spent up to now is 331.6 secs Computing kpt #: 287 total cpu time spent up to now is 332.6 secs Computing kpt #: 288 total cpu time spent up to now is 333.7 secs Computing kpt #: 289 total cpu time spent up to now is 334.7 secs Computing kpt #: 290 total cpu time spent up to now is 335.8 secs Computing kpt #: 291 total cpu time spent up to now is 336.9 secs Computing kpt #: 292 total cpu time spent up to now is 337.8 secs Computing kpt #: 293 total cpu time spent up to now is 338.7 secs Computing kpt #: 294 total cpu time spent up to now is 339.5 secs Computing kpt #: 295 total cpu time spent up to now is 340.5 secs Computing kpt #: 296 total cpu time spent up to now is 341.4 secs Computing kpt #: 297 total cpu time spent up to now is 342.3 secs Computing kpt #: 298 total cpu time spent up to now is 343.2 secs Computing kpt #: 299 total cpu time spent up to now is 344.0 secs Computing kpt #: 300 total cpu time spent up to now is 344.9 secs Computing kpt #: 301 total cpu time spent up to now is 345.9 secs Computing kpt #: 302 total cpu time spent up to now is 346.9 secs Computing kpt #: 303 total cpu time spent up to now is 347.8 secs Computing kpt #: 304 total cpu time spent up to now is 348.8 secs Computing kpt #: 305 total cpu time spent up to now is 349.7 secs Computing kpt #: 306 total cpu time spent up to now is 350.7 secs Computing kpt #: 307 total cpu time spent up to now is 351.7 secs Computing kpt #: 308 total cpu time spent up to now is 352.6 secs Computing kpt #: 309 total cpu time spent up to now is 353.5 secs Computing kpt #: 310 total cpu time spent up to now is 354.4 secs Computing kpt #: 311 total cpu time spent up to now is 355.4 secs Computing kpt #: 312 total cpu time spent up to now is 356.2 secs Computing kpt #: 313 total cpu time spent up to now is 357.0 secs Computing kpt #: 314 total cpu time spent up to now is 357.8 secs Computing kpt #: 315 total cpu time spent up to now is 358.7 secs Computing kpt #: 316 total cpu time spent up to now is 359.6 secs Computing kpt #: 317 total cpu time spent up to now is 360.4 secs Computing kpt #: 318 total cpu time spent up to now is 361.3 secs Computing kpt #: 319 total cpu time spent up to now is 362.1 secs Computing kpt #: 320 total cpu time spent up to now is 362.9 secs Computing kpt #: 321 total cpu time spent up to now is 363.8 secs Computing kpt #: 322 total cpu time spent up to now is 364.7 secs Computing kpt #: 323 total cpu time spent up to now is 365.6 secs Computing kpt #: 324 total cpu time spent up to now is 366.4 secs Computing kpt #: 325 total cpu time spent up to now is 367.3 secs Computing kpt #: 326 total cpu time spent up to now is 368.2 secs Computing kpt #: 327 total cpu time spent up to now is 369.1 secs Computing kpt #: 328 total cpu time spent up to now is 370.1 secs Computing kpt #: 329 total cpu time spent up to now is 371.0 secs Computing kpt #: 330 total cpu time spent up to now is 372.0 secs Computing kpt #: 331 total cpu time spent up to now is 372.9 secs Computing kpt #: 332 total cpu time spent up to now is 373.9 secs Computing kpt #: 333 total cpu time spent up to now is 374.9 secs Computing kpt #: 334 total cpu time spent up to now is 375.9 secs Computing kpt #: 335 total cpu time spent up to now is 376.9 secs Computing kpt #: 336 total cpu time spent up to now is 378.0 secs Computing kpt #: 337 total cpu time spent up to now is 379.1 secs Computing kpt #: 338 total cpu time spent up to now is 380.5 secs Computing kpt #: 339 total cpu time spent up to now is 381.8 secs Computing kpt #: 340 total cpu time spent up to now is 383.0 secs Computing kpt #: 341 total cpu time spent up to now is 384.0 secs Computing kpt #: 342 total cpu time spent up to now is 384.9 secs Computing kpt #: 343 total cpu time spent up to now is 385.9 secs Computing kpt #: 344 total cpu time spent up to now is 386.8 secs Computing kpt #: 345 total cpu time spent up to now is 387.8 secs Computing kpt #: 346 total cpu time spent up to now is 388.7 secs Computing kpt #: 347 total cpu time spent up to now is 389.6 secs Computing kpt #: 348 total cpu time spent up to now is 390.5 secs Computing kpt #: 349 total cpu time spent up to now is 391.4 secs Computing kpt #: 350 total cpu time spent up to now is 392.3 secs Computing kpt #: 351 total cpu time spent up to now is 393.1 secs Computing kpt #: 352 total cpu time spent up to now is 393.9 secs Computing kpt #: 353 total cpu time spent up to now is 394.8 secs Computing kpt #: 354 total cpu time spent up to now is 395.6 secs Computing kpt #: 355 total cpu time spent up to now is 396.5 secs Computing kpt #: 356 total cpu time spent up to now is 397.3 secs Computing kpt #: 357 total cpu time spent up to now is 398.2 secs Computing kpt #: 358 total cpu time spent up to now is 399.0 secs Computing kpt #: 359 total cpu time spent up to now is 400.0 secs Computing kpt #: 360 total cpu time spent up to now is 400.8 secs Computing kpt #: 361 total cpu time spent up to now is 401.6 secs ethr = 2.08E-08, avg # of iterations = 58.0 total cpu time spent up to now is 401.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4187 -14.4187 -14.3893 -14.3893 -14.0888 -14.0888 -14.0447 -14.0447 -14.0327 -14.0327 -13.7791 -13.7791 -8.2432 -8.2432 -7.6305 -7.6305 1.3798 1.3798 1.3978 1.3978 1.4060 1.4060 1.9995 1.9995 2.8657 2.8657 2.9077 2.9077 3.1525 3.1525 3.6646 3.6646 3.7362 3.7362 4.6738 4.6738 4.7915 4.7915 4.8209 4.8209 10.4303 10.4303 11.1593 11.1593 11.3923 11.3923 11.8040 11.8040 12.0102 12.0102 k = 0.0000 0.0122-0.0000 ( 4191 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8553 -16.8553 -16.0490 -16.0490 -14.4190 -14.4190 -14.3888 -14.3888 -14.0886 -14.0886 -14.0447 -14.0447 -14.0328 -14.0328 -13.7789 -13.7789 -8.2428 -8.2428 -7.6304 -7.6304 1.3799 1.3799 1.3974 1.3974 1.4070 1.4070 1.9995 1.9995 2.8642 2.8642 2.9061 2.9061 3.1548 3.1548 3.6642 3.6642 3.7357 3.7357 4.6732 4.6732 4.7908 4.7908 4.8195 4.8195 10.4329 10.4329 11.1630 11.1630 11.3931 11.3931 11.8050 11.8050 12.0110 12.0110 k = 0.0000 0.0244-0.0000 ( 4187 PWs) bands (ev): -33.2187 -33.2187 -33.1964 -33.1964 -16.8550 -16.8550 -16.0508 -16.0508 -14.4199 -14.4199 -14.3875 -14.3875 -14.0881 -14.0881 -14.0449 -14.0449 -14.0333 -14.0333 -13.7781 -13.7781 -8.2417 -8.2417 -7.6303 -7.6303 1.3800 1.3800 1.3969 1.3969 1.4096 1.4096 1.9993 1.9993 2.8597 2.8597 2.9016 2.9016 3.1612 3.1612 3.6627 3.6627 3.7343 3.7343 4.6714 4.6714 4.7888 4.7888 4.8156 4.8156 10.4408 10.4408 11.1741 11.1741 11.3954 11.3954 11.8078 11.8078 12.0133 12.0133 k = 0.0000 0.0366-0.0000 ( 4185 PWs) bands (ev): -33.2186 -33.2186 -33.1964 -33.1964 -16.8544 -16.8544 -16.0539 -16.0539 -14.4211 -14.4211 -14.3854 -14.3854 -14.0872 -14.0872 -14.0453 -14.0453 -14.0340 -14.0340 -13.7770 -13.7770 -8.2397 -8.2397 -7.6302 -7.6302 1.3799 1.3799 1.3970 1.3970 1.4131 1.4131 1.9989 1.9989 2.8521 2.8521 2.8949 2.8949 3.1711 3.1711 3.6599 3.6599 3.7324 3.7324 4.6682 4.6682 4.7850 4.7850 4.8098 4.8098 10.4537 10.4537 11.1925 11.1925 11.3992 11.3992 11.8125 11.8125 12.0169 12.0169 k = 0.0000 0.0488-0.0000 ( 4187 PWs) bands (ev): -33.2185 -33.2185 -33.1964 -33.1964 -16.8536 -16.8536 -16.0582 -16.0582 -14.4226 -14.4226 -14.3829 -14.3829 -14.0860 -14.0860 -14.0459 -14.0459 -14.0349 -14.0349 -13.7754 -13.7754 -8.2370 -8.2370 -7.6300 -7.6300 1.3796 1.3796 1.3983 1.3983 1.4172 1.4172 1.9984 1.9984 2.8414 2.8414 2.8869 2.8869 3.1838 3.1838 3.6556 3.6556 3.7304 3.7304 4.6630 4.6630 4.7788 4.7788 4.8033 4.8033 10.4717 10.4717 11.2179 11.2179 11.4044 11.4044 11.8191 11.8191 12.0211 12.0211 k = 0.0000 0.0610-0.0000 ( 4187 PWs) bands (ev): -33.2183 -33.2183 -33.1964 -33.1964 -16.8526 -16.8526 -16.0637 -16.0637 -14.4242 -14.4242 -14.3799 -14.3799 -14.0844 -14.0844 -14.0468 -14.0468 -14.0359 -14.0359 -13.7735 -13.7735 -8.2336 -8.2336 -7.6297 -7.6297 1.3789 1.3789 1.4007 1.4007 1.4219 1.4219 1.9976 1.9976 2.8280 2.8280 2.8779 2.8779 3.1983 3.1983 3.6491 3.6491 3.7289 3.7289 4.6552 4.6552 4.7700 4.7700 4.7974 4.7974 10.4947 10.4947 11.2501 11.2501 11.4110 11.4110 11.8275 11.8275 12.0252 12.0252 k = 0.0000 0.0732-0.0000 ( 4183 PWs) bands (ev): -33.2181 -33.2181 -33.1964 -33.1964 -16.8513 -16.8513 -16.0703 -16.0703 -14.4258 -14.4258 -14.3767 -14.3767 -14.0824 -14.0824 -14.0481 -14.0481 -14.0368 -14.0368 -13.7712 -13.7712 -8.2293 -8.2293 -7.6294 -7.6294 1.3780 1.3780 1.4043 1.4043 1.4271 1.4271 1.9966 1.9966 2.8125 2.8125 2.8680 2.8680 3.2139 3.2139 3.6404 3.6404 3.7283 3.7283 4.6441 4.6441 4.7593 4.7593 4.7922 4.7922 10.5226 10.5226 11.2886 11.2886 11.4190 11.4190 11.8377 11.8377 12.0279 12.0279 k = 0.0000 0.0854-0.0000 ( 4175 PWs) bands (ev): -33.2178 -33.2178 -33.1963 -33.1963 -16.8498 -16.8498 -16.0780 -16.0780 -14.4273 -14.4273 -14.3733 -14.3733 -14.0800 -14.0800 -14.0498 -14.0498 -14.0375 -14.0375 -13.7687 -13.7687 -8.2244 -8.2244 -7.6290 -7.6290 1.3770 1.3770 1.4090 1.4090 1.4328 1.4328 1.9953 1.9953 2.7954 2.7954 2.8573 2.8573 3.2301 3.2301 3.6293 3.6293 3.7289 3.7289 4.6289 4.6289 4.7479 4.7479 4.7875 4.7875 10.5551 10.5551 11.3331 11.3331 11.4282 11.4282 11.8497 11.8497 12.0276 12.0276 k = 0.0000 0.0976-0.0000 ( 4185 PWs) bands (ev): -33.2176 -33.2176 -33.1963 -33.1963 -16.8481 -16.8481 -16.0868 -16.0868 -14.4288 -14.4288 -14.3699 -14.3699 -14.0773 -14.0773 -14.0519 -14.0519 -14.0381 -14.0381 -13.7660 -13.7660 -8.2187 -8.2187 -7.6287 -7.6287 1.3759 1.3759 1.4145 1.4145 1.4391 1.4391 1.9935 1.9935 2.7772 2.7772 2.8456 2.8456 3.2464 3.2464 3.6161 3.6161 3.7308 3.7308 4.6094 4.6094 4.7368 4.7368 4.7832 4.7832 10.5921 10.5921 11.3829 11.3829 11.4386 11.4386 11.8634 11.8634 12.0226 12.0226 k = 0.0000 0.1098-0.0000 ( 4191 PWs) bands (ev): -33.2172 -33.2172 -33.1962 -33.1962 -16.8461 -16.8461 -16.0967 -16.0967 -14.4301 -14.4301 -14.3665 -14.3665 -14.0743 -14.0743 -14.0543 -14.0543 -14.0386 -14.0386 -13.7631 -13.7631 -8.2123 -8.2123 -7.6284 -7.6284 1.3748 1.3748 1.4209 1.4209 1.4458 1.4458 1.9913 1.9913 2.7585 2.7585 2.8327 2.8327 3.2622 3.2622 3.6010 3.6010 3.7338 3.7338 4.5859 4.5859 4.7262 4.7262 4.7790 4.7790 10.6334 10.6334 11.4375 11.4375 11.4500 11.4500 11.8787 11.8787 12.0123 12.0123 k = 0.0000 0.1220-0.0000 ( 4187 PWs) bands (ev): -33.2169 -33.2169 -33.1962 -33.1962 -16.8439 -16.8439 -16.1075 -16.1075 -14.4312 -14.4312 -14.3631 -14.3631 -14.0708 -14.0708 -14.0568 -14.0568 -14.0389 -14.0389 -13.7602 -13.7602 -8.2051 -8.2051 -7.6282 -7.6282 1.3737 1.3737 1.4281 1.4281 1.4532 1.4532 1.9886 1.9886 2.7394 2.7394 2.8188 2.8188 3.2773 3.2773 3.5844 3.5844 3.7378 3.7378 4.5591 4.5591 4.7159 4.7159 4.7750 4.7750 10.6787 10.6787 11.4623 11.4623 11.4958 11.4958 11.8956 11.8956 11.9974 11.9974 k = 0.0000 0.1341-0.0000 ( 4187 PWs) bands (ev): -33.2165 -33.2165 -33.1961 -33.1961 -16.8414 -16.8414 -16.1192 -16.1192 -14.4321 -14.4321 -14.3598 -14.3598 -14.0670 -14.0670 -14.0595 -14.0595 -14.0391 -14.0391 -13.7573 -13.7573 -8.1973 -8.1973 -7.6280 -7.6280 1.3728 1.3728 1.4361 1.4361 1.4613 1.4613 1.9853 1.9853 2.7202 2.7202 2.8038 2.8038 3.2914 3.2914 3.5667 3.5667 3.7427 3.7427 4.5299 4.5299 4.7056 4.7056 4.7711 4.7711 10.7278 10.7278 11.4755 11.4755 11.5569 11.5569 11.9140 11.9140 11.9794 11.9794 k = 0.0000 0.1463-0.0000 ( 4177 PWs) bands (ev): -33.2161 -33.2161 -33.1961 -33.1961 -16.8387 -16.8387 -16.1317 -16.1317 -14.4329 -14.4329 -14.3566 -14.3566 -14.0630 -14.0630 -14.0620 -14.0620 -14.0392 -14.0392 -13.7544 -13.7544 -8.1888 -8.1888 -7.6279 -7.6279 1.3718 1.3718 1.4448 1.4448 1.4700 1.4700 1.9813 1.9813 2.7011 2.7011 2.7876 2.7876 3.3039 3.3039 3.5481 3.5481 3.7486 3.7486 4.4993 4.4993 4.6950 4.6950 4.7673 4.7673 10.7806 10.7806 11.4893 11.4893 11.6188 11.6188 11.9337 11.9338 11.9604 11.9604 k = 0.0000 0.1585-0.0000 ( 4179 PWs) bands (ev): -33.2157 -33.2157 -33.1960 -33.1960 -16.8356 -16.8356 -16.1451 -16.1451 -14.4334 -14.4334 -14.3537 -14.3537 -14.0650 -14.0650 -14.0582 -14.0582 -14.0393 -14.0393 -13.7517 -13.7517 -8.1797 -8.1797 -7.6279 -7.6279 1.3710 1.3710 1.4542 1.4542 1.4793 1.4793 1.9765 1.9765 2.6822 2.6822 2.7703 2.7703 3.3147 3.3147 3.5290 3.5290 3.7551 3.7551 4.4682 4.4682 4.6838 4.6838 4.7635 4.7635 10.8365 10.8365 11.5037 11.5037 11.6789 11.6789 11.9418 11.9418 11.9562 11.9562 k = 0.0000 0.1707-0.0000 ( 4179 PWs) bands (ev): -33.2152 -33.2152 -33.1960 -33.1960 -16.8324 -16.8324 -16.1592 -16.1592 -14.4338 -14.4338 -14.3510 -14.3510 -14.0676 -14.0676 -14.0534 -14.0534 -14.0393 -14.0393 -13.7491 -13.7491 -8.1699 -8.1699 -7.6281 -7.6281 1.3702 1.3702 1.4643 1.4643 1.4895 1.4895 1.9709 1.9709 2.6635 2.6635 2.7520 2.7520 3.3234 3.3234 3.5096 3.5096 3.7624 3.7624 4.4374 4.4374 4.6719 4.6719 4.7595 4.7595 10.8955 10.8955 11.5184 11.5184 11.7311 11.7311 11.9318 11.9318 11.9784 11.9784 k = 0.0000 0.1829-0.0000 ( 4171 PWs) bands (ev): -33.2147 -33.2147 -33.1959 -33.1959 -16.8288 -16.8288 -16.1739 -16.1739 -14.4339 -14.4339 -14.3485 -14.3485 -14.0701 -14.0701 -14.0485 -14.0485 -14.0390 -14.0390 -13.7467 -13.7467 -8.1595 -8.1595 -7.6285 -7.6285 1.3695 1.3695 1.4750 1.4750 1.5004 1.5004 1.9643 1.9643 2.6451 2.6451 2.7327 2.7327 3.3297 3.3297 3.4900 3.4900 3.7704 3.7704 4.4077 4.4077 4.6593 4.6593 4.7554 4.7554 10.9573 10.9573 11.5334 11.5334 11.7648 11.7648 11.9381 11.9381 12.0023 12.0023 k = 0.0000 0.1951-0.0000 ( 4163 PWs) bands (ev): -33.2142 -33.2142 -33.1959 -33.1959 -16.8249 -16.8249 -16.1893 -16.1893 -14.4339 -14.4339 -14.3463 -14.3463 -14.0725 -14.0725 -14.0445 -14.0445 -14.0374 -14.0374 -13.7446 -13.7446 -8.1485 -8.1485 -7.6290 -7.6290 1.3689 1.3689 1.4863 1.4863 1.5121 1.5121 1.9568 1.9568 2.6270 2.6270 2.7124 2.7124 3.3334 3.3334 3.4706 3.4706 3.7790 3.7790 4.3799 4.3799 4.6460 4.6460 4.7510 4.7510 11.0214 11.0214 11.5484 11.5484 11.7722 11.7722 11.9672 11.9672 12.0275 12.0275 k = 0.0000 0.2073-0.0000 ( 4161 PWs) bands (ev): -33.2136 -33.2136 -33.1959 -33.1959 -16.8208 -16.8208 -16.2051 -16.2051 -14.4336 -14.4336 -14.3444 -14.3444 -14.0747 -14.0747 -14.0429 -14.0429 -14.0332 -14.0332 -13.7428 -13.7428 -8.1370 -8.1370 -7.6299 -7.6299 1.3684 1.3684 1.4982 1.4982 1.5246 1.5246 1.9481 1.9481 2.6091 2.6091 2.6912 2.6912 3.3343 3.3343 3.4513 3.4513 3.7882 3.7882 4.3546 4.3546 4.6319 4.6319 4.7462 4.7462 11.0877 11.0877 11.5634 11.5634 11.7610 11.7610 12.0096 12.0096 12.0537 12.0537 k = 0.0000 0.2195-0.0000 ( 4165 PWs) bands (ev): -33.2131 -33.2131 -33.1959 -33.1959 -16.8163 -16.8163 -16.2215 -16.2215 -14.4332 -14.4332 -14.3428 -14.3428 -14.0767 -14.0767 -14.0426 -14.0426 -14.0273 -14.0273 -13.7413 -13.7413 -8.1249 -8.1249 -7.6310 -7.6310 1.3681 1.3681 1.5108 1.5108 1.5380 1.5380 1.9384 1.9384 2.5914 2.5914 2.6692 2.6692 3.3323 3.3323 3.4324 3.4324 3.7981 3.7981 4.3323 4.3323 4.6171 4.6171 4.7411 4.7411 11.1558 11.1558 11.5781 11.5781 11.7414 11.7414 12.0529 12.0529 12.0811 12.0811 k = 0.0000 0.2317-0.0000 ( 4153 PWs) bands (ev): -33.2125 -33.2125 -33.1958 -33.1958 -16.8115 -16.8115 -16.2383 -16.2383 -14.4325 -14.4325 -14.3415 -14.3415 -14.0784 -14.0784 -14.0428 -14.0428 -14.0206 -14.0206 -13.7402 -13.7402 -8.1123 -8.1123 -7.6324 -7.6324 1.3680 1.3680 1.5240 1.5240 1.5522 1.5522 1.9276 1.9276 2.5737 2.5737 2.6464 2.6464 3.3275 3.3275 3.4139 3.4139 3.8085 3.8085 4.3134 4.3134 4.6016 4.6016 4.7355 4.7355 11.2254 11.2254 11.5924 11.5924 11.7183 11.7183 12.0903 12.0903 12.1095 12.1095 k = 0.0000 0.2439-0.0000 ( 4161 PWs) bands (ev): -33.2119 -33.2119 -33.1958 -33.1958 -16.8064 -16.8064 -16.2554 -16.2554 -14.4317 -14.4317 -14.3406 -14.3406 -14.0800 -14.0800 -14.0432 -14.0432 -14.0134 -14.0134 -13.7395 -13.7395 -8.0993 -8.0993 -7.6342 -7.6342 1.3681 1.3681 1.5378 1.5378 1.5673 1.5673 1.9156 1.9156 2.5559 2.5559 2.6229 2.6229 3.3200 3.3200 3.3959 3.3959 3.8195 3.8195 4.2982 4.2982 4.5856 4.5856 4.7294 4.7294 11.2961 11.2961 11.6060 11.6060 11.6940 11.6940 12.1189 12.1189 12.1383 12.1384 k = 0.0000 0.2561-0.0000 ( 4153 PWs) bands (ev): -33.2113 -33.2113 -33.1958 -33.1958 -16.8010 -16.8010 -16.2728 -16.2728 -14.4307 -14.4307 -14.3399 -14.3399 -14.0813 -14.0813 -14.0437 -14.0437 -14.0059 -14.0059 -13.7392 -13.7392 -8.0858 -8.0858 -7.6364 -7.6364 1.3685 1.3685 1.5523 1.5523 1.5831 1.5831 1.9026 1.9026 2.5378 2.5378 2.5989 2.5989 3.3100 3.3100 3.3784 3.3784 3.8311 3.8311 4.2868 4.2868 4.5689 4.5689 4.7228 4.7228 11.3674 11.3674 11.6185 11.6185 11.6695 11.6695 12.1352 12.1352 12.1441 12.1441 k = 0.0000 0.2683-0.0000 ( 4151 PWs) bands (ev): -33.2107 -33.2107 -33.1958 -33.1958 -16.7952 -16.7952 -16.2904 -16.2904 -14.4295 -14.4295 -14.3397 -14.3397 -14.0824 -14.0824 -14.0443 -14.0443 -13.9980 -13.9980 -13.7393 -13.7393 -8.0719 -8.0719 -7.6389 -7.6389 1.3692 1.3692 1.5675 1.5675 1.5998 1.5998 1.8885 1.8885 2.5191 2.5191 2.5743 2.5743 3.2981 3.2981 3.3615 3.3615 3.8433 3.8433 4.2791 4.2791 4.5517 4.5517 4.7158 4.7158 11.4389 11.4389 11.6288 11.6288 11.6461 11.6461 12.0915 12.0915 12.1500 12.1500 k = 0.0000 0.2805-0.0000 ( 4143 PWs) bands (ev): -33.2101 -33.2101 -33.1959 -33.1959 -16.7891 -16.7891 -16.3082 -16.3082 -14.4281 -14.4281 -14.3397 -14.3397 -14.0832 -14.0832 -14.0451 -14.0451 -13.9898 -13.9898 -13.7398 -13.7398 -8.0577 -8.0577 -7.6419 -7.6419 1.3704 1.3704 1.5833 1.5833 1.6172 1.6172 1.8733 1.8733 2.4997 2.4997 2.5493 2.5493 3.2845 3.2845 3.3452 3.3452 3.8560 3.8560 4.2750 4.2750 4.5341 4.5341 4.7082 4.7082 11.5098 11.5098 11.6193 11.6193 11.6415 11.6415 12.0468 12.0468 12.1534 12.1534 k = 0.0000 0.2927-0.0000 ( 4146 PWs) bands (ev): -33.2095 -33.2095 -33.1959 -33.1959 -16.7826 -16.7826 -16.3262 -16.3262 -14.4265 -14.4265 -14.3401 -14.3401 -14.0838 -14.0838 -14.0459 -14.0459 -13.9815 -13.9815 -13.7409 -13.7409 -8.0432 -8.0432 -7.6454 -7.6454 1.3720 1.3720 1.5999 1.5999 1.6354 1.6354 1.8572 1.8572 2.4794 2.4794 2.5239 2.5239 3.2699 3.2699 3.3296 3.3296 3.8693 3.8693 4.2741 4.2741 4.5160 4.5160 4.7001 4.7001 11.5790 11.5790 11.5970 11.5970 11.6481 11.6481 12.0080 12.0080 12.1509 12.1509 k = 0.0000 0.3049-0.0000 ( 4150 PWs) bands (ev): -33.2088 -33.2088 -33.1960 -33.1960 -16.7757 -16.7757 -16.3442 -16.3442 -14.4248 -14.4248 -14.3407 -14.3407 -14.0842 -14.0842 -14.0468 -14.0468 -13.9728 -13.9728 -13.7424 -13.7424 -8.0284 -8.0284 -7.6494 -7.6494 1.3741 1.3741 1.6172 1.6172 1.6543 1.6543 1.8403 1.8403 2.4578 2.4578 2.4983 2.4983 3.2546 3.2546 3.3148 3.3148 3.8831 3.8831 4.2762 4.2762 4.4975 4.4975 4.6915 4.6915 11.5750 11.5750 11.6430 11.6430 11.6538 11.6538 11.9776 11.9776 12.1437 12.1437 k = 0.0000 0.3171-0.0000 ( 4146 PWs) bands (ev): -33.2082 -33.2082 -33.1961 -33.1961 -16.7685 -16.7685 -16.3622 -16.3622 -14.4228 -14.4228 -14.3417 -14.3417 -14.0844 -14.0844 -14.0478 -14.0478 -13.9640 -13.9640 -13.7443 -13.7443 -8.0133 -8.0133 -7.6538 -7.6538 1.3769 1.3769 1.6353 1.6353 1.6738 1.6738 1.8227 1.8227 2.4350 2.4350 2.4725 2.4725 3.2394 3.2394 3.3008 3.3008 3.8975 3.8975 4.2810 4.2810 4.4787 4.4787 4.6824 4.6824 11.5540 11.5540 11.6508 11.6508 11.7044 11.7044 11.9603 11.9603 12.1329 12.1329 k = 0.0000 0.3293-0.0000 ( 4150 PWs) bands (ev): -33.2076 -33.2076 -33.1961 -33.1961 -16.7608 -16.7608 -16.3802 -16.3802 -14.4207 -14.4207 -14.3429 -14.3429 -14.0844 -14.0844 -14.0489 -14.0489 -13.9549 -13.9549 -13.7468 -13.7468 -7.9980 -7.9980 -7.6588 -7.6588 1.3804 1.3804 1.6540 1.6540 1.6940 1.6940 1.8045 1.8045 2.4109 2.4109 2.4464 2.4464 3.2246 3.2246 3.2876 3.2876 3.9125 3.9125 4.2878 4.2878 4.4597 4.4597 4.6728 4.6728 11.5341 11.5341 11.6450 11.6450 11.7504 11.7504 11.9625 11.9625 12.1194 12.1194 k = 0.0000 0.3415-0.0000 ( 4156 PWs) bands (ev): -33.2069 -33.2069 -33.1963 -33.1963 -16.7528 -16.7528 -16.3981 -16.3981 -14.4185 -14.4185 -14.3444 -14.3444 -14.0842 -14.0842 -14.0501 -14.0501 -13.9458 -13.9458 -13.7497 -13.7497 -7.9826 -7.9826 -7.6644 -7.6644 1.3845 1.3845 1.6732 1.6732 1.7147 1.7147 1.7862 1.7862 2.3855 2.3855 2.4199 2.4199 3.2107 3.2107 3.2751 3.2751 3.9279 3.9279 4.2965 4.2965 4.4406 4.4406 4.6628 4.6628 11.5154 11.5154 11.6331 11.6331 11.7794 11.7794 11.9891 11.9891 12.1040 12.1040 k = 0.0000 0.3537-0.0000 ( 4162 PWs) bands (ev): -33.2063 -33.2063 -33.1964 -33.1964 -16.7443 -16.7443 -16.4159 -16.4159 -14.4161 -14.4161 -14.3462 -14.3462 -14.0838 -14.0838 -14.0514 -14.0514 -13.9365 -13.9365 -13.7531 -13.7531 -7.9671 -7.9671 -7.6705 -7.6705 1.3895 1.3895 1.6925 1.6925 1.7352 1.7352 1.7689 1.7689 2.3591 2.3591 2.3929 2.3929 3.1980 3.1980 3.2633 3.2633 3.9439 3.9439 4.3064 4.3064 4.4216 4.4216 4.6522 4.6522 11.4980 11.4980 11.6160 11.6160 11.7949 11.7949 12.0355 12.0355 12.0875 12.0875 k = 0.0000 0.3659-0.0000 ( 4166 PWs) bands (ev): -33.2057 -33.2057 -33.1966 -33.1966 -16.7354 -16.7354 -16.4336 -16.4336 -14.4136 -14.4136 -14.3481 -14.3481 -14.0833 -14.0833 -14.0527 -14.0527 -13.9271 -13.9271 -13.7570 -13.7570 -7.9516 -7.9516 -7.6773 -7.6773 1.3954 1.3954 1.7096 1.7096 1.7463 1.7463 1.7644 1.7644 2.3318 2.3318 2.3653 2.3653 3.1868 3.1868 3.2522 3.2522 3.9603 3.9603 4.3168 4.3168 4.4032 4.4032 4.6413 4.6413 11.4819 11.4819 11.5952 11.5952 11.8044 11.8044 12.0692 12.0692 12.0935 12.0935 k = 0.0000 0.3780-0.0000 ( 4162 PWs) bands (ev): -33.2051 -33.2051 -33.1967 -33.1967 -16.7261 -16.7261 -16.4510 -16.4510 -14.4109 -14.4109 -14.3503 -14.3503 -14.0826 -14.0826 -14.0541 -14.0541 -13.9177 -13.9177 -13.7613 -13.7613 -7.9360 -7.9360 -7.6846 -7.6846 1.4022 1.4022 1.7118 1.7118 1.7493 1.7493 1.7840 1.7840 2.3037 2.3037 2.3370 2.3370 3.1773 3.1773 3.2416 3.2416 3.9772 3.9772 4.3261 4.3261 4.3868 4.3868 4.6298 4.6298 11.4673 11.4673 11.5725 11.5725 11.8121 11.8121 12.0518 12.0518 12.1548 12.1548 k = 0.0000 0.3902-0.0000 ( 4162 PWs) bands (ev): -33.2045 -33.2045 -33.1969 -33.1969 -16.7164 -16.7164 -16.4683 -16.4683 -14.4081 -14.4081 -14.3526 -14.3526 -14.0817 -14.0817 -14.0555 -14.0555 -13.9082 -13.9082 -13.7661 -13.7661 -7.9204 -7.9204 -7.6924 -7.6924 1.4099 1.4099 1.6968 1.6968 1.7674 1.7674 1.8070 1.8070 2.2751 2.2751 2.3082 2.3082 3.1695 3.1695 3.2317 3.2317 3.9946 3.9946 4.3300 4.3300 4.3765 4.3765 4.6179 4.6179 11.4540 11.4540 11.5493 11.5493 11.8195 11.8195 12.0341 12.0341 12.2164 12.2165 k = 0.0000 0.4024-0.0000 ( 4162 PWs) bands (ev): -33.2039 -33.2039 -33.1972 -33.1972 -16.7062 -16.7062 -16.4852 -16.4852 -14.4052 -14.4052 -14.3551 -14.3551 -14.0808 -14.0808 -14.0570 -14.0570 -13.8988 -13.8988 -13.7713 -13.7713 -7.9049 -7.9049 -7.7009 -7.7009 1.4186 1.4186 1.6778 1.6778 1.7899 1.7899 1.8309 1.8309 2.2461 2.2461 2.2788 2.2788 3.1634 3.1634 3.2222 3.2222 4.0124 4.0124 4.3224 4.3224 4.3782 4.3782 4.6056 4.6056 11.4424 11.4424 11.5267 11.5267 11.8271 11.8271 12.0166 12.0166 12.2387 12.2387 k = 0.0000 0.4146-0.0000 ( 4166 PWs) bands (ev): -33.2033 -33.2033 -33.1974 -33.1974 -16.6956 -16.6956 -16.5019 -16.5019 -14.4022 -14.4022 -14.3578 -14.3578 -14.0797 -14.0797 -14.0585 -14.0585 -13.8894 -13.8894 -13.7770 -13.7770 -7.8896 -7.8896 -7.7100 -7.7100 1.4284 1.4284 1.6579 1.6579 1.8141 1.8141 1.8554 1.8554 2.2166 2.2166 2.2491 2.2491 3.1590 3.1590 3.2133 3.2133 4.0306 4.0306 4.3067 4.3067 4.3884 4.3884 4.5929 4.5929 11.4324 11.4324 11.5055 11.5055 11.8351 11.8351 11.9996 11.9996 12.2504 12.2504 k = 0.0000 0.4268-0.0000 ( 4160 PWs) bands (ev): -33.2028 -33.2028 -33.1977 -33.1977 -16.6846 -16.6846 -16.5183 -16.5183 -14.3991 -14.3991 -14.3606 -14.3606 -14.0785 -14.0785 -14.0601 -14.0601 -13.8800 -13.8800 -13.7830 -13.7830 -7.8744 -7.8744 -7.7197 -7.7197 1.4392 1.4392 1.6378 1.6378 1.8393 1.8393 1.8806 1.8806 2.1869 2.1869 2.2191 2.2191 3.1562 3.1562 3.2049 3.2049 4.0491 4.0491 4.2880 4.2880 4.4019 4.4019 4.5798 4.5798 11.4241 11.4241 11.4859 11.4859 11.8433 11.8433 11.9832 11.9832 12.2632 12.2632 k = 0.0000 0.4390-0.0000 ( 4164 PWs) bands (ev): -33.2022 -33.2022 -33.1980 -33.1980 -16.6731 -16.6731 -16.5344 -16.5344 -14.3959 -14.3959 -14.3636 -14.3636 -14.0772 -14.0772 -14.0617 -14.0617 -13.8708 -13.8708 -13.7895 -13.7895 -7.8594 -7.8594 -7.7299 -7.7299 1.4510 1.4510 1.6179 1.6179 1.8654 1.8654 1.9063 