Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:52:54 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: ./GeSe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 12 3 727 496 85 Max 16 13 4 740 512 96 Sum 557 435 143 26363 18157 3273 bravais-lattice index = 14 lattice parameter (alat) = 7.2188 a.u. unit-cell volume = 1218.3033 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 23.0000 Ry charge density cutoff = 118.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.218753 celldm(2)= 1.146597 celldm(3)= 2.824607 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 1.146597 0.000000 ) a(3) = ( 0.000000 0.000000 2.824607 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.872146 -0.000000 ) b(3) = ( 0.000000 0.000000 0.354032 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Ge 4.00 72.64000 Ge( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5732984 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.4123037 ) 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 [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5732984 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4123037 ) 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 [0,1,0] -C2 -2 180 deg rotation - cart. axis [0,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [0,1,0] E Cartesian axes number of k points= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0026042 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0026042 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0026042 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0026042 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0026042 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0026042 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0026042 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0026042 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0026042 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0026042 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0026042 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0026042 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0026042 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0026042 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0026042 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0026042 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0026042 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0026042 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0026042 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0026042 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0026042 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0026042 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0026042 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0026042 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0026042 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0026042 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0026042 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0026042 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0026042 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0026042 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0026042 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0026042 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0026042 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0026042 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0026042 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0026042 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0026042 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026042 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026042 k( 45) = ( 0.5000000 0.0121131 -0.0000000), wk = 0.0026042 k( 46) = ( 0.5000000 0.0242263 -0.0000000), wk = 0.0026042 k( 47) = ( 0.5000000 0.0363394 -0.0000000), wk = 0.0026042 k( 48) = ( 0.5000000 0.0484526 -0.0000000), wk = 0.0026042 k( 49) = ( 0.5000000 0.0605657 -0.0000000), wk = 0.0026042 k( 50) = ( 0.5000000 0.0726788 -0.0000000), wk = 0.0026042 k( 51) = ( 0.5000000 0.0847920 -0.0000000), wk = 0.0026042 k( 52) = ( 0.5000000 0.0969051 -0.0000000), wk = 0.0026042 k( 53) = ( 0.5000000 0.1090183 -0.0000000), wk = 0.0026042 k( 54) = ( 0.5000000 0.1211314 -0.0000000), wk = 0.0026042 k( 55) = ( 0.5000000 0.1332445 -0.0000000), wk = 0.0026042 k( 56) = ( 0.5000000 0.1453577 -0.0000000), wk = 0.0026042 k( 57) = ( 0.5000000 0.1574708 -0.0000000), wk = 0.0026042 k( 58) = ( 0.5000000 0.1695840 -0.0000000), wk = 0.0026042 k( 59) = ( 0.5000000 0.1816971 -0.0000000), wk = 0.0026042 k( 60) = ( 0.5000000 0.1938102 -0.0000000), wk = 0.0026042 k( 61) = ( 0.5000000 0.2059234 -0.0000000), wk = 0.0026042 k( 62) = ( 0.5000000 0.2180365 -0.0000000), wk = 0.0026042 k( 63) = ( 0.5000000 0.2301497 -0.0000000), wk = 0.0026042 k( 64) = ( 0.5000000 0.2422628 -0.0000000), wk = 0.0026042 k( 65) = ( 0.5000000 0.2543760 -0.0000000), wk = 0.0026042 k( 66) = ( 0.5000000 0.2664891 -0.0000000), wk = 0.0026042 k( 67) = ( 0.5000000 0.2786022 -0.0000000), wk = 0.0026042 k( 68) = ( 0.5000000 0.2907154 -0.0000000), wk = 0.0026042 k( 69) = ( 0.5000000 0.3028285 -0.0000000), wk = 0.0026042 k( 70) = ( 0.5000000 0.3149417 -0.0000000), wk = 0.0026042 k( 71) = ( 0.5000000 0.3270548 -0.0000000), wk = 0.0026042 k( 72) = ( 0.5000000 0.3391679 -0.0000000), wk = 0.0026042 k( 73) = ( 0.5000000 0.3512811 -0.0000000), wk = 0.0026042 k( 74) = ( 0.5000000 0.3633942 -0.0000000), wk = 0.0026042 k( 75) = ( 0.5000000 0.3755074 -0.0000000), wk = 0.0026042 k( 76) = ( 0.5000000 0.3876205 -0.0000000), wk = 0.0026042 k( 77) = ( 0.5000000 0.3997336 -0.0000000), wk = 0.0026042 k( 78) = ( 0.5000000 0.4118468 -0.0000000), wk = 0.0026042 k( 79) = ( 0.5000000 0.4239599 -0.0000000), wk = 0.0026042 k( 80) = ( 0.5000000 0.4360731 -0.0000000), wk = 0.0026042 k( 81) = ( 0.5000000 0.4360731 -0.0000000), wk = 0.0026042 k( 82) = ( 0.4880952 0.4360731 -0.0000000), wk = 0.0026042 k( 83) = ( 0.4761905 0.4360731 -0.0000000), wk = 0.0026042 k( 84) = ( 0.4642857 0.4360731 -0.0000000), wk = 0.0026042 k( 85) = ( 0.4523810 0.4360731 -0.0000000), wk = 0.0026042 k( 86) = ( 0.4404762 0.4360731 -0.0000000), wk = 0.0026042 k( 87) = ( 0.4285714 0.4360731 -0.0000000), wk = 0.0026042 k( 88) = ( 0.4166667 0.4360731 -0.0000000), wk = 0.0026042 k( 89) = ( 0.4047619 0.4360731 -0.0000000), wk = 0.0026042 k( 90) = ( 0.3928571 0.4360731 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3809524 0.4360731 -0.0000000), wk = 0.0026042 k( 92) = ( 0.3690476 0.4360731 -0.0000000), wk = 0.0026042 k( 93) = ( 0.3571429 0.4360731 -0.0000000), wk = 0.0026042 k( 94) = ( 0.3452381 0.4360731 -0.0000000), wk = 0.0026042 k( 95) = ( 0.3333333 0.4360731 -0.0000000), wk = 0.0026042 k( 96) = ( 0.3214286 0.4360731 -0.0000000), wk = 0.0026042 k( 97) = ( 0.3095238 0.4360731 -0.0000000), wk = 0.0026042 k( 98) = ( 0.2976190 0.4360731 -0.0000000), wk = 0.0026042 k( 99) = ( 0.2857143 0.4360731 -0.0000000), wk = 0.0026042 k( 100) = ( 0.2738095 0.4360731 -0.0000000), wk = 0.0026042 k( 101) = ( 0.2619048 0.4360731 -0.0000000), wk = 0.0026042 k( 102) = ( 0.2500000 0.4360731 -0.0000000), wk = 0.0026042 k( 103) = ( 0.2380952 0.4360731 -0.0000000), wk = 0.0026042 k( 104) = ( 0.2261905 0.4360731 -0.0000000), wk = 0.0026042 k( 105) = ( 0.2142857 0.4360731 -0.0000000), wk = 0.0026042 k( 106) = ( 0.2023810 0.4360731 -0.0000000), wk = 0.0026042 k( 107) = ( 0.1904762 0.4360731 -0.0000000), wk = 0.0026042 k( 108) = ( 0.1785714 0.4360731 -0.0000000), wk = 0.0026042 k( 109) = ( 0.1666667 0.4360731 -0.0000000), wk = 0.0026042 k( 110) = ( 0.1547619 0.4360731 -0.0000000), wk = 0.0026042 k( 111) = ( 0.1428571 0.4360731 -0.0000000), wk = 0.0026042 k( 112) = ( 0.1309524 0.4360731 -0.0000000), wk = 0.0026042 k( 113) = ( 0.1190476 0.4360731 -0.0000000), wk = 0.0026042 k( 114) = ( 0.1071429 0.4360731 -0.0000000), wk = 0.0026042 k( 115) = ( 0.0952381 0.4360731 -0.0000000), wk = 0.0026042 k( 116) = ( 0.0833333 0.4360731 -0.0000000), wk = 0.0026042 k( 117) = ( 0.0714286 0.4360731 -0.0000000), wk = 0.0026042 k( 118) = ( 0.0595238 0.4360731 -0.0000000), wk = 0.0026042 k( 119) = ( 0.0476191 0.4360731 -0.0000000), wk = 0.0026042 k( 120) = ( 0.0357143 0.4360731 -0.0000000), wk = 0.0026042 k( 121) = ( 0.0238095 0.4360731 -0.0000000), wk = 0.0026042 k( 122) = ( 0.0119048 0.4360731 -0.0000000), wk = 0.0026042 k( 123) = ( 0.0000000 0.4360731 -0.0000000), wk = 0.0026042 k( 124) = ( 0.0000000 0.4360731 -0.0000000), wk = 0.0026042 k( 125) = ( 0.0000000 0.4239599 -0.0000000), wk = 0.0026042 k( 126) = ( 0.0000000 0.4118468 -0.0000000), wk = 0.0026042 k( 127) = ( 0.0000000 0.3997336 -0.0000000), wk = 0.0026042 k( 128) = ( 0.0000000 0.3876205 -0.0000000), wk = 0.0026042 k( 129) = ( 0.0000000 0.3755074 -0.0000000), wk = 0.0026042 k( 130) = ( 0.0000000 0.3633942 -0.0000000), wk = 0.0026042 k( 131) = ( 0.0000000 0.3512811 -0.0000000), wk = 0.0026042 k( 132) = ( 0.0000000 0.3391679 -0.0000000), wk = 0.0026042 k( 133) = ( 0.0000000 0.3270548 -0.0000000), wk = 0.0026042 k( 134) = ( 0.0000000 0.3149417 -0.0000000), wk = 0.0026042 k( 135) = ( 0.0000000 0.3028285 -0.0000000), wk = 0.0026042 k( 136) = ( 0.0000000 0.2907154 -0.0000000), wk = 0.0026042 k( 137) = ( 0.0000000 0.2786022 -0.0000000), wk = 0.0026042 k( 138) = ( 0.0000000 0.2664891 -0.0000000), wk = 0.0026042 k( 139) = ( 0.0000000 0.2543760 -0.0000000), wk = 0.0026042 k( 140) = ( 0.0000000 0.2422628 -0.0000000), wk = 0.0026042 k( 141) = ( 0.0000000 0.2301497 -0.0000000), wk = 0.0026042 k( 142) = ( 0.0000000 0.2180365 -0.0000000), wk = 0.0026042 k( 143) = ( 0.0000000 0.2059234 -0.0000000), wk = 0.0026042 k( 144) = ( 0.0000000 0.1938102 -0.0000000), wk = 0.0026042 k( 145) = ( 0.0000000 0.1816971 -0.0000000), wk = 0.0026042 k( 146) = ( 0.0000000 0.1695840 -0.0000000), wk = 0.0026042 k( 147) = ( 0.0000000 0.1574708 -0.0000000), wk = 0.0026042 k( 148) = ( 0.0000000 0.1453577 -0.0000000), wk = 0.0026042 k( 149) = ( 0.0000000 0.1332445 -0.0000000), wk = 0.0026042 k( 150) = ( 0.0000000 0.1211314 -0.0000000), wk = 0.0026042 k( 151) = ( 0.0000000 0.1090183 -0.0000000), wk = 0.0026042 k( 152) = ( 0.0000000 0.0969051 -0.0000000), wk = 0.0026042 k( 153) = ( 0.0000000 0.0847920 -0.0000000), wk = 0.0026042 k( 154) = ( 0.0000000 0.0726788 -0.0000000), wk = 0.0026042 k( 155) = ( 0.0000000 0.0605657 -0.0000000), wk = 0.0026042 k( 156) = ( 0.0000000 0.0484526 -0.0000000), wk = 0.0026042 k( 157) = ( 0.0000000 0.0363394 -0.0000000), wk = 0.0026042 k( 158) = ( 0.0000000 0.0242263 -0.0000000), wk = 0.0026042 k( 159) = ( 0.0000000 0.0121131 -0.0000000), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.0118010), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.0236021), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.0354032), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.0472042), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.0590053), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.0708063), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.0826074), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.0944084), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.1062095), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.1180105), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.1298116), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.1416126), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.1534137), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.1652147), wk = 0.0026042 k( 176) = ( 0.0000000 0.0000000 0.1770158), wk = 0.0026042 k( 177) = ( 0.0000000 0.0000000 0.1770158), wk = 0.0026042 k( 178) = ( 0.0119048 -0.0000000 0.1770158), wk = 0.0026042 k( 179) = ( 0.0238095 -0.0000000 0.1770158), wk = 0.0026042 k( 180) = ( 0.0357143 -0.0000000 0.1770158), wk = 0.0026042 k( 181) = ( 0.0476191 -0.0000000 0.1770158), wk = 0.0026042 k( 182) = ( 0.0595238 -0.0000000 0.1770158), wk = 0.0026042 k( 183) = ( 0.0714286 -0.0000000 0.1770158), wk = 0.0026042 k( 184) = ( 0.0833333 -0.0000000 0.1770158), wk = 0.0026042 k( 185) = ( 0.0952381 -0.0000000 0.1770158), wk = 0.0026042 k( 186) = ( 0.1071429 -0.0000000 0.1770158), wk = 0.0026042 k( 187) = ( 0.1190476 -0.0000000 0.1770158), wk = 0.0026042 k( 188) = ( 0.1309524 -0.0000000 0.1770158), wk = 0.0026042 k( 189) = ( 0.1428571 -0.0000000 0.1770158), wk = 0.0026042 k( 190) = ( 0.1547619 -0.0000000 0.1770158), wk = 0.0026042 k( 191) = ( 0.1666667 -0.0000000 0.1770158), wk = 0.0026042 k( 192) = ( 0.1785714 -0.0000000 0.1770158), wk = 0.0026042 k( 193) = ( 0.1904762 -0.0000000 0.1770158), wk = 0.0026042 k( 194) = ( 0.2023810 -0.0000000 0.1770158), wk = 0.0026042 k( 195) = ( 0.2142857 -0.0000000 0.1770158), wk = 0.0026042 k( 196) = ( 0.2261905 -0.0000000 0.1770158), wk = 0.0026042 k( 197) = ( 0.2380952 -0.0000000 0.1770158), wk = 0.0026042 k( 198) = ( 0.2500000 -0.0000000 0.1770158), wk = 0.0026042 k( 199) = ( 0.2619048 -0.0000000 0.1770158), wk = 0.0026042 k( 200) = ( 0.2738095 -0.0000000 0.1770158), wk = 0.0026042 k( 201) = ( 0.2857143 -0.0000000 0.1770158), wk = 0.0026042 k( 202) = ( 0.2976190 -0.0000000 0.1770158), wk = 0.0026042 k( 203) = ( 0.3095238 -0.0000000 0.1770158), wk = 0.0026042 k( 204) = ( 0.3214286 -0.0000000 0.1770158), wk = 0.0026042 k( 205) = ( 0.3333333 -0.0000000 0.1770158), wk = 0.0026042 k( 206) = ( 0.3452381 -0.0000000 0.1770158), wk = 0.0026042 k( 207) = ( 0.3571429 -0.0000000 0.1770158), wk = 0.0026042 k( 208) = ( 0.3690476 -0.0000000 0.1770158), wk = 0.0026042 k( 209) = ( 0.3809524 -0.0000000 0.1770158), wk = 0.0026042 k( 210) = ( 0.3928571 -0.0000000 0.1770158), wk = 0.0026042 k( 211) = ( 0.4047619 -0.0000000 0.1770158), wk = 0.0026042 k( 212) = ( 0.4166667 -0.0000000 0.1770158), wk = 0.0026042 k( 213) = ( 0.4285714 -0.0000000 0.1770158), wk = 0.0026042 k( 214) = ( 0.4404762 -0.0000000 0.1770158), wk = 0.0026042 k( 215) = ( 0.4523810 -0.0000000 0.1770158), wk = 0.0026042 k( 216) = ( 0.4642857 -0.0000000 0.1770158), wk = 0.0026042 k( 217) = ( 0.4761905 -0.0000000 0.1770158), wk = 0.0026042 k( 218) = ( 0.4880952 -0.0000000 0.1770158), wk = 0.0026042 k( 219) = ( 0.5000000 -0.0000000 0.1770158), wk = 0.0026042 k( 220) = ( 0.5000000 -0.0000000 0.1770158), wk = 0.0026042 k( 221) = ( 0.5000000 0.0121131 0.1770158), wk = 0.0026042 k( 222) = ( 0.5000000 0.0242263 0.1770158), wk = 0.0026042 k( 223) = ( 0.5000000 0.0363394 0.1770158), wk = 0.0026042 k( 224) = ( 0.5000000 0.0484526 0.1770158), wk = 0.0026042 k( 225) = ( 0.5000000 0.0605657 0.1770158), wk = 0.0026042 k( 226) = ( 0.5000000 0.0726788 0.1770158), wk = 0.0026042 k( 227) = ( 0.5000000 0.0847920 0.1770158), wk = 0.0026042 k( 228) = ( 0.5000000 0.0969051 0.1770158), wk = 0.0026042 k( 229) = ( 0.5000000 0.1090183 0.1770158), wk = 0.0026042 k( 230) = ( 0.5000000 0.1211314 0.1770158), wk = 0.0026042 k( 231) = ( 0.5000000 0.1332445 0.1770158), wk = 0.0026042 k( 232) = ( 0.5000000 0.1453577 0.1770158), wk = 0.0026042 k( 233) = ( 0.5000000 0.1574708 0.1770158), wk = 0.0026042 k( 234) = ( 0.5000000 0.1695840 0.1770158), wk = 0.0026042 k( 235) = ( 0.5000000 0.1816971 0.1770158), wk = 0.0026042 k( 236) = ( 0.5000000 0.1938102 0.1770158), wk = 0.0026042 k( 237) = ( 0.5000000 0.2059234 0.1770158), wk = 0.0026042 k( 238) = ( 0.5000000 0.2180365 0.1770158), wk = 0.0026042 k( 239) = ( 0.5000000 0.2301497 0.1770158), wk = 0.0026042 k( 240) = ( 0.5000000 0.2422628 0.1770158), wk = 0.0026042 k( 241) = ( 0.5000000 0.2543760 0.1770158), wk = 0.0026042 k( 242) = ( 0.5000000 0.2664891 0.1770158), wk = 0.0026042 k( 243) = ( 0.5000000 0.2786022 0.1770158), wk = 0.0026042 k( 244) = ( 0.5000000 0.2907154 0.1770158), wk = 0.0026042 k( 245) = ( 0.5000000 0.3028285 0.1770158), wk = 0.0026042 k( 246) = ( 0.5000000 0.3149417 0.1770158), wk = 0.0026042 k( 247) = ( 0.5000000 0.3270548 0.1770158), wk = 0.0026042 k( 248) = ( 0.5000000 0.3391679 0.1770158), wk = 0.0026042 k( 249) = ( 0.5000000 0.3512811 0.1770158), wk = 0.0026042 k( 250) = ( 0.5000000 0.3633942 0.1770158), wk = 0.0026042 k( 251) = ( 0.5000000 0.3755074 0.1770158), wk = 0.0026042 k( 252) = ( 0.5000000 0.3876205 0.1770158), wk = 0.0026042 k( 253) = ( 0.5000000 0.3997336 0.1770158), wk = 0.0026042 k( 254) = ( 0.5000000 0.4118468 0.1770158), wk = 0.0026042 k( 255) = ( 0.5000000 0.4239599 0.1770158), wk = 0.0026042 k( 256) = ( 0.5000000 0.4360731 0.1770158), wk = 0.0026042 k( 257) = ( 0.5000000 0.4360731 0.1770158), wk = 0.0026042 k( 258) = ( 0.4880952 0.4360731 0.1770158), wk = 0.0026042 k( 259) = ( 0.4761905 0.4360731 0.1770158), wk = 0.0026042 k( 260) = ( 0.4642857 0.4360731 0.1770158), wk = 0.0026042 k( 261) = ( 0.4523810 0.4360731 0.1770158), wk = 0.0026042 k( 262) = ( 0.4404762 0.4360731 0.1770158), wk = 0.0026042 k( 263) = ( 0.4285714 0.4360731 0.1770158), wk = 0.0026042 k( 264) = ( 0.4166667 0.4360731 0.1770158), wk = 0.0026042 k( 265) = ( 0.4047619 0.4360731 0.1770158), wk = 0.0026042 k( 266) = ( 0.3928571 0.4360731 0.1770158), wk = 0.0026042 k( 267) = ( 0.3809524 0.4360731 0.1770158), wk = 0.0026042 k( 268) = ( 0.3690476 0.4360731 0.1770158), wk = 0.0026042 k( 269) = ( 0.3571429 0.4360731 0.1770158), wk = 0.0026042 k( 270) = ( 0.3452381 0.4360731 0.1770158), wk = 0.0026042 k( 271) = ( 0.3333333 0.4360731 0.1770158), wk = 0.0026042 k( 272) = ( 0.3214286 0.4360731 0.1770158), wk = 0.0026042 k( 273) = ( 0.3095238 0.4360731 0.1770158), wk = 0.0026042 k( 274) = ( 0.2976190 0.4360731 0.1770158), wk = 0.0026042 k( 275) = ( 0.2857143 0.4360731 0.1770158), wk = 0.0026042 k( 276) = ( 0.2738095 0.4360731 0.1770158), wk = 0.0026042 k( 277) = ( 0.2619048 0.4360731 0.1770158), wk = 0.0026042 k( 278) = ( 0.2500000 0.4360731 0.1770158), wk = 0.0026042 k( 279) = ( 0.2380952 0.4360731 0.1770158), wk = 0.0026042 k( 280) = ( 0.2261905 0.4360731 0.1770158), wk = 0.0026042 k( 281) = ( 0.2142857 0.4360731 0.1770158), wk = 0.0026042 k( 282) = ( 0.2023810 0.4360731 0.1770158), wk = 0.0026042 k( 283) = ( 0.1904762 0.4360731 0.1770158), wk = 0.0026042 k( 284) = ( 0.1785714 0.4360731 0.1770158), wk = 0.0026042 k( 285) = ( 0.1666667 0.4360731 0.1770158), wk = 0.0026042 k( 286) = ( 0.1547619 0.4360731 0.1770158), wk = 0.0026042 k( 287) = ( 0.1428571 0.4360731 0.1770158), wk = 0.0026042 k( 288) = ( 0.1309524 0.4360731 0.1770158), wk = 0.0026042 k( 289) = ( 0.1190476 0.4360731 0.1770158), wk = 0.0026042 k( 290) = ( 0.1071429 0.4360731 0.1770158), wk = 0.0026042 k( 291) = ( 0.0952381 0.4360731 0.1770158), wk = 0.0026042 k( 292) = ( 0.0833333 0.4360731 0.1770158), wk = 0.0026042 k( 293) = ( 0.0714286 0.4360731 0.1770158), wk = 0.0026042 k( 294) = ( 0.0595238 0.4360731 0.1770158), wk = 0.0026042 k( 295) = ( 0.0476191 0.4360731 0.1770158), wk = 0.0026042 k( 296) = ( 0.0357143 0.4360731 0.1770158), wk = 0.0026042 k( 297) = ( 0.0238095 0.4360731 0.1770158), wk = 0.0026042 k( 298) = ( 0.0119048 0.4360731 0.1770158), wk = 0.0026042 k( 299) = ( 0.0000000 0.4360731 0.1770158), wk = 0.0026042 k( 300) = ( 0.0000000 0.4360731 0.1770158), wk = 0.0026042 k( 301) = ( 0.0000000 0.4239599 0.1770158), wk = 0.0026042 k( 302) = ( 0.0000000 0.4118468 0.1770158), wk = 0.0026042 k( 303) = ( 0.0000000 0.3997336 0.1770158), wk = 0.0026042 k( 304) = ( 0.0000000 0.3876205 0.1770158), wk = 0.0026042 k( 305) = ( 0.0000000 0.3755074 0.1770158), wk = 0.0026042 k( 306) = ( 0.0000000 0.3633942 0.1770158), wk = 0.0026042 k( 307) = ( 0.0000000 0.3512811 0.1770158), wk = 0.0026042 k( 308) = ( 0.0000000 0.3391679 0.1770158), wk = 0.0026042 k( 309) = ( 0.0000000 0.3270548 0.1770158), wk = 0.0026042 k( 310) = ( 0.0000000 0.3149417 0.1770158), wk = 0.0026042 k( 311) = ( 0.0000000 0.3028285 0.1770158), wk = 0.0026042 k( 312) = ( 0.0000000 0.2907154 0.1770158), wk = 0.0026042 k( 313) = ( 0.0000000 0.2786022 0.1770158), wk = 0.0026042 k( 314) = ( 0.0000000 0.2664891 0.1770158), wk = 0.0026042 k( 315) = ( 0.0000000 0.2543760 0.1770158), wk = 0.0026042 k( 316) = ( 0.0000000 0.2422628 0.1770158), wk = 0.0026042 k( 317) = ( 0.0000000 0.2301497 0.1770158), wk = 0.0026042 k( 318) = ( 0.0000000 0.2180365 0.1770158), wk = 0.0026042 k( 319) = ( 0.0000000 0.2059234 0.1770158), wk = 0.0026042 k( 320) = ( 0.0000000 0.1938102 0.1770158), wk = 0.0026042 k( 321) = ( 0.0000000 0.1816971 0.1770158), wk = 0.0026042 k( 322) = ( 0.0000000 0.1695840 0.1770158), wk = 0.0026042 k( 323) = ( 0.0000000 0.1574708 0.1770158), wk = 0.0026042 k( 324) = ( 0.0000000 0.1453577 0.1770158), wk = 0.0026042 k( 325) = ( 0.0000000 0.1332445 0.1770158), wk = 0.0026042 k( 326) = ( 0.0000000 0.1211314 0.1770158), wk = 0.0026042 k( 327) = ( 0.0000000 0.1090183 0.1770158), wk = 0.0026042 k( 328) = ( 0.0000000 0.0969051 0.1770158), wk = 0.0026042 k( 329) = ( 0.0000000 0.0847920 0.1770158), wk = 0.0026042 k( 330) = ( 0.0000000 0.0726788 0.1770158), wk = 0.0026042 k( 331) = ( 0.0000000 0.0605657 0.1770158), wk = 0.0026042 k( 332) = ( 0.0000000 0.0484526 0.1770158), wk = 0.0026042 k( 333) = ( 0.0000000 0.0363394 0.1770158), wk = 0.0026042 k( 334) = ( 0.0000000 0.0242263 0.1770158), wk = 0.0026042 k( 335) = ( 0.0000000 0.0121131 0.1770158), wk = 0.0026042 k( 336) = ( 0.0000000 0.0000000 0.1770158), wk = 0.0026042 k( 337) = ( 0.0000000 0.4360731 -0.0000000), wk = 0.0026042 k( 338) = ( 0.0000000 0.4360731 0.0118010), wk = 0.0026042 k( 339) = ( 0.0000000 0.4360731 0.0236021), wk = 0.0026042 k( 340) = ( 0.0000000 0.4360731 0.0354032), wk = 0.0026042 k( 341) = ( 0.0000000 0.4360731 0.0472042), wk = 0.0026042 k( 342) = ( 0.0000000 0.4360731 0.0590053), wk = 0.0026042 k( 343) = ( 0.0000000 0.4360731 0.0708063), wk = 0.0026042 k( 344) = ( 0.0000000 0.4360731 0.0826074), wk = 0.0026042 k( 345) = ( 0.0000000 0.4360731 0.0944084), wk = 0.0026042 k( 346) = ( 0.0000000 0.4360731 0.1062095), wk = 0.0026042 k( 347) = ( 0.0000000 0.4360731 0.1180105), wk = 0.0026042 k( 348) = ( 0.0000000 0.4360731 0.1298116), wk = 0.0026042 k( 349) = ( 0.0000000 0.4360731 0.1416126), wk = 0.0026042 k( 350) = ( 0.0000000 0.4360731 0.1534137), wk = 0.0026042 k( 351) = ( 0.0000000 0.4360731 0.1652147), wk = 0.0026042 k( 352) = ( 0.0000000 0.4360731 0.1770158), wk = 0.0026042 k( 353) = ( 0.5000000 -0.0000000 0.1770158), wk = 0.0026042 k( 354) = ( 0.5000000 -0.0000000 0.1652147), wk = 0.0026042 k( 355) = ( 0.5000000 -0.0000000 0.1534137), wk = 0.0026042 k( 356) = ( 0.5000000 -0.0000000 0.1416126), wk = 0.0026042 k( 357) = ( 0.5000000 -0.0000000 0.1298116), wk = 0.0026042 k( 358) = ( 0.5000000 -0.0000000 0.1180105), wk = 0.0026042 k( 359) = ( 0.5000000 -0.0000000 0.1062095), wk = 0.0026042 k( 360) = ( 0.5000000 -0.0000000 0.0944084), wk = 0.0026042 k( 361) = ( 0.5000000 -0.0000000 0.0826074), wk = 0.0026042 k( 362) = ( 0.5000000 -0.0000000 0.0708063), wk = 0.0026042 k( 363) = ( 0.5000000 -0.0000000 0.0590053), wk = 0.0026042 k( 364) = ( 0.5000000 -0.0000000 0.0472042), wk = 0.0026042 k( 365) = ( 0.5000000 -0.0000000 0.0354032), wk = 0.0026042 k( 366) = ( 0.5000000 -0.0000000 0.0236021), wk = 0.0026042 k( 367) = ( 0.5000000 -0.0000000 0.0118010), wk = 0.0026042 k( 368) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026042 k( 369) = ( 0.5000000 0.4360731 -0.0000000), wk = 0.0026042 k( 370) = ( 0.5000000 0.4360731 0.0118010), wk = 0.0026042 k( 371) = ( 0.5000000 0.4360731 0.0236021), wk = 0.0026042 k( 372) = ( 0.5000000 0.4360731 0.0354032), wk = 0.0026042 k( 373) = ( 0.5000000 0.4360731 0.0472042), wk = 0.0026042 k( 374) = ( 0.5000000 0.4360731 0.0590053), wk = 0.0026042 k( 375) = ( 0.5000000 0.4360731 0.0708063), wk = 0.0026042 k( 376) = ( 0.5000000 0.4360731 0.0826074), wk = 0.0026042 k( 377) = ( 0.5000000 0.4360731 0.0944084), wk = 0.0026042 k( 378) = ( 0.5000000 0.4360731 0.1062095), wk = 0.0026042 k( 379) = ( 0.5000000 0.4360731 0.1180105), wk = 0.0026042 k( 380) = ( 0.5000000 0.4360731 0.1298116), wk = 0.0026042 k( 381) = ( 0.5000000 0.4360731 0.1416126), wk = 0.0026042 k( 382) = ( 0.5000000 0.4360731 0.1534137), wk = 0.0026042 k( 383) = ( 0.5000000 0.4360731 0.1652147), wk = 0.0026042 k( 384) = ( 0.5000000 0.4360731 0.1770158), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0119048 -0.0000000 0.0000000), wk = 0.0026042 k( 3) = ( 0.0238095 -0.0000000 0.0000000), wk = 0.0026042 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0026042 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0026042 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0026042 k( 7) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0026042 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0026042 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0026042 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0026042 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0026042 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0026042 k( 13) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0026042 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0026042 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0026042 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0026042 k( 17) = ( 0.1904762 -0.0000000 0.0000000), wk = 0.0026042 k( 18) = ( 0.2023810 -0.0000000 0.0000000), wk = 0.0026042 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0026042 k( 20) = ( 0.2261905 -0.0000000 0.0000000), wk = 0.0026042 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0026042 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026042 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0026042 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0026042 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0026042 k( 26) = ( 0.2976190 -0.0000000 0.0000000), wk = 0.0026042 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0026042 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0026042 k( 29) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0026042 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0026042 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0026042 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0026042 k( 33) = ( 0.3809524 -0.0000000 0.0000000), wk = 0.0026042 k( 34) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0026042 k( 35) = ( 0.4047619 -0.0000000 0.0000000), wk = 0.0026042 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0026042 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0026042 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0026042 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0026042 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0026042 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0026042 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0026042 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 45) = ( 0.5000000 0.0138889 0.0000000), wk = 0.0026042 k( 46) = ( 0.5000000 0.0277778 0.0000000), wk = 0.0026042 k( 47) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0026042 k( 48) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0026042 k( 49) = ( 0.5000000 0.0694444 0.0000000), wk = 0.0026042 k( 50) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0026042 k( 51) = ( 0.5000000 0.0972222 0.0000000), wk = 0.0026042 k( 52) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0026042 k( 53) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0026042 k( 54) = ( 0.5000000 0.1388889 0.0000000), wk = 0.0026042 k( 55) = ( 0.5000000 0.1527778 0.0000000), wk = 0.0026042 k( 56) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0026042 k( 57) = ( 0.5000000 0.1805556 0.0000000), wk = 0.0026042 k( 58) = ( 0.5000000 0.1944444 0.0000000), wk = 0.0026042 k( 59) = ( 0.5000000 0.2083333 0.0000000), wk = 0.0026042 k( 60) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0026042 k( 61) = ( 0.5000000 0.2361111 -0.0000000), wk = 0.0026042 k( 62) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0026042 k( 63) = ( 0.5000000 0.2638889 0.0000000), wk = 0.0026042 k( 64) = ( 0.5000000 0.2777778 -0.0000000), wk = 0.0026042 k( 65) = ( 0.5000000 0.2916667 0.0000000), wk = 0.0026042 k( 66) = ( 0.5000000 0.3055556 0.0000000), wk = 0.0026042 k( 67) = ( 0.5000000 0.3194444 0.0000000), wk = 0.0026042 k( 68) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0026042 k( 69) = ( 0.5000000 0.3472222 -0.0000000), wk = 0.0026042 k( 70) = ( 0.5000000 0.3611111 -0.0000000), wk = 0.0026042 k( 71) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0026042 k( 72) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0026042 k( 73) = ( 0.5000000 0.4027778 0.0000000), wk = 0.0026042 k( 74) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0026042 k( 75) = ( 0.5000000 0.4305556 0.0000000), wk = 0.0026042 k( 76) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0026042 k( 77) = ( 0.5000000 0.4583333 -0.0000000), wk = 0.0026042 k( 78) = ( 0.5000000 0.4722222 0.0000000), wk = 0.0026042 k( 79) = ( 0.5000000 0.4861111 -0.0000000), wk = 0.0026042 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 82) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026042 k( 83) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0026042 k( 84) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026042 k( 85) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0026042 k( 86) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0026042 k( 87) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026042 k( 88) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026042 k( 89) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0026042 k( 90) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0026042 k( 92) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0026042 k( 93) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026042 k( 94) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0026042 k( 95) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026042 k( 96) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0026042 k( 97) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0026042 k( 98) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0026042 k( 99) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0026042 k( 100) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0026042 k( 101) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0026042 k( 102) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026042 k( 103) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026042 k( 104) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0026042 k( 105) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026042 k( 106) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026042 k( 107) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0026042 k( 108) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0026042 k( 109) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026042 k( 110) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026042 k( 111) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026042 k( 112) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0026042 k( 113) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0026042 k( 114) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026042 k( 115) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026042 k( 116) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0026042 k( 117) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026042 k( 118) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026042 k( 119) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0026042 k( 120) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026042 k( 121) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0026042 k( 122) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026042 k( 123) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 124) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 125) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0026042 k( 126) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0026042 k( 127) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0026042 k( 128) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0026042 k( 129) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0026042 k( 130) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0026042 k( 131) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0026042 k( 132) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0026042 k( 133) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0026042 k( 134) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0026042 k( 135) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0026042 k( 136) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026042 k( 137) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0026042 k( 138) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0026042 k( 139) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0026042 k( 140) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0026042 k( 141) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0026042 k( 142) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026042 k( 143) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0026042 k( 144) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0026042 k( 145) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0026042 k( 146) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0026042 k( 147) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0026042 k( 148) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0026042 k( 149) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0026042 k( 150) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0026042 k( 151) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0026042 k( 152) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0026042 k( 153) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0026042 k( 154) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0026042 k( 155) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0026042 k( 156) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026042 k( 157) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0026042 k( 158) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0026042 k( 159) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0026042 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 178) = ( 0.0119048 -0.0000000 0.5000000), wk = 0.0026042 k( 179) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0026042 k( 180) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0026042 k( 181) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0026042 k( 182) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0026042 k( 183) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0026042 k( 184) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0026042 k( 185) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0026042 k( 186) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0026042 k( 187) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0026042 k( 188) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0026042 k( 189) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0026042 k( 190) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0026042 k( 191) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0026042 k( 192) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0026042 k( 193) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0026042 k( 194) = ( 0.2023810 -0.0000000 0.5000000), wk = 0.0026042 k( 195) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0026042 k( 196) = ( 0.2261905 -0.0000000 0.5000000), wk = 0.0026042 k( 197) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0026042 k( 198) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026042 k( 199) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0026042 k( 200) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0026042 k( 201) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0026042 k( 202) = ( 0.2976190 -0.0000000 0.5000000), wk = 0.0026042 k( 203) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0026042 k( 204) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0026042 k( 205) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0026042 k( 206) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0026042 k( 207) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0026042 k( 208) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0026042 k( 209) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0026042 k( 210) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0026042 k( 211) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0026042 k( 212) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0026042 k( 213) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0026042 k( 214) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0026042 k( 215) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0026042 k( 216) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0026042 k( 217) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0026042 k( 218) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0026042 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 221) = ( 0.5000000 0.0138889 0.5000000), wk = 0.0026042 k( 222) = ( 0.5000000 0.0277778 0.5000000), wk = 0.0026042 k( 223) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0026042 k( 224) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0026042 k( 225) = ( 0.5000000 0.0694444 0.5000000), wk = 0.0026042 k( 226) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0026042 k( 227) = ( 0.5000000 0.0972222 0.5000000), wk = 0.0026042 k( 228) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0026042 k( 229) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0026042 k( 230) = ( 0.5000000 0.1388889 0.5000000), wk = 0.0026042 k( 231) = ( 0.5000000 0.1527778 0.5000000), wk = 0.0026042 k( 232) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0026042 k( 233) = ( 0.5000000 0.1805556 0.5000000), wk = 0.0026042 k( 234) = ( 0.5000000 0.1944444 0.5000000), wk = 0.0026042 k( 235) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0026042 k( 236) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0026042 k( 237) = ( 0.5000000 0.2361111 0.5000000), wk = 0.0026042 k( 238) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0026042 k( 239) = ( 0.5000000 0.2638889 0.5000000), wk = 0.0026042 k( 240) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0026042 k( 241) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0026042 k( 242) = ( 0.5000000 0.3055556 0.5000000), wk = 0.0026042 k( 243) = ( 0.5000000 0.3194444 0.5000000), wk = 0.0026042 k( 244) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0026042 k( 245) = ( 0.5000000 0.3472222 0.5000000), wk = 0.0026042 k( 246) = ( 0.5000000 0.3611111 0.5000000), wk = 0.0026042 k( 247) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0026042 k( 248) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0026042 k( 249) = ( 0.5000000 0.4027778 0.5000000), wk = 0.0026042 k( 250) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0026042 k( 251) = ( 0.5000000 0.4305556 0.5000000), wk = 0.0026042 k( 252) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0026042 k( 253) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0026042 k( 254) = ( 0.5000000 0.4722222 0.5000000), wk = 0.0026042 k( 255) = ( 0.5000000 0.4861111 0.5000000), wk = 0.0026042 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 258) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0026042 k( 259) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0026042 k( 260) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026042 k( 261) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0026042 k( 262) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0026042 k( 263) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026042 k( 264) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0026042 k( 265) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0026042 k( 266) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026042 k( 267) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0026042 k( 268) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0026042 k( 269) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026042 k( 270) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0026042 k( 271) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026042 k( 272) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026042 k( 273) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0026042 k( 274) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0026042 k( 275) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026042 k( 276) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0026042 k( 277) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0026042 k( 278) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026042 k( 279) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0026042 k( 280) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0026042 k( 281) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026042 k( 282) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0026042 k( 283) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0026042 k( 284) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026042 k( 285) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026042 k( 286) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0026042 k( 287) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026042 k( 288) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0026042 k( 289) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0026042 k( 290) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026042 k( 291) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0026042 k( 292) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0026042 k( 293) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026042 k( 294) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0026042 k( 295) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0026042 k( 296) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026042 k( 297) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0026042 k( 298) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0026042 k( 299) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 300) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 301) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0026042 k( 302) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0026042 k( 303) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0026042 k( 304) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0026042 k( 305) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0026042 k( 306) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0026042 k( 307) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0026042 k( 308) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0026042 k( 309) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0026042 k( 310) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0026042 k( 311) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0026042 k( 312) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026042 k( 313) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0026042 k( 314) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0026042 k( 315) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0026042 k( 316) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0026042 k( 317) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0026042 k( 318) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026042 k( 319) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0026042 k( 320) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0026042 k( 321) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0026042 k( 322) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0026042 k( 323) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0026042 k( 324) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026042 k( 325) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0026042 k( 326) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0026042 k( 327) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0026042 k( 328) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0026042 k( 329) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0026042 k( 330) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0026042 k( 331) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0026042 k( 332) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0026042 k( 333) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0026042 k( 334) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0026042 k( 335) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0026042 k( 336) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 337) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 338) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0026042 k( 339) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0026042 k( 340) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026042 k( 341) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0026042 k( 342) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026042 k( 343) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026042 k( 344) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0026042 k( 345) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0026042 k( 346) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026042 k( 347) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026042 k( 348) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0026042 k( 349) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026042 k( 350) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0026042 k( 351) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0026042 k( 352) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 353) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 354) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0026042 k( 355) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0026042 k( 356) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0026042 k( 357) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0026042 k( 358) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026042 k( 359) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0026042 k( 360) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0026042 k( 361) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0026042 k( 362) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0026042 k( 363) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026042 k( 364) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0026042 k( 365) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0026042 k( 366) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0026042 k( 367) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0026042 k( 368) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 Dense grid: 26363 G-vectors FFT dimensions: ( 25, 30, 72) Smooth grid: 18157 G-vectors FFT dimensions: ( 24, 25, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 128, 48) NL pseudopotentials 0.11 Mb ( 64, 112) Each V/rho on FFT grid 0.02 Mb ( 1500) Each G-vector array 0.01 Mb ( 729) G-vector shells 0.00 Mb ( 372) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 128, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 112, 2, 48) The potential is recalculated from file : ./GeSe.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 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.2 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.8 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.7 secs Computing kpt #: 27 total cpu time spent up to now is 13.1 secs Computing kpt #: 28 total cpu time spent up to now is 13.4 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.1 secs Computing kpt #: 31 total cpu time spent up to now is 14.4 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 14.9 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.4 secs Computing kpt #: 36 total cpu time spent up to now is 15.7 secs Computing kpt #: 37 total cpu time spent up to now is 16.0 secs Computing kpt #: 38 total cpu time spent up to now is 16.2 secs Computing kpt #: 39 total cpu time spent up to now is 16.5 secs Computing kpt #: 40 total cpu time spent up to now is 16.7 secs Computing kpt #: 41 total cpu time spent up to now is 17.0 secs Computing kpt #: 42 total cpu time spent up to now is 17.3 secs Computing kpt #: 43 total cpu time spent up to now is 17.5 secs Computing kpt #: 44 total cpu time spent up to now is 17.8 secs Computing kpt #: 45 total cpu time spent up to now is 18.1 secs Computing kpt #: 46 total cpu time spent up to now is 18.3 secs Computing kpt #: 47 total cpu time spent up to now is 18.6 secs Computing kpt #: 48 total cpu time spent up to now is 18.8 secs Computing kpt #: 49 total cpu time spent up to now is 19.1 secs Computing kpt #: 50 total cpu time spent up to now is 19.3 secs Computing kpt #: 51 total cpu time spent up to now is 19.6 secs Computing kpt #: 52 total cpu time spent up to now is 19.8 secs Computing kpt #: 53 total cpu time spent up to now is 20.0 secs Computing kpt #: 54 total cpu time spent up to now is 20.3 secs Computing kpt #: 55 total cpu time spent up to now is 20.5 secs Computing kpt #: 56 total cpu time spent up to now is 20.7 secs Computing kpt #: 57 total cpu time spent up to now is 20.9 secs Computing kpt #: 58 total cpu time spent up to now is 21.1 secs Computing kpt #: 59 total cpu time spent up to now is 21.4 secs Computing kpt #: 60 total cpu time spent up to now is 21.6 secs Computing kpt #: 61 total cpu time spent up to now is 21.8 secs Computing kpt #: 62 total cpu time spent up to now is 22.0 secs Computing kpt #: 63 total cpu time spent up to now is 22.3 secs Computing kpt #: 64 total cpu time spent up to now is 22.5 secs Computing kpt #: 65 total cpu time spent up to now is 22.7 secs Computing kpt #: 66 total cpu time spent up to now is 23.0 secs Computing kpt #: 67 total cpu time spent up to now is 23.2 secs Computing kpt #: 68 total cpu time spent up to now is 23.5 secs Computing kpt #: 69 total cpu time spent up to now is 23.8 secs Computing kpt #: 70 total cpu time spent up to now is 24.0 secs Computing kpt #: 71 total cpu time spent up to now is 24.3 secs Computing kpt #: 72 total cpu time spent up to now is 24.5 secs Computing kpt #: 73 total cpu time spent up to now is 24.8 secs Computing kpt #: 74 total cpu time spent up to now is 25.0 secs Computing kpt #: 75 total cpu time spent up to now is 25.2 secs Computing kpt #: 76 total cpu time spent up to now is 25.4 secs Computing kpt #: 77 total cpu time spent up to now is 25.7 secs Computing kpt #: 78 total cpu time spent up to now is 25.9 secs Computing kpt #: 79 total cpu time spent up to now is 26.1 secs Computing kpt #: 80 total cpu time spent up to now is 26.3 secs Computing kpt #: 81 total cpu time spent up to now is 26.5 secs Computing kpt #: 82 total cpu time spent up to now is 26.7 secs Computing kpt #: 83 total cpu time spent up to now is 26.9 secs Computing kpt #: 84 total cpu time spent up to now is 27.2 secs Computing kpt #: 85 total cpu time spent up to now is 27.4 secs Computing kpt #: 86 total cpu time spent up to now is 27.6 secs Computing kpt #: 87 total cpu time spent up to now is 27.8 secs Computing kpt #: 88 total cpu time spent up to now is 28.0 secs Computing kpt #: 89 total cpu time spent up to now is 28.2 secs Computing kpt #: 90 total cpu time spent up to now is 28.5 secs Computing kpt #: 91 total cpu time spent up to now is 28.7 secs Computing kpt #: 92 total cpu time spent up to now is 28.9 secs Computing kpt #: 93 total cpu time spent up to now is 29.1 secs Computing kpt #: 94 total cpu time spent up to now is 29.4 secs Computing kpt #: 95 total cpu time spent up to now is 29.6 secs Computing kpt #: 96 total cpu time spent up to now is 29.8 secs Computing kpt #: 97 total cpu time spent up to now is 30.1 secs Computing kpt #: 98 total cpu time spent up to now is 30.3 secs Computing kpt #: 99 total cpu time spent up to now is 30.5 secs Computing kpt #: 100 total cpu time spent up to now is 30.7 secs Computing kpt #: 101 total cpu time spent up to now is 30.9 secs Computing kpt #: 102 total cpu time spent up to now is 31.1 secs Computing kpt #: 103 total cpu time spent up to now is 31.3 secs Computing kpt #: 104 total cpu time spent up to now is 31.5 secs Computing kpt #: 105 total cpu time spent up to now is 31.8 secs Computing kpt #: 106 total cpu time spent up to now is 32.0 secs Computing kpt #: 107 total cpu time spent up to now is 32.2 secs Computing kpt #: 108 total cpu time spent up to now is 32.4 secs Computing kpt #: 109 total cpu time spent up to now is 32.6 secs Computing kpt #: 110 total cpu time spent up to now is 32.8 secs Computing kpt #: 111 total cpu time spent up to now is 33.1 secs Computing kpt #: 112 total cpu time spent up to now is 33.3 secs Computing kpt #: 113 total cpu time spent up to now is 33.5 secs Computing kpt #: 114 total cpu time spent up to now is 33.7 secs Computing kpt #: 115 total cpu time spent up to now is 33.9 secs Computing kpt #: 116 total cpu time spent up to now is 34.2 secs Computing kpt #: 117 total cpu time spent up to now is 34.4 secs Computing kpt #: 118 total cpu time spent up to now is 34.6 secs Computing kpt #: 119 total cpu time spent up to now is 34.9 secs Computing kpt #: 120 total cpu time spent up to now is 35.2 secs Computing kpt #: 121 total cpu time spent up to now is 35.5 secs Computing kpt #: 122 total cpu time spent up to now is 35.7 secs Computing kpt #: 123 total cpu time spent up to now is 36.1 secs Computing kpt #: 124 total cpu time spent up to now is 36.4 secs Computing kpt #: 125 total cpu time spent up to now is 36.7 secs Computing kpt #: 126 total cpu time spent up to now is 37.1 secs Computing kpt #: 127 total cpu time spent up to now is 37.4 secs Computing kpt #: 128 total cpu time spent up to now is 37.7 secs Computing kpt #: 129 total cpu time spent up to now is 38.0 secs Computing kpt #: 130 total cpu time spent up to now is 38.3 secs Computing kpt #: 131 total cpu time spent up to now is 38.7 secs Computing kpt #: 132 total cpu time spent up to now is 39.0 secs Computing kpt #: 133 total cpu time spent up to now is 39.2 secs Computing kpt #: 134 total cpu time spent up to now is 39.5 secs Computing kpt #: 135 total cpu time spent up to now is 39.7 secs Computing kpt #: 136 total cpu time spent up to now is 40.0 secs Computing kpt #: 137 total cpu time spent up to now is 40.2 secs Computing kpt #: 138 total cpu time spent up to now is 40.4 secs Computing kpt #: 139 total cpu time spent up to now is 40.7 secs Computing kpt #: 140 total cpu time spent up to now is 40.9 secs Computing kpt #: 141 total cpu time spent up to now is 41.1 secs Computing kpt #: 142 total cpu time spent up to now is 41.4 secs Computing kpt #: 143 total cpu time spent up to now is 41.6 secs Computing kpt #: 144 total cpu time spent up to now is 41.8 secs Computing kpt #: 145 total cpu time spent up to now is 42.1 secs Computing kpt #: 146 total cpu time spent up to now is 42.4 secs Computing kpt #: 147 total cpu time spent up to now is 42.7 secs Computing kpt #: 148 total cpu time spent up to now is 43.1 secs Computing kpt #: 149 total cpu time spent up to now is 43.4 secs Computing kpt #: 150 total cpu time spent up to now is 43.7 secs Computing kpt #: 151 total cpu time spent up to now is 44.0 secs Computing kpt #: 152 total cpu time spent up to now is 44.4 secs Computing kpt #: 153 total cpu time spent up to now is 44.7 secs Computing kpt #: 154 total cpu time spent up to now is 45.0 secs Computing kpt #: 155 total cpu time spent up to now is 45.4 secs Computing kpt #: 156 total cpu time spent up to now is 45.7 secs Computing kpt #: 157 total cpu time spent up to now is 46.0 secs Computing kpt #: 158 total cpu time spent up to now is 46.3 secs Computing kpt #: 159 total cpu time spent up to now is 46.6 secs Computing kpt #: 160 total cpu time spent up to now is 46.9 secs Computing kpt #: 161 total cpu time spent up to now is 47.2 secs Computing kpt #: 162 total cpu time spent up to now is 47.6 secs Computing kpt #: 163 total cpu time spent up to now is 47.9 secs Computing kpt #: 164 total cpu time spent up to now is 48.2 secs Computing kpt #: 165 total cpu time spent up to now is 48.5 secs Computing kpt #: 166 total cpu time spent up to now is 48.8 secs Computing kpt #: 167 total cpu time spent up to now is 49.2 secs Computing kpt #: 168 total cpu time spent up to now is 49.5 secs Computing kpt #: 169 total cpu time spent up to now is 49.8 secs Computing kpt #: 170 total cpu time spent