1.9063 2.1569 2.1569 2.1891 2.1891 3.1548 3.1548 3.1970 3.1970 4.0680 4.0680 4.2683 4.2683 4.4165 4.4165 4.5663 4.5663 11.4176 11.4176 11.4684 11.4684 11.8519 11.8519 11.9676 11.9676 12.2772 12.2772 k = 0.0000 0.4512-0.0000 ( 4164 PWs) bands (ev): -33.2017 -33.2017 -33.1983 -33.1983 -16.6612 -16.6612 -16.5501 -16.5501 -14.3927 -14.3927 -14.3666 -14.3666 -14.0758 -14.0758 -14.0633 -14.0633 -13.8616 -13.8616 -13.7963 -13.7963 -7.8447 -7.8447 -7.7408 -7.7408 1.4638 1.4638 1.5982 1.5982 1.8924 1.8924 1.9325 1.9325 2.1269 2.1269 2.1593 2.1593 3.1549 3.1549 3.1897 3.1897 4.0872 4.0872 4.2481 4.2481 4.4317 4.4317 4.5524 4.5524 11.4129 11.4129 11.4530 11.4530 11.8609 11.8609 11.9527 11.9527 12.2924 12.2924 k = 0.0000 0.4634-0.0000 ( 4170 PWs) bands (ev): -33.2012 -33.2012 -33.1986 -33.1986 -16.6488 -16.6488 -16.5654 -16.5654 -14.3894 -14.3894 -14.3697 -14.3697 -14.0744 -14.0744 -14.0650 -14.0650 -13.8527 -13.8527 -13.8035 -13.8035 -7.8303 -7.8303 -7.7521 -7.7521 1.4776 1.4776 1.5789 1.5789 1.9200 1.9200 1.9592 1.9592 2.0967 2.0967 2.1296 2.1296 3.1561 3.1561 3.1828 3.1828 4.1067 4.1067 4.2278 4.2278 4.4472 4.4472 4.5381 4.5381 11.4102 11.4102 11.4399 11.4399 11.8702 11.8702 11.9387 11.9387 12.3088 12.3088 k = 0.0000 0.4756-0.0000 ( 4170 PWs) bands (ev): -33.2007 -33.2007 -33.1990 -33.1990 -16.6360 -16.6360 -16.5804 -16.5804 -14.3861 -14.3861 -14.3729 -14.3729 -14.0729 -14.0729 -14.0666 -14.0666 -13.8439 -13.8439 -13.8110 -13.8110 -7.8162 -7.8162 -7.7640 -7.7640 1.4924 1.4924 1.5602 1.5602 1.9483 1.9483 1.9863 1.9863 2.0667 2.0667 2.1003 2.1003 3.1584 3.1584 3.1765 3.1765 4.1265 4.1265 4.2074 4.2074 4.4627 4.4627 4.5236 4.5236 11.4096 11.4096 11.4292 11.4292 11.8800 11.8800 11.9255 11.9255 12.3264 12.3264 k = 0.0000 0.4878-0.0000 ( 4162 PWs) bands (ev): -33.2003 -33.2003 -33.1994 -33.1994 -16.6227 -16.6227 -16.5949 -16.5949 -14.3828 -14.3828 -14.3762 -14.3762 -14.0714 -14.0714 -14.0682 -14.0682 -13.8353 -13.8353 -13.8188 -13.8188 -7.8025 -7.8025 -7.7764 -7.7764 1.5081 1.5081 1.5421 1.5421 1.9770 1.9770 2.0132 2.0132 2.0375 2.0375 2.0714 2.0714 3.1618 3.1618 3.1709 3.1709 4.1465 4.1465 4.1870 4.1870 4.4782 4.4782 4.5087 4.5087 11.4111 11.4111 11.4209 11.4209 11.8904 11.8904 11.9131 11.9131 12.3450 12.3451 k = 0.0000 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6090 -16.6090 -16.6090 -16.6090 -14.3795 -14.3795 -14.3795 -14.3795 -14.0698 -14.0698 -14.0698 -14.0698 -13.8269 -13.8269 -13.8269 -13.8269 -7.7892 -7.7892 -7.7892 -7.7892 1.5247 1.5247 1.5247 1.5247 2.0060 2.0060 2.0060 2.0060 2.0432 2.0432 2.0432 2.0432 3.1659 3.1659 3.1659 3.1659 4.1666 4.1666 4.1666 4.1666 4.4936 4.4936 4.4936 4.4936 11.4149 11.4149 11.4149 11.4149 11.9014 11.9014 11.9014 11.9014 12.3647 12.3647 k = 0.0000 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6090 -16.6090 -16.6090 -16.6090 -14.3795 -14.3795 -14.3795 -14.3795 -14.0698 -14.0698 -14.0698 -14.0698 -13.8269 -13.8269 -13.8269 -13.8269 -7.7892 -7.7892 -7.7892 -7.7892 1.5247 1.5247 1.5247 1.5247 2.0060 2.0060 2.0060 2.0060 2.0432 2.0432 2.0432 2.0432 3.1659 3.1659 3.1659 3.1659 4.1666 4.1666 4.1666 4.1666 4.4936 4.4936 4.4936 4.4936 11.4149 11.4149 11.4149 11.4149 11.9014 11.9014 11.9014 11.9014 12.3647 12.3647 k = 0.0122 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6096 -16.6096 -16.6087 -16.6087 -14.3827 -14.3827 -14.3763 -14.3763 -14.0706 -14.0706 -14.0693 -14.0693 -13.8302 -13.8302 -13.8232 -13.8232 -7.7892 -7.7892 -7.7892 -7.7892 1.5249 1.5249 1.5256 1.5256 1.9778 1.9778 1.9874 1.9874 2.0625 2.0625 2.0711 2.0711 3.1636 3.1636 3.1660 3.1660 4.1608 4.1608 4.1704 4.1704 4.4906 4.4906 4.4976 4.4976 11.4161 11.4161 11.4165 11.4165 11.9012 11.9012 11.9015 11.9015 12.3648 12.3649 k = 0.0244 0.5000-0.0000 ( 4176 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6104 -16.6104 -16.6086 -16.6086 -14.3861 -14.3861 -14.3732 -14.3732 -14.0716 -14.0716 -14.0691 -14.0691 -13.8329 -13.8329 -13.8189 -13.8189 -7.7890 -7.7890 -7.7890 -7.7890 1.5262 1.5262 1.5275 1.5275 1.9415 1.9415 1.9525 1.9525 2.0986 2.0986 2.1076 2.1076 3.1592 3.1592 3.1639 3.1639 4.1529 4.1529 4.1718 4.1718 4.4887 4.4887 4.5026 4.5026 11.4202 11.4202 11.4210 11.4210 11.9009 11.9009 11.9015 11.9015 12.3653 12.3655 k = 0.0366 0.5000-0.0000 ( 4180 PWs) bands (ev): -33.1997 -33.1997 -33.1997 -33.1997 -16.6115 -16.6115 -16.6088 -16.6088 -14.3895 -14.3895 -14.3703 -14.3703 -14.0728 -14.0728 -14.0692 -14.0692 -13.8349 -13.8349 -13.8143 -13.8143 -7.7888 -7.7888 -7.7888 -7.7888 1.5285 1.5285 1.5306 1.5306 1.9047 1.9047 1.9165 1.9165 2.1364 2.1364 2.1452 2.1452 3.1526 3.1526 3.1596 3.1596 4.1433 4.1433 4.1709 4.1709 4.4881 4.4881 4.5082 4.5082 11.4270 11.4270 11.4283 11.4283 11.9006 11.9006 11.9015 11.9015 12.3662 12.3663 k = 0.0488 0.5000-0.0000 ( 4182 PWs) bands (ev): -33.1996 -33.1996 -33.1996 -33.1996 -16.6128 -16.6128 -16.6092 -16.6092 -14.3930 -14.3930 -14.3675 -14.3675 -14.0741 -14.0741 -14.0696 -14.0696 -13.8363 -13.8363 -13.8093 -13.8093 -7.7885 -7.7885 -7.7884 -7.7884 1.5317 1.5317 1.5346 1.5346 1.8682 1.8682 1.8809 1.8809 2.1745 2.1745 2.1830 2.1830 3.1439 3.1439 3.1531 3.1531 4.1324 4.1324 4.1678 4.1678 4.4886 4.4886 4.5142 4.5142 11.4366 11.4366 11.4383 11.4383 11.9003 11.9003 11.9016 11.9016 12.3675 12.3676 k = 0.0610 0.5000-0.0000 ( 4190 PWs) bands (ev): -33.1995 -33.1995 -33.1995 -33.1995 -16.6143 -16.6143 -16.6098 -16.6098 -14.3964 -14.3964 -14.3648 -14.3648 -14.0755 -14.0755 -14.0704 -14.0704 -13.8371 -13.8371 -13.8041 -13.8041 -7.7880 -7.7880 -7.7880 -7.7880 1.5355 1.5355 1.5394 1.5394 1.8324 1.8324 1.8462 1.8462 2.2126 2.2126 2.2208 2.2208 3.1331 3.1331 3.1445 3.1445 4.1203 4.1203 4.1626 4.1626 4.4901 4.4901 4.5203 4.5203 11.4488 11.4488 11.4509 11.4509 11.9000 11.9000 11.9017 11.9017 12.3693 12.3695 k = 0.0732 0.5000-0.0000 ( 4186 PWs) bands (ev): -33.1994 -33.1994 -33.1994 -33.1994 -16.6161 -16.6161 -16.6107 -16.6107 -14.3998 -14.3998 -14.3623 -14.3623 -14.0770 -14.0770 -14.0714 -14.0714 -13.8372 -13.8372 -13.7986 -13.7986 -7.7875 -7.7875 -7.7875 -7.7875 1.5397 1.5397 1.5449 1.5449 1.7977 1.7977 1.8129 1.8129 2.2505 2.2505 2.2584 2.2584 3.1204 3.1204 3.1337 3.1337 4.1075 4.1075 4.1557 4.1557 4.4922 4.4922 4.5264 4.5264 11.4633 11.4633 11.4658 11.4658 11.9000 11.9000 11.9019 11.9019 12.3718 12.3720 k = 0.0854 0.5000-0.0000 ( 4186 PWs) bands (ev): -33.1993 -33.1993 -33.1993 -33.1993 -16.6180 -16.6180 -16.6119 -16.6119 -14.4032 -14.4032 -14.3600 -14.3600 -14.0785 -14.0785 -14.0728 -14.0728 -13.8367 -13.8367 -13.7929 -13.7929 -7.7869 -7.7869 -7.7869 -7.7869 1.5436 1.5436 1.5505 1.5505 1.7646 1.7646 1.7814 1.7814 2.2882 2.2882 2.2959 2.2959 3.1058 3.1058 3.1208 3.1208 4.0942 4.0942 4.1474 4.1474 4.4947 4.4947 4.5320 4.5320 11.4800 11.4800 11.4829 11.4829 11.9002 11.9002 11.9024 11.9024 12.3746 12.3754 k = 0.0976 0.5000-0.0000 ( 4170 PWs) bands (ev): -33.1991 -33.1991 -33.1991 -33.1991 -16.6201 -16.6201 -16.6133 -16.6133 -14.4065 -14.4065 -14.3579 -14.3579 -14.0800 -14.0800 -14.0745 -14.0745 -13.8356 -13.8356 -13.7871 -13.7871 -7.7862 -7.7862 -7.7862 -7.7862 1.5464 1.5464 1.5553 1.5553 1.7339 1.7339 1.7529 1.7529 2.3255 2.3255 2.3329 2.3329 3.0893 3.0893 3.1060 3.1060 4.0805 4.0805 4.1379 4.1379 4.4975 4.4975 4.5372 4.5372 11.4987 11.4987 11.5019 11.5019 11.9008 11.9008 11.9034 11.9034 12.3784 12.3786 k = 0.1098 0.5000-0.0000 ( 4164 PWs) bands (ev): -33.1990 -33.1990 -33.1990 -33.1990 -16.6224 -16.6224 -16.6149 -16.6149 -14.4097 -14.4097 -14.3559 -14.3559 -14.0815 -14.0815 -14.0764 -14.0764 -13.8338 -13.8338 -13.7812 -13.7812 -7.7854 -7.7854 -7.7854 -7.7854 1.5468 1.5468 1.5580 1.5580 1.7072 1.7072 1.7285 1.7285 2.3624 2.3624 2.3696 2.3696 3.0711 3.0711 3.0892 3.0892 4.0668 4.0668 4.1276 4.1276 4.5001 4.5001 4.5417 4.5417 11.5191 11.5191 11.5226 11.5226 11.9018 11.9018 11.9047 11.9047 12.3830 12.3830 k = 0.1220 0.5000-0.0000 ( 4164 PWs) bands (ev): -33.1988 -33.1988 -33.1988 -33.1988 -16.6249 -16.6249 -16.6167 -16.6167 -14.4128 -14.4128 -14.3542 -14.3542 -14.0830 -14.0830 -14.0786 -14.0786 -13.8316 -13.8316 -13.7753 -13.7753 -7.7846 -7.7846 -7.7846 -7.7846 1.5431 1.5431 1.5561 1.5561 1.6869 1.6869 1.7101 1.7101 2.3988 2.3988 2.4057 2.4057 3.0513 3.0513 3.0706 3.0706 4.0532 4.0532 4.1167 4.1167 4.5023 4.5023 4.5454 4.5454 11.5409 11.5409 11.5447 11.5447 11.9034 11.9034 11.9066 11.9066 12.3886 12.3887 k = 0.1341 0.5000-0.0000 ( 4166 PWs) bands (ev): -33.1986 -33.1986 -33.1986 -33.1986 -16.6276 -16.6276 -16.6187 -16.6187 -14.4157 -14.4157 -14.3527 -14.3527 -14.0844 -14.0844 -14.0809 -14.0809 -13.8288 -13.8288 -13.7695 -13.7695 -7.7837 -7.7837 -7.7836 -7.7836 1.5335 1.5335 1.5467 1.5467 1.6759 1.6759 1.6993 1.6993 2.4347 2.4347 2.4413 2.4413 3.0300 3.0300 3.0504 3.0504 4.0399 4.0399 4.1054 4.1054 4.5040 4.5040 4.5482 4.5482 11.5638 11.5638 11.5679 11.5679 11.9058 11.9058 11.9092 11.9092 12.3953 12.3965 k = 0.1463 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1983 -33.1983 -33.1983 -33.1983 -16.6304 -16.6304 -16.6210 -16.6210 -14.4186 -14.4186 -14.3515 -14.3515 -14.0858 -14.0858 -14.0834 -14.0834 -13.8256 -13.8256 -13.7638 -13.7638 -7.7827 -7.7827 -7.7827 -7.7827 1.5179 1.5179 1.5295 1.5295 1.6744 1.6744 1.6963 1.6963 2.4698 2.4698 2.4762 2.4762 3.0074 3.0074 3.0286 3.0286 4.0269 4.0269 4.0941 4.0941 4.5051 4.5051 4.5499 4.5499 11.5875 11.5875 11.5918 11.5918 11.9090 11.9090 11.9127 11.9127 12.4034 12.4036 k = 0.1585 0.5000-0.0000 ( 4160 PWs) bands (ev): -33.1981 -33.1981 -33.1981 -33.1981 -16.6333 -16.6333 -16.6234 -16.6234 -14.4212 -14.4212 -14.3504 -14.3504 -14.0871 -14.0871 -14.0859 -14.0859 -13.8220 -13.8220 -13.7581 -13.7581 -7.7816 -7.7816 -7.7816 -7.7816 1.4975 1.4975 1.5068 1.5068 1.6804 1.6804 1.7000 1.7000 2.5043 2.5043 2.5104 2.5104 2.9837 2.9837 3.0056 3.0056 4.0145 4.0145 4.0827 4.0827 4.5052 4.5052 4.5506 4.5506 11.6117 11.6117 11.6163 11.6163 11.9134 11.9134 11.9172 11.9172 12.4131 12.4148 k = 0.1707 0.5000-0.0000 ( 4156 PWs) bands (ev): -33.1978 -33.1978 -33.1978 -33.1978 -16.6363 -16.6363 -16.6260 -16.6260 -14.4236 -14.4236 -14.3496 -14.3496 -14.0884 -14.0884 -14.0883 -14.0883 -13.8180 -13.8180 -13.7526 -13.7526 -7.7805 -7.7805 -7.7805 -7.7805 1.4739 1.4739 1.4810 1.4810 1.6911 1.6911 1.7085 1.7085 2.5380 2.5380 2.5438 2.5438 2.9589 2.9589 2.9813 2.9813 4.0026 4.0026 4.0716 4.0716 4.5045 4.5045 4.5501 4.5501 11.6361 11.6361 11.6409 11.6409 11.9189 11.9189 11.9229 11.9229 12.4242 12.4249 k = 0.1829 0.5000-0.0000 ( 4156 PWs) bands (ev): -33.1976 -33.1976 -33.1976 -33.1976 -16.6394 -16.6394 -16.6287 -16.6287 -14.4258 -14.4258 -14.3490 -14.3490 -14.0910 -14.0910 -14.0895 -14.0895 -13.8138 -13.8138 -13.7472 -13.7472 -7.7794 -7.7794 -7.7794 -7.7794 1.4486 1.4486 1.4540 1.4540 1.7048 1.7048 1.7205 1.7205 2.5709 2.5709 2.5762 2.5762 2.9333 2.9333 2.9562 2.9562 3.9914 3.9914 4.0607 4.0607 4.5027 4.5027 4.5484 4.5484 11.6603 11.6603 11.6653 11.6653 11.9260 11.9260 11.9301 11.9301 12.4369 12.4378 k = 0.1951 0.5000-0.0000 ( 4162 PWs) bands (ev): -33.1973 -33.1973 -33.1973 -33.1973 -16.6426 -16.6426 -16.6316 -16.6316 -14.4279 -14.4279 -14.3486 -14.3486 -14.0935 -14.0935 -14.0905 -14.0905 -13.8094 -13.8094 -13.7421 -13.7421 -7.7782 -7.7782 -7.7782 -7.7782 1.4225 1.4225 1.4265 1.4265 1.7205 1.7205 1.7348 1.7348 2.6028 2.6028 2.6077 2.6077 2.9071 2.9071 2.9303 2.9303 3.9809 3.9809 4.0502 4.0502 4.4998 4.4998 4.5455 4.5455 11.6840 11.6840 11.6892 11.6892 11.9348 11.9348 11.9389 11.9389 12.4512 12.4522 k = 0.2073 0.5000-0.0000 ( 4162 PWs) bands (ev): -33.1970 -33.1970 -33.1970 -33.1970 -16.6459 -16.6459 -16.6347 -16.6347 -14.4296 -14.4296 -14.3485 -14.3485 -14.0959 -14.0959 -14.0916 -14.0916 -13.8047 -13.8047 -13.7371 -13.7371 -7.7770 -7.7770 -7.7769 -7.7769 1.3964 1.3964 1.3993 1.3993 1.7377 1.7377 1.7509 1.7509 2.6336 2.6336 2.6380 2.6380 2.8806 2.8806 2.9041 2.9041 3.9711 3.9711 4.0402 4.0402 4.4958 4.4958 4.5414 4.5414 11.7069 11.7069 11.7123 11.7123 11.9457 11.9457 11.9497 11.9497 12.4673 12.4673 k = 0.2195 0.5000-0.0000 ( 4162 PWs) bands (ev): -33.1968 -33.1968 -33.1968 -33.1968 -16.6492 -16.6492 -16.6378 -16.6378 -14.4311 -14.4311 -14.3487 -14.3487 -14.0982 -14.0982 -14.0925 -14.0925 -13.7999 -13.7999 -13.7324 -13.7324 -7.7757 -7.7757 -7.7757 -7.7757 1.3704 1.3704 1.3726 1.3726 1.7558 1.7558 1.7682 1.7682 2.6633 2.6633 2.6670 2.6670 2.8540 2.8540 2.8779 2.8779 3.9620 3.9620 4.0308 4.0308 4.4906 4.4906 4.5361 4.5361 11.7286 11.7286 11.7343 11.7343 11.9589 11.9589 11.9627 11.9627 12.4848 12.4848 k = 0.2317 0.5000-0.0000 ( 4162 PWs) bands (ev): -33.1965 -33.1965 -33.1965 -33.1965 -16.6525 -16.6525 -16.6410 -16.6410 -14.4324 -14.4324 -14.3490 -14.3490 -14.1004 -14.1004 -14.0934 -14.0934 -13.7950 -13.7950 -13.7280 -13.7280 -7.7745 -7.7745 -7.7744 -7.7744 1.3450 1.3450 1.3465 1.3465 1.7748 1.7748 1.7864 1.7864 2.6913 2.6913 2.6940 2.6940 2.8280 2.8280 2.8523 2.8523 3.9538 3.9538 4.0219 4.0219 4.4843 4.4843 4.5295 4.5295 11.7490 11.7490 11.7549 11.7549 11.9745 11.9745 11.9781 11.9781 12.5040 12.5060 k = 0.2439 0.5000-0.0000 ( 4162 PWs) bands (ev): -33.1962 -33.1962 -33.1962 -33.1962 -16.6558 -16.6558 -16.6443 -16.6443 -14.4334 -14.4334 -14.3496 -14.3496 -14.1023 -14.1023 -14.0942 -14.0942 -13.7901 -13.7901 -13.7239 -13.7239 -7.7732 -7.7732 -7.7731 -7.7731 1.3203 1.3203 1.3213 1.3213 1.7943 1.7943 1.8053 1.8053 2.7166 2.7166 2.7179 2.7179 2.8037 2.8037 2.8289 2.8289 3.9463 3.9463 4.0136 4.0136 4.4769 4.4769 4.5218 4.5218 11.7679 11.7679 11.7739 11.7739 11.9928 11.9928 11.9960 11.9960 12.5244 12.5281 k = 0.2561 0.5000-0.0000 ( 4162 PWs) bands (ev): -33.1959 -33.1959 -33.1959 -33.1959 -16.6591 -16.6591 -16.6476 -16.6476 -14.4341 -14.4341 -14.3504 -14.3504 -14.1041 -14.1041 -14.0950 -14.0950 -13.7851 -13.7851 -13.7200 -13.7200 -7.7719 -7.7719 -7.7719 -7.7719 1.2964 1.2964 1.2970 1.2970 1.8141 1.8141 1.8246 1.8246 2.7341 2.7341 2.7348 2.7348 2.7865 2.7865 2.8116 2.8116 3.9397 3.9397 4.0061 4.0061 4.4684 4.4684 4.5129 4.5129 11.7853 11.7853 11.7915 11.7915 12.0137 12.0137 12.0165 12.0165 12.5461 12.5498 k = 0.2683 0.5000-0.0000 ( 4164 PWs) bands (ev): -33.1956 -33.1956 -33.1956 -33.1956 -16.6624 -16.6624 -16.6510 -16.6510 -14.4345 -14.4345 -14.3515 -14.3515 -14.1058 -14.1058 -14.0957 -14.0957 -13.7801 -13.7801 -13.7164 -13.7164 -7.7706 -7.7706 -7.7706 -7.7706 1.2734 1.2734 1.2737 1.2737 1.8340 1.8340 1.8441 1.8441 2.7295 2.7295 2.7360 2.7360 2.7907 2.7907 2.8093 2.8093 3.9339 3.9339 3.9992 3.9992 4.4588 4.4588 4.5029 4.5029 11.8012 11.8012 11.8076 11.8076 12.0371 12.0371 12.0395 12.0395 12.5687 12.5730 k = 0.2805 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1953 -33.1953 -33.1953 -33.1953 -16.6656 -16.6656 -16.6544 -16.6544 -14.4347 -14.4347 -14.3528 -14.3528 -14.1072 -14.1072 -14.0964 -14.0964 -13.7751 -13.7751 -13.7132 -13.7132 -7.7693 -7.7693 -7.7693 -7.7693 1.2514 1.2514 1.2514 1.2514 1.8540 1.8540 1.8637 1.8637 2.7097 2.7097 2.7211 2.7211 2.8097 2.8097 2.8225 2.8225 3.9289 3.9289 3.9930 3.9930 4.4482 4.4482 4.4918 4.4918 11.8160 11.8160 11.8225 11.8225 12.0627 12.0627 12.0647 12.0647 12.5921 12.5921 k = 0.2927 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1950 -33.1950 -33.1950 -33.1950 -16.6687 -16.6687 -16.6577 -16.6577 -14.4345 -14.4345 -14.3542 -14.3542 -14.1084 -14.1084 -14.0970 -14.0970 -13.7702 -13.7702 -13.7102 -13.7102 -7.7681 -7.7681 -7.7680 -7.7680 1.2302 1.2302 1.2304 1.2304 1.8738 1.8738 1.8831 1.8831 2.6867 2.6867 2.7001 2.7001 2.8315 2.8315 2.8415 2.8415 3.9247 3.9247 3.9875 3.9875 4.4367 4.4367 4.4798 4.4798 11.8298 11.8298 11.8363 11.8363 12.0903 12.0903 12.0919 12.0919 12.6185 12.6208 k = 0.3049 0.5000-0.0000 ( 4172 PWs) bands (ev): -33.1948 -33.1948 -33.1948 -33.1948 -16.6718 -16.6718 -16.6611 -16.6611 -14.4342 -14.4342 -14.3559 -14.3559 -14.1095 -14.1095 -14.0976 -14.0976 -13.7653 -13.7653 -13.7076 -13.7076 -7.7668 -7.7668 -7.7668 -7.7668 1.2101 1.2101 1.2104 1.2104 1.8932 1.8932 1.9021 1.9021 2.6636 2.6636 2.6776 2.6776 2.8532 2.8532 2.8617 2.8617 3.9214 3.9214 3.9828 3.9828 4.4244 4.4244 4.4670 4.4670 11.8428 11.8428 11.8492 11.8492 12.1196 12.1196 12.1208 12.1208 12.6408 12.6408 k = 0.3171 0.5000-0.0000 ( 4176 PWs) bands (ev): -33.1945 -33.1945 -33.1945 -33.1945 -16.6747 -16.6747 -16.6644 -16.6644 -14.4335 -14.4335 -14.3578 -14.3578 -14.1104 -14.1104 -14.0982 -14.0982 -13.7606 -13.7606 -13.7053 -13.7053 -7.7656 -7.7656 -7.7656 -7.7656 1.1912 1.1912 1.1916 1.1916 1.9120 1.9120 1.9206 1.9206 2.6413 2.6413 2.6553 2.6553 2.8741 2.8741 2.8816 2.8816 3.9190 3.9190 3.9788 3.9788 4.4114 4.4114 4.4533 4.4533 11.8552 11.8552 11.8616 11.8616 12.1502 12.1502 12.1510 12.1510 12.6657 12.6657 k = 0.3293 0.5000-0.0000 ( 4176 PWs) bands (ev): -33.1942 -33.1942 -33.1942 -33.1942 -16.6775 -16.6775 -16.6676 -16.6676 -14.4326 -14.4326 -14.3598 -14.3598 -14.1110 -14.1110 -14.0988 -14.0988 -13.7559 -13.7559 -13.7033 -13.7033 -7.7645 -7.7645 -7.7645 -7.7645 1.1734 1.1734 1.1739 1.1739 1.9302 1.9302 1.9384 1.9384 2.6201 2.6201 2.6337 2.6337 2.8940 2.8940 2.9008 2.9008 3.9174 3.9174 3.9755 3.9755 4.3978 4.3978 4.4390 4.4390 11.8671 11.8671 11.8734 11.8734 12.1817 12.1817 12.1822 12.1822 12.6906 12.6927 k = 0.3415 0.5000-0.0000 ( 4172 PWs) bands (ev): -33.1940 -33.1940 -33.1940 -33.1940 -16.6801 -16.6801 -16.6707 -16.6707 -14.4314 -14.4314 -14.3620 -14.3620 -14.1115 -14.1115 -14.0994 -14.0994 -13.7513 -13.7513 -13.7016 -13.7016 -7.7634 -7.7634 -7.7633 -7.7633 1.1568 1.1568 1.1574 1.1574 1.9475 1.9475 1.9553 1.9553 2.6002 2.6002 2.6133 2.6133 2.9128 2.9128 2.9190 2.9190 3.9167 3.9167 3.9729 3.9729 4.3838 4.3838 4.4241 4.4241 11.8787 11.8787 11.8848 11.8848 12.2139 12.2139 12.2141 12.2141 12.7156 12.7164 k = 0.3537 0.5000-0.0000 ( 4164 PWs) bands (ev): -33.1938 -33.1938 -33.1938 -33.1938 -16.6826 -16.6826 -16.6737 -16.6737 -14.4300 -14.4300 -14.3643 -14.3643 -14.1118 -14.1118 -14.1000 -14.1000 -13.7469 -13.7469 -13.7002 -13.7002 -7.7623 -7.7623 -7.7623 -7.7623 1.1415 1.1415 1.1420 1.1420 1.9638 1.9638 1.9712 1.9712 2.5818 2.5818 2.5943 2.5943 2.9304 2.9304 2.9360 2.9360 3.9168 3.9168 3.9710 3.9710 4.3695 4.3695 4.4088 4.4088 11.8899 11.8899 11.8957 11.8957 12.2463 12.2463 12.2465 12.2465 12.7403 12.7403 k = 0.3659 0.5000-0.0000 ( 4160 PWs) bands (ev): -33.1935 -33.1935 -33.1935 -33.1935 -16.6849 -16.6849 -16.6766 -16.6766 -14.4284 -14.4284 -14.3668 -14.3668 -14.1120 -14.1120 -14.1005 -14.1005 -13.7426 -13.7426 -13.6992 -13.6992 -7.7613 -7.7613 -7.7613 -7.7613 1.1273 1.1273 1.1279 1.1279 1.9790 1.9790 1.9859 1.9859 2.5651 2.5651 2.5769 2.5769 2.9467 2.9467 2.9519 2.9519 3.9178 3.9178 3.9697 3.9697 4.3552 4.3552 4.3933 4.3933 11.9008 11.9008 11.9063 11.9063 12.2786 12.2786 12.2790 12.2790 12.7646 12.7680 k = 0.3780 0.5000-0.0000 ( 4164 PWs) bands (ev): -33.1933 -33.1933 -33.1933 -33.1933 -16.6870 -16.6870 -16.6793 -16.6793 -14.4265 -14.4265 -14.3694 -14.3694 -14.1120 -14.1120 -14.1011 -14.1011 -13.7384 -13.7384 -13.6985 -13.6985 -7.7604 -7.7604 -7.7604 -7.7604 1.1143 1.1143 1.1149 1.1149 1.9929 1.9929 1.9994 1.9994 2.5500 2.5500 2.5610 2.5610 2.9617 2.9617 2.9664 2.9664 3.9195 3.9195 3.9689 3.9689 4.3409 4.3409 4.3776 4.3776 11.9112 11.9112 11.9164 11.9164 12.3105 12.3105 12.3110 12.3110 12.7882 12.7905 k = 0.3902 0.5000-0.0000 ( 4160 PWs) bands (ev): -33.1931 -33.1931 -33.1931 -33.1931 -16.6890 -16.6890 -16.6819 -16.6819 -14.4245 -14.4245 -14.3721 -14.3721 -14.1119 -14.1119 -14.1017 -14.1017 -13.7344 -13.7344 -13.6981 -13.6981 -7.7595 -7.7595 -7.7595 -7.7595 1.1026 1.1026 1.1031 1.1031 2.0055 2.0055 2.0114 2.0114 2.5368 2.5368 2.5469 2.5469 2.9754 2.9754 2.9797 2.9797 3.9220 3.9220 3.9686 3.9686 4.3271 4.3271 4.3621 4.3621 11.9212 11.9212 11.9260 11.9260 12.3416 12.3416 12.3423 12.3423 12.8112 12.8152 k = 0.4024 0.5000-0.0000 ( 4156 PWs) bands (ev): -33.1930 -33.1930 -33.1930 -33.1930 -16.6907 -16.6907 -16.6843 -16.6843 -14.4222 -14.4222 -14.3750 -14.3750 -14.1117 -14.1117 -14.1023 -14.1023 -13.7306 -13.7306 -13.6979 -13.6979 -7.7587 -7.7587 -7.7587 -7.7587 1.0921 1.0921 1.0926 1.0926 2.0166 2.0166 2.0220 2.0220 2.5253 2.5253 2.5344 2.5344 2.9878 2.9878 2.9916 2.9916 3.9252 3.9252 3.9686 3.9686 4.3139 4.3139 4.3469 4.3469 11.9306 11.9306 11.9349 11.9349 12.3715 12.3715 12.3723 12.3723 12.8333 12.8343 k = 0.4146 0.5000-0.0000 ( 4160 PWs) bands (ev): -33.1928 -33.1928 -33.1928 -33.1928 -16.6922 -16.6922 -16.6865 -16.6865 -14.4198 -14.4198 -14.3779 -14.3779 -14.1114 -14.1114 -14.1029 -14.1029 -13.7269 -13.7269 -13.6981 -13.6981 -7.7580 -7.7580 -7.7580 -7.7580 1.0828 1.0828 1.0833 1.0833 2.0264 2.0264 2.0312 2.0312 2.5156 2.5156 2.5237 2.5237 2.9988 2.9988 3.0021 3.0021 3.9290 3.9290 3.9688 3.9688 4.3016 4.3016 4.3322 4.3322 11.9393 11.9393 11.9432 11.9432 12.3997 12.3997 12.4005 12.4005 12.8543 12.8545 k = 0.4268 0.5000-0.0000 ( 4156 PWs) bands (ev): -33.1927 -33.1927 -33.1927 -33.1927 -16.6934 -16.6934 -16.6885 -16.6885 -14.4173 -14.4173 -14.3809 -14.3809 -14.1110 -14.1110 -14.1036 -14.1036 -13.7235 -13.7235 -13.6985 -13.6985 -7.7574 -7.7574 -7.7574 -7.7574 1.0748 1.0748 1.0752 1.0752 2.0347 2.0347 2.0389 2.0389 2.5076 2.5076 2.5146 2.5146 3.0084 3.0084 3.0112 3.0112 3.9333 3.9333 3.9690 3.9690 4.2905 4.2905 4.3183 4.3183 11.9472 11.9472 11.9506 11.9506 12.4257 12.4257 12.4265 12.4265 12.8740 12.8749 k = 0.4390 0.5000-0.0000 ( 4156 PWs) bands (ev): -33.1925 -33.1925 -33.1925 -33.1925 -16.6944 -16.6944 -16.6903 -16.6903 -14.4146 -14.4146 -14.3840 -14.3840 -14.1106 -14.1106 -14.1042 -14.1042 -13.7202 -13.7202 -13.6993 -13.6993 -7.7568 -7.7568 -7.7568 -7.7568 1.0680 1.0680 1.0683 1.0683 2.0417 2.0417 2.0452 2.0452 2.5012 2.5012 2.5071 2.5071 3.0166 3.0166 3.0190 3.0190 3.9380 3.9380 3.9690 3.9690 4.2809 4.2809 4.3053 4.3053 11.9542 11.9542 11.9571 11.9571 12.4490 12.4490 12.4497 12.4497 12.8922 12.8936 k = 0.4512 0.5000-0.0000 ( 4152 PWs) bands (ev): -33.1924 -33.1924 -33.1924 -33.1924 -16.6951 -16.6951 -16.6918 -16.6918 -14.4118 -14.4118 -14.3871 -14.3871 -14.1100 -14.1100 -14.1049 -14.1049 -13.7171 -13.7171 -13.7003 -13.7003 -7.7564 -7.7564 -7.7564 -7.7564 1.0624 1.0624 1.0627 1.0627 2.0473 2.0473 2.0501 2.0501 2.4962 2.4962 2.5010 2.5010 3.0234 3.0234 3.0253 3.0253 3.9429 3.9429 3.9687 3.9687 4.2732 4.2732 4.2937 4.2937 11.9601 11.9601 11.9624 11.9624 12.4691 12.4691 12.4697 12.4697 12.9090 12.9094 k = 0.4634 0.5000-0.0000 ( 4156 PWs) bands (ev): -33.1924 -33.1924 -33.1924 -33.1924 -16.6956 -16.6956 -16.6931 -16.6931 -14.4089 -14.4089 -14.3902 -14.3902 -14.1095 -14.1095 -14.1055 -14.1055 -13.7142 -13.7142 -13.7015 -13.7015 -7.7561 -7.7561 -7.7561 -7.7561 1.0581 1.0581 1.0583 1.0583 2.0516 2.0516 2.0538 2.0538 2.4927 2.4927 2.4963 2.4963 3.0287 3.0287 3.0301 3.0301 3.9478 3.9478 3.9678 3.9678 4.2676 4.2676 4.2835 4.2835 11.9649 11.9649 11.9667 11.9667 12.4854 12.4854 12.4859 12.4859 12.9236 12.9239 k = 0.4756 0.5000-0.0000 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6959 -16.6959 -16.6942 -16.6942 -14.4058 -14.4058 -14.3934 -14.3934 -14.1088 -14.1088 -14.1062 -14.1062 -13.7115 -13.7115 -13.7030 -13.7030 -7.7558 -7.7558 -7.7558 -7.7558 1.0550 1.0550 1.0552 1.0552 2.0548 2.0548 2.0562 2.0562 2.4905 2.4905 2.4929 2.4929 3.0326 3.0326 3.0335 3.0335 3.9526 3.9526 3.9662 3.9662 4.2642 4.2642 4.2752 4.2752 11.9685 11.9685 11.9697 11.9697 12.4975 12.4975 12.4978 12.4978 12.9365 12.9408 k = 0.4878 0.5000-0.0000 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6958 -16.6958 -16.6950 -16.6950 -14.4028 -14.4028 -14.3965 -14.3965 -14.1082 -14.1082 -14.1069 -14.1069 -13.7091 -13.7091 -13.7048 -13.7048 -7.7557 -7.7557 -7.7557 -7.7557 1.0532 1.0532 1.0533 1.0533 2.0568 2.0568 2.0575 2.0575 2.4894 2.4894 2.4906 2.4906 3.0350 3.0350 3.0355 3.0355 3.9569 3.9569 3.9638 3.9638 4.2633 4.2633 4.2689 4.2689 11.9708 11.9708 11.9714 11.9714 12.5049 12.5049 12.5051 12.5051 12.9466 12.9480 k = 0.5000 0.5000-0.0000 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3997 -14.3997 -14.3997 -14.3997 -14.1075 -14.1075 -14.1075 -14.1075 -13.7068 -13.7068 -13.7068 -13.7068 -7.7556 -7.7556 -7.7556 -7.7556 1.0526 1.0526 1.0526 1.0526 2.0577 2.0577 2.0577 2.0577 2.4894 2.4894 2.4894 2.4894 3.0360 3.0360 3.0360 3.0360 3.9607 3.9607 3.9607 3.9607 4.2649 4.2649 4.2649 4.2649 11.9717 11.9717 11.9717 11.9717 12.5075 12.5075 12.5075 12.5075 12.9525 12.9526 k = 0.5000 0.5000-0.0000 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3997 -14.3997 -14.3997 -14.3997 -14.1075 -14.1075 -14.1075 -14.1075 -13.7068 -13.7068 -13.7068 -13.7068 -7.7556 -7.7556 -7.7556 -7.7556 1.0526 1.0526 1.0526 1.0526 2.0577 2.0577 2.0577 2.0577 2.4894 2.4894 2.4894 2.4894 3.0360 3.0360 3.0360 3.0360 3.9607 3.9607 3.9607 3.9607 4.2649 4.2649 4.2649 4.2649 11.9717 11.9717 11.9717 11.9717 12.5075 12.5075 12.5075 12.5075 12.9525 12.9525 k = 0.4914 0.4914-0.0000 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6959 -16.6959 -16.6949 -16.6949 -14.4028 -14.4028 -14.3965 -14.3965 -14.1082 -14.1082 -14.1069 -14.1069 -13.7091 -13.7091 -13.7048 -13.7048 -7.7559 -7.7559 -7.7554 -7.7554 1.0528 1.0528 1.0537 1.0537 2.0566 2.0566 2.0577 2.0577 2.4894 2.4894 2.4906 2.4906 3.0345 3.0345 3.0360 3.0360 3.9568 3.9568 3.9640 3.9640 4.2632 4.2632 4.2690 4.2690 11.9707 11.9707 11.9714 11.9714 12.5020 12.5020 12.5080 12.5080 12.9449 12.9477 k = 0.4828 0.4828-0.0000 ( 4146 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6963 -16.6963 -16.6937 -16.6937 -14.4059 -14.4059 -14.3934 -14.3934 -14.1089 -14.1089 -14.1062 -14.1062 -13.7115 -13.7115 -13.7030 -13.7030 -7.7569 -7.7569 -7.7548 -7.7548 1.0532 1.0532 1.0570 1.0570 2.0538 2.0538 2.0572 2.0572 2.4904 2.4904 2.4929 2.4929 3.0303 3.0303 3.0358 3.0358 3.9515 3.9515 3.9673 3.9673 4.2633 4.2633 4.2760 4.2760 11.9682 11.9682 11.9700 11.9700 12.4862 12.4862 12.5095 12.5095 12.9286 12.9286 k = 0.4741 0.4741-0.0000 ( 4144 PWs) bands (ev): -33.1924 -33.1924 -33.1923 -33.1923 -16.6970 -16.6970 -16.6918 -16.6918 -14.4089 -14.4089 -14.3902 -14.3902 -14.1095 -14.1095 -14.1054 -14.1054 -13.7143 -13.7143 -13.7014 -13.7014 -7.7584 -7.7584 -7.7537 -7.7537 1.0540 1.0540 1.0625 1.0625 2.0491 2.0491 2.0565 2.0565 2.4923 2.4923 2.4965 2.4965 3.0233 3.0233 3.0355 3.0355 3.9446 3.9446 3.9713 3.9713 4.2648 4.2648 4.2860 4.2860 11.9640 11.9640 11.9676 11.9676 12.4610 12.4610 12.5120 12.5120 12.9090 12.9090 k = 0.4655 0.4655-0.0000 ( 4156 PWs) bands (ev): -33.1926 -33.1926 -33.1923 -33.1923 -16.6979 -16.6979 -16.6891 -16.6891 -14.4119 -14.4119 -14.3870 -14.3870 -14.1102 -14.1102 -14.1047 -14.1047 -13.7173 -13.7173 -13.7000 -13.7000 -7.7606 -7.7606 -7.7522 -7.7522 1.0550 1.0550 1.0701 1.0701 2.0427 2.0427 2.0555 2.0555 2.4953 2.4953 2.5013 2.5013 3.0136 3.0136 3.0351 3.0351 3.9363 3.9363 3.9761 3.9761 4.2673 4.2673 4.2987 4.2987 11.9583 11.9583 11.9641 11.9641 12.4281 12.4281 12.5154 12.5154 12.8870 12.8870 k = 0.4569 0.4569-0.0000 ( 4148 PWs) bands (ev): -33.1927 -33.1927 -33.1923 -33.1923 -16.6990 -16.6990 -16.6856 -16.6856 -14.4148 -14.4148 -14.3838 -14.3838 -14.1109 -14.1109 -14.1039 -14.1039 -13.7207 -13.7207 -13.6987 -13.6987 -7.7634 -7.7634 -7.7504 -7.7504 1.0563 1.0563 1.0799 1.0799 2.0344 2.0344 2.0542 2.0542 2.4993 2.4993 2.5074 2.5074 3.0012 3.0012 3.0346 3.0346 3.9270 3.9270 3.9819 3.9819 4.2708 4.2708 4.3137 4.3137 11.9513 11.9513 11.9598 11.9598 12.3894 12.3894 12.5198 12.5198 12.8635 12.8635 k = 0.4483 0.4483-0.0000 ( 4152 PWs) bands (ev): -33.1930 -33.1930 -33.1924 -33.1924 -16.7003 -16.7003 -16.6814 -16.6814 -14.4177 -14.4177 -14.3805 -14.3805 -14.1116 -14.1116 -14.1031 -14.1031 -13.7243 -13.7243 -13.6976 -13.6976 -7.7668 -7.7668 -7.7481 -7.7481 1.0579 1.0579 1.0919 1.0919 2.0244 2.0244 2.0526 2.0526 2.5044 2.5044 2.5148 2.5148 2.9861 2.9861 3.0339 3.0339 3.9170 3.9170 3.9886 3.9886 4.2751 4.2751 4.3306 4.3306 11.9429 11.9429 11.9545 11.9545 12.3462 12.3462 12.5249 12.5249 12.8388 12.8388 k = 0.4397 0.4397-0.0000 ( 4156 PWs) bands (ev): -33.1932 -33.1932 -33.1924 -33.1924 -16.7019 -16.7019 -16.6765 -16.6765 -14.4205 -14.4205 -14.3773 -14.3773 -14.1123 -14.1123 -14.1022 -14.1022 -13.7283 -13.7283 -13.6966 -13.6966 -7.7709 -7.7709 -7.7455 -7.7455 1.0598 1.0598 1.1059 1.1059 2.0128 2.0128 2.0508 2.0508 2.5106 2.5106 2.5235 2.5235 2.9684 2.9684 3.0332 3.0332 3.9067 3.9067 3.9961 3.9961 4.2802 4.2802 4.3489 4.3489 11.9335 11.9335 11.9483 11.9483 12.3001 12.3001 12.5309 12.5309 12.8133 12.8133 k = 0.4310 0.4310-0.0000 ( 4156 PWs) bands (ev): -33.1935 -33.1935 -33.1924 -33.1924 -16.7037 -16.7037 -16.6708 -16.6708 -14.4232 -14.4232 -14.3741 -14.3741 -14.1130 -14.1130 -14.1012 -14.1012 -13.7326 -13.7326 -13.6957 -13.6957 -7.7755 -7.7755 -7.7425 -7.7425 1.0621 1.0621 1.1220 1.1220 1.9996 1.9996 2.0487 2.0487 2.5179 2.5179 2.5334 2.5334 2.9483 2.9483 3.0323 3.0323 3.8964 3.8964 4.0043 4.0043 4.2861 4.2861 4.3682 4.3682 11.9232 11.9232 11.9412 11.9412 12.2523 12.2523 12.5375 12.5375 12.7875 12.7875 k = 0.4224 0.4224-0.0000 ( 4160 PWs) bands (ev): -33.1938 -33.1938 -33.1925 -33.1925 -16.7057 -16.7057 -16.6644 -16.6644 -14.4259 -14.4259 -14.3710 -14.3710 -14.1138 -14.1138 -14.1002 -14.1002 -13.7373 -13.7373 -13.6950 -13.6950 -7.7808 -7.7808 -7.7392 -7.7392 1.0647 1.0647 1.1401 1.1401 1.9849 1.9849 2.0465 2.0465 2.5266 2.5266 2.5447 2.5447 2.9257 2.9257 3.0313 3.0313 3.8863 3.8863 4.0130 4.0130 4.2928 4.2928 4.3883 4.3883 11.9122 11.9122 11.9332 11.9332 12.2038 12.2038 12.5447 12.5447 12.7614 12.7614 k = 0.4138 0.4138-0.0000 ( 4156 PWs) bands (ev): -33.1942 -33.1942 -33.1925 -33.1925 -16.7080 -16.7080 -16.6572 -16.6572 -14.4284 -14.4284 -14.3678 -14.3678 -14.1145 -14.1145 -14.0991 -14.0991 -13.7423 -13.7423 -13.6943 -13.6943 -7.7866 -7.7866 -7.7356 -7.7356 1.0676 1.0676 1.1603 1.1603 1.9688 1.9688 2.0440 2.0440 2.5365 2.5365 2.5572 2.5572 2.9009 2.9009 3.0302 3.0302 3.8767 3.8767 4.0222 4.0222 4.3001 4.3001 4.4088 4.4088 11.9009 11.9009 11.9246 11.9246 12.1555 12.1555 12.5523 12.5523 12.7353 12.7353 k = 0.4052 0.4052-0.0000 ( 4164 PWs) bands (ev): -33.1945 -33.1945 -33.1926 -33.1926 -16.7104 -16.7104 -16.6494 -16.6494 -14.4309 -14.4309 -14.3647 -14.3647 -14.1153 -14.1153 -14.0980 -14.0980 -13.7477 -13.7477 -13.6937 -13.6937 -7.7930 -7.7930 -7.7317 -7.7317 1.0708 1.0708 1.1824 1.1824 1.9515 1.9515 2.0414 2.0414 2.5479 2.5479 2.5710 2.5710 2.8738 2.8738 3.0289 3.0289 3.8677 3.8677 4.0316 4.0316 4.3082 4.3082 4.4296 4.4296 11.8892 11.8892 11.9151 11.9151 12.1083 12.1083 12.5599 12.5599 12.7093 12.7093 k = 0.3966 0.3966-0.0000 ( 4176 PWs) bands (ev): -33.1950 -33.1950 -33.1927 -33.1927 -16.7131 -16.7131 -16.6409 -16.6409 -14.4333 -14.4333 -14.3617 -14.3617 -14.1160 -14.1160 -14.0968 -14.0968 -13.7535 -13.7535 -13.6933 -13.6933 -7.8000 -7.8000 -7.7276 -7.7276 1.0744 1.0744 1.2064 1.2064 1.9330 1.9330 2.0386 2.0386 2.5607 2.5607 2.5860 2.5860 2.8447 2.8447 3.0275 3.0275 3.8594 3.8594 4.0410 4.0410 4.3168 4.3168 4.4503 4.4503 11.8776 11.8776 11.9050 11.9050 12.0626 12.0626 12.5676 12.5676 12.6833 12.6833 k = 0.3879 0.3879-0.0000 ( 4172 PWs) bands (ev): -33.1954 -33.1954 -33.1927 -33.1927 -16.7159 -16.7159 -16.6317 -16.6317 -14.4356 -14.4356 -14.3586 -14.3586 -14.1167 -14.1167 -14.0956 -14.0956 -13.7596 -13.7596 -13.6929 -13.6929 -7.8076 -7.8076 -7.7232 -7.7232 1.0784 1.0784 1.2322 1.2322 1.9134 1.9134 2.0357 2.0357 2.5751 2.5751 2.6021 2.6021 2.8138 2.8138 3.0259 3.0259 3.8517 3.8517 4.0503 4.0503 4.3261 4.3261 4.4709 4.4709 11.8663 11.8663 11.8942 11.8942 12.0192 12.0192 12.5748 12.5748 12.6578 12.6578 k = 0.3793 0.3793-0.0000 ( 4168 PWs) bands (ev): -33.1959 -33.1959 -33.1928 -33.1928 -16.7189 -16.7189 -16.6218 -16.6218 -14.4378 -14.4378 -14.3557 -14.3557 -14.1174 -14.1174 -14.0943 -14.0943 -13.7660 -13.7660 -13.6925 -13.6925 -7.8156 -7.8156 -7.7187 -7.7187 1.0827 1.0827 1.2599 1.2599 1.8929 1.8929 2.0327 2.0327 2.5911 2.5911 2.6193 2.6193 2.7811 2.7811 3.0243 3.0243 3.8449 3.8449 4.0594 4.0594 4.3359 4.3359 4.4912 4.4912 11.8554 11.8554 11.8829 11.8829 11.9782 11.9782 12.5811 12.5811 12.6325 12.6325 k = 0.3707 0.3707-0.0000 ( 4166 PWs) bands (ev): -33.1964 -33.1964 -33.1929 -33.1929 -16.7220 -16.7220 -16.6112 -16.6112 -14.4399 -14.4399 -14.3528 -14.3528 -14.1180 -14.1180 -14.0929 -14.0929 -13.7729 -13.7729 -13.6923 -13.6923 -7.8243 -7.8243 -7.7140 -7.7140 1.0874 1.0874 1.2893 1.2893 1.8716 1.8716 2.0297 2.0297 2.6087 2.6087 2.6374 2.6374 2.7472 2.7472 3.0224 3.0224 3.8388 3.8388 4.0681 4.0681 4.3463 4.3463 4.5111 4.5111 11.8453 11.8453 11.8710 11.8710 11.9402 11.9402 12.5859 12.5859 12.6075 12.6075 k = 0.3621 0.3621-0.0000 ( 4166 PWs) bands (ev): -33.1969 -33.1969 -33.1930 -33.1930 -16.7254 -16.7254 -16.6001 -16.6001 -14.4418 -14.4418 -14.3500 -14.3500 -14.1186 -14.1186 -14.0915 -14.0915 -13.7800 -13.7800 -13.6921 -13.6921 -7.8334 -7.8334 -7.7092 -7.7092 1.0924 1.0924 1.3203 1.3203 1.8497 1.8497 2.0266 2.0266 2.6279 2.6279 2.6550 2.6550 2.7135 2.7135 3.0205 3.0205 3.8334 3.8334 4.0762 4.0762 4.3572 4.3572 4.5306 4.5306 11.8359 11.8359 11.8587 11.8587 11.9053 11.9053 12.5829 12.5829 12.5880 12.5880 k = 0.3534 0.3534-0.0000 ( 4174 PWs) bands (ev): -33.1975 -33.1975 -33.1931 -33.1931 -16.7289 -16.7289 -16.5883 -16.5883 -14.4437 -14.4437 -14.3472 -14.3472 -14.1192 -14.1192 -14.0900 -14.0900 -13.7875 -13.7875 -13.6921 -13.6921 -7.8430 -7.8430 -7.7043 -7.7043 1.0979 1.0979 1.3529 1.3529 1.8273 1.8273 2.0234 2.0234 2.6472 2.6472 2.6605 2.6605 2.6932 2.6932 3.0183 3.0183 3.8287 3.8287 4.0837 4.0837 4.3686 4.3686 4.5494 4.5494 11.8275 11.8275 11.8460 11.8460 11.8739 11.8739 12.5585 12.5585 12.5863 12.5863 k = 0.3448 0.3448-0.0000 ( 4170 PWs) bands (ev): -33.1981 -33.1981 -33.1931 -33.1931 -16.7325 -16.7325 -16.5760 -16.5760 -14.4454 -14.4454 -14.3446 -14.3446 -14.1196 -14.1196 -14.0885 -14.0885 -13.7954 -13.7954 -13.6921 -13.6921 -7.8531 -7.8531 -7.6994 -7.6994 1.1037 1.1037 1.3871 1.3871 1.8046 1.8046 2.0203 2.0203 2.6270 2.6270 2.6728 2.6728 2.7072 2.7072 3.0161 3.0161 3.8247 3.8247 4.0904 4.0904 4.3804 4.3804 4.5676 4.5676 11.8193 11.8193 11.8334 11.8334 11.8468 11.8468 12.5344 12.5344 12.5793 12.5793 k = 0.3362 0.3362-0.0000 ( 4174 PWs) bands (ev): -33.1987 -33.1987 -33.1932 -33.1932 -16.7362 -16.7362 -16.5631 -16.5631 -14.4470 -14.4470 -14.3421 -14.3421 -14.1200 -14.1200 -14.0869 -14.0869 -13.8035 -13.8035 -13.6922 -13.6922 -7.8636 -7.8636 -7.6944 -7.6944 1.1099 1.1099 1.4227 1.4227 1.7816 1.7816 2.0171 2.0171 2.5887 2.5887 2.6967 2.6967 2.7292 2.7292 3.0136 3.0136 3.8212 3.8212 4.0963 4.0963 4.3925 4.3925 4.5851 4.5851 11.8075 11.8075 11.8216 11.8216 11.8272 11.8272 12.5107 12.5107 12.5649 12.5649 k = 0.3276 0.3276-0.0000 ( 4178 PWs) bands (ev): -33.1993 -33.1993 -33.1933 -33.1933 -16.7400 -16.7400 -16.5496 -16.5496 -14.4485 -14.4485 -14.3397 -14.3397 -14.1203 -14.1203 -14.0853 -14.0853 -13.8120 -13.8120 -13.6925 -13.6925 -7.8746 -7.8746 -7.6895 -7.6895 1.1164 1.1164 1.4596 1.4596 1.7585 1.7585 2.0141 2.0141 2.5482 2.5482 2.7225 2.7225 2.7535 2.7535 3.0111 3.0111 3.8182 3.8182 4.1014 4.1014 4.4050 4.4050 4.6017 4.6017 11.7901 11.7901 11.8075 11.8075 11.8204 11.8204 12.4872 12.4872 12.5419 12.5419 k = 0.3190 0.3190-0.0000 ( 4182 PWs) bands (ev): -33.1999 -33.1999 -33.1934 -33.1934 -16.7440 -16.7440 -16.5357 -16.5357 -14.4499 -14.4499 -14.3374 -14.3374 -14.1204 -14.1204 -14.0837 -14.0837 -13.8208 -13.8208 -13.6929 -13.6929 -7.8859 -7.8859 -7.6846 -7.6846 1.1234 1.1234 1.4978 1.4978 1.7356 1.7356 2.0111 2.0111 2.5064 2.5064 2.7498 2.7498 2.7793 2.7793 3.0084 3.0084 3.8157 3.8157 4.1055 4.1055 4.4178 4.4178 4.6176 4.6176 11.7722 11.7722 11.7936 11.7936 11.8190 11.8190 12.4640 12.4640 12.5095 12.5095 k = 0.3103 0.3103-0.0000 ( 4178 PWs) bands (ev): -33.2006 -33.2006 -33.1935 -33.1935 -16.7480 -16.7480 -16.5212 -16.5212 -14.4511 -14.4511 -14.3353 -14.3353 -14.1204 -14.1204 -14.0820 -14.0820 -13.8298 -13.8298 -13.6933 -13.6933 -7.8976 -7.8976 -7.6798 -7.6798 1.1307 1.1307 1.5371 1.5371 1.7129 1.7129 2.0082 2.0082 2.4638 2.4638 2.7783 2.7783 2.8066 2.8066 3.0055 3.0055 3.8135 3.8135 4.1089 4.1089 4.4308 4.4308 4.6327 4.6327 11.7561 11.7561 11.7800 11.7800 11.8208 11.8208 12.4412 12.4412 12.4682 12.4682 k = 0.3017 0.3017-0.0000 ( 4170 PWs) bands (ev): -33.2012 -33.2012 -33.1936 -33.1936 -16.7521 -16.7521 -16.5063 -16.5063 -14.4521 -14.4521 -14.3333 -14.3333 -14.1203 -14.1203 -14.0803 -14.0803 -13.8391 -13.8391 -13.6939 -13.6939 -7.9097 -7.9097 -7.6751 -7.6751 1.1384 1.1384 1.5773 1.5773 1.6907 1.6907 2.0053 2.0053 2.4205 2.4205 2.8079 2.8079 2.8353 2.8353 3.0025 3.0025 3.8116 3.8116 4.1114 4.1114 4.4441 4.4441 4.6469 4.6469 11.7423 11.7423 11.7668 11.7668 11.8252 11.8252 12.4180 12.4180 12.4198 12.4198 k = 0.2931 0.2931-0.0000 ( 4170 PWs) bands (ev): -33.2019 -33.2019 -33.1937 -33.1937 -16.7563 -16.7563 -16.4910 -16.4910 -14.4530 -14.4530 -14.3315 -14.3315 -14.1200 -14.1200 -14.0786 -14.0786 -13.8487 -13.8487 -13.6946 -13.6946 -7.9220 -7.9220 -7.6705 -7.6705 1.1464 1.1464 1.6176 1.6176 1.6697 1.6697 2.0026 2.0026 2.3767 2.3767 2.8382 2.8382 2.8656 2.8656 2.9993 2.9993 3.8099 3.8099 4.1132 4.1132 4.4575 4.4575 4.6603 4.6603 11.7307 11.7307 11.7538 11.7538 11.8322 11.8322 12.3634 12.3634 12.3966 12.3966 k = 0.2845 0.2845-0.0000 ( 4164 PWs) bands (ev): -33.2026 -33.2026 -33.1938 -33.1938 -16.7605 -16.7605 -16.4752 -16.4752 -14.4538 -14.4538 -14.3298 -14.3298 -14.1195 -14.1195 -14.0769 -14.0769 -13.8584 -13.8584 -13.6955 -13.6955 -7.9347 -7.9347 -7.6661 -7.6661 1.1548 1.1548 1.6407 1.6407 1.6675 1.6675 2.0001 2.0001 2.3326 2.3326 2.8690 2.8690 2.8975 2.8975 2.9960 2.9960 3.8082 3.8082 4.1144 4.1144 4.4711 4.4711 4.6728 4.6728 11.7213 11.7213 11.7413 11.7413 11.8418 11.8418 12.3026 12.3026 12.3749 12.3749 k = 0.2759 0.2759-0.0000 ( 4174 PWs) bands (ev): -33.2033 -33.2033 -33.1940 -33.1940 -16.7648 -16.7648 -16.4592 -16.4592 -14.4544 -14.4544 -14.3284 -14.3284 -14.1189 -14.1189 -14.0752 -14.0752 -13.8683 -13.8683 -13.6965 -13.6965 -7.9475 -7.9475 -7.6619 -7.6619 1.1634 1.1634 1.6235 1.6235 1.7070 1.7070 1.9976 1.9976 2.2884 2.2884 2.9001 2.9001 2.9308 2.9308 2.9926 2.9926 3.8067 3.8067 4.1152 4.1152 4.4848 4.4848 4.6844 4.6844 11.7135 11.7135 11.7294 11.7294 11.8534 11.8534 12.2375 12.2375 12.3538 12.3538 k = 0.2672 0.2672-0.0000 ( 4172 PWs) bands (ev): -33.2040 -33.2040 -33.1941 -33.1941 -16.7690 -16.7690 -16.4427 -16.4427 -14.4549 -14.4549 -14.3271 -14.3271 -14.1181 -14.1181 -14.0735 -14.0735 -13.8784 -13.8784 -13.6977 -13.6977 -7.9605 -7.9605 -7.6579 -7.6579 1.1723 1.1723 1.6038 1.6038 1.7505 1.7505 1.9954 1.9954 2.2441 2.2441 2.9314 2.9314 2.9653 2.9653 2.9892 2.9892 3.8051 3.8051 4.1157 4.1157 4.4984 4.4984 4.6952 4.6952 11.7066 11.7066 11.7189 11.7189 11.8671 11.8671 12.1689 12.1689 12.3332 12.3332 k = 0.2586 0.2586-0.0000 ( 4164 PWs) bands (ev): -33.2048 -33.2048 -33.1942 -33.1942 -16.7733 -16.7733 -16.4260 -16.4260 -14.4552 -14.4552 -14.3260 -14.3260 -14.1171 -14.1171 -14.0718 -14.0718 -13.8886 -13.8886 -13.6991 -13.6991 -7.9737 -7.9737 -7.6541 -7.6541 1.1814 1.1814 1.5846 1.5846 1.7949 1.7949 1.9932 1.9932 2.2001 2.2001 2.9629 2.9629 2.9849 2.9849 3.0014 3.0014 3.8034 3.8034 4.1163 4.1163 4.5121 4.5121 4.7051 4.7051 11.6990 11.6990 11.7114 11.7114 11.8824 11.8824 12.0975 12.0975 12.3135 12.3135 k = 0.2500 0.2500-0.0000 ( 4168 PWs) bands (ev): -33.2055 -33.2055 -33.1943 -33.1943 -16.7776 -16.7776 -16.4091 -16.4091 -14.4553 -14.4553 -14.3252 -14.3252 -14.1159 -14.1159 -14.0701 -14.0701 -13.8989 -13.8989 -13.7006 -13.7006 -7.9870 -7.9870 -7.6505 -7.6505 1.1908 1.1908 1.5662 1.5662 1.8400 1.8400 1.9911 1.9911 2.1563 2.1563 2.9811 2.9811 2.9948 2.9948 3.0372 3.0372 3.8015 3.8015 4.1172 4.1172 4.5258 4.5258 4.7141 4.7141 11.6895 11.6895 11.7076 11.7076 11.8986 11.8986 12.0238 12.0238 12.2947 12.2947 k = 0.2414 0.2414-0.0000 ( 4174 PWs) bands (ev): -33.2062 -33.2062 -33.1944 -33.1944 -16.7819 -16.7819 -16.3920 -16.3920 -14.4553 -14.4553 -14.3246 -14.3246 -14.1145 -14.1145 -14.0684 -14.0684 -13.9093 -13.9093 -13.7024 -13.7024 -8.0004 -8.0004 -7.6472 -7.6472 1.2003 1.2003 1.5487 1.5487 1.8855 1.8855 1.9890 1.9890 2.1131 2.1131 2.9772 2.9772 3.0267 3.0267 3.0732 3.0732 3.7995 3.7995 4.1188 4.1188 4.5393 4.5393 4.7224 4.7224 11.6794 11.6794 11.7064 11.7064 11.9151 11.9151 11.9483 11.9483 12.2770 12.2770 k = 0.2328 0.2328-0.0000 ( 4176 PWs) bands (ev): -33.2069 -33.2069 -33.1945 -33.1945 -16.7862 -16.7862 -16.3746 -16.3746 -14.4552 -14.4552 -14.3243 -14.3243 -14.1129 -14.1129 -14.0667 -14.0667 -13.9196 -13.9196 -13.7043 -13.7043 -8.0138 -8.0138 -7.6441 -7.6441 1.2099 1.2099 1.5321 1.5321 1.9314 1.9314 1.9865 1.9865 2.0709 2.0709 2.9732 2.9732 3.0587 3.0587 3.1089 3.1089 3.7972 3.7972 4.1215 4.1215 4.5528 4.5528 4.7299 4.7299 11.6691 11.6691 11.7069 11.7069 11.8713 11.8713 11.9315 11.9315 12.2605 12.2605 k = 0.2241 0.2241-0.0000 ( 4170 PWs) bands (ev): -33.2076 -33.2076 -33.1946 -33.1946 -16.7904 -16.7904 -16.3572 -16.3572 -14.4549 -14.4549 -14.3242 -14.3242 -14.1111 -14.1111 -14.0650 -14.0650 -13.9300 -13.9300 -13.7063 -13.7063 -8.0272 -8.0272 -7.6414 -7.6414 1.2196 1.2196 1.5167 1.5167 1.9769 1.9769 1.9828 1.9828 2.0314 2.0314 2.9691 2.9691 3.0907 3.0907 3.1438 3.1438 3.7947 3.7947 4.1256 4.1256 4.5660 4.5660 4.7366 4.7366 11.6589 11.6589 11.7086 11.7086 11.7934 11.7934 11.9467 11.9467 12.2455 12.2455 k = 0.2155 0.2155-0.0000 ( 4162 PWs) bands (ev): -33.2083 -33.2083 -33.1948 -33.1948 -16.7946 -16.7946 -16.3397 -16.3397 -14.4544 -14.4544 -14.3243 -14.3243 -14.1091 -14.1091 -14.0634 -14.0634 -13.9402 -13.9402 -13.7086 -13.7086 -8.0405 -8.0405 -7.6388 -7.6388 1.2294 1.2294 1.5023 1.5023 1.9682 1.9682 2.0018 2.0018 2.0244 2.0244 2.9649 2.9649 3.1226 3.1226 3.1773 3.1773 3.7919 3.7919 4.1318 4.1318 4.5791 4.5791 4.7426 4.7426 11.6488 11.6488 11.7109 11.7109 11.7153 11.7153 11.9602 11.9602 12.2324 12.2324 k = 0.2069 0.2069-0.0000 ( 4170 PWs) bands (ev): -33.2090 -33.2090 -33.1949 -33.1949 -16.7987 -16.7987 -16.3222 -16.3222 -14.4539 -14.4539 -14.3248 -14.3248 -14.1069 -14.1069 -14.0618 -14.0618 -13.9504 -13.9504 -13.7110 -13.7110 -8.0537 -8.0537 -7.6366 -7.6366 1.2391 1.2391 1.4891 1.4891 1.9358 1.9358 1.9925 1.9925 2.0704 2.0704 2.9606 2.9606 3.1541 3.1541 3.2091 3.2091 3.7889 3.7889 4.1403 4.1403 4.5919 4.5919 4.7478 4.7478 11.6356 11.6356 11.6391 11.6391 11.7145 11.7145 11.9713 11.9713 12.2211 12.2211 k = 0.1983 0.1983-0.0000 ( 4166 PWs) bands (ev): -33.2097 -33.2097 -33.1950 -33.1950 -16.8027 -16.8027 -16.3047 -16.3047 -14.4531 -14.4531 -14.3256 -14.3256 -14.1046 -14.1046 -14.0602 -14.0602 -13.9604 -13.9604 -13.7137 -13.7137 -8.0668 -8.0668 -7.6346 -7.6346 1.2487 1.2487 1.4771 1.4771 1.8978 1.8978 1.9898 1.9898 2.1165 2.1165 2.9563 2.9563 3.1849 3.1849 3.2390 3.2390 3.7856 3.7856 4.1517 4.1517 4.6044 4.6044 4.7525 4.7525 11.5572 11.5572 11.6283 11.6283 11.7178 11.7178 11.9800 11.9800 12.2121 12.2121 k = 0.1897 0.1897-0.0000 ( 4164 PWs) bands (ev): -33.2104 -33.2104 -33.1951 -33.1951 -16.8067 -16.8067 -16.2874 -16.2874 -14.4523 -14.4523 -14.3266 -14.3266 -14.1020 -14.1020 -14.0587 -14.0587 -13.9701 -13.9701 -13.7165 -13.7165 -8.0797 -8.0797 -7.6329 -7.6329 1.2582 1.2582 1.4662 1.4662 1.8594 1.8594 1.9885 1.9885 2.1625 2.1625 2.9519 2.9519 3.2143 3.2143 3.2670 3.2670 3.7820 3.7820 4.1663 4.1663 4.6165 4.6165 4.7565 4.7565 11.4788 11.4788 11.6177 11.6177 11.7209 11.7209 11.9863 11.9863 12.2054 12.2054 k = 0.1810 0.1810-0.0000 ( 4162 PWs) bands (ev): -33.2110 -33.2110 -33.1952 -33.1952 -16.8106 -16.8106 -16.2701 -16.2701 -14.4513 -14.4513 -14.3280 -14.3280 -14.0994 -14.0994 -14.0572 -14.0572 -13.9796 -13.9796 -13.7195 -13.7195 -8.0924 -8.0924 -7.6314 -7.6314 1.2675 1.2675 1.4565 1.4565 1.8216 1.8216 1.9879 1.9879 2.2082 2.2082 2.9476 2.9476 3.2413 3.2413 3.2935 3.2935 3.7782 3.7782 4.1844 4.1844 4.6282 4.6282 4.7600 4.7600 11.4011 11.4011 11.6066 11.6066 11.7231 11.7231 11.9906 11.9906 12.2013 12.2013 k = 0.1724 0.1724-0.0000 ( 4166 PWs) bands (ev): -33.2117 -33.2117 -33.1953 -33.1953 -16.8143 -16.8143 -16.2531 -16.2531 -14.4502 -14.4502 -14.3296 -14.3296 -14.0966 -14.0966 -14.0558 -14.0558 -13.9888 -13.9888 -13.7226 -13.7226 -8.1048 -8.1048 -7.6302 -7.6302 1.2766 1.2766 1.4480 1.4480 1.7848 1.7848 1.9877 1.9877 2.2535 2.2535 2.9432 2.9432 3.2647 3.2647 3.3194 3.3194 3.7742 3.7742 4.2061 4.2061 4.6395 4.6395 4.7631 4.7631 11.3245 11.3245 11.5951 11.5951 11.7236 11.7236 11.9937 11.9937 12.1997 12.1997 k = 0.1638 0.1638-0.0000 ( 4166 PWs) bands (ev): -33.2123 -33.2123 -33.1954 -33.1954 -16.8180 -16.8180 -16.2363 -16.2363 -14.4490 -14.4490 -14.3316 -14.3316 -14.0937 -14.0937 -14.0544 -14.0544 -13.9976 -13.9976 -13.7259 -13.7259 -8.1169 -8.1169 -7.6292 -7.6292 1.2854 1.2854 1.4406 1.4406 1.7492 1.7492 1.9877 1.9877 2.2984 2.2984 2.9389 2.9389 3.2831 3.2831 3.3459 3.3459 3.7699 3.7699 4.2314 4.2314 4.6504 4.6504 4.7657 4.7657 11.2492 11.2492 11.5830 11.5830 11.7217 11.7217 11.9961 11.9961 12.2007 12.2007 k = 0.1552 0.1552-0.0000 ( 4170 PWs) bands (ev): -33.2129 -33.2129 -33.1955 -33.1955 -16.8215 -16.8215 -16.2198 -16.2198 -14.4477 -14.4477 -14.3339 -14.3339 -14.0908 -14.0908 -14.0531 -14.0531 -14.0061 -14.0061 -13.7293 -13.7293 -8.1287 -8.1287 -7.6285 -7.6285 1.2938 1.2938 1.4344 1.4344 1.7149 1.7149 1.9879 1.9879 2.3426 2.3426 2.9345 2.9345 3.2961 3.2961 3.3733 3.3733 3.7655 3.7655 4.2601 4.2601 4.6607 4.6607 4.7679 4.7679 11.1755 11.1755 11.5704 11.5704 11.7165 11.7165 11.9987 11.9987 12.2041 12.2042 k = 0.1466 0.1466-0.0000 ( 4174 PWs) bands (ev): -33.2135 -33.2135 -33.1956 -33.1956 -16.8250 -16.8250 -16.2037 -16.2037 -14.4463 -14.4463 -14.3365 -14.3365 -14.0879 -14.0879 -14.0518 -14.0518 -14.0139 -14.0139 -13.7329 -13.7329 -8.1400 -8.1400 -7.6279 -7.6279 1.3019 1.3019 1.4291 1.4291 1.6820 1.6820 1.9883 1.9883 2.3861 2.3861 2.9303 2.9303 3.3041 3.3041 3.4012 3.4012 3.7610 3.7610 4.2917 4.2917 4.6704 4.6704 4.7699 4.7699 11.1039 11.1039 11.5572 11.5572 11.7070 11.7070 12.0017 12.0017 12.2097 12.2099 k = 0.1379 0.1379-0.0000 ( 4177 PWs) bands (ev): -33.2141 -33.2141 -33.1957 -33.1957 -16.8282 -16.8282 -16.1881 -16.1881 -14.4447 -14.4447 -14.3393 -14.3393 -14.0850 -14.0850 -14.0506 -14.0506 -14.0213 -14.0213 -13.7365 -13.7365 -8.1509 -8.1509 -7.6275 -7.6275 1.3096 1.3096 1.4249 1.4249 1.6506 1.6506 1.9889 1.9889 2.4288 2.4288 2.9262 2.9262 3.3076 3.3076 3.4291 3.4291 3.7564 3.7564 4.3258 4.3258 4.6795 4.6795 4.7718 4.7718 11.0345 11.0345 11.5437 11.5437 11.6922 11.6922 12.0050 12.0050 12.2032 12.2032 k = 0.1293 0.1293-0.0000 ( 4185 PWs) bands (ev): -33.2146 -33.2146 -33.1958 -33.1958 -16.8314 -16.8314 -16.1730 -16.1730 -14.4432 -14.4432 -14.3424 -14.3424 -14.0822 -14.0822 -14.0495 -14.0495 -14.0280 -14.0280 -13.7402 -13.7402 -8.1614 -8.1614 -7.6273 -7.6273 1.3168 1.3168 1.4214 1.4214 1.6207 1.6207 1.9896 1.9896 2.4706 2.4706 2.9221 2.9221 3.3074 3.3074 3.4567 3.4567 3.7519 3.7519 4.3619 4.3619 4.6880 4.6880 4.7735 4.7735 10.9676 10.9676 11.5298 11.5298 11.6714 11.6714 12.0073 12.0073 12.1811 12.1811 k = 0.1207 0.1207-0.0000 ( 4195 PWs) bands (ev): -33.2151 -33.2151 -33.1959 -33.1959 -16.8343 -16.8343 -16.1584 -16.1584 -14.4415 -14.4415 -14.3458 -14.3458 -14.0797 -14.0797 -14.0485 -14.0485 -14.0338 -14.0338 -13.7440 -13.7440 -8.1714 -8.1714 -7.6272 -7.6272 1.3237 1.3237 1.4188 1.4188 1.5925 1.5925 1.9903 1.9903 2.5114 2.5114 2.9182 2.9182 3.3040 3.3040 3.4835 3.4835 3.7474 3.7474 4.3990 4.3990 4.6959 4.6959 4.7753 4.7753 10.9036 10.9036 11.5158 11.5158 11.6439 11.6439 12.0052 12.0052 12.1596 12.1596 k = 0.1121 0.1121-0.0000 ( 4189 PWs) bands (ev): -33.2156 -33.2156 -33.1959 -33.1959 -16.8371 -16.8371 -16.1445 -16.1445 -14.4398 -14.4398 -14.3494 -14.3494 -14.0776 -14.0776 -14.0476 -14.0476 -14.0386 -14.0386 -13.7477 -13.7477 -8.1808 -8.1808 -7.6273 -7.6273 1.3302 1.3302 1.4168 1.4168 1.5660 1.5660 1.9912 1.9912 2.5512 2.5512 2.9145 2.9145 3.2978 3.2978 3.5093 3.5093 3.7430 3.7430 