up to now is 50.1 secs Computing kpt #: 171 total cpu time spent up to now is 50.4 secs Computing kpt #: 172 total cpu time spent up to now is 50.7 secs Computing kpt #: 173 total cpu time spent up to now is 51.0 secs Computing kpt #: 174 total cpu time spent up to now is 51.3 secs Computing kpt #: 175 total cpu time spent up to now is 51.5 secs Computing kpt #: 176 total cpu time spent up to now is 51.8 secs Computing kpt #: 177 total cpu time spent up to now is 52.1 secs Computing kpt #: 178 total cpu time spent up to now is 52.4 secs Computing kpt #: 179 total cpu time spent up to now is 52.7 secs Computing kpt #: 180 total cpu time spent up to now is 53.0 secs Computing kpt #: 181 total cpu time spent up to now is 53.3 secs Computing kpt #: 182 total cpu time spent up to now is 53.6 secs Computing kpt #: 183 total cpu time spent up to now is 53.9 secs Computing kpt #: 184 total cpu time spent up to now is 54.2 secs Computing kpt #: 185 total cpu time spent up to now is 54.6 secs Computing kpt #: 186 total cpu time spent up to now is 54.9 secs Computing kpt #: 187 total cpu time spent up to now is 55.2 secs Computing kpt #: 188 total cpu time spent up to now is 55.6 secs Computing kpt #: 189 total cpu time spent up to now is 55.9 secs Computing kpt #: 190 total cpu time spent up to now is 56.2 secs Computing kpt #: 191 total cpu time spent up to now is 56.5 secs Computing kpt #: 192 total cpu time spent up to now is 56.8 secs Computing kpt #: 193 total cpu time spent up to now is 57.0 secs Computing kpt #: 194 total cpu time spent up to now is 57.3 secs Computing kpt #: 195 total cpu time spent up to now is 57.5 secs Computing kpt #: 196 total cpu time spent up to now is 57.8 secs Computing kpt #: 197 total cpu time spent up to now is 58.0 secs Computing kpt #: 198 total cpu time spent up to now is 58.3 secs Computing kpt #: 199 total cpu time spent up to now is 58.5 secs Computing kpt #: 200 total cpu time spent up to now is 58.8 secs Computing kpt #: 201 total cpu time spent up to now is 59.0 secs Computing kpt #: 202 total cpu time spent up to now is 59.3 secs Computing kpt #: 203 total cpu time spent up to now is 59.5 secs Computing kpt #: 204 total cpu time spent up to now is 59.8 secs Computing kpt #: 205 total cpu time spent up to now is 60.1 secs Computing kpt #: 206 total cpu time spent up to now is 60.4 secs Computing kpt #: 207 total cpu time spent up to now is 60.6 secs Computing kpt #: 208 total cpu time spent up to now is 60.9 secs Computing kpt #: 209 total cpu time spent up to now is 61.2 secs Computing kpt #: 210 total cpu time spent up to now is 61.5 secs Computing kpt #: 211 total cpu time spent up to now is 61.8 secs Computing kpt #: 212 total cpu time spent up to now is 62.1 secs Computing kpt #: 213 total cpu time spent up to now is 62.4 secs Computing kpt #: 214 total cpu time spent up to now is 62.6 secs Computing kpt #: 215 total cpu time spent up to now is 62.9 secs Computing kpt #: 216 total cpu time spent up to now is 63.2 secs Computing kpt #: 217 total cpu time spent up to now is 63.5 secs Computing kpt #: 218 total cpu time spent up to now is 63.7 secs Computing kpt #: 219 total cpu time spent up to now is 64.0 secs Computing kpt #: 220 total cpu time spent up to now is 64.2 secs Computing kpt #: 221 total cpu time spent up to now is 64.5 secs Computing kpt #: 222 total cpu time spent up to now is 64.7 secs Computing kpt #: 223 total cpu time spent up to now is 65.0 secs Computing kpt #: 224 total cpu time spent up to now is 65.3 secs Computing kpt #: 225 total cpu time spent up to now is 65.5 secs Computing kpt #: 226 total cpu time spent up to now is 65.8 secs Computing kpt #: 227 total cpu time spent up to now is 66.0 secs Computing kpt #: 228 total cpu time spent up to now is 66.3 secs Computing kpt #: 229 total cpu time spent up to now is 66.5 secs Computing kpt #: 230 total cpu time spent up to now is 66.8 secs Computing kpt #: 231 total cpu time spent up to now is 67.0 secs Computing kpt #: 232 total cpu time spent up to now is 67.3 secs Computing kpt #: 233 total cpu time spent up to now is 67.5 secs Computing kpt #: 234 total cpu time spent up to now is 67.7 secs Computing kpt #: 235 total cpu time spent up to now is 68.0 secs Computing kpt #: 236 total cpu time spent up to now is 68.3 secs Computing kpt #: 237 total cpu time spent up to now is 68.5 secs Computing kpt #: 238 total cpu time spent up to now is 68.8 secs Computing kpt #: 239 total cpu time spent up to now is 69.0 secs Computing kpt #: 240 total cpu time spent up to now is 69.3 secs Computing kpt #: 241 total cpu time spent up to now is 69.5 secs Computing kpt #: 242 total cpu time spent up to now is 69.8 secs Computing kpt #: 243 total cpu time spent up to now is 70.0 secs Computing kpt #: 244 total cpu time spent up to now is 70.3 secs Computing kpt #: 245 total cpu time spent up to now is 70.5 secs Computing kpt #: 246 total cpu time spent up to now is 70.8 secs Computing kpt #: 247 total cpu time spent up to now is 71.0 secs Computing kpt #: 248 total cpu time spent up to now is 71.2 secs Computing kpt #: 249 total cpu time spent up to now is 71.4 secs Computing kpt #: 250 total cpu time spent up to now is 71.6 secs Computing kpt #: 251 total cpu time spent up to now is 71.8 secs Computing kpt #: 252 total cpu time spent up to now is 72.0 secs Computing kpt #: 253 total cpu time spent up to now is 72.2 secs Computing kpt #: 254 total cpu time spent up to now is 72.4 secs Computing kpt #: 255 total cpu time spent up to now is 72.6 secs Computing kpt #: 256 total cpu time spent up to now is 72.8 secs Computing kpt #: 257 total cpu time spent up to now is 73.0 secs Computing kpt #: 258 total cpu time spent up to now is 73.2 secs Computing kpt #: 259 total cpu time spent up to now is 73.4 secs Computing kpt #: 260 total cpu time spent up to now is 73.6 secs Computing kpt #: 261 total cpu time spent up to now is 73.8 secs Computing kpt #: 262 total cpu time spent up to now is 74.1 secs Computing kpt #: 263 total cpu time spent up to now is 74.3 secs Computing kpt #: 264 total cpu time spent up to now is 74.5 secs Computing kpt #: 265 total cpu time spent up to now is 74.7 secs Computing kpt #: 266 total cpu time spent up to now is 74.9 secs Computing kpt #: 267 total cpu time spent up to now is 75.1 secs Computing kpt #: 268 total cpu time spent up to now is 75.3 secs Computing kpt #: 269 total cpu time spent up to now is 75.5 secs Computing kpt #: 270 total cpu time spent up to now is 75.8 secs Computing kpt #: 271 total cpu time spent up to now is 76.0 secs Computing kpt #: 272 total cpu time spent up to now is 76.3 secs Computing kpt #: 273 total cpu time spent up to now is 76.5 secs Computing kpt #: 274 total cpu time spent up to now is 76.8 secs Computing kpt #: 275 total cpu time spent up to now is 77.0 secs Computing kpt #: 276 total cpu time spent up to now is 77.3 secs Computing kpt #: 277 total cpu time spent up to now is 77.6 secs Computing kpt #: 278 total cpu time spent up to now is 77.9 secs Computing kpt #: 279 total cpu time spent up to now is 78.1 secs Computing kpt #: 280 total cpu time spent up to now is 78.4 secs Computing kpt #: 281 total cpu time spent up to now is 78.7 secs Computing kpt #: 282 total cpu time spent up to now is 79.0 secs Computing kpt #: 283 total cpu time spent up to now is 79.2 secs Computing kpt #: 284 total cpu time spent up to now is 79.5 secs Computing kpt #: 285 total cpu time spent up to now is 79.7 secs Computing kpt #: 286 total cpu time spent up to now is 80.0 secs Computing kpt #: 287 total cpu time spent up to now is 80.2 secs Computing kpt #: 288 total cpu time spent up to now is 80.4 secs Computing kpt #: 289 total cpu time spent up to now is 80.6 secs Computing kpt #: 290 total cpu time spent up to now is 80.8 secs Computing kpt #: 291 total cpu time spent up to now is 81.1 secs Computing kpt #: 292 total cpu time spent up to now is 81.3 secs Computing kpt #: 293 total cpu time spent up to now is 81.5 secs Computing kpt #: 294 total cpu time spent up to now is 81.7 secs Computing kpt #: 295 total cpu time spent up to now is 81.9 secs Computing kpt #: 296 total cpu time spent up to now is 82.2 secs Computing kpt #: 297 total cpu time spent up to now is 82.4 secs Computing kpt #: 298 total cpu time spent up to now is 82.7 secs Computing kpt #: 299 total cpu time spent up to now is 83.0 secs Computing kpt #: 300 total cpu time spent up to now is 83.2 secs Computing kpt #: 301 total cpu time spent up to now is 83.5 secs Computing kpt #: 302 total cpu time spent up to now is 83.8 secs Computing kpt #: 303 total cpu time spent up to now is 84.1 secs Computing kpt #: 304 total cpu time spent up to now is 84.5 secs Computing kpt #: 305 total cpu time spent up to now is 84.8 secs Computing kpt #: 306 total cpu time spent up to now is 85.1 secs Computing kpt #: 307 total cpu time spent up to now is 85.4 secs Computing kpt #: 308 total cpu time spent up to now is 85.8 secs Computing kpt #: 309 total cpu time spent up to now is 86.0 secs Computing kpt #: 310 total cpu time spent up to now is 86.3 secs Computing kpt #: 311 total cpu time spent up to now is 86.7 secs Computing kpt #: 312 total cpu time spent up to now is 87.0 secs Computing kpt #: 313 total cpu time spent up to now is 87.3 secs Computing kpt #: 314 total cpu time spent up to now is 87.6 secs Computing kpt #: 315 total cpu time spent up to now is 88.0 secs Computing kpt #: 316 total cpu time spent up to now is 88.3 secs Computing kpt #: 317 total cpu time spent up to now is 88.6 secs Computing kpt #: 318 total cpu time spent up to now is 89.0 secs Computing kpt #: 319 total cpu time spent up to now is 89.3 secs Computing kpt #: 320 total cpu time spent up to now is 89.6 secs Computing kpt #: 321 total cpu time spent up to now is 89.9 secs Computing kpt #: 322 total cpu time spent up to now is 90.2 secs Computing kpt #: 323 total cpu time spent up to now is 90.5 secs Computing kpt #: 324 total cpu time spent up to now is 90.8 secs Computing kpt #: 325 total cpu time spent up to now is 91.1 secs Computing kpt #: 326 total cpu time spent up to now is 91.4 secs Computing kpt #: 327 total cpu time spent up to now is 91.7 secs Computing kpt #: 328 total cpu time spent up to now is 92.0 secs Computing kpt #: 329 total cpu time spent up to now is 92.2 secs Computing kpt #: 330 total cpu time spent up to now is 92.5 secs Computing kpt #: 331 total cpu time spent up to now is 92.8 secs Computing kpt #: 332 total cpu time spent up to now is 93.1 secs Computing kpt #: 333 total cpu time spent up to now is 93.4 secs Computing kpt #: 334 total cpu time spent up to now is 93.6 secs Computing kpt #: 335 total cpu time spent up to now is 93.9 secs Computing kpt #: 336 total cpu time spent up to now is 94.2 secs Computing kpt #: 337 total cpu time spent up to now is 94.5 secs Computing kpt #: 338 total cpu time spent up to now is 94.8 secs Computing kpt #: 339 total cpu time spent up to now is 95.2 secs Computing kpt #: 340 total cpu time spent up to now is 95.5 secs Computing kpt #: 341 total cpu time spent up to now is 95.8 secs Computing kpt #: 342 total cpu time spent up to now is 96.1 secs Computing kpt #: 343 total cpu time spent up to now is 96.5 secs Computing kpt #: 344 total cpu time spent up to now is 96.8 secs Computing kpt #: 345 total cpu time spent up to now is 97.1 secs Computing kpt #: 346 total cpu time spent up to now is 97.4 secs Computing kpt #: 347 total cpu time spent up to now is 97.7 secs Computing kpt #: 348 total cpu time spent up to now is 98.0 secs Computing kpt #: 349 total cpu time spent up to now is 98.3 secs Computing kpt #: 350 total cpu time spent up to now is 98.6 secs Computing kpt #: 351 total cpu time spent up to now is 98.9 secs Computing kpt #: 352 total cpu time spent up to now is 99.2 secs Computing kpt #: 353 total cpu time spent up to now is 99.4 secs Computing kpt #: 354 total cpu time spent up to now is 99.7 secs Computing kpt #: 355 total cpu time spent up to now is 99.9 secs Computing kpt #: 356 total cpu time spent up to now is 100.2 secs Computing kpt #: 357 total cpu time spent up to now is 100.5 secs Computing kpt #: 358 total cpu time spent up to now is 100.7 secs Computing kpt #: 359 total cpu time spent up to now is 101.0 secs Computing kpt #: 360 total cpu time spent up to now is 101.3 secs Computing kpt #: 361 total cpu time spent up to now is 101.5 secs Computing kpt #: 362 total cpu time spent up to now is 101.8 secs Computing kpt #: 363 total cpu time spent up to now is 102.1 secs Computing kpt #: 364 total cpu time spent up to now is 102.3 secs Computing kpt #: 365 total cpu time spent up to now is 102.6 secs Computing kpt #: 366 total cpu time spent up to now is 102.9 secs Computing kpt #: 367 total cpu time spent up to now is 103.1 secs Computing kpt #: 368 total cpu time spent up to now is 103.4 secs Computing kpt #: 369 total cpu time spent up to now is 103.6 secs Computing kpt #: 370 total cpu time spent up to now is 103.8 secs Computing kpt #: 371 total cpu time spent up to now is 104.0 secs Computing kpt #: 372 total cpu time spent up to now is 104.3 secs Computing kpt #: 373 total cpu time spent up to now is 104.5 secs Computing kpt #: 374 total cpu time spent up to now is 104.7 secs Computing kpt #: 375 total cpu time spent up to now is 104.9 secs Computing kpt #: 376 total cpu time spent up to now is 105.1 secs Computing kpt #: 377 total cpu time spent up to now is 105.3 secs Computing kpt #: 378 total cpu time spent up to now is 105.5 secs Computing kpt #: 379 total cpu time spent up to now is 105.7 secs Computing kpt #: 380 total cpu time spent up to now is 105.9 secs Computing kpt #: 381 total cpu time spent up to now is 106.2 secs Computing kpt #: 382 total cpu time spent up to now is 106.4 secs Computing kpt #: 383 total cpu time spent up to now is 106.6 secs Computing kpt #: 384 total cpu time spent up to now is 106.8 secs ethr = 2.50E-08, avg # of iterations = 18.2 total cpu time spent up to now is 106.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -8.3959 -8.3959 -8.0105 -8.0105 -6.9387 -6.9387 -6.3257 -6.3257 -1.9811 -1.9811 -1.2757 -1.2757 0.2711 0.2711 0.8395 0.8395 0.8634 0.8634 2.3108 2.3108 2.4878 2.4878 2.6951 2.6951 2.8475 2.8475 3.3009 3.3009 4.1200 4.1200 4.4442 4.4442 4.8773 4.8773 5.1730 5.1730 5.4460 5.4460 6.1850 6.1850 6.8850 6.8850 8.8894 8.8894 8.9810 8.9810 9.0162 9.0162 k = 0.0119-0.0000-0.0000 ( 2293 PWs) bands (ev): -8.3949 -8.3949 -8.0096 -8.0096 -6.9380 -6.9380 -6.3254 -6.3254 -1.9822 -1.9822 -1.2774 -1.2774 0.2707 0.2707 0.8394 0.8394 0.8587 0.8587 2.3118 2.3118 2.4874 2.4874 2.6956 2.6956 2.8478 2.8478 3.2981 3.2981 4.1204 4.1204 4.4444 4.4444 4.8744 4.8744 5.1745 5.1745 5.4467 5.4467 6.1842 6.1842 6.8863 6.8863 8.8934 8.8934 8.9870 8.9870 9.0194 9.0194 k = 0.0238-0.0000-0.0000 ( 2293 PWs) bands (ev): -8.3917 -8.3917 -8.0067 -8.0067 -6.9359 -6.9359 -6.3245 -6.3245 -1.9857 -1.9857 -1.2824 -1.2824 0.2694 0.2694 0.8392 0.8392 0.8447 0.8447 2.3150 2.3150 2.4862 2.4862 2.6970 2.6970 2.8485 2.8485 3.2899 3.2899 4.1217 4.1217 4.4450 4.4450 4.8659 4.8659 5.1791 5.1791 5.4487 5.4487 6.1819 6.1819 6.8902 6.8902 8.9048 8.9048 9.0045 9.0045 9.0288 9.0288 k = 0.0357-0.0000-0.0000 ( 2287 PWs) bands (ev): -8.3865 -8.3865 -8.0018 -8.0018 -6.9325 -6.9325 -6.3230 -6.3230 -1.9915 -1.9915 -1.2908 -1.2908 0.2672 0.2672 0.8214 0.8214 0.8390 0.8390 2.3201 2.3201 2.4842 2.4842 2.6995 2.6995 2.8500 2.8500 3.2765 3.2765 4.1239 4.1239 4.4460 4.4460 4.8514 4.8514 5.1872 5.1872 5.4519 5.4519 6.1778 6.1778 6.8966 6.8966 8.9238 8.9238 9.0318 9.0318 9.0448 9.0448 k = 0.0476-0.0000-0.0000 ( 2283 PWs) bands (ev): -8.3791 -8.3791 -7.9950 -7.9950 -6.9277 -6.9277 -6.3210 -6.3210 -1.9997 -1.9997 -1.3024 -1.3024 0.2637 0.2637 0.7891 0.7891 0.8389 0.8389 2.3270 2.3270 2.4815 2.4815 2.7030 2.7030 2.8525 2.8525 3.2584 3.2584 4.1269 4.1269 4.4476 4.4476 4.8309 4.8309 5.1991 5.1991 5.4563 5.4563 6.1716 6.1716 6.9054 6.9054 8.9488 8.9488 9.0540 9.0540 9.0786 9.0786 k = 0.0595-0.0000-0.0000 ( 2279 PWs) bands (ev): -8.3697 -8.3697 -7.9863 -7.9863 -6.9216 -6.9216 -6.3185 -6.3185 -2.0101 -2.0101 -1.3173 -1.3173 0.2587 0.2587 0.7483 0.7483 0.8392 0.8392 2.3355 2.3355 2.4782 2.4782 2.7078 2.7078 2.8562 2.8562 3.2363 3.2363 4.1310 4.1310 4.4499 4.4499 4.8046 4.8046 5.2148 5.2148 5.4615 5.4615 6.1628 6.1628 6.9166 6.9166 8.9776 8.9776 9.0690 9.0690 9.1282 9.1282 k = 0.0714-0.0000-0.0000 ( 2283 PWs) bands (ev): -8.3582 -8.3582 -7.9757 -7.9757 -6.9143 -6.9143 -6.3155 -6.3155 -2.0229 -2.0229 -1.3354 -1.3354 0.2517 0.2517 0.6991 0.6991 0.8403 0.8403 2.3452 2.3452 2.4747 2.4747 2.7140 2.7140 2.8616 2.8616 3.2107 3.2107 4.1359 4.1359 4.4529 4.4529 4.7732 4.7732 5.2342 5.2342 5.4677 5.4677 6.1509 6.1509 6.9300 6.9300 9.0014 9.0014 9.0804 9.0804 9.1855 9.1855 k = 0.0833-0.0000-0.0000 ( 2289 PWs) bands (ev): -8.3446 -8.3446 -7.9633 -7.9633 -6.9056 -6.9056 -6.3120 -6.3120 -2.0379 -2.0379 -1.3565 -1.3565 0.2423 0.2423 0.6422 0.6422 0.8426 0.8426 2.3554 2.3554 2.4719 2.4719 2.7218 2.7218 2.8688 2.8688 3.1824 3.1824 4.1419 4.1419 4.4567 4.4567 4.7377 4.7377 5.2568 5.2568 5.4744 5.4744 6.1354 6.1354 6.9454 6.9454 8.9935 8.9935 9.0985 9.0985 9.1920 9.1920 k = 0.0952-0.0000-0.0000 ( 2283 PWs) bands (ev): -8.3290 -8.3290 -7.9489 -7.9489 -6.8958 -6.8958 -6.3083 -6.3083 -2.0552 -2.0552 -1.3805 -1.3805 0.2301 0.2301 0.5781 0.5781 0.8464 0.8464 2.3649 2.3649 2.4713 2.4713 2.7313 2.7313 2.8778 2.8778 3.1525 3.1525 4.1489 4.1489 4.4613 4.4613 4.6992 4.6992 5.2820 5.2820 5.4819 5.4819 6.1161 6.1161 6.9629 6.9629 8.9376 8.9376 9.1240 9.1240 9.1831 9.1831 k = 0.1071-0.0000-0.0000 ( 2289 PWs) bands (ev): -8.3113 -8.3113 -7.9327 -7.9327 -6.8848 -6.8848 -6.3043 -6.3043 -2.0746 -2.0746 -1.4074 -1.4074 0.2145 0.2145 0.5074 0.5074 0.8522 0.8522 2.3720 2.3720 2.4746 2.4746 2.7425 2.7425 2.8887 2.8887 3.1218 3.1218 4.1569 4.1569 4.4665 4.4665 4.6589 4.6589 5.3091 5.3091 5.4899 5.4899 6.0924 6.0924 6.9822 6.9822 8.8493 8.8493 9.1237 9.1237 9.2047 9.2047 k = 0.1190-0.0000-0.0000 ( 2289 PWs) bands (ev): -8.2916 -8.2916 -7.9146 -7.9146 -6.8728 -6.8728 -6.3001 -6.3001 -2.0963 -2.0963 -1.4369 -1.4369 0.1950 0.1950 0.4305 0.4305 0.8604 0.8604 2.3754 2.3754 2.4837 2.4837 2.7554 2.7554 2.9013 2.9013 3.0914 3.0914 4.1658 4.1658 4.4721 4.4721 4.6182 4.6182 5.3373 5.3373 5.4986 5.4986 6.0642 6.0642 7.0032 7.0032 8.7432 8.7432 9.0975 9.0975 9.2431 9.2431 k = 0.1310-0.0000-0.0000 ( 2289 PWs) bands (ev): -8.2699 -8.2699 -7.8948 -7.8948 -6.8597 -6.8597 -6.2958 -6.2958 -2.1199 -2.1199 -1.4687 -1.4687 0.1713 0.1713 0.3482 0.3482 0.8714 0.8714 2.3751 2.3751 2.4991 2.4991 2.7698 2.7698 2.9152 2.9152 3.0625 3.0625 4.1756 4.1756 4.4770 4.4770 4.5794 4.5794 5.3655 5.3655 5.5082 5.5082 6.0314 6.0314 7.0260 7.0260 8.6265 8.6265 9.0553 9.0553 9.2795 9.2795 k = 0.1429-0.0000-0.0000 ( 2289 PWs) bands (ev): -8.2462 -8.2462 -7.8731 -7.8731 -6.8457 -6.8457 -6.2916 -6.2916 -2.1455 -2.1455 -1.5028 -1.5028 0.1431 0.1431 0.2610 0.2610 0.8852 0.8852 2.3724 2.3724 2.5198 2.5198 2.7856 2.7856 2.9293 2.9293 3.0369 3.0369 4.1859 4.1859 4.4782 4.4782 4.5462 4.5462 5.3925 5.3925 5.5194 5.5194 5.9941 5.9941 7.0504 7.0504 8.5036 8.5036 9.0000 9.0000 9.3061 9.3061 k = 0.1548-0.0000-0.0000 ( 2283 PWs) bands (ev): -8.2206 -8.2206 -7.8498 -7.8498 -6.8309 -6.8309 -6.2876 -6.2876 -2.1730 -2.1730 -1.5387 -1.5387 0.1101 0.1101 0.1697 0.1697 0.9023 0.9023 2.3688 2.3688 2.5448 2.5448 2.8020 2.8020 2.9411 2.9411 3.0183 3.0183 4.1962 4.1962 4.4675 4.4675 4.5280 4.5280 5.4169 5.4169 5.5328 5.5328 5.9524 5.9524 7.0763 7.0763 8.3773 8.3773 8.9334 8.9334 9.3164 9.3164 k = 0.1667-0.0000-0.0000 ( 2299 PWs) bands (ev): -8.1930 -8.1930 -7.8247 -7.8247 -6.8154 -6.8154 -6.2839 -6.2839 -2.2022 -2.2022 -1.5761 -1.5761 0.0676 0.0676 0.0792 0.0792 0.9226 0.9226 2.3654 2.3654 2.5733 2.5733 2.8181 2.8181 2.9457 2.9457 3.0127 3.0127 4.2060 4.2060 4.4437 4.4437 4.5269 4.5269 5.4371 5.4371 5.5491 5.5491 5.9067 5.9067 7.1036 7.1036 8.2491 8.2491 8.8578 8.8578 9.3034 9.3034 k = 0.1786-0.0000-0.0000 ( 2295 PWs) bands (ev): -8.1636 -8.1636 -7.7980 -7.7980 -6.7993 -6.7993 -6.2807 -6.2807 -2.2329 -2.2329 -1.6148 -1.6148 -0.0254 -0.0254 0.0315 0.0315 0.9461 0.9461 2.3632 2.3632 2.6046 2.6046 2.8320 2.8320 2.9434 2.9434 3.0224 3.0224 4.2142 4.2142 4.4182 4.4182 4.5331 4.5331 5.4523 5.4523 5.5685 5.5685 5.8577 5.8577 7.1324 7.1324 8.1213 8.1213 8.7755 8.7755 9.2648 9.2648 k = 0.1905-0.0000-0.0000 ( 2287 PWs) bands (ev): -8.1323 -8.1323 -7.7697 -7.7697 -6.7826 -6.7826 -6.2780 -6.2780 -2.2649 -2.2649 -1.6543 -1.6543 -0.1263 -0.1263 -0.0155 -0.0155 0.9729 0.9729 2.3626 2.3626 2.6381 2.6381 2.8410 2.8410 2.9434 2.9434 3.0410 3.0410 4.2192 4.2192 4.3975 4.3975 4.5418 4.5418 5.4626 5.4626 5.5893 5.5893 5.8065 5.8065 7.1624 7.1624 7.9948 7.9948 8.6886 8.6886 9.2051 9.2051 k = 0.2024-0.0000-0.0000 ( 2287 PWs) bands (ev): -8.0992 -8.0992 -7.7398 -7.7398 -6.7657 -6.7657 -6.2762 -6.2762 -2.2980 -2.2980 -1.6942 -1.6942 -0.2296 -0.2296 -0.0668 -0.0668 1.0028 1.0028 2.3642 2.3642 2.6735 2.6735 2.8440 2.8440 2.9521 2.9521 3.0638 3.0638 4.2192 4.2192 4.3848 4.3848 4.5514 4.5514 5.4686 5.4686 5.6079 5.6079 5.7552 5.7552 7.1934 7.1934 7.8711 7.8711 8.5988 8.5988 9.1310 9.1310 k = 0.2143-0.0000-0.0000 ( 2287 PWs) bands (ev): -8.0642 -8.0642 -7.7084 -7.7084 -6.7485 -6.7485 -6.2753 -6.2753 -2.3320 -2.3320 -1.7342 -1.7342 -0.3347 -0.3347 -0.1220 -0.1220 1.0357 1.0357 2.3682 2.3682 2.7095 2.7095 2.8437 2.8437 2.9691 2.9691 3.0889 3.0889 4.2137 4.2137 4.3811 4.3811 4.5612 4.5612 5.4713 5.4713 5.6145 5.6145 5.7133 5.7133 7.2253 7.2253 7.7516 7.7516 8.5078 8.5078 9.0476 9.0476 k = 0.2262-0.0000-0.0000 ( 2283 PWs) bands (ev): -8.0276 -8.0276 -7.6755 -7.6755 -6.7314 -6.7314 -6.2756 -6.2756 -2.3665 -2.3665 -1.7738 -1.7738 -0.4410 -0.4410 -0.1811 -0.1811 1.0715 1.0715 2.3746 2.3746 2.7440 2.7440 2.8459 2.8459 2.9915 2.9915 3.1155 3.1155 4.2035 4.2035 4.3857 4.3857 4.5709 4.5709 5.4710 5.4710 5.5894 5.5894 5.6990 5.6990 7.2574 7.2574 7.6380 7.6380 8.4170 8.4170 8.9583 8.9583 k = 0.2381-0.0000-0.0000 ( 2281 PWs) bands (ev): -7.9892 -7.9892 -7.6413 -7.6413 -6.7143 -6.7143 -6.2772 -6.2772 -2.4011 -2.4011 -1.8126 -1.8126 -0.5482 -0.5482 -0.2437 -0.2437 1.1101 1.1101 2.3836 2.3836 2.7723 2.7723 2.8575 2.8575 3.0171 3.0171 3.1432 3.1432 4.1909 4.1909 4.3961 4.3961 4.5803 4.5803 5.4676 5.4676 5.5391 5.5391 5.7057 5.7057 7.2880 7.2880 7.5334 7.5334 8.3274 8.3274 8.8651 8.8651 k = 0.2500-0.0000-0.0000 ( 2277 PWs) bands (ev): -7.9493 -7.9493 -7.6058 -7.6058 -6.6976 -6.6976 -6.2803 -6.2803 -2.4357 -2.4357 -1.8500 -1.8500 -0.6559 -0.6559 -0.3094 -0.3094 1.1513 1.1513 2.3951 2.3951 2.7902 2.7902 2.8839 2.8839 3.0447 3.0447 3.1717 3.1717 4.1775 4.1775 4.4104 4.4104 4.5891 4.5891 5.4573 5.4573 5.4848 5.4848 5.7150 5.7150 7.3101 7.3101 7.4465 7.4465 8.2400 8.2400 8.7702 8.7702 k = 0.2619-0.0000-0.0000 ( 2273 PWs) bands (ev): -7.9077 -7.9077 -7.5690 -7.5690 -6.6815 -6.6815 -6.2851 -6.2851 -2.4698 -2.4698 -1.8857 -1.8857 -0.7637 -0.7637 -0.3778 -0.3778 1.1950 1.1950 2.4091 2.4091 2.8011 2.8011 2.9221 2.9221 3.0736 3.0736 3.2008 3.2008 4.1644 4.1644 4.4270 4.4270 4.5972 4.5972 5.4113 5.4113 5.4613 5.4613 5.7204 5.7204 7.2920 7.2920 7.4098 7.4098 8.1556 8.1556 8.6749 8.6749 k = 0.2738-0.0000-0.0000 ( 2277 PWs) bands (ev): -7.8646 -7.8646 -7.5311 -7.5311 -6.6661 -6.6661 -6.2919 -6.2919 -2.5031 -2.5031 -1.9194 -1.9194 -0.8712 -0.8712 -0.4487 -0.4487 1.2411 1.2411 2.4253 2.4253 2.8105 2.8105 2.9667 2.9667 3.1032 3.1032 3.2302 3.2302 4.1521 4.1521 4.4448 4.4448 4.6045 4.6045 5.3499 5.3499 5.4503 5.4503 5.7187 5.7187 7.2313 7.2313 7.4276 7.4276 8.0748 8.0748 8.5805 8.5805 k = 0.2857-0.0000-0.0000 ( 2275 PWs) bands (ev): -7.8200 -7.8200 -7.4922 -7.4922 -6.6516 -6.6516 -6.3006 -6.3006 -2.5352 -2.5352 -1.9503 -1.9503 -0.9781 -0.9781 -0.5217 -0.5217 1.2895 1.2895 2.4436 2.4436 2.8213 2.8213 3.0145 3.0145 3.1334 3.1334 3.2597 3.2597 4.1406 4.1406 4.4631 4.4631 4.6110 4.6110 5.2879 5.2879 5.4383 5.4383 5.7082 5.7082 7.1696 7.1696 7.4594 7.4594 7.9981 7.9981 8.4883 8.4883 k = 0.2976-0.0000-0.0000 ( 2271 PWs) bands (ev): -7.7741 -7.7741 -7.4523 -7.4523 -6.6384 -6.6384 -6.3116 -6.3116 -2.5655 -2.5655 -1.9782 -1.9782 -1.0841 -1.0841 -0.5962 -0.5962 1.3400 1.3400 2.4638 2.4638 2.8348 2.8348 3.0636 3.0636 3.1645 3.1645 3.2893 3.2893 4.1298 4.1298 4.4814 4.4814 4.6168 4.6168 5.2270 5.2270 5.4242 5.4242 5.6877 5.6877 7.1187 7.1187 7.4944 7.4944 7.9260 7.9260 8.3990 8.3990 k = 0.3095-0.0000-0.0000 ( 2275 PWs) bands (ev): -7.7269 -7.7269 -7.4115 -7.4115 -6.6266 -6.6266 -6.3250 -6.3250 -2.5938 -2.5938 -2.0028 -2.0028 -1.1888 -1.1888 -0.6721 -0.6721 1.3925 1.3925 2.4852 2.4852 2.8511 2.8511 3.1121 3.1121 3.1974 3.1974 3.3185 3.3185 4.1191 4.1191 4.4990 4.4990 4.6220 4.6220 5.1684 5.1684 5.4078 5.4078 5.6569 5.6569 7.0812 7.0812 7.5299 7.5299 7.8586 7.8586 8.3134 8.3134 k = 0.3214-0.0000-0.0000 ( 2275 PWs) bands (ev): -7.6784 -7.6784 -7.3700 -7.3700 -6.6164 -6.6164 -6.3409 -6.3409 -2.6196 -2.6196 -2.0237 -2.0237 -1.2921 -1.2921 -0.7488 -0.7488 1.4470 1.4470 2.5074 2.5074 2.8703 2.8703 3.1568 3.1568 3.2346 3.2346 3.3472 3.3472 4.1079 4.1079 4.5154 4.5154 4.6271 4.6271 5.1126 5.1126 5.3889 5.3889 5.6162 5.6162 7.0574 7.0574 7.5646 7.5646 7.7963 7.7963 8.2329 8.2329 k = 0.3333-0.0000-0.0000 ( 2273 PWs) bands (ev): -7.6288 -7.6288 -7.3280 -7.3280 -6.6081 -6.6081 -6.3594 -6.3594 -2.6425 -2.6425 -2.0406 -2.0406 -1.3936 -1.3936 -0.8262 -0.8262 1.5032 1.5032 2.5298 2.5298 2.8925 2.8925 3.1944 3.1944 3.2787 3.2787 3.3754 3.3754 4.0958 4.0958 4.5302 4.5302 4.6324 4.6324 5.0605 5.0605 5.3673 5.3673 5.5670 5.5670 7.0468 7.0468 7.5977 7.5977 7.7390 7.7390 8.1579 8.1579 k = 0.3452-0.0000-0.0000 ( 2273 PWs) bands (ev): -7.5782 -7.5782 -7.2855 -7.2855 -6.6019 -6.6019 -6.3805 -6.3805 -2.6621 -2.6621 -2.0531 -2.0531 -1.4931 -1.4931 -0.9037 -0.9037 1.5610 1.5610 2.5515 2.5515 2.9174 2.9174 3.2246 3.2246 3.3299 3.3299 3.4030 3.4030 4.0819 4.0819 4.5428 4.5428 4.6383 4.6383 5.0125 5.0125 5.3426 5.3426 5.5115 5.5115 7.0478 7.0478 7.6273 7.6273 7.6874 7.6874 8.0889 8.0889 k = 0.3571-0.0000-0.0000 ( 2273 PWs) bands (ev): -7.5267 -7.5267 -7.2426 -7.2426 -6.5979 -6.5979 -6.4044 -6.4044 -2.6780 -2.6780 -2.0612 -2.0612 -1.5902 -1.5902 -0.9811 -0.9811 1.6202 1.6202 2.5717 2.5717 2.9450 2.9450 3.2497 3.2497 3.3847 3.3847 3.4308 3.4308 4.0657 4.0657 4.5525 4.5525 4.6452 4.6452 4.9691 4.9691 5.3140 5.3140 5.4527 5.4527 7.0588 7.0588 7.6319 7.6319 7.6617 7.6617 8.0245 8.0245 k = 0.3690-0.0000-0.0000 ( 2267 PWs) bands (ev): -7.4743 -7.4743 -7.1996 -7.1996 -6.5965 -6.5965 -6.4311 -6.4311 -2.6898 -2.6898 -2.0646 -2.0646 -1.6848 -1.6848 -1.0579 -1.0579 1.6808 1.6808 2.5892 2.5892 2.9749 2.9749 3.2716 3.2716 3.4342 3.4342 3.4655 3.4655 4.0467 4.0467 4.5589 4.5589 4.6532 4.6532 4.9307 4.9307 5.2801 5.2801 5.3946 5.3946 7.0778 7.0778 7.5916 7.5916 7.6803 7.6803 7.9517 7.9517 k = 0.3810-0.0000-0.0000 ( 2259 PWs) bands (ev): -7.4212 -7.4212 -7.1566 -7.1566 -6.5978 -6.5978 -6.4604 -6.4604 -2.6972 -2.6972 -2.0631 -2.0631 -1.7766 -1.7766 -1.1340 -1.1340 1.7425 1.7425 2.6026 2.6026 3.0069 3.0069 3.2922 3.2922 3.4643 3.4643 3.5195 3.5195 4.0244 4.0244 4.5614 4.5614 4.6623 4.6623 4.8975 4.8975 5.2393 5.2393 5.3415 5.3415 7.1030 7.1030 7.5522 7.5522 7.6955 7.6955 7.8716 7.8716 k = 0.3929-0.0000-0.0000 ( 2259 PWs) bands (ev): -7.3675 -7.3675 -7.1138 -7.1138 -6.6018 -6.6018 -6.4925 -6.4925 -2.7000 -2.7000 -2.0568 -2.0568 -1.8652 -1.8652 -1.2089 -1.2089 1.8051 1.8051 2.6106 2.6106 3.0407 3.0407 3.3123 3.3123 3.4848 3.4848 3.5820 3.5820 3.9988 3.9988 4.5592 4.5592 4.6721 4.6721 4.8693 4.8693 5.1916 5.1916 5.2959 5.2959 7.1327 7.1327 7.5163 7.5163 7.7024 7.7024 7.7957 7.7957 k = 0.4048-0.0000-0.0000 ( 2255 PWs) bands (ev): -7.3134 -7.3134 -7.0713 -7.0713 -6.6088 -6.6088 -6.5273 -6.5273 -2.6977 -2.6977 -2.0456 -2.0456 -1.9505 -1.9505 -1.2824 -1.2824 1.8683 1.8683 2.6121 2.6121 3.0762 3.0762 3.3331 3.3331 3.5010 3.5010 3.6472 3.6472 3.9698 3.9698 4.5514 4.5514 4.6824 4.6824 4.8460 4.8460 5.1414 5.1414 5.2567 5.2567 7.1655 7.1655 7.4840 7.4840 7.6944 7.6944 7.7315 7.7315 k = 0.4167-0.0000-0.0000 ( 2247 PWs) bands (ev): -7.2590 -7.2590 -7.0294 -7.0294 -6.6187 -6.6187 -6.5645 -6.5645 -2.6903 -2.6903 -2.0344 -2.0344 -2.0273 -2.0273 -1.3541 -1.3541 1.9321 1.9321 2.6061 2.6061 3.1131 3.1131 3.3546 3.3546 3.5138 3.5138 3.7138 3.7138 3.9378 3.9378 4.5361 4.5361 4.6931 4.6931 4.8272 4.8272 5.0942 5.0942 5.2212 5.2212 7.2002 7.2002 7.4557 7.4557 7.6477 7.6477 7.7029 7.7029 k = 0.4286-0.0000-0.0000 ( 2251 PWs) bands (ev): -7.2045 -7.2045 -6.9883 -6.9883 -6.6317 -6.6317 -6.6042 -6.6042 -2.6776 -2.6776 -2.1105 -2.1105 -2.0080 -2.0080 -1.4238 -1.4238 1.9959 1.9959 2.5920 2.5920 3.1509 3.1509 3.3763 3.3763 3.5241 3.5241 3.7811 3.7811 3.9032 3.9032 4.5120 4.5120 4.7038 4.7038 4.8120 4.8120 5.0545 5.0545 5.1879 5.1879 7.2357 7.2357 7.4315 7.4315 7.5903 7.5903 7.6828 7.6828 k = 0.4405-0.0000-0.0000 ( 2245 PWs) bands (ev): -7.1499 -7.1499 -6.9481 -6.9481 -6.6481 -6.6481 -6.6456 -6.6456 -2.6595 -2.6595 -2.1844 -2.1844 -1.9821 -1.9821 -1.4912 -1.4912 2.0596 2.0596 2.5699 2.5699 3.1895 3.1895 3.3961 3.3961 3.5337 3.5337 3.8434 3.8434 3.8720 3.8720 4.4780 4.4780 4.7145 4.7145 4.8000 4.8000 5.0253 5.0253 5.1561 5.1561 7.2711 7.2711 7.4124 7.4124 7.5377 7.5377 7.6570 7.6570 k = 0.4524-0.0000-0.0000 ( 2245 PWs) bands (ev): -7.0956 -7.0956 -6.9092 -6.9092 -6.6903 -6.6903 -6.6665 -6.6665 -2.6359 -2.6359 -2.2542 -2.2542 -1.9514 -1.9514 -1.5560 -1.5560 2.1227 2.1227 2.5402 2.5402 3.2282 3.2282 3.4104 3.4104 3.5462 3.5462 3.8233 3.8233 3.9219 3.9219 4.4345 4.4345 4.7249 4.7249 4.7903 4.7903 5.0072 5.0072 5.1256 5.1256 7.3049 7.3049 7.3997 7.3997 7.4918 7.4918 7.6258 7.6258 k = 0.4643-0.0000-0.0000 ( 2243 PWs) bands (ev): -7.0416 -7.0416 -6.8716 -6.8716 -6.7362 -6.7362 -6.6883 -6.6883 -2.6067 -2.6067 -2.3194 -2.3194 -1.9161 -1.9161 -1.6180 -1.6180 2.1849 2.1849 2.5034 2.5034 3.2662 3.2662 3.4147 3.4147 3.5653 3.5653 3.7836 3.7836 3.9904 3.9904 4.3827 4.3827 4.7347 4.7347 4.7821 4.7821 4.9999 4.9999 5.0969 5.0969 7.3343 7.3343 7.3969 7.3969 7.4532 7.4532 7.5906 7.5906 k = 0.4762-0.0000-0.0000 ( 2241 PWs) bands (ev): -6.9882 -6.9882 -6.8357 -6.8357 -6.7839 -6.7839 -6.7129 -6.7129 -2.5719 -2.5719 -2.3800 -2.3800 -1.8763 -1.8763 -1.6768 -1.6768 2.2455 2.2455 2.4605 2.4605 3.3027 3.3027 3.4077 3.4077 3.5923 3.5923 3.7428 3.7428 4.0595 4.0595 4.3244 4.3244 4.7440 4.7440 4.7748 4.7748 5.0017 5.0017 5.0703 5.0703 7.3533 7.3533 7.4075 7.4075 7.4251 7.4251 7.5530 7.5530 k = 0.4881-0.0000-0.0000 ( 2237 PWs) bands (ev): -6.9355 -6.9355 -6.8332 -6.8332 -6.8017 -6.8017 -6.7401 -6.7401 -2.5318 -2.5318 -2.4357 -2.4357 -1.8323 -1.8323 -1.7323 -1.7323 2.3041 2.3041 2.4124 2.4124 3.3366 3.3366 3.3908 3.3908 3.6255 3.6255 3.7022 3.7022 4.1282 4.1282 4.2617 4.2617 4.7525 4.7525 4.7677 4.7677 5.0112 5.0112 5.0466 5.0466 7.3646 7.3646 7.3943 7.3943 7.4426 7.4426 7.5148 7.5148 k = 0.5000-0.0000-0.0000 ( 2236 PWs) bands (ev): -6.8838 -6.8838 -6.8838 -6.8838 -6.7697 -6.7697 -6.7697 -6.7697 -2.4864 -2.4864 -2.4864 -2.4864 -1.7842 -1.7842 -1.7842 -1.7842 2.3599 2.3599 2.3599 2.3599 3.3665 3.3665 3.3665 3.3665 3.6627 3.6627 3.6627 3.6627 4.1959 4.1959 4.1959 4.1959 4.7603 4.7603 4.7603 4.7603 5.0266 5.0266 5.0266 5.0266 7.3770 7.3770 7.3770 7.3770 7.4773 7.4773 7.4773 7.4773 k = 0.5000-0.0000-0.0000 ( 2236 PWs) bands (ev): -6.8838 -6.8838 -6.8838 -6.8838 -6.7697 -6.7697 -6.7697 -6.7697 -2.4864 -2.4864 -2.4864 -2.4864 -1.7842 -1.7842 -1.7842 -1.7842 2.3599 2.3599 2.3599 2.3599 3.3665 3.3665 3.3665 3.3665 3.6627 3.6627 3.6627 3.6627 4.1959 4.1959 4.1959 4.1959 4.7603 4.7603 4.7603 4.7603 5.0266 5.0266 5.0266 5.0266 7.3770 7.3770 7.3770 7.3770 7.4773 7.4773 7.4773 7.4773 k = 0.5000 0.0121-0.0000 ( 2236 PWs) bands (ev): -6.8834 -6.8834 -6.8834 -6.8834 -6.7694 -6.7694 -6.7694 -6.7694 -2.4855 -2.4855 -2.4854 -2.4854 -1.7840 -1.7840 -1.7838 -1.7838 2.3551 2.3551 2.3622 2.3622 3.3438 3.3438 3.3699 3.3699 3.6323 3.6323 3.6664 3.6664 4.1964 4.1964 4.2164 4.2164 4.7433 4.7433 4.7559 4.7559 5.0337 5.0337 5.0382 5.0382 7.3632 7.3632 7.3688 7.3688 7.4823 7.4823 7.4908 7.4908 k = 0.5000 0.0242-0.0000 ( 2232 PWs) bands (ev): -6.8821 -6.8821 -6.8821 -6.8821 -6.7684 -6.7684 -6.7684 -6.7684 -2.4827 -2.4827 -2.4825 -2.4825 -1.7830 -1.7830 -1.7825 -1.7825 2.3478 2.3478 2.3620 2.3620 3.3026 3.3026 3.3530 3.3530 3.5817 3.5817 3.6477 3.6477 4.2114 4.2114 4.2518 4.2518 4.7114 4.7114 4.7344 4.7344 5.0545 5.0545 5.0656 5.0656 7.3374 7.3374 7.3441 7.3441 7.4990 7.4990 7.5122 7.5122 k = 0.5000 0.0363-0.0000 ( 2240 PWs) bands (ev): -6.8799 -6.8799 -6.8799 -6.8799 -6.7668 -6.7668 -6.7667 -6.7667 -2.4781 -2.4781 -2.4778 -2.4778 -1.7813 -1.7813 -1.7806 -1.7806 2.3376 2.3376 2.3590 2.3590 3.2443 3.2443 3.3134 3.3134 3.5234 3.5234 3.6155 3.6155 4.2280 4.2280 4.2867 4.2867 4.6764 4.6764 4.7056 4.7056 5.0818 5.0818 5.1023 5.1023 7.3066 7.3066 7.3108 7.3108 7.5201 7.5201 7.5346 7.5346 k = 0.5000 0.0485-0.0000 ( 2248 PWs) bands (ev): -6.8770 -6.8770 -6.8770 -6.8770 -6.7644 -6.7644 -6.7643 -6.7643 -2.4717 -2.4717 -2.4713 -2.4713 -1.7789 -1.7789 -1.7780 -1.7780 2.3243 2.3243 2.3528 2.3528 3.1719 3.1719 3.2510 3.2510 3.4672 3.4672 3.5769 3.5769 4.2334 4.2334 4.3031 4.3031 4.6517 4.6517 4.6779 4.6779 5.1115 5.1115 5.1439 5.1439 7.2711 7.2711 7.2723 7.2723 7.5484 7.5484 7.5607 7.5607 k = 0.5000 0.0606-0.0000 ( 2244 PWs) bands (ev): -6.8732 -6.8732 -6.8732 -6.8732 -6.7615 -6.7615 -6.7614 -6.7614 -2.4634 -2.4634 -2.4629 -2.4629 -1.7759 -1.7759 -1.7747 -1.7747 2.3076 2.3076 2.3429 2.3429 3.0892 3.0892 3.1704 3.1704 3.4157 3.4157 3.5352 3.5352 4.2197 4.2197 4.2879 4.2879 4.6457 4.6457 4.6559 4.6559 5.1421 5.1421 5.1884 5.1884 7.2276 7.2276 7.2360 7.2360 7.5894 7.5894 7.5972 7.5972 k = 0.5000 0.0727-0.0000 ( 2234 PWs) bands (ev): -6.8686 -6.8686 -6.8686 -6.8686 -6.7579 -6.7579 -6.7578 -6.7578 -2.4534 -2.4534 -2.4527 -2.4527 -1.7722 -1.7722 -1.7708 -1.7708 2.2868 2.2868 2.3288 2.3288 2.9998 2.9998 3.0789 3.0789 3.3665 3.3665 3.4919 3.4919 4.1855 4.1855 4.2428 4.2428 4.6386 4.6386 4.6535 4.6535 5.1728 5.1728 5.2341 5.2341 7.1848 7.1848 7.2014 7.2014 7.6464 7.6464 7.6486 7.6486 k = 0.5000 0.0848-0.0000 ( 2234 PWs) bands (ev): -6.8633 -6.8633 -6.8633 -6.8633 -6.7537 -6.7537 -6.7536 -6.7536 -2.4416 -2.4416 -2.4408 -2.4408 -1.7679 -1.7679 -1.7662 -1.7662 2.2612 2.2612 2.3095 2.3095 2.9068 2.9068 2.9825 2.9825 3.3177 3.3177 3.4476 3.4476 4.1341 4.1341 4.1779 4.1779 4.6220 4.6220 4.6626 4.6626 5.2032 5.2032 5.2791 5.2791 7.1479 7.1479 7.1729 7.1729 7.7162 7.7162 7.7193 7.7193 k = 0.5000 0.0969-0.0000 ( 2238 PWs) bands (ev): -6.8572 -6.8572 -6.8572 -6.8572 -6.7490 -6.7490 -6.7488 -6.7488 -2.4280 -2.4280 -2.4271 -2.4271 -1.7631 -1.7631 -1.7612 -1.7612 2.2303 2.2303 2.2839 2.2839 2.8129 2.8129 2.8854 2.8854 3.2687 3.2687 3.4026 3.4026 4.0709 4.0709 4.1023 4.1023 4.6018 4.6018 4.6644 4.6644 5.2317 5.2317 5.3207 5.3207 7.1219 7.1219 7.1554 7.1554 7.7993 7.7993 7.8074 7.8074 k = 0.5000 0.1090-0.0000 ( 2236 PWs) bands (ev): -6.8504 -6.8504 -6.8504 -6.8504 -6.7437 -6.7437 -6.7435 -6.7435 -2.4128 -2.4128 -2.4118 -2.4118 -1.7578 -1.7578 -1.7556 -1.7556 2.1932 2.1932 2.2512 2.2512 2.7200 2.7200 2.7902 2.7902 3.2196 3.2196 3.3574 3.3574 4.0004 4.0004 4.0214 4.0214 4.5755 4.5755 4.6550 4.6550 5.2562 5.2562 5.3562 5.3562 7.1104 7.1104 7.1522 7.1522 7.8968 7.8968 7.9093 7.9093 k = 0.5000 0.1211-0.0000 ( 2236 PWs) bands (ev): -6.8429 -6.8429 -6.8429 -6.8429 -6.7380 -6.7380 -6.7378 -6.7378 -2.3960 -2.3960 -2.3949 -2.3949 -1.7521 -1.7521 -1.7497 -1.7497 2.1494 2.1494 2.2101 2.2101 2.6299 2.6299 2.6989 2.6989 3.1707 3.1707 3.3117 3.3117 3.9262 3.9262 3.9387 3.9387 4.5421 4.5421 4.6339 4.6339 5.2745 5.2745 5.3828 5.3828 7.1162 7.1162 7.1659 7.1659 8.0066 8.0066 8.0231 8.0231 k = 0.5000 0.1332-0.0000 ( 2244 PWs) bands (ev): -6.8349 -6.8349 -6.8348 -6.8348 -6.7318 -6.7318 -6.7316 -6.7316 -2.3776 -2.3776 -2.3764 -2.3764 -1.7460 -1.7460 -1.7434 -1.7434 2.0985 2.0985 2.1603 2.1603 2.5437 2.5437 2.6125 2.6125 3.1224 3.1224 3.2655 3.2655 3.8511 3.8511 3.8571 3.8571 4.5017 4.5017 4.6019 4.6019 5.2849 5.2849 5.3990 5.3990 7.1402 7.1402 7.1972 7.1972 8.1273 8.1273 8.1474 8.1474 k = 0.5000 0.1454-0.0000 ( 2240 PWs) bands (ev): -6.8262 -6.8262 -6.8262 -6.8262 -6.7252 -6.7252 -6.7249 -6.7249 -2.3577 -2.3577 -2.3563 -2.3563 -1.7397 -1.7397 -1.7368 -1.7368 2.0407 2.0407 2.1019 2.1019 2.4622 2.4622 2.5315 2.5315 3.0747 3.0747 3.2180 3.2180 3.7775 3.7775 3.7791 3.7791 4.4548 4.4548 4.5603 4.5603 5.2869 5.2869 5.4044 5.4044 7.1824 7.1824 7.2456 7.2456 8.2570 8.2570 8.2805 8.2805 k = 0.5000 0.1575-0.0000 ( 2240 PWs) bands (ev): -6.8170 -6.8170 -6.8170 -6.8170 -6.7182 -6.7182 -6.7180 -6.7180 -2.3364 -2.3364 -2.3349 -2.3349 -1.7332 -1.7332 -1.7300 -1.7300 1.9766 1.9766 2.0359 2.0359 2.3854 2.3854 2.4555 2.4555 3.0271 3.0271 3.1684 3.1684 3.7066 3.7066 3.7074 3.7074 4.4022 4.4022 4.5107 4.5107 5.2809 5.2809 5.3995 5.3995 7.2410 7.2410 7.3096 7.3096 8.3940 8.3940 8.4209 8.4209 k = 0.5000 0.1696-0.0000 ( 2248 PWs) bands (ev): -6.8074 -6.8074 -6.8073 -6.8073 -6.7110 -6.7110 -6.7107 -6.7107 -2.3138 -2.3138 -2.3122 -2.3122 -1.7267 -1.7267 -1.7232 -1.7232 1.9073 1.9073 1.9639 1.9639 2.3128 2.3128 2.3833 2.3833 2.9792 2.9792 3.1154 3.1154 3.6416 3.6416 3.6425 3.6425 4.3450 4.3450 4.4547 4.4547 5.2677 5.2677 5.3857 5.3857 7.3135 7.3135 7.3867 7.3867 8.5367 8.5367 8.5671 8.5671 k = 0.5000 0.1817-0.0000 ( 2252 PWs) bands (ev): -6.7973 -6.7973 -6.7972 -6.7972 -6.7035 -6.7035 -6.7032 -6.7032 -2.2900 -2.2900 -2.2882 -2.2882 -1.7201 -1.7201 -1.7163 -1.7163 1.8344 1.8344 1.8880 1.8880 2.2441 2.2441 2.3143 2.3143 2.9301 2.9301 3.0584 3.0584 3.5840 3.5840 3.5854 3.5854 4.2844 4.2844 4.3938 4.3938 5.2488 5.2488 5.3648 5.3648 7.3974 7.3974 7.4745 7.4745 8.6837 8.6837 8.7179 8.7179 k = 0.5000 0.1938-0.0000 ( 2252 PWs) bands (ev): -6.7869 -6.7869 -6.7868 -6.7868 -6.6958 -6.6958 -6.6955 -6.6955 -2.2650 -2.2650 -2.2632 -2.2632 -1.7136 -1.7136 -1.7095 -1.7095 1.7594 1.7594 1.8101 1.8101 2.1784 2.1784 2.2472 2.2472 2.8794 2.8794 2.9972 2.9972 3.5325 3.5325 3.5382 3.5382 4.2217 4.2217 4.3297 4.3297 5.2253 5.2253 5.3384 5.3384 7.4900 7.4900 7.5705 7.5705 8.8330 8.8330 8.8719 8.8719 k = 0.5000 0.2059-0.0000 ( 2244 PWs) bands (ev): -6.7762 -6.7762 -6.7761 -6.7761 -6.6880 -6.6880 -6.6877 -6.6877 -2.2391 -2.2391 -2.2370 -2.2370 -1.7072 -1.7072 -1.7029 -1.7029 1.6839 1.6839 1.7317 1.7317 2.1150 2.1150 2.1813 2.1813 2.8269 2.8269 2.9326 2.9326 3.4881 3.4881 3.4991 3.4991 4.1582 4.1582 4.2642 4.2642 5.1982 5.1982 5.3078 5.3078 7.5889 7.5889 7.6723 7.6723 8.9831 8.9831 9.0275 9.0275 k = 0.5000 0.2180-0.0000 ( 2240 PWs) bands (ev): -6.7653 -6.7653 -6.7652 -6.7652 -6.6802 -6.6802 -6.6799 -6.6799 -2.2123 -2.2123 -2.2101 -2.2101 -1.7012 -1.7012 -1.6965 -1.6965 1.6089 1.6089 1.6541 1.6541 2.0535 2.0535 2.1164 2.1164 2.7731 2.7731 2.8658 2.8658 3.4495 3.4495 3.4663 3.4663 4.0958 4.0958 4.1990 4.1990 5.1685 5.1685 5.2742 5.2742 7.6918 7.6918 7.7779 7.7779 9.1315 9.1315 9.1832 9.1832 k = 0.5000 0.2301-0.0000 ( 2236 PWs) bands (ev): -6.7543 -6.7543 -6.7542 -6.7542 -6.6723 -6.6723 -6.6720 -6.6720 -2.1848 -2.1848 -2.1824 -2.1824 -1.6954 -1.6954 -1.6904 -1.6904 1.5355 1.5355 1.5783 1.5783 1.9934 1.9934 2.0521 2.0521 2.7188 2.7188 2.7985 2.7985 3.4153 3.4153 3.4376 3.4376 4.0363 4.0363 4.1362 4.1362 5.1368 5.1368 5.2383 5.2383 7.7971 7.7971 7.8857 7.8857 9.2749 9.2749 9.3363 9.3363 k = 0.5000 0.2423-0.0000 ( 2240 PWs) bands (ev): -6.7432 -6.7432 -6.7431 -6.7431 -6.6646 -6.6646 -6.6643 -6.6643 -2.1567 -2.1567 -2.1542 -2.1542 -1.6901 -1.6901 -1.6849 -1.6849 1.4644 1.4644 1.5049 1.5049 1.9346 1.9346 1.9885 1.9885 2.6650 2.6650 2.7322 2.7322 3.3829 3.3829 3.4102 3.4102 3.9816 3.9816 4.0779 4.0779 5.1035 5.1035 5.2009 5.2009 7.9032 7.9032 7.9941 7.9941 9.4096 9.4096 9.4839 9.4839 k = 0.5000 0.2544-0.0000 ( 2226 PWs) bands (ev): -6.7321 -6.7321 -6.7320 -6.7320 -6.6570 -6.6570 -6.6566 -6.6566 -2.1283 -2.1283 -2.1256 -2.1256 -1.6853 -1.6853 -1.6798 -1.6798 1.3963 1.3963 1.4348 1.4348 1.8771 1.8771 1.9257 1.9257 2.6131 2.6131 2.6684 2.6684 3.3503 3.3503 3.3820 3.3820 3.9340 3.9340 4.0262 4.0262 5.0691 5.0691 5.1624 5.1624 8.0092 8.0092 8.1021 8.1021 9.5305 9.5305 9.6217 9.6217 k = 0.5000 0.2665-0.0000 ( 2234 PWs) bands (ev): -6.7211 -6.7211 -6.7210 -6.7210 -6.6496 -6.6496 -6.6492 -6.6492 -2.0997 -2.0997 -2.0968 -2.0968 -1.6811 -1.6811 -1.6753 -1.6753 1.3317 1.3317 1.3682 1.3682 1.8207 1.8207 1.8637 1.8637 2.5640 2.5640 2.6084 2.6084 3.3148 3.3148 3.3503 3.3503 3.8951 3.8951 3.9828 3.9828 5.0339 5.0339 5.1230 5.1230 8.1138 8.1138 8.2086 8.2086 9.6312 9.6312 9.7425 9.7425 k = 0.5000 0.2786-0.0000 ( 2234 PWs) bands (ev): -6.7104 -6.7104 -6.7102 -6.7102 -6.6425 -6.6425 -6.6421 -6.6421 -2.0711 -2.0711 -2.0680 -2.0680 -1.6774 -1.6774 -1.6715 -1.6715 1.2709 1.2709 1.3055 1.3055 1.7656 1.7656 1.8029 1.8029 2.5189 2.5189 2.5532 2.5532 3.2751 3.2751 3.3138 3.3138 3.8663 3.8663 3.9493 3.9493 4.9982 4.9982 5.0833 5.0833 8.2167 8.2167 8.3130 8.3130 9.7065 9.7065 9.8369 9.8369 k = 0.5000 0.2907-0.0000 ( 2234 PWs) bands (ev): -6.6998 -6.6998 -6.6997 -6.6997 -6.6357 -6.6357 -6.6354 -6.6354 -2.0427 -2.0427 -2.0394 -2.0394 -1.6745 -1.6745 -1.6683 -1.6683 1.2143 1.2143 1.2471 1.2471 1.7119 1.7119 1.7436 1.7436 2.4784 2.4784 2.5034 2.5034 3.2307 3.2307 3.2719 3.2719 3.8477 3.8477 3.9259 3.9259 4.9623 4.9623 5.0434 5.0434 8.3172 8.3172 8.4148 8.4148 9.7541 9.7541 9.8961 9.8961 k = 0.5000 0.3028-0.0000 ( 2238 PWs) bands (ev): -6.6896 -6.6896 -6.6895 -6.6895 -6.6294 -6.6294 -6.6290 -6.6290 -2.0148 -2.0148 -2.0113 -2.0113 -1.6722 -1.6722 -1.6659 -1.6659 1.1621 1.1621 1.1930 1.1930 1.6598 1.6598 1.6860 1.6860 2.4429 2.4429 2.4597 2.4597 3.1820 3.1820 3.2248 3.2248 3.8388 3.8388 3.9122 3.9122 4.9265 4.9265 5.0035 5.0035 8.4149 8.4149 8.5135 8.5135 9.7766 9.7766 9.9201 9.9201 k = 0.5000 0.3149-0.0000 ( 2244 PWs) bands (ev): -6.6799 -6.6799 -6.6797 -6.6797 -6.6235 -6.6235 -6.6232 -6.6232 -1.9876 -1.9876 -1.9839 -1.9839 -1.6707 -1.6707 -1.6643 -1.6643 1.1144 1.1144 1.1434 1.1434 1.6096 1.6096 1.6307 1.6307 2.4129 2.4129 2.4223 2.4223 3.1302 3.1302 3.1738 3.1738 3.8381 3.8381 3.9069 3.9069 4.8911 4.8911 4.9639 4.9639 8.5095 8.5095 8.6088 8.6088 9.7791 9.7791 9.9177 9.9177 k = 0.5000 0.3271-0.0000 ( 2246 PWs) bands (ev): -6.6706 -6.6706 -6.6704 -6.6704 -6.6182 -6.6182 -6.6178 -6.6178 -1.9613 -1.9613 -1.9575 -1.9575 -1.6700 -1.6700 -1.6635 -1.6635 1.0715 1.0715 1.0985 1.0985 1.5616 1.5616 1.5782 1.5782 2.3884 2.3884 2.3915 2.3915 3.0769 3.0769 3.1204 3.1204 3.8441 3.8441 3.9083 3.9083 4.8566 4.8566 4.9250 4.9250 8.6009 8.6009 8.7005 8.7005 9.7673 9.7673 9.8986 9.8986 k = 0.5000 0.3392-0.0000 ( 2252 PWs) bands (ev): -6.6619 -6.6619 -6.6617 -6.6617 -6.6134 -6.6134 -6.6131 -6.6131 -1.9362 -1.9362 -1.9323 -1.9323 -1.6700 -1.6700 -1.6634 -1.6634 1.0335 1.0335 1.0583 1.0583 1.5165 1.5165 1.5291 1.5291 2.3671 2.3671 2.3692 2.3692 3.0235 3.0235 3.0661 3.0661 3.8552 3.8552 3.9148 3.9148 4.8233 4.8233 4.8870 4.8870 8.6888 8.6888 8.7882 8.7882 9.7452 9.7452 9.8693 9.8693 k = 0.5000 0.3513-0.0000 ( 2256 PWs) bands (ev): -6.6539 -6.6539 -6.6537 -6.6537 -6.6093 -6.6093 -6.6089 -6.6089 -1.9126 -1.9126 -1.9086 -1.9086 -1.6706 -1.6706 -1.6642 -1.6642 1.0004 1.0004 1.0228 1.0228 1.4746 1.4746 1.4838 1.4838 2.3488 2.3488 2.3552 2.3552 2.9717 2.9717 3.0125 3.0125 3.8699 3.8699 3.9245 3.9245 4.7919 4.7919 4.8504 4.8504 8.7732 8.7732 8.8719 8.8719 9.7161 9.7161 9.8335 9.8335 k = 0.5000 0.3634-0.0000 ( 2260 PWs) bands (ev): -6.6466 -6.6466 -6.6465 -6.6465 -6.6057 -6.6057 -6.6054 -6.6054 -1.8908 -1.8908 -1.8868 -1.8868 -1.6719 -1.6719 -1.6657 -1.6657 0.9722 0.9722 0.9921 0.9921 1.4367 1.4367 1.4431 1.4431 2.3363 2.3363 2.3457 2.3457 2.9230 2.9230 2.9611 2.9611 3.8869 3.8869 3.9362 3.9362 4.7629 4.7629 4.8157 4.8157 8.8537 8.8537 8.9510 8.9510 9.6822 9.6822 9.7934 9.7934 k = 0.5000 0.3755-0.0000 ( 2260 PWs) bands (ev): -6.6402 -6.6402 -6.6401 -6.6401 -6.6028 -6.6028 -6.6025 -6.6025 -1.8711 -1.8711 -1.8672 -1.8672 -1.6736 -1.6736 -1.6678 -1.6678 0.9489 0.9489 0.9660 0.9660 1.4032 1.4032 1.4074 1.4074 2.3289 2.3289 2.3400 2.3400 2.8787 2.8787 2.9133 2.9133 3.9050 3.9050 3.9482 3.9482 4.7373 4.7373 4.7836 4.7836 8.9302 8.9302 9.0248 9.0248 9.6455 9.6455 9.7503 9.7503 k = 0.5000 0.3876-0.0000 ( 2248 PWs) bands (ev): -6.6347 -6.6347 -6.6346 -6.6346 -6.6005 -6.6005 -6.6002 -6.6002 -1.8538 -1.8538 -1.8501 -1.8501 -1.6755 -1.6755 -1.6703 -1.6703 0.9304 0.9304 0.9445 0.9445 1.3748 1.3748 1.3774 1.3774 2.3258 2.3258 2.3374 2.3374 2.8404 2.8404 2.8704 2.8704 3.9230 3.9230 3.9593 3.9593 4.7158 4.7158 4.7546 4.7546 9.0021 9.0021 9.0919 9.0919 9.6083 9.6083 9.7054 9.7054 k = 0.5000 0.3997-0.0000 ( 2252 PWs) bands (ev): -6.6304 -6.6304 -6.6302 -6.6302 -6.5988 -6.5988 -6.5986 -6.5986 -1.8394 -1.8394 -1.8363 -1.8363 -1.6775 -1.6775 -1.6732 -1.6732 0.9166 0.9166 0.9274 0.9274 1.3520 1.3520 1.3534 1.3534 2.3259 2.3259 2.3365 2.3365 2.8095 2.8095 2.8337 2.8337 3.9397 3.9397 3.9681 3.9681 4.6992 4.6992 4.7296 4.7296 9.0683 9.0683 9.1495 9.1495 9.5735 9.5735 9.6597 9.6597 k = 0.5000 0.4118-0.0000 ( 2252 PWs) bands (ev): -6.6271 -6.6271 -6.6270 -6.6270 -6.5976 -6.5976 -6.5975 -6.5975 -1.8284 -1.8284 -1.8260 -1.8260 -1.6790 -1.6790 -1.6759 -1.6759 0.9074 0.9074 0.9148 0.9148 1.3353 1.3353 1.3360 1.3360 2.3281 2.3281 2.3362 2.3362 2.7875 2.7875 2.8046 2.8046 3.9541 3.9541 3.9738 3.9738 4.6883 4.6883 4.7093 4.7093 9.1271 9.1271 9.1927 9.1927 9.5466 9.5466 9.6152 9.6152 k = 0.5000 0.4240-0.0000 ( 2256 PWs) bands (ev): -6.6250 -6.6250 -6.6250 -6.6250 -6.5970 -6.5970 -6.5969 -6.5969 -1.8212 -1.8212 -1.8199 -1.8199 -1.6798 -1.6798 -1.6782 -1.6782 0.9027 0.9027 0.9065 0.9065 1.3252 1.3252 1.3255 1.3255 2.3311 2.3311 2.3355 2.3355 2.7756 2.7756 2.7845 2.7845 3.9653 3.9653 3.9753 3.9753 4.6838 4.6838 4.6944 4.6944 9.1753 9.1753 9.2136 9.2136 9.5356 9.5356 9.5753 9.5753 k = 0.5000 0.4361-0.0000 ( 2252 PWs) bands (ev): -6.6243 -6.6243 -6.6243 -6.6243 -6.5967 -6.5967 -6.5967 -6.5967 -1.8183 -1.8183 -1.8183 -1.8183 -1.6795 -1.6795 -1.6795 -1.6795 0.9025 0.9025 0.9025 0.9025 1.3219 1.3219 1.3219 1.3219 2.3338 2.3338 2.3338 2.3338 2.7746 2.7746 2.7746 2.7746 3.9725 3.9725 3.9725 3.9725 4.6858 4.6858 4.6858 4.6858 9.2068 9.2068 9.2068 9.2068 9.5462 9.5462 9.5462 9.5462 k = 0.5000 0.4361-0.0000 ( 2252 PWs) bands (ev): -6.6243 -6.6243 -6.6243 -6.6243 -6.5967 -6.5967 -6.5967 -6.5967 -1.8183 -1.8183 -1.8183 -1.8183 -1.6795 -1.6795 -1.6795 -1.6795 0.9025 0.9025 0.9025 0.9025 1.3219 1.3219 1.3219 1.3219 2.3338 2.3338 2.3338 2.3338 2.7746 2.7746 2.7746 2.7746 3.9725 3.9725 3.9725 3.9725 4.6858 4.6858 4.6858 4.6858 9.2068 9.2068 9.2068 9.2068 9.5462 9.5462 9.5462 9.5462 k = 0.4881 0.4361-0.0000 ( 2258 PWs) bands (ev): -6.6289 -6.6289 -6.6269 -6.6269 -6.5963 -6.5963 -6.5942 -6.5942 -1.8287 -1.8287 -1.8172 -1.8172 -1.6799 -1.6799 -1.6681 -1.6681 0.8972 0.8972 0.9033 0.9033 1.3213 1.3213 1.3324 1.3324 2.3230 2.3230 2.3376 2.3376 2.7803 2.7803 2.7884 2.7884 3.9620 3.9620 3.9767 3.9767 4.6824 4.6824 4.6973 4.6973 9.1815 9.1815 9.2004 9.2004 9.5556 9.5556 9.5689 9.5689 k = 0.4762 0.4361-0.0000 ( 2266 PWs) bands (ev): -6.6385 -6.6385 -6.6356 -6.6356 -6.5939 -6.5939 -6.5908 -6.5908 -1.8451 -1.8451 -1.8259 -1.8259 -1.6688 -1.6688 -1.6490 -1.6490 0.8886 0.8886 0.9000 0.9000 1.3305 1.3305 1.3518 1.3518 2.3073 2.3073 2.3350 2.3350 2.8049 2.8049 2.8195 2.8195 3.9458 3.9458 3.9746 3.9746 4.6871 4.6871 4.7161 4.7161 9.1340 9.1340 9.1658 9.1658 9.5935 9.5935 9.6141 9.6141 k = 0.4643 0.4361-0.0000 ( 2266 PWs) bands (ev): -6.6512 -6.6512 -6.6479 -6.6479 -6.5920 -6.5920 -6.5885 -6.5885 -1.8645 -1.8645 -1.8411 -1.8411 -1.6496 -1.6496 -1.6252 -1.6252 0.8785 0.8785 0.8940 0.8940 1.3476 1.3476 1.3781 1.3781 2.2905 2.2905 2.3294 2.3294 2.8453 2.8453 2.8645 2.8645 3.9252 3.9252 3.9667 3.9667 4.6995 4.6995 4.7414 4.7414 9.0749 9.0749 9.1148 9.1148 9.6481 9.6481 9.6711 9.6711 k = 0.4524 0.4361-0.0000 ( 2266 PWs) bands (ev): -6.6662 -6.6662 -6.6629 -6.6629 -6.5915 -6.5915 -6.5878 -6.5878 -1.8853 -1.8853 -1.8598 -1.8598 -1.6256 -1.6256 -1.5988 -1.5988 0.8687 0.8687 0.8872 0.8872 1.3703 1.3703 1.4088 1.4088 2.2762 2.2762 2.3248 2.3248 2.8975 2.8975 2.9198 2.9198 3.9017 3.9017 3.9543 3.9543 4.7188 4.7188 4.7719 4.7719 9.0103 9.0103 9.0557 9.0557 9.7109 9.7109 9.7336 9.7336 k = 0.4405 0.4361-0.0000 ( 2266 PWs) bands (ev): -6.6833 -6.6833 -6.6799 -6.6799 -6.5928 -6.5928 -6.5890 -6.5890 -1.9067 -1.9067 -1.8803 -1.8803 -1.5988 -1.5988 -1.5708 -1.5708 0.8611 0.8611 0.8816 0.8816 1.3962 1.3962 1.4416 1.4416 2.2674 2.2674 2.3248 2.3248 2.9582 2.9582 2.9826 2.9826 3.8768 3.8768 3.9392 3.9392 4.7437 4.7437 4.8065 4.8065 8.9430 8.9430 8.9929 8.9929 9.7771 9.7771 9.7981 9.7981 k = 0.4286 0.4361-0.0000 ( 2270 PWs) bands (ev): -6.7022 -6.7022 -6.6989 -6.6989 -6.5959 -6.5959 -6.5922 -6.5922 -1.9284 -1.9284 -1.9017 -1.9017 -1.5705 -1.5705 -1.5418 -1.5418 0.8570 0.8570 0.8788 0.8788 1.4232 1.4232 1.4745 1.4745 2.2664 2.2664 2.3318 2.3318 3.0246 3.0246 3.0506 3.0506 3.8523 3.8523 3.9231 3.9231 4.7730 4.7730 4.8443 4.8443 8.8747 8.8747 8.9283 8.9283 9.8439 9.8439 9.8625 9.8625 k = 0.4167 0.4361-0.0000 ( 2270 PWs) bands (ev): -6.7226 -6.7226 -6.7194 -6.7194 -6.6010 -6.6010 -6.5972 -6.5972 -1.9503 -1.9503 -1.9237 -1.9237 -1.5413 -1.5413 -1.5124 -1.5124 0.8576 0.8576 0.8803 0.8803 1.4499 1.4499 1.5060 1.5060 2.2746 2.2746 2.3474 2.3474 3.0941 3.0941 3.1219 3.1219 3.8301 3.8301 3.9083 3.9083 4.8056 4.8056 4.8843 4.8843 8.8062 8.8062 8.8633 8.8633 9.9096 9.9096 9.9252 9.9252 k = 0.4048 0.4361-0.0000 ( 2268 PWs) bands (ev): -6.7445 -6.7445 -6.7414 -6.7414 -6.6078 -6.6078 -6.6041 -6.6041 -1.9723 -1.9723 -1.9461 -1.9461 -1.5120 -1.5120 -1.4830 -1.4830 0.8637 0.8637 0.8870 0.8870 1.4755 1.4755 1.5353 1.5353 2.2926 2.2926 2.3721 2.3721 3.1644 3.1644 3.1947 3.1947 3.8127 3.8127 3.8969 3.8969 4.8406 4.8406 4.9260 4.9260 8.7379 8.7379 8.7983 8.7983 9.9724 9.9724 9.9845 9.9845 k = 0.3929 0.4361-0.0000 ( 2268 PWs) bands (ev): -6.7677 -6.7677 -6.7646 -6.7646 -6.6165 -6.6165 -6.6128 -6.6128 -1.9947 -1.9947 -1.9690 -1.9690 -1.4829 -1.4829 -1.4542 -1.4542 0.8761 0.8761 0.8998 0.8998 1.5000 1.5000 1.5624 1.5624 2.3197 2.3197 2.4055 2.4055 3.2327 3.2327 3.2669 3.2669 3.8029 3.8029 3.8917 3.8917 4.8772 4.8772 4.9688 4.9688 8.6700 8.6700 8.7336 8.7336 10.0303 10.0303 10.0387 10.0387 k = 0.3810 0.4361-0.0000 ( 2260 PWs) bands (ev): -6.7920 -6.7920 -6.7890 -6.7890 -6.6267 -6.6267 -6.6231 -6.6231 -2.0173 -2.0173 -1.9922 -1.9922 -1.4546 -1.4546 -1.4262 -1.4262 0.8951 0.8951 0.9192 0.9192 1.5240 1.5240 1.5879 1.5879 2.3549 2.3549 2.4465 2.4465 3.2959 3.2959 3.3362 3.3362 3.8046 3.8046 3.8956 3.8956 4.9150 4.9150 5.0124 5.0124 8.6031 8.6031 8.6700 8.6700 10.0813 10.0813 10.0856 10.0856 k = 0.3690 0.4361-0.0000 ( 2260 PWs) bands (ev): -6.8172 -6.8172 -6.8143 -6.8143 -6.6385 -6.6385 -6.6349 -6.6349 -2.0404 -2.0404 -2.0161 -2.0161 -1.4274 -1.4274 -1.3995 -1.3995 0.9211 0.9211 0.9456 0.9456 1.5481 1.5481 1.6129 1.6129 2.3962 2.3962 2.4933 2.4933 3.3509 3.3509 3.4004 3.4004 3.8213 3.8213 3.9116 3.9116 4.9534 4.9534 5.0565 5.0565 8.5371 8.5371 8.6072 8.6072 10.1224 10.1224 10.1227 10.1227 k = 0.3571 0.4361-0.0000 ( 2264 PWs) bands (ev): -6.8433 -6.8433 -6.8405 -6.8405 -6.6517 -6.6517 -6.6482 -6.6482 -2.0639 -2.0639 -2.0405 -2.0405 -1.4018 -1.4018 -1.3745 -1.3745 0.9543 0.9543 0.9791 0.9791 1.5734 1.5734 1.6387 1.6387 2.4411 2.4411 2.5435 2.5435 3.3960 3.3960 3.4582 3.4582 3.8558 3.8558 3.9422 3.9422 4.9923 4.9923 5.1008 5.1008 8.4722 8.4722 8.5454 8.5454 10.1471 10.1471 10.1505 10.1505 k = 0.3452 0.4361-0.0000 ( 2266 PWs) bands (ev): -6.8699 -6.8699 -6.8672 -6.8672 -6.6662 -6.6662 -6.6628 -6.6628 -2.0880 -2.0880 -2.0654 -2.0654 -1.3779 -1.3779 -1.3514 -1.3514 0.9948 0.9948 1.0200 1.0200 1.6011 1.6011 1.6665 1.6665 2.4872 2.4872 2.5947 2.5947 3.4329 3.4329 3.5096 3.5096 3.9079 3.9079 3.9883 3.9883 5.0314 5.0314 5.1454 5.1454 8.4083 8.4083 8.4848 8.4848 10.1558 10.1558 10.1623 10.1623 k = 0.3333 0.4361-0.0000 ( 2270 PWs) bands (ev): -6.8971 -6.8971 -6.8945 -6.8945 -6.6818 -6.6818 -6.6784 -6.6784 -2.1125 -2.1125 -2.0909 -2.0909 -1.3561 -1.3561 -1.3305 -1.3305 1.0425 1.0425 1.0683 1.0683 1.6319 1.6319 1.6975 1.6975 2.5321 2.5321 2.6440 2.6440 3.4661 3.4661 3.5572 3.5572 3.9745 3.9745 4.0484 4.0484 5.0709 5.0709 5.1902 5.1902 8.3456 8.3456 8.4253 8.4253 10.1464 10.1464 10.1551 10.1551 k = 0.3214 0.4361-0.0000 ( 2262 PWs) bands (ev): -6.9246 -6.9246 -6.9221 -6.9221 -6.6983 -6.6983 -6.6951 -6.6951 -2.1374 -2.1374 -2.1168 -2.1168 -1.3366 -1.3366 -1.3119 -1.3119 1.0973 1.0973 1.1238 1.1238 1.6667 1.6667 1.7327 1.7327 2.5736 2.5736 2.6887 2.6887 3.5011 3.5011 3.6047 3.6047 4.0518 4.0518 4.1198 4.1198 5.1107 5.1107 5.2353 5.2353 8.2843 8.2843 8.3673 8.3673 10.1174 10.1174 10.1271 10.1271 k = 0.3095 0.4361-0.0000 ( 2258 PWs) bands (ev): -6.9522 -6.9522 -6.9499 -6.9499 -6.7156 -6.7156 -6.7125 -6.7125 -2.1629 -2.1629 -2.1432 -2.1432 -1.3196 -1.3196 -1.2959 -1.2959 1.1591 1.1591 1.1864 1.1864 1.7059 1.7059 1.7726 1.7726 2.6101 2.6101 2.7268 2.7268 3.5426 3.5426 3.6557 3.6557 4.1359 4.1359 4.1990 4.1990 5.1511 5.1511 5.2808 5.2808 8.2242 8.2242 8.3104 8.3104 10.0686 10.0686 10.0783 10.0783 k = 0.2976 0.4361-0.0000 ( 2274 PWs) bands (ev): -6.9800 -6.9800 -6.9777 -6.9777 -6.7337 -6.7337 -6.7306 -6.7306 -2.1886 -2.1886 -2.1699 -2.1699 -1.3052 -1.3052 -1.2826 -1.2826 1.2274 1.2274 1.2558 1.2558 1.7499 1.7499 1.8176 1.8176 2.6406 2.6406 2.7569 2.7569 3.5932 3.5932 3.7128 3.7128 4.2243 4.2243 4.2831 4.2831 5.1922 5.1922 5.3268 5.3268 8.1653 8.1653 8.2548 8.2548 10.0008 10.0008 10.0096 10.0096 k = 0.2857 0.4361-0.0000 ( 2268 PWs) bands (ev): -7.0076 -7.0076 -7.0054 -7.0054 -6.7522 -6.7522 -6.7493 -6.7493 -2.2146 -2.2146 -2.1969 -2.1969 -1.2933 -1.2933 -1.2718 -1.2718 1.3020 1.3020 1.3317 1.3317 1.7987 1.7987 1.8680 1.8680 2.6652 2.6652 2.7795 2.7795 3.6542 3.6542 3.7775 3.7775 4.3151 4.3151 4.3698 4.3698 5.2347 5.2347 5.3737 5.3737 8.1079 8.1079 8.2006 8.2006 9.9165 9.9165 9.9239 9.9239 k = 0.2738 0.4361-0.0000 ( 2264 PWs) bands (ev): -7.0350 -7.0350 -7.0329 -7.0329 -6.7710 -6.7710 -6.7682 -6.7682 -2.2406 -2.2406 -2.2239 -2.2239 -1.2840 -1.2840 -1.2636 -1.2636 1.3822 1.3822 1.4135 1.4135 1.8522 1.8522 1.9236 1.9236 2.6848 2.6848 2.7956 2.7956 3.7248 3.7248 3.8499 3.8499 4.4069 4.4069 4.4574 4.4574 5.2787 5.2787 5.4215 5.4215 8.0521 8.0521 8.1480 8.1480 9.8178 9.8178 9.8234 9.8234 k = 0.2619 0.4361-0.0000 ( 2256 PWs) bands (ev): -7.0620 -7.0620 -7.0601 -7.0601 -6.7901 -6.7901 -6.7874 -6.7874 -2.2667 -2.2667 -2.2510 -2.2510 -1.2771 -1.2771 -1.2579 -1.2579 1.4676 1.4676 1.5007 1.5007 1.9101 1.9101 1.9841 1.9841 2.7007 2.7007 2.8075 2.8075 3.8034 3.8034 3.9290 3.9290 4.4989 4.4989 4.5443 4.5443 5.3249 5.3249 5.4703 5.4703 7.9980 7.9980 8.0969 8.0969 9.7068 9.7068 9.7108 9.7108 k = 0.2500 0.4361-0.0000 ( 2248 PWs) bands (ev): -7.0886 -7.0886 -7.0868 -7.0868 -6.8093 -6.8093 -6.8067 -6.8067 -2.2926 -2.2926 -2.2779 -2.2779 -1.2726 -1.2726 -1.2545 -1.2545 1.5573 1.5573 1.5925 1.5925 1.9718 1.9718 2.0490 2.0490 2.7150 2.7150 2.8176 2.8176 3.8878 3.8878 4.0137 4.0137 4.5903 4.5903 4.6296 4.6296 5.3735 5.3735 5.5204 5.5204 7.9457 7.9457 8.0474 8.0474 9.5857 9.5857 9.5880 9.5880 k = 0.2381 0.4361-0.0000 ( 2252 PWs) bands (ev): -7.1147 -7.1147 -7.1129 -7.1129 -6.8284 -6.8284 -6.8260 -6.8260 -2.3183 -2.3183 -2.3045 -2.3045 -1.2702 -1.2702 -1.2532 -1.2532 1.6502 1.6502 1.6876 1.6876 2.0367 2.0367 2.1173 2.1173 2.7301 2.7301 2.8287 2.8287 3.9759 3.9759 4.1020 4.1020 4.6809 4.6809 4.7126 4.7126 5.4247 5.4247 5.5714 5.5714 7.8955 7.8955 7.9998 7.9998 9.4562 9.4562 9.4570 9.4570 k = 0.2262 0.4361-0.0000 ( 2264 PWs) bands (ev): -7.1400 -7.1400 -7.1384 -7.1384 -6.8474 -6.8474 -6.8451 -6.8451 -2.3437 -2.3437 -2.3307 -2.3307 -1.2697 -1.2697 -1.2539 -1.2539 1.7447 1.7447 1.7845 1.7845 2.1043 2.1043 2.1882 2.1882 2.7489 2.7489 2.8435 2.8435 4.0654 4.0654 4.1918 4.1918 4.7706 4.7706 4.7934 4.7934 5.4782 5.4782 5.6228 5.6228 7.8479 7.8479 7.9543 7.9543 9.3195 9.3195 9.3198 9.3198 k = 0.2143 0.4361-0.0000 ( 2264 PWs) bands (ev): -7.1646 -7.1646 -7.1631 -7.1631 -6.8660 -6.8660 -6.8638 -6.8638 -2.3684 -2.3684 -2.3563 -2.3563 -1.2709 -1.2709 -1.2562 -1.2562 1.8388 1.8388 1.8803 1.8803 2.1750 2.1750 2.2608 2.2608 2.7748 2.7748 2.8651 2.8651 4.1542 4.1542 4.2810 4.2810 4.8599 4.8599 4.8725 4.8725 5.5337 5.5337 5.6741 5.6741 7.8033 7.8033 7.9113 7.9113 9.1775 9.1775 9.1786 9.1786 k = 0.2024 0.4361-0.0000 ( 2264 PWs) bands (ev): -7.1883 -7.1883 -7.1869 -7.1869 -6.8843 -6.8843 -6.8822 -6.8822 -2.3926 -2.3926 -2.3813 -2.3813 -1.2736 -1.2736 -1.2599 -1.2599 1.9292 1.9292 1.9709 1.9709 2.2502 2.2502 2.3350 2.3350 2.8111 2.8111 2.8962 2.8962 4.2404 4.2404 4.3671 4.3671 4.9492 4.9492 4.9508 4.9508 5.5897 5.5897 5.7239 5.7239 7.7625 7.7625 7.8713 7.8713 9.0324 9.0324 9.0339 9.0339 k = 0.1905 0.4361-0.0000 ( 2276 PWs) bands (ev): -7.2111 -7.2111 -7.2098 -7.2098 -6.9020 -6.9020 -6.9000 -6.9000 -2.4159 -2.4159 -2.4055 -2.4055 -1.2775 -1.2775 -1.2649 -1.2649 2.0118 2.0118 2.0504 2.0504 2.3334 2.3334 2.4123 2.4123 2.8605 2.8605 2.9388 2.9388 4.3222 4.3222 4.4479 4.4479 5.0299 5.0299 5.0391 5.0391 5.6447 5.6447 5.7706 5.7706 7.7262 7.7262 7.8347 7.8347 8.8856 8.8856 8.8873 8.8873 k = 0.1786 0.4361-0.0000 ( 2276 PWs) bands (ev): -7.2329 -7.2329 -7.2316 -7.2316 -6.9191 -6.9191 -6.9173 -6.9173 -2.4384 -2.4384 -2.4288 -2.4288 -1.2824 -1.2824 -1.2707 -1.2707 2.0816 2.0816 2.1138 2.1138 2.4278 2.4278 2.4956 2.4956 2.9243 2.9243 2.9946 2.9946 4.3980 4.3980 4.5211 4.5211 5.1111 5.1111 5.1302 5.1302 5.6964 5.6964 5.8121 5.8121 7.6955 7.6955 7.8024 7.8024 8.7392 8.7392 8.7407 8.7407 k = 0.1667 0.4361-0.0000 ( 2276 PWs) bands (ev): -7.2536 -7.2536 -7.2524 -7.2524 -6.9355 -6.9355 -6.9338 -6.9338 -2.4599 -2.4599 -2.4510 -2.4510 -1.2880 -1.2880 -1.2773 -1.2773 2.1354 2.1354 2.1597 2.1597 2.5343 2.5343 2.5882 2.5882 3.0019 3.0019 3.0633 3.0633 4.4669 4.4669 4.5855 4.5855 5.1951 5.1951 5.2226 5.2226 5.7424 5.7424 5.8460 5.8460 7.6713 7.6713 7.7751 7.7751 8.5951 8.5951 8.5960 8.5960 k = 0.1548 0.4361-0.0000 ( 2280 PWs) bands (ev): -7.2731 -7.2731 -7.2720 -7.2720 -6.9512 -6.9512 -6.9496 -6.9496 -2.4803 -2.4803 -2.4721 -2.4721 -1.2941 -1.2941 -1.2844 -1.2844 2.1732 2.1732 2.1905 2.1905 2.6507 2.6507 2.6913 2.6913 3.0916 3.0916 3.1439 3.1439 4.5283 4.5283 4.6403 4.6403 5.2817 5.2817 5.3161 5.3161 5.7800 5.7800 5.8697 5.8697 7.6545 7.6545 7.7533 7.7533 8.4555 8.4555 8.4557 8.4557 k = 0.1429 0.4361-0.0000 ( 2276 PWs) bands (ev): -7.2914 -7.2914 -7.2904 -7.2904 -6.9659 -6.9659 -6.9645 -6.9645 -2.4994 -2.4994 -2.4920 -2.4920 -1.3006 -1.3006 -1.2917 -1.2917 2.1976 2.1976 2.2099 2.2099 2.7744 2.7744 2.8040 2.8040 3.1909 3.1909 3.2347 3.2347 4.5821 4.5821 4.6861 4.6861 5.3696 5.3696 5.4096 5.4096 5.8069 5.8069 5.8810 5.8810 7.6453 7.6453 7.7373 7.7373 8.3224 8.3224 8.3241 8.3241 k = 0.1310 0.4361-0.0000 ( 2266 PWs) bands (ev): -7.3084 -7.3084 -7.3075 -7.3075 -6.9798 -6.9798 -6.9784 -6.9784 -2.5173 -2.5173 -2.5106 -2.5106 -1.3072 -1.3072 -1.2991 -1.2991 2.2122 2.2122 2.2212 2.2212 2.9030 2.9030 2.9238 2.9238 3.2974 3.2974 3.3335 3.3335 4.6287 4.6287 4.7235 4.7235 5.4558 5.4558 5.5015 5.5015 5.8214 5.8214 5.8779 5.8779 7.6425 7.6425 7.7257 7.7257 8.2011 8.2011 8.2051 8.2051 k = 0.1190 0.4361-0.0000 ( 2262 PWs) bands (ev): -7.3241 -7.3241 -7.3233 -7.3233 -6.9926 -6.9926 -6.9914 -6.9914 -2.5339 -2.5339 -2.5279 -2.5279 -1.3137 -1.3137 -1.3065 -1.3065 2.2200 2.2200 2.2268 2.2268 3.0344 3.0344 3.0485 3.0485 3.4089 3.4089 3.4381 3.4381 4.6685 4.6685 4.7536 4.7536 5.5362 5.5362 5.5894 5.5894 5.8231 5.8231 5.8591 5.8591 7.6422 7.6422 7.7147 7.7147 8.0982 8.0982 8.1057 8.1057 k = 0.1071 0.4361-0.0000 ( 2262 PWs) bands (ev): -7.3384 -7.3384 -7.3377 -7.3377 -7.0044 -7.0044 -7.0033 -7.0033 -2.5491 -2.5491 -2.5437 -2.5437 -1.3200 -1.3200 -1.3136 -1.3136 2.2232 2.2232 2.2286 2.2286 3.1671 3.1671 3.1758 3.1758 3.5237 3.5237 3.5468 3.5468 4.7025 4.7025 4.7777 4.7777 5.6036 5.6036 5.6703 5.6703 5.8154 5.8154 5.8249 5.8249 7.6374 7.6374 7.6971 7.6971 8.0233 8.0233 8.0360 8.0360 k = 0.0952 0.4361-0.0000 ( 2266 PWs) bands (ev): -7.3514 -7.3514 -7.3507 -7.3507 -7.0151 -7.0151 -7.0141 -7.0141 -2.5628 -2.5628 -2.5580 -2.5580 -1.3261 -1.3261 -1.3204 -1.3204 2.2236 2.2236 2.2280 2.2280 3.2995 3.2995 3.3038 3.3038 3.6400 3.6400 3.6577 3.6577 4.7311 4.7311 4.7968 4.7968 5.6428 5.6428 5.7379 5.7379 5.7791 5.7791 5.8102 5.8102 7.6203 7.6203 7.6669 7.6669 7.9861 7.9861 8.0043 8.0043 k = 0.0833 0.4361-0.0000 ( 2262 PWs) bands (ev): -7.3629 -7.3629 -7.3623 -7.3623 -7.0246 -7.0246 -7.0237 -7.0237 -2.5750 -2.5750 -2.5709 -2.5709 -1.3316 -1.3316 -1.3267 -1.3267 2.2224 2.2224 2.2260 2.2260 3.4296 3.4296 3.4304 3.4304 3.7560 3.7560 3.7689 3.7689 4.7554 4.7554 4.8117 4.8117 5.6359 5.6359 5.7091 5.7091 5.8037 5.8037 5.8240 5.8240 7.5920 7.5920 7.6287 7.6287 7.9868 7.9868 8.0080 8.0080 k = 0.0714 0.4361-0.0000 ( 2258 PWs) bands (ev): -7.3729 -7.3729 -7.3724 -7.3724 -7.0329 -7.0329 -7.0322 -7.0322 -2.5856 -2.5856 -2.5821 -2.5821 -1.3366 -1.3366 -1.3324 -1.3324 2.2202 2.2202 2.2231 2.2231 3.5532 3.5532 3.5552 3.5552 3.8700 3.8700 3.8786 3.8786 4.7758 4.7758 4.8232 4.8232 5.5906 5.5906 5.6367 5.6367 5.8456 5.8456 5.8486 5.8486 7.5635 7.5635 7.5940 7.5940 8.0148 8.0148 8.0359 8.0359 k = 0.0595 0.4361-0.0000 ( 2264 PWs) bands (ev): -7.3814 -7.3814 -7.3810 -7.3810 -7.0400 -7.0400 -7.0394 -7.0394 -2.5946 -2.5946 -2.5917 -2.5917 -1.3409 -1.3409 -1.3374 -1.3374 2.2176 2.2176 2.2200 2.2200 3.6692 3.6692 3.6732 3.6732 3.9795 3.9795 3.9844 3.9844 4.7930 4.7930 4.8319 4.8319 5.5253 5.5253 5.5562 5.5562 5.8679 5.8679 5.8716 5.8716 7.5448 7.5448 7.5710 7.5710 8.0585 8.0585 8.0779 8.0779 k = 0.0476 0.4361-0.0000 ( 2272 PWs) bands (ev): -7.3884 -7.3884 -7.3880 -7.3880 -7.0458 -7.0458 -7.0453 -7.0453 -2.6020 -2.6020 -2.5997 -2.5997 -1.3444 -1.3444 -1.3417 -1.3417 2.2151 2.2151 2.2170 2.2170 3.7748 3.7748 3.7800 3.7800 4.0818 4.0818 4.0837 4.0837 4.8076 4.8076 4.8385 4.8385 5.4512 5.4512 5.4723 5.4723 5.8768 5.8768 5.8826 5.8826 7.5404 7.5404 7.5627 7.5627 8.1098 8.1098 8.1278 8.1278 k = 0.0357 0.4361-0.0000 ( 2272 PWs) bands (ev): -7.3938 -7.3938 -7.3936 -7.3936 -7.0504 -7.0504 -7.0500 -7.0500 -2.6077 -2.6077 -2.6059 -2.6059 -1.3472 -1.3472 -1.3452 -1.3452 2.2130 2.2130 2.2144 2.2144 3.8653 3.8653 3.8707 3.8707 4.1728 4.1728 4.1730 4.1730 4.8203 4.8203 4.8435 4.8435 5.3766 5.3766 5.3910 5.3910 5.8765 5.8765 5.8821 5.8821 7.5484 7.5484 7.5664 7.5664 8.1643 8.1643 8.1818 8.1818 k = 0.0238 0.4361-0.0000 ( 2268 PWs) bands (ev): -7.3977 -7.3977 -7.3975 -7.3975 -7.0536 -7.0536 -7.0534 -7.0534 -2.6116 -2.6116 -2.6105 -2.6105 -1.3491 -1.3491 -1.3478 -1.3478 2.2114 2.2114 2.2123 2.2123 3.9357 3.9357 3.9402 3.9402 4.2460 4.2460 4.2471 4.2471 4.8315 4.8315 4.8471 4.8471 5.3104 5.3104 5.3198 5.3198 5.8713 5.8713 5.8755 5.8755 7.5635 7.5635 7.5762 7.5762 8.2199 8.2199 8.2382 8.2382 k = 0.0119 0.4361-0.0000 ( 2280 PWs) bands (ev): -7.4000 -7.4000 -7.3999 -7.3999 -7.0555 -7.0555 -7.0554 -7.0554 -2.6140 -2.6140 -2.6134 -2.6134 -1.3502 -1.3502 -1.3495 -1.3495 2.2104 2.2104 2.2109 2.2109 3.9811 3.9811 3.9837 3.9837 4.2956 4.2956 4.2966 4.2966 4.8407 4.8407 4.8487 4.8487 5.2639 5.2639 5.2686 5.2686 5.8660 5.8660 5.8682 5.8682 7.5781 7.5781 7.5848 7.5848 8.2762 8.2762 8.2962 8.2962 k = 0.0000 0.4361-0.0000 ( 2280 PWs) bands (ev): -7.4008 -7.4008 -7.4008 -7.4008 -7.0561 -7.0561 -7.0561 -7.0561 -2.6145 -2.6145 -2.6145 -2.6145 -1.3503 -1.3503 -1.3503 -1.3503 2.2103 2.2103 2.2103 2.2103 3.9976 3.9976 3.9976 3.9976 4.3138 4.3138 4.3138 4.3138 4.8469 4.8469 4.8469 4.8469 5.2482 5.2482 5.2482 5.2482 5.8646 5.8646 5.8646 5.8646 7.5861 7.5861 7.5861 7.5861 8.3297 8.3297 8.3297 8.3297 k = 0.0000 0.4361-0.0000 ( 2280 PWs) bands (ev): -7.4008 -7.4008 -7.4008 -7.4008 -7.0561 -7.0561 -7.0561 -7.0561 -2.6145 -2.6145 -2.6145 -2.6145 -1.3503 -1.3503 -1.3503 -1.3503 2.2103 2.2103 2.2103 2.2103 3.9976 3.9976 3.9976 3.9976 4.3138 4.3138 4.3138 4.3138 4.8469 4.8469 4.8469 4.8469 5.2482 5.2482 5.2482 5.2482 5.8646 5.8646 5.8646 5.8646 7.5861 7.5861 7.5861 7.5861 8.3297 8.3297 8.3297 8.3297 k = 0.0000 0.4240-0.0000 ( 2276 PWs) bands (ev): -7.4403 -7.4403 -7.3621 -7.3621 -7.0967 -7.0967 -7.0159 -7.0159 -2.6605 -2.6605 -2.5638 -2.5638 -1.3938 -1.3938 -1.3032 -1.3032 2.1350 2.1350 2.2863 2.2863 3.9535 3.9535 4.0398 4.0398 4.2733 4.2733 4.3534 4.3534 4.8129 4.8129 4.8705 4.8705 5.1590 5.1590 5.3431 5.3431 5.7988 5.7988 5.9304 5.9304 7.5084 7.5084 7.6683 7.6683 8.2788 8.2788 8.3216 8.3216 k = 0.0000 0.4118-0.0000 ( 2274 PWs) bands (ev): -7.4806 -7.4806 -7.3246 -7.3246 -7.1374 -7.1374 -6.9761 -6.9761 -2.7015 -2.7015 -2.5085 -2.5085 -1.4338 -1.4338 -1.2528 -1.2528 2.0607 2.0607 2.3626 2.3626 3.9078 3.9078 4.0795 4.0795 4.2320 4.2320 4.3919 4.3919 4.7727 4.7727 4.8731 4.8731 5.0847 5.0847 5.4394 5.4394 5.7366 5.7366 5.9934 5.9934 7.4368 7.4368 7.7535 7.7535 8.2127 8.2127 8.2833 8.2833 k = 0.0000 0.3997-0.0000 ( 2272 PWs) bands (ev): -7.5214 -7.5214 -7.2883 -7.2883 -7.1783 -7.1783 -6.9368 -6.9368 -2.7376 -2.7376 -2.4487 -2.4487 -1.4701 -1.4701 -1.1992 -1.1992 1.9874 1.9874 2.4389 2.4389 3.8606 3.8606 4.1162 4.1162 4.1905 4.1905 4.4289 4.4289 4.7286 4.7286 4.8394 4.8394 5.0392 5.0392 5.5338 5.5338 5.6822 5.6822 6.0505 6.0505 7.3736 7.3736 7.8399 7.8399 8.1386 8.1386 8.2523 8.2523 k = 0.0000 0.3876-0.0000 ( 2268 PWs) bands (ev): -7.5626 -7.5626 -7.2534 -7.2534 -7.2191 -7.2191 -6.8982 -6.8982 -2.7685 -2.7685 -2.3846 -2.3846 -1.5025 -1.5025 -1.1425 -1.1425 1.9156 1.9156 2.5147 2.5147 3.8125 3.8125 4.1407 4.1407 4.1579 4.1579 4.4638 4.4638 4.6813 4.6813 4.7726 4.7726 5.0177 5.0177 5.6086 5.6086 5.6552 5.6552 6.0988 6.0988 7.3214 7.3214 7.9243 7.9243 8.0658 8.0658 8.2221 8.2221 k = 0.0000 0.3755-0.0000 ( 2268 PWs) bands (ev): -7.6041 -7.6041 -7.2597 -7.2597 -7.2201 -7.2201 -6.8603 -6.8603 -2.7942 -2.7942 -2.3164 -2.3164 -1.5311 -1.5311 -1.0828 -1.0828 1.8452 1.8452 2.5896 2.5896 3.7636 3.7636 4.1035 4.1035 4.1834 4.1834 4.4944 4.4944 4.6303 4.6303 4.6947 4.6947 4.9994 4.9994 5.5959 5.5959 5.7244 5.7244 6.1359 6.1359 7.2827 7.2827 7.9647 7.9647 8.0396 8.0396 8.1728 8.1729 k = 0.0000 0.3634-0.0000 ( 2270 PWs) bands (ev): -7.6456 -7.6456 -7.3002 -7.3002 -7.1885 -7.1885 -6.8233 -6.8233 -2.8147 -2.8147 -2.2441 -2.2441 -1.5559 -1.5559 -1.0204 -1.0204 1.7764 1.7764 2.6627 2.6627 3.7144 3.7144 4.0610 4.0610 4.2105 4.2105 4.5107 4.5107 4.5733 4.5733 4.6291 4.6291 4.9728 4.9728 5.5812 5.5812 5.8022 5.8022 6.1611 6.1611 7.2594 7.2594 7.9097 7.9097 8.0980 8.0980 8.1203 8.1203 k = 0.0000 0.3513-0.0000 ( 2274 PWs) bands (ev): -7.6870 -7.6870 -7.3402 -7.3402 -7.1587 -7.1587 -6.7873 -6.7873 -2.8299 -2.8299 -2.1680 -2.1680 -1.5767 -1.5767 -0.9555 -0.9555 1.7094 1.7094 2.7334 2.7334 3.6649 3.6649 4.0182 4.0182 4.2341 4.2341 4.4693 4.4693 4.5267 4.5267 4.6073 4.6073 4.9354 4.9354 5.5801 5.5801 5.8660 5.8660 6.1776 6.1776 7.2514 7.2514 7.8533 7.8533 8.0277 8.0277 8.2002 8.2002 k = 0.0000 0.3392-0.0000 ( 2266 PWs) bands (ev): -7.7281 -7.7281 -7.3798 -7.3798 -7.1308 -7.1308 -6.7523 -6.7523 -2.8397 -2.8397 -2.0883 -2.0883 -1.5935 -1.5935 -0.8881 -0.8881 1.6443 1.6443 2.8004 2.8004 3.6155 3.6155 3.9757 3.9757 4.2535 4.2535 4.3879 4.3879 4.4812 4.4812 4.6231 4.6231 4.8893 4.8893 5.5911 5.5911 5.9051 5.9051 6.1934 6.1934 7.2565 7.2565 7.8097 7.8097 7.9527 7.9527 8.2381 8.2381 k = 0.0000 0.3271-0.0000 ( 2258 PWs) bands (ev): -7.7689 -7.7689 -7.4189 -7.4189 -7.1049 -7.1049 -6.7185 -6.7185 -2.8442 -2.8442 -2.0050 -2.0050 -1.6063 -1.6063 -0.8186 -0.8186 1.5812 1.5812 2.8627 2.8627 3.5665 3.5665 3.9336 3.9336 4.2664 4.2664 4.3034 4.3034 4.4320 4.4320 4.6470 4.6470 4.8386 4.8386 5.6109 5.6109 5.9104 5.9104 6.2167 6.2167 7.2708 7.2708 7.7843 7.7843 7.8787 7.8787 8.2544 8.2544 k = 0.0000 0.3149-0.0000 ( 2258 PWs) bands (ev): -7.8091 -7.8091 -7.4573 -7.4573 -7.0810 -7.0810 -6.6860 -6.6860 -2.8434 -2.8434 -1.9185 -1.9185 -1.6153 -1.6153 -0.7471 -0.7471 1.5203 1.5203 2.9183 2.9183 3.5180 3.5180 3.8922 3.8922 4.2131 4.2131 4.2792 4.2792 4.3842 4.3842 4.6694 4.6694 4.7884 4.7884 5.6364 5.6364 5.8835 5.8835 6.2457 6.2457 7.2904 7.2904 7.7788 7.7788 7.8090 7.8090 8.2774 8.2774 k = 0.0000 0.3028-0.0000 ( 2268 PWs) bands (ev): -7.8487 -7.8487 -7.4950 -7.4950 -7.0593 -7.0593 -6.6548 -6.6548 -2.8374 -2.8374 -1.8288 -1.8288 -1.6205 -1.6205 -0.6739 -0.6739 1.4615 1.4615 2.9656 2.9656 3.4703 3.4703 3.8517 3.8517 4.1302 4.1302 4.2727 4.2727 4.3456 4.3456 4.6809 4.6809 4.7500 4.7500 5.6647 5.6647 5.8343 5.8343 6.2713 6.2713 7.3141 7.3141 7.7327 7.7327 7.8060 7.8060 8.3070 8.3070 k = 0.0000 0.2907-0.0000 ( 2264 PWs) bands (ev): -7.8875 -7.8875 -7.5318 -7.5318 -7.0395 -7.0395 -6.6250 -6.6250 -2.8263 -2.8263 -1.7360 -1.7360 -1.6218 -1.6218 -0.5993 -0.5993 1.4050 1.4050 3.0024 3.0024 3.4237 3.4237 3.8124 3.8124 4.0497 4.0497 4.2410 4.2410 4.3283 4.3283 4.6625 4.6625 4.7451 4.7451 5.6901 5.6901 5.7754 5.7754 6.2852 6.2852 7.3440 7.3440 7.6664 7.6664 7.8484 7.8484 8.3435 8.3435 k = 0.0000 0.2786-0.0000 ( 2272 PWs) bands (ev): -7.9255 -7.9255 -7.5678 -7.5678 -7.0219 -7.0219 -6.5967 -6.5967 -2.8103 -2.8103 -1.6411 -1.6411 -1.6192 -1.6192 -0.5234 -0.5234 1.3510 1.3510 3.0265 3.0265 3.3784 3.3784 3.7740 3.7740 3.9724 3.9724 4.1925 4.1925 4.3227 4.3227 4.6309 4.6309 4.7601 4.7601 5.6724 5.6724 5.7510 5.7510 6.2833 6.2833 7.3807 7.3807 7.6046 7.6046 7.9086 7.9086 8.3861 8.3861 k = 0.0000 0.2665-0.0000 ( 2271 PWs) bands (ev): -7.9624 -7.9624 -7.6027 -7.6027 -7.0062 -7.0062 -6.5699 -6.5699 -2.7896 -2.7896 -1.6143 -1.6143 -1.5422 -1.5422 -0.4466 -0.4466 1.2995 1.2995 3.0363 3.0363 3.3348 3.3348 3.7367 3.7367 3.8982 3.8982 4.1385 4.1385 4.3182 4.3182 4.6061 4.6061 4.7779 4.7779 5.5999 5.5999 5.7756 5.7756 6.2652 6.2652 7.4185 7.4185 7.5562 7.5562 7.9816 7.9816 8.4348 8.4348 k = 0.0000 0.2544-0.0000 ( 2275 PWs) bands (ev): -7.9983 -7.9983 -7.6366 -7.6366 -6.9924 -6.9924 -6.5447 -6.5447 -2.7642 -2.7642 -1.6054 -1.6054 -1.4419 -1.4419 -0.3692 -0.3692 1.2506 1.2506 3.0312 3.0312 3.2930 3.2930 3.6995 3.6995 3.8272 3.8272 4.0816 4.0816 4.3117 4.3117 4.5934 4.5934 4.7949 4.7949 5.5171 5.5171 5.8061 5.8061 6.2329 6.2329 7.4232 7.4232 7.5552 7.5552 8.0632 8.0632 8.4893 8.4893 k = 0.0000 0.2423-0.0000 ( 2279 PWs) bands (ev): -8.0330 -8.0330 -7.6694 -7.6694 -6.9806 -6.9806 -6.5210 -6.5210 -2.7347 -2.7347 -1.5935 -1.5935 -1.3393 -1.3393 -0.2916 -0.2916 1.2044 1.2044 3.0116 3.0116 3.2528 3.2528 3.6607 3.6607 3.7594 3.7594 4.0226 4.0226 4.3034 4.3034 4.5945 4.5945 4.8104 4.8104 5.4316 5.4316 5.8357 5.8357 6.1900 6.1900 7.3835 7.3835 7.6115 7.6115 8.1505 8.1505 8.5489 8.5489 k = 0.0000 0.2301-0.0000 ( 2285 PWs) bands (ev): -8.0665 -8.0665 -7.7009 -7.7009 -6.9704 -6.9704 -6.4989 -6.4989 -2.7012 -2.7012 -1.5790 -1.5790 -1.2347 -1.2347 -0.2142 -0.2142 1.1613 1.1613 2.9796 2.9796 3.2140 3.2140 3.6175 3.6175 3.6964 3.6964 3.9612 3.9612 4.2941 4.2941 4.6089 4.6089 4.8240 4.8240 5.3459 5.3459 5.8616 5.8616 6.1414 6.1414 7.3329 7.3329 7.6893 7.6893 8.2413 8.2413 8.6134 8.6134 k = 0.0000 0.2180-0.0000 ( 2289 PWs) bands (ev): -8.0987 -8.0987 -7.7312 -7.7312 -6.9618 -6.9618 -6.4784 -6.4784 -2.6641 -2.6641 -1.5619 -1.5619 -1.1285 -1.1285 -0.1373 -0.1373 1.1212 1.1212 2.9380 2.9380 3.1766 3.1766 3.5654 3.5654 3.6421 3.6421 3.8974 3.8974 4.2844 4.2844 4.6350 4.6350 4.8356 4.8356 5.2616 5.2616 5.8795 5.8795 6.0934 6.0934 7.2817 7.2817 7.7765 7.7765 8.3337 8.3337 8.6821 8.6821 k = 0.0000 0.2059-0.0000 ( 2287 PWs) bands (ev): -8.1295 -8.1295 -7.7602 -7.7602 -6.9547 -6.9547 -6.4594 -6.4594 -2.6236 -2.6236 -1.5428 -1.5428 -1.0209 -1.0209 -0.0615 -0.0615 1.0844 1.0844 2.8892 2.8892 3.1403 3.1403 3.5030 3.5030 3.5974 3.5974 3.8310 3.8310 4.2746 4.2746 4.6707 4.6707 4.8451 4.8451 5.1805 5.1805 5.8800 5.8800 6.0573 6.0573 7.2323 7.2323 7.8688 7.8688 8.4264 8.4264 8.7546 8.7546 k = 0.0000 0.1938-0.0000 ( 2291 PWs) bands (ev): -8.1588 -8.1588 -7.7878 -7.7878 -6.9490 -6.9490 -6.4420 -6.4420 -2.5803 -2.5803 -1.5220 -1.5220 -0.9123 -0.9123 0.0126 0.0126 1.0510 1.0510 2.8359 2.8359 3.1050 3.1050 3.4340 3.4340 3.5588 3.5588 3.7619 3.7619 4.2646 4.2646 4.7127 4.7127 4.8526 4.8526 5.1047 5.1047 5.8529 5.8529 6.0447 6.0447 7.1854 7.1854 7.9639 7.9639 8.5182 8.5182 8.8301 8.8301 k = 0.0000 0.1817-0.0000 ( 2293 PWs) bands (ev): -8.1866 -8.1866 -7.8139 -7.8139 -6.9445 -6.9445 -6.4260 -6.4260 -2.5346 -2.5346 -1.4999 -1.4999 -0.8029 -0.8029 0.0846 0.0846 1.0215 1.0215 2.7800 2.7800 3.0707 3.0707 3.3618 3.3618 3.5232 3.5232 3.6905 3.6905 4.2543 4.2543 4.7560 4.7560 4.8587 4.8587 5.0376 5.0376 5.8032 5.8032 6.0519 6.0519 7.1416 7.1416 8.0602 8.0602 8.6081 8.6081 8.9078 8.9078 k = 0.0000 0.1696-0.0000 ( 2299 PWs) bands (ev): -8.2129 -8.2129 -7.8386 -7.8386 -6.9411 -6.9411 -6.4115 -6.4115 -2.4870 -2.4870 -1.4769 -1.4769 -0.6934 -0.6934 0.1536 0.1536 0.9960 0.9960 2.7231 2.7231 3.0374 3.0374 3.2884 3.2884 3.4882 3.4882 3.6180 3.6180 4.2437 4.2437 4.7868 4.7868 4.8686 4.8686 4.9867 4.9867 5.7430 5.7430 6.0676 6.0676 7.1011 7.1011 8.1565 8.1565 8.6950 8.6950 8.9864 8.9864 k = 0.0000 0.1575-0.0000 ( 2303 PWs) bands (ev): -8.2375 -8.2375 -7.8617 -7.8617 -6.9385 -6.9385 -6.3983 -6.3983 -2.4380 -2.4380 -1.4535 -1.4535 -0.5842 -0.5842 0.2192 0.2192 0.9748 0.9748 2.6668 2.6668 3.0047 3.0047 3.2154 3.2154 3.4504 3.4504 3.5477 3.5477 4.2327 4.2327 4.7825 4.7825 4.8881 4.8881 4.9679 4.9679 5.6791 5.6791 6.0859 6.0859 7.0641 7.0641 8.2517 8.2517 8.7782 8.7782 9.0079 9.0079 k = 0.0000 0.1454-0.0000 ( 2301 PWs) bands (ev): -8.2605 -8.2605 -7.8833 -7.8833 -6.9368 -6.9368 -6.3865 -6.3865 -2.3881 -2.3881 -1.4299 -1.4299 -0.4760 -0.4760 0.2806 0.2806 0.9583 0.9583 2.6121 2.6121 2.9719 2.9719 3.1445 3.1445 3.4016 3.4016 3.4879 3.4879 4.2213 4.2213 4.7490 4.7490 4.8966 4.8966 4.9948 4.9948 5.6149 5.6149 6.1040 6.1040 7.0308 7.0308 8.3449 8.3449 8.8565 8.8565 9.0069 9.0069 k = 0.0000 0.1332-0.0000 ( 2301 PWs) bands (ev): -8.2818 -8.2818 -7.9033 -7.9033 -6.9358 -6.9358 -6.3759 -6.3759 -2.3380 -2.3380 -1.4071 -1.4071 -0.3696 -0.3696 0.3374 0.3374 0.9467 0.9467 2.5600 2.5600 2.9375 2.9375 3.0780 3.0780 3.3354 3.3354 3.4459 3.4459 4.2097 4.2097 4.7053 4.7053 4.8967 4.8967 5.0452 5.0452 5.5520 5.5520 6.1210 6.1210 7.0012 7.0012 8.4352 8.4352 8.9289 8.9289 9.0023 9.0023 k = 0.0000 0.1211-0.0000 ( 2293 PWs) bands (ev): -8.3014 -8.3014 -7.9217 -7.9217 -6.9352 -6.9352 -6.3665 -6.3665 -2.2883 -2.2883 -1.3851 -1.3851 -0.2661 -0.2661 0.3893 0.3893 0.9399 0.9399 2.5116 2.5116 2.8987 2.8987 3.0196 3.0196 3.2582 3.2582 3.4161 3.4161 4.1980 4.1980 4.6606 4.6606 4.8956 4.8956 5.1011 5.1011 5.4918 5.4918 6.1361 6.1361 6.9754 6.9754 8.5219 8.5219 8.9888 8.9888 9.0001 9.0001 k = 0.0000 0.1090-0.0000 ( 2285 PWs) bands (ev): -8.3191 -8.3191 -7.9384 -7.9384 -6.9351 -6.9351 -6.3582 -6.3582 -2.2396 -2.2396 -1.3645 -1.3645 -0.1669 -0.1669 0.4367 0.4367 0.9375 0.9375 2.4675 2.4675 2.8523 2.8523 2.9730 2.9730 3.1772 3.1772 3.3924 3.3924 4.1865 4.1865 4.6188 4.6188 4.8943 4.8943 5.1571 5.1571 5.4351 5.4351 6.1491 6.1491 6.9535 6.9535 8.6041 8.6041 8.9847 8.9847 9.0491 9.0491 k = 0.0000 0.0969-0.0000 ( 2279 PWs) bands (ev): -8.3351 -8.3351 -7.9534 -7.9534 -6.9353 -6.9353 -6.3510 -6.3510 -2.1929 -2.1929 -1.3456 -1.3456 -0.0736 -0.0736 0.4806 0.4806 0.9386 0.9386 2.4283 2.4283 2.7990 2.7990 2.9382 2.9382 3.0962 3.0962 3.3724 3.3724 4.1751 4.1751 4.5811 4.5811 4.8927 4.8927 5.2109 5.2109 5.3829 5.3829 6.1597 6.1597 6.9352 6.9352 8.6810 8.6810 8.9743 8.9743 9.0754 9.0754 k = 0.0000 0.0848-0.0000 ( 2281 PWs) bands (ev): -8.3493 -8.3493 -7.9667 -7.9667 -6.9358 -6.9358 -6.3448 -6.3448 -2.1488 -2.1488 -1.3288 -1.3288 0.0114 0.0114 0.5226 0.5226 0.9416 0.9416 2.3946 2.3946 2.7427 2.7427 2.9115 2.9115 3.0179 3.0179 3.3552 3.3552 4.1641 4.1641 4.5480 4.5480 4.8907 4.8907 5.2605 5.2605 5.3361 5.3361 6.1681 6.1681 6.9204 6.9204 8.7517 8.7517 8.9623 8.9623 9.0609 9.0609 k = 0.0000 0.0727-0.0000 ( 2285 PWs) bands (ev): -8.3616 -8.3616 -7.9783 -7.9783 -6.9363 -6.9363 -6.3396 -6.3396 -2.1080 -2.1080 -1.3143 -1.3143 0.0860 0.0860 0.5652 0.5652 0.9446 0.9446 2.3669 2.3669 2.6871 2.6871 2.8888 2.8888 2.9460 2.9460 3.3406 3.3406 4.1537 4.1537 4.5197 4.5197 4.8884 4.8884 5.2874 5.2874 5.3129 5.3129 6.1744 6.1744 6.9089 6.9089 8.8155 8.8155 8.9500 8.9500 9.0377 9.0377 k = 0.0000 0.0606-0.0000 ( 2285 PWs) bands (ev): -8.3720 -8.3720 -7.9881 -7.9881 -6.9369 -6.9369 -6.3352 -6.3352 -2.0716 -2.0716 -1.3021 -1.3021 0.1478 0.1478 0.6102 0.6102 0.9454 0.9454 2.3451 2.3451 2.6347 2.6347 2.8578 2.8578 2.8931 2.8931 3.3284 3.3284 4.1443 4.1443 4.4961 4.4961 4.8860 4.8860 5.2553 5.2553 5.3492 5.3492 6.1788 6.1788 6.9002 6.9002 8.8709 8.8709 8.9379 8.9379 9.0178 9.0178 k = 0.0000 0.0485-0.0000 ( 2285 PWs) bands (ev): -8.3806 -8.3806 -7.9962 -7.9962 -6.9375 -6.9375 -6.3318 -6.3318 -2.0404 -2.0404 -1.2923 -1.2923 0.1960 0.1960 0.6586 0.6586 0.9418 0.9418 2.3294 2.3294 2.5873 2.5873 2.8073 2.8073 2.8717 2.8717 3.3185 3.3185 4.1360 4.1360 4.4771 4.4771 4.8834 4.8834 5.2260 5.2260 5.3829 5.3829 6.1818 6.1818 6.8939 6.8939 8.9087 8.9087 8.9349 8.9349 9.0030 9.0030 k = 0.0000 0.0363-0.0000 ( 2293 PWs) bands (ev): -8.3873 -8.3873 -8.0024 -8.0024 -6.9380 -6.9380 -6.3291 -6.3291 -2.0151 -2.0151 -1.2849 -1.2849 0.2309 0.2309 0.7093 0.7093 0.9318 0.9318 2.3192 2.3192 2.5469 2.5469 2.7604 2.7604 2.8603 2.8603 3.3107 3.3107 4.1292 4.1292 4.4626 4.4626 4.8810 4.8810 5.2029 5.2029 5.4101 5.4101 6.1835 6.1835 6.8897 6.8897 8.9060 8.9060 8.9639 8.9639 8.9931 8.9931 k = 0.0000 0.0242-0.0000 ( 2297 PWs) bands (ev): -8.3921 -8.3921 -8.0069 -8.0069 -6.9384 -6.9384 -6.3272 -6.3272 -1.9964 -1.9964 -1.2797 -1.2797 0.2539 0.2539 0.7599 0.7599 0.9141 0.9141 2.3137 2.3137 2.5153 2.5153 2.7248 2.7248 2.8531 2.8531 3.3052 3.3052 4.1241 4.1241 4.4523 4.4523 4.8790 4.8790 5.1863 5.1863 5.4299 5.4299 6.1844 6.1844 6.8870 6.8870 8.8974 8.8974 8.9838 8.9838 8.9945 8.9945 k = 0.0000 0.0121-0.0000 ( 2301 PWs) bands (ev): -8.3950 -8.3950 -8.0096 -8.0096 -6.9386 -6.9386 -6.3261 -6.3261 -1.9850 -1.9850 -1.2767 -1.2767 0.2669 0.2669 0.8071 0.8071 0.8884 0.8884 2.3113 2.3113 2.4949 2.4949 2.7026 2.7026 2.8489 2.8489 3.3019 3.3019 4.1210 4.1210 4.4463 4.4463 4.8777 4.8777 5.1763 5.1763 5.4420 5.4420 6.1848 6.1848 6.8855 6.8855 8.8914 8.8914 8.9819 8.9819 9.0104 9.0104 k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -8.3959 -8.3959 -8.0105 -8.0105 -6.9387 -6.9387 -6.3257 -6.3257 -1.9811 -1.9811 -1.2757 -1.2757 0.2711 0.2711 0.8395 0.8395 0.8634 0.8634 2.3108 2.3108 2.4878 2.4878 2.6951 2.6951 2.8475 2.8475 3.3009 3.3009 4.1200 4.1200 4.4442 4.4442 4.8773 4.8773 5.1730 5.1730 5.4460 5.4460 6.1850 6.1850 6.8850 6.8850 8.8894 8.8894 8.9810 8.9810 9.0162 9.0162 k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -8.3959 -8.3959 -8.0105 -8.0105 -6.9387 -6.9387 -6.3257 -6.3257 -1.9811 -1.9811 -1.2757 -1.2757 0.2711 0.2711 0.8395 0.8395 0.8634 0.8634 2.3108 2.3108 2.4878 2.4878 2.6951 2.6951 2.8475 2.8475 3.3009 3.3009 4.1200 4.1200 4.4442 4.4442 4.8773 4.8773 5.1730 5.1730 5.4460 5.4460 6.1850 6.1850 6.8850 6.8850 8.8894 8.8894 8.9810 8.9810 9.0162 9.0162 k = 0.0000 0.0000 0.0118 ( 2301 PWs) bands (ev): -8.3952 -8.3952 -8.0121 -8.0121 -6.9365 -6.9365 -6.3271 -6.3271 -1.9799 -1.9799 -1.2794 -1.2794 0.2754 0.2754 0.8418 0.8418 0.8625 0.8625 2.3007 2.3007 2.4921 2.4921 2.7006 2.7006 2.8494 2.8494 3.2987 3.2987 4.1218 4.1218 4.4428 4.4428 4.8739 4.8739 5.1584 5.1584 5.4486 5.4486 6.1835 6.1835 6.9053 6.9053 8.8777 8.8777 8.9750 8.9750 9.0258 9.0258 k = 0.0000 0.0000 0.0236 ( 2293 PWs) bands (ev): -8.3929 -8.3929 -8.0169 -8.0169 -6.9299 -6.9299 -6.3313 -6.3313 -1.9763 -1.9763 -1.2902 -1.2902 0.2881 0.2881 0.8483 0.8483 0.8600 0.8600 2.2734 2.2734 2.5035 2.5035 2.7156 2.7156 2.8553 2.8553 3.2925 3.2925 4.1269 4.1269 4.4386 4.4386 4.8633 4.8633 5.1175 5.1175 5.4563 5.4563 6.1792 6.1792 6.9636 6.9636 8.8506 8.8506 8.9586 8.9586 9.0470 9.0470 k = 0.0000 0.0000 0.0354 ( 2285 PWs) bands (ev): -8.3890 -8.3890 -8.0247 -8.0247 -6.9192 -6.9192 -6.3383 -6.3383 -1.9704 -1.9704 -1.3076 -1.3076 0.3083 0.3083 0.8524 0.8524 0.8629 0.8629 2.2338 2.2338 2.5195 2.5195 2.7365 2.7365 2.8656 2.8656 3.2825 3.2825 4.1347 4.1347 4.4323 4.4323 4.8427 4.8427 5.0592 5.0592 5.4689 5.4689 6.1723 6.1723 7.0537 7.0537 8.8173 8.8173 8.9347 8.9347 9.0700 9.0700 k = 0.0000 0.0000 0.0472 ( 2283 PWs) bands (ev): -8.3837 -8.3837 -8.0352 -8.0352 -6.9045 -6.9045 -6.3481 -6.3481 -1.9621 -1.9621 -1.3308 -1.3308 0.3348 0.3348 0.8463 0.8463 0.8793 0.8793 2.1860 2.1860 2.5393 2.5393 2.7594 2.7594 2.8810 2.8810 3.2691 3.2691 4.1437 4.1437 4.4250 4.4250 4.8062 4.8062 4.9964 4.9964 5.4861 5.4861 6.1627 6.1627 7.1684 7.1684 8.7827 8.7827 8.9060 8.9060 9.0897 9.0897 k = 0.0000 0.0000 0.0590 ( 2283 PWs) bands (ev): -8.3769 -8.3769 -8.0481 -8.0481 -6.8864 -6.8864 -6.3605 -6.3605 -1.9515 -1.9515 -1.3589 -1.3589 0.3660 0.3660 0.8376 0.8376 0.9022 0.9022 2.1324 2.1324 2.5625 2.5625 2.7812 2.7812 2.9018 2.9018 3.2529 3.2529 4.1522 4.1522 4.4184 4.4184 4.7470 4.7470 4.9430 4.9430 5.5078 5.5078 6.1505 6.1505 7.3006 7.3006 8.7489 8.7489 8.8749 8.8749 9.1037 9.1037 k = 0.0000 0.0000 0.0708 ( 2283 PWs) bands (ev): -8.3686 -8.3686 -8.0632 -8.0632 -6.8650 -6.8650 -6.3754 -6.3754 -1.9385 -1.9385 -1.3907 -1.3907 0.4001 0.4001 0.8271 0.8271 0.9314 0.9314 2.0744 2.0744 2.5893 2.5893 2.8008 2.8008 2.9270 2.9270 3.2345 3.2345 4.1579 4.1579 4.4146 4.4146 4.6670 4.6670 4.9029 4.9029 5.5335 5.5335 6.1354 6.1354 7.4450 7.4450 8.7172 8.7172 8.8429 8.8429 9.1107 9.1107 k = 0.0000 0.0000 0.0826 ( 2283 PWs) bands (ev): -8.3590 -8.3590 -8.0799 -8.0799 -6.8410 -6.8410 -6.3928 -6.3928 -1.9232 -1.9232 -1.4255 -1.4255 0.4355 0.4355 0.8148 0.8148 0.9671 0.9671 2.0130 2.0130 2.6196 2.6196 2.8180 2.8180 2.9547 2.9547 3.2146 3.2146 4.1585 4.1585 4.4154 4.4154 4.5766 4.5766 4.8707 4.8707 5.5630 5.5630 6.1175 6.1175 7.5969 7.5969 8.6886 8.6886 8.8110 8.8110 9.1100 9.1100 k = 0.0000 0.0000 0.0944 ( 2293 PWs) bands (ev): -8.3479 -8.3479 -8.0981 -8.0981 -6.8147 -6.8147 -6.4125 -6.4125 -1.9056 -1.9056 -1.4622 -1.4622 0.4708 0.4708 0.8011 0.8011 1.0096 1.0096 1.9488 1.9488 2.6530 2.6530 2.8338 2.8338 2.9824 2.9824 3.1936 3.1936 4.1529 4.1529 4.4182 4.4182 4.4887 4.4887 4.8416 4.8416 5.5956 5.5956 6.0964 6.0964 7.7527 7.7527 8.6635 8.6635 8.7803 8.7803 9.1009 9.1009 k = 0.0000 0.0000 0.1062 ( 2291 PWs) bands (ev): -8.3355 -8.3355 -8.1172 -8.1172 -6.7864 -6.7864 -6.4344 -6.4344 -1.8856 -1.8856 -1.5001 -1.5001 0.5050 0.5050 0.7860 0.7860 1.0587 1.0587 1.8821 1.8821 2.6890 2.6890 2.8485 2.8485 3.0080 3.0080 3.1724 3.1724 4.1414 4.1414 4.3785 4.3785 4.4540 4.4540 4.8129 4.8129 5.6311 5.6311 6.0723 6.0723 7.9092 7.9092 8.6426 8.6426 8.7516 8.7516 9.0831 9.0831 k = 0.0000 0.0000 0.1180 ( 2287 PWs) bands (ev): -8.3218 -8.3218 -8.1370 -8.1370 -6.7568 -6.7568 -6.4583 -6.4583 -1.8635 -1.8635 -1.5384 -1.5384 0.5374 0.5374 0.7696 0.7696 1.1139 1.1139 1.8134 1.8134 2.7269 2.7269 2.8624 2.8624 3.0298 3.0298 3.1514 3.1514 4.1258 4.1258 4.3011 4.3011 4.4707 4.4707 4.7836 4.7836 5.6688 5.6688 6.0452 6.0452 8.0633 8.0633 8.6258 8.6258 8.7254 8.7254 9.0561 9.0561 k = 0.0000 0.0000 0.1298 ( 2299 PWs) bands (ev): -8.3069 -8.3069 -8.1573 -8.1573 -6.7262 -6.7262 -6.4839 -6.4839 -1.8391 -1.8391 -1.5767 -1.5767 0.5677 0.5677 0.7520 0.7520 1.1744 1.1744 1.7428 1.7428 2.7654 2.7654 2.8750 2.8750 3.0462 3.0462 3.1314 3.1314 4.1086 4.1086 4.2301 4.2301 4.4961 4.4961 4.7533 4.7533 5.7080 5.7080 6.0151 6.0151 8.2113 8.2113 8.6132 8.6132 8.7026 8.7026 9.0188 9.0188 k = 0.0000 0.0000 0.1416 ( 2297 PWs) bands (ev): -8.2909 -8.2909 -8.1776 -8.1776 -6.6948 -6.6948 -6.5112 -6.5112 -1.8126 -1.8126 -1.6145 -1.6145 0.5960 0.5960 0.7333 0.7333 1.2396 1.2396 1.6710 1.6710 2.8028 2.8028 2.8855 2.8855 3.0569 3.0569 3.1130 3.1130 4.0926 4.0926 4.1714 4.1714 4.5254 4.5254 4.7220 4.7220 5.7485 5.7485 5.9823 5.9823 8.3494 8.3494 8.6047 8.6047 8.6854 8.6854 8.9705 8.9705 k = 0.0000 0.0000 0.1534 ( 2289 PWs) bands (ev): -8.2739 -8.2739 -8.1979 -8.1979 -6.6631 -6.6631 -6.5398 -6.5398 -1.7840 -1.7840 -1.6513 -1.6513 0.6224 0.6224 0.7135 0.7135 1.3081 1.3081 1.5982 1.5982 2.8368 2.8368 2.8921 2.8921 3.0631 3.0631 3.0969 3.0969 4.0807 4.0807 4.1268 4.1268 4.5570 4.5570 4.6897 4.6897 5.7895 5.7895 5.9470 5.9470 8.4709 8.4709 8.5998 8.5998 8.6783 8.6783 8.9104 8.9104 k = 0.0000 0.0000 0.1652 ( 2296 PWs) bands (ev): -8.2560 -8.2560 -8.2178 -8.2178 -6.6315 -6.6315 -6.5696 -6.5696 -1.7534 -1.7534 -1.6869 -1.6869 0.6472 0.6472 0.6926 0.6926 1.3791 1.3791 1.5249 1.5249 2.8645 2.8645 2.8922 2.8922 3.0676 3.0676 3.0835 3.0835 4.0756 4.0756 4.0966 4.0966 4.5898 4.5898 4.6567 4.6567 5.8304 5.8304 5.9096 5.9096 8.5572 8.5572 8.5966 8.5966 8.6976 8.6976 8.8389 8.8389 k = 0.0000 0.0000 0.1770 ( 2296 PWs) bands (ev): -8.2372 -8.2372 -8.2372 -8.2372 -6.6002 -6.6002 -6.6002 -6.6002 -1.7210 -1.7210 -1.7210 -1.7210 