4.4367 4.4367 4.7031 4.7031 4.7772 4.7772 10.8427 10.8427 11.5019 11.5019 11.6096 11.6096 11.9936 11.9936 12.1371 12.1371 k = 0.1034 0.1034-0.0000 ( 4193 PWs) bands (ev): -33.2161 -33.2161 -33.1960 -33.1960 -16.8397 -16.8397 -16.1313 -16.1313 -14.4380 -14.4380 -14.3531 -14.3531 -14.0761 -14.0761 -14.0474 -14.0474 -14.0418 -14.0418 -13.7514 -13.7514 -8.1896 -8.1896 -7.6274 -7.6274 1.3364 1.3364 1.4153 1.4153 1.5413 1.5413 1.9921 1.9921 2.5897 2.5897 2.9110 2.9110 3.2893 3.2893 3.5337 3.5337 3.7390 3.7390 4.4740 4.4740 4.7099 4.7099 4.7793 4.7793 10.7851 10.7851 11.4881 11.4881 11.5688 11.5688 11.9705 11.9705 12.1207 12.1207 k = 0.0948 0.0948-0.0000 ( 4201 PWs) bands (ev): -33.2165 -33.2165 -33.1961 -33.1961 -16.8422 -16.8422 -16.1188 -16.1188 -14.4362 -14.4362 -14.3569 -14.3569 -14.0755 -14.0755 -14.0481 -14.0481 -14.0428 -14.0428 -13.7551 -13.7551 -8.1979 -8.1979 -7.6277 -7.6277 1.3422 1.3422 1.4141 1.4141 1.5184 1.5184 1.9930 1.9930 2.6268 2.6268 2.9077 2.9077 3.2790 3.2790 3.5566 3.5566 3.7353 3.7353 4.5102 4.5102 4.7164 4.7164 4.7816 4.7816 10.7311 10.7311 11.4747 11.4747 11.5231 11.5231 11.9422 11.9422 12.1044 12.1044 k = 0.0862 0.0862-0.0000 ( 4193 PWs) bands (ev): -33.2169 -33.2169 -33.1961 -33.1961 -16.8444 -16.8444 -16.1072 -16.1072 -14.4342 -14.4342 -14.3608 -14.3608 -14.0758 -14.0758 -14.0489 -14.0489 -14.0423 -14.0423 -13.7586 -13.7586 -8.2056 -8.2056 -7.6280 -7.6280 1.3478 1.3478 1.4131 1.4131 1.4975 1.4975 1.9939 1.9939 2.6625 2.6625 2.9047 2.9047 3.2671 3.2671 3.5778 3.5778 3.7320 3.7320 4.5443 4.5443 4.7229 4.7229 4.7841 4.7841 10.6809 10.6809 11.4618 11.4618 11.4741 11.4741 11.9150 11.9150 12.0886 12.0886 k = 0.0776 0.0776-0.0000 ( 4193 PWs) bands (ev): -33.2172 -33.2172 -33.1962 -33.1962 -16.8465 -16.8465 -16.0965 -16.0965 -14.4323 -14.4323 -14.3648 -14.3648 -14.0771 -14.0771 -14.0491 -14.0491 -14.0413 -14.0413 -13.7621 -13.7621 -8.2125 -8.2125 -7.6283 -7.6283 1.3531 1.3531 1.4121 1.4121 1.4785 1.4785 1.9948 1.9948 2.6967 2.6967 2.9020 2.9020 3.2540 3.2540 3.5969 3.5969 3.7295 3.7295 4.5755 4.5755 4.7299 4.7299 4.7869 4.7869 10.6348 10.6348 11.4242 11.4242 11.4497 11.4497 11.8910 11.8910 12.0740 12.0740 k = 0.0690 0.0690-0.0000 ( 4185 PWs) bands (ev): -33.2176 -33.2176 -33.1963 -33.1963 -16.8483 -16.8483 -16.0867 -16.0867 -14.4304 -14.4304 -14.3687 -14.3687 -14.0788 -14.0788 -14.0486 -14.0486 -14.0402 -14.0402 -13.7653 -13.7653 -8.2189 -8.2189 -7.6287 -7.6287 1.3582 1.3582 1.4110 1.4110 1.4616 1.4616 1.9957 1.9957 2.7289 2.7289 2.8996 2.8996 3.2401 3.2401 3.6138 3.6138 3.7277 3.7277 4.6026 4.6026 4.7378 4.7378 4.7898 4.7898 10.5930 10.5930 11.3752 11.3752 11.4384 11.4384 11.8708 11.8708 12.0608 12.0608 k = 0.0603 0.0603-0.0000 ( 4185 PWs) bands (ev): -33.2178 -33.2178 -33.1963 -33.1963 -16.8499 -16.8499 -16.0780 -16.0780 -14.4284 -14.4284 -14.3725 -14.3725 -14.0808 -14.0808 -14.0479 -14.0479 -14.0389 -14.0389 -13.7682 -13.7682 -8.2245 -8.2245 -7.6290 -7.6290 1.3631 1.3631 1.4095 1.4095 1.4469 1.4469 1.9965 1.9965 2.7592 2.7592 2.8977 2.8977 3.2256 3.2256 3.6282 3.6282 3.7268 3.7268 4.6250 4.6250 4.7470 4.7470 4.7929 4.7929 10.5556 10.5556 11.3288 11.3288 11.4281 11.4281 11.8538 11.8538 12.0491 12.0491 k = 0.0517 0.0517-0.0000 ( 4177 PWs) bands (ev): -33.2181 -33.2181 -33.1963 -33.1963 -16.8514 -16.8514 -16.0702 -16.0702 -14.4264 -14.4264 -14.3762 -14.3762 -14.0827 -14.0827 -14.0470 -14.0470 -14.0376 -14.0376 -13.7709 -13.7709 -8.2294 -8.2294 -7.6294 -7.6294 1.3677 1.3677 1.4076 1.4076 1.4346 1.4346 1.9973 1.9973 2.7869 2.7869 2.8964 2.8964 3.2109 3.2109 3.6399 3.6399 3.7270 3.7270 4.6421 4.6421 4.7575 4.7575 4.7963 4.7963 10.5229 10.5229 11.2864 11.2864 11.4190 11.4190 11.8399 11.8399 12.0389 12.0389 k = 0.0431 0.0431-0.0000 ( 4187 PWs) bands (ev): -33.2183 -33.2183 -33.1964 -33.1964 -16.8526 -16.8526 -16.0637 -16.0637 -14.4246 -14.4246 -14.3796 -14.3796 -14.0845 -14.0845 -14.0463 -14.0463 -14.0363 -14.0363 -13.7734 -13.7734 -8.2336 -8.2336 -7.6297 -7.6297 1.3718 1.3718 1.4050 1.4050 1.4249 1.4249 1.9979 1.9979 2.8117 2.8117 2.8959 2.8959 3.1965 3.1965 3.6490 3.6490 3.7282 3.7282 4.6544 4.6544 4.7682 4.7682 4.8001 4.8001 10.4949 10.4949 11.2490 11.2490 11.4110 11.4110 11.8285 11.8285 12.0302 12.0302 k = 0.0345 0.0345-0.0000 ( 4179 PWs) bands (ev): -33.2185 -33.2185 -33.1964 -33.1964 -16.8536 -16.8536 -16.0582 -16.0582 -14.4228 -14.4228 -14.3827 -14.3827 -14.0860 -14.0860 -14.0457 -14.0457 -14.0351 -14.0351 -13.7754 -13.7754 -8.2370 -8.2370 -7.6299 -7.6299 1.3754 1.3754 1.4018 1.4018 1.4178 1.4178 1.9985 1.9985 2.8326 2.8326 2.8966 2.8966 3.1829 3.1829 3.6555 3.6555 3.7301 3.7301 4.6627 4.6627 4.7777 4.7777 4.8048 4.8048 10.4718 10.4718 11.2175 11.2175 11.4044 11.4044 11.8195 11.8195 12.0230 12.0230 k = 0.0259 0.0259-0.0000 ( 4185 PWs) bands (ev): -33.2186 -33.2186 -33.1964 -33.1964 -16.8544 -16.8544 -16.0539 -16.0539 -14.4212 -14.4212 -14.3854 -14.3854 -14.0872 -14.0872 -14.0452 -14.0452 -14.0341 -14.0341 -13.7770 -13.7770 -8.2397 -8.2397 -7.6302 -7.6302 1.3781 1.3781 1.3990 1.3990 1.4130 1.4130 1.9990 1.9990 2.8486 2.8486 2.8988 2.8988 3.1708 3.1708 3.6599 3.6599 3.7323 3.7323 4.6681 4.6681 4.7845 4.7845 4.8103 4.8103 10.4538 10.4538 11.1923 11.1923 11.3992 11.3992 11.8126 11.8126 12.0174 12.0174 k = 0.0172 0.0172-0.0000 ( 4189 PWs) bands (ev): -33.2187 -33.2187 -33.1964 -33.1964 -16.8550 -16.8550 -16.0508 -16.0508 -14.4199 -14.4199 -14.3875 -14.3875 -14.0881 -14.0881 -14.0449 -14.0449 -14.0333 -14.0333 -13.7781 -13.7781 -8.2417 -8.2417 -7.6303 -7.6303 1.3795 1.3795 1.3975 1.3975 1.4095 1.4095 1.9993 1.9993 2.8589 2.8589 2.9025 2.9025 3.1611 3.1611 3.6627 3.6627 3.7343 3.7343 4.6714 4.6714 4.7887 4.7887 4.8157 4.8157 10.4408 10.4408 11.1741 11.1741 11.3954 11.3954 11.8078 11.8078 12.0134 12.0134 k = 0.0086 0.0086-0.0000 ( 4193 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8553 -16.8553 -16.0490 -16.0490 -14.4190 -14.4190 -14.3888 -14.3888 -14.0886 -14.0886 -14.0447 -14.0447 -14.0328 -14.0328 -13.7789 -13.7789 -8.2428 -8.2428 -7.6304 -7.6304 1.3798 1.3798 1.3975 1.3975 1.4070 1.4070 1.9995 1.9995 2.8641 2.8641 2.9061 2.9061 3.1547 3.1547 3.6642 3.6642 3.7357 3.7357 4.6732 4.6732 4.7908 4.7908 4.8195 4.8195 10.4329 10.4329 11.1630 11.1630 11.3931 11.3931 11.8050 11.8050 12.0110 12.0110 k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4187 -14.4187 -14.3893 -14.3893 -14.0888 -14.0888 -14.0447 -14.0447 -14.0327 -14.0327 -13.7791 -13.7791 -8.2432 -8.2432 -7.6305 -7.6305 1.3798 1.3798 1.3978 1.3978 1.4060 1.4060 1.9995 1.9995 2.8657 2.8657 2.9077 2.9077 3.1525 3.1525 3.6646 3.6646 3.7362 3.7362 4.6738 4.6738 4.7915 4.7915 4.8209 4.8209 10.4303 10.4303 11.1593 11.1593 11.3923 11.3923 11.8040 11.8040 12.0102 12.0102 k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4187 -14.4187 -14.3893 -14.3893 -14.0888 -14.0888 -14.0447 -14.0447 -14.0327 -14.0327 -13.7791 -13.7791 -8.2432 -8.2432 -7.6305 -7.6305 1.3798 1.3798 1.3978 1.3978 1.4060 1.4060 1.9995 1.9995 2.8657 2.8657 2.9077 2.9077 3.1525 3.1525 3.6646 3.6646 3.7362 3.7362 4.6738 4.6738 4.7915 4.7915 4.8209 4.8209 10.4303 10.4303 11.1593 11.1593 11.3923 11.3923 11.8040 11.8040 12.0102 12.0102 k = 0.0000 0.0000 0.0119 ( 4189 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0483 -16.0483 -14.4187 -14.4187 -14.3893 -14.3893 -14.0888 -14.0888 -14.0447 -14.0447 -14.0327 -14.0327 -13.7790 -13.7790 -8.2433 -8.2433 -7.6303 -7.6303 1.3798 1.3798 1.3971 1.3971 1.4060 1.4060 1.9995 1.9995 2.8654 2.8654 2.9074 2.9074 3.1541 3.1541 3.6651 3.6651 3.7366 3.7366 4.6728 4.6728 4.7905 4.7905 4.8208 4.8208 10.4316 10.4316 11.1625 11.1625 11.3947 11.3947 11.8043 11.8043 12.0081 12.0081 k = 0.0000 0.0000 0.0238 ( 4197 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4189 -14.4189 -14.3892 -14.3892 -14.0888 -14.0888 -14.0450 -14.0450 -14.0327 -14.0327 -13.7786 -13.7786 -8.2437 -8.2437 -7.6299 -7.6299 1.3798 1.3798 1.3951 1.3951 1.4059 1.4059 1.9995 1.9995 2.8646 2.8646 2.9067 2.9067 3.1588 3.1588 3.6664 3.6664 3.7379 3.7379 4.6697 4.6697 4.7875 4.7875 4.8204 4.8204 10.4355 10.4355 11.1721 11.1721 11.4018 11.4018 11.8053 11.8053 12.0019 12.0019 k = 0.0000 0.0000 0.0357 ( 4189 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0483 -16.0483 -14.4191 -14.4191 -14.3891 -14.3891 -14.0887 -14.0887 -14.0454 -14.0454 -14.0327 -14.0327 -13.7780 -13.7780 -8.2444 -8.2444 -7.6291 -7.6291 1.3797 1.3797 1.3918 1.3918 1.4059 1.4059 1.9994 1.9994 2.8634 2.8634 2.9055 2.9055 3.1667 3.1667 3.6686 3.6686 3.7401 3.7401 4.6644 4.6644 4.7828 4.7828 4.8198 4.8198 10.4420 10.4420 11.1881 11.1881 11.4137 11.4137 11.8070 11.8070 11.9917 11.9917 k = 0.0000 0.0000 0.0476 ( 4185 PWs) bands (ev): -33.2188 -33.2188 -33.1965 -33.1965 -16.8554 -16.8554 -16.0483 -16.0483 -14.4194 -14.4194 -14.3890 -14.3890 -14.0887 -14.0887 -14.0460 -14.0460 -14.0328 -14.0328 -13.7771 -13.7771 -8.2452 -8.2452 -7.6280 -7.6280 1.3797 1.3797 1.3872 1.3872 1.4059 1.4059 1.9993 1.9993 2.8616 2.8616 2.9038 2.9038 3.1776 3.1776 3.6716 3.6716 3.7430 3.7430 4.6565 4.6565 4.7768 4.7768 4.8189 4.8189 10.4510 10.4510 11.2102 11.2102 11.4300 11.4300 11.8092 11.8092 11.9774 11.9774 k = 0.0000 0.0000 0.0595 ( 4193 PWs) bands (ev): -33.2187 -33.2187 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4198 -14.4198 -14.3889 -14.3889 -14.0886 -14.0886 -14.0467 -14.0467 -14.0329 -14.0329 -13.7761 -13.7761 -8.2463 -8.2463 -7.6267 -7.6267 1.3796 1.3796 1.3816 1.3816 1.4058 1.4058 1.9991 1.9991 2.8595 2.8595 2.9017 2.9017 3.1914 3.1914 3.6754 3.6754 3.7467 3.7467 4.6455 4.6455 4.7700 4.7700 4.8178 4.8178 10.4626 10.4626 11.2382 11.2382 11.4507 11.4507 11.8121 11.8121 11.9593 11.9593 k = 0.0000 0.0000 0.0714 ( 4193 PWs) bands (ev): -33.2187 -33.2187 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4202 -14.4202 -14.3887 -14.3887 -14.0886 -14.0886 -14.0475 -14.0475 -14.0329 -14.0329 -13.7749 -13.7749 -8.2476 -8.2476 -7.6251 -7.6251 1.3749 1.3749 1.3795 1.3795 1.4057 1.4057 1.9989 1.9989 2.8569 2.8569 2.8992 2.8992 3.2080 3.2080 3.6798 3.6798 3.7511 3.7511 4.6313 4.6313 4.7631 4.7631 4.8165 4.8165 10.4766 10.4766 11.2719 11.2719 11.4755 11.4755 11.8155 11.8155 11.9376 11.9376 k = 0.0000 0.0000 0.0833 ( 4185 PWs) bands (ev): -33.2187 -33.2187 -33.1965 -33.1965 -16.8554 -16.8554 -16.0484 -16.0484 -14.4207 -14.4207 -14.3885 -14.3885 -14.0885 -14.0885 -14.0484 -14.0484 -14.0330 -14.0330 -13.7736 -13.7736 -8.2491 -8.2491 -7.6233 -7.6233 1.3674 1.3674 1.3794 1.3794 1.4056 1.4056 1.9987 1.9987 2.8541 2.8541 2.8964 2.8964 3.2273 3.2273 3.6849 3.6849 3.7561 3.7561 4.6134 4.6134 4.7563 4.7563 4.8150 4.8150 10.4932 10.4932 11.3109 11.3109 11.5041 11.5041 11.8195 11.8195 11.9125 11.9125 k = 0.0000 0.0000 0.0952 ( 4193 PWs) bands (ev): -33.2187 -33.2187 -33.1966 -33.1966 -16.8554 -16.8554 -16.0484 -16.0484 -14.4213 -14.4213 -14.3883 -14.3883 -14.0884 -14.0884 -14.0494 -14.0494 -14.0331 -14.0331 -13.7721 -13.7721 -8.2507 -8.2507 -7.6213 -7.6213 1.3591 1.3591 1.3793 1.3793 1.4055 1.4055 1.9985 1.9985 2.8509 2.8509 2.8933 2.8933 3.2492 3.2492 3.6905 3.6905 3.7616 3.7616 4.5919 4.5919 4.7501 4.7501 4.8133 4.8133 10.5120 10.5120 11.3548 11.3548 11.5363 11.5363 11.8239 11.8239 11.8843 11.8843 k = 0.0000 0.0000 0.1071 ( 4201 PWs) bands (ev): -33.2187 -33.2187 -33.1966 -33.1966 -16.8554 -16.8554 -16.0484 -16.0484 -14.4218 -14.4218 -14.3882 -14.3882 -14.0883 -14.0883 -14.0504 -14.0504 -14.0332 -14.0332 -13.7705 -13.7705 -8.2524 -8.2524 -7.6192 -7.6192 1.3503 1.3503 1.3792 1.3792 1.4053 1.4053 1.9983 1.9983 2.8476 2.8476 2.8900 2.8900 3.2735 3.2735 3.6966 3.6966 3.7675 3.7675 4.5669 4.5669 4.7444 4.7444 4.8115 4.8115 10.5332 10.5332 11.4031 11.4031 11.5715 11.5715 11.8281 11.8281 11.8538 11.8538 k = 0.0000 0.0000 0.1190 ( 4185 PWs) bands (ev): -33.2186 -33.2186 -33.1966 -33.1966 -16.8554 -16.8554 -16.0484 -16.0484 -14.4224 -14.4224 -14.3879 -14.3879 -14.0882 -14.0882 -14.0514 -14.0514 -14.0333 -14.0333 -13.7688 -13.7688 -8.2542 -8.2542 -7.6169 -7.6169 1.3412 1.3412 1.3791 1.3791 1.4052 1.4052 1.9980 1.9980 2.8441 2.8441 2.8866 2.8866 3.2999 3.2999 3.7030 3.7030 3.7737 3.7737 4.5387 4.5387 4.7394 4.7394 4.8095 4.8095 10.5566 10.5566 11.4551 11.4551 11.6095 11.6095 11.8162 11.8162 11.8370 11.8370 k = 0.0000 0.0000 0.1309 ( 4185 PWs) bands (ev): -33.2186 -33.2186 -33.1967 -33.1967 -16.8554 -16.8554 -16.0484 -16.0484 -14.4230 -14.4230 -14.3877 -14.3877 -14.0881 -14.0881 -14.0526 -14.0526 -14.0334 -14.0334 -13.7671 -13.7671 -8.2561 -8.2561 -7.6146 -7.6146 1.3318 1.3318 1.3789 1.3789 1.4051 1.4051 1.9978 1.9978 2.8405 2.8405 2.8831 2.8831 3.3284 3.3284 3.7096 3.7096 3.7802 3.7802 4.5076 4.5076 4.7348 4.7348 4.8075 4.8075 10.5822 10.5822 11.5103 11.5103 11.6498 11.6498 11.7810 11.7810 11.8416 11.8416 k = 0.0000 0.0000 0.1428 ( 4185 PWs) bands (ev): -33.2186 -33.2186 -33.1967 -33.1967 -16.8554 -16.8554 -16.0484 -16.0484 -14.4236 -14.4236 -14.3875 -14.3875 -14.0880 -14.0880 -14.0537 -14.0537 -14.0335 -14.0335 -13.7654 -13.7654 -8.2580 -8.2580 -7.6123 -7.6123 1.3223 1.3223 1.3788 1.3788 1.4050 1.4050 1.9975 1.9975 2.8369 2.8369 2.8796 2.8796 3.3586 3.3586 3.7164 3.7164 3.7867 3.7867 4.4741 4.4741 4.7307 4.7307 4.8054 4.8054 10.6097 10.6097 11.5676 11.5676 11.6918 11.6918 11.7427 11.7427 11.8475 11.8475 k = 0.0000 0.0000 0.1547 ( 4193 PWs) bands (ev): -33.2185 -33.2185 -33.1967 -33.1967 -16.8554 -16.8554 -16.0484 -16.0484 -14.4242 -14.4242 -14.3873 -14.3873 -14.0879 -14.0879 -14.0548 -14.0548 -14.0336 -14.0336 -13.7637 -13.7637 -8.2599 -8.2599 -7.6100 -7.6100 1.3130 1.3130 1.3787 1.3787 1.4048 1.4048 1.9972 1.9972 2.8334 2.8334 2.8761 2.8761 3.3904 3.3904 3.7233 3.7233 3.7931 3.7931 4.4385 4.4385 4.7270 4.7270 4.8033 4.8033 10.6390 10.6390 11.6260 11.6260 11.7024 11.7024 11.7352 11.7352 11.8537 11.8537 k = 0.0000 0.0000 0.1666 ( 4189 PWs) bands (ev): -33.2185 -33.2185 -33.1967 -33.1967 -16.8554 -16.8554 -16.0484 -16.0484 -14.4248 -14.4248 -14.3871 -14.3871 -14.0878 -14.0878 -14.0559 -14.0559 -14.0337 -14.0337 -13.7620 -13.7620 -8.2617 -8.2617 -7.6077 -7.6077 1.3040 1.3040 1.3786 1.3786 1.4047 1.4047 1.9970 1.9970 2.8299 2.8299 2.8727 2.8727 3.4235 3.4235 3.7301 3.7301 3.7995 3.7995 4.4013 4.4013 4.7236 4.7236 4.8011 4.8011 10.6701 10.6701 11.6607 11.6607 11.6838 11.6838 11.7802 11.7802 11.8602 11.8602 k = 0.0000 0.0000 0.1785 ( 4193 PWs) bands (ev): -33.2185 -33.2185 -33.1968 -33.1968 -16.8554 -16.8554 -16.0484 -16.0484 -14.4254 -14.4254 -14.3870 -14.3870 -14.0877 -14.0877 -14.0569 -14.0569 -14.0338 -14.0338 -13.7604 -13.7604 -8.2634 -8.2634 -7.6055 -7.6055 1.2953 1.2953 1.3785 1.3785 1.4046 1.4046 1.9967 1.9967 2.8266 2.8266 2.8695 2.8695 3.4576 3.4576 3.7368 3.7368 3.8056 3.8056 4.3629 4.3629 4.7206 4.7206 4.7991 4.7991 10.7026 10.7026 11.6180 11.6180 11.7389 11.7389 11.8270 11.8270 11.8666 11.8666 k = 0.0000 0.0000 0.1904 ( 4177 PWs) bands (ev): -33.2184 -33.2184 -33.1968 -33.1968 -16.8554 -16.8554 -16.0483 -16.0483 -14.4259 -14.4259 -14.3868 -14.3868 -14.0876 -14.0876 -14.0578 -14.0578 -14.0339 -14.0339 -13.7589 -13.7589 -8.2651 -8.2651 -7.6035 -7.6035 1.2871 1.2871 1.3784 1.3784 1.4045 1.4045 1.9965 1.9965 2.8235 2.8235 2.8664 2.8664 3.4922 3.4922 3.7434 3.7434 3.8114 3.8114 4.3237 4.3237 4.7178 4.7178 4.7971 4.7971 10.7363 10.7363 11.5748 11.5748 11.7889 11.7889 11.8731 11.8731 11.8763 11.8763 k = 0.0000 0.0000 0.2023 ( 4169 PWs) bands (ev): -33.2184 -33.2184 -33.1968 -33.1968 -16.8554 -16.8554 -16.0483 -16.0483 -14.4264 -14.4264 -14.3866 -14.3866 -14.0874 -14.0874 -14.0587 -14.0587 -14.0340 -14.0340 -13.7575 -13.7575 -8.2666 -8.2666 -7.6016 -7.6016 1.2797 1.2797 1.3783 1.3783 1.4044 1.4044 1.9963 1.9963 2.8207 2.8207 2.8637 2.8637 3.5270 3.5270 3.7498 3.7498 3.8168 3.8168 4.2843 4.2843 4.7153 4.7153 4.7953 4.7953 10.7709 10.7709 11.5314 11.5314 11.8322 11.8322 11.8792 11.8792 11.9279 11.9279 k = 0.0000 0.0000 0.2142 ( 4165 PWs) bands (ev): -33.2184 -33.2184 -33.1968 -33.1968 -16.8554 -16.8554 -16.0483 -16.0483 -14.4268 -14.4268 -14.3864 -14.3864 -14.0873 -14.0873 -14.0595 -14.0595 -14.0340 -14.0340 -13.7563 -13.7563 -8.2680 -8.2680 -7.5998 -7.5998 1.2730 1.2730 1.3782 1.3782 1.4043 1.4043 1.9960 1.9960 2.8182 2.8182 2.8612 2.8612 3.5612 3.5612 3.7562 3.7562 3.8216 3.8216 4.2452 4.2452 4.7132 4.7132 4.7936 4.7936 10.8057 10.8057 11.4887 11.4887 11.8683 11.8683 11.8850 11.8850 11.9805 11.9805 k = 0.0000 0.0000 0.2261 ( 4161 PWs) bands (ev): -33.2184 -33.2184 -33.1969 -33.1969 -16.8554 -16.8554 -16.0483 -16.0483 -14.4272 -14.4272 -14.3863 -14.3863 -14.0873 -14.0873 -14.0602 -14.0602 -14.0341 -14.0341 -13.7552 -13.7552 -8.2692 -8.2692 -7.5983 -7.5983 1.2671 1.2671 1.3781 1.3781 1.4042 1.4042 1.9959 1.9959 2.8160 2.8160 2.8590 2.8590 3.5940 3.5940 3.7625 3.7625 3.8259 3.8259 4.2073 4.2073 4.7113 4.7113 4.7922 4.7922 10.8401 10.8401 11.4474 11.4474 11.8902 11.8902 11.8980 11.8980 12.0315 12.0315 k = 0.0000 0.0000 0.2380 ( 4157 PWs) bands (ev): -33.2184 -33.2184 -33.1969 -33.1969 -16.8553 -16.8553 -16.0483 -16.0483 -14.4275 -14.4275 -14.3862 -14.3862 -14.0872 -14.0872 -14.0607 -14.0607 -14.0342 -14.0342 -13.7543 -13.7543 -8.2702 -8.2702 -7.5971 -7.5971 1.2623 1.2623 1.3780 1.3780 1.4041 1.4041 1.9957 1.9957 2.8141 2.8141 2.8572 2.8572 3.6241 3.6241 3.7691 3.7691 3.8294 3.8294 4.1718 4.1718 4.7097 4.7097 4.7909 4.7909 10.8731 10.8731 11.4086 11.4086 11.8948 11.8948 11.9218 11.9218 12.0785 12.0785 k = 0.0000 0.0000 0.2499 ( 4157 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8553 -16.8553 -16.0483 -16.0483 -14.4278 -14.4278 -14.3861 -14.3861 -14.0871 -14.0871 -14.0612 -14.0612 -14.0342 -14.0342 -13.7535 -13.7535 -8.2710 -8.2710 -7.5961 -7.5961 1.2584 1.2584 1.3780 1.3780 1.4041 1.4041 1.9956 1.9956 2.8127 2.8127 2.8558 2.8558 3.6499 3.6499 3.7759 3.7759 3.8323 3.8323 4.1399 4.1399 4.7085 4.7085 4.7899 4.7899 10.9032 10.9032 11.3739 11.3739 11.8985 11.8985 11.9400 11.9400 12.1189 12.1189 k = 0.0000 0.0000 0.2618 ( 4177 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8554 -16.8554 -16.0484 -16.0484 -14.4281 -14.4281 -14.3861 -14.3861 -14.0871 -14.0871 -14.0616 -14.0616 -14.0344 -14.0344 -13.7530 -13.7530 -8.2716 -8.2716 -7.5954 -7.5954 1.2556 1.2556 1.3779 1.3779 1.4040 1.4040 1.9955 1.9955 2.8116 2.8116 2.8548 2.8548 3.6696 3.6696 3.7827 3.7827 3.8343 3.8343 4.1140 4.1140 4.7076 4.7076 4.7892 4.7892 10.9281 10.9281 11.3456 11.3456 11.9012 11.9012 11.9528 11.9528 12.1504 12.1504 k = 0.0000 0.0000 0.2737 ( 4177 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8554 -16.8554 -16.0484 -16.0484 -14.4282 -14.4282 -14.3860 -14.3860 -14.0871 -14.0871 -14.0618 -14.0618 -14.0344 -14.0344 -13.7527 -13.7527 -8.2719 -8.2719 -7.5949 -7.5949 1.2539 1.2539 1.3779 1.3779 1.4040 1.4040 1.9954 1.9954 2.8110 2.8110 2.8541 2.8541 3.6818 3.6818 3.7881 3.7881 3.8356 3.8356 4.0967 4.0967 4.7071 4.7071 4.7887 4.7887 10.9450 10.9450 11.3267 11.3267 11.9029 11.9029 11.9604 11.9604 12.1706 12.1706 k = 0.0000 0.0000 0.2856 ( 4188 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8554 -16.8554 -16.0484 -16.0484 -14.4283 -14.4283 -14.3860 -14.3860 -14.0871 -14.0871 -14.0619 -14.0619 -14.0344 -14.0344 -13.7526 -13.7526 -8.2720 -8.2720 -7.5948 -7.5948 1.2534 1.2534 1.3779 1.3779 1.4040 1.4040 1.9954 1.9954 2.8107 2.8107 2.8539 2.8539 3.6859 3.6859 3.7903 3.7903 3.8360 3.8360 4.0905 4.0905 4.7069 4.7069 4.7885 4.7885 10.9510 10.9510 11.3200 11.3200 11.9035 11.9035 11.9629 11.9629 12.1775 12.1775 k = 0.0000 0.0000 0.2856 ( 4188 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8554 -16.8554 -16.0484 -16.0484 -14.4283 -14.4283 -14.3860 -14.3860 -14.0871 -14.0871 -14.0619 -14.0619 -14.0344 -14.0344 -13.7526 -13.7526 -8.2720 -8.2720 -7.5948 -7.5948 1.2534 1.2534 1.3779 1.3779 1.4040 1.4040 1.9954 1.9954 2.8107 2.8107 2.8539 2.8539 3.6859 3.6859 3.7903 3.7903 3.8360 3.8360 4.0905 4.0905 4.7069 4.7069 4.7885 4.7885 10.9510 10.9510 11.3200 11.3200 11.9035 11.9035 11.9629 11.9629 12.1775 12.1775 k = 0.0000 0.0122 0.2856 ( 4184 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8553 -16.8553 -16.0490 -16.0490 -14.4285 -14.4285 -14.3856 -14.3856 -14.0870 -14.0870 -14.0619 -14.0619 -14.0345 -14.0345 -13.7525 -13.7525 -8.2716 -8.2716 -7.5948 -7.5948 1.2535 1.2535 1.3785 1.3785 1.4046 1.4046 1.9952 1.9952 2.8102 2.8102 2.8534 2.8534 3.6841 3.6841 3.7863 3.7863 3.8314 3.8314 4.0988 4.0988 4.7065 4.7065 4.7880 4.7880 10.9528 10.9528 11.3219 11.3219 11.9032 11.9032 11.9627 11.9627 12.1776 12.1776 k = 0.0000 0.0244 0.2856 ( 4174 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8549 -16.8549 -16.0508 -16.0508 -14.4290 -14.4290 -14.3845 -14.3845 -14.0866 -14.0866 -14.0618 -14.0618 -14.0348 -14.0348 -13.7520 -13.7520 -8.2702 -8.2702 -7.5949 -7.5949 1.2539 1.2539 1.3803 1.3803 1.4063 1.4063 1.9948 1.9948 2.8086 2.8086 2.8517 2.8517 3.6783 3.6783 3.7718 3.7718 3.8233 3.8233 4.1208 4.1208 4.7053 4.7053 4.7865 4.7865 10.9584 10.9584 11.3277 11.3277 11.9025 11.9025 11.9619 11.9619 12.1778 12.1778 k = 0.0000 0.0366 0.2856 ( 4176 PWs) bands (ev): -33.2182 -33.2182 -33.1969 -33.1969 -16.8544 -16.8544 -16.0539 -16.0539 -14.4300 -14.4300 -14.3827 -14.3827 -14.0860 -14.0860 -14.0617 -14.0617 -14.0354 -14.0354 -13.7514 -13.7514 -8.2680 -8.2680 -7.5951 -7.5951 1.2545 1.2545 1.3832 1.3832 1.4093 1.4093 1.9940 1.9940 2.8060 2.8060 2.8490 2.8490 3.6671 3.6671 3.7465 3.7465 3.8184 3.8184 4.1513 4.1513 4.7032 4.7032 4.7840 4.7840 10.9675 10.9675 11.3373 11.3373 11.9010 11.9011 11.9605 11.9605 12.1781 12.1781 k = 0.0000 0.0488 0.2856 ( 4178 PWs) bands (ev): -33.2180 -33.2180 -33.1968 -33.1968 -16.8536 -16.8536 -16.0582 -16.0582 -14.4311 -14.4311 -14.3803 -14.3803 -14.0853 -14.0853 -14.0615 -14.0615 -14.0361 -14.0361 -13.7505 -13.7505 -8.2648 -8.2648 -7.5953 -7.5953 1.2555 1.2555 1.3872 1.3872 1.4134 1.4134 1.9928 1.9928 2.8022 2.8022 2.8453 2.8453 3.6480 3.6480 3.7176 3.7176 3.8165 3.8165 4.1863 4.1863 4.7004 4.7004 4.7805 4.7805 10.9800 10.9800 11.3504 11.3504 11.8992 11.8992 11.9585 11.9585 12.1786 12.1786 k = 0.0000 0.0610 0.2856 ( 4178 PWs) bands (ev): -33.2179 -33.2179 -33.1968 -33.1968 -16.8526 -16.8526 -16.0637 -16.0637 -14.4324 -14.4324 -14.3775 -14.3775 -14.0842 -14.0842 -14.0613 -14.0613 -14.0370 -14.0370 -13.7494 -13.7494 -8.2608 -8.2608 -7.5956 -7.5956 1.2569 1.2569 1.3922 1.3922 1.4189 1.4189 1.9914 1.9914 2.7972 2.7972 2.8404 2.8404 3.6181 3.6181 3.6920 3.6920 3.8164 3.8164 4.2232 4.2232 4.6969 4.6969 4.7760 4.7760 10.9959 10.9959 11.3668 11.3668 11.8969 11.8969 11.9559 11.9559 12.1790 12.1790 k = 0.0000 0.0732 0.2856 ( 4182 PWs) bands (ev): -33.2177 -33.2177 -33.1968 -33.1968 -16.8514 -16.8514 -16.0703 -16.0703 -14.4336 -14.4336 -14.3745 -14.3745 -14.0830 -14.0830 -14.0611 -14.0611 -14.0379 -14.0379 -13.7481 -13.7481 -8.2559 -8.2559 -7.5960 -7.5960 1.2586 1.2586 1.3980 1.3980 1.4256 1.4256 1.9896 1.9896 2.7909 2.7909 2.8345 2.8345 3.5787 3.5787 3.6704 3.6704 3.8174 3.8174 4.2605 4.2605 4.6927 4.6927 4.7708 4.7708 11.0148 11.0148 11.3861 11.3861 11.8942 11.8942 11.9525 11.9525 12.1795 12.1795 k = 0.0000 0.0854 0.2856 ( 4170 PWs) bands (ev): -33.2174 -33.2174 -33.1967 -33.1967 -16.8499 -16.8499 -16.0780 -16.0780 -14.4348 -14.4348 -14.3712 -14.3712 -14.0816 -14.0816 -14.0608 -14.0608 -14.0388 -14.0388 -13.7467 -13.7467 -8.2502 -8.2502 -7.5965 -7.5965 1.2609 1.2609 1.4045 1.4045 1.4337 1.4337 1.9874 1.9874 2.7834 2.7834 2.8275 2.8275 3.5341 3.5341 3.6501 3.6501 3.8192 3.8192 4.2975 4.2975 4.6880 4.6880 4.7648 4.7648 11.0366 11.0366 11.4080 11.4080 11.8913 11.8913 11.9484 11.9484 12.1799 12.1799 k = 0.0000 0.0976 0.2856 ( 4164 PWs) bands (ev): -33.2171 -33.2171 -33.1967 -33.1967 -16.8482 -16.8482 -16.0868 -16.0868 -14.4359 -14.4359 -14.3677 -14.3677 -14.0800 -14.0800 -14.0606 -14.0606 -14.0398 -14.0398 -13.7451 -13.7451 -8.2436 -8.2436 -7.5971 -7.5971 1.2636 1.2636 1.4118 1.4118 1.4430 1.4430 1.9849 1.9849 2.7745 2.7745 2.8192 2.8192 3.4872 