0.6705 0.6705 0.6705 0.6705 1.4516 1.4516 1.4516 1.4516 2.8835 2.8835 2.8835 2.8835 3.0738 3.0738 3.0738 3.0738 4.0801 4.0801 4.0801 4.0801 4.6232 4.6232 4.6232 4.6232 5.8705 5.8705 5.8705 5.8705 8.5895 8.5895 8.5895 8.5895 8.7610 8.7610 8.7610 8.7610 k = 0.0000 0.0000 0.1770 ( 2296 PWs) bands (ev): -8.2372 -8.2372 -8.2372 -8.2372 -6.6002 -6.6002 -6.6002 -6.6002 -1.7210 -1.7210 -1.7210 -1.7210 0.6705 0.6705 0.6705 0.6705 1.4516 1.4516 1.4516 1.4516 2.8835 2.8835 2.8835 2.8835 3.0738 3.0738 3.0738 3.0738 4.0801 4.0801 4.0801 4.0801 4.6232 4.6232 4.6232 4.6232 5.8705 5.8705 5.8705 5.8705 8.5895 8.5895 8.5895 8.5895 8.7610 8.7610 8.7610 8.7610 k = 0.0119-0.0000 0.1770 ( 2288 PWs) bands (ev): -8.2362 -8.2362 -8.2362 -8.2362 -6.5998 -6.5998 -6.5996 -6.5996 -1.7230 -1.7230 -1.7216 -1.7216 0.6672 0.6672 0.6679 0.6679 1.4523 1.4523 1.4528 1.4528 2.8608 2.8608 2.9054 2.9054 3.0528 3.0528 3.0943 3.0943 4.0774 4.0774 4.0842 4.0842 4.6200 4.6200 4.6205 4.6205 5.8695 5.8695 5.8751 5.8751 8.5925 8.5925 8.5950 8.5950 8.7608 8.7608 8.7663 8.7663 k = 0.0238-0.0000 0.1770 ( 2296 PWs) bands (ev): -8.2331 -8.2331 -8.2331 -8.2331 -6.5984 -6.5984 -6.5981 -6.5981 -1.7276 -1.7276 -1.7247 -1.7247 0.6578 0.6578 0.6594 0.6594 1.4549 1.4549 1.4558 1.4558 2.8376 2.8376 2.9257 2.9257 3.0322 3.0322 3.1140 3.1140 4.0759 4.0759 4.0897 4.0897 4.6110 4.6110 4.6115 4.6115 5.8719 5.8719 5.8827 5.8827 8.6036 8.6036 8.6072 8.6072 8.7667 8.7667 8.7762 8.7762 k = 0.0357-0.0000 0.1770 ( 2304 PWs) bands (ev): -8.2280 -8.2280 -8.2280 -8.2280 -6.5960 -6.5960 -6.5956 -6.5956 -1.7348 -1.7348 -1.7304 -1.7304 0.6424 0.6424 0.6448 0.6448 1.4593 1.4593 1.4608 1.4608 2.8141 2.8141 2.9423 2.9423 3.0142 3.0142 3.1328 3.1328 4.0752 4.0752 4.0968 4.0968 4.5966 4.5966 4.5972 4.5972 5.8774 5.8774 5.8930 5.8930 8.6214 8.6214 8.6229 8.6229 8.7818 8.7818 8.7921 8.7921 k = 0.0476-0.0000 0.1770 ( 2308 PWs) bands (ev): -8.2209 -8.2209 -8.2208 -8.2208 -6.5927 -6.5927 -6.5921 -6.5921 -1.7445 -1.7445 -1.7387 -1.7387 0.6211 0.6211 0.6242 0.6242 1.4658 1.4658 1.4677 1.4677 2.7905 2.7905 2.9482 2.9482 3.0062 3.0062 3.1509 3.1509 4.0750 4.0750 4.1054 4.1054 4.5767 4.5767 4.5799 4.5799 5.8854 5.8854 5.9053 5.9053 8.6372 8.6372 8.6427 8.6427 8.8096 8.8096 8.8157 8.8157 k = 0.0595-0.0000 0.1770 ( 2304 PWs) bands (ev): -8.2118 -8.2118 -8.2117 -8.2117 -6.5884 -6.5884 -6.5877 -6.5877 -1.7567 -1.7567 -1.7496 -1.7496 0.5938 0.5938 0.5977 0.5977 1.4742 1.4742 1.4768 1.4768 2.7672 2.7672 2.9373 2.9373 3.0146 3.0146 3.1683 3.1683 4.0750 4.0750 4.1156 4.1156 4.5525 4.5525 4.5603 4.5603 5.8952 5.8952 5.9186 5.9186 8.6460 8.6460 8.6632 8.6632 8.8496 8.8496 8.8524 8.8524 k = 0.0714-0.0000 0.1770 ( 2306 PWs) bands (ev): -8.2006 -8.2006 -8.2005 -8.2005 -6.5833 -6.5833 -6.5823 -6.5823 -1.7714 -1.7714 -1.7629 -1.7629 0.5606 0.5606 0.5653 0.5653 1.4848 1.4848 1.4880 1.4880 2.7441 2.7441 2.9177 2.9177 3.0317 3.0317 3.1851 3.1851 4.0745 4.0745 4.1272 4.1272 4.5253 4.5253 4.5398 4.5398 5.9059 5.9059 5.9321 5.9321 8.6478 8.6478 8.6787 8.6787 8.8953 8.8953 8.9094 8.9094 k = 0.0833-0.0000 0.1770 ( 2290 PWs) bands (ev): -8.1874 -8.1874 -8.1873 -8.1873 -6.5773 -6.5773 -6.5762 -6.5762 -1.7886 -1.7886 -1.7788 -1.7788 0.5216 0.5216 0.5271 0.5271 1.4975 1.4975 1.5014 1.5014 2.7217 2.7217 2.8956 2.8956 3.0517 3.0517 3.2017 3.2017 4.0733 4.0733 4.1400 4.1400 4.4961 4.4961 4.5200 4.5200 5.9166 5.9166 5.9450 5.9450 8.6425 8.6425 8.6870 8.6870 8.9524 8.9524 8.9780 8.9780 k = 0.0952-0.0000 0.1770 ( 2286 PWs) bands (ev): -8.1722 -8.1722 -8.1721 -8.1721 -6.5706 -6.5706 -6.5693 -6.5693 -1.8081 -1.8081 -1.7971 -1.7971 0.4770 0.4770 0.4833 0.4833 1.5125 1.5125 1.5170 1.5170 2.7000 2.7000 2.8731 2.8731 3.0728 3.0728 3.2182 3.2182 4.0709 4.0709 4.1538 4.1538 4.4661 4.4661 4.5020 4.5020 5.9265 5.9265 5.9565 5.9565 8.6294 8.6294 8.6862 8.6862 9.0171 9.0171 9.0539 9.0539 k = 0.1071-0.0000 0.1770 ( 2286 PWs) bands (ev): -8.1551 -8.1551 -8.1550 -8.1550 -6.5631 -6.5631 -6.5617 -6.5617 -1.8300 -1.8300 -1.8178 -1.8178 0.4270 0.4270 0.4339 0.4339 1.5297 1.5297 1.5350 1.5350 2.6793 2.6793 2.8511 2.8511 3.0946 3.0946 3.2347 3.2347 4.0669 4.0669 4.1682 4.1682 4.4364 4.4364 4.4869 4.4869 5.9348 5.9348 5.9657 5.9657 8.6079 8.6079 8.6754 8.6754 9.0853 9.0853 9.1332 9.1332 k = 0.1190-0.0000 0.1770 ( 2278 PWs) bands (ev): -8.1360 -8.1360 -8.1359 -8.1359 -6.5550 -6.5550 -6.5535 -6.5535 -1.8541 -1.8541 -1.8408 -1.8408 0.3717 0.3717 0.3792 0.3792 1.5492 1.5492 1.5553 1.5553 2.6598 2.6598 2.8300 2.8300 3.1171 3.1171 3.2517 3.2517 4.0615 4.0615 4.1830 4.1830 4.4080 4.4080 4.4755 4.4755 5.9408 5.9408 5.9722 5.9722 8.5767 8.5767 8.6527 8.6527 9.1505 9.1505 9.2099 9.2099 k = 0.1310-0.0000 0.1770 ( 2278 PWs) bands (ev): -8.1150 -8.1150 -8.1148 -8.1148 -6.5464 -6.5464 -6.5447 -6.5447 -1.8804 -1.8804 -1.8660 -1.8660 0.3116 0.3116 0.3195 0.3195 1.5710 1.5710 1.5779 1.5779 2.6417 2.6417 2.8101 2.8101 3.1402 3.1402 3.2692 3.2692 4.0547 4.0547 4.1973 4.1973 4.3823 4.3823 4.4682 4.4682 5.9439 5.9439 5.9755 5.9755 8.5348 8.5348 8.6164 8.6164 9.2020 9.2020 9.2744 9.2744 k = 0.1429-0.0000 0.1770 ( 2274 PWs) bands (ev): -8.0921 -8.0921 -8.0919 -8.0919 -6.5374 -6.5374 -6.5355 -6.5355 -1.9086 -1.9086 -1.8932 -1.8932 0.2468 0.2468 0.2552 0.2552 1.5952 1.5952 1.6029 1.6029 2.6253 2.6253 2.7919 2.7919 3.1640 3.1640 3.2876 3.2876 4.0470 4.0470 4.2104 4.2104 4.3605 4.3605 4.4649 4.4649 5.9437 5.9437 5.9750 5.9750 8.4820 8.4820 8.5660 8.5660 9.2227 9.2227 9.3075 9.3075 k = 0.1548-0.0000 0.1770 ( 2276 PWs) bands (ev): -8.0673 -8.0673 -8.0671 -8.0671 -6.5280 -6.5280 -6.5260 -6.5260 -1.9386 -1.9386 -1.9224 -1.9224 0.1778 0.1778 0.1864 0.1864 1.6217 1.6217 1.6302 1.6302 2.6107 2.6107 2.7755 2.7755 3.1886 3.1886 3.3069 3.3069 4.0388 4.0388 4.2205 4.2205 4.3443 4.3443 4.4652 4.4652 5.9398 5.9398 5.9704 5.9704 8.4187 8.4187 8.5020 8.5020 9.2079 9.2079 9.2887 9.2887 k = 0.1667-0.0000 0.1770 ( 2272 PWs) bands (ev): -8.0407 -8.0407 -8.0405 -8.0405 -6.5185 -6.5185 -6.5164 -6.5164 -1.9702 -1.9702 -1.9532 -1.9532 0.1048 0.1048 0.1136 0.1136 1.6504 1.6504 1.6597 1.6597 2.5982 2.5982 2.7611 2.7611 3.2140 3.2140 3.3272 3.3272 4.0309 4.0309 4.2257 4.2257 4.3360 4.3360 4.4686 4.4686 5.9318 5.9318 5.9616 5.9616 8.3466 8.3466 8.4269 8.4269 9.1757 9.1757 9.2438 9.2438 k = 0.1786-0.0000 0.1770 ( 2266 PWs) bands (ev): -8.0122 -8.0122 -8.0120 -8.0120 -6.5089 -6.5089 -6.5066 -6.5066 -2.0032 -2.0032 -1.9854 -1.9854 0.0284 0.0284 0.0371 0.0371 1.6815 1.6815 1.6915 1.6915 2.5879 2.5879 2.7490 2.7490 3.2404 3.2404 3.3489 3.3489 4.0239 4.0239 4.2251 4.2251 4.3364 4.3364 4.4746 4.4746 5.9196 5.9196 5.9482 5.9482 8.2676 8.2676 8.3434 8.3434 9.1351 9.1351 9.1886 9.1886 k = 0.1905-0.0000 0.1770 ( 2274 PWs) bands (ev): -7.9820 -7.9820 -7.9818 -7.9818 -6.4994 -6.4994 -6.4970 -6.4970 -2.0373 -2.0373 -2.0190 -2.0190 -0.0513 -0.0513 -0.0426 -0.0426 1.7147 1.7147 1.7255 1.7255 2.5799 2.5799 2.7392 2.7392 3.2677 3.2677 3.3718 3.3718 4.0181 4.0181 4.2200 4.2200 4.3438 4.3438 4.4824 4.4824 5.9028 5.9028 5.9300 5.9300 8.1838 8.1838 8.2547 8.2547 9.0865 9.0865 9.1252 9.1252 k = 0.2024-0.0000 0.1770 ( 2270 PWs) bands (ev): -7.9501 -7.9501 -7.9499 -7.9499 -6.4902 -6.4902 -6.4877 -6.4877 -2.0721 -2.0721 -2.0533 -2.0533 -0.1337 -0.1337 -0.1252 -0.1252 1.7502 1.7502 1.7617 1.7617 2.5745 2.5745 2.7322 2.7322 3.2961 3.2961 3.3961 3.3961 4.0138 4.0138 4.2131 4.2131 4.3553 4.3553 4.4915 4.4915 5.8816 5.8816 5.9072 5.9072 8.0974 8.0974 8.1634 8.1634 9.0296 9.0296 9.0553 9.0553 k = 0.2143-0.0000 0.1770 ( 2274 PWs) bands (ev): -7.9165 -7.9165 -7.9163 -7.9163 -6.4814 -6.4814 -6.4787 -6.4787 -2.1075 -2.1075 -2.0883 -2.0883 -0.2186 -0.2186 -0.2104 -0.2104 1.7878 1.7878 1.8000 1.8000 2.5719 2.5719 2.7278 2.7278 3.3255 3.3255 3.4219 3.4219 4.0113 4.0113 4.2060 4.2060 4.3689 4.3689 4.5011 4.5011 5.8558 5.8558 5.8796 5.8796 8.0102 8.0102 8.0719 8.0719 8.9654 8.9654 8.9804 8.9804 k = 0.2262-0.0000 0.1770 ( 2274 PWs) bands (ev): -7.8812 -7.8812 -7.8810 -7.8810 -6.4731 -6.4731 -6.4704 -6.4704 -2.1429 -2.1429 -2.1234 -2.1234 -0.3055 -0.3055 -0.2977 -0.2977 1.8275 1.8275 1.8403 1.8403 2.5721 2.5721 2.7263 2.7263 3.3561 3.3561 3.4492 3.4492 4.0105 4.0105 4.1997 4.1997 4.3829 4.3829 4.5107 4.5107 5.8255 5.8255 5.8472 5.8472 7.9241 7.9241 7.9818 7.9818 8.8956 8.8956 8.9022 8.9022 k = 0.2381-0.0000 0.1770 ( 2274 PWs) bands (ev): -7.8444 -7.8444 -7.8442 -7.8442 -6.4657 -6.4657 -6.4629 -6.4629 -2.1782 -2.1782 -2.1584 -2.1584 -0.3941 -0.3941 -0.3867 -0.3867 1.8693 1.8693 1.8827 1.8827 2.5752 2.5752 2.7278 2.7278 3.3878 3.3878 3.4780 3.4780 4.0113 4.0113 4.1945 4.1945 4.3966 4.3966 4.5198 4.5198 5.7908 5.7908 5.8102 5.8102 7.8403 7.8403 7.8948 7.8948 8.8220 8.8220 8.8222 8.8222 k = 0.2500-0.0000 0.1770 ( 2270 PWs) bands (ev): -7.8061 -7.8061 -7.8059 -7.8059 -6.4593 -6.4593 -6.4564 -6.4564 -2.2127 -2.2127 -2.1928 -2.1928 -0.4840 -0.4840 -0.4772 -0.4772 1.9131 1.9131 1.9270 1.9270 2.5815 2.5815 2.7324 2.7324 3.4206 3.4206 3.5081 3.5081 4.0137 4.0137 4.1903 4.1903 4.4093 4.4093 4.5278 4.5278 5.7519 5.7519 5.7688 5.7688 7.7602 7.7602 7.8120 7.8120 8.7415 8.7415 8.7462 8.7462 k = 0.2619-0.0000 0.1770 ( 2276 PWs) bands (ev): -7.7663 -7.7663 -7.7661 -7.7661 -6.4541 -6.4541 -6.4511 -6.4511 -2.2462 -2.2462 -2.2263 -2.2263 -0.5750 -0.5750 -0.5689 -0.5689 1.9589 1.9589 1.9732 1.9732 2.5907 2.5907 2.7400 2.7400 3.4542 3.4542 3.5395 3.5395 4.0173 4.0173 4.1870 4.1870 4.4205 4.4205 4.5343 4.5343 5.7090 5.7090 5.7232 5.7232 7.6850 7.6850 7.7347 7.7347 8.6612 8.6612 8.6695 8.6695 k = 0.2738-0.0000 0.1770 ( 2264 PWs) bands (ev): -7.7251 -7.7251 -7.7250 -7.7250 -6.4502 -6.4502 -6.4472 -6.4472 -2.2782 -2.2782 -2.2583 -2.2583 -0.6667 -0.6667 -0.6611 -0.6611 2.0065 2.0065 2.0211 2.0211 2.6031 2.6031 2.7507 2.7507 3.4888 3.4888 3.5720 3.5720 4.0219 4.0219 4.1842 4.1842 4.4298 4.4298 4.5389 4.5389 5.6625 5.6625 5.6736 5.6736 7.6154 7.6154 7.6637 7.6637 8.5822 8.5822 8.5932 8.5932 k = 0.2857-0.0000 0.1770 ( 2256 PWs) bands (ev): -7.6827 -7.6827 -7.6825 -7.6825 -6.4480 -6.4480 -6.4450 -6.4450 -2.3083 -2.3083 -2.2886 -2.2886 -0.7587 -0.7587 -0.7539 -0.7539 2.0560 2.0560 2.0707 2.0707 2.6186 2.6186 2.7643 2.7643 3.5241 3.5241 3.6055 3.6055 4.0269 4.0269 4.1815 4.1815 4.4370 4.4370 4.5411 4.5411 5.6127 5.6127 5.6205 5.6205 7.5525 7.5525 7.5998 7.5998 8.5050 8.5050 8.5181 8.5181 k = 0.2976-0.0000 0.1770 ( 2254 PWs) bands (ev): -7.6390 -7.6390 -7.6388 -7.6388 -6.4476 -6.4476 -6.4446 -6.4446 -2.3361 -2.3361 -2.3166 -2.3166 -0.8509 -0.8509 -0.8467 -0.8467 2.1071 2.1071 2.1219 2.1219 2.6369 2.6369 2.7808 2.7808 3.5599 3.5599 3.6396 3.6396 4.0322 4.0322 4.1784 4.1784 4.4419 4.4419 4.5406 4.5406 5.5599 5.5599 5.5642 5.5642 7.4967 7.4967 7.5437 7.5437 8.4304 8.4304 8.4448 8.4448 k = 0.3095-0.0000 0.1770 ( 2258 PWs) bands (ev): -7.5942 -7.5942 -7.5941 -7.5941 -6.4493 -6.4493 -6.4462 -6.4462 -2.3611 -2.3611 -2.3419 -2.3419 -0.9428 -0.9428 -0.9394 -0.9394 2.1598 2.1598 2.1745 2.1745 2.6581 2.6581 2.8000 2.8000 3.5960 3.5960 3.6741 3.6741 4.0374 4.0374 4.1746 4.1746 4.4444 4.4444 4.5374 4.5374 5.5048 5.5048 5.5053 5.5053 7.4488 7.4488 7.4959 7.4959 8.3589 8.3589 8.3741 8.3741 k = 0.3214-0.0000 0.1770 ( 2262 PWs) bands (ev): -7.5483 -7.5483 -7.5482 -7.5482 -6.4531 -6.4531 -6.4501 -6.4501 -2.3831 -2.3831 -2.3642 -2.3642 -1.0342 -1.0342 -1.0316 -1.0316 2.2141 2.2141 2.2285 2.2285 2.6820 2.6820 2.8216 2.8216 3.6321 3.6321 3.7085 3.7085 4.0418 4.0418 4.1695 4.1695 4.4445 4.4445 4.5313 4.5313 5.4442 5.4442 5.4478 5.4478 7.4091 7.4091 7.4568 7.4568 8.2910 8.2910 8.3066 8.3066 k = 0.3333-0.0000 0.1770 ( 2262 PWs) bands (ev): -7.5015 -7.5015 -7.5015 -7.5015 -6.4593 -6.4593 -6.4563 -6.4563 -2.4015 -2.4015 -2.3830 -2.3830 -1.1248 -1.1248 -1.1230 -1.1230 2.2697 2.2697 2.2837 2.2837 2.7083 2.7083 2.8456 2.8456 3.6678 3.6678 3.7423 3.7423 4.0454 4.0454 4.1628 4.1628 4.4426 4.4426 4.5225 4.5225 5.3816 5.3816 5.3896 5.3896 7.3782 7.3782 7.4269 7.4269 8.2271 8.2271 8.2428 8.2428 k = 0.3452-0.0000 0.1770 ( 2262 PWs) bands (ev): -7.4539 -7.4539 -7.4539 -7.4539 -6.4681 -6.4681 -6.4651 -6.4651 -2.4160 -2.4160 -2.3980 -2.3980 -1.2143 -1.2143 -1.2132 -1.2132 2.3266 2.3266 2.3398 2.3398 2.7368 2.7368 2.8714 2.8714 3.7026 3.7026 3.7746 3.7746 4.0475 4.0475 4.1541 4.1541 4.4391 4.4391 4.5114 4.5114 5.3180 5.3180 5.3307 5.3307 7.3559 7.3559 7.4062 7.4062 8.1676 8.1676 8.1831 8.1831 k = 0.3571-0.0000 0.1770 ( 2262 PWs) bands (ev): -7.4057 -7.4057 -7.4056 -7.4056 -6.4795 -6.4795 -6.4766 -6.4766 -2.4264 -2.4264 -2.4089 -2.4089 -1.3024 -1.3024 -1.3021 -1.3021 2.3845 2.3845 2.3968 2.3968 2.7670 2.7670 2.8986 2.8986 3.7359 3.7359 3.8048 3.8048 4.0480 4.0480 4.1431 4.1431 4.4349 4.4349 4.4986 4.4986 5.2541 5.2541 5.2718 5.2718 7.3425 7.3425 7.3946 7.3946 8.1130 8.1130 8.1280 8.1280 k = 0.3690-0.0000 0.1770 ( 2258 PWs) bands (ev): -7.3569 -7.3569 -7.3568 -7.3568 -6.4937 -6.4937 -6.4909 -6.4909 -2.4324 -2.4324 -2.4153 -2.4153 -1.3894 -1.3894 -1.3889 -1.3889 2.4433 2.4433 2.4543 2.4543 2.7985 2.7985 2.9267 2.9267 3.7669 3.7669 3.8317 3.8317 4.0464 4.0464 4.1297 4.1297 4.4309 4.4309 4.4851 4.4851 5.1904 5.1904 5.2133 5.2133 7.3379 7.3379 7.3921 7.3921 8.0634 8.0634 8.0777 8.0777 k = 0.3810-0.0000 0.1770 ( 2262 PWs) bands (ev): -7.3077 -7.3077 -7.3075 -7.3075 -6.5108 -6.5108 -6.5081 -6.5081 -2.4336 -2.4336 -2.4172 -2.4172 -1.4749 -1.4749 -1.4735 -1.4735 2.5027 2.5027 2.5121 2.5121 2.8309 2.8309 2.9551 2.9551 3.7947 3.7947 3.8542 3.8542 4.0427 4.0427 4.1138 4.1138 4.4285 4.4285 4.4720 4.4720 5.1274 5.1274 5.1557 5.1557 7.3415 7.3415 7.3983 7.3983 8.0187 8.0187 8.0324 8.0324 k = 0.3929-0.0000 0.1770 ( 2268 PWs) bands (ev): -7.2582 -7.2582 -7.2579 -7.2579 -6.5307 -6.5307 -6.5281 -6.5281 -2.4301 -2.4301 -2.4143 -2.4143 -1.5581 -1.5581 -1.5560 -1.5560 2.5624 2.5624 2.5698 2.5698 2.8634 2.8634 2.9829 2.9829 3.8186 3.8186 3.8711 3.8711 4.0366 4.0366 4.0954 4.0954 4.4293 4.4293 4.4608 4.4608 5.0656 5.0656 5.0995 5.0995 7.3531 7.3531 7.4127 7.4127 7.9791 7.9791 7.9924 7.9924 k = 0.4048-0.0000 0.1770 ( 2272 PWs) bands (ev): -7.2085 -7.2085 -7.2082 -7.2082 -6.5535 -6.5535 -6.5510 -6.5510 -2.4215 -2.4215 -2.4063 -2.4063 -1.6390 -1.6390 -1.6360 -1.6360 2.6221 2.6221 2.6271 2.6271 2.8951 2.8951 3.0094 3.0094 3.8376 3.8376 3.8818 3.8818 4.0282 4.0282 4.0748 4.0748 4.4347 4.4347 4.4532 4.4532 5.0054 5.0054 5.0448 5.0448 7.3724 7.3724 7.4350 7.4350 7.9443 7.9443 7.9576 7.9576 k = 0.4167-0.0000 0.1770 ( 2272 PWs) bands (ev): -7.1590 -7.1590 -7.1586 -7.1586 -6.5791 -6.5791 -6.5768 -6.5768 -2.4078 -2.4078 -2.3933 -2.3933 -1.7172 -1.7172 -1.7134 -1.7134 2.6813 2.6813 2.6833 2.6833 2.9253 2.9253 3.0333 3.0333 3.8515 3.8515 3.8861 3.8861 4.0175 4.0175 4.0520 4.0520 4.4458 4.4458 4.4507 4.4507 4.9471 4.9471 4.9918 4.9918 7.3986 7.3986 7.4644 7.4644 7.9138 7.9138 7.9279 7.9279 k = 0.4286-0.0000 0.1770 ( 2276 PWs) bands (ev): -7.1096 -7.1096 -7.1091 -7.1091 -6.6075 -6.6075 -6.6054 -6.6054 -2.3890 -2.3890 -2.3752 -2.3752 -1.7925 -1.7925 -1.7880 -1.7880 2.7381 2.7381 2.7396 2.7396 2.9527 2.9527 3.0534 3.0534 3.8605 3.8605 3.8852 3.8852 4.0044 4.0044 4.0274 4.0274 4.4546 4.4546 4.4632 4.4632 4.8910 4.8910 4.9405 4.9405 7.4310 7.4310 7.5000 7.5000 7.8865 7.8865 7.9028 7.9028 k = 0.4405-0.0000 0.1770 ( 2270 PWs) bands (ev): -7.0607 -7.0607 -7.0601 -7.0601 -6.6386 -6.6386 -6.6366 -6.6366 -2.3650 -2.3650 -2.3519 -2.3519 -1.8647 -1.8647 -1.8593 -1.8593 2.7905 2.7905 2.7962 2.7962 2.9758 2.9758 3.0682 3.0682 3.8660 3.8660 3.8809 3.8809 3.9892 3.9892 4.0015 4.0015 4.4653 4.4653 4.4865 4.4865 4.8373 4.8373 4.8909 4.8909 7.4688 7.4688 7.5409 7.5409 7.8612 7.8612 7.8816 7.8816 k = 0.4524-0.0000 0.1770 ( 2266 PWs) bands (ev): -7.0124 -7.0124 -7.0116 -7.0116 -6.6723 -6.6723 -6.6704 -6.6704 -2.3358 -2.3358 -2.3235 -2.3235 -1.9334 -1.9334 -1.9273 -1.9273 2.8398 2.8398 2.8505 2.8505 2.9934 2.9934 3.0763 3.0763 3.8697 3.8697 3.8757 3.8757 3.9722 3.9722 3.9750 3.9750 4.4829 4.4829 4.5151 4.5151 4.7860 4.7860 4.8428 4.8428 7.5111 7.5111 7.5858 7.5858 7.8358 7.8358 7.8628 7.8628 k = 0.4643-0.0000 0.1770 ( 2262 PWs) bands (ev): -6.9648 -6.9648 -6.9640 -6.9640 -6.7083 -6.7083 -6.7066 -6.7066 -2.3017 -2.3017 -2.2901 -2.2901 -1.9986 -1.9986 -1.9917 -1.9917 2.8848 2.8848 2.9015 2.9015 3.0038 3.0038 3.0765 3.0765 3.8720 3.8720 3.8737 3.8737 3.9490 3.9490 3.9539 3.9539 4.5066 4.5066 4.5480 4.5480 4.7372 4.7372 4.7962 4.7962 7.5565 7.5565 7.6329 7.6329 7.8081 7.8081 7.8443 7.8443 k = 0.4762-0.0000 0.1770 ( 2266 PWs) bands (ev): -6.9183 -6.9183 -6.9174 -6.9174 -6.7466 -6.7466 -6.7451 -6.7451 -2.2626 -2.2626 -2.2518 -2.2518 -2.0599 -2.0599 -2.0522 -2.0522 2.9244 2.9244 2.9482 2.9482 3.0059 3.0059 3.0679 3.0679 3.8720 3.8720 3.8798 3.8798 3.9249 3.9249 3.9353 3.9353 4.5357 4.5357 4.5843 4.5843 4.6910 4.6910 4.7508 4.7508 7.6037 7.6037 7.6801 7.6801 7.7761 7.7761 7.8236 7.8236 k = 0.4881-0.0000 0.1770 ( 2264 PWs) bands (ev): -6.8730 -6.8730 -6.8719 -6.8719 -6.7870 -6.7870 -6.7856 -6.7856 -2.2187 -2.2187 -2.2087 -2.2087 -2.1172 -2.1172 -2.1087 -2.1087 2.9575 2.9575 2.9893 2.9893 2.9989 2.9989 3.0502 3.0502 3.8771 3.8771 3.8891 3.8891 3.9041 3.9041 3.9176 3.9176 4.5694 4.5694 4.6232 4.6232 4.6474 4.6474 4.7068 4.7068 7.6511 7.6511 7.7250 7.7250 7.7389 7.7389 7.7976 7.7976 k = 0.5000-0.0000 0.1770 ( 2264 PWs) bands (ev): -6.8292 -6.8292 -6.8292 -6.8292 -6.8279 -6.8279 -6.8279 -6.8279 -2.1702 -2.1702 -2.1702 -2.1702 -2.1609 -2.1609 -2.1609 -2.1609 2.9826 2.9826 2.9826 2.9826 3.0237 3.0237 3.0237 3.0237 3.8879 3.8879 3.8879 3.8879 3.9019 3.9019 3.9019 3.9019 4.6068 4.6068 4.6068 4.6068 4.6642 4.6642 4.6642 4.6642 7.6968 7.6968 7.6968 7.6968 7.7648 7.7648 7.7648 7.7648 k = 0.5000-0.0000 0.1770 ( 2264 PWs) bands (ev): -6.8292 -6.8292 -6.8292 -6.8292 -6.8279 -6.8279 -6.8279 -6.8279 -2.1702 -2.1702 -2.1702 -2.1702 -2.1609 -2.1609 -2.1609 -2.1609 2.9826 2.9826 2.9826 2.9826 3.0237 3.0237 3.0237 3.0237 3.8879 3.8879 3.8879 3.8879 3.9019 3.9019 3.9019 3.9019 4.6068 4.6068 4.6068 4.6068 4.6642 4.6642 4.6642 4.6642 7.6968 7.6968 7.6968 7.6968 7.7648 7.7648 7.7648 7.7648 k = 0.5000 0.0121 0.1770 ( 2264 PWs) bands (ev): -6.8289 -6.8289 -6.8287 -6.8287 -6.8276 -6.8276 -6.8275 -6.8275 -2.1699 -2.1699 -2.1690 -2.1690 -2.1606 -2.1606 -2.1597 -2.1597 2.9675 2.9675 2.9859 2.9859 3.0140 3.0140 3.0218 3.0218 3.8739 3.8739 3.8786 3.8786 3.8927 3.8927 3.9139 3.9139 4.5991 4.5991 4.6224 4.6224 4.6667 4.6667 4.6676 4.6676 7.6859 7.6859 7.6949 7.6949 7.7538 7.7538 7.7562 7.7562 k = 0.5000 0.0242 0.1770 ( 2264 PWs) bands (ev): -6.8278 -6.8278 -6.8275 -6.8275 -6.8265 -6.8265 -6.8263 -6.8263 -2.1682 -2.1682 -2.1665 -2.1665 -2.1590 -2.1590 -2.1572 -2.1572 2.9412 2.9412 2.9771 2.9771 2.9931 2.9931 3.0082 3.0082 3.8464 3.8464 3.8524 3.8524 3.8880 3.8880 3.9140 3.9140 4.6000 4.6000 4.6440 4.6440 4.6749 4.6749 4.6757 4.6757 7.6666 7.6666 7.6828 7.6828 7.7290 7.7290 7.7342 7.7342 k = 0.5000 0.0363 0.1770 ( 2268 PWs) bands (ev): -6.8260 -6.8260 -6.8255 -6.8255 -6.8247 -6.8247 -6.8243 -6.8243 -2.1652 -2.1652 -2.1626 -2.1626 -2.1560 -2.1560 -2.1533 -2.1533 2.9046 2.9046 2.9561 2.9561 2.9615 2.9615 2.9829 2.9829 3.8080 3.8080 3.8253 3.8253 3.8743 3.8743 3.9029 3.9029 4.6078 4.6078 4.6686 4.6686 4.6862 4.6862 4.6874 4.6874 7.6467 7.6467 7.6676 7.6676 7.7017 7.7017 7.7099 7.7099 k = 0.5000 0.0485 0.1770 ( 2264 PWs) bands (ev): -6.8234 -6.8234 -6.8227 -6.8227 -6.8221 -6.8221 -6.8215 -6.8215 -2.1608 -2.1608 -2.1573 -2.1573 -2.1516 -2.1516 -2.1480 -2.1480 2.8586 2.8586 2.9199 2.9199 2.9232 2.9232 2.9464 2.9464 3.7660 3.7660 3.7949 3.7949 3.8528 3.8528 3.8827 3.8827 4.6196 4.6196 4.6933 4.6933 4.6968 4.6968 4.7020 4.7020 7.6330 7.6330 7.6571 7.6571 7.6808 7.6808 7.6922 7.6922 k = 0.5000 0.0606 0.1770 ( 2264 PWs) bands (ev): -6.8201 -6.8201 -6.8193 -6.8193 -6.8188 -6.8188 -6.8181 -6.8181 -2.1551 -2.1551 -2.1507 -2.1507 -2.1459 -2.1459 -2.1413 -2.1413 2.8042 2.8042 2.8693 2.8693 2.8792 2.8792 2.8992 2.8992 3.7220 3.7220 3.7624 3.7624 3.8249 3.8249 3.8555 3.8555 4.6323 4.6323 4.7053 4.7053 4.7154 4.7154 4.7162 4.7162 7.6306 7.6306 7.6566 7.6566 7.6718 7.6718 7.6865 7.6865 k = 0.5000 0.0727 0.1770 ( 2260 PWs) bands (ev): -6.8160 -6.8160 -6.8151 -6.8151 -6.8147 -6.8147 -6.8139 -6.8139 -2.1480 -2.1480 -2.1428 -2.1428 -2.1389 -2.1389 -2.1334 -2.1334 2.7425 2.7425 2.8107 2.8107 2.8253 2.8253 2.8426 2.8426 3.6773 3.6773 3.7288 3.7288 3.7918 3.7918 3.8233 3.8233 4.6434 4.6434 4.7101 4.7101 4.7282 4.7282 4.7334 4.7334 7.6422 7.6422 7.6697 7.6697 7.6777 7.6777 7.6956 7.6956 k = 0.5000 0.0848 0.1770 ( 2260 PWs) bands (ev): -6.8113 -6.8113 -6.8102 -6.8102 -6.8100 -6.8100 -6.8090 -6.8090 -2.1397 -2.1397 -2.1336 -2.1336 -2.1306 -2.1306 -2.1241 -2.1241 2.6748 2.6748 2.7453 2.7453 2.7629 2.7629 2.7779 2.7779 3.6318 3.6318 3.6941 3.6941 3.7541 3.7541 3.7869 3.7869 4.6511 4.6511 4.7102 4.7102 4.7365 4.7365 4.7460 4.7460 7.6695 7.6695 7.6981 7.6981 7.7000 7.7000 7.7211 7.7211 k = 0.5000 0.0969 0.1770 ( 2256 PWs) bands (ev): -6.8059 -6.8059 -6.8046 -6.8046 -6.8046 -6.8046 -6.8035 -6.8035 -2.1302 -2.1302 -2.1232 -2.1232 -2.1211 -2.1211 -2.1137 -2.1137 2.6023 2.6023 2.6745 2.6745 2.6937 2.6937 2.7067 2.7067 3.5855 3.5855 3.6579 3.6579 3.7123 3.7123 3.7470 3.7470 4.6546 4.6546 4.7056 4.7056 4.7408 4.7408 4.7533 4.7533 7.7127 7.7127 7.7391 7.7391 7.7426 7.7426 7.7633 7.7633 k = 0.5000 0.1090 0.1770 ( 2268 PWs) bands (ev): -6.7999 -6.7999 -6.7986 -6.7986 -6.7985 -6.7985 -6.7973 -6.7973 -2.1196 -2.1196 -2.1116 -2.1116 -2.1105 -2.1105 -2.1021 -2.1021 2.5261 2.5261 2.5993 2.5993 2.6192 2.6192 2.6303 2.6303 3.5376 3.5376 3.6195 3.6195 3.6663 3.6663 3.7035 3.7035 4.6540 4.6540 4.6968 4.6968 4.7410 4.7410 4.7554 4.7554 7.7713 7.7713 7.7942 7.7942 7.8025 7.8025 7.8213 7.8213 k = 0.5000 0.1211 0.1770 ( 2264 PWs) bands (ev): -6.7933 -6.7933 -6.7920 -6.7920 -6.7917 -6.7917 -6.7906 -6.7906 -2.1078 -2.1078 -2.0989 -2.0989 -2.0988 -2.0988 -2.0893 -2.0893 2.4474 2.4474 2.5213 2.5213 2.5410 2.5410 2.5505 2.5505 3.4877 3.4877 3.5783 3.5783 3.6163 3.6163 3.6562 3.6562 4.6501 4.6501 4.6849 4.6849 4.7380 4.7380 4.7534 4.7534 7.8445 7.8445 7.8646 7.8646 7.8776 7.8776 7.8948 7.8948 k = 0.5000 0.1332 0.1770 ( 2260 PWs) bands (ev): -6.7862 -6.7862 -6.7849 -6.7849 -6.7844 -6.7844 -6.7833 -6.7833 -2.0950 -2.0950 -2.0860 -2.0860 -2.0852 -2.0852 -2.0756 -2.0756 2.3671 2.3671 2.4413 2.4413 2.4604 2.4604 2.4685 2.4685 3.4352 3.4352 3.5335 3.5335 3.5622 3.5622 3.6050 3.6050 4.6439 4.6439 4.6710 4.6710 4.7326 4.7326 4.7483 4.7483 7.9305 7.9305 7.9484 7.9484 7.9659 7.9659 7.9818 7.9818 k = 0.5000 0.1454 0.1770 ( 2260 PWs) bands (ev): -6.7785 -6.7785 -6.7773 -6.7773 -6.7766 -6.7766 -6.7756 -6.7756 -2.0812 -2.0812 -2.0723 -2.0723 -2.0705 -2.0705 -2.0609 -2.0609 2.2860 2.2860 2.3604 2.3604 2.3785 2.3785 2.3853 2.3853 3.3796 3.3796 3.4846 3.4846 3.5039 3.5039 3.5496 3.5496 4.6363 4.6363 4.6565 4.6565 4.7259 4.7259 4.7412 4.7412 8.0275 8.0275 8.0438 8.0438 8.0660 8.0660 8.0805 8.0805 k = 0.5000 0.1575 0.1770 ( 2252 PWs) bands (ev): -6.7705 -6.7705 -6.7692 -6.7692 -6.7684 -6.7684 -6.7674 -6.7674 -2.0666 -2.0666 -2.0578 -2.0578 -2.0550 -2.0550 -2.0453 -2.0453 2.2053 2.2053 2.2795 2.2795 2.2965 2.2965 2.3021 2.3021 3.3207 3.3207 3.4314 3.4314 3.4416 3.4416 3.4900 3.4900 4.6286 4.6286 4.6425 4.6425 4.7188 4.7188 4.7333 4.7333 8.1332 8.1332 8.1486 8.1486 8.1756 8.1756 8.1889 8.1889 k = 0.5000 0.1696 0.1770 ( 2256 PWs) bands (ev): -6.7620 -6.7620 -6.7608 -6.7608 -6.7598 -6.7598 -6.7588 -6.7588 -2.0513 -2.0513 -2.0425 -2.0425 -2.0387 -2.0387 -2.0290 -2.0290 2.1253 2.1253 2.1993 2.1993 2.2151 2.2151 2.2196 2.2196 3.2586 3.2586 3.3737 3.3737 3.3754 3.3754 3.4264 3.4264 4.6216 4.6216 4.6299 4.6299 4.7121 4.7121 4.7254 4.7254 8.2454 8.2454 8.2601 8.2601 8.2927 8.2927 8.3048 8.3048 k = 0.5000 0.1817 0.1770 ( 2260 PWs) bands (ev): -6.7532 -6.7532 -6.7520 -6.7520 -6.7509 -6.7509 -6.7499 -6.7499 -2.0353 -2.0353 -2.0266 -2.0266 -2.0217 -2.0217 -2.0120 -2.0120 2.0469 2.0469 2.1205 2.1205 2.1351 2.1351 2.1385 2.1385 3.1934 3.1934 3.3058 3.3058 3.3119 3.3119 3.3590 3.3590 4.6158 4.6158 4.6194 4.6194 4.7065 4.7065 4.7185 4.7185 8.3615 8.3615 8.3757 8.3757 8.4147 8.4147 8.4255 8.4255 k = 0.5000 0.1938 0.1770 ( 2252 PWs) bands (ev): -6.7441 -6.7441 -6.7430 -6.7430 -6.7417 -6.7417 -6.7407 -6.7407 -2.0187 -2.0187 -2.0102 -2.0102 -2.0041 -2.0041 -1.9945 -1.9945 1.9706 1.9706 2.0437 2.0437 2.0572 2.0572 2.0596 2.0596 3.1254 3.1254 3.2332 3.2332 3.2464 3.2464 3.2883 3.2883 4.6114 4.6114 4.6118 4.6118 4.7024 4.7024 4.7129 4.7129 8.4783 8.4783 8.4922 8.4922 8.5386 8.5386 8.5483 8.5483 k = 0.5000 0.2059 0.1770 ( 2252 PWs) bands (ev): -6.7349 -6.7349 -6.7338 -6.7338 -6.7323 -6.7323 -6.7314 -6.7314 -2.0017 -2.0017 -1.9933 -1.9933 -1.9862 -1.9862 -1.9765 -1.9765 1.8967 1.8967 1.9693 1.9693 1.9817 1.9817 1.9831 1.9831 3.0551 3.0551 3.1583 3.1583 3.1776 3.1776 3.2151 3.2151 4.6060 4.6060 4.6097 4.6097 4.7000 4.7000 4.7090 4.7090 8.5918 8.5918 8.6052 8.6052 8.6604 8.6604 8.6689 8.6689 k = 0.5000 0.2180 0.1770 ( 2252 PWs) bands (ev): -6.7255 -6.7255 -6.7244 -6.7244 -6.7227 -6.7227 -6.7219 -6.7219 -1.9845 -1.9845 -1.9762 -1.9762 -1.9679 -1.9679 -1.9583 -1.9583 1.8260 1.8260 1.8980 1.8980 1.9092 1.9092 1.9098 1.9098 2.9829 2.9829 3.0816 3.0816 3.1064 3.1064 3.1398 3.1398 4.6033 4.6033 4.6096 4.6096 4.6993 4.6993 4.7069 4.7069 8.6973 8.6973 8.7095 8.7095 8.7746 8.7746 8.7821 8.7821 k = 0.5000 0.2301 0.1770 ( 2240 PWs) bands (ev): -6.7160 -6.7160 -6.7150 -6.7150 -6.7131 -6.7131 -6.7123 -6.7123 -1.9670 -1.9670 -1.9589 -1.9589 -1.9494 -1.9494 -1.9399 -1.9399 1.7586 1.7586 1.8300 1.8300 1.8398 1.8398 1.8402 1.8402 2.9096 2.9096 3.0037 3.0037 3.0335 3.0335 3.0633 3.0633 4.6031 4.6031 4.6114 4.6114 4.7005 4.7005 4.7066 4.7066 8.7895 8.7895 8.7994 8.7994 8.8743 8.8743 8.8810 8.8810 k = 0.5000 0.2423 0.1770 ( 2244 PWs) bands (ev): -6.7066 -6.7066 -6.7055 -6.7055 -6.7035 -6.7035 -6.7028 -6.7028 -1.9495 -1.9495 -1.9416 -1.9416 -1.9309 -1.9309 -1.9215 -1.9215 1.6949 1.6949 1.7655 1.7655 1.7736 1.7736 1.7748 1.7748 2.8357 2.8357 2.9254 2.9254 2.9596 2.9596 2.9862 2.9862 4.6050 4.6050 4.6148 4.6148 4.7032 4.7032 4.7081 4.7081 8.8627 8.8627 8.8690 8.8690 8.9513 8.9513 8.9579 8.9579 k = 0.5000 0.2544 0.1770 ( 2244 PWs) bands (ev): -6.6972 -6.6972 -6.6962 -6.6962 -6.6941 -6.6941 -6.6933 -6.6933 -1.9321 -1.9321 -1.9244 -1.9244 -1.9125 -1.9125 -1.9033 -1.9033 1.6352 1.6352 1.7050 1.7050 1.7112 1.7112 1.7134 1.7134 2.7619 2.7619 2.8473 2.8473 2.8854 2.8854 2.9093 2.9093 4.6089 4.6089 4.6197 4.6197 4.7074 4.7074 4.7112 4.7112 8.9138 8.9138 8.9158 8.9158 9.0009 9.0009 9.0078 9.0078 k = 0.5000 0.2665 0.1770 ( 2248 PWs) bands (ev): -6.6880 -6.6880 -6.6870 -6.6870 -6.6847 -6.6847 -6.6840 -6.6840 -1.9149 -1.9149 -1.9076 -1.9076 -1.8944 -1.8944 -1.8854 -1.8854 1.5798 1.5798 1.6486 1.6486 1.6531 1.6531 1.6562 1.6562 2.6888 2.6888 2.7699 2.7699 2.8117 2.8117 2.8331 2.8331 4.6145 4.6145 4.6258 4.6258 4.7129 4.7129 4.7156 4.7156 8.9409 8.9409 8.9432 8.9432 9.0243 9.0243 9.0319 9.0319 k = 0.5000 0.2786 0.1770 ( 2248 PWs) bands (ev): -6.6790 -6.6790 -6.6781 -6.6781 -6.6756 -6.6756 -6.6749 -6.6749 -1.8982 -1.8982 -1.8911 -1.8911 -1.8767 -1.8767 -1.8679 -1.8679 1.5288 1.5288 1.5965 1.5965 1.5993 1.5993 1.6034 1.6034 2.6171 2.6171 2.6940 2.6940 2.7392 2.7392 2.7584 2.7584 4.6213 4.6213 4.6330 4.6330 4.7194 4.7194 4.7212 4.7212 8.9489 8.9489 8.9546 8.9546 9.0278 9.0278 9.0359 9.0359 k = 0.5000 0.2907 0.1770 ( 2248 PWs) bands (ev): -6.6703 -6.6703 -6.6694 -6.6694 -6.6668 -6.6668 -6.6662 -6.6662 -1.8820 -1.8820 -1.8752 -1.8752 -1.8595 -1.8595 -1.8511 -1.8511 1.4824 1.4824 1.5489 1.5489 1.5499 1.5499 1.5550 1.5550 2.5474 2.5474 2.6200 2.6200 2.6686 2.6686 2.6858 2.6858 4.6292 4.6292 4.6408 4.6408 4.7266 4.7266 4.7277 4.7277 8.9445 8.9445 8.9526 8.9526 9.0182 9.0182 9.0264 9.0264 k = 0.5000 0.3028 0.1770 ( 2244 PWs) bands (ev): -6.6619 -6.6619 -6.6612 -6.6612 -6.6584 -6.6584 -6.6578 -6.6578 -1.8664 -1.8664 -1.8601 -1.8601 -1.8430 -1.8430 -1.8349 -1.8349 1.4407 1.4407 1.5049 1.5049 1.5057 1.5057 1.5112 1.5112 2.4804 2.4804 2.5486 2.5486 2.6006 2.6006 2.6160 2.6160 4.6377 4.6377 4.6491 4.6491 4.7343 4.7343 4.7349 4.7349 8.9322 8.9322 8.9416 8.9416 9.0007 9.0007 9.0089 9.0089 k = 0.5000 0.3149 0.1770 ( 2240 PWs) bands (ev): -6.6541 -6.6541 -6.6533 -6.6533 -6.6504 -6.6504 -6.6499 -6.6499 -1.8516 -1.8516 -1.8457 -1.8457 -1.8273 -1.8273 -1.8197 -1.8197 1.4038 1.4038 1.4645 1.4645 1.4671 1.4671 