3.4872 3.6292 3.6292 3.8218 3.8218 4.3336 4.3336 4.6826 4.6826 4.7581 4.7581 11.0610 11.0610 11.4318 11.4318 11.8882 11.8882 11.9436 11.9436 12.1803 12.1803 k = 0.0000 0.1098 0.2856 ( 4160 PWs) bands (ev): -33.2168 -33.2168 -33.1966 -33.1966 -16.8463 -16.8463 -16.0967 -16.0967 -14.4369 -14.4369 -14.3643 -14.3643 -14.0784 -14.0784 -14.0602 -14.0602 -14.0405 -14.0405 -13.7436 -13.7436 -8.2362 -8.2362 -7.5978 -7.5978 1.2669 1.2669 1.4197 1.4197 1.4534 1.4534 1.9820 1.9820 2.7642 2.7642 2.8097 2.8097 3.4395 3.4395 3.6069 3.6069 3.8252 3.8252 4.3685 4.3685 4.6768 4.6768 4.7509 4.7509 11.0876 11.0876 11.4568 11.4568 11.8850 11.8850 11.9383 11.9383 12.1805 12.1805 k = 0.0000 0.1220 0.2856 ( 4148 PWs) bands (ev): -33.2165 -33.2165 -33.1966 -33.1966 -16.8441 -16.8441 -16.1075 -16.1075 -14.4376 -14.4376 -14.3608 -14.3608 -14.0768 -14.0768 -14.0598 -14.0598 -14.0411 -14.0411 -13.7420 -13.7420 -8.2280 -8.2280 -7.5986 -7.5986 1.2707 1.2707 1.4284 1.4284 1.4650 1.4650 1.9787 1.9787 2.7526 2.7526 2.7986 2.7986 3.3922 3.3922 3.5828 3.5828 3.8292 3.8292 4.4018 4.4018 4.6706 4.6706 4.7433 4.7433 11.1160 11.1160 11.4824 11.4824 11.8818 11.8818 11.9329 11.9329 12.1806 12.1806 k = 0.0000 0.1341 0.2856 ( 4146 PWs) bands (ev): -33.2161 -33.2161 -33.1965 -33.1965 -16.8416 -16.8416 -16.1192 -16.1192 -14.4382 -14.4382 -14.3575 -14.3575 -14.0753 -14.0753 -14.0591 -14.0591 -14.0413 -14.0413 -13.7404 -13.7404 -8.2190 -8.2190 -7.5995 -7.5995 1.2751 1.2751 1.4377 1.4377 1.4775 1.4775 1.9750 1.9750 2.7395 2.7395 2.7858 2.7858 3.3460 3.3460 3.5571 3.5571 3.8339 3.8339 4.4334 4.4334 4.6639 4.6639 4.7354 4.7354 11.1460 11.1460 11.5072 11.5072 11.8787 11.8787 11.9277 11.9277 12.1806 12.1806 k = 0.0000 0.1463 0.2856 ( 4150 PWs) bands (ev): -33.2157 -33.2157 -33.1965 -33.1965 -16.8390 -16.8390 -16.1317 -16.1317 -14.4386 -14.4386 -14.3543 -14.3543 -14.0742 -14.0742 -14.0582 -14.0582 -14.0412 -14.0412 -13.7390 -13.7390 -8.2093 -8.2093 -7.6007 -7.6007 1.2802 1.2802 1.4476 1.4476 1.4909 1.4909 1.9708 1.9708 2.7250 2.7250 2.7708 2.7708 3.3016 3.3016 3.5298 3.5298 3.8392 3.8392 4.4629 4.4629 4.6570 4.6570 4.7273 4.7273 11.1773 11.1773 11.5303 11.5303 11.8758 11.8758 11.9235 11.9235 12.1804 12.1804 k = 0.0000 0.1585 0.2856 ( 4156 PWs) bands (ev): -33.2153 -33.2153 -33.1964 -33.1964 -16.8360 -16.8360 -16.1451 -16.1451 -14.4387 -14.4387 -14.3512 -14.3512 -14.0735 -14.0735 -14.0570 -14.0570 -14.0406 -14.0406 -13.7377 -13.7377 -8.1989 -8.1989 -7.6020 -7.6020 1.2859 1.2859 1.4583 1.4583 1.5050 1.5050 1.9662 1.9662 2.7091 2.7091 2.7536 2.7536 3.2598 3.2598 3.5011 3.5011 3.8451 3.8451 4.4902 4.4902 4.6500 4.6500 4.7193 4.7193 11.2094 11.2094 11.5501 11.5501 11.8732 11.8732 11.9212 11.9212 12.1800 12.1800 k = 0.0000 0.1707 0.2856 ( 4156 PWs) bands (ev): -33.2148 -33.2148 -33.1964 -33.1964 -16.8328 -16.8328 -16.1592 -16.1592 -14.4386 -14.4386 -14.3484 -14.3484 -14.0732 -14.0732 -14.0556 -14.0556 -14.0393 -14.0393 -13.7366 -13.7366 -8.1878 -8.1878 -7.6034 -7.6034 1.2922 1.2922 1.4697 1.4697 1.5198 1.5198 1.9613 1.9613 2.6916 2.6916 2.7338 2.7338 3.2210 3.2210 3.4712 3.4712 3.8516 3.8516 4.5147 4.5147 4.6432 4.6432 4.7115 4.7115 11.2420 11.2420 11.5655 11.5655 11.8711 11.8711 11.9219 11.9219 12.1797 12.1797 k = 0.0000 0.1829 0.2856 ( 4148 PWs) bands (ev): -33.2143 -33.2143 -33.1963 -33.1963 -16.8293 -16.8293 -16.1740 -16.1740 -14.4383 -14.4383 -14.3458 -14.3458 -14.0733 -14.0733 -14.0541 -14.0541 -14.0373 -14.0373 -13.7356 -13.7356 -8.1761 -8.1761 -7.6051 -7.6051 1.2993 1.2993 1.4818 1.4818 1.5350 1.5350 1.9559 1.9559 2.6724 2.6724 2.7114 2.7114 3.1858 3.1858 3.4403 3.4403 3.8586 3.8586 4.5357 4.5357 4.6374 4.6374 4.7040 4.7040 11.2748 11.2748 11.5755 11.5755 11.8695 11.8695 11.9263 11.9263 12.1793 12.1793 k = 0.0000 0.1951 0.2856 ( 4156 PWs) bands (ev): -33.2138 -33.2138 -33.1963 -33.1963 -16.8255 -16.8255 -16.1894 -16.1894 -14.4378 -14.4378 -14.3435 -14.3435 -14.0736 -14.0736 -14.0527 -14.0527 -14.0345 -14.0345 -13.7349 -13.7349 -8.1637 -8.1637 -7.6070 -7.6070 1.3070 1.3070 1.4947 1.4947 1.5507 1.5507 1.9500 1.9500 2.6511 2.6511 2.6868 2.6868 3.1544 3.1544 3.4087 3.4087 3.8662 3.8662 4.5516 4.5516 4.6340 4.6340 4.6969 4.6969 11.3073 11.3073 11.5794 11.5794 11.8685 11.8685 11.9344 11.9344 12.1791 12.1791 k = 0.0000 0.2073 0.2856 ( 4154 PWs) bands (ev): -33.2133 -33.2133 -33.1962 -33.1962 -16.8214 -16.8214 -16.2053 -16.2053 -14.4370 -14.4370 -14.3415 -14.3415 -14.0741 -14.0741 -14.0516 -14.0516 -14.0308 -14.0308 -13.7345 -13.7345 -8.1508 -8.1508 -7.6092 -7.6092 1.3154 1.3154 1.5082 1.5082 1.5665 1.5665 1.9437 1.9437 2.6267 2.6267 2.6610 2.6610 3.1270 3.1270 3.3767 3.3767 3.8743 3.8743 4.5600 4.5600 4.6353 4.6353 4.6905 4.6905 11.3393 11.3393 11.5778 11.5778 11.8683 11.8683 11.9459 11.9459 12.1791 12.1791 k = 0.0000 0.2195 0.2856 ( 4154 PWs) bands (ev): -33.2127 -33.2127 -33.1962 -33.1962 -16.8170 -16.8170 -16.2217 -16.2217 -14.4360 -14.4360 -14.3398 -14.3398 -14.0747 -14.0747 -14.0507 -14.0507 -14.0263 -14.0263 -13.7344 -13.7344 -8.1373 -8.1373 -7.6116 -7.6116 1.3245 1.3245 1.5225 1.5225 1.5826 1.5826 1.9371 1.9371 2.5984 2.5984 2.6351 2.6351 3.1035 3.1035 3.3445 3.3445 3.8829 3.8829 4.5601 4.5601 4.6422 4.6422 4.6847 4.6847 11.3704 11.3704 11.5716 11.5716 11.8689 11.8689 11.9598 11.9598 12.1793 12.1793 k = 0.0000 0.2317 0.2856 ( 4162 PWs) bands (ev): -33.2122 -33.2122 -33.1962 -33.1962 -16.8123 -16.8123 -16.2385 -16.2385 -14.4349 -14.4349 -14.3384 -14.3384 -14.0752 -14.0752 -14.0500 -14.0500 -14.0212 -14.0212 -13.7347 -13.7347 -8.1234 -8.1234 -7.6144 -7.6144 1.3343 1.3343 1.5374 1.5374 1.5986 1.5986 1.9300 1.9300 2.5659 2.5659 2.6099 2.6099 3.0835 3.0835 3.3124 3.3124 3.8920 3.8920 4.5539 4.5539 4.6527 4.6527 4.6796 4.6796 11.4003 11.4003 11.5619 11.5619 11.8704 11.8704 11.9749 11.9749 12.1801 12.1801 k = 0.0000 0.2439 0.2856 ( 4180 PWs) bands (ev): -33.2116 -33.2116 -33.1961 -33.1961 -16.8073 -16.8073 -16.2557 -16.2557 -14.4335 -14.4335 -14.3373 -14.3373 -14.0758 -14.0758 -14.0495 -14.0495 -14.0155 -14.0155 -13.7353 -13.7353 -8.1089 -8.1089 -7.6174 -7.6174 1.3448 1.3448 1.5530 1.5530 1.6144 1.6144 1.9226 1.9226 2.5298 2.5298 2.5853 2.5853 3.0668 3.0668 3.2808 3.2808 3.9016 3.9016 4.5438 4.5438 4.6640 4.6640 4.6757 4.6757 11.4286 11.4286 11.5497 11.5497 11.8728 11.8728 11.9902 11.9902 12.1814 12.1814 k = 0.0000 0.2561 0.2856 ( 4176 PWs) bands (ev): -33.2110 -33.2110 -33.1961 -33.1961 -16.8019 -16.8019 -16.2731 -16.2731 -14.4319 -14.4319 -14.3366 -14.3366 -14.0762 -14.0762 -14.0491 -14.0491 -14.0093 -14.0093 -13.7363 -13.7363 -8.0941 -8.0941 -7.6208 -7.6208 1.3561 1.3561 1.5693 1.5693 1.6301 1.6301 1.9148 1.9148 2.4912 2.4912 2.5608 2.5608 3.0529 3.0529 3.2498 3.2498 3.9116 3.9116 4.5315 4.5315 4.6689 4.6689 4.6786 4.6786 11.4551 11.4551 11.5363 11.5363 11.8765 11.8765 12.0050 12.0050 12.1835 12.1835 k = 0.0000 0.2683 0.2856 ( 4170 PWs) bands (ev): -33.2104 -33.2104 -33.1961 -33.1961 -16.7962 -16.7962 -16.2908 -16.2908 -14.4301 -14.4301 -14.3361 -14.3361 -14.0765 -14.0765 -14.0489 -14.0489 -14.0026 -14.0026 -13.7376 -13.7376 -8.0790 -8.0790 -7.6245 -7.6245 1.3680 1.3680 1.5863 1.5863 1.6453 1.6453 1.9068 1.9068 2.4510 2.4510 2.5361 2.5361 3.0413 3.0413 3.2197 3.2197 3.9221 3.9221 4.5177 4.5177 4.6665 4.6665 4.6885 4.6885 11.4793 11.4793 11.5225 11.5225 11.8812 11.8812 12.0191 12.0191 12.1864 12.1864 k = 0.0000 0.2805 0.2856 ( 4160 PWs) bands (ev): -33.2098 -33.2098 -33.1962 -33.1962 -16.7901 -16.7901 -16.3087 -16.3087 -14.4282 -14.4282 -14.3360 -14.3360 -14.0766 -14.0766 -14.0488 -14.0488 -13.9955 -13.9955 -13.7394 -13.7394 -8.0635 -8.0635 -7.6286 -7.6286 1.3807 1.3807 1.6039 1.6039 1.6601 1.6601 1.8985 1.8985 2.4097 2.4097 2.5111 2.5111 3.0317 3.0317 3.1908 3.1908 3.9331 3.9331 4.5029 4.5029 4.6638 4.6638 4.6980 4.6980 11.5009 11.5009 11.5089 11.5089 11.8872 11.8872 12.0320 12.0320 12.1903 12.1903 k = 0.0000 0.2927 0.2856 ( 4164 PWs) bands (ev): -33.2092 -33.2092 -33.1962 -33.1962 -16.7836 -16.7836 -16.3267 -16.3267 -14.4260 -14.4260 -14.3362 -14.3362 -14.0767 -14.0767 -14.0487 -14.0487 -13.9882 -13.9882 -13.7416 -13.7416 -8.0477 -8.0477 -7.6331 -7.6331 1.3940 1.3940 1.6221 1.6221 1.6744 1.6744 1.8900 1.8900 2.3680 2.3680 2.4857 2.4857 3.0236 3.0236 3.1632 3.1632 3.9445 3.9445 4.4873 4.4873 4.6617 4.6617 4.7062 4.7062 11.4955 11.4955 11.5203 11.5203 11.8944 11.8944 12.0438 12.0438 12.1950 12.1950 k = 0.0000 0.3049 0.2856 ( 4168 PWs) bands (ev): -33.2086 -33.2086 -33.1962 -33.1962 -16.7768 -16.7768 -16.3447 -16.3447 -14.4237 -14.4237 -14.3367 -14.3367 -14.0767 -14.0767 -14.0488 -14.0488 -13.9805 -13.9805 -13.7442 -13.7442 -8.0317 -8.0317 -7.6380 -7.6380 1.4081 1.4081 1.6408 1.6408 1.6879 1.6879 1.8814 1.8814 2.3263 2.3263 2.4600 2.4600 3.0168 3.0168 3.1373 3.1373 3.9562 3.9562 4.4712 4.4712 4.6599 4.6599 4.7132 4.7132 11.4835 11.4835 11.5365 11.5365 11.9029 11.9029 12.0547 12.0547 12.2007 12.2007 k = 0.0000 0.3171 0.2856 ( 4172 PWs) bands (ev): -33.2080 -33.2080 -33.1963 -33.1963 -16.7696 -16.7696 -16.3628 -16.3628 -14.4213 -14.4213 -14.3375 -14.3375 -14.0765 -14.0765 -14.0491 -14.0491 -13.9725 -13.9725 -13.7472 -13.7472 -8.0156 -8.0156 -7.6434 -7.6434 1.4229 1.4229 1.6600 1.6600 1.7009 1.7009 1.8726 1.8726 2.2848 2.2848 2.4338 2.4338 3.0110 3.0110 3.1130 3.1130 3.9684 3.9684 4.4546 4.4546 4.6587 4.6587 4.7188 4.7188 11.4727 11.4727 11.5498 11.5498 11.9127 11.9127 12.0647 12.0647 12.2072 12.2072 k = 0.0000 0.3293 0.2856 ( 4176 PWs) bands (ev): -33.2073 -33.2073 -33.1964 -33.1964 -16.7620 -16.7620 -16.3808 -16.3808 -14.4187 -14.4187 -14.3386 -14.3386 -14.0762 -14.0762 -14.0494 -14.0494 -13.9642 -13.9642 -13.7507 -13.7507 -7.9993 -7.9993 -7.6492 -7.6492 1.4383 1.4383 1.6795 1.6795 1.7132 1.7132 1.8638 1.8638 2.2438 2.2438 2.4073 2.4073 3.0061 3.0061 3.0907 3.0907 3.9810 3.9810 4.4376 4.4376 4.6580 4.6580 4.7230 4.7230 11.4633 11.4633 11.5600 11.5600 11.9239 11.9239 12.0742 12.0742 12.2142 12.2142 k = 0.0000 0.3415 0.2856 ( 4170 PWs) bands (ev): -33.2067 -33.2067 -33.1965 -33.1965 -16.7540 -16.7540 -16.3988 -16.3988 -14.4160 -14.4160 -14.3399 -14.3399 -14.0757 -14.0757 -14.0498 -14.0498 -13.9557 -13.9557 -13.7546 -13.7546 -7.9830 -7.9830 -7.6555 -7.6555 1.4545 1.4545 1.6989 1.6989 1.7253 1.7253 1.8551 1.8551 2.2036 2.2036 2.3805 2.3805 3.0018 3.0018 3.0703 3.0703 3.9940 3.9940 4.4204 4.4204 4.6578 4.6578 4.7260 4.7260 11.4557 11.4557 11.5674 11.5674 11.9366 11.9366 12.0832 12.0832 12.2215 12.2215 k = 0.0000 0.3537 0.2856 ( 4162 PWs) bands (ev): -33.2061 -33.2061 -33.1966 -33.1966 -16.7455 -16.7455 -16.4167 -16.4167 -14.4131 -14.4131 -14.3414 -14.3414 -14.0751 -14.0751 -14.0503 -14.0503 -13.9471 -13.9471 -13.7590 -13.7590 -7.9666 -7.9666 -7.6623 -7.6623 1.4714 1.4714 1.7171 1.7171 1.7382 1.7382 1.8465 1.8465 2.1642 2.1642 2.3534 2.3534 2.9980 2.9980 3.0520 3.0520 4.0073 4.0073 4.4029 4.4029 4.6580 4.6580 4.7279 4.7279 11.4497 11.4497 11.5719 11.5719 11.9507 11.9508 12.0920 12.0920 12.2286 12.2286 k = 0.0000 0.3659 0.2856 ( 4166 PWs) bands (ev): -33.2055 -33.2055 -33.1967 -33.1967 -16.7367 -16.7367 -16.4344 -16.4344 -14.4101 -14.4101 -14.3432 -14.3432 -14.0745 -14.0745 -14.0509 -14.0509 -13.9383 -13.9383 -13.7637 -13.7637 -7.9503 -7.9503 -7.6695 -7.6695 1.4889 1.4889 1.7320 1.7320 1.7536 1.7536 1.8381 1.8381 2.1259 2.1259 2.3261 2.3261 2.9946 2.9946 3.0358 3.0358 4.0210 4.0210 4.3853 4.3853 4.6587 4.6587 4.7286 4.7286 11.4453 11.4453 11.5738 11.5738 11.9663 11.9663 12.1006 12.1006 12.2350 12.2350 k = 0.0000 0.3780 0.2856 ( 4174 PWs) bands (ev): -33.2049 -33.2049 -33.1969 -33.1969 -16.7274 -16.7274 -16.4519 -16.4519 -14.4071 -14.4071 -14.3452 -14.3452 -14.0737 -14.0737 -14.0517 -14.0517 -13.9294 -13.9294 -13.7689 -13.7689 -7.9340 -7.9340 -7.6773 -7.6773 1.5070 1.5070 1.7430 1.7430 1.7722 1.7722 1.8304 1.8304 2.0887 2.0887 2.2986 2.2986 2.9914 2.9914 3.0217 3.0217 4.0350 4.0350 4.3676 4.3676 4.6599 4.6599 4.7283 4.7283 11.4427 11.4427 11.5732 11.5733 11.9833 11.9833 12.1092 12.1092 12.2404 12.2404 k = 0.0000 0.3902 0.2856 ( 4174 PWs) bands (ev): -33.2043 -33.2043 -33.1971 -33.1971 -16.7177 -16.7177 -16.4692 -16.4692 -14.4039 -14.4039 -14.3474 -14.3474 -14.0729 -14.0729 -14.0525 -14.0525 -13.9203 -13.9203 -13.7745 -13.7745 -7.9178 -7.9178 -7.6856 -7.6856 1.5258 1.5258 1.7516 1.7516 1.7909 1.7909 1.8248 1.8248 2.0528 2.0528 2.2710 2.2710 2.9884 2.9884 3.0096 3.0096 4.0494 4.0494 4.3498 4.3498 4.6615 4.6615 4.7271 4.7271 11.4418 11.4418 11.5706 11.5706 12.0017 12.0017 12.1179 12.1179 12.2443 12.2443 k = 0.0000 0.4024 0.2856 ( 4174 PWs) bands (ev): -33.2038 -33.2038 -33.1973 -33.1973 -16.7076 -16.7076 -16.4862 -16.4862 -14.4007 -14.4007 -14.3498 -14.3498 -14.0719 -14.0719 -14.0534 -14.0534 -13.9112 -13.9112 -13.7804 -13.7804 -7.9018 -7.9018 -7.6945 -7.6945 1.5453 1.5453 1.7586 1.7586 1.8013 1.8013 1.8289 1.8289 2.0183 2.0183 2.2433 2.2433 2.9856 2.9856 2.9995 2.9995 4.0641 4.0641 4.3319 4.3319 4.6636 4.6636 4.7251 4.7251 11.4426 11.4426 11.5660 11.5660 12.0216 12.0216 12.1268 12.1268 12.2464 12.2464 k = 0.0000 0.4146 0.2856 ( 4180 PWs) bands (ev): -33.2032 -33.2032 -33.1975 -33.1975 -16.6970 -16.6970 -16.5030 -16.5030 -14.3974 -14.3974 -14.3523 -14.3523 -14.0709 -14.0709 -14.0543 -14.0543 -13.9021 -13.9021 -13.7867 -13.7867 -7.8860 -7.8860 -7.7038 -7.7038 1.5653 1.5653 1.7644 1.7644 1.7986 1.7986 1.8472 1.8472 1.9853 1.9853 2.2155 2.2155 2.9828 2.9828 2.9913 2.9913 4.0791 4.0791 4.3141 4.3141 4.6660 4.6660 4.7224 4.7224 11.4449 11.4449 11.5599 11.5599 12.0430 12.0430 12.1359 12.1359 12.2467 12.2467 k = 0.0000 0.4268 0.2856 ( 4172 PWs) bands (ev): -33.2027 -33.2027 -33.1978 -33.1978 -16.6860 -16.6860 -16.5194 -16.5194 -14.3940 -14.3940 -14.3550 -14.3550 -14.0698 -14.0698 -14.0554 -14.0554 -13.8930 -13.8930 -13.7933 -13.7933 -7.8704 -7.8704 -7.7137 -7.7137 1.5858 1.5858 1.7688 1.7688 1.7928 1.7928 1.8700 1.8700 1.9541 1.9541 2.1877 2.1877 2.9801 2.9801 2.9850 2.9850 4.0944 4.0944 4.2963 4.2963 4.6689 4.6689 4.7191 4.7191 11.4487 11.4487 11.5524 11.5524 12.0657 12.0657 12.1453 12.1453 12.2450 12.2450 k = 0.0000 0.4390 0.2856 ( 4172 PWs) bands (ev): -33.2021 -33.2021 -33.1981 -33.1981 -16.6745 -16.6745 -16.5355 -16.5355 -14.3906 -14.3906 -14.3579 -14.3579 -14.0687 -14.0687 -14.0565 -14.0565 -13.8838 -13.8838 -13.8003 -13.8003 -7.8551 -7.8551 -7.7242 -7.7242 1.6067 1.6067 1.7697 1.7697 1.7890 1.7890 1.8941 1.8941 1.9249 1.9249 2.1600 2.1600 2.9771 2.9771 2.9805 2.9805 4.1100 4.1100 4.2786 4.2786 4.6722 4.6722 4.7154 4.7154 11.4538 11.4538 11.5439 11.5439 12.0899 12.0899 12.1548 12.1548 12.2415 12.2415 k = 0.0000 0.4512 0.2856 ( 4168 PWs) bands (ev): -33.2016 -33.2016 -33.1984 -33.1984 -16.6625 -16.6625 -16.5512 -16.5512 -14.3872 -14.3872 -14.3608 -14.3608 -14.0675 -14.0675 -14.0576 -14.0576 -13.8748 -13.8748 -13.8077 -13.8077 -7.8401 -7.8401 -7.7351 -7.7351 1.6279 1.6279 1.7646 1.7646 1.7902 1.7902 1.8974 1.8974 1.9194 1.9194 2.1324 2.1324 2.9743 2.9743 2.9774 2.9774 4.1259 4.1259 4.2610 4.2610 4.6758 4.6758 4.7112 4.7112 11.4601 11.4601 11.5346 11.5346 12.1153 12.1153 12.1646 12.1646 12.2364 12.2364 k = 0.0000 0.4634 0.2856 ( 4164 PWs) bands (ev): -33.2011 -33.2011 -33.1987 -33.1987 -16.6501 -16.6501 -16.5666 -16.5666 -14.3838 -14.3838 -14.3639 -14.3639 -14.0663 -14.0663 -14.0588 -14.0588 -13.8658 -13.8658 -13.8153 -13.8153 -7.8255 -7.8255 -7.7466 -7.7466 1.6492 1.6492 1.7550 1.7550 1.7950 1.7950 1.8734 1.8734 1.9447 1.9447 2.1049 2.1049 2.9722 2.9722 2.9751 2.9751 4.1420 4.1420 4.2435 4.2435 4.6798 4.6798 4.7069 4.7069 11.4675 11.4675 11.5248 11.5248 12.1420 12.1420 12.1745 12.1745 12.2300 12.2300 k = 0.0000 0.4756 0.2856 ( 4168 PWs) bands (ev): -33.2007 -33.2007 -33.1990 -33.1990 -16.6373 -16.6373 -16.5816 -16.5816 -14.3804 -14.3804 -14.3671 -14.3671 -14.0650 -14.0650 -14.0600 -14.0600 -13.8569 -13.8569 -13.8232 -13.8232 -7.8112 -7.8112 -7.7586 -7.7586 1.6703 1.6703 1.7426 1.7426 1.8016 1.8016 1.8524 1.8524 1.9706 1.9706 2.0775 2.0775 2.9710 2.9710 2.9732 2.9732 4.1584 4.1584 4.2261 4.2261 4.6840 4.6840 4.7023 4.7023 11.4758 11.4758 11.5147 11.5147 12.1696 12.1696 12.1844 12.1844 12.2227 12.2227 k = 0.0000 0.4878 0.2856 ( 4168 PWs) bands (ev): -33.2002 -33.2002 -33.1994 -33.1994 -16.6240 -16.6240 -16.5962 -16.5962 -14.3770 -14.3770 -14.3703 -14.3703 -14.0638 -14.0638 -14.0613 -14.0613 -13.8482 -13.8482 -13.8313 -13.8313 -7.7974 -7.7974 -7.7710 -7.7710 1.6908 1.6908 1.7275 1.7275 1.8102 1.8102 1.8350 1.8350 1.9968 1.9968 2.0504 2.0504 2.9706 2.9706 2.9718 2.9718 4.1750 4.1750 4.2089 4.2089 4.6884 4.6884 4.6976 4.6976 11.4849 11.4849 11.5045 11.5045 12.1930 12.1930 12.1977 12.1978 12.2162 12.2162 k = 0.0000 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6103 -16.6103 -16.6103 -16.6103 -14.3736 -14.3736 -14.3736 -14.3736 -14.0625 -14.0625 -14.0625 -14.0625 -13.8397 -13.8397 -13.8397 -13.8397 -7.7840 -7.7840 -7.7840 -7.7840 1.7101 1.7101 1.7101 1.7101 1.8211 1.8211 1.8211 1.8211 2.0235 2.0235 2.0235 2.0235 2.9709 2.9709 2.9709 2.9709 4.1918 4.1918 4.1918 4.1918 4.6930 4.6930 4.6930 4.6930 11.4945 11.4945 11.4945 11.4945 12.2022 12.2022 12.2022 12.2022 12.2323 12.2323 k = 0.0000 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6103 -16.6103 -16.6103 -16.6103 -14.3736 -14.3736 -14.3736 -14.3736 -14.0625 -14.0625 -14.0625 -14.0625 -13.8397 -13.8397 -13.8397 -13.8397 -7.7840 -7.7840 -7.7840 -7.7840 1.7101 1.7101 1.7101 1.7101 1.8211 1.8211 1.8211 1.8211 2.0235 2.0235 2.0235 2.0235 2.9709 2.9709 2.9709 2.9709 4.1918 4.1918 4.1918 4.1918 4.6930 4.6930 4.6930 4.6930 11.4945 11.4945 11.4945 11.4945 12.2022 12.2022 12.2022 12.2022 12.2323 12.2323 k = 0.0122 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6109 -16.6109 -16.6100 -16.6100 -14.3771 -14.3771 -14.3702 -14.3702 -14.0630 -14.0630 -14.0623 -14.0623 -13.8428 -13.8428 -13.8359 -13.8359 -7.7839 -7.7839 -7.7839 -7.7839 1.7072 1.7072 1.7105 1.7105 1.8118 1.8118 1.8172 1.8172 2.0309 2.0309 2.0331 2.0331 2.9709 2.9709 2.9712 2.9712 4.1884 4.1884 4.1925 4.1925 4.6908 4.6908 4.6940 4.6940 11.4964 11.4964 11.4967 11.4967 12.2016 12.2016 12.2041 12.2041 12.2319 12.2341 k = 0.0244 0.5000 0.2856 ( 4160 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6117 -16.6117 -16.6099 -16.6099 -14.3808 -14.3808 -14.3669 -14.3669 -14.0638 -14.0638 -14.0624 -14.0624 -13.8453 -13.8453 -13.8315 -13.8315 -7.7838 -7.7838 -7.7838 -7.7838 1.7010 1.7010 1.7079 1.7079 1.7933 1.7933 1.8037 1.8037 2.0528 2.0528 2.0564 2.0564 2.9710 2.9710 2.9718 2.9718 4.1822 4.1822 4.1903 4.1903 4.6875 4.6875 4.6938 4.6938 11.5022 11.5022 11.5029 11.5029 12.2024 12.2024 12.2071 12.2071 12.2338 12.2340 k = 0.0366 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1997 -33.1997 -33.1997 -33.1997 -16.6128 -16.6128 -16.6100 -16.6100 -14.3845 -14.3845 -14.3638 -14.3638 -14.0649 -14.0649 -14.0629 -14.0629 -13.8472 -13.8472 -13.8267 -13.8267 -7.7835 -7.7835 -7.7835 -7.7835 1.6894 1.6894 1.6994 1.6994 1.7738 1.7738 1.7878 1.7878 2.0837 2.0837 2.0879 2.0879 2.9715 2.9715 2.9725 2.9725 4.1733 4.1733 4.1853 4.1853 4.6830 4.6830 4.6924 4.6924 11.5120 11.5120 11.5130 11.5130 12.2044 12.2044 12.2111 12.2111 12.2378 12.2379 k = 0.0488 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1996 -33.1996 -33.1996 -33.1996 -16.6140 -16.6140 -16.6104 -16.6104 -14.3883 -14.3883 -14.3608 -14.3608 -14.0661 -14.0661 -14.0638 -14.0638 -13.8482 -13.8482 -13.8215 -13.8215 -7.7831 -7.7831 -7.7831 -7.7831 1.6705 1.6705 1.6813 1.6813 1.7606 1.7606 1.7757 1.7757 2.1196 2.1196 2.1241 2.1241 2.9721 2.9721 2.9736 2.9736 4.1618 4.1618 4.1777 4.1777 4.6775 4.6775 4.6898 4.6898 11.5256 11.5256 11.5269 11.5269 12.2079 12.2079 12.2160 12.2160 12.2441 12.2441 k = 0.0610 0.5000 0.2856 ( 4160 PWs) bands (ev): -33.1995 -33.1995 -33.1995 -33.1995 -16.6155 -16.6155 -16.6110 -16.6110 -14.3920 -14.3920 -14.3581 -14.3581 -14.0675 -14.0675 -14.0651 -14.0651 -13.8486 -13.8486 -13.8159 -13.8159 -7.7826 -7.7826 -7.7826 -7.7826 1.6446 1.6446 1.6541 1.6541 1.7553 1.7553 1.7690 1.7690 2.1582 2.1582 2.1628 2.1628 2.9730 2.9730 2.9748 2.9748 4.1480 4.1480 4.1676 4.1676 4.6708 4.6708 4.6859 4.6859 11.5428 11.5428 11.5444 11.5444 12.2128 12.2128 12.2221 12.2221 12.2524 12.2524 k = 0.0732 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1994 -33.1994 -33.1994 -33.1994 -16.6172 -16.6172 -16.6119 -16.6119 -14.3958 -14.3958 -14.3555 -14.3555 -14.0690 -14.0690 -14.0668 -14.0668 -13.8482 -13.8482 -13.8101 -13.8101 -7.7820 -7.7820 -7.7820 -7.7820 1.6141 1.6141 1.6219 1.6219 1.7548 1.7548 1.7667 1.7667 2.1984 2.1984 2.2030 2.2030 2.9740 2.9740 2.9762 2.9762 4.1320 4.1320 4.1552 4.1552 4.6631 4.6631 4.6808 4.6808 11.5633 11.5633 11.5652 11.5652 12.2191 12.2191 12.2292 12.2292 12.2625 12.2625 k = 0.0854 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1993 -33.1993 -33.1993 -33.1993 -16.6192 -16.6192 -16.6130 -16.6130 -14.3996 -14.3996 -14.3532 -14.3532 -14.0705 -14.0705 -14.0688 -14.0688 -13.8471 -13.8471 -13.8041 -13.8041 -7.7813 -7.7813 -7.7813 -7.7813 1.5811 1.5811 1.5874 1.5874 1.7570 1.7570 1.7673 1.7673 2.2393 2.2393 2.2439 2.2439 2.9751 2.9751 2.9777 2.9777 4.1141 4.1141 4.1407 4.1407 4.6543 4.6543 4.6745 4.6745 11.5870 11.5870 11.5892 11.5892 12.2267 12.2267 12.2374 12.2374 12.2744 12.2744 k = 0.0976 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1991 -33.1991 -33.1991 -33.1991 -16.6213 -16.6213 -16.6144 -16.6144 -14.4033 -14.4033 -14.3511 -14.3511 -14.0721 -14.0721 -14.0712 -14.0712 -13.8453 -13.8453 -13.7979 -13.7979 -7.7806 -7.7806 -7.7805 -7.7805 1.5470 1.5470 1.5522 1.5522 1.7606 1.7606 1.7698 1.7698 2.2805 2.2805 2.2852 2.2852 2.9763 2.9763 2.9794 2.9794 4.0946 4.0946 4.1244 4.1244 4.6444 4.6444 4.6669 4.6669 11.6134 11.6134 11.6160 11.6160 12.2356 12.2356 12.2467 12.2467 12.2877 12.2877 k = 0.1098 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1990 -33.1990 -33.1990 -33.1990 -16.6235 -16.6235 -16.6159 -16.6159 -14.4069 -14.4069 -14.3492 -14.3492 -14.0738 -14.0738 -14.0737 -14.0737 -13.8430 -13.8430 -13.7917 -13.7917 -7.7797 -7.7797 -7.7796 -7.7796 1.5125 1.5125 1.5170 1.5170 1.7653 1.7653 1.7736 1.7736 2.3217 2.3217 2.3265 2.3265 2.9775 2.9775 2.9810 2.9810 4.0737 4.0737 4.1066 4.1066 4.6335 4.6335 4.6582 4.6582 11.6423 11.6423 11.6452 11.6452 12.2456 12.2456 12.2572 12.2572 12.3024 12.3024 k = 0.1220 0.5000 0.2856 ( 4176 PWs) bands (ev): -33.1988 -33.1988 -33.1988 -33.1988 -16.6260 -16.6260 -16.6177 -16.6177 -14.4104 -14.4104 -14.3476 -14.3476 -14.0766 -14.0766 -14.0753 -14.0753 -13.8400 -13.8400 -13.7854 -13.7854 -7.7787 -7.7787 -7.7787 -7.7787 1.4783 1.4783 1.4821 1.4821 1.7706 1.7706 1.7783 1.7783 2.3626 2.3626 2.3675 2.3675 2.9787 2.9787 2.9827 2.9827 4.0517 4.0517 4.0876 4.0876 4.6217 4.6217 4.6482 4.6482 11.6732 11.6732 11.6764 11.6764 12.2569 12.2569 12.2687 12.2687 12.3184 12.3184 k = 0.1341 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1986 -33.1986 -33.1986 -33.1986 -16.6286 -16.6286 -16.6197 -16.6197 -14.4138 -14.4138 -14.3462 -14.3462 -14.0796 -14.0796 -14.0768 -14.0768 -13.8365 -13.8365 -13.7791 -13.7791 -7.7777 -7.7777 -7.7776 -7.7776 1.4445 1.4445 1.4479 1.4479 1.7766 1.7766 1.7837 1.7837 2.4031 2.4031 2.4081 2.4081 2.9798 2.9798 2.9843 2.9843 4.0291 4.0291 4.0678 4.0678 4.6088 4.6088 4.6372 4.6372 11.7058 11.7058 11.7093 11.7093 12.2693 12.2693 12.2813 12.2813 12.3354 12.3354 k = 0.1463 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1983 -33.1983 -33.1983 -33.1983 -16.6313 -16.6313 -16.6219 -16.6219 -14.4170 -14.4170 -14.3451 -14.3451 -14.0827 -14.0827 -14.0783 -14.0783 -13.8326 -13.8326 -13.7728 -13.7728 -7.7766 -7.7766 -7.7765 -7.7765 1.4114 1.4114 1.4145 1.4145 1.7830 1.7830 1.7896 1.7896 2.4429 2.4429 2.4480 2.4480 2.9806 2.9806 2.9856 2.9856 4.0062 4.0062 4.0475 4.0475 4.5951 4.5951 4.6251 4.6251 11.7396 11.7396 11.7434 11.7434 12.2827 12.2827 12.2948 12.2949 12.3535 12.3535 k = 0.1585 0.5000 0.2856 ( 4176 PWs) bands (ev): -33.1981 -33.1981 -33.1981 -33.1981 -16.6342 -16.6342 -16.6243 -16.6243 -14.4200 -14.4200 -14.3442 -14.3442 -14.0858 -14.0858 -14.0798 -14.0798 -13.8283 -13.8283 -13.7667 -13.7667 -7.7754 -7.7754 -7.7753 -7.7753 1.3792 1.3792 1.3820 1.3820 1.7898 1.7898 1.7960 1.7960 2.4818 2.4818 2.4872 2.4872 2.9812 2.9812 2.9867 2.9867 3.9832 3.9832 4.0271 4.0271 4.5805 4.5805 4.6120 4.6120 11.7740 11.7740 11.7782 11.7782 12.2970 12.2970 12.3093 12.3093 12.3724 12.3724 k = 0.1707 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1978 -33.1978 -33.1978 -33.1978 -16.6372 -16.6372 -16.6268 -16.6268 -14.4228 -14.4228 -14.3436 -14.3436 -14.0889 -14.0889 -14.0812 -14.0812 -13.8236 -13.8236 -13.7607 -13.7607 -7.7741 -7.7741 -7.7740 -7.7740 1.3480 1.3480 1.3505 1.3505 1.7968 1.7968 1.8027 1.8027 2.5199 2.5199 2.5254 2.5254 2.9814 2.9814 2.9874 2.9874 3.9607 3.9607 4.0070 4.0070 4.5650 4.5650 4.5979 4.5979 11.8088 11.8088 11.8133 11.8133 12.3123 12.3123 12.3247 12.3247 12.3922 12.3922 k = 0.1829 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1976 -33.1976 -33.1976 -33.1976 -16.6402 -16.6402 -16.6295 -16.6295 -14.4254 -14.4254 -14.3432 -14.3432 -14.0920 -14.0920 -14.0825 -14.0825 -13.8188 -13.8188 -13.7549 -13.7549 -7.7728 -7.7728 -7.7727 -7.7727 1.3178 1.3178 1.3201 1.3201 1.8039 1.8039 1.8096 1.8096 2.5568 2.5568 2.5625 2.5625 2.9812 2.9812 2.9876 2.9876 3.9390 3.9390 3.9874 3.9874 4.5488 4.5488 4.5829 4.5829 11.8434 11.8434 11.8483 11.8483 12.3285 12.3285 12.3410 12.3410 12.4128 12.4128 k = 0.1951 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1973 -33.1973 -33.1973 -33.1973 -16.6434 -16.6434 -16.6323 -16.6323 -14.4278 -14.4278 -14.3431 -14.3431 -14.0950 -14.0950 -14.0838 -14.0838 -13.8136 -13.8136 -13.7492 -13.7492 -7.7715 -7.7715 -7.7714 -7.7714 1.2888 1.2888 1.2910 1.2910 1.8112 1.8112 1.8166 1.8166 2.5925 2.5925 2.5984 2.5984 2.9803 2.9803 2.9872 2.9872 3.9184 3.9184 3.9689 3.9689 4.5319 4.5319 4.5672 4.5672 11.8775 11.8775 11.8826 11.8826 12.3456 12.3456 12.3581 12.3581 12.4340 12.4342 k = 0.2073 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1970 -33.1970 -33.1970 -33.1970 -16.6466 -16.6466 -16.6353 -16.6353 -14.4299 -14.4299 -14.3433 -14.3433 -14.0978 -14.0978 -14.0851 -14.0851 -13.8084 -13.8084 -13.7438 -13.7438 -7.7701 -7.7701 -7.7700 -7.7700 1.2609 1.2609 1.2630 1.2630 1.8184 1.8184 1.8236 1.8236 2.6268 2.6268 2.6331 2.6331 2.9788 2.9788 2.9860 2.9860 3.8993 3.8993 3.9517 3.9517 4.5143 4.5143 4.5507 4.5507 11.9104 11.9104 11.9159 11.9159 12.3635 12.3635 12.3761 12.3761 12.4558 12.4558 k = 0.2195 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1968 -33.1968 -33.1968 -33.1968 -16.6498 -16.6498 -16.6383 -16.6383 -14.4317 -14.4317 -14.3437 -14.3437 -14.1005 -14.1005 -14.0862 -14.0862 -13.8030 -13.8030 -13.7386 -13.7386 -7.7687 -7.7687 -7.7686 -7.7686 1.2343 1.2343 1.2362 1.2362 1.8256 1.8256 1.8306 1.8306 2.6598 2.6598 2.6663 2.6663 2.9766 2.9766 2.9841 2.9841 3.8820 3.8820 3.9362 3.9362 4.4961 4.4961 4.5336 4.5336 11.9419 11.9419 11.9478 11.9478 12.3822 12.3822 12.3948 12.3948 12.4781 12.4781 k = 0.2317 0.5000 0.2856 ( 4160 PWs) bands (ev): -33.1965 -33.1965 -33.1965 -33.1965 -16.6530 -16.6530 -16.6415 -16.6415 -14.4332 -14.4332 -14.3444 -14.3444 -14.1030 -14.1030 -14.0874 -14.0874 -13.7975 -13.7975 -13.7337 -13.7337 -7.7672 -7.7672 -7.7671 -7.7671 1.2089 1.2089 1.2108 1.2108 1.8326 1.8326 1.8374 1.8374 2.6912 2.6912 2.6980 2.6980 2.9736 2.9736 2.9812 2.9812 3.8668 3.8668 3.9226 3.9226 4.4775 4.4775 4.5159 4.5159 11.9717 11.9717 11.9779 11.9779 12.4017 12.4017 12.4143 12.4143 12.5008 12.5008 k = 0.2439 0.5000 0.2856 ( 4152 PWs) bands (ev): -33.1962 -33.1962 -33.1962 -33.1962 -16.6563 -16.6563 -16.6447 -16.6447 -14.4344 -14.4344 -14.3453 -14.3453 -14.1053 -14.1053 -14.0885 -14.0885 -13.7920 -13.7920 -13.7290 -13.7290 -7.7658 -7.7658 -7.7657 -7.7657 1.1848 1.1848 1.1866 1.1866 1.8393 1.8393 1.8439 1.8439 2.7209 2.7209 2.7281 2.7281 2.9699 2.9699 2.9774 2.9774 3.8540 3.8540 3.9111 3.9111 4.4584 4.4584 4.4977 4.4977 11.9996 11.9996 12.0061 12.0061 12.4218 12.4218 12.4344 12.4344 12.5235 12.5235 k = 0.2561 0.5000 0.2856 ( 4148 PWs) bands (ev): -33.1959 -33.1959 -33.1959 -33.1959 -16.6595 -16.6595 -16.6480 -16.6480 -14.4354 -14.4354 -14.3464 -14.3464 -14.1073 -14.1073 -14.0895 -14.0895 -13.7864 -13.7864 -13.7246 -13.7246 -7.7643 -7.7643 -7.7642 -7.7642 1.1620 1.1620 1.1637 1.1637 1.8458 1.8458 1.8502 1.8502 2.7489 2.7489 2.7566 2.7566 2.9655 2.9655 2.9726 2.9726 3.8437 3.8437 3.9020 3.9020 4.4389 4.4389 4.4791 4.4791 12.0255 12.0255 12.0322 12.0322 12.4423 12.4423 12.4549 12.4549 12.5459 12.5459 k = 0.2683 0.5000 0.2856 ( 4148 PWs) bands (ev): -33.1956 -33.1956 -33.1956 -33.1956 -16.6627 -16.6627 -16.6513 -16.6513 -14.4361 -14.4361 -14.3478 -14.3478 -14.1092 -14.1092 -14.0906 -14.0906 -13.7809 -13.7809 -13.7206 -13.7206 -7.7629 -7.7629 -7.7628 -7.7628 1.1405 1.1405 1.1421 1.1421 1.8518 1.8518 1.8560 1.8560 2.7750 2.7750 2.7833 2.7833 2.9604 2.9604 2.9670 2.9670 3.8360 3.8360 3.8952 3.8952 4.4191 4.4191 4.4602 4.4602 12.0492 12.0492 12.0561 12.0561 12.4630 12.4630 12.4754 12.4754 12.5677 12.5677 k = 0.2805 0.5000 0.2856 ( 4156 PWs) bands (ev): -33.1953 -33.1953 -33.1953 -33.1953 -16.6659 -16.6659 -16.6546 -16.6546 -14.4364 -14.4364 -14.3494 -14.3494 -14.1108 -14.1108 -14.0916 -14.0916 -13.7755 -13.7755 -13.7169 -13.7169 -7.7614 -7.7614 -7.7614 -7.7614 1.1203 1.1203 1.1219 1.1219 1.8574 1.8574 1.8614 1.8614 2.7991 2.7991 2.8081 2.8081 2.9551 2.9551 2.9607 2.9607 3.8311 3.8311 3.8910 3.8910 4.3991 4.3991 4.4410 4.4410 12.0711 12.0711 12.0781 12.0781 12.4834 12.4834 12.4957 12.4957 12.5881 12.5882 k = 0.2927 0.5000 0.2856 ( 4156 PWs) bands (ev): -33.1950 -33.1950 -33.1950 -33.1950 -16.6689 -16.6689 -16.6579 -16.6579 -14.4365 -14.4365 -14.3512 -14.3512 -14.1122 -14.1122 -14.0926 -14.0926 -13.7702 -13.7702 -13.7134 -13.7134 -7.7600 -7.7600 -7.7599 -7.7599 1.1014 1.1014 1.1029 1.1029 1.8626 1.8626 1.8664 1.8664 2.8208 2.8208 2.8309 2.8309 2.9498 2.9498 2.9540 2.9540 3.8288 3.8288 3.8892 3.8892 4.3789 4.3789 4.4215 4.4215 12.0912 12.0912 12.0983 12.0983 12.5032 12.5032 12.5154 12.5154 12.6068 12.6068 k = 0.3049 0.5000 0.2856 ( 4160 PWs) bands (ev): -33.1948 -33.1948 -33.1948 -33.1948 -16.6719 -16.6719 -16.6612 -16.6612 -14.4363 -14.4363 -14.3532 -14.3532 -14.1134 -14.1134 -14.0936 -14.0936 -13.7649 -13.7649 -13.7104 -13.7104 -7.7587 -7.7587 -7.7586 -7.7586 1.0838 1.0838 1.0852 1.0852 1.8672 1.8672 1.8708 1.8708 2.8395 2.8395 2.8511 2.8511 2.9453 2.9453 2.9475 2.9475 3.8291 3.8291 3.8898 3.8898 4.3586 4.3586 4.4019 4.4019 12.1099 12.1099 12.1169 12.1169 12.5218 12.5218 12.5339 12.5339 12.6231 12.6231 k = 0.3171 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1945 -33.1945 -33.1945 -33.1945 -16.6748 -16.6748 -16.6644 -16.6644 -14.4358 -14.4358 -14.3554 -14.3554 -14.1144 -14.1144 -14.0945 -14.0945 -13.7598 -13.7598 -13.7076 -13.7076 -7.7573 -7.7573 -7.7572 -7.7572 1.0675 1.0675 1.0688 1.0688 1.8713 1.8713 1.8746 1.8746 2.8543 2.8543 2.8680 2.8680 2.9422 2.9422 2.9427 2.9427 3.8319 3.8319 3.8926 3.8926 4.3382 4.3382 4.3822 4.3822 12.1273 12.1273 12.1343 12.1343 12.5387 12.5387 12.5505 12.5505 12.6368 12.6369 k = 0.3293 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1942 -33.1942 -33.1942 -33.1942 -16.6775 -16.6775 -16.6676 -16.6676 -14.4350 -14.4350 -14.3577 -14.3577 -14.1151 -14.1151 -14.0955 -14.0955 -13.7547 -13.7547 -13.7052 -13.7052 -7.7560 -7.7560 -7.7559 -7.7559 1.0524 1.0524 1.0537 1.0537 1.8748 1.8748 1.8779 1.8779 2.8640 2.8640 2.8797 2.8797 2.9402 2.9402 2.9434 2.9434 3.8370 3.8370 3.8975 3.8975 4.3178 4.3178 4.3625 4.3625 12.1438 12.1438 12.1507 12.1507 12.5531 12.5531 12.5645 12.5645 12.6483 12.6483 k = 0.3415 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1940 -33.1940 -33.1940 -33.1940 -16.6802 -16.6802 -16.6707 -16.6707 -14.4339 -14.4339 -14.3603 -14.3603 -14.1156 -14.1156 -14.0965 -14.0965 -13.7499 -13.7499 -13.7031 -13.7031 -7.7548 -7.7548 -7.7547 -7.7547 1.0386 1.0386 1.0398 1.0398 1.8777 1.8777 1.8807 1.8807 2.8680 2.8680 2.8842 2.8842 2.9437 2.9437 2.9482 2.9482 3.8441 3.8441 3.9044 3.9044 4.2974 4.2974 4.3428 4.3428 12.1596 12.1596 12.1665 12.1665 12.5641 12.5641 12.5748 12.5748 12.6582 12.6582 k = 0.3537 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1938 -33.1938 -33.1938 -33.1938 -16.6826 -16.6826 -16.6736 -16.6736 -14.4326 -14.4326 -14.3629 -14.3629 -14.1160 -14.1160 -14.0974 -14.0974 -13.7451 -13.7451 -13.7013 -13.7013 -7.7536 -7.7536 -7.7535 -7.7535 1.0260 1.0260 1.0271 1.0271 1.8801 1.8801 1.8829 1.8829 2.8671 2.8671 2.8821 2.8821 2.9523 2.9523 2.9566 2.9566 3.8530 3.8530 3.9130 3.9130 4.2770 4.2770 4.3231 4.3231 12.1751 12.1751 12.1818 12.1818 12.5707 12.5707 12.5802 12.5802 12.6677 12.6677 k = 0.3659 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1935 -33.1935 -33.1935 -33.1935 -16.6849 -16.6849 -16.6765 -16.6765 -14.4310 -14.4310 -14.3657 -14.3657 -14.1161 -14.1161 -14.0984 -14.0984 -13.7406 -13.7406 -13.6999 -13.6999 -7.7525 -7.7525 -7.7524 -7.7524 1.0145 1.0145 1.0156 1.0156 1.8820 1.8820 1.8845 1.8845 2.8632 2.8632 2.8764 2.8764 2.9634 2.9634 2.9667 2.9667 3.8636 3.8636 3.9231 3.9231 4.2568 4.2568 4.3035 4.3035 12.1904 12.1904 12.1969 12.1969 12.5724 12.5724 12.5804 12.5804 12.6776 12.6776 k = 0.3780 0.5000 0.2856 ( 4180 PWs) bands (ev): -33.1933 -33.1933 -33.1933 -33.1933 -16.6870 -16.6870 -16.6792 -16.6792 -14.4292 -14.4292 -14.3687 -14.3687 -14.1161 -14.1161 -14.0994 -14.0994 -13.7363 -13.7363 -13.6988 -13.6988 -7.7514 -7.7514 -7.7513 -7.7513 1.0043 1.0043 1.0053 1.0053 1.8834 1.8834 1.8857 1.8857 2.8577 2.8577 2.8692 2.8692 2.9749 2.9749 2.9775 2.9775 3.8755 3.8755 3.9345 3.9345 4.2367 4.2367 4.2840 4.2840 12.2058 12.2058 12.2121 12.2121 12.5689 12.5689 12.5754 12.5754 12.6880 12.6880 k = 0.3902 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1931 -33.1931 -33.1931 -33.1931 -16.6888 -16.6888 -16.6817 -16.6817 -14.4271 -14.4271 -14.3717 -14.3717 -14.1160 -14.1160 -14.1004 -14.1004 -13.7321 -13.7321 -13.6980 -13.6980 -7.7504 -7.7504 -7.7504 -7.7504 0.9951 0.9951 0.9961 0.9961 1.8844 1.8844 1.8865 1.8865 2.8516 2.8516 2.8615 2.8615 2.9860 2.9860 2.9879 2.9879 3.8886 3.8886 3.9470 3.9470 4.2169 4.2169 4.2646 4.2646 12.2214 12.2214 12.2275 12.2275 12.5610 12.5610 12.5663 12.5663 12.6986 12.6986 k = 0.4024 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1930 -33.1930 -33.1930 -33.1930 -16.6905 -16.6905 -16.6841 -16.6841 -14.4249 -14.4249 -14.3748 -14.3748 -14.1156 -14.1156 -14.1014 -14.1014 -13.7281 -13.7281 -13.6975 -13.6975 -7.7496 -7.7496 -7.7495 -7.7495 0.9870 0.9870 0.9879 0.9879 1.8851 1.8851 1.8869 1.8869 2.8455 2.8455 2.8540 2.8540 2.9962 2.9962 2.9977 2.9977 3.9028 3.9028 3.9604 3.9604 4.1972 4.1972 4.2454 4.2454 12.2373 12.2373 12.2432 12.2432 12.5494 12.5494 12.5539 12.5539 12.7092 12.7124 k = 0.4146 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1928 -33.1928 -33.1928 -33.1928 -16.6919 -16.6919 -16.6863 -16.6863 -14.4224 -14.4224 -14.3780 -14.3780 -14.1152 -14.1152 -14.1024 -14.1024 -13.7244 -13.7244 -13.6974 -13.6974 -7.7488 -7.7488 -7.7487 -7.7487 0.9800 0.9800 0.9808 0.9808 1.8854 1.8854 1.8870 1.8870 2.8397 2.8397 2.8470 2.8470 3.0055 3.0055 3.0066 3.0066 3.9177 3.9177 3.9746 3.9746 4.1778 4.1778 4.2264 4.2264 12.2537 12.2537 12.2593 12.2593 12.5350 12.5350 12.5389 12.5389 12.7188 12.7191 k = 0.4268 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1927 -33.1927 -33.1927 -33.1927 -16.6932 -16.6932 -16.6882 -16.6882 -14.4198 -14.4198 -14.3813 -14.3813 -14.1146 -14.1146 -14.1035 -14.1035 -13.7208 -13.7208 -13.6975 -13.6975 -7.7481 -7.7481 -7.7480 -7.7480 0.9740 0.9740 0.9747 0.9747 1.8855 1.8855 1.8869 1.8869 2.8345 2.8345 2.8405 2.8405 3.0136 3.0136 3.0145 3.0145 3.9333 3.9333 3.9892 3.9892 4.1588 4.1588 4.2076 4.2076 12.2705 12.2705 12.2759 12.2759 12.5185 12.5185 12.5220 12.5220 12.7276 12.7294 k = 0.4390 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1925 -33.1925 -33.1925 -33.1925 -16.6941 -16.6941 -16.6900 -16.6900 -14.4170 -14.4170 -14.3846 -14.3846 -14.1140 -14.1140 -14.1045 -14.1045 -13.7175 -13.7175 -13.6980 -13.6980 -7.7475 -7.7475 -7.7474 -7.7474 0.9690 0.9690 0.9696 0.9696 1.8855 1.8855 1.8866 1.8866 2.8300 2.8300 2.8349 2.8349 3.0205 3.0205 3.0212 3.0212 3.9495 3.9495 4.0041 4.0041 4.1403 4.1403 4.1891 4.1891 12.2878 12.2878 12.2928 12.2928 12.5005 12.5005 12.5038 12.5038 12.7356 12.7361 k = 0.4512 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1924 -33.1924 -33.1924 -33.1924 -16.6948 -16.6948 -16.6915 -16.6915 -14.4141 -14.4141 -14.3880 -14.3880 -14.1132 -14.1132 -14.1055 -14.1055 -13.7144 -13.7144 -13.6987 -13.6987 -7.7470 -7.7470 -7.7470 -7.7470 0.9650 0.9650 0.9655 0.9655 1.8854 1.8854 1.8863 1.8863 2.8262 2.8262 2.8301 2.8301 3.0262 3.0262 3.0267 3.0267 3.9660 3.9660 4.0188 4.0188 4.1227 4.1227 4.1708 4.1708 12.3054 12.3054 12.3102 12.3102 12.4818 12.4818 12.4849 12.4850 12.7419 12.7427 k = 0.4634 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1924 -33.1924 -33.1924 -33.1924 -16.6953 -16.6953 -16.6928 -16.6928 -14.4111 -14.4111 -14.3914 -14.3914 -14.1124 -14.1124 -14.1066 -14.1066 -13.7116 -13.7116 -13.6998 -13.6998 -7.7466 -7.7466 -7.7466 -7.7466 0.9619 0.9619 0.9623 0.9623 1.8852 1.8852 1.8859 1.8859 2.8234 2.8234 2.8262 2.8262 3.0306 3.0306 3.0310 3.0310 3.9827 3.9827 4.0323 4.0323 4.1069 4.1069 4.1530 4.1530 12.3231 12.3231 12.3274 12.3274 12.4629 12.4629 12.4660 12.4660 12.7470 12.7475 k = 0.4756 0.5000 0.2856 ( 4156 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6938 -16.6938 -14.4079 -14.4079 -14.3947 -14.3947 -14.1115 -14.1115 -14.1076 -14.1076 -13.7090 -13.7090 -13.7011 -13.7011 -7.7463 -7.7463 -7.7463 -7.7463 0.9597 0.9597 0.9600 0.9600 1.8851 1.8851 1.8856 1.8856 2.8214 2.8214 2.8233 2.8233 3.0338 3.0338 3.0341 3.0341 3.9994 3.9994 4.0417 4.0417 4.0957 4.0957 4.1356 4.1356 12.3402 12.3402 12.3439 12.3439 12.4453 12.4453 12.4481 12.4481 12.7506 12.7506 k = 0.4878 0.5000 0.2856 ( 4172 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6947 -16.6947 -14.4047 -14.4047 -14.3981 -14.3981 -14.1106 -14.1106 -14.1086 -14.1086 -13.7066 -13.7066 -13.7027 -13.7027 -7.7462 -7.7462 -7.7461 -7.7461 0.9584 0.9584 0.9586 0.9586 1.8851 1.8851 1.8853 1.8853 2.8204 2.8204 2.8213 2.8213 3.0358 3.0358 3.0359 3.0359 4.0157 4.0157 4.0412 4.0412 4.0949 4.0949 4.1192 4.1192 12.3547 12.3547 12.3571 12.3571 12.4309 12.4309 12.4329 12.4329 12.7529 12.7529 k = 0.5000 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4014 -14.4014 -14.4014 -14.4014 -14.1096 -14.1096 -14.1096 -14.1096 -13.7045 -13.7045 -13.7045 -13.7045 -7.7461 -7.7461 -7.7461 -7.7461 0.9581 0.9581 0.9581 0.9581 1.8852 1.8852 1.8852 1.8852 2.8204 2.8204 2.8204 2.8204 3.0365 3.0365 3.0365 3.0365 4.0306 4.0306 4.0306 4.0306 4.1046 4.1046 4.1046 4.1046 12.3620 12.3620 12.3620 12.3620 12.4255 12.4255 12.4255 12.4255 12.7538 12.7538 k = 0.5000 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4014 -14.4014 -14.4014 -14.4014 -14.1096 -14.1096 -14.1096 -14.1096 -13.7045 -13.7045 -13.7045 -13.7045 -7.7461 -7.7461 -7.7461 -7.7461 0.9581 0.9581 0.9581 0.9581 1.8852 1.8852 1.8852 1.8852 2.8204 2.8204 2.8204 2.8204 3.0365 3.0365 3.0365 3.0365 4.0306 4.0306 4.0306 4.0306 4.1046 4.1046 4.1046 4.1046 12.3620 12.3620 12.3620 12.3620 12.4255 12.4255 12.4255 12.4255 12.7538 12.7538 k = 0.4914 0.4914 0.2856 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6956 -16.6956 -16.6946 -16.6946 -14.4047 -14.4047 -14.3981 -14.3981 -14.1106 -14.1106 -14.1086 -14.1086 -13.7066 -13.7066 -13.7027 -13.7027 -7.7464 -7.7464 -7.7459 -7.7459 0.9578 0.9578 0.9592 0.9592 1.8851 1.8851 1.8853 1.8853 2.8204 2.8204 2.8214 2.8214 3.0351 3.0351 3.0366 3.0366 4.0151 4.0151 4.0423 4.0423 4.0939 4.0939 4.1196 4.1196 12.3510 12.3510 12.3615 12.3615 12.4261 12.4261 12.4370 12.4370 12.7528 12.7532 k = 0.4828 0.4828 0.2856 ( 4160 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6960 -16.6960 -16.6934 -16.6934 -14.4079 -14.4079 -14.3947 -14.3947 -14.1115 -14.1115 -14.1076 -14.1076 -13.7090 -13.7090 -13.7010 -13.7010 -7.7473 -7.7473 -7.7453 -7.7453 0.9570 0.9570 0.9627 0.9627 1.8851 1.8851 1.8856 1.8856 2.8212 2.8212 2.8235 2.8235 3.0309 3.0309 3.0371 3.0371 3.9960 3.9960 4.0510 4.0510 4.0873 4.0873 4.1381 4.1381 12.3292 12.3292 12.3594 12.3594 12.4282 12.4282 12.4604 12.4604 12.7501 12.7501 k = 0.4741 0.4741 0.2856 ( 4160 PWs) bands (ev): -33.1924 -33.1924 -33.1923 -33.1923 -16.6967 -16.6967 -16.6914 -16.6914 -14.4111 -14.4111 -14.3913 -14.3913 -14.1125 -14.1125 -14.1065 -14.1065 -13.7117 -13.7117 -13.6996 -13.6996 -7.7488 -7.7488 -7.7444 -7.7444 0.9558 0.9558 0.9684 0.9684 1.8852 1.8852 1.8860 1.8860 2.8227 2.8227 2.8269 2.8269 3.0239 3.0239 3.0378 3.0378 3.9742 3.9742 4.0581 4.0581 4.0839 4.0839 4.1587 4.1587 12.3046 12.3046 12.3559 12.3559 12.4317 12.4317 12.4874 12.4874 12.7456 12.7456 k = 0.4655 0.4655 0.2856 ( 4164 PWs) bands (ev): -33.1926 -33.1926 -33.1923 -33.1923 -16.6976 -16.6976 -16.6887 -16.6887 -14.4142 -14.4142 -14.3879 -14.3879 -14.1133 -14.1133 -14.1055 -14.1055 -13.7147 -13.7147 -13.6985 -13.6985 -7.7509 -7.7509 -7.7431 -7.7431 0.9542 0.9542 0.9764 0.9764 1.8854 1.8854 1.8863 1.8863 2.8249 2.8249 2.8314 2.8314 3.0142 3.0142 3.0388 3.0388 3.9505 3.9505 4.0645 4.0645 4.0827 4.0827 4.1805 4.1805 12.2798 12.2798 12.3510 12.3510 12.4366 12.4366 12.5152 12.5152 12.7411 12.7439 k = 0.4569 0.4569 0.2856 ( 4164 PWs) bands (ev): -33.1927 -33.1927 -33.1923 -33.1923 -16.6987 -16.6987 -16.6853 -16.6853 -14.4173 -14.4173 -14.3844 -14.3844 -14.1142 -14.1142 -14.1043 -14.1043 -13.7180 -13.7180 -13.6975 -13.6975 -7.7536 -7.7536 -7.7414 -7.7414 0.9523 0.9523 0.9867 0.9867 1.8855 1.8855 1.8867 1.8867 2.8277 2.8277 2.8372 2.8372 3.0017 3.0017 3.0402 3.0402 3.9255 3.9255 4.0708 4.0708 4.0832 4.0832 4.2031 4.2031 12.2554 12.2554 12.3447 12.3447 12.4428 12.4428 12.5430 12.5430 12.7323 12.7368 k = 0.4483 0.4483 0.2856 ( 4156 PWs) bands (ev): -33.1929 -33.1929 -33.1924 -33.1924 -16.7001 -16.7001 -16.6811 -16.6811 -14.4202 -14.4202 -14.3809 -14.3809 -14.1150 -14.1150 -14.1032 -14.1032 -13.7216 -13.7216 -13.6967 -13.6967 -7.7570 -7.7570 -7.7393 -7.7393 0.9503 0.9503 0.9992 0.9992 1.8854 1.8854 1.8871 1.8871 2.8310 2.8310 2.8442 2.8442 2.9867 2.9867 3.0419 3.0419 3.8997 3.8997 4.0772 4.0772 4.0853 4.0853 4.2261 4.2261 12.2317 12.2317 12.3370 12.3370 12.4503 12.4503 12.5701 12.5701 12.7219 12.7294 k = 0.4397 0.4397 0.2856 ( 4156 PWs) bands (ev): -33.1932 -33.1932 -33.1924 -33.1924 -16.7017 -16.7017 -16.6761 -16.6761 -14.4231 -14.4231 -14.3775 -14.3775 -14.1157 -14.1157 -14.1020 -14.1020 -13.7256 -13.7256 -13.6960 -13.6960 -7.7609 -7.7609 -7.7370 -7.7370 0.9481 0.9481 1.0140 1.0140 1.8851 1.8851 1.8874 1.8874 2.8348 2.8348 2.8522 2.8522 2.9691 2.9691 3.0440 3.0440 3.8731 3.8731 4.0839 4.0839 4.0887 4.0887 4.2493 4.2493 12.2087 12.2087 12.3276 12.3276 12.4591 12.4591 12.5957 12.5957 12.7106 12.7107 k = 0.4310 0.4310 0.2856 ( 4152 PWs) bands (ev): -33.1935 -33.1935 -33.1925 -33.1925 -16.7036 -16.7036 -16.6705 -16.6705 -14.4258 -14.4258 -14.3740 -14.3740 -14.1165 -14.1165 -14.1008 -14.1008 -13.7299 -13.7299 -13.6955 -13.6955 -7.7654 -7.7654 -7.7343 -7.7343 0.9461 0.9461 1.0310 1.0310 1.8843 1.8843 1.8879 1.8879 2.8391 2.8391 2.8612 2.8612 2.9492 2.9492 3.0466 3.0466 3.8461 3.8461 4.0903 4.0903 4.0942 4.0942 4.2727 4.2727 12.1865 12.1865 12.3168 12.3168 12.4692 12.4692 12.6193 12.6193 12.6979 12.6981 k = 0.4224 0.4224 0.2856 ( 4158 PWs) bands (ev): -33.1938 -33.1938 -33.1925 -33.1925 -16.7057 -16.7057 -16.6641 -16.6641 -14.4285 -14.4285 -14.3706 -14.3706 -14.1172 -14.1172 -14.0996 -14.0996 -13.7346 -13.7346 -13.6952 -13.6952 -7.7706 -7.7706 -7.7313 -7.7313 0.9442 0.9442 1.0501 1.0501 1.8830 1.8830 1.8885 1.8885 2.8436 2.8436 2.8709 2.8709 2.9271 2.9271 3.0496 3.0496 3.8187 3.8187 4.0961 4.0961 4.1020 4.1020 4.2962 4.2962 12.1648 12.1648 12.3045 12.3045 12.4804 12.4804 12.6402 12.6402 12.6841 12.6843 k = 0.4138 0.4138 0.2856 ( 4164 PWs) bands (ev): -33.1941 -33.1941 -33.1926 -33.1926 -16.7080 -16.7080 -16.6569 -16.6569 -14.4312 -14.4312 -14.3672 -14.3672 -14.1178 -14.1178 -14.0983 -14.0983 -13.7396 -13.7396 -13.6949 -13.6949 -7.7763 -7.7763 -7.7280 -7.7280 0.9427 0.9427 1.0714 1.0714 1.8809 1.8809 1.8891 1.8891 2.8480 2.8480 2.8806 2.8806 2.9040 2.9040 3.0532 3.0532 3.7909 3.7909 4.1023 4.1023 4.1112 4.1112 4.3198 4.3198 12.1441 12.1441 12.2907 12.2907 12.4928 12.4928 12.6553 12.6553 12.6715 12.6715 k = 0.4052 0.4052 0.2856 ( 4164 PWs) bands (ev): -33.1945 -33.1945 -33.1926 -33.1926 -16.7105 -16.7105 -16.6491 -16.6491 -14.4337 -14.4337 -14.3638 -14.3638 -14.1184 -14.1184 -14.0970 -14.0970 -13.7450 -13.7450 -13.6948 -13.6948 -7.7826 -7.7826 -7.7244 -7.7244 0.9417 0.9417 1.0948 1.0948 1.8780 1.8780 1.8898 1.8898 2.8507 2.8507 2.8755 2.8755 2.8963 2.8963 3.0573 3.0573 3.7630 3.7630 4.1093 4.1093 4.1214 4.1214 4.3433 4.3433 12.1240 12.1240 12.2755 12.2755 12.5062 12.5062 12.6481 12.6481 12.6764 12.6765 k = 0.3966 0.3966 0.2856 ( 4156 PWs) bands (ev): -33.1949 -33.1949 -33.1927 -33.1927 -16.7132 -16.7132 -16.6406 -16.6406 -14.4360 -14.4360 -14.3604 -14.3604 -14.1189 -14.1189 -14.0957 -14.0957 -13.7508 -13.7508 -13.6947 -13.6947 -7.7895 -7.7895 -7.7206 -7.7206 0.9413 0.9413 1.1204 1.1204 1.8743 1.8743 1.8906 1.8906 2.8384 2.8384 2.8654 2.8654 2.9071 2.9071 3.0622 3.0622 3.7349 3.7349 4.1171 4.1171 4.1327 4.1327 4.3669 4.3669 12.1045 12.1045 12.2591 12.2591 12.5206 12.5206 12.6309 12.6309 12.6858 12.6859 k = 0.3879 0.3879 0.2856 ( 4160 PWs) bands (ev): -33.1953 -33.1953 -33.1928 -33.1928 -16.7161 -16.7161 -16.6313 -16.6313 -14.4383 -14.4383 -14.3571 -14.3571 -14.1194 -14.1194 -14.0944 -14.0944 -13.7569 -13.7569 -13.6948 -13.6948 -7.7971 -7.7971 -7.7166 -7.7166 0.9415 0.9415 1.1479 1.1479 1.8697 1.8697 1.8915 1.8915 2.8100 2.8100 2.8685 2.8685 2.9194 2.9194 3.0679 3.0679 3.7069 3.7069 4.1257 4.1257 4.1450 4.1450 4.3904 4.3904 12.0855 12.0855 12.2416 12.2416 12.5359 12.5359 12.6123 12.6123 12.6886 12.6896 k = 0.3793 0.3793 0.2856 ( 4160 PWs) bands (ev): -33.1958 -33.1958 -33.1929 -33.1929 -16.7192 -16.7192 -16.6215 -16.6215 -14.4405 -14.4405 -14.3539 -14.3539 -14.1199 -14.1199 -14.0930 -14.0930 -13.7634 -13.7634 -13.6949 -13.6949 -7.8051 -7.8051 -7.7124 -7.7124 0.9426 0.9426 1.1774 1.1774 1.8640 1.8640 1.8925 1.8925 2.7777 2.7777 2.8734 2.8734 2.9323 2.9323 3.0744 3.0744 3.6789 3.6789 4.1350 4.1350 4.1584 4.1584 4.4139 4.4139 12.0668 12.0668 12.2232 12.2232 12.5515 12.5515 12.5931 12.5931 12.6846 12.6848 k = 0.3707 0.3707 0.2856 ( 4164 PWs) bands (ev): -33.1963 -33.1963 -33.1930 -33.1930 -16.7224 -16.7224 -16.6110 -16.6110 -14.4426 -14.4426 -14.3508 -14.3508 -14.1202 -14.1202 -14.0917 -14.0917 -13.7702 -13.7702 -13.6951 -13.6951 -7.8138 -7.8138 -7.7080 -7.7080 0.9446 0.9446 1.2089 1.2089 1.8575 1.8575 1.8936 1.8936 2.7432 2.7432 2.8786 2.8786 2.9455 2.9455 3.0820 3.0820 3.6512 3.6512 4.1451 4.1451 4.1729 4.1729 4.4372 4.4372 12.0485 12.0485 12.2042 12.2042 12.5621 12.5621 12.5791 12.5791 12.6782 12.6782 k = 0.3621 0.3621 0.2856 ( 4156 PWs) bands (ev): -33.1968 -33.1968 -33.1930 -33.1930 -16.7258 -16.7258 -16.5998 -16.5998 -14.4445 -14.4445 -14.3477 -14.3477 -14.1205 -14.1205 -14.0903 -14.0903 -13.7774 -13.7774 -13.6953 -13.6953 -7.8230 -7.8230 -7.7035 -7.7035 0.9475 0.9475 1.2423 1.2423 1.8499 1.8499 1.8947 1.8947 2.7070 2.7070 2.8836 2.8836 2.9590 2.9590 3.0905 3.0905 3.6238 3.6238 4.1560 4.1560 4.1885 4.1885 4.4603 4.4603 12.0304 12.0304 12.1849 12.1849 12.5477 12.5477 12.5904 12.5904 12.6705 12.6705 k = 0.3534 0.3534 0.2856 ( 4160 PWs) bands (ev): -33.1974 -33.1974 -33.1931 -33.1931 -16.7293 -16.7293 -16.5881 -16.5881 -14.4464 -14.4464 -14.3448 -14.3448 -14.1207 -14.1207 -14.0888 -14.0888 -13.7849 -13.7849 -13.6956 -13.6956 -7.8328 -7.8328 -7.6989 -7.6989 0.9513 0.9513 1.2775 1.2775 1.8413 1.8413 1.8960 1.8960 2.6693 2.6693 2.8883 2.8883 2.9725 2.9725 3.1003 3.1003 3.5967 3.5967 4.1675 4.1675 4.2052 4.2052 4.4831 4.4831 12.0123 12.0123 12.1657 12.1657 12.5273 12.5273 12.6082 12.6082 12.6612 12.6612 k = 0.3448 0.3448 0.2856 ( 4156 PWs) bands (ev): -33.1979 -33.1979 -33.1932 -33.1932 -16.7330 -16.7330 -16.5757 -16.5757 -14.4481 -14.4481 -14.3419 -14.3419 -14.1208 -14.1208 -14.0874 -14.0874 -13.7928 -13.7928 -13.6960 -13.6960 -7.8430 -7.8430 -7.6942 -7.6942 0.9562 0.9562 1.3144 1.3144 1.8318 1.8318 1.8973 1.8973 2.6302 2.6302 2.8926 2.8926 2.9860 2.9860 3.1112 3.1112 3.5702 3.5702 4.1796 4.1796 4.2229 4.2229 4.5056 4.5056 11.9940 11.9940 12.1468 12.1468 12.5063 12.5063 12.6271 12.6271 12.6497 12.6497 k = 0.3362 0.3362 0.2856 ( 4156 PWs) bands (ev): -33.1985 -33.1985 -33.1933 -33.1933 -16.7368 -16.7368 -16.5628 -16.5628 -14.4497 -14.4497 -14.3392 -14.3392 -14.1209 -14.1209 -14.0860 -14.0860 -13.8009 -13.8009 -13.6964 -13.6964 -7.8538 -7.8538 -7.6894 -7.6894 0.9621 0.9621 1.3531 1.3531 1.8214 1.8214 1.8987 1.8987 2.5899 2.5899 2.8965 2.8965 2.9996 2.9996 3.1233 3.1233 3.5443 3.5443 4.1925 4.1925 4.2416 4.2416 4.5277 4.5277 11.9756 11.9756 12.1285 12.1285 12.4856 12.4856 12.6360 12.6360 12.6457 12.6457 k = 0.3276 0.3276 0.2856 ( 4156 PWs) bands (ev): -33.1992 -33.1992 -33.1934 -33.1934 -16.7407 -16.7407 -16.5494 -16.5494 -14.4511 -14.4511 -14.3366 -14.3366 -14.1208 -14.1208 -14.0845 -14.0845 -13.8094 -13.8094 -13.6969 -13.6969 -7.8651 -7.8651 -7.6845 -7.6845 0.9691 0.9691 1.3934 1.3934 1.8101 1.8101 1.9003 1.9003 2.5486 2.5486 2.8998 2.8998 3.0131 3.0131 3.1367 3.1367 3.5192 3.5192 4.2059 4.2059 4.2611 4.2611 4.5492 4.5492 11.9569 11.9569 12.1111 12.1111 12.4654 12.4654 12.6207 12.6207 12.6448 12.6454 k = 0.3190 0.3190 0.2856 ( 4156 PWs) bands (ev): -33.1998 -33.1998 -33.1936 -33.1936 -16.7447 -16.7447 -16.5354 -16.5354 -14.4525 -14.4525 -14.3342 -14.3342 -14.1206 -14.1206 -14.0830 -14.0830 -13.8182 -13.8182 -13.6974 -13.6974 -7.8769 -7.8769 -7.6797 -7.6797 0.9770 0.9770 1.4352 1.4352 1.7979 1.7979 1.9019 1.9019 2.5064 2.5064 2.9025 2.9025 3.0267 3.0267 3.1513 3.1513 3.4950 3.4950 4.2199 4.2199 4.2814 4.2814 4.5700 4.5700 11.9377 11.9377 12.0949 12.0949 12.4462 12.4462 12.6047 12.6047 12.6266 12.6266 k = 0.3103 0.3103 0.2856 ( 4150 PWs) bands (ev): -33.2004 -33.2004 -33.1937 -33.1937 -16.7488 -16.7488 -16.5210 -16.5210 -14.4536 -14.4536 -14.3319 -14.3319 -14.1203 -14.1203 -14.0815 -14.0815 -13.8272 -13.8272 -13.6980 -13.6980 -7.8891 -7.8891 -7.6748 -7.6748 0.9859 0.9859 1.4785 1.4785 1.7850 1.7850 1.9037 1.9037 2.4635 2.4635 2.9047 2.9047 3.0404 3.0404 3.1670 3.1670 3.4717 3.4717 4.2344 4.2344 4.3023 4.3023 4.5901 4.5901 11.9181 11.9181 12.0801 12.0801 12.4281 12.4281 12.5887 12.5887 12.6061 12.6061 k = 0.3017 0.3017 0.2856 ( 4162 PWs) bands (ev): -33.2011 -33.2011 -33.1938 -33.1938 -16.7529 -16.7529 -16.5061 -16.5061 -14.4547 -14.4547 -14.3298 -14.3298 -14.1200 -14.1200 -14.0801 -14.0801 -13.8365 -13.8365 -13.6987 -13.6987 -7.9017 -7.9017 -7.6701 -7.6701 0.9957 0.9957 1.5231 1.5231 1.7714 1.7714 1.9055 1.9055 2.4200 2.4200 2.9063 2.9063 3.0542 3.0542 3.1838 3.1838 3.4495 3.4495 4.2495 4.2495 4.3238 4.3238 4.6093 4.6093 11.8979 11.8979 12.0670 12.0670 12.4113 12.4113 12.5708 12.5708 12.5731 12.5731 k = 0.2931 0.2931 0.2856 ( 4142 PWs) bands (ev): -33.2018 -33.2018 -33.1939 -33.1939 -16.7571 -16.7571 -16.4907 -16.4907 -14.4556 -14.4556 -14.3279 -14.3279 -14.1194 -14.1194 -14.0785 -14.0785 -13.8460 -13.8460 -13.6993 -13.6993 -7.9146 -7.9146 -7.6653 -7.6653 1.0063 1.0063 1.5690 1.5690 1.7573 1.7573 1.9074 1.9074 2.3761 2.3761 2.9073 2.9073 3.0683 3.0683 3.2017 3.2017 3.4285 3.4285 4.2651 4.2651 4.3457 4.3457 4.6274 4.6274 11.8774 11.8774 12.0556 12.0556 12.3961 12.3961 12.5087 12.5087 12.5579 12.5580 k = 0.2845 0.2845 0.2856 ( 4142 PWs) bands (ev): -33.2024 -33.2024 -33.1940 -33.1940 -16.7614 -16.7614 -16.4750 -16.4750 -14.4564 -14.4564 -14.3261 -14.3261 -14.1187 -14.1187 -14.0771 -14.0771 -13.8557 -13.8557 -13.7001 -13.7001 -7.9280 -7.9280 -7.6606 -7.6606 1.0177 1.0177 1.6159 1.6159 1.7427 1.7427 1.9095 1.9095 2.3319 2.3319 2.9079 2.9079 3.0826 3.0826 3.2204 3.2204 3.4088 3.4088 4.2811 4.2811 4.3678 4.3678 4.6443 4.6443 11.8565 11.8565 12.0460 12.0460 12.3824 12.3824 12.4446 12.4446 12.5383 12.5401 k = 0.2759 0.2759 0.2856 ( 4146 PWs) bands (ev): -33.2031 -33.2031 -33.1941 -33.1941 -16.7657 -16.7657 -16.4589 -16.4589 -14.4571 -14.4571 -14.3246 -14.3246 -14.1180 -14.1180 -14.0756 -14.0756 -13.8657 -13.8657 -13.7010 -13.7010 -7.9416 -7.9416 -7.6561 -7.6561 1.0297 1.0297 1.6633 1.6633 1.7283 1.7283 1.9117 1.9117 2.2874 2.2874 2.9079 2.9079 3.0974 3.0974 3.2398 3.2398 3.3907 3.3907 4.2975 4.2975 4.3900 4.3900 4.6599 4.6599 11.8355 11.8355 12.0382 12.0382 12.3702 12.3702 12.3797 12.3797 12.5154 12.5161 k = 0.2672 0.2672 0.2856 ( 4150 PWs) bands (ev): -33.2038 -33.2038 -33.1943 -33.1943 -16.7700 -16.7700 -16.4425 -16.4425 -14.4576 -14.4576 -14.3233 -14.3233 -14.1170 -14.1170 -14.0741 -14.0741 -13.8757 -13.8757 -13.7019 -13.7019 -7.9555 -7.9555 -7.6516 -7.6516 1.0423 1.0423 1.7007 1.7007 1.7243 1.7243 1.9139 1.9139 2.2430 2.2430 2.9075 2.9075 3.1127 3.1127 3.2596 3.2596 3.3743 3.3743 4.3143 4.3143 4.4122 4.4122 4.6741 4.6741 11.8147 11.8147 12.0323 12.0323 12.3141 12.3141 12.3592 12.3592 12.4927 12.4927 k = 0.2586 0.2586 0.2856 ( 4142 PWs) bands (ev): -33.2045 -33.2045 -33.1944 -33.1944 -16.7743 -16.7743 -16.4258 -16.4258 -14.4579 -14.4579 -14.3222 -14.3222 -14.1159 -14.1159 -14.0726 -14.0726 -13.8859 -13.8859 -13.7029 -13.7029 -7.9697 -7.9697 -7.6473 -7.6473 1.0554 1.0554 1.6921 1.6921 1.7669 1.7669 1.9163 1.9163 2.1987 2.1987 2.9066 2.9066 3.1285 3.1285 3.2794 3.2794 3.3602 3.3602 4.3314 4.3314 4.4343 4.4343 4.6866 4.6866 11.7943 11.7943 12.0283 12.0283 12.2483 12.2483 12.3489 12.3489 12.4712 12.4712 k = 0.2500 0.2500 0.2856 ( 4144 PWs) bands (ev): -33.2052 -33.2052 -33.1945 -33.1945 -16.7786 -16.7786 -16.4089 -16.4089 -14.4582 -14.4582 -14.3214 -14.3214 -14.1147 -14.1147 -14.0711 -14.0711 -13.8962 -13.8962 -13.7040 -13.7040 -7.9840 -7.9840 -7.6431 -7.6431 1.0688 1.0688 1.6764 1.6764 1.8171 1.8171 1.9187 1.9187 2.1547 2.1547 2.9054 2.9054 3.1451 3.1451 3.2976 3.2976 3.3500 3.3500 4.3488 4.3488 4.4561 4.4561 4.6973 4.6973 11.7746 11.7746 12.0260 12.0260 12.1822 12.1822 12.3386 12.3386 12.4518 12.4518 k = 0.2414 0.2414 0.2856 ( 4152 PWs) bands (ev): -33.2060 -33.2060 -33.1946 -33.1946 -16.7828 -16.7828 -16.3918 -16.3918 -14.4583 -14.4583 -14.3208 -14.3208 -14.1134 -14.1134 -14.0697 -14.0697 -13.9066 -13.9066 -13.7052 -13.7052 -7.9985 -7.9985 -7.6391 -7.6391 1.0824 1.0824 1.6599 1.6599 1.8685 1.8685 1.9212 1.9212 2.1111 2.1111 2.9038 2.9038 3.1624 3.1624 3.3089 3.3089 3.3488 3.3488 4.3664 4.3664 4.4775 4.4775 4.7060 4.7060 11.7559 11.7559 12.0253 12.0253 12.1163 12.1163 12.3271 12.3271 12.4357 12.4361 k = 0.2328 0.2328 0.2856 ( 4154 PWs) bands (ev): -33.2067 -33.2067 -33.1948 -33.1948 -16.7871 -16.7871 -16.3745 -16.3745 -14.4582 -14.4582 -14.3205 -14.3205 -14.1119 -14.1119 -14.0682 -14.0682 -13.9169 -13.9169 -13.7065 -13.7065 -8.0131 -8.0131 -7.6353 -7.6353 1.0962 1.0962 1.6432 1.6432 1.9200 1.9200 1.9242 1.9242 2.0681 2.0681 2.9019 2.9019 3.1805 3.1805 3.3085 3.3085 3.3616 3.3616 4.3842 4.3842 4.4984 4.4984 4.7128 4.7128 11.7388 11.7388 12.0255 12.0255 12.0512 12.0512 12.3134 12.3134 12.3946 12.3946 k = 0.2241 0.2241 0.2856 ( 4152 PWs) bands (ev): -33.2074 -33.2074 -33.1949 -33.1949 -16.7913 -16.7913 -16.3570 -16.3570 -14.4581 -14.4581 -14.3205 -14.3205 -14.1103 -14.1103 -14.0668 -14.0668 -13.9272 -13.9272 -13.7079 -13.7079 -8.0277 -8.0277 -7.6316 -7.6316 1.1099 1.1099 1.6262 1.6262 1.9256 1.9256 1.9732 1.9732 2.0262 2.0262 2.8997 2.8997 3.1994 3.1994 3.3032 3.3032 3.3815 3.3815 4.4022 4.4022 4.5187 4.5187 4.7173 4.7173 11.7234 11.7234 11.9840 11.9840 12.0299 12.0299 12.2970 12.2970 12.3375 12.3375 k = 0.2155 0.2155 0.2856 ( 4152 PWs) bands (ev): -33.2080 -33.2080 -33.1950 -33.1950 -16.7955 -16.7955 -16.3396 -16.3396 -14.4578 -14.4578 -14.3207 -14.3207 -14.1086 -14.1086 -14.0654 -14.0654 -13.9375 -13.9375 -13.7094 -13.7094 -8.0423 -8.0423 -7.6282 -7.6282 1.1236 1.1236 1.6093 1.6093 1.9267 1.9267 1.9860 1.9860 2.0261 2.0261 2.8972 2.8972 3.2191 3.2191 3.2980 3.2980 3.4036 3.4036 4.4201 4.4201 4.5384 4.5384 4.7194 4.7194 11.7101 11.7101 11.9195 11.9195 12.0335 12.0335 12.2758 12.2758 12.2822 12.2822 k = 0.2069 0.2069 0.2856 ( 4148 PWs) bands (ev): -33.2087 -33.2087 -33.1951 -33.1951 -16.7995 -16.7995 -16.3221 -16.3221 -14.4573 -14.4573 -14.3212 -14.3212 -14.1068 -14.1068 -14.0640 -14.0640 -13.9476 -13.9476 -13.7110 -13.7110 -8.0569 -8.0569 -7.6249 -7.6249 1.1370 1.1370 1.5925 1.5925 1.9210 1.9210 1.9535 1.9535 2.0789 2.0789 2.8945 2.8945 3.2394 3.2394 3.2942 3.2942 3.4267 3.4267 4.4381 4.4381 4.5574 4.5574 4.7192 4.7192 11.6991 11.6991 11.8556 11.8556 12.0385 12.0385 12.2208 12.2208 12.2586 12.2586 k = 0.1983 0.1983 0.2856 ( 4148 PWs) bands (ev): -33.2094 -33.2094 -33.1953 -33.1953 -16.8036 -16.8036 -16.3046 -16.3046 -14.4568 -14.4568 -14.3220 -14.3220 -14.1049 -14.1049 -14.0626 -14.0626 -13.9575 -13.9575 -13.7127 -13.7127 -8.0714 -8.0714 -7.6218 -7.6218 1.1501 1.1501 1.5758 1.5758 1.8938 1.8938 1.9436 1.9436 2.1316 2.1316 2.8917 2.8917 3.2596 3.2596 3.2932 3.2932 3.4501 3.4501 4.4559 4.4559 4.5756 4.5756 4.7165 4.7165 11.6907 11.6907 11.7924 11.7924 12.0447 12.0447 12.1626 12.1626 12.2372 12.2372 k = 0.1897 0.1897 0.2856 ( 4164 PWs) bands (ev): -33.2101 -33.2101 -33.1954 -33.1954 -16.8075 -16.8075 -16.2872 -16.2872 -14.4561 -14.4561 -14.3232 -14.3232 -14.1029 -14.1029 -14.0612 -14.0612 -13.9673 -13.9673 -13.7145 -13.7145 -8.0857 -8.0857 -7.6189 -7.6189 1.1627 1.1627 1.5594 1.5594 1.8572 1.8572 1.9441 1.9441 2.1840 2.1840 2.8886 2.8886 3.2767 3.2767 3.2982 3.2982 3.4738 3.4738 4.4734 4.4734 4.5930 4.5930 4.7113 4.7113 11.6851 11.6851 11.7304 11.7304 12.0516 12.0516 12.1044 12.1044 12.2154 12.2154 k = 0.1810 0.1810 0.2856 ( 4168 PWs) bands (ev): -33.2107 -33.2107 -33.1955 -33.1955 -16.8113 -16.8113 -16.2700 -16.2700 -14.4554 -14.4554 -14.3247 -14.3247 -14.1008 -14.1008 -14.0598 -14.0598 -13.9768 -13.9768 -13.7164 -13.7164 -8.0999 -8.0999 -7.6162 -7.6162 1.1748 1.1748 1.5433 1.5433 1.8198 1.8198 1.9465 1.9465 2.2359 2.2359 2.8854 2.8854 3.2853 3.2853 3.3146 3.3146 3.4974 3.4974 4.4906 4.4906 4.6096 4.6096 4.7035 4.7035 11.6691 11.6691 11.6829 11.6829 12.0463 12.0463 12.0597 12.0597 12.1937 12.1937 k = 0.1724 0.1724 0.2856 ( 4166 PWs) bands (ev): -33.2114 -33.2114 -33.1956 -33.1956 -16.8151 -16.8151 -16.2530 -16.2530 -14.4545 -14.4545 -14.3264 -14.3264 -14.0987 -14.0987 -14.0585 -14.0585 -13.9859 -13.9859 -13.7184 -13.7184 -8.1138 -8.1138 -7.6138 -7.6138 1.1863 1.1863 1.5276 1.5276 1.7832 1.7832 1.9494 1.9494 2.2870 2.2870 2.8821 2.8821 3.2908 3.2908 3.3370 3.3370 3.5209 3.5209 4.5073 4.5073 4.6254 4.6254 4.6932 4.6932 11.6100 11.6100 11.6830 11.6830 11.9894 11.9894 12.0678 12.0678 12.1722 12.1722 k = 0.1638 0.1638 0.2856 ( 4162 PWs) bands (ev): -33.2120 -33.2120 -33.1957 -33.1957 -16.8187 -16.8187 -16.2362 -16.2362 -14.4535 -14.4535 -14.3285 -14.3285 -14.0966 -14.0966 -14.0571 -14.0571 -13.9947 -13.9947 -13.7205 -13.7205 -8.1274 -8.1274 -7.6115 -7.6115 1.1971 1.1971 1.5125 1.5125 1.7477 1.7477 1.9525 1.9525 2.3371 2.3371 2.8787 2.8787 3.2975 3.2975 3.3613 3.3613 3.5442 3.5442 4.5231 4.5231 4.6403 4.6403 4.6807 4.6807 11.5523 11.5523 11.6864 11.6864 11.9332 11.9332 12.0765 12.0765 12.1512 12.1512 k = 0.1552 0.1552 0.2856 ( 4170 PWs) bands (ev): -33.2126 -33.2126 -33.1958 -33.1958 -16.8222 -16.8222 -16.2197 -16.2197 -14.4524 -14.4524 -14.3309 -14.3309 -14.0946 -14.0946 -14.0557 -14.0557 -14.0032 -14.0032 -13.7226 -13.7226 -8.1406 -8.1406 -7.6094 -7.6094 1.2071 1.2071 1.4980 1.4980 1.7134 1.7134 1.9558 1.9558 2.3859 2.3859 2.8753 2.8753 3.3063 3.3063 3.3866 3.3866 3.5671 3.5671 4.5377 4.5377 4.6542 4.6542 4.6664 4.6664 11.4963 11.4963 11.6927 11.6927 11.8781 11.8781 12.0854 12.0854 12.1308 12.1308 k = 0.1466 0.1466 0.2856 ( 4172 PWs) bands (ev): -33.2132 -33.2132 -33.1959 -33.1959 -16.8255 -16.8255 -16.2037 -16.2037 -14.4512 -14.4512 -14.3335 -14.3335 -14.0925 -14.0925 -14.0543 -14.0543 -14.0111 -14.0111 -13.7248 -13.7248 -8.1534 -8.1534 -7.6074 -7.6074 1.2163 1.2163 1.4841 1.4841 1.6804 1.6804 1.9591 1.9591 2.4331 2.4331 2.8719 2.8719 3.3174 3.3174 3.4123 3.4123 3.5896 3.5896 4.5499 4.5499 4.6505 4.6505 4.6680 4.6680 11.4423 11.4423 11.7018 11.7018 11.8245 11.8245 12.0944 12.0944 12.1113 12.1113 k = 0.1379 0.1379 0.2856 ( 4172 PWs) bands (ev): -33.2137 -33.2137 -33.1960 -33.1960 -16.8288 -16.8288 -16.1880 -16.1880 -14.4500 -14.4500 -14.3365 -14.3365 -14.0905 -14.0905 -14.0529 -14.0529 -14.0187 -14.0187 -13.7271 -13.7271 -8.1658 -8.1658 -7.6057 -7.6057 1.2246 1.2246 1.4710 1.4710 1.6490 1.6490 1.9624 1.9624 2.4785 2.4785 2.8685 2.8685 3.3312 3.3312 3.4383 3.4383 3.6115 3.6115 4.5575 4.5575 4.6365 4.6365 4.6805 4.6805 11.3903 11.3903 11.7135 11.7135 11.7726 11.7726 12.0921 12.0921 12.1038 12.1038 k = 0.1293 0.1293 0.2856 ( 4174 PWs) bands (ev): -33.2142 -33.2142 -33.1961 -33.1961 -16.8318 -16.8318 -16.1729 -16.1729 -14.4486 -14.4486 -14.3397 -14.3397 -14.0887 -14.0887 -14.0514 -14.0514 -14.0256 -14.0256 -13.7294 -13.7294 -8.1777 -8.1777 -7.6041 -7.6041 1.2319 1.2319 1.4588 1.4588 1.6192 1.6192 1.9657 1.9657 2.5217 2.5217 2.8651 2.8651 3.3477 3.3477 3.4644 3.4644 3.6328 3.6328 4.5558 4.5558 4.6284 4.6284 4.6924 4.6924 11.3405 11.3405 11.7209 11.7209 11.7291 11.7291 12.0744 12.0744 12.1126 12.1126 k = 0.1207 0.1207 0.2856 ( 4170 PWs) bands (ev): -33.2147 -33.2147 -33.1962 -33.1962 -16.8347 -16.8347 -16.1584 -16.1584 -14.4472 -14.4472 -14.3432 -14.3432 -14.0870 -14.0870 -14.0499 -14.0499 -14.0320 -14.0320 -13.7316 -13.7316 -8.1891 -8.1891 -7.6027 -7.6027 1.2383 1.2383 1.4475 1.4475 1.5910 1.5910 1.9690 1.9690 2.5625 2.5625 2.8619 2.8619 3.3671 3.3671 3.4904 3.4904 3.6534 3.6534 4.5417 4.5417 4.6293 4.6293 4.7036 4.7036 11.2932 11.2932 11.6742 11.6742 11.7438 11.7438 12.0575 12.0575 12.1213 12.1213 k = 0.1121 0.1121 0.2856 ( 4170 PWs) bands (ev): -33.2152 -33.2152 -33.1963 -33.1963 -16.8375 -16.8375 -16.1444 -16.1444 -14.4457 -14.4457 -14.3469 -14.3469 -14.0855 -14.0855 -14.0485 -14.0485 -14.0378 -14.0378 -13.7339 -13.7339 -8.1999 -8.1999 -7.6014 -7.6014 1.2437 1.2437 1.4373 1.4373 1.5645 1.5645 1.9721 1.9721 2.6006 2.6006 2.8588 2.8588 3.3892 3.3892 3.5160 3.5160 3.6731 3.6731 4.5185 4.5185 4.6360 4.6360 4.7141 4.7141 11.2484 11.2484 11.6286 11.6286 11.7612 11.7612 12.0417 12.0417 12.1297 12.1297 k = 0.1034 0.1034 0.2856 ( 4158 PWs) bands (ev): -33.2157 -33.2157 -33.1964 -33.1964 -16.8400 -16.8400 -16.1312 -16.1312 -14.4441 -14.4441 -14.3507 -14.3507 -14.0842 -14.0842 -14.0472 -14.0472 -14.0428 -14.0428 -13.7362 -13.7362 -8.2101 -8.2101 -7.6003 -7.6003 1.2481 1.2481 1.4280 1.4280 1.5398 1.5398 1.9752 1.9752 2.6358 2.6358 2.8559 2.8559 3.4142 3.4142 3.5410 3.5410 3.6919 3.6919 4.4899 4.4899 4.6450 4.6450 4.7240 4.7240 11.2063 11.2063 11.5854 11.5854 11.7797 11.7797 12.0271 12.0271 12.1377 12.1377 k = 0.0948 0.0948 0.2856 ( 4166 PWs) bands (ev): -33.2161 -33.2161 -33.1965 -33.1965 -16.8424 -16.8424 -16.1188 -16.1188 -14.4425 -14.4425 -14.3546 -14.3546 -14.0833 -14.0833 -14.0481 -14.0481 -14.0449 -14.0449 -13.7384 -13.7384 -8.2196 -8.2196 -7.5993 -7.5993 1.2514 1.2514 1.4199 1.4199 1.5169 1.5169 1.9781 1.9781 2.6679 2.6679 2.8531 2.8531 3.4418 3.4418 3.5653 3.5653 3.7097 3.7097 4.4577 4.4577 4.6543 4.6543 4.7334 4.7334 11.1669 11.1669 11.5449 11.5449 11.7986 11.7986 12.0136 12.0136 12.1451 12.1451 k = 0.0862 0.0862 0.2856 ( 4166 PWs) bands (ev): -33.2165 -33.2165 -33.1966 -33.1966 -16.8446 -16.8446 -16.1072 -16.1072 -14.4409 -14.4409 -14.3586 -14.3586 -14.0827 -14.0827 -14.0517 -14.0517 -14.0436 -14.0436 -13.7406 -13.7406 -8.2284 -8.2284 -7.5984 -7.5984 1.2538 1.2538 1.4128 1.4128 1.4959 1.4959 1.9809 1.9809 2.6969 2.6969 2.8507 2.8507 3.4719 3.4719 3.5888 3.5888 3.7264 3.7264 4.4229 4.4229 4.6634 4.6634 4.7421 4.7421 11.1306 11.1306 11.5074 11.5074 11.8173 11.8173 12.0014 12.0014 12.1520 12.1520 k = 0.0776 0.0776 0.2856 ( 4170 PWs) bands (ev): -33.2168 -33.2168 -33.1966 -33.1966 -16.8466 -16.8466 -16.0965 -16.0965 -14.4392 -14.4392 -14.3626 -14.3626 -14.0825 -14.0825 -14.0547 -14.0547 -14.0422 -14.0422 -13.7426 -13.7426 -8.2364 -8.2364 -7.5977 -7.5977 1.2554 1.2554 1.4066 1.4066 1.4770 1.4770 1.9834 1.9834 2.7225 2.7225 2.8486 2.8486 3.5039 3.5039 3.6112 3.6112 3.7419 3.7419 4.3862 4.3862 4.6718 4.6718 4.7503 4.7503 11.0972 11.0972 11.4728 11.4728 11.8353 11.8353 11.9906 11.9906 12.1582 12.1582 k = 0.0690 0.0690 0.2856 ( 4162 PWs) bands (ev): -33.2171 -33.2171 -33.1967 -33.1967 -16.8484 -16.8484 -16.0867 -16.0867 -14.4375 -14.4375 -14.3666 -14.3666 -14.0826 -14.0826 -14.0571 -14.0571 -14.0408 -14.0408 -13.7445 -13.7445 -8.2438 -8.2438 -7.5970 -7.5970 1.2562 1.2562 1.4014 1.4014 1.4601 1.4601 1.9858 1.9858 2.7447 2.7447 2.8471 2.8471 3.5373 3.5373 3.6329 3.6329 3.7563 3.7563 4.3478 4.3478 4.6793 4.6793 4.7578 4.7578 11.0671 11.0671 11.4416 11.4416 11.8521 11.8521 11.9814 11.9814 12.1637 12.1637 k = 0.0603 0.0603 0.2856 ( 4166 PWs) bands (ev): -33.2174 -33.2174 -33.1967 -33.1967 -16.8500 -16.8500 -16.0780 -16.0780 -14.4359 -14.4359 -14.3704 -14.3704 -14.0831 -14.0831 -14.0588 -14.0588 -14.0394 -14.0394 -13.7463 -13.7463 -8.2503 -8.2503 -7.5964 -7.5964 1.2564 1.2564 1.3969 1.3969 1.4454 1.4454 1.9880 1.9880 2.7635 2.7635 2.8461 2.8461 3.5709 3.5709 3.6540 3.6540 3.7694 3.7694 4.3083 4.3083 4.6859 4.6859 4.7646 4.7646 11.0403 11.0403 11.4136 11.4136 11.8669 11.8669 11.9738 11.9738 12.1683 12.1683 k = 0.0517 0.0517 0.2856 ( 4162 PWs) bands (ev): -33.2176 -33.2176 -33.1968 -33.1968 -16.8514 -16.8514 -16.0703 -16.0703 -14.4342 -14.4342 -14.3740 -14.3740 -14.0838 -14.0838 -14.0600 -14.0600 -14.0382 -14.0382 -13.7479 -13.7479 -8.2560 -8.2560 -7.5960 -7.5960 1.2562 1.2562 1.3929 1.3929 1.4329 1.4329 1.9899 1.9899 2.7789 2.7789 2.8458 2.8458 3.6031 3.6031 3.6755 3.6755 3.7812 3.7812 4.2681 4.2681 4.6916 4.6916 4.7707 4.7707 11.0169 11.0169 11.3891 11.3891 11.8793 11.8793 11.9680 11.9680 12.1720 12.1720 k = 0.0431 0.0431 0.2856 ( 4166 PWs) bands (ev): -33.2179 -33.2179 -33.1968 -33.1968 -16.8526 -16.8526 -16.0637 -16.0637 -14.4327 -14.4327 -14.3773 -14.3773 -14.0846 -14.0846 -14.0608 -14.0608 -14.0371 -14.0371 -13.7492 -13.7492 -8.2608 -8.2608 -7.5956 -7.5956 1.2557 1.2557 1.3893 1.3893 1.4229 1.4229 1.9915 1.9915 2.7908 2.7908 2.8464 2.8464 3.6313 3.6313 3.6990 3.6990 3.7918 3.7918 4.2280 4.2280 4.6964 4.6964 4.7760 4.7760 10.9969 10.9969 11.3682 11.3682 11.8889 11.8889 11.9641 11.9641 12.1748 12.1748 k = 0.0345 0.0345 0.2856 ( 4180 PWs) bands (ev): -33.2180 -33.2180 -33.1968 -33.1968 -16.8536 -16.8536 -16.0582 -16.0582 -14.4313 -14.4313 -14.3802 -14.3802 -14.0854 -14.0854 -14.0613 -14.0613 -14.0362 -14.0362 -13.7504 -13.7504 -8.2648 -8.2648 -7.5953 -7.5953 1.2550 1.2550 1.3859 1.3859 1.4152 1.4152 1.9929 1.9929 2.7994 2.7994 2.8479 2.8479 3.6532 3.6532 3.7251 3.7251 3.8014 3.8014 4.1890 4.1890 4.7002 4.7002 4.7804 4.7804 10.9804 10.9804 11.3509 11.3509 11.8956 11.8956 11.9621 11.9621 12.1765 12.1765 k = 0.0259 0.0259 0.2856 ( 4178 PWs) bands (ev): -33.2182 -33.2182 -33.1969 -33.1969 -16.8544 -16.8544 -16.0539 -16.0539 -14.4300 -14.4300 -14.3826 -14.3826 -14.0861 -14.0861 -14.0616 -14.0616 -14.0354 -14.0354 -13.7514 -13.7514 -8.2680 -8.2680 -7.5951 -7.5951 1.2544 1.2544 1.3828 1.3828 1.4099 1.4099 1.9940 1.9940 2.8051 2.8051 2.8499 2.8499 3.6686 3.6686 3.7516 3.7516 3.8108 3.8108 4.1525 4.1525 4.7031 4.7031 4.7840 4.7840 10.9675 10.9675 11.3375 11.3375 11.8999 11.8999 11.9617 11.9617 12.1774 12.1774 k = 0.0172 0.0172 0.2856 ( 4182 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8549 -16.8549 -16.0508 -16.0508 -14.4291 -14.4291 -14.3845 -14.3845 -14.0866 -14.0866 -14.0618 -14.0618 -14.0348 -14.0348 -13.7520 -13.7520 -8.2702 -8.2702 -7.5949 -7.5949 1.2538 1.2538 1.3802 1.3802 1.4064 1.4064 1.9948 1.9948 2.8084 2.8084 2.8519 2.8519 3.6785 3.6785 3.7735 3.7735 3.8210 3.8210 4.1211 4.1211 4.7052 4.7052 4.7865 4.7865 10.9583 10.9583 11.3278 11.3278 11.9022 11.9022 11.9621 11.9621 12.1776 12.1776 k = 0.0086 0.0086 0.2856 ( 4184 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8553 -16.8553 -16.0490 -16.0490 -14.4285 -14.4285 -14.3856 -14.3856 -14.0870 -14.0870 -14.0619 -14.0619 -14.0345 -14.0345 -13.7525 -13.7525 -8.2716 -8.2716 -7.5948 -7.5948 1.2535 1.2535 1.3785 1.3785 1.4046 1.4046 1.9952 1.9952 2.8102 2.8102 2.8534 2.8534 3.6841 3.6841 3.7864 3.7864 3.8313 3.8313 4.0988 4.0988 4.7065 4.7065 4.7880 4.7880 10.9528 10.9528 11.3219 11.3219 11.9032 11.9032 11.9627 11.9627 12.1776 12.1776 k = 0.0000 0.0000 0.2856 ( 4188 PWs) bands (ev): -33.2183 -33.2183 -33.1969 -33.1969 -16.8554 -16.8554 -16.0484 -16.0484 -14.4283 -14.4283 -14.3860 -14.3860 -14.0871 -14.0871 -14.0619 -14.0619 -14.0344 -14.0344 -13.7526 -13.7526 -8.2720 -8.2720 -7.5948 -7.5948 1.2534 1.2534 1.3779 1.3779 1.4040 1.4040 1.9954 1.9954 2.8107 2.8107 2.8539 2.8539 3.6859 3.6859 3.7903 3.7903 3.8360 3.8360 4.0905 4.0905 4.7069 4.7069 4.7885 4.7885 10.9510 10.9510 11.3200 11.3200 11.9035 11.9035 11.9629 11.9629 12.1775 12.1775 k = 0.0000 0.5000-0.0000 ( 4168 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6090 -16.6090 -16.6090 -16.6090 -14.3795 -14.3795 -14.3795 -14.3795 -14.0698 -14.0698 -14.0698 -14.0698 -13.8269 -13.8269 -13.8269 -13.8269 -7.7892 -7.7892 -7.7892 -7.7892 1.5247 1.5247 1.5247 1.5247 2.0060 2.0060 2.0060 2.0060 2.0432 2.0432 2.0432 2.0432 3.1659 3.1659 3.1659 3.1659 4.1666 4.1666 4.1666 4.1666 4.4936 4.4936 4.4936 4.4936 11.4149 11.4149 11.4149 11.4149 11.9014 11.9014 11.9014 11.9014 12.3647 12.3647 k = 0.0000 0.5000 0.0119 ( 4174 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6090 -16.6090 -16.6090 -16.6090 -14.3795 -14.3795 -14.3795 -14.3795 -14.0698 -14.0698 -14.0698 -14.0698 -13.8270 -13.8270 -13.8270 -13.8270 -7.7892 -7.7892 -7.7892 -7.7892 1.5251 1.5251 1.5251 1.5251 2.0056 2.0056 2.0056 2.0056 2.0430 2.0430 2.0430 2.0430 3.1649 3.1649 3.1649 3.1649 4.1668 4.1668 4.1668 4.1668 4.4945 4.4945 4.4946 4.4946 11.4152 11.4152 11.4152 11.4152 11.9027 11.9027 11.9027 11.9027 12.3640 12.3640 k = 0.0000 0.5000 0.0238 ( 4170 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6090 -16.6090 -16.6090 -16.6090 -14.3794 -14.3794 -14.3794 -14.3794 -14.0697 -14.0697 -14.0697 -14.0697 -13.8271 -13.8271 -13.8271 -13.8271 -7.7891 -7.7891 -7.7891 -7.7891 1.5265 1.5265 1.5265 1.5265 2.0046 2.0046 2.0046 2.0046 2.0426 2.0426 2.0426 2.0426 3.1619 3.1619 3.1619 3.1619 4.1671 4.1671 4.1671 4.1671 4.4975 4.4975 4.4975 4.4975 11.4162 11.4162 11.4162 11.4162 11.9067 11.9067 11.9067 11.9067 12.3619 12.3619 k = 0.0000 0.5000 0.0357 ( 4162 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6091 -16.6091 -16.6091 -16.6091 -14.3792 -14.3792 -14.3792 -14.3792 -14.0696 -14.0696 -14.0696 -14.0696 -13.8274 -13.8274 -13.8274 -13.8274 -7.7890 -7.7890 -7.7890 -7.7890 1.5287 1.5287 1.5288 1.5288 2.0028 2.0028 2.0028 2.0028 2.0418 2.0418 2.0418 2.0418 3.1571 3.1571 3.1571 3.1571 4.1676 4.1676 4.1676 4.1676 4.5024 4.5024 4.5024 4.5024 11.4178 11.4178 11.4178 11.4178 11.9133 11.9133 11.9133 11.9133 12.3586 12.3586 k = 0.0000 0.5000 0.0476 ( 4166 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6091 -16.6091 -16.6091 -16.6091 -14.3791 -14.3791 -14.3791 -14.3791 -14.0694 -14.0694 -14.0694 -14.0694 -13.8277 -13.8277 -13.8277 -13.8277 -7.7889 -7.7889 -7.7889 -7.7889 1.5319 1.5319 1.5319 1.5319 2.0002 2.0002 2.0002 2.0002 2.0409 2.0409 2.0409 2.0409 3.1504 3.1504 3.1504 3.1504 4.1684 4.1684 4.1684 4.1684 4.5090 4.5090 4.5090 4.5090 11.4201 11.4201 11.4201 11.4201 11.9223 