1.4720 1.4720 2.4166 2.4166 2.4804 2.4804 2.5357 2.5357 2.5494 2.5494 4.6467 4.6467 4.6576 4.6576 4.7424 4.7424 4.7425 4.7425 8.9150 8.9150 8.9251 8.9251 8.9791 8.9791 8.9870 8.9870 k = 0.5000 0.3271 0.1770 ( 2252 PWs) bands (ev): -6.6467 -6.6467 -6.6461 -6.6461 -6.6430 -6.6430 -6.6425 -6.6425 -1.8379 -1.8379 -1.8324 -1.8324 -1.8127 -1.8127 -1.8056 -1.8056 1.3716 1.3716 1.4284 1.4284 1.4330 1.4330 1.4373 1.4373 2.3566 2.3566 2.4158 2.4158 2.4745 2.4745 2.4867 2.4867 4.6557 4.6557 4.6659 4.6659 4.7501 4.7501 4.7504 4.7504 8.8953 8.8953 8.9053 8.9053 8.9554 8.9554 8.9629 8.9629 k = 0.5000 0.3392 0.1770 ( 2248 PWs) bands (ev): -6.6399 -6.6399 -6.6393 -6.6393 -6.6361 -6.6361 -6.6357 -6.6357 -1.8252 -1.8252 -1.8202 -1.8202 -1.7992 -1.7992 -1.7926 -1.7926 1.3441 1.3441 1.3967 1.3967 1.4033 1.4033 1.4071 1.4071 2.3012 2.3012 2.3554 2.3554 2.4178 2.4178 2.4285 2.4285 4.6646 4.6646 4.6741 4.6741 4.7578 4.7578 4.7582 4.7582 8.8749 8.8749 8.8846 8.8846 8.9317 8.9317 8.9386 8.9386 k = 0.5000 0.3513 0.1770 ( 2248 PWs) bands (ev): -6.6338 -6.6338 -6.6333 -6.6333 -6.6299 -6.6299 -6.6296 -6.6296 -1.8136 -1.8136 -1.8092 -1.8092 -1.7869 -1.7869 -1.7810 -1.7810 1.3212 1.3212 1.3690 1.3690 1.3779 1.3779 1.3812 1.3812 2.2510 2.2510 2.2999 2.2999 2.3660 2.3660 2.3753 2.3753 4.6732 4.6732 4.6817 4.6817 4.7651 4.7651 4.7657 4.7657 8.8548 8.8548 8.8638 8.8638 8.9089 8.9089 8.9151 8.9151 k = 0.5000 0.3634 0.1770 ( 2256 PWs) bands (ev): -6.6284 -6.6284 -6.6279 -6.6279 -6.6245 -6.6245 -6.6241 -6.6241 -1.8034 -1.8034 -1.7995 -1.7995 -1.7759 -1.7759 -1.7707 -1.7707 1.3026 1.3026 1.3451 1.3451 1.3565 1.3565 1.3594 1.3594 2.2064 2.2064 2.2497 2.2497 2.3197 2.3197 2.3277 2.3277 4.6811 4.6811 4.6886 4.6886 4.7719 4.7719 4.7726 4.7726 8.8361 8.8361 8.8441 8.8441 8.8879 8.8879 8.8933 8.8933 k = 0.5000 0.3755 0.1770 ( 2252 PWs) bands (ev): -6.6237 -6.6237 -6.6233 -6.6233 -6.6197 -6.6197 -6.6194 -6.6194 -1.7945 -1.7945 -1.7912 -1.7912 -1.7664 -1.7664 -1.7620 -1.7620 1.2883 1.2883 1.3250 1.3250 1.3391 1.3391 1.3415 1.3415 2.1682 2.1682 2.2053 2.2053 2.2795 2.2795 2.2861 2.2861 4.6884 4.6884 4.6948 4.6948 4.7780 4.7780 4.7787 4.7787 8.8195 8.8195 8.8264 8.8264 8.8694 8.8694 8.8740 8.8740 k = 0.5000 0.3876 0.1770 ( 2248 PWs) bands (ev): -6.6197 -6.6197 -6.6194 -6.6194 -6.6158 -6.6158 -6.6155 -6.6155 -1.7870 -1.7870 -1.7844 -1.7844 -1.7584 -1.7584 -1.7548 -1.7548 1.2780 1.2780 1.3082 1.3082 1.3254 1.3254 1.3273 1.3273 2.1369 2.1369 2.1673 2.1673 2.2460 2.2460 2.2512 2.2512 4.6946 4.6946 4.6998 4.6998 4.7833 4.7833 4.7839 4.7839 8.8055 8.8055 8.8111 8.8111 8.8538 8.8538 8.8575 8.8575 k = 0.5000 0.3997 0.1770 ( 2236 PWs) bands (ev): -6.6166 -6.6166 -6.6164 -6.6164 -6.6126 -6.6126 -6.6125 -6.6125 -1.7810 -1.7810 -1.7790 -1.7790 -1.7519 -1.7519 -1.7492 -1.7492 1.2713 1.2713 1.2945 1.2945 1.3152 1.3152 1.3166 1.3166 2.1129 2.1129 2.1362 2.1362 2.2194 2.2194 2.2234 2.2234 4.6998 4.6998 4.7037 4.7037 4.7876 4.7876 4.7881 4.7881 8.7944 8.7944 8.7987 8.7987 8.8414 8.8414 8.8443 8.8443 k = 0.5000 0.4118 0.1770 ( 2240 PWs) bands (ev): -6.6144 -6.6144 -6.6142 -6.6142 -6.6104 -6.6104 -6.6103 -6.6103 -1.7767 -1.7767 -1.7753 -1.7753 -1.7472 -1.7472 -1.7453 -1.7453 1.2679 1.2679 1.2837 1.2837 1.3080 1.3080 1.3090 1.3090 2.0966 2.0966 2.1124 2.1124 2.2004 2.2004 2.2030 2.2030 4.7037 4.7037 4.7064 4.7064 4.7907 4.7907 4.7911 4.7911 8.7864 8.7864 8.7893 8.7893 8.8325 8.8325 8.8344 8.8344 k = 0.5000 0.4240 0.1770 ( 2248 PWs) bands (ev): -6.6130 -6.6130 -6.6130 -6.6130 -6.6090 -6.6090 -6.6090 -6.6090 -1.7740 -1.7740 -1.7733 -1.7733 -1.7442 -1.7442 -1.7432 -1.7432 1.2676 1.2676 1.2756 1.2756 1.3039 1.3039 1.3044 1.3044 2.0883 2.0883 2.0963 2.0963 2.1890 2.1890 2.1904 2.1904 4.7064 4.7064 4.7077 4.7077 4.7927 4.7927 4.7928 4.7928 8.7816 8.7816 8.7831 8.7831 8.8270 8.8270 8.8280 8.8280 k = 0.5000 0.4361 0.1770 ( 2256 PWs) bands (ev): -6.6126 -6.6126 -6.6126 -6.6126 -6.6086 -6.6086 -6.6086 -6.6086 -1.7728 -1.7728 -1.7728 -1.7728 -1.7429 -1.7429 -1.7429 -1.7429 1.2702 1.2702 1.2702 1.2702 1.3027 1.3027 1.3027 1.3027 2.0883 2.0883 2.0883 2.0883 2.1857 2.1857 2.1857 2.1857 4.7077 4.7077 4.7077 4.7077 4.7934 4.7934 4.7934 4.7934 8.7805 8.7805 8.7805 8.7805 8.8255 8.8255 8.8255 8.8255 k = 0.5000 0.4361 0.1770 ( 2256 PWs) bands (ev): -6.6126 -6.6126 -6.6126 -6.6126 -6.6086 -6.6086 -6.6086 -6.6086 -1.7728 -1.7728 -1.7728 -1.7728 -1.7429 -1.7429 -1.7429 -1.7429 1.2702 1.2702 1.2702 1.2702 1.3027 1.3027 1.3027 1.3027 2.0883 2.0883 2.0883 2.0883 2.1857 2.1857 2.1857 2.1857 4.7077 4.7077 4.7077 4.7077 4.7934 4.7934 4.7934 4.7934 8.7805 8.7805 8.7805 8.7805 8.8255 8.8255 8.8255 8.8255 k = 0.4881 0.4361 0.1770 ( 2252 PWs) bands (ev): -6.6202 -6.6202 -6.6202 -6.6202 -6.6030 -6.6030 -6.6030 -6.6030 -1.7860 -1.7860 -1.7860 -1.7860 -1.7287 -1.7287 -1.7287 -1.7287 1.2635 1.2635 1.2635 1.2635 1.3055 1.3055 1.3055 1.3055 2.0916 2.0916 2.0916 2.0916 2.1957 2.1957 2.1957 2.1957 4.7057 4.7057 4.7057 4.7057 4.7936 4.7936 4.7936 4.7936 8.7752 8.7752 8.7752 8.7752 8.8358 8.8358 8.8358 8.8358 k = 0.4762 0.4361 0.1770 ( 2248 PWs) bands (ev): -6.6316 -6.6316 -6.6316 -6.6316 -6.5979 -6.5979 -6.5979 -6.5979 -1.8070 -1.8070 -1.8070 -1.8070 -1.7050 -1.7050 -1.7050 -1.7050 1.2486 1.2486 1.2486 1.2486 1.3088 1.3088 1.3088 1.3088 2.1034 2.1034 2.1034 2.1034 2.2235 2.2235 2.2235 2.2235 4.6997 4.6997 4.6997 4.6997 4.7943 4.7943 4.7943 4.7943 8.7664 8.7664 8.7664 8.7664 8.8591 8.8591 8.8591 8.8591 k = 0.4643 0.4361 0.1770 ( 2252 PWs) bands (ev): -6.6451 -6.6451 -6.6451 -6.6451 -6.5949 -6.5949 -6.5949 -6.5949 -1.8283 -1.8283 -1.8283 -1.8283 -1.6793 -1.6793 -1.6793 -1.6793 1.2313 1.2313 1.2313 1.2313 1.3086 1.3086 1.3086 1.3086 2.1260 2.1260 2.1260 2.1260 2.2650 2.2650 2.2650 2.2650 4.6903 4.6903 4.6903 4.6903 4.7950 4.7950 4.7950 4.7950 8.7598 8.7598 8.7598 8.7598 8.8895 8.8895 8.8895 8.8895 k = 0.4524 0.4361 0.1770 ( 2256 PWs) bands (ev): -6.6604 -6.6604 -6.6604 -6.6604 -6.5940 -6.5940 -6.5940 -6.5940 -1.8491 -1.8491 -1.8491 -1.8491 -1.6528 -1.6528 -1.6528 -1.6528 1.2143 1.2143 1.2143 1.2143 1.3046 1.3046 1.3046 1.3046 2.1607 2.1607 2.1607 2.1607 2.3168 2.3168 2.3168 2.3168 4.6780 4.6780 4.6780 4.6780 4.7954 4.7954 4.7954 4.7954 8.7569 8.7569 8.7569 8.7569 8.9251 8.9251 8.9251 8.9251 k = 0.4405 0.4361 0.1770 ( 2252 PWs) bands (ev): -6.6776 -6.6776 -6.6776 -6.6776 -6.5952 -6.5952 -6.5952 -6.5952 -1.8693 -1.8693 -1.8693 -1.8693 -1.6259 -1.6259 -1.6259 -1.6259 1.1993 1.1993 1.1993 1.1993 1.2978 1.2978 1.2978 1.2978 2.2070 2.2070 2.2070 2.2070 2.3763 2.3763 2.3763 2.3763 4.6635 4.6635 4.6635 4.6635 4.7955 4.7955 4.7955 4.7955 8.7580 8.7580 8.7580 8.7580 8.9657 8.9657 8.9657 8.9657 k = 0.4286 0.4361 0.1770 ( 2260 PWs) bands (ev): -6.6964 -6.6964 -6.6964 -6.6964 -6.5985 -6.5985 -6.5985 -6.5985 -1.8889 -1.8889 -1.8889 -1.8889 -1.5990 -1.5990 -1.5990 -1.5990 1.1876 1.1876 1.1876 1.1876 1.2899 1.2899 1.2899 1.2899 2.2637 2.2637 2.2637 2.2637 2.4419 2.4419 2.4419 2.4419 4.6471 4.6471 4.6471 4.6471 4.7951 4.7951 4.7951 4.7951 8.7628 8.7628 8.7628 8.7628 9.0104 9.0104 9.0104 9.0104 k = 0.4167 0.4361 0.1770 ( 2268 PWs) bands (ev): -6.7168 -6.7168 -6.7168 -6.7168 -6.6037 -6.6037 -6.6037 -6.6037 -1.9081 -1.9081 -1.9081 -1.9081 -1.5724 -1.5724 -1.5724 -1.5724 1.1802 1.1802 1.1802 1.1802 1.2828 1.2828 1.2828 1.2828 2.3293 2.3293 2.3293 2.3293 2.5120 2.5120 2.5120 2.5120 4.6294 4.6294 4.6294 4.6294 4.7944 4.7944 4.7944 4.7944 8.7714 8.7714 8.7714 8.7714 9.0592 9.0592 9.0592 9.0592 k = 0.4048 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.7386 -6.7386 -6.7386 -6.7386 -6.6109 -6.6109 -6.6109 -6.6109 -1.9271 -1.9271 -1.9271 -1.9271 -1.5466 -1.5466 -1.5466 -1.5466 1.1779 1.1779 1.1779 1.1779 1.2781 1.2781 1.2781 1.2781 2.4025 2.4025 2.4025 2.4025 2.5856 2.5856 2.5856 2.5856 4.6108 4.6108 4.6108 4.6108 4.7938 4.7938 4.7938 4.7938 8.7832 8.7832 8.7832 8.7832 9.1114 9.1114 9.1114 9.1114 k = 0.3929 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.7616 -6.7616 -6.7616 -6.7616 -6.6198 -6.6198 -6.6198 -6.6198 -1.9458 -1.9458 -1.9458 -1.9458 -1.5220 -1.5220 -1.5220 -1.5220 1.1811 1.1811 1.1811 1.1811 1.2773 1.2773 1.2773 1.2773 2.4817 2.4817 2.4817 2.4817 2.6616 2.6616 2.6616 2.6616 4.5918 4.5918 4.5918 4.5918 4.7935 4.7935 4.7935 4.7935 8.7980 8.7980 8.7980 8.7980 9.1669 9.1669 9.1669 9.1669 k = 0.3810 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.7857 -6.7857 -6.7857 -6.7857 -6.6305 -6.6305 -6.6305 -6.6305 -1.9646 -1.9646 -1.9646 -1.9646 -1.4989 -1.4989 -1.4989 -1.4989 1.1903 1.1903 1.1903 1.1903 1.2816 1.2816 1.2816 1.2816 2.5659 2.5659 2.5659 2.5659 2.7393 2.7393 2.7393 2.7393 4.5729 4.5729 4.5729 4.5729 4.7940 4.7940 4.7940 4.7940 8.8153 8.8153 8.8153 8.8153 9.2249 9.2249 9.2249 9.2249 k = 0.3690 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.8108 -6.8108 -6.8108 -6.8108 -6.6426 -6.6426 -6.6426 -6.6426 -1.9835 -1.9835 -1.9835 -1.9835 -1.4777 -1.4777 -1.4777 -1.4777 1.2058 1.2058 1.2058 1.2058 1.2922 1.2922 1.2922 1.2922 2.6539 2.6539 2.6539 2.6539 2.8178 2.8178 2.8178 2.8178 4.5545 4.5545 4.5545 4.5545 4.7959 4.7959 4.7959 4.7959 8.8346 8.8346 8.8346 8.8346 9.2850 9.2850 9.2850 9.2850 k = 0.3571 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.8367 -6.8367 -6.8367 -6.8367 -6.6562 -6.6562 -6.6562 -6.6562 -2.0027 -2.0027 -2.0027 -2.0027 -1.4588 -1.4588 -1.4588 -1.4588 1.2276 1.2276 1.2276 1.2276 1.3098 1.3098 1.3098 1.3098 2.7444 2.7444 2.7444 2.7444 2.8966 2.8966 2.8966 2.8966 4.5372 4.5372 4.5372 4.5372 4.7997 4.7997 4.7997 4.7997 8.8554 8.8554 8.8554 8.8554 9.3465 9.3465 9.3465 9.3465 k = 0.3452 0.4361 0.1770 ( 2276 PWs) bands (ev): -6.8632 -6.8632 -6.8632 -6.8632 -6.6711 -6.6711 -6.6711 -6.6711 -2.0223 -2.0223 -2.0223 -2.0223 -1.4425 -1.4425 -1.4425 -1.4425 1.2559 1.2559 1.2559 1.2559 1.3350 1.3350 1.3350 1.3350 2.8362 2.8362 2.8362 2.8362 2.9750 2.9750 2.9750 2.9750 4.5217 4.5217 4.5217 4.5217 4.8062 4.8062 4.8062 4.8062 8.8771 8.8771 8.8771 8.8771 9.4087 9.4087 9.4087 9.4087 k = 0.3333 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.8902 -6.8902 -6.8902 -6.8902 -6.6870 -6.6870 -6.6870 -6.6870 -2.0423 -2.0423 -2.0423 -2.0423 -1.4288 -1.4288 -1.4288 -1.4288 1.2909 1.2909 1.2909 1.2909 1.3683 1.3683 1.3683 1.3683 2.9278 2.9278 2.9278 2.9278 3.0528 3.0528 3.0528 3.0528 4.5089 4.5089 4.5089 4.5089 4.8161 4.8161 4.8161 4.8161 8.8993 8.8993 8.8993 8.8993 9.4704 9.4704 9.4704 9.4704 k = 0.3214 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.9175 -6.9175 -6.9175 -6.9175 -6.7040 -6.7040 -6.7040 -6.7040 -2.0627 -2.0627 -2.0627 -2.0627 -1.4181 -1.4181 -1.4181 -1.4181 1.3325 1.3325 1.3325 1.3325 1.4098 1.4098 1.4098 1.4098 3.0172 3.0172 3.0172 3.0172 3.1297 3.1297 3.1297 3.1297 4.4996 4.4996 4.4996 4.4996 4.8300 4.8300 4.8300 4.8300 8.9213 8.9213 8.9213 8.9213 9.5305 9.5305 9.5305 9.5305 k = 0.3095 0.4361 0.1770 ( 2264 PWs) bands (ev): -6.9451 -6.9451 -6.9451 -6.9451 -6.7217 -6.7217 -6.7217 -6.7217 -2.0835 -2.0835 -2.0835 -2.0835 -1.4104 -1.4104 -1.4104 -1.4104 1.3809 1.3809 1.3809 1.3809 1.4593 1.4593 1.4593 1.4593 3.1018 3.1018 3.1018 3.1018 3.2062 3.2062 3.2062 3.2062 4.4950 4.4950 4.4950 4.4950 4.8487 4.8487 4.8487 4.8487 8.9425 8.9425 8.9425 8.9425 9.5871 9.5871 9.5871 9.5871 k = 0.2976 0.4361 0.1770 ( 2272 PWs) bands (ev): -6.9726 -6.9726 -6.9726 -6.9726 -6.7401 -6.7401 -6.7401 -6.7401 -2.1048 -2.1048 -2.1048 -2.1048 -1.4056 -1.4056 -1.4056 -1.4056 1.4360 1.4360 1.4360 1.4360 1.5167 1.5167 1.5167 1.5167 3.1790 3.1790 3.1790 3.1790 3.2827 3.2827 3.2827 3.2827 4.4964 4.4964 4.4964 4.4964 4.8728 4.8728 4.8728 4.8728 8.9623 8.9623 8.9623 8.9623 9.6361 9.6361 9.6361 9.6361 k = 0.2857 0.4361 0.1770 ( 2264 PWs) bands (ev): -7.0001 -7.0001 -7.0001 -7.0001 -6.7589 -6.7589 -6.7589 -6.7589 -2.1264 -2.1264 -2.1264 -2.1264 -1.4036 -1.4036 -1.4036 -1.4036 1.4978 1.4978 1.4978 1.4978 1.5817 1.5817 1.5817 1.5817 3.2470 3.2470 3.2470 3.2470 3.3587 3.3587 3.3587 3.3587 4.5055 4.5055 4.5055 4.5055 4.9029 4.9029 4.9029 4.9029 8.9800 8.9800 8.9800 8.9800 9.6721 9.6721 9.6721 9.6721 k = 0.2738 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.0274 -7.0274 -7.0274 -7.0274 -6.7782 -6.7782 -6.7782 -6.7782 -2.1482 -2.1482 -2.1482 -2.1482 -1.4042 -1.4042 -1.4042 -1.4042 1.5662 1.5662 1.5662 1.5662 1.6538 1.6538 1.6538 1.6538 3.3055 3.3055 3.3055 3.3055 3.4321 3.4321 3.4321 3.4321 4.5238 4.5238 4.5238 4.5238 4.9392 4.9392 4.9392 4.9392 8.9947 8.9947 8.9947 8.9947 9.6838 9.6838 9.6838 9.6838 k = 0.2619 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.0544 -7.0544 -7.0544 -7.0544 -6.7976 -6.7976 -6.7976 -6.7976 -2.1703 -2.1703 -2.1703 -2.1703 -1.4073 -1.4073 -1.4073 -1.4073 1.6409 1.6409 1.6409 1.6409 1.7328 1.7328 1.7328 1.7328 3.3552 3.3552 3.3552 3.3552 3.5002 3.5002 3.5002 3.5002 4.5531 4.5531 4.5531 4.5531 4.9818 4.9818 4.9818 4.9818 9.0054 9.0054 9.0054 9.0054 9.6574 9.6574 9.6574 9.6574 k = 0.2500 0.4361 0.1770 ( 2272 PWs) bands (ev): -7.0809 -7.0809 -7.0809 -7.0809 -6.8171 -6.8171 -6.8171 -6.8171 -2.1924 -2.1924 -2.1924 -2.1924 -1.4126 -1.4126 -1.4126 -1.4126 1.7215 1.7215 1.7215 1.7215 1.8181 1.8181 1.8181 1.8181 3.3969 3.3969 3.3969 3.3969 3.5606 3.5606 3.5606 3.5606 4.5946 4.5946 4.5946 4.5946 5.0307 5.0307 5.0307 5.0307 9.0105 9.0105 9.0105 9.0105 9.5881 9.5881 9.5881 9.5881 k = 0.2381 0.4361 0.1770 ( 2272 PWs) bands (ev): -7.1068 -7.1068 -7.1068 -7.1068 -6.8365 -6.8365 -6.8365 -6.8365 -2.2144 -2.2144 -2.2144 -2.2144 -1.4197 -1.4197 -1.4197 -1.4197 1.8076 1.8076 1.8076 1.8076 1.9094 1.9094 1.9094 1.9094 3.4313 3.4313 3.4313 3.4313 3.6120 3.6120 3.6120 3.6120 4.6490 4.6490 4.6490 4.6490 5.0852 5.0852 5.0852 5.0852 9.0077 9.0077 9.0077 9.0077 9.4878 9.4878 9.4878 9.4878 k = 0.2262 0.4361 0.1770 ( 2272 PWs) bands (ev): -7.1321 -7.1321 -7.1321 -7.1321 -6.8558 -6.8558 -6.8558 -6.8558 -2.2362 -2.2362 -2.2362 -2.2362 -1.4285 -1.4285 -1.4285 -1.4285 1.8985 1.8985 1.8985 1.8985 2.0063 2.0063 2.0063 2.0063 3.4593 3.4593 3.4593 3.4593 3.6541 3.6541 3.6541 3.6541 4.7159 4.7159 4.7159 4.7159 5.1447 5.1447 5.1447 5.1447 8.9934 8.9934 8.9934 8.9934 9.3696 9.3696 9.3696 9.3696 k = 0.2143 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.1566 -7.1566 -7.1566 -7.1566 -6.8747 -6.8747 -6.8747 -6.8747 -2.2578 -2.2578 -2.2578 -2.2578 -1.4385 -1.4385 -1.4385 -1.4385 1.9935 1.9935 1.9935 1.9935 2.1081 2.1081 2.1081 2.1081 3.4816 3.4816 3.4816 3.4816 3.6880 3.6880 3.6880 3.6880 4.7941 4.7941 4.7941 4.7941 5.2082 5.2082 5.2082 5.2082 8.9632 8.9632 8.9632 8.9632 9.2417 9.2417 9.2417 9.2417 k = 0.2024 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.1803 -7.1803 -7.1803 -7.1803 -6.8933 -6.8933 -6.8933 -6.8933 -2.2789 -2.2789 -2.2789 -2.2789 -1.4496 -1.4496 -1.4496 -1.4496 2.0918 2.0918 2.0918 2.0918 2.2145 2.2145 2.2145 2.2145 3.4989 3.4989 3.4989 3.4989 3.7150 3.7150 3.7150 3.7150 4.8815 4.8815 4.8815 4.8815 5.2745 5.2745 5.2745 5.2745 8.9118 8.9118 8.9118 8.9118 9.1085 9.1085 9.1085 9.1085 k = 0.1905 0.4361 0.1770 ( 2272 PWs) bands (ev): -7.2030 -7.2030 -7.2030 -7.2030 -6.9113 -6.9113 -6.9113 -6.9113 -2.2995 -2.2995 -2.2995 -2.2995 -1.4614 -1.4614 -1.4614 -1.4614 2.1926 2.1926 2.1926 2.1926 2.3251 2.3251 2.3251 2.3251 3.5121 3.5121 3.5121 3.5121 3.7371 3.7371 3.7371 3.7371 4.9760 4.9760 4.9760 4.9760 5.3423 5.3423 5.3423 5.3423 8.8370 8.8370 8.8370 8.8370 8.9729 8.9729 8.9729 8.9729 k = 0.1786 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.2247 -7.2247 -7.2247 -7.2247 -6.9286 -6.9286 -6.9286 -6.9286 -2.3193 -2.3193 -2.3193 -2.3193 -1.4736 -1.4736 -1.4736 -1.4736 2.2948 2.2948 2.2948 2.2948 2.4392 2.4392 2.4392 2.4392 3.5220 3.5220 3.5220 3.5220 3.7564 3.7564 3.7564 3.7564 5.0750 5.0750 5.0750 5.0750 5.4102 5.4102 5.4102 5.4102 8.7414 8.7414 8.7414 8.7414 8.8371 8.8371 8.8371 8.8371 k = 0.1667 0.4361 0.1770 ( 2260 PWs) bands (ev): -7.2453 -7.2453 -7.2453 -7.2453 -6.9453 -6.9453 -6.9453 -6.9453 -2.3384 -2.3384 -2.3384 -2.3384 -1.4861 -1.4861 -1.4861 -1.4861 2.3972 2.3972 2.3972 2.3972 2.5562 2.5562 2.5562 2.5562 3.5294 3.5294 3.5294 3.5294 3.7748 3.7748 3.7748 3.7748 5.1761 5.1761 5.1761 5.1761 5.4767 5.4767 5.4767 5.4767 8.6312 8.6312 8.6312 8.6312 8.7030 8.7030 8.7030 8.7030 k = 0.1548 0.4361 0.1770 ( 2264 PWs) bands (ev): -7.2648 -7.2648 -7.2648 -7.2648 -6.9612 -6.9612 -6.9612 -6.9612 -2.3567 -2.3567 -2.3567 -2.3567 -1.4985 -1.4985 -1.4985 -1.4985 2.4984 2.4984 2.4984 2.4984 2.6751 2.6751 2.6751 2.6751 3.5352 3.5352 3.5352 3.5352 3.7941 3.7941 3.7941 3.7941 5.2768 5.2768 5.2768 5.2768 5.5401 5.5401 5.5401 5.5401 8.5126 8.5126 8.5126 8.5126 8.5729 8.5729 8.5729 8.5729 k = 0.1429 0.4361 0.1770 ( 2264 PWs) bands (ev): -7.2830 -7.2830 -7.2830 -7.2830 -6.9761 -6.9761 -6.9761 -6.9761 -2.3739 -2.3739 -2.3739 -2.3739 -1.5108 -1.5108 -1.5108 -1.5108 2.5969 2.5969 2.5969 2.5969 2.7950 2.7950 2.7950 2.7950 3.5402 3.5402 3.5402 3.5402 3.8161 3.8161 3.8161 3.8161 5.3744 5.3744 5.3744 5.3744 5.5989 5.5989 5.5989 5.5989 8.3914 8.3914 8.3914 8.3914 8.4492 8.4492 8.4492 8.4492 k = 0.1310 0.4361 0.1770 ( 2264 PWs) bands (ev): -7.3000 -7.3000 -7.3000 -7.3000 -6.9902 -6.9902 -6.9902 -6.9902 -2.3901 -2.3901 -2.3901 -2.3901 -1.5227 -1.5227 -1.5227 -1.5227 2.6909 2.6909 2.6909 2.6909 2.9145 2.9145 2.9145 2.9145 3.5457 3.5457 3.5457 3.5457 3.8424 3.8424 3.8424 3.8424 5.4660 5.4660 5.4660 5.4660 5.6518 5.6518 5.6518 5.6518 8.2715 8.2715 8.2715 8.2715 8.3347 8.3347 8.3347 8.3347 k = 0.1190 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.3157 -7.3157 -7.3157 -7.3157 -7.0032 -7.0032 -7.0032 -7.0032 -2.4052 -2.4052 -2.4052 -2.4052 -1.5340 -1.5340 -1.5340 -1.5340 2.7785 2.7785 2.7785 2.7785 3.0314 3.0314 3.0314 3.0314 3.5533 3.5533 3.5533 3.5533 3.8744 3.8744 3.8744 3.8744 5.5481 5.5481 5.5481 5.5481 5.6972 5.6972 5.6972 5.6972 8.1567 8.1567 8.1567 8.1567 8.2323 8.2323 8.2323 8.2323 k = 0.1071 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.3300 -7.3300 -7.3300 -7.3300 -7.0152 -7.0152 -7.0152 -7.0152 -2.4190 -2.4190 -2.4190 -2.4190 -1.5447 -1.5447 -1.5447 -1.5447 2.8581 2.8581 2.8581 2.8581 3.1424 3.1424 3.1424 3.1424 3.5658 3.5658 3.5658 3.5658 3.9133 3.9133 3.9133 3.9133 5.6166 5.6166 5.6166 5.6166 5.7350 5.7350 5.7350 5.7350 8.0501 8.0501 8.0501 8.0501 8.1452 8.1452 8.1452 8.1452 k = 0.0952 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.3430 -7.3430 -7.3430 -7.3430 -7.0260 -7.0260 -7.0260 -7.0260 -2.4316 -2.4316 -2.4316 -2.4316 -1.5546 -1.5546 -1.5546 -1.5546 2.9281 2.9281 2.9281 2.9281 3.2415 3.2415 3.2415 3.2415 3.5880 3.5880 3.5880 3.5880 3.9594 3.9594 3.9594 3.9594 5.6666 5.6666 5.6666 5.6666 5.7658 5.7658 5.7658 5.7658 7.9541 7.9541 7.9541 7.9541 8.0772 8.0772 8.0772 8.0772 k = 0.0833 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.3544 -7.3544 -7.3544 -7.3544 -7.0357 -7.0357 -7.0357 -7.0357 -2.4427 -2.4427 -2.4427 -2.4427 -1.5635 -1.5635 -1.5635 -1.5635 2.9878 2.9878 2.9878 2.9878 3.3207 3.3207 3.3207 3.3207 3.6270 3.6270 3.6270 3.6270 4.0124 4.0124 4.0124 4.0124 5.6948 5.6948 5.6948 5.6948 5.7902 5.7902 5.7902 5.7902 7.8707 7.8707 7.8707 7.8707 8.0314 8.0314 8.0314 8.0314 k = 0.0714 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.3644 -7.3644 -7.3644 -7.3644 -7.0441 -7.0441 -7.0441 -7.0441 -2.4525 -2.4525 -2.4525 -2.4525 -1.5714 -1.5714 -1.5714 -1.5714 3.0369 3.0369 3.0369 3.0369 3.3737 3.3737 3.3737 3.3737 3.6868 3.6868 3.6868 3.6868 4.0706 4.0706 4.0706 4.0706 5.7023 5.7023 5.7023 5.7023 5.8063 5.8063 5.8063 5.8063 7.8007 7.8007 7.8007 7.8007 8.0101 8.0101 8.0101 8.0101 k = 0.0595 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.3730 -7.3730 -7.3730 -7.3730 -7.0514 -7.0514 -7.0514 -7.0514 -2.4609 -2.4609 -2.4609 -2.4609 -1.5782 -1.5782 -1.5782 -1.5782 3.0759 3.0759 3.0759 3.0759 3.4041 3.4041 3.4041 3.4041 3.7618 3.7618 3.7618 3.7618 4.1311 4.1311 4.1311 4.1311 5.6939 5.6939 5.6939 5.6939 5.8115 5.8115 5.8115 5.8115 7.7445 7.7445 7.7445 7.7445 8.0142 8.0142 8.0142 8.0142 k = 0.0476 0.4361 0.1770 ( 2280 PWs) bands (ev): -7.3800 -7.3800 -7.3800 -7.3800 -7.0573 -7.0573 -7.0573 -7.0573 -2.4678 -2.4678 -2.4678 -2.4678 -1.5839 -1.5839 -1.5839 -1.5839 3.1057 3.1057 3.1057 3.1057 3.4205 3.4205 3.4205 3.4205 3.8404 3.8404 3.8404 3.8404 4.1902 4.1902 4.1902 4.1902 5.6753 5.6753 5.6753 5.6753 5.8059 5.8059 5.8059 5.8059 7.7012 7.7012 7.7012 7.7012 8.0431 8.0431 8.0431 8.0431 k = 0.0357 0.4361 0.1770 ( 2280 PWs) bands (ev): -7.3854 -7.3854 -7.3854 -7.3854 -7.0620 -7.0620 -7.0620 -7.0620 -2.4732 -2.4732 -2.4732 -2.4732 -1.5883 -1.5883 -1.5883 -1.5883 3.1276 3.1276 3.1276 3.1276 3.4293 3.4293 3.4293 3.4293 3.9124 3.9124 3.9124 3.9124 4.2434 4.2434 4.2434 4.2434 5.6523 5.6523 5.6523 5.6523 5.7930 5.7930 5.7930 5.7930 7.6700 7.6700 7.6700 7.6700 8.0944 8.0944 8.0944 8.0944 k = 0.0238 0.4361 0.1770 ( 2280 PWs) bands (ev): -7.3893 -7.3893 -7.3893 -7.3893 -7.0653 -7.0653 -7.0653 -7.0653 -2.4771 -2.4771 -2.4771 -2.4771 -1.5915 -1.5915 -1.5915 -1.5915 3.1424 3.1424 3.1424 3.1424 3.4340 3.4340 3.4340 3.4340 3.9701 3.9701 3.9701 3.9701 4.2859 4.2859 4.2859 4.2859 5.6305 5.6305 5.6305 5.6305 5.7777 5.7777 5.7777 5.7777 7.6492 7.6492 7.6492 7.6492 8.1640 8.1640 8.1640 8.1640 k = 0.0119 0.4361 0.1770 ( 2268 PWs) bands (ev): -7.3917 -7.3917 -7.3917 -7.3917 -7.0673 -7.0673 -7.0673 -7.0673 -2.4794 -2.4794 -2.4794 -2.4794 -1.5935 -1.5935 -1.5935 -1.5935 3.1510 3.1510 3.1510 3.1510 3.4363 3.4363 3.4363 3.4363 4.0076 4.0076 4.0076 4.0076 4.3135 4.3135 4.3135 4.3135 5.6149 5.6149 5.6149 5.6149 5.7658 5.7658 5.7658 5.7658 7.6375 7.6375 7.6375 7.6375 8.2448 8.2448 8.2448 8.2448 k = 0.0000 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.3925 -7.3925 -7.3925 -7.3925 -7.0680 -7.0680 -7.0680 -7.0680 -2.4802 -2.4802 -2.4802 -2.4802 -1.5941 -1.5941 -1.5941 -1.5941 3.1537 3.1537 3.1537 3.1537 3.4370 3.4370 3.4370 3.4370 4.0205 4.0205 4.0205 4.0205 4.3231 4.3231 4.3231 4.3231 5.6093 5.6093 5.6093 5.6093 5.7613 5.7613 5.7613 5.7613 7.6336 7.6336 7.6336 7.6336 8.3000 8.3000 8.3000 8.3000 k = 0.0000 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.3925 -7.3925 -7.3925 -7.3925 -7.0680 -7.0680 -7.0680 -7.0680 -2.4802 -2.4802 -2.4802 -2.4802 -1.5941 -1.5941 -1.5941 -1.5941 3.1537 3.1537 3.1537 3.1537 3.4370 3.4370 3.4370 3.4370 4.0205 4.0205 4.0205 4.0205 4.3231 4.3231 4.3231 4.3231 5.6093 5.6093 5.6093 5.6093 5.7613 5.7613 5.7613 5.7613 7.6336 7.6336 7.6336 7.6336 8.3000 8.3000 8.3000 8.3000 k = 0.0000 0.4240 0.1770 ( 2272 PWs) bands (ev): -7.3978 -7.3978 -7.3978 -7.3978 -7.0632 -7.0632 -7.0632 -7.0632 -2.4806 -2.4806 -2.4806 -2.4806 -1.5896 -1.5896 -1.5896 -1.5896 3.1373 3.1373 3.1373 3.1373 3.4532 3.4532 3.4532 3.4532 4.0136 4.0136 4.0136 4.0136 4.3288 4.3288 4.3288 4.3288 5.5726 5.5726 5.5726 5.5726 5.7951 5.7951 5.7951 5.7951 7.6287 7.6287 7.6288 7.6288 8.3068 8.3068 8.3068 8.3068 k = 0.0000 0.4118 0.1770 ( 2264 PWs) bands (ev): -7.4128 -7.4128 -7.4128 -7.4128 -7.0499 -7.0499 -7.0499 -7.0499 -2.4816 -2.4816 -2.4816 -2.4816 -1.5762 -1.5762 -1.5762 -1.5762 3.0961 3.0961 3.0961 3.0961 3.4936 3.4936 3.4936 3.4936 3.9944 3.9944 3.9944 3.9944 4.3446 4.3446 4.3446 4.3446 5.5013 5.5013 5.5013 5.5013 5.8576 5.8576 5.8576 5.8576 7.6154 7.6154 7.6154 7.6154 8.3261 8.3261 8.3261 8.3261 k = 0.0000 0.3997 0.1770 ( 2262 PWs) bands (ev): -7.4355 -7.4355 -7.4355 -7.4355 -7.0302 -7.0302 -7.0302 -7.0302 -2.4829 -2.4829 -2.4829 -2.4829 -1.5541 -1.5541 -1.5541 -1.5541 3.0421 3.0421 3.0421 3.0421 3.5458 3.5458 3.5458 3.5458 3.9661 3.9661 3.9661 3.9661 4.3672 4.3672 4.3672 4.3672 5.4216 5.4216 5.4216 5.4216 5.9218 5.9218 5.9218 5.9218 7.5966 7.5966 7.5966 7.5966 8.3547 8.3547 8.3547 8.3547 k = 0.0000 0.3876 0.1770 ( 2278 PWs) bands (ev): -7.4637 -7.4637 -7.4637 -7.4637 -7.0062 -7.0062 -7.0062 -7.0062 -2.4843 -2.4843 -2.4843 -2.4843 -1.5240 -1.5240 -1.5240 -1.5240 2.9823 2.9823 2.9823 2.9823 3.6023 3.6023 3.6023 3.6023 3.9320 3.9320 3.9320 3.9320 4.3935 4.3935 4.3935 4.3935 5.3398 5.3398 5.3398 5.3398 5.9805 5.9805 5.9805 5.9805 7.5766 7.5766 7.5766 7.5766 8.3881 8.3881 8.3881 8.3881 k = 0.0000 0.3755 0.1770 ( 2282 PWs) bands (ev): -7.4955 -7.4955 -7.4955 -7.4955 -6.9797 -6.9797 -6.9797 -6.9797 -2.4850 -2.4850 -2.4850 -2.4850 -1.4863 -1.4863 -1.4863 -1.4863 2.9200 2.9200 2.9200 2.9200 3.6588 3.6588 3.6588 3.6588 3.8950 3.8950 3.8950 3.8950 4.4213 4.4213 4.4213 4.4213 5.2586 5.2586 5.2586 5.2586 6.0303 6.0303 6.0303 6.0303 7.5598 7.5598 7.5598 7.5598 8.4203 8.4203 8.4203 8.4203 k = 0.0000 0.3634 0.1770 ( 2280 PWs) bands (ev): -7.5296 -7.5296 -7.5296 -7.5296 -6.9519 -6.9519 -6.9519 -6.9519 -2.4847 -2.4847 -2.4847 -2.4847 -1.4417 -1.4417 -1.4417 -1.4417 2.8566 2.8566 2.8566 2.8566 3.7111 3.7111 3.7111 3.7111 3.8582 3.8582 3.8582 3.8582 4.4493 4.4493 4.4493 4.4493 5.1797 5.1797 5.1797 5.1797 6.0684 6.0684 6.0684 6.0684 7.5500 7.5500 7.5500 7.5500 8.4472 8.4472 8.4472 8.4472 k = 0.0000 0.3513 0.1770 ( 2264 PWs) bands (ev): -7.5653 -7.5653 -7.5653 -7.5653 -6.9238 -6.9238 -6.9238 -6.9238 -2.4827 -2.4827 -2.4827 -2.4827 -1.3906 -1.3906 -1.3906 -1.3906 2.7930 2.7930 2.7930 2.7930 3.7477 3.7477 3.7477 3.7477 3.8323 3.8323 3.8323 3.8323 4.4764 4.4764 4.4764 4.4764 5.1048 5.1048 5.1048 5.1048 6.0927 6.0927 6.0927 6.0927 7.5506 7.5506 7.5506 7.5506 8.4710 8.4710 8.4710 8.4710 k = 0.0000 0.3392 0.1770 ( 2264 PWs) bands (ev): -7.6019 -7.6019 -7.6019 -7.6019 -6.8960 -6.8960 -6.8960 -6.8960 -2.4787 -2.4787 -2.4787 -2.4787 -1.3340 -1.3340 -1.3340 -1.3340 2.7297 2.7297 2.7297 2.7297 3.7398 3.7398 3.7398 3.7398 3.8447 3.8447 3.8447 3.8447 4.5016 4.5016 4.5016 4.5016 5.0357 5.0357 5.0357 5.0357 6.1017 6.1017 6.1017 6.1017 7.5636 7.5636 7.5636 7.5636 8.4954 8.4954 8.4954 8.4954 k = 0.0000 0.3271 0.1770 ( 2260 PWs) bands (ev): -7.6388 -7.6388 -7.6388 -7.6388 -6.8688 -6.8688 -6.8688 -6.8688 -2.4722 -2.4722 -2.4722 -2.4722 -1.2722 -1.2722 -1.2722 -1.2722 2.6670 2.6670 2.6670 2.6670 3.7041 3.7041 3.7041 3.7041 3.8769 3.8769 3.8769 3.8769 4.5244 4.5244 4.5244 4.5244 4.9748 4.9748 4.9748 4.9748 6.0952 6.0952 6.0952 6.0952 7.5901 7.5901 7.5901 7.5901 8.5225 8.5225 8.5225 8.5225 k = 0.0000 0.3149 0.1770 ( 2256 PWs) bands (ev): -7.6759 -7.6759 -7.6759 -7.6759 -6.8427 -6.8427 -6.8427 -6.8427 -2.4630 -2.4630 -2.4630 -2.4630 -1.2058 -1.2058 -1.2058 -1.2058 2.6050 2.6050 2.6050 2.6050 3.6625 3.6625 3.6625 3.6625 3.9051 3.9051 3.9051 3.9051 4.5439 4.5439 4.5439 4.5439 4.9248 4.9248 4.9248 4.9248 6.0738 6.0738 6.0738 6.0738 7.6296 7.6296 7.6296 7.6296 8.5530 8.5530 8.5530 8.5530 k = 0.0000 0.3028 0.1770 ( 2248 PWs) bands (ev): -7.7127 -7.7127 -7.7127 -7.7127 -6.8178 -6.8178 -6.8178 -6.8178 -2.4508 -2.4508 -2.4508 -2.4508 -1.1353 -1.1353 -1.1353 -1.1353 2.5440 2.5440 2.5440 2.5440 3.6195 3.6195 3.6195 3.6195 3.9226 3.9226 3.9226 3.9226 4.5597 4.5597 4.5597 4.5597 4.8883 4.8883 4.8883 4.8883 6.0395 6.0395 6.0395 6.0395 7.6811 7.6811 7.6811 7.6811 8.5873 8.5873 8.5873 8.5873 k = 0.0000 0.2907 0.1770 ( 2254 PWs) bands (ev): -7.7491 -7.7491 -7.7491 -7.7491 -6.7942 -6.7942 -6.7942 -6.7942 -2.4355 -2.4355 -2.4355 -2.4355 -1.0611 -1.0611 -1.0611 -1.0611 2.4841 2.4841 2.4841 2.4841 3.5763 3.5763 3.5763 3.5763 3.9262 3.9262 3.9262 3.9262 4.5711 4.5711 4.5711 4.5711 4.8673 4.8673 4.8673 4.8673 5.9942 5.9942 5.9942 5.9942 7.7424 7.7424 7.7424 7.7424 8.6245 8.6245 8.6245 8.6245 k = 0.0000 0.2786 0.1770 ( 2254 PWs) bands (ev): -7.7849 -7.7849 -7.7849 -7.7849 -6.7722 -6.7722 -6.7722 -6.7722 -2.4170 -2.4170 -2.4170 -2.4170 -0.9837 -0.9837 -0.9837 -0.9837 2.4252 2.4252 2.4252 2.4252 3.5334 3.5334 3.5334 3.5334 3.9149 3.9149 3.9149 3.9149 4.5791 4.5791 4.5791 4.5791 4.8617 4.8617 4.8617 4.8617 5.9407 5.9407 5.9407 5.9407 7.8114 7.8114 7.8114 7.8114 8.6639 8.6639 8.6640 8.6640 k = 0.0000 0.2665 0.1770 ( 2256 PWs) bands (ev): -7.8200 -7.8200 -7.8200 -7.8200 -6.7516 -6.7516 -6.7516 -6.7516 -2.3952 -2.3952 -2.3952 -2.3952 -0.9033 -0.9033 -0.9033 -0.9033 2.3674 2.3674 2.3674 2.3674 3.4910 3.4910 3.4910 3.4910 3.8892 3.8892 3.8892 3.8892 4.5846 4.5846 4.5846 4.5846 4.8688 4.8688 4.8688 4.8688 5.8814 5.8814 5.8814 5.8814 7.8861 7.8861 7.8861 7.8861 8.7030 8.7030 8.7030 8.7030 k = 0.0000 0.2544 0.1770 ( 2268 PWs) bands (ev): -7.8541 -7.8541 -7.8541 -7.8541 -6.7327 -6.7327 -6.7327 -6.7327 -2.3704 -2.3704 -2.3704 -2.3704 -0.8204 -0.8204 -0.8204 -0.8204 2.3107 2.3107 2.3107 2.3107 3.4494 3.4494 3.4494 3.4494 3.8509 3.8509 3.8509 3.8509 4.5886 4.5886 4.5886 4.5886 4.8847 4.8847 4.8847 4.8847 5.8191 5.8191 5.8191 5.8191 7.9643 7.9643 7.9643 7.9643 