11.9223 11.9223 11.9223 12.3540 12.3540 k = 0.0000 0.5000 0.0595 ( 4166 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6091 -16.6091 -16.6091 -16.6091 -14.3789 -14.3789 -14.3789 -14.3789 -14.0691 -14.0691 -14.0691 -14.0691 -13.8282 -13.8282 -13.8282 -13.8282 -7.7887 -7.7887 -7.7887 -7.7887 1.5359 1.5359 1.5359 1.5359 1.9968 1.9968 1.9968 1.9968 2.0398 2.0398 2.0398 2.0398 3.1421 3.1421 3.1421 3.1421 4.1693 4.1693 4.1693 4.1693 4.5172 4.5172 4.5172 4.5172 11.4229 11.4229 11.4229 11.4229 11.9337 11.9337 11.9337 11.9337 12.3484 12.3484 k = 0.0000 0.5000 0.0714 ( 4170 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6092 -16.6092 -16.6092 -16.6092 -14.3786 -14.3786 -14.3786 -14.3786 -14.0688 -14.0688 -14.0688 -14.0688 -13.8287 -13.8287 -13.8287 -13.8287 -7.7885 -7.7885 -7.7885 -7.7885 1.5408 1.5408 1.5408 1.5408 1.9925 1.9925 1.9925 1.9925 2.0385 2.0385 2.0385 2.0385 3.1325 3.1325 3.1325 3.1325 4.1704 4.1704 4.1704 4.1704 4.5268 4.5268 4.5268 4.5268 11.4262 11.4262 11.4262 11.4262 11.9472 11.9472 11.9472 11.9472 12.3419 12.3419 k = 0.0000 0.5000 0.0833 ( 4168 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6093 -16.6093 -16.6093 -16.6093 -14.3783 -14.3783 -14.3783 -14.3783 -14.0685 -14.0685 -14.0685 -14.0685 -13.8293 -13.8293 -13.8293 -13.8293 -7.7882 -7.7882 -7.7882 -7.7882 1.5466 1.5466 1.5466 1.5466 1.9873 1.9873 1.9873 1.9873 2.0373 2.0373 2.0373 2.0373 3.1217 3.1217 3.1217 3.1217 4.1717 4.1717 4.1717 4.1717 4.5376 4.5376 4.5376 4.5376 11.4300 11.4300 11.4300 11.4300 11.9626 11.9626 11.9626 11.9626 12.3346 12.3346 k = 0.0000 0.5000 0.0952 ( 4160 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6093 -16.6093 -16.6093 -16.6093 -14.3780 -14.3780 -14.3780 -14.3780 -14.0681 -14.0681 -14.0681 -14.0681 -13.8300 -13.8300 -13.8300 -13.8300 -7.7879 -7.7879 -7.7879 -7.7879 1.5532 1.5532 1.5532 1.5532 1.9811 1.9811 1.9811 1.9811 2.0359 2.0359 2.0359 2.0359 3.1101 3.1101 3.1101 3.1101 4.1731 4.1731 4.1731 4.1731 4.5493 4.5493 4.5493 4.5493 11.4342 11.4342 11.4342 11.4342 11.9798 11.9798 11.9798 11.9798 12.3267 12.3267 k = 0.0000 0.5000 0.1071 ( 4164 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6094 -16.6094 -16.6094 -16.6094 -14.3777 -14.3777 -14.3777 -14.3777 -14.0677 -14.0677 -14.0677 -14.0677 -13.8307 -13.8307 -13.8307 -13.8307 -7.7876 -7.7876 -7.7876 -7.7876 1.5606 1.5606 1.5606 1.5606 1.9741 1.9741 1.9741 1.9741 2.0346 2.0346 2.0346 2.0346 3.0977 3.0977 3.0978 3.0978 4.1746 4.1746 4.1746 4.1746 4.5617 4.5617 4.5617 4.5617 11.4388 11.4388 11.4388 11.4388 11.9982 11.9982 11.9982 11.9982 12.3183 12.3183 k = 0.0000 0.5000 0.1190 ( 4168 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6095 -16.6095 -16.6095 -16.6095 -14.3773 -14.3773 -14.3773 -14.3773 -14.0672 -14.0672 -14.0672 -14.0672 -13.8315 -13.8315 -13.8315 -13.8315 -7.7873 -7.7873 -7.7873 -7.7873 1.5688 1.5688 1.5688 1.5688 1.9661 1.9661 1.9661 1.9661 2.0334 2.0334 2.0334 2.0334 3.0850 3.0850 3.0850 3.0850 4.1761 4.1761 4.1761 4.1761 4.5745 4.5745 4.5745 4.5745 11.4436 11.4436 11.4436 11.4436 12.0178 12.0178 12.0178 12.0178 12.3097 12.3097 k = 0.0000 0.5000 0.1309 ( 4172 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6096 -16.6096 -16.6096 -16.6096 -14.3769 -14.3769 -14.3769 -14.3769 -14.0668 -14.0668 -14.0668 -14.0668 -13.8323 -13.8323 -13.8323 -13.8323 -7.7870 -7.7870 -7.7870 -7.7870 1.5778 1.5778 1.5778 1.5778 1.9572 1.9572 1.9572 1.9572 2.0322 2.0322 2.0322 2.0322 3.0722 3.0722 3.0722 3.0722 4.1778 4.1778 4.1778 4.1778 4.5875 4.5875 4.5876 4.5876 11.4486 11.4486 11.4486 11.4486 12.0379 12.0379 12.0379 12.0379 12.3010 12.3010 k = 0.0000 0.5000 0.1428 ( 4172 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6097 -16.6097 -16.6097 -16.6097 -14.3765 -14.3765 -14.3765 -14.3765 -14.0663 -14.0663 -14.0663 -14.0663 -13.8332 -13.8332 -13.8332 -13.8332 -7.7866 -7.7866 -7.7866 -7.7866 1.5875 1.5875 1.5875 1.5875 1.9474 1.9474 1.9474 1.9474 2.0310 2.0310 2.0310 2.0310 3.0594 3.0594 3.0594 3.0594 4.1794 4.1794 4.1794 4.1794 4.6006 4.6006 4.6006 4.6006 11.4538 11.4538 11.4538 11.4538 12.0583 12.0583 12.0583 12.0583 12.2923 12.2923 k = 0.0000 0.5000 0.1547 ( 4162 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6097 -16.6097 -16.6097 -16.6097 -14.3762 -14.3762 -14.3762 -14.3762 -14.0658 -14.0658 -14.0658 -14.0658 -13.8340 -13.8340 -13.8340 -13.8340 -7.7863 -7.7863 -7.7863 -7.7863 1.5979 1.5979 1.5979 1.5979 1.9369 1.9369 1.9369 1.9369 2.0299 2.0299 2.0299 2.0299 3.0470 3.0470 3.0470 3.0470 4.1810 4.1810 4.1810 4.1810 4.6133 4.6133 4.6133 4.6133 11.4590 11.4590 11.4590 11.4590 12.0786 12.0786 12.0786 12.0786 12.2838 12.2838 k = 0.0000 0.5000 0.1666 ( 4150 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6098 -16.6098 -16.6098 -16.6098 -14.3758 -14.3758 -14.3758 -14.3758 -14.0653 -14.0653 -14.0653 -14.0653 -13.8348 -13.8348 -13.8348 -13.8348 -7.7859 -7.7859 -7.7859 -7.7859 1.6088 1.6088 1.6088 1.6088 1.9257 1.9257 1.9257 1.9257 2.0289 2.0289 2.0289 2.0289 3.0350 3.0350 3.0350 3.0350 4.1826 4.1826 4.1826 4.1826 4.6257 4.6257 4.6257 4.6257 11.4642 11.4642 11.4642 11.4642 12.0983 12.0983 12.0983 12.0983 12.2757 12.2757 k = 0.0000 0.5000 0.1785 ( 4162 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6099 -16.6099 -16.6099 -16.6099 -14.3754 -14.3754 -14.3754 -14.3754 -14.0649 -14.0649 -14.0649 -14.0649 -13.8356 -13.8356 -13.8356 -13.8356 -7.7856 -7.7856 -7.7856 -7.7856 1.6203 1.6203 1.6203 1.6203 1.9138 1.9138 1.9138 1.9138 2.0279 2.0279 2.0279 2.0279 3.0237 3.0237 3.0237 3.0237 4.1842 4.1842 4.1842 4.1842 4.6374 4.6374 4.6374 4.6374 11.4691 11.4691 11.4691 11.4691 12.1170 12.1170 12.1170 12.1170 12.2679 12.2679 k = 0.0000 0.5000 0.1904 ( 4170 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6100 -16.6100 -16.6100 -16.6100 -14.3751 -14.3751 -14.3751 -14.3751 -14.0645 -14.0645 -14.0645 -14.0645 -13.8364 -13.8364 -13.8364 -13.8364 -7.7853 -7.7853 -7.7853 -7.7853 1.6323 1.6323 1.6323 1.6323 1.9014 1.9014 1.9014 1.9014 2.0270 2.0270 2.0270 2.0270 3.0132 3.0132 3.0132 3.0132 4.1856 4.1856 4.1856 4.1856 4.6483 4.6483 4.6483 4.6483 11.4739 11.4739 11.4739 11.4739 12.1343 12.1343 12.1343 12.1343 12.2606 12.2606 k = 0.0000 0.5000 0.2023 ( 4182 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6101 -16.6101 -16.6101 -16.6101 -14.3748 -14.3748 -14.3748 -14.3748 -14.0641 -14.0641 -14.0641 -14.0641 -13.8371 -13.8371 -13.8371 -13.8371 -7.7850 -7.7850 -7.7850 -7.7850 1.6445 1.6445 1.6445 1.6445 1.8887 1.8887 1.8887 1.8887 2.0262 2.0262 2.0262 2.0262 3.0037 3.0037 3.0037 3.0037 4.1870 4.1870 4.1870 4.1870 4.6582 4.6582 4.6582 4.6582 11.4783 11.4783 11.4783 11.4783 12.1500 12.1500 12.1500 12.1500 12.2541 12.2541 k = 0.0000 0.5000 0.2142 ( 4186 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6101 -16.6101 -16.6101 -16.6101 -14.3745 -14.3745 -14.3745 -14.3745 -14.0637 -14.0637 -14.0637 -14.0637 -13.8377 -13.8377 -13.8377 -13.8377 -7.7848 -7.7848 -7.7848 -7.7848 1.6570 1.6570 1.6570 1.6570 1.8758 1.8758 1.8758 1.8758 2.0255 2.0255 2.0255 2.0255 2.9953 2.9953 2.9953 2.9953 4.1882 4.1882 4.1882 4.1882 4.6671 4.6671 4.6671 4.6671 11.4823 11.4823 11.4823 11.4823 12.1639 12.1639 12.1639 12.1639 12.2482 12.2482 k = 0.0000 0.5000 0.2261 ( 4178 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6102 -16.6102 -16.6102 -16.6102 -14.3742 -14.3742 -14.3742 -14.3742 -14.0634 -14.0634 -14.0634 -14.0634 -13.8383 -13.8383 -13.8383 -13.8383 -7.7845 -7.7845 -7.7845 -7.7845 1.6693 1.6693 1.6693 1.6693 1.8630 1.8630 1.8630 1.8630 2.0249 2.0249 2.0249 2.0249 2.9880 2.9880 2.9880 2.9880 4.1893 4.1893 4.1893 4.1893 4.6748 4.6748 4.6748 4.6748 11.4859 11.4859 11.4859 11.4859 12.1758 12.1758 12.1758 12.1758 12.2433 12.2433 k = 0.0000 0.5000 0.2380 ( 4178 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6102 -16.6102 -16.6102 -16.6102 -14.3740 -14.3740 -14.3740 -14.3740 -14.0631 -14.0631 -14.0631 -14.0631 -13.8388 -13.8388 -13.8388 -13.8388 -7.7843 -7.7843 -7.7843 -7.7843 1.6813 1.6813 1.6813 1.6813 1.8507 1.8507 1.8507 1.8507 2.0244 2.0244 2.0244 2.0244 2.9819 2.9819 2.9819 2.9819 4.1902 4.1902 4.1902 4.1902 4.6813 4.6813 4.6813 4.6813 11.4889 11.4889 11.4889 11.4889 12.1855 12.1855 12.1855 12.1855 12.2392 12.2392 k = 0.0000 0.5000 0.2499 ( 4174 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6103 -16.6103 -16.6103 -16.6103 -14.3739 -14.3739 -14.3739 -14.3739 -14.0628 -14.0628 -14.0628 -14.0628 -13.8391 -13.8391 -13.8391 -13.8391 -7.7842 -7.7842 -7.7842 -7.7842 1.6922 1.6922 1.6922 1.6922 1.8394 1.8394 1.8394 1.8394 2.0240 2.0240 2.0240 2.0240 2.9771 2.9771 2.9771 2.9771 4.1909 4.1909 4.1909 4.1909 4.6863 4.6863 4.6863 4.6863 11.4913 11.4913 11.4913 11.4913 12.1929 12.1929 12.1929 12.1929 12.2361 12.2361 k = 0.0000 0.5000 0.2618 ( 4170 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6103 -16.6103 -16.6103 -16.6103 -14.3737 -14.3737 -14.3737 -14.3737 -14.0627 -14.0627 -14.0627 -14.0627 -13.8394 -13.8394 -13.8394 -13.8394 -7.7841 -7.7841 -7.7841 -7.7841 1.7015 1.7015 1.7015 1.7015 1.8299 1.8299 1.8299 1.8299 2.0237 2.0237 2.0237 2.0237 2.9737 2.9737 2.9737 2.9737 4.1914 4.1914 4.1914 4.1914 4.6900 4.6900 4.6900 4.6900 11.4931 11.4931 11.4931 11.4931 12.1982 12.1982 12.1982 12.1982 12.2339 12.2339 k = 0.0000 0.5000 0.2737 ( 4172 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6103 -16.6103 -16.6103 -16.6103 -14.3736 -14.3736 -14.3736 -14.3736 -14.0626 -14.0626 -14.0626 -14.0626 -13.8396 -13.8396 -13.8396 -13.8396 -7.7840 -7.7840 -7.7840 -7.7840 1.7078 1.7078 1.7078 1.7078 1.8234 1.8234 1.8234 1.8234 2.0235 2.0235 2.0235 2.0235 2.9716 2.9716 2.9716 2.9716 4.1917 4.1917 4.1917 4.1917 4.6922 4.6922 4.6922 4.6922 11.4942 11.4942 11.4942 11.4942 12.2012 12.2012 12.2012 12.2012 12.2327 12.2327 k = 0.0000 0.5000 0.2856 ( 4164 PWs) bands (ev): -33.1998 -33.1998 -33.1998 -33.1998 -16.6103 -16.6103 -16.6103 -16.6103 -14.3736 -14.3736 -14.3736 -14.3736 -14.0625 -14.0625 -14.0625 -14.0625 -13.8397 -13.8397 -13.8397 -13.8397 -7.7840 -7.7840 -7.7840 -7.7840 1.7101 1.7101 1.7101 1.7101 1.8211 1.8211 1.8211 1.8211 2.0235 2.0235 2.0235 2.0235 2.9709 2.9709 2.9709 2.9709 4.1918 4.1918 4.1918 4.1918 4.6930 4.6930 4.6930 4.6930 11.4945 11.4945 11.4945 11.4945 12.2022 12.2022 12.2022 12.2022 12.2323 12.2323 k = 0.5000 0.5000-0.0000 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3997 -14.3997 -14.3997 -14.3997 -14.1075 -14.1075 -14.1075 -14.1075 -13.7068 -13.7068 -13.7068 -13.7068 -7.7556 -7.7556 -7.7556 -7.7556 1.0526 1.0526 1.0526 1.0526 2.0577 2.0577 2.0577 2.0577 2.4894 2.4894 2.4894 2.4894 3.0360 3.0360 3.0360 3.0360 3.9607 3.9607 3.9607 3.9607 4.2649 4.2649 4.2649 4.2649 11.9717 11.9717 11.9717 11.9717 12.5075 12.5075 12.5075 12.5075 12.9525 12.9525 k = 0.5000 0.5000 0.0119 ( 4140 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3997 -14.3997 -14.3997 -14.3997 -14.1075 -14.1075 -14.1075 -14.1075 -13.7068 -13.7068 -13.7068 -13.7068 -7.7556 -7.7556 -7.7556 -7.7556 1.0522 1.0522 1.0522 1.0522 2.0565 2.0565 2.0565 2.0565 2.4912 2.4912 2.4912 2.4912 3.0360 3.0360 3.0360 3.0360 3.9612 3.9612 3.9612 3.9612 4.2642 4.2642 4.2642 4.2642 11.9730 11.9730 11.9730 11.9730 12.5069 12.5069 12.5069 12.5069 12.9520 12.9521 k = 0.5000 0.5000 0.0238 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3997 -14.3997 -14.3997 -14.3997 -14.1076 -14.1076 -14.1076 -14.1076 -13.7068 -13.7068 -13.7068 -13.7068 -7.7554 -7.7554 -7.7554 -7.7554 1.0510 1.0510 1.0510 1.0510 2.0530 2.0530 2.0530 2.0530 2.4965 2.4965 2.4965 2.4965 3.0360 3.0360 3.0360 3.0360 3.9625 3.9625 3.9625 3.9625 4.2621 4.2621 4.2621 4.2621 11.9768 11.9768 11.9768 11.9768 12.5052 12.5052 12.5052 12.5052 12.9505 12.9505 k = 0.5000 0.5000 0.0357 ( 4160 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3998 -14.3998 -14.3998 -14.3998 -14.1076 -14.1076 -14.1076 -14.1076 -13.7068 -13.7068 -13.7068 -13.7068 -7.7553 -7.7553 -7.7553 -7.7553 1.0489 1.0489 1.0489 1.0489 2.0474 2.0474 2.0474 2.0474 2.5049 2.5049 2.5049 2.5049 3.0360 3.0360 3.0360 3.0360 3.9646 3.9646 3.9646 3.9646 4.2586 4.2586 4.2586 4.2586 11.9831 11.9831 11.9831 11.9831 12.5024 12.5024 12.5024 12.5024 12.9479 12.9479 k = 0.5000 0.5000 0.0476 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3998 -14.3998 -14.3998 -14.3998 -14.1077 -14.1077 -14.1077 -14.1077 -13.7067 -13.7067 -13.7067 -13.7067 -7.7550 -7.7550 -7.7550 -7.7550 1.0461 1.0461 1.0461 1.0461 2.0399 2.0399 2.0399 2.0399 2.5163 2.5163 2.5163 2.5163 3.0360 3.0360 3.0360 3.0360 3.9675 3.9675 3.9675 3.9675 4.2537 4.2537 4.2537 4.2537 11.9918 11.9918 11.9918 11.9918 12.4987 12.4987 12.4987 12.4987 12.9443 12.9443 k = 0.5000 0.5000 0.0595 ( 4160 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.3999 -14.3999 -14.3999 -14.3999 -14.1078 -14.1078 -14.1078 -14.1078 -13.7066 -13.7066 -13.7066 -13.7066 -7.7546 -7.7546 -7.7546 -7.7546 1.0426 1.0426 1.0426 1.0426 2.0311 2.0311 2.0311 2.0311 2.5302 2.5302 2.5302 2.5302 3.0360 3.0360 3.0360 3.0360 3.9711 3.9711 3.9711 3.9711 4.2476 4.2476 4.2476 4.2476 12.0028 12.0028 12.0028 12.0028 12.4943 12.4943 12.4943 12.4943 12.9395 12.9396 k = 0.5000 0.5000 0.0714 ( 4164 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.4000 -14.4000 -14.4000 -14.4000 -14.1079 -14.1079 -14.1079 -14.1079 -13.7065 -13.7065 -13.7065 -13.7065 -7.7542 -7.7542 -7.7542 -7.7542 1.0384 1.0384 1.0384 1.0384 2.0211 2.0211 2.0211 2.0211 2.5463 2.5463 2.5463 2.5463 3.0360 3.0360 3.0360 3.0360 3.9754 3.9754 3.9754 3.9754 4.2403 4.2403 4.2403 4.2403 12.0162 12.0162 12.0162 12.0162 12.4894 12.4894 12.4894 12.4894 12.9337 12.9337 k = 0.5000 0.5000 0.0833 ( 4156 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.4000 -14.4000 -14.4000 -14.4000 -14.1080 -14.1080 -14.1080 -14.1080 -13.7064 -13.7064 -13.7064 -13.7064 -7.7538 -7.7538 -7.7538 -7.7538 1.0336 1.0336 1.0336 1.0336 2.0104 2.0104 2.0104 2.0104 2.5640 2.5640 2.5640 2.5640 3.0360 3.0360 3.0360 3.0360 3.9803 3.9803 3.9803 3.9803 4.2320 4.2320 4.2320 4.2320 12.0317 12.0317 12.0317 12.0317 12.4842 12.4842 12.4842 12.4842 12.9269 12.9269 k = 0.5000 0.5000 0.0952 ( 4164 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.4001 -14.4001 -14.4001 -14.4001 -14.1081 -14.1081 -14.1081 -14.1081 -13.7063 -13.7063 -13.7063 -13.7063 -7.7532 -7.7532 -7.7532 -7.7532 1.0284 1.0284 1.0284 1.0284 1.9991 1.9991 1.9991 1.9991 2.5830 2.5830 2.5830 2.5830 3.0360 3.0360 3.0360 3.0360 3.9856 3.9856 3.9856 3.9856 4.2226 4.2226 4.2226 4.2226 12.0491 12.0491 12.0491 12.0491 12.4786 12.4786 12.4786 12.4786 12.9191 12.9192 k = 0.5000 0.5000 0.1071 ( 4164 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6955 -16.6955 -16.6955 -16.6955 -14.4002 -14.4002 -14.4002 -14.4002 -14.1082 -14.1082 -14.1082 -14.1082 -13.7061 -13.7061 -13.7061 -13.7061 -7.7527 -7.7527 -7.7527 -7.7527 1.0227 1.0227 1.0227 1.0227 1.9877 1.9877 1.9877 1.9877 2.6030 2.6030 2.6030 2.6030 3.0360 3.0360 3.0360 3.0360 3.9912 3.9912 3.9912 3.9912 4.2125 4.2125 4.2125 4.2125 12.0684 12.0684 12.0684 12.0684 12.4731 12.4731 12.4731 12.4731 12.9104 12.9104 k = 0.5000 0.5000 0.1190 ( 4180 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6954 -16.6954 -16.6954 -16.6954 -14.4004 -14.4004 -14.4004 -14.4004 -14.1084 -14.1084 -14.1084 -14.1084 -13.7060 -13.7060 -13.7060 -13.7060 -7.7521 -7.7521 -7.7521 -7.7521 1.0168 1.0168 1.0168 1.0168 1.9763 1.9763 1.9763 1.9763 2.6236 2.6236 2.6236 2.6236 3.0361 3.0361 3.0361 3.0361 3.9971 3.9971 3.9971 3.9971 4.2017 4.2017 4.2017 4.2017 12.0893 12.0893 12.0893 12.0893 12.4675 12.4675 12.4675 12.4675 12.9007 12.9007 k = 0.5000 0.5000 0.1309 ( 4180 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6954 -16.6954 -16.6954 -16.6954 -14.4005 -14.4005 -14.4005 -14.4005 -14.1085 -14.1085 -14.1085 -14.1085 -13.7058 -13.7058 -13.7058 -13.7058 -7.7515 -7.7515 -7.7515 -7.7515 1.0107 1.0107 1.0107 1.0107 1.9652 1.9652 1.9652 1.9652 2.6445 2.6445 2.6445 2.6445 3.0361 3.0361 3.0361 3.0361 4.0030 4.0030 4.0030 4.0030 4.1904 4.1904 4.1904 4.1904 12.1117 12.1117 12.1117 12.1117 12.4621 12.4621 12.4621 12.4621 12.8903 12.8903 k = 0.5000 0.5000 0.1428 ( 4172 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6954 -16.6954 -16.6954 -16.6954 -14.4006 -14.4006 -14.4006 -14.4006 -14.1086 -14.1086 -14.1086 -14.1086 -13.7057 -13.7057 -13.7057 -13.7057 -7.7509 -7.7509 -7.7509 -7.7509 1.0045 1.0045 1.0045 1.0045 1.9544 1.9544 1.9544 1.9544 2.6655 2.6655 2.6655 2.6655 3.0361 3.0361 3.0361 3.0361 4.0088 4.0088 4.0088 4.0088 4.1790 4.1790 4.1790 4.1790 12.1353 12.1353 12.1353 12.1353 12.4570 12.4570 12.4570 12.4570 12.8791 12.8791 k = 0.5000 0.5000 0.1547 ( 4172 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6954 -16.6954 -16.6954 -16.6954 -14.4007 -14.4007 -14.4007 -14.4007 -14.1088 -14.1088 -14.1088 -14.1088 -13.7055 -13.7055 -13.7055 -13.7055 -7.7502 -7.7502 -7.7502 -7.7502 0.9984 0.9984 0.9984 0.9984 1.9441 1.9441 1.9441 1.9441 2.6861 2.6861 2.6861 2.6861 3.0361 3.0361 3.0361 3.0361 4.0144 4.0144 4.0144 4.0144 4.1675 4.1675 4.1675 4.1675 12.1597 12.1597 12.1597 12.1597 12.4521 12.4521 12.4521 12.4521 12.8672 12.8672 k = 0.5000 0.5000 0.1666 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6953 -16.6953 -16.6953 -16.6953 -14.4008 -14.4008 -14.4008 -14.4008 -14.1089 -14.1089 -14.1089 -14.1089 -13.7054 -13.7054 -13.7054 -13.7054 -7.7496 -7.7496 -7.7496 -7.7496 0.9924 0.9924 0.9924 0.9924 1.9345 1.9345 1.9345 1.9345 2.7061 2.7061 2.7061 2.7061 3.0362 3.0362 3.0362 3.0362 4.0196 4.0196 4.0196 4.0196 4.1562 4.1562 4.1562 4.1562 12.1847 12.1847 12.1847 12.1847 12.4476 12.4476 12.4476 12.4476 12.8547 12.8547 k = 0.5000 0.5000 0.1785 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6953 -16.6953 -16.6953 -16.6953 -14.4009 -14.4009 -14.4009 -14.4009 -14.1090 -14.1090 -14.1090 -14.1090 -13.7052 -13.7052 -13.7052 -13.7052 -7.7490 -7.7490 -7.7490 -7.7490 0.9866 0.9866 0.9866 0.9866 1.9255 1.9255 1.9255 1.9255 2.7253 2.7253 2.7253 2.7253 3.0362 3.0362 3.0362 3.0362 4.0242 4.0242 4.0242 4.0242 4.1456 4.1456 4.1456 4.1456 12.2099 12.2099 12.2099 12.2099 12.4435 12.4435 12.4435 12.4435 12.8417 12.8417 k = 0.5000 0.5000 0.1904 ( 4152 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6953 -16.6953 -16.6953 -16.6953 -14.4010 -14.4010 -14.4010 -14.4010 -14.1091 -14.1091 -14.1091 -14.1091 -13.7051 -13.7051 -13.7051 -13.7051 -7.7485 -7.7485 -7.7485 -7.7485 0.9811 0.9811 0.9811 0.9811 1.9173 1.9173 1.9173 1.9173 2.7434 2.7434 2.7434 2.7434 3.0363 3.0363 3.0363 3.0363 4.0279 4.0279 4.0279 4.0279 4.1358 4.1358 4.1358 4.1358 12.2350 12.2350 12.2350 12.2350 12.4398 12.4398 12.4398 12.4398 12.8285 12.8285 k = 0.5000 0.5000 0.2023 ( 4152 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6953 -16.6953 -16.6953 -16.6953 -14.4011 -14.4011 -14.4011 -14.4011 -14.1092 -14.1092 -14.1092 -14.1092 -13.7049 -13.7049 -13.7049 -13.7049 -7.7480 -7.7480 -7.7480 -7.7480 0.9761 0.9761 0.9761 0.9761 1.9100 1.9100 1.9100 1.9100 2.7602 2.7602 2.7602 2.7602 3.0363 3.0363 3.0363 3.0363 4.0308 4.0308 4.0308 4.0308 4.1272 4.1272 4.1272 4.1272 12.2595 12.2595 12.2595 12.2595 12.4365 12.4365 12.4365 12.4365 12.8151 12.8151 k = 0.5000 0.5000 0.2142 ( 4144 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4011 -14.4011 -14.4011 -14.4011 -14.1093 -14.1093 -14.1093 -14.1093 -13.7048 -13.7048 -13.7048 -13.7048 -7.7475 -7.7475 -7.7475 -7.7475 0.9715 0.9715 0.9715 0.9715 1.9035 1.9035 1.9035 1.9035 2.7753 2.7753 2.7753 2.7753 3.0363 3.0363 3.0363 3.0363 4.0326 4.0326 4.0326 4.0326 4.1200 4.1200 4.1200 4.1200 12.2828 12.2828 12.2828 12.2828 12.4337 12.4337 12.4337 12.4337 12.8020 12.8020 k = 0.5000 0.5000 0.2261 ( 4140 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4012 -14.4012 -14.4012 -14.4012 -14.1094 -14.1094 -14.1094 -14.1094 -13.7047 -13.7047 -13.7047 -13.7047 -7.7471 -7.7471 -7.7471 -7.7471 0.9676 0.9676 0.9676 0.9676 1.8980 1.8980 1.8980 1.8980 2.7886 2.7886 2.7886 2.7886 3.0364 3.0364 3.0364 3.0364 4.0333 4.0333 4.0333 4.0333 4.1144 4.1144 4.1144 4.1144 12.3043 12.3043 12.3043 12.3043 12.4312 12.4312 12.4312 12.4312 12.7895 12.7895 k = 0.5000 0.5000 0.2380 ( 4148 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4013 -14.4013 -14.4013 -14.4013 -14.1095 -14.1095 -14.1095 -14.1095 -13.7046 -13.7046 -13.7046 -13.7046 -7.7467 -7.7467 -7.7467 -7.7467 0.9642 0.9642 0.9642 0.9642 1.8934 1.8934 1.8934 1.8934 2.7997 2.7997 2.7997 2.7997 3.0364 3.0364 3.0364 3.0364 4.0332 4.0332 4.0332 4.0332 4.1103 4.1103 4.1103 4.1103 12.3235 12.3235 12.3235 12.3235 12.4292 12.4292 12.4292 12.4292 12.7780 12.7780 k = 0.5000 0.5000 0.2499 ( 4164 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4014 -14.4014 -14.4014 -14.4014 -14.1096 -14.1096 -14.1096 -14.1096 -13.7046 -13.7046 -13.7046 -13.7046 -7.7465 -7.7465 -7.7465 -7.7465 0.9615 0.9615 0.9615 0.9615 1.8898 1.8898 1.8898 1.8898 2.8086 2.8086 2.8086 2.8086 3.0364 3.0364 3.0364 3.0364 4.0324 4.0324 4.0324 4.0324 4.1075 4.1075 4.1075 4.1075 12.3395 12.3395 12.3395 12.3395 12.4276 12.4276 12.4276 12.4276 12.7680 12.7680 k = 0.5000 0.5000 0.2618 ( 4160 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4014 -14.4014 -14.4014 -14.4014 -14.1096 -14.1096 -14.1096 -14.1096 -13.7046 -13.7046 -13.7046 -13.7046 -7.7462 -7.7462 -7.7462 -7.7462 0.9596 0.9596 0.9596 0.9596 1.8872 1.8872 1.8872 1.8872 2.8151 2.8151 2.8151 2.8151 3.0365 3.0365 3.0365 3.0365 4.0316 4.0316 4.0316 4.0316 4.1058 4.1058 4.1058 4.1058 12.3517 12.3517 12.3517 12.3517 12.4265 12.4265 12.4265 12.4265 12.7603 12.7603 k = 0.5000 0.5000 0.2737 ( 4160 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4014 -14.4014 -14.4014 -14.4014 -14.1096 -14.1096 -14.1096 -14.1096 -13.7045 -13.7045 -13.7045 -13.7045 -7.7461 -7.7461 -7.7461 -7.7461 0.9584 0.9584 0.9584 0.9584 1.8857 1.8857 1.8857 1.8857 2.8191 2.8191 2.8191 2.8191 3.0365 3.0365 3.0365 3.0365 4.0309 4.0309 4.0309 4.0309 4.1049 4.1049 4.1049 4.1049 12.3594 12.3594 12.3594 12.3594 12.4258 12.4258 12.4258 12.4258 12.7554 12.7554 k = 0.5000 0.5000 0.2856 ( 4168 PWs) bands (ev): -33.1923 -33.1923 -33.1923 -33.1923 -16.6952 -16.6952 -16.6952 -16.6952 -14.4014 -14.4014 -14.4014 -14.4014 -14.1096 -14.1096 -14.1096 -14.1096 -13.7045 -13.7045 -13.7045 -13.7045 -7.7461 -7.7461 -7.7461 -7.7461 0.9581 0.9581 0.9581 0.9581 1.8852 1.8852 1.8852 1.8852 2.8204 2.8204 2.8204 2.8204 3.0365 3.0365 3.0365 3.0365 4.0306 4.0306 4.0306 4.0306 4.1046 4.1046 4.1046 4.1046 12.3620 12.3620 12.3620 12.3620 12.4255 12.4255 12.4255 12.4255 12.7538 12.7538 Writing output data file CaClF.save init_run : 0.40s CPU 0.77s WALL ( 1 calls) electrons : 390.80s CPU 397.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 390.80s CPU 397.47s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 361 calls) cegterg : 373.43s CPU 378.47s WALL ( 1214 calls) Called by sum_band: Called by *egterg: h_psi : 153.28s CPU 155.61s WALL ( 22516 calls) s_psi : 12.34s CPU 12.63s WALL ( 22516 calls) g_psi : 0.48s CPU 0.48s WALL ( 20941 calls) cdiaghg : 175.39s CPU 177.19s WALL ( 21302 calls) cegterg:over : 14.53s CPU 14.60s WALL ( 20941 calls) cegterg:upda : 14.55s CPU 15.25s WALL ( 20941 calls) cegterg:last : 6.26s CPU 6.29s WALL ( 2468 calls) cdiaghg:chol : 9.56s CPU 9.91s WALL ( 21302 calls) cdiaghg:inve : 6.84s CPU 6.90s WALL ( 21302 calls) cdiaghg:para : 10.90s CPU 11.15s WALL ( 42604 calls) Called by h_psi: h_psi:vloc : 124.30s CPU 126.47s WALL ( 22516 calls) h_psi:vnl : 28.40s CPU 28.61s WALL ( 22516 calls) add_vuspsi : 14.99s CPU 15.08s WALL ( 22516 calls) General routines calbec : 13.34s CPU 13.48s WALL ( 22516 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.27s CPU 117.16s WALL ( 1673876 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.32s WALL ( 722 calls) Parallel routines fft_scatter : 47.85s CPU 48.22s WALL ( 1673899 calls) PWSCF : 6m50.92s CPU 7m23.84s WALL This run was terminated on: 16:43:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=