8.7373 8.7373 8.7373 8.7373 k = 0.0000 0.2423 0.1770 ( 2270 PWs) bands (ev): -7.8873 -7.8873 -7.8873 -7.8873 -6.7154 -6.7154 -6.7154 -6.7154 -2.3424 -2.3424 -2.3424 -2.3424 -0.7354 -0.7354 -0.7354 -0.7354 2.2551 2.2551 2.2551 2.2551 3.4088 3.4088 3.4088 3.4088 3.8031 3.8031 3.8031 3.8031 4.5917 4.5917 4.5917 4.5917 4.9050 4.9050 4.9050 4.9050 5.7567 5.7567 5.7567 5.7567 8.0442 8.0442 8.0442 8.0442 8.7635 8.7635 8.7635 8.7635 k = 0.0000 0.2301 0.1770 ( 2270 PWs) bands (ev): -7.9193 -7.9193 -7.9193 -7.9193 -6.6996 -6.6996 -6.6996 -6.6996 -2.3117 -2.3117 -2.3117 -2.3117 -0.6485 -0.6485 -0.6485 -0.6485 2.2006 2.2006 2.2006 2.2006 3.3692 3.3692 3.3692 3.3692 3.7483 3.7483 3.7483 3.7483 4.5938 4.5938 4.5938 4.5938 4.9250 4.9250 4.9250 4.9250 5.6975 5.6975 5.6975 5.6975 8.1239 8.1239 8.1239 8.1239 8.7821 8.7821 8.7821 8.7821 k = 0.0000 0.2180 0.1770 ( 2274 PWs) bands (ev): -7.9502 -7.9502 -7.9502 -7.9502 -6.6854 -6.6854 -6.6854 -6.6854 -2.2783 -2.2783 -2.2783 -2.2783 -0.5603 -0.5603 -0.5603 -0.5603 2.1473 2.1473 2.1473 2.1473 3.3308 3.3308 3.3308 3.3308 3.6893 3.6893 3.6893 3.6893 4.5944 4.5944 4.5944 4.5944 4.9398 4.9398 4.9398 4.9398 5.6453 5.6453 5.6453 5.6453 8.2015 8.2015 8.2015 8.2015 8.7956 8.7956 8.7956 8.7956 k = 0.0000 0.2059 0.1770 ( 2276 PWs) bands (ev): -7.9798 -7.9798 -7.9798 -7.9798 -6.6726 -6.6726 -6.6726 -6.6726 -2.2425 -2.2425 -2.2425 -2.2425 -0.4710 -0.4710 -0.4710 -0.4710 2.0949 2.0949 2.0949 2.0949 3.2934 3.2934 3.2934 3.2934 3.6279 3.6279 3.6279 3.6279 4.5934 4.5934 4.5934 4.5934 4.9447 4.9447 4.9447 4.9447 5.6044 5.6044 5.6044 5.6044 8.2751 8.2751 8.2751 8.2751 8.8064 8.8064 8.8064 8.8064 k = 0.0000 0.1938 0.1770 ( 2278 PWs) bands (ev): -8.0080 -8.0080 -8.0080 -8.0080 -6.6613 -6.6613 -6.6613 -6.6613 -2.2047 -2.2047 -2.2047 -2.2047 -0.3809 -0.3809 -0.3809 -0.3809 2.0436 2.0436 2.0436 2.0436 3.2571 3.2571 3.2571 3.2571 3.5659 3.5659 3.5659 3.5659 4.5902 4.5902 4.5902 4.5902 4.9359 4.9359 4.9359 4.9359 5.5784 5.5784 5.5784 5.5784 8.3425 8.3425 8.3425 8.3425 8.8163 8.8163 8.8163 8.8163 k = 0.0000 0.1817 0.1770 ( 2282 PWs) bands (ev): -8.0348 -8.0348 -8.0348 -8.0348 -6.6513 -6.6513 -6.6513 -6.6513 -2.1653 -2.1653 -2.1653 -2.1653 -0.2907 -0.2907 -0.2907 -0.2907 1.9932 1.9932 1.9932 1.9932 3.2219 3.2219 3.2219 3.2219 3.5047 3.5047 3.5047 3.5047 4.5844 4.5844 4.5844 4.5844 4.9122 4.9122 4.9122 4.9122 5.5687 5.5687 5.5687 5.5687 8.4019 8.4019 8.4019 8.4019 8.8265 8.8265 8.8265 8.8265 k = 0.0000 0.1696 0.1770 ( 2278 PWs) bands (ev): -8.0601 -8.0601 -8.0601 -8.0601 -6.6425 -6.6425 -6.6425 -6.6425 -2.1246 -2.1246 -2.1246 -2.1246 -0.2005 -0.2005 -0.2005 -0.2005 1.9437 1.9437 1.9437 1.9437 3.1878 3.1878 3.1878 3.1878 3.4455 3.4455 3.4455 3.4455 4.5751 4.5751 4.5751 4.5751 4.8757 4.8757 4.8757 4.8757 5.5741 5.5741 5.5741 5.5741 8.4517 8.4517 8.4517 8.4517 8.8373 8.8373 8.8373 8.8373 k = 0.0000 0.1575 0.1770 ( 2278 PWs) bands (ev): -8.0839 -8.0839 -8.0839 -8.0839 -6.6349 -6.6349 -6.6349 -6.6349 -2.0831 -2.0831 -2.0831 -2.0831 -0.1110 -0.1110 -0.1110 -0.1110 1.8951 1.8951 1.8951 1.8951 3.1545 3.1545 3.1545 3.1545 3.3894 3.3894 3.3894 3.3894 4.5610 4.5610 4.5610 4.5610 4.8311 4.8311 4.8311 4.8311 5.5912 5.5912 5.5912 5.5912 8.4913 8.4913 8.4913 8.4913 8.8476 8.8476 8.8476 8.8476 k = 0.0000 0.1454 0.1770 ( 2278 PWs) bands (ev): -8.1061 -8.1061 -8.1061 -8.1061 -6.6283 -6.6283 -6.6283 -6.6283 -2.0414 -2.0414 -2.0414 -2.0414 -0.0226 -0.0226 -0.0226 -0.0226 1.8474 1.8474 1.8474 1.8474 3.1221 3.1221 3.1221 3.1221 3.3372 3.3372 3.3372 3.3372 4.5399 4.5399 4.5399 4.5399 4.7847 4.7847 4.7847 4.7847 5.6160 5.6160 5.6160 5.6160 8.5209 8.5209 8.5209 8.5209 8.8561 8.8561 8.8561 8.8561 k = 0.0000 0.1332 0.1770 ( 2280 PWs) bands (ev): -8.1267 -8.1267 -8.1267 -8.1267 -6.6227 -6.6227 -6.6227 -6.6227 -1.9999 -1.9999 -1.9999 -1.9999 0.0641 0.0641 0.0641 0.0641 1.8007 1.8007 1.8007 1.8007 3.0905 3.0905 3.0905 3.0905 3.2895 3.2895 3.2895 3.2895 4.5095 4.5095 4.5095 4.5095 4.7426 4.7426 4.7426 4.7426 5.6454 5.6454 5.6454 5.6454 8.5420 8.5420 8.5420 8.5420 8.8609 8.8609 8.8609 8.8609 k = 0.0000 0.1211 0.1770 ( 2286 PWs) bands (ev): -8.1456 -8.1456 -8.1456 -8.1456 -6.6179 -6.6179 -6.6179 -6.6179 -1.9592 -1.9592 -1.9592 -1.9592 0.1487 0.1487 0.1487 0.1487 1.7549 1.7549 1.7549 1.7549 3.0596 3.0596 3.0596 3.0596 3.2471 3.2471 3.2471 3.2471 4.4685 4.4685 4.4685 4.4685 4.7088 4.7088 4.7088 4.7088 5.6769 5.6769 5.6769 5.6769 8.5567 8.5567 8.5567 8.5567 8.8606 8.8606 8.8606 8.8606 k = 0.0000 0.1090 0.1770 ( 2286 PWs) bands (ev): -8.1628 -8.1628 -8.1628 -8.1628 -6.6139 -6.6139 -6.6139 -6.6139 -1.9199 -1.9199 -1.9199 -1.9199 0.2303 0.2303 0.2303 0.2303 1.7103 1.7103 1.7103 1.7103 3.0298 3.0298 3.0298 3.0298 3.2101 3.2101 3.2101 3.2101 4.4186 4.4186 4.4186 4.4186 4.6841 4.6841 4.6841 4.6841 5.7086 5.7086 5.7086 5.7086 8.5666 8.5666 8.5666 8.5666 8.8552 8.8552 8.8552 8.8552 k = 0.0000 0.0969 0.1770 ( 2282 PWs) bands (ev): -8.1783 -8.1783 -8.1783 -8.1783 -6.6106 -6.6106 -6.6106 -6.6106 -1.8826 -1.8826 -1.8826 -1.8826 0.3083 0.3083 0.3083 0.3083 1.6672 1.6672 1.6672 1.6672 3.0015 3.0015 3.0015 3.0015 3.1783 3.1783 3.1783 3.1783 4.3638 4.3638 4.3638 4.3638 4.6665 4.6665 4.6665 4.6665 5.7393 5.7393 5.7393 5.7393 8.5732 8.5732 8.5732 8.5732 8.8454 8.8454 8.8454 8.8454 k = 0.0000 0.0848 0.1770 ( 2298 PWs) bands (ev): -8.1920 -8.1920 -8.1920 -8.1920 -6.6078 -6.6078 -6.6078 -6.6078 -1.8479 -1.8479 -1.8479 -1.8479 0.3817 0.3817 0.3817 0.3817 1.6257 1.6257 1.6257 1.6257 2.9752 2.9752 2.9752 2.9752 3.1516 3.1516 3.1516 3.1516 4.3079 4.3079 4.3079 4.3079 4.6537 4.6537 4.6537 4.6537 5.7680 5.7680 5.7680 5.7680 8.5776 8.5776 8.5776 8.5776 8.8323 8.8323 8.8323 8.8323 k = 0.0000 0.0727 0.1770 ( 2300 PWs) bands (ev): -8.2039 -8.2039 -8.2039 -8.2039 -6.6056 -6.6056 -6.6056 -6.6056 -1.8163 -1.8163 -1.8163 -1.8163 0.4498 0.4498 0.4498 0.4498 1.5866 1.5866 1.5866 1.5866 2.9515 2.9515 2.9515 2.9515 3.1295 3.1295 3.1295 3.1295 4.2541 4.2541 4.2541 4.2541 4.6444 4.6444 4.6444 4.6444 5.7939 5.7939 5.7939 5.7939 8.5809 8.5809 8.5809 8.5809 8.8178 8.8178 8.8178 8.8178 k = 0.0000 0.0606 0.1770 ( 2292 PWs) bands (ev): -8.2141 -8.2141 -8.2141 -8.2141 -6.6038 -6.6038 -6.6038 -6.6038 -1.7884 -1.7884 -1.7884 -1.7884 0.5113 0.5113 0.5113 0.5113 1.5504 1.5504 1.5504 1.5504 2.9310 2.9310 2.9310 2.9310 3.1117 3.1117 3.1117 3.1117 4.2049 4.2049 4.2049 4.2049 4.6373 4.6373 4.6373 4.6373 5.8167 5.8167 5.8167 5.8167 8.5835 8.5835 8.5835 8.5835 8.8032 8.8032 8.8032 8.8032 k = 0.0000 0.0485 0.1770 ( 2288 PWs) bands (ev): -8.2224 -8.2224 -8.2224 -8.2224 -6.6025 -6.6025 -6.6025 -6.6025 -1.7648 -1.7648 -1.7648 -1.7648 0.5650 0.5650 0.5650 0.5650 1.5180 1.5180 1.5180 1.5180 2.9140 2.9140 2.9140 2.9140 3.0976 3.0976 3.0976 3.0976 4.1621 4.1621 4.1621 4.1621 4.6320 4.6320 4.6320 4.6320 5.8357 5.8357 5.8357 5.8357 8.5855 8.5855 8.5855 8.5855 8.7895 8.7895 8.7895 8.7895 k = 0.0000 0.0363 0.1770 ( 2294 PWs) bands (ev): -8.2289 -8.2289 -8.2289 -8.2289 -6.6015 -6.6015 -6.6015 -6.6015 -1.7460 -1.7460 -1.7460 -1.7460 0.6093 0.6093 0.6093 0.6093 1.4906 1.4906 1.4906 1.4906 2.9006 2.9006 2.9006 2.9006 3.0870 3.0870 3.0870 3.0870 4.1272 4.1272 4.1272 4.1272 4.6281 4.6281 4.6281 4.6281 5.8508 5.8508 5.8508 5.8508 8.5871 8.5871 8.5871 8.5871 8.7777 8.7777 8.7777 8.7777 k = 0.0000 0.0242 0.1770 ( 2298 PWs) bands (ev): -8.2335 -8.2335 -8.2335 -8.2335 -6.6008 -6.6008 -6.6008 -6.6008 -1.7322 -1.7322 -1.7322 -1.7322 0.6426 0.6426 0.6426 0.6426 1.4695 1.4695 1.4695 1.4695 2.8910 2.8910 2.8910 2.8910 3.0796 3.0796 3.0796 3.0796 4.1013 4.1013 4.1013 4.1013 4.6254 4.6254 4.6254 4.6254 5.8617 5.8617 5.8617 5.8617 8.5884 8.5884 8.5884 8.5884 8.7686 8.7686 8.7686 8.7686 k = 0.0000 0.0121 0.1770 ( 2294 PWs) bands (ev): -8.2363 -8.2363 -8.2363 -8.2363 -6.6004 -6.6004 -6.6004 -6.6004 -1.7238 -1.7238 -1.7238 -1.7238 0.6635 0.6635 0.6635 0.6635 1.4562 1.4562 1.4562 1.4562 2.8853 2.8853 2.8853 2.8853 3.0752 3.0752 3.0752 3.0752 4.0855 4.0855 4.0855 4.0855 4.6238 4.6238 4.6238 4.6238 5.8684 5.8684 5.8684 5.8684 8.5892 8.5892 8.5892 8.5892 8.7629 8.7629 8.7629 8.7629 k = 0.0000 0.0000 0.1770 ( 2296 PWs) bands (ev): -8.2372 -8.2372 -8.2372 -8.2372 -6.6002 -6.6002 -6.6002 -6.6002 -1.7210 -1.7210 -1.7210 -1.7210 0.6705 0.6705 0.6705 0.6705 1.4516 1.4516 1.4516 1.4516 2.8835 2.8835 2.8835 2.8835 3.0738 3.0738 3.0738 3.0738 4.0801 4.0801 4.0801 4.0801 4.6232 4.6232 4.6232 4.6232 5.8705 5.8705 5.8705 5.8705 8.5895 8.5895 8.5895 8.5895 8.7610 8.7610 8.7610 8.7610 k = 0.0000 0.4361-0.0000 ( 2280 PWs) bands (ev): -7.4008 -7.4008 -7.4008 -7.4008 -7.0561 -7.0561 -7.0561 -7.0561 -2.6145 -2.6145 -2.6145 -2.6145 -1.3503 -1.3503 -1.3503 -1.3503 2.2103 2.2103 2.2103 2.2103 3.9976 3.9976 3.9976 3.9976 4.3138 4.3138 4.3138 4.3138 4.8469 4.8469 4.8469 4.8469 5.2482 5.2482 5.2482 5.2482 5.8646 5.8646 5.8646 5.8646 7.5861 7.5861 7.5861 7.5861 8.3297 8.3297 8.3297 8.3297 k = 0.0000 0.4361 0.0118 ( 2276 PWs) bands (ev): -7.4007 -7.4007 -7.4007 -7.4007 -7.0563 -7.0563 -7.0563 -7.0563 -2.6133 -2.6133 -2.6133 -2.6133 -1.3528 -1.3528 -1.3528 -1.3528 2.2162 2.2162 2.2162 2.2162 3.9977 3.9977 3.9977 3.9977 4.3133 4.3133 4.3133 4.3133 4.8295 4.8295 4.8295 4.8295 5.2587 5.2587 5.2587 5.2587 5.8642 5.8642 5.8642 5.8642 7.5853 7.5853 7.5853 7.5853 8.3313 8.3313 8.3313 8.3313 k = 0.0000 0.4361 0.0236 ( 2274 PWs) bands (ev): -7.4004 -7.4004 -7.4004 -7.4004 -7.0566 -7.0566 -7.0566 -7.0566 -2.6096 -2.6096 -2.6096 -2.6096 -1.3603 -1.3603 -1.3603 -1.3603 2.2337 2.2337 2.2337 2.2337 3.9979 3.9979 3.9979 3.9979 4.3117 4.3117 4.3117 4.3117 4.7818 4.7818 4.7818 4.7818 5.2855 5.2855 5.2855 5.2855 5.8629 5.8629 5.8629 5.8629 7.5831 7.5831 7.5831 7.5831 8.3356 8.3356 8.3356 8.3356 k = 0.0000 0.4361 0.0354 ( 2276 PWs) bands (ev): -7.4000 -7.4000 -7.4000 -7.4000 -7.0572 -7.0572 -7.0572 -7.0572 -2.6036 -2.6036 -2.6036 -2.6036 -1.3724 -1.3724 -1.3724 -1.3724 2.2626 2.2626 2.2626 2.2626 3.9981 3.9981 3.9981 3.9981 4.3086 4.3086 4.3086 4.3086 4.7134 4.7134 4.7134 4.7134 5.3204 5.3204 5.3204 5.3204 5.8607 5.8607 5.8607 5.8607 7.5803 7.5803 7.5803 7.5803 8.3411 8.3411 8.3411 8.3411 k = 0.0000 0.4361 0.0472 ( 2270 PWs) bands (ev): -7.3994 -7.3994 -7.3994 -7.3994 -7.0580 -7.0580 -7.0580 -7.0580 -2.5954 -2.5954 -2.5954 -2.5954 -1.3886 -1.3886 -1.3886 -1.3886 2.3026 2.3026 2.3026 2.3026 3.9984 3.9984 3.9984 3.9984 4.3033 4.3033 4.3033 4.3033 4.6321 4.6321 4.6321 4.6321 5.3575 5.3575 5.3575 5.3575 5.8573 5.8573 5.8573 5.8573 7.5781 7.5781 7.5781 7.5781 8.3469 8.3469 8.3469 8.3469 k = 0.0000 0.4361 0.0590 ( 2274 PWs) bands (ev): -7.3987 -7.3987 -7.3987 -7.3987 -7.0590 -7.0590 -7.0590 -7.0590 -2.5853 -2.5853 -2.5853 -2.5853 -1.4085 -1.4085 -1.4085 -1.4085 2.3529 2.3529 2.3529 2.3529 3.9984 3.9984 3.9984 3.9984 4.2938 4.2938 4.2938 4.2938 4.5443 4.5443 4.5443 4.5443 5.3937 5.3937 5.3937 5.3937 5.8525 5.8525 5.8525 5.8525 7.5773 7.5773 7.5773 7.5773 8.3521 8.3521 8.3521 8.3521 k = 0.0000 0.4361 0.0708 ( 2270 PWs) bands (ev): -7.3979 -7.3979 -7.3979 -7.3979 -7.0601 -7.0601 -7.0601 -7.0601 -2.5735 -2.5735 -2.5735 -2.5735 -1.4310 -1.4310 -1.4310 -1.4310 2.4129 2.4129 2.4129 2.4129 3.9979 3.9979 3.9979 3.9979 4.2743 4.2743 4.2743 4.2743 4.4592 4.4592 4.4592 4.4592 5.4280 5.4280 5.4280 5.4280 5.8462 5.8462 5.8462 5.8462 7.5787 7.5787 7.5787 7.5787 8.3556 8.3556 8.3556 8.3556 k = 0.0000 0.4361 0.0826 ( 2270 PWs) bands (ev): -7.3971 -7.3971 -7.3971 -7.3971 -7.0614 -7.0614 -7.0614 -7.0614 -2.5604 -2.5604 -2.5604 -2.5604 -1.4554 -1.4554 -1.4554 -1.4554 2.4820 2.4820 2.4820 2.4820 3.9960 3.9960 3.9960 3.9960 4.2306 4.2306 4.2306 4.2306 4.3937 4.3937 4.3937 4.3937 5.4596 5.4596 5.4596 5.4596 5.8382 5.8382 5.8382 5.8382 7.5824 7.5824 7.5824 7.5824 8.3560 8.3560 8.3560 8.3560 k = 0.0000 0.4361 0.0944 ( 2270 PWs) bands (ev): -7.3962 -7.3962 -7.3962 -7.3962 -7.0626 -7.0626 -7.0626 -7.0626 -2.5466 -2.5466 -2.5466 -2.5466 -1.4807 -1.4807 -1.4807 -1.4807 2.5592 2.5592 2.5592 2.5592 3.9901 3.9901 3.9901 3.9901 4.1558 4.1558 4.1558 4.1558 4.3591 4.3591 4.3591 4.3591 5.4888 5.4888 5.4888 5.4888 5.8287 5.8287 5.8287 5.8287 7.5882 7.5882 7.5882 7.5882 8.3520 8.3520 8.3520 8.3520 k = 0.0000 0.4361 0.1062 ( 2268 PWs) bands (ev): -7.3954 -7.3954 -7.3954 -7.3954 -7.0638 -7.0638 -7.0638 -7.0638 -2.5325 -2.5325 -2.5325 -2.5325 -1.5057 -1.5057 -1.5057 -1.5057 2.6437 2.6437 2.6437 2.6437 3.9672 3.9672 3.9672 3.9672 4.0763 4.0763 4.0763 4.0763 4.3434 4.3434 4.3434 4.3434 5.5155 5.5155 5.5155 5.5155 5.8179 5.8179 5.8179 5.8179 7.5958 7.5958 7.5958 7.5958 8.3443 8.3443 8.3443 8.3443 k = 0.0000 0.4361 0.1180 ( 2268 PWs) bands (ev): -7.3946 -7.3946 -7.3946 -7.3946 -7.0649 -7.0649 -7.0649 -7.0649 -2.5189 -2.5189 -2.5189 -2.5189 -1.5295 -1.5295 -1.5295 -1.5295 2.7343 2.7343 2.7343 2.7343 3.8959 3.8959 3.8959 3.8959 4.0363 4.0363 4.0363 4.0363 4.3351 4.3351 4.3351 4.3351 5.5398 5.5398 5.5398 5.5398 5.8060 5.8060 5.8060 5.8060 7.6044 7.6044 7.6044 7.6044 8.3344 8.3344 8.3344 8.3344 k = 0.0000 0.4361 0.1298 ( 2270 PWs) bands (ev): -7.3939 -7.3939 -7.3939 -7.3939 -7.0660 -7.0660 -7.0660 -7.0660 -2.5063 -2.5063 -2.5063 -2.5063 -1.5510 -1.5510 -1.5510 -1.5510 2.8298 2.8298 2.8298 2.8298 3.7920 3.7920 3.7920 3.7920 4.0257 4.0257 4.0257 4.0257 4.3301 4.3301 4.3301 4.3301 5.5616 5.5616 5.5616 5.5616 5.7937 5.7937 5.7937 5.7937 7.6132 7.6132 7.6132 7.6132 8.3240 8.3240 8.3240 8.3240 k = 0.0000 0.4361 0.1416 ( 2270 PWs) bands (ev): -7.3933 -7.3933 -7.3933 -7.3933 -7.0668 -7.0668 -7.0668 -7.0668 -2.4955 -2.4955 -2.4955 -2.4955 -1.5690 -1.5690 -1.5690 -1.5690 2.9283 2.9283 2.9283 2.9283 3.6813 3.6813 3.6813 3.6813 4.0223 4.0223 4.0223 4.0223 4.3268 4.3268 4.3268 4.3268 5.5805 5.5805 5.5805 5.5805 5.7818 5.7818 5.7818 5.7818 7.6213 7.6213 7.6213 7.6213 8.3144 8.3144 8.3144 8.3144 k = 0.0000 0.4361 0.1534 ( 2266 PWs) bands (ev): -7.3928 -7.3928 -7.3928 -7.3928 -7.0674 -7.0674 -7.0674 -7.0674 -2.4872 -2.4872 -2.4872 -2.4872 -1.5827 -1.5827 -1.5827 -1.5827 3.0260 3.0260 3.0260 3.0260 3.5735 3.5735 3.5735 3.5735 4.0212 4.0212 4.0212 4.0212 4.3247 4.3247 4.3247 4.3247 5.5956 5.5956 5.5956 5.5956 5.7714 5.7714 5.7714 5.7714 7.6279 7.6279 7.6279 7.6279 8.3067 8.3067 8.3067 8.3067 k = 0.0000 0.4361 0.1652 ( 2266 PWs) bands (ev): -7.3925 -7.3925 -7.3925 -7.3925 -7.0678 -7.0678 -7.0678 -7.0678 -2.4820 -2.4820 -2.4820 -2.4820 -1.5912 -1.5912 -1.5912 -1.5912 3.1124 3.1124 3.1124 3.1124 3.4806 3.4806 3.4806 3.4806 4.0207 4.0207 4.0207 4.0207 4.3235 4.3235 4.3235 4.3235 5.6057 5.6057 5.6057 5.6057 5.7640 5.7640 5.7640 5.7640 7.6322 7.6322 7.6322 7.6322 8.3017 8.3017 8.3017 8.3017 k = 0.0000 0.4361 0.1770 ( 2276 PWs) bands (ev): -7.3925 -7.3925 -7.3925 -7.3925 -7.0680 -7.0680 -7.0680 -7.0680 -2.4802 -2.4802 -2.4802 -2.4802 -1.5941 -1.5941 -1.5941 -1.5941 3.1537 3.1537 3.1537 3.1537 3.4370 3.4370 3.4370 3.4370 4.0205 4.0205 4.0205 4.0205 4.3231 4.3231 4.3231 4.3231 5.6093 5.6093 5.6093 5.6093 5.7613 5.7613 5.7613 5.7613 7.6336 7.6336 7.6336 7.6336 8.3000 8.3000 8.3000 8.3000 k = 0.5000-0.0000 0.1770 ( 2264 PWs) bands (ev): -6.8292 -6.8292 -6.8292 -6.8292 -6.8279 -6.8279 -6.8279 -6.8279 -2.1702 -2.1702 -2.1702 -2.1702 -2.1609 -2.1609 -2.1609 -2.1609 2.9826 2.9826 2.9826 2.9826 3.0237 3.0237 3.0237 3.0237 3.8879 3.8879 3.8879 3.8879 3.9019 3.9019 3.9019 3.9019 4.6068 4.6068 4.6068 4.6068 4.6642 4.6642 4.6642 4.6642 7.6968 7.6968 7.6968 7.6968 7.7648 7.7648 7.7648 7.7648 k = 0.5000-0.0000 0.1652 ( 2262 PWs) bands (ev): -6.8345 -6.8345 -6.8345 -6.8345 -6.8226 -6.8226 -6.8226 -6.8226 -2.2016 -2.2016 -2.2016 -2.2016 -2.1288 -2.1288 -2.1288 -2.1288 2.9427 2.9427 2.9428 2.9428 3.0602 3.0602 3.0602 3.0602 3.8601 3.8601 3.8601 3.8601 3.9319 3.9319 3.9319 3.9319 4.6088 4.6088 4.6088 4.6088 4.6661 4.6661 4.6661 4.6661 7.6919 7.6919 7.6919 7.6919 7.7606 7.7606 7.7606 7.7606 k = 0.5000-0.0000 0.1534 ( 2262 PWs) bands (ev): -6.8403 -6.8403 -6.8403 -6.8403 -6.8166 -6.8166 -6.8166 -6.8166 -2.2363 -2.2363 -2.2363 -2.2363 -2.0923 -2.0923 -2.0923 -2.0923 2.8854 2.8854 2.8854 2.8854 3.1076 3.1076 3.1076 3.1076 3.8292 3.8292 3.8292 3.8292 3.9693 3.9693 3.9693 3.9693 4.6150 4.6150 4.6150 4.6150 4.6715 4.6715 4.6715 4.6715 7.6780 7.6780 7.6780 7.6780 7.7486 7.7486 7.7487 7.7487 k = 0.5000-0.0000 0.1416 ( 2270 PWs) bands (ev): -6.8460 -6.8460 -6.8460 -6.8460 -6.8108 -6.8108 -6.8108 -6.8108 -2.2697 -2.2697 -2.2697 -2.2697 -2.0558 -2.0558 -2.0558 -2.0558 2.8255 2.8255 2.8255 2.8255 3.1515 3.1515 3.1515 3.1515 3.8012 3.8012 3.8012 3.8012 4.0070 4.0070 4.0070 4.0070 4.6257 4.6257 4.6257 4.6257 4.6806 4.6806 4.6806 4.6806 7.6564 7.6564 7.6564 7.6564 7.7302 7.7302 7.7302 7.7302 k = 0.5000-0.0000 0.1298 ( 2270 PWs) bands (ev): -6.8514 -6.8514 -6.8514 -6.8514 -6.8051 -6.8051 -6.8051 -6.8051 -2.3016 -2.3016 -2.3016 -2.3016 -2.0198 -2.0198 -2.0198 -2.0198 2.7650 2.7650 2.7650 2.7650 3.1910 3.1910 3.1910 3.1910 3.7763 3.7763 3.7763 3.7763 4.0434 4.0434 4.0434 4.0434 4.6409 4.6409 4.6409 4.6409 4.6937 4.6937 4.6937 4.6937 7.6291 7.6291 7.6291 7.6291 7.7069 7.7069 7.7069 7.7069 k = 0.5000-0.0000 0.1180 ( 2258 PWs) bands (ev): -6.8566 -6.8566 -6.8566 -6.8566 -6.7996 -6.7996 -6.7996 -6.7996 -2.3316 -2.3316 -2.3316 -2.3316 -1.9848 -1.9848 -1.9848 -1.9848 2.7054 2.7054 2.7054 2.7054 3.2257 3.2257 3.2257 3.2257 3.7543 3.7543 3.7543 3.7543 4.0768 4.0768 4.0768 4.0768 4.6592 4.6592 4.6592 4.6592 4.7120 4.7120 4.7120 4.7120 7.5982 7.5982 7.5982 7.5982 7.6805 7.6805 7.6805 7.6805 k = 0.5000-0.0000 0.1062 ( 2258 PWs) bands (ev): -6.8614 -6.8614 -6.8614 -6.8614 -6.7945 -6.7945 -6.7945 -6.7945 -2.3595 -2.3595 -2.3595 -2.3595 -1.9513 -1.9513 -1.9513 -1.9513 2.6476 2.6476 2.6476 2.6476 3.2558 3.2558 3.2558 3.2558 3.7352 3.7352 3.7352 3.7352 4.1060 4.1060 4.1060 4.1060 4.6779 4.6779 4.6779 4.6779 4.7376 4.7376 4.7376 4.7376 7.5653 7.5653 7.5653 7.5653 7.6524 7.6524 7.6524 7.6524 k = 0.5000-0.0000 0.0944 ( 2262 PWs) bands (ev): -6.8659 -6.8659 -6.8659 -6.8659 -6.7897 -6.7897 -6.7897 -6.7897 -2.3851 -2.3851 -2.3851 -2.3851 -1.9196 -1.9196 -1.9196 -1.9196 2.5929 2.5929 2.5929 2.5929 3.2814 3.2814 3.2814 3.2814 3.7187 3.7187 3.7187 3.7187 4.1303 4.1303 4.1303 4.1303 4.6949 4.6949 4.6949 4.6949 4.7714 4.7714 4.7714 4.7714 7.5322 7.5322 7.5322 7.5322 7.6238 7.6238 7.6238 7.6238 k = 0.5000-0.0000 0.0826 ( 2250 PWs) bands (ev): -6.8699 -6.8699 -6.8699 -6.8699 -6.7852 -6.7852 -6.7852 -6.7852 -2.4081 -2.4081 -2.4081 -2.4081 -1.8903 -1.8903 -1.8903 -1.8903 2.5423 2.5423 2.5423 2.5423 3.3031 3.3031 3.3031 3.3031 3.7048 3.7048 3.7048 3.7048 4.1498 4.1498 4.1498 4.1498 4.7096 4.7096 4.7096 4.7096 4.8119 4.8119 4.8119 4.8119 7.5002 7.5002 7.5002 7.5002 7.5957 7.5957 7.5957 7.5957 k = 0.5000-0.0000 0.0708 ( 2246 PWs) bands (ev): -6.8735 -6.8735 -6.8735 -6.8735 -6.7813 -6.7813 -6.7813 -6.7813 -2.4284 -2.4284 -2.4284 -2.4284 -1.8637 -1.8637 -1.8637 -1.8637 2.4964 2.4964 2.4964 2.4964 3.3211 3.3211 3.3211 3.3211 3.6930 3.6930 3.6930 3.6930 4.1647 4.1647 4.1647 4.1647 4.7225 4.7225 4.7225 4.7225 4.8557 4.8557 4.8557 4.8557 7.4703 7.4703 7.4703 7.4703 7.5688 7.5688 7.5688 7.5688 k = 0.5000-0.0000 0.0590 ( 2246 PWs) bands (ev): -6.8766 -6.8766 -6.8766 -6.8766 -6.7779 -6.7779 -6.7779 -6.7779 -2.4458 -2.4458 -2.4458 -2.4458 -1.8404 -1.8404 -1.8404 -1.8404 2.4562 2.4562 2.4562 2.4562 3.3356 3.3356 3.3356 3.3356 3.6834 3.6834 3.6834 3.6834 4.1758 4.1758 4.1758 4.1758 4.7336 4.7336 4.7336 4.7336 4.8998 4.8998 4.8998 4.8998 7.4435 7.4435 7.4435 7.4435 7.5439 7.5439 7.5439 7.5439 k = 0.5000-0.0000 0.0472 ( 2250 PWs) bands (ev): -6.8791 -6.8791 -6.8791 -6.8791 -6.7750 -6.7750 -6.7750 -6.7750 -2.4603 -2.4603 -2.4603 -2.4603 -1.8207 -1.8207 -1.8207 -1.8207 2.4224 2.4224 2.4224 2.4224 3.3470 3.3470 3.3470 3.3470 3.6758 3.6758 3.6758 3.6758 4.1838 4.1838 4.1838 4.1838 4.7429 4.7429 4.7429 4.7429 4.9409 4.9409 4.9409 4.9409 7.4204 7.4204 7.4204 7.4204 7.5217 7.5217 7.5217 7.5217 k = 0.5000-0.0000 0.0354 ( 2248 PWs) bands (ev): -6.8812 -6.8812 -6.8812 -6.8812 -6.7727 -6.7727 -6.7727 -6.7727 -2.4717 -2.4717 -2.4717 -2.4717 -1.8050 -1.8050 -1.8050 -1.8050 2.3954 2.3954 2.3954 2.3954 3.3557 3.3557 3.3557 3.3557 3.6699 3.6699 3.6699 3.6699 4.1894 4.1894 4.1894 4.1894 4.7504 4.7504 4.7504 4.7504 4.9763 4.9763 4.9763 4.9763 7.4018 7.4018 7.4018 7.4018 7.5032 7.5032 7.5032 7.5032 k = 0.5000-0.0000 0.0236 ( 2248 PWs) bands (ev): -6.8826 -6.8826 -6.8826 -6.8826 -6.7711 -6.7711 -6.7711 -6.7711 -2.4798 -2.4798 -2.4798 -2.4798 -1.7936 -1.7936 -1.7936 -1.7936 2.3759 2.3759 2.3759 2.3759 3.3617 3.3617 3.3617 3.3617 3.6659 3.6659 3.6659 3.6659 4.1931 4.1931 4.1931 4.1931 4.7558 4.7558 4.7558 4.7558 5.0035 5.0035 5.0035 5.0035 7.3882 7.3882 7.3882 7.3882 7.4891 7.4891 7.4891 7.4891 k = 0.5000-0.0000 0.0118 ( 2234 PWs) bands (ev): -6.8835 -6.8835 -6.8835 -6.8835 -6.7701 -6.7701 -6.7701 -6.7701 -2.4848 -2.4848 -2.4848 -2.4848 -1.7865 -1.7865 -1.7865 -1.7865 2.3640 2.3640 2.3640 2.3640 3.3653 3.3653 3.3653 3.3653 3.6635 3.6635 3.6635 3.6635 4.1952 4.1952 4.1952 4.1952 4.7592 4.7592 4.7592 4.7592 5.0207 5.0207 5.0207 5.0207 7.3798 7.3798 7.3798 7.3798 7.4803 7.4803 7.4803 7.4803 k = 0.5000-0.0000-0.0000 ( 2236 PWs) bands (ev): -6.8838 -6.8838 -6.8838 -6.8838 -6.7697 -6.7697 -6.7697 -6.7697 -2.4864 -2.4864 -2.4864 -2.4864 -1.7842 -1.7842 -1.7842 -1.7842 2.3599 2.3599 2.3599 2.3599 3.3665 3.3665 3.3665 3.3665 3.6627 3.6627 3.6627 3.6627 4.1959 4.1959 4.1959 4.1959 4.7603 4.7603 4.7603 4.7603 5.0266 5.0266 5.0266 5.0266 7.3770 7.3770 7.3770 7.3770 7.4773 7.4773 7.4773 7.4773 k = 0.5000 0.4361-0.0000 ( 2252 PWs) bands (ev): -6.6243 -6.6243 -6.6243 -6.6243 -6.5967 -6.5967 -6.5967 -6.5967 -1.8183 -1.8183 -1.8183 -1.8183 -1.6795 -1.6795 -1.6795 -1.6795 0.9025 0.9025 0.9025 0.9025 1.3219 1.3219 1.3219 1.3219 2.3338 2.3338 2.3338 2.3338 2.7746 2.7746 2.7746 2.7746 3.9725 3.9725 3.9725 3.9725 4.6858 4.6858 4.6858 4.6858 9.2068 9.2068 9.2068 9.2068 9.5462 9.5462 9.5462 9.5462 k = 0.5000 0.4361 0.0118 ( 2252 PWs) bands (ev): -6.6242 -6.6242 -6.6242 -6.6242 -6.5968 -6.5968 -6.5968 -6.5968 -1.8180 -1.8180 -1.8180 -1.8180 -1.6800 -1.6800 -1.6800 -1.6800 0.9045 0.9045 0.9045 0.9045 1.3234 1.3234 1.3234 1.3234 2.3286 2.3286 2.3286 2.3286 2.7695 2.7695 2.7695 2.7695 3.9797 3.9797 3.9797 3.9797 4.6891 4.6891 4.6891 4.6891 9.1990 9.1990 9.1990 9.1990 9.5394 9.5394 9.5394 9.5394 k = 0.5000 0.4361 0.0236 ( 2256 PWs) bands (ev): -6.6240 -6.6240 -6.6240 -6.6240 -6.5970 -6.5970 -6.5970 -6.5970 -1.8172 -1.8172 -1.8172 -1.8172 -1.6814 -1.6814 -1.6814 -1.6814 0.9107 0.9107 0.9107 0.9107 1.3281 1.3281 1.3281 1.3281 2.3132 2.3132 2.3132 2.3132 2.7543 2.7543 2.7543 2.7543 4.0008 4.0008 4.0008 4.0008 4.6987 4.6987 4.6987 4.6987 9.1763 9.1763 9.1763 9.1763 9.5192 9.5192 9.5192 9.5192 k = 0.5000 0.4361 0.0354 ( 2256 PWs) bands (ev): -6.6237 -6.6237 -6.6237 -6.6237 -6.5974 -6.5974 -6.5974 -6.5974 -1.8159 -1.8159 -1.8159 -1.8159 -1.6837 -1.6837 -1.6837 -1.6837 0.9210 0.9210 0.9210 0.9210 1.3355 1.3355 1.3355 1.3355 2.2889 2.2889 2.2889 2.2889 2.7299 2.7299 2.7299 2.7299 4.0345 4.0345 4.0345 4.0345 4.7138 4.7138 4.7138 4.7138 9.1406 9.1406 9.1406 9.1406 9.4865 9.4865 9.4865 9.4865 k = 0.5000 0.4361 0.0472 ( 2264 PWs) bands (ev): -6.6232 -6.6232 -6.6232 -6.6232 -6.5979 -6.5979 -6.5979 -6.5979 -1.8140 -1.8140 -1.8140 -1.8140 -1.6868 -1.6868 -1.6868 -1.6868 0.9352 0.9352 0.9352 0.9352 1.3454 1.3454 1.3454 1.3454 2.2575 2.2575 2.2575 2.2575 2.6970 2.6970 2.6970 2.6970 4.0792 4.0792 4.0792 4.0792 4.7332 4.7332 4.7332 4.7332 9.0953 9.0953 9.0953 9.0953 9.4427 9.4427 9.4427 9.4427 k = 0.5000 0.4361 0.0590 ( 2268 PWs) bands (ev): -6.6225 -6.6225 -6.6225 -6.6225 -6.5985 -6.5985 -6.5985 -6.5985 -1.8116 -1.8116 -1.8116 -1.8116 -1.6907 -1.6907 -1.6907 -1.6907 0.9534 0.9534 0.9534 0.9534 1.3570 1.3570 1.3570 1.3570 2.2214 2.2214 2.2214 2.2214 2.6570 2.6570 2.6570 2.6570 4.1329 4.1329 4.1329 4.1329 4.7551 4.7551 4.7551 4.7551 9.0438 9.0438 9.0438 9.0438 9.3897 9.3897 9.3897 9.3897 k = 0.5000 0.4361 0.0708 ( 2272 PWs) bands (ev): -6.6218 -6.6218 -6.6218 -6.6218 -6.5993 -6.5993 -6.5993 -6.5993 -1.8087 -1.8087 -1.8087 -1.8087 -1.6954 -1.6954 -1.6954 -1.6954 0.9753 0.9753 0.9753 0.9753 1.3694 1.3694 1.3694 1.3694 2.1828 2.1828 2.1828 2.1828 2.6112 2.6112 2.6112 2.6112 4.1934 4.1934 4.1934 4.1934 4.7780 4.7780 4.7780 4.7780 8.9897 8.9897 8.9897 8.9897 9.3295 9.3295 9.3295 9.3295 k = 0.5000 0.4361 0.0826 ( 2268 PWs) bands (ev): -6.6209 -6.6209 -6.6209 -6.6209 -6.6002 -6.6002 -6.6002 -6.6002 -1.8053 -1.8053 -1.8053 -1.8053 -1.7006 -1.7006 -1.7006 -1.7006 1.0007 1.0007 1.0007 1.0007 1.3814 1.3814 1.3814 1.3814 2.1446 2.1446 2.1446 2.1446 2.5610 2.5610 2.5610 2.5610 4.2587 4.2587 4.2587 4.2587 4.7999 4.7999 4.7999 4.7999 8.9363 8.9363 8.9363 8.9363 9.2641 9.2641 9.2641 9.2641 k = 0.5000 0.4361 0.0944 ( 2264 PWs) bands (ev): -6.6199 -6.6199 -6.6199 -6.6199 -6.6012 -6.6012 -6.6012 -6.6012 -1.8014 -1.8014 -1.8014 -1.8014 -1.7063 -1.7063 -1.7063 -1.7063 1.0295 1.0295 1.0295 1.0295 1.3914 1.3914 1.3914 1.3914 2.1096 2.1096 2.1096 2.1096 2.5076 2.5076 2.5076 2.5076 4.3268 4.3268 4.3268 4.3268 4.8188 4.8188 4.8188 4.8188 8.8865 8.8865 8.8865 8.8865 9.1957 9.1957 9.1957 9.1957 k = 0.5000 0.4361 0.1062 ( 2264 PWs) bands (ev): -6.6188 -6.6188 -6.6188 -6.6188 -6.6023 -6.6023 -6.6023 -6.6023 -1.7971 -1.7971 -1.7971 -1.7971 -1.7124 -1.7124 -1.7124 -1.7124 1.0612 1.0612 1.0612 1.0612 1.3975 1.3975 1.3975 1.3975 2.0804 2.0804 2.0804 2.0804 2.4524 2.4524 2.4524 2.4524 4.3958 4.3958 4.3958 4.3958 4.8333 4.8333 4.8333 4.8333 8.8430 8.8430 8.8430 8.8430 9.1264 9.1264 9.1264 9.1264 k = 0.5000 0.4361 0.1180 ( 2260 PWs) bands (ev): -6.6177 -6.6177 -6.6177 -6.6177 -6.6034 -6.6034 -6.6034 -6.6034 -1.7924 -1.7924 -1.7924 -1.7924 -1.7188 -1.7188 -1.7188 -1.7188 1.0956 1.0956 1.0956 1.0956 1.3977 1.3977 1.3977 1.3977 2.0597 2.0597 2.0597 2.0597 2.3967 2.3967 2.3967 2.3967 4.4639 4.4639 4.4639 4.4639 4.8418 4.8418 4.8418 4.8418 8.8079 8.8079 8.8079 8.8079 9.0586 9.0586 9.0586 9.0586 k = 0.5000 0.4361 0.1298 ( 2264 PWs) bands (ev): -6.6165 -6.6165 -6.6165 -6.6165 -6.6046 -6.6046 -6.6046 -6.6046 -1.7876 -1.7876 -1.7876 -1.7876 -1.7252 -1.7252 -1.7252 -1.7252 1.1320 1.1320 1.1320 1.1320 1.3905 1.3905 1.3905 1.3905 2.0496 2.0496 2.0496 2.0496 2.3417 2.3417 2.3417 2.3417 4.5294 4.5294 4.5294 4.5294 4.8431 4.8431 4.8431 4.8431 8.7826 8.7826 8.7826 8.7826 8.9942 8.9942 8.9942 8.9942 k = 0.5000 0.4361 0.1416 ( 2252 PWs) bands (ev): -6.6152 -6.6152 -6.6152 -6.6152 -6.6059 -6.6059 -6.6059 -6.6059 -1.7826 -1.7826 -1.7826 -1.7826 -1.7314 -1.7314 -1.7314 -1.7314 1.1700 1.1700 1.1700 1.1700 1.3753 1.3753 1.3753 1.3753 2.0507 2.0507 2.0507 2.0507 2.2892 2.2892 2.2892 2.2892 4.5905 4.5905 4.5905 4.5905 4.8367 4.8367 4.8367 4.8367 8.7685 8.7685 8.7685 8.7685 8.9355 8.9355 8.9355 8.9355 k = 0.5000 0.4361 0.1534 ( 2248 PWs) bands (ev): -6.6140 -6.6140 -6.6140 -6.6140 -6.6071 -6.6071 -6.6071 -6.6071 -1.7779 -1.7779 -1.7779 -1.7779 -1.7370 -1.7370 -1.7370 -1.7370 1.2084 1.2084 1.2084 1.2084 1.3526 1.3526 1.3526 1.3526 2.0618 2.0618 2.0618 2.0618 2.2414 2.2414 2.2414 2.2414 4.6448 4.6448 4.6448 4.6448 4.8229 4.8229 4.8229 4.8229 8.7656 8.7656 8.7656 8.7656 8.8847 8.8847 8.8847 8.8847 k = 0.5000 0.4361 0.1652 ( 2244 PWs) bands (ev): -6.6130 -6.6130 -6.6130 -6.6130 -6.6081 -6.6081 -6.6081 -6.6081 -1.7742 -1.7742 -1.7742 -1.7742 -1.7412 -1.7412 -1.7412 -1.7412 1.2456 1.2456 1.2456 1.2456 1.3245 1.3245 1.3245 1.3245 2.0785 2.0785 2.0785 2.0785 2.2028 2.2028 2.2028 2.2028 4.6882 4.6882 4.6882 4.6882 4.8046 4.8046 4.8046 4.8046 8.7728 8.7728 8.7728 8.7728 8.8446 8.8446 8.8446 8.8446 k = 0.5000 0.4361 0.1770 ( 2256 PWs) bands (ev): -6.6126 -6.6126 -6.6126 -6.6126 -6.6086 -6.6086 -6.6086 -6.6086 -1.7728 -1.7728 -1.7728 -1.7728 -1.7429 -1.7429 -1.7429 -1.7429 1.2702 1.2702 1.2702 1.2702 1.3027 1.3027 1.3027 1.3027 2.0883 2.0883 2.0883 2.0883 2.1857 2.1857 2.1857 2.1857 4.7077 4.7077 4.7077 4.7077 4.7934 4.7934 4.7934 4.7934 8.7805 8.7805 8.7805 8.7805 8.8255 8.8255 8.8255 8.8255 Writing output data file GeSe.save init_run : 0.06s CPU 0.15s WALL ( 1 calls) electrons : 103.72s CPU 105.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 103.71s CPU 105.88s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 384 calls) cegterg : 92.96s CPU 94.70s WALL ( 492 calls) Called by sum_band: Called by *egterg: h_psi : 41.08s CPU 42.03s WALL ( 7881 calls) s_psi : 1.93s CPU 2.03s WALL ( 7881 calls) g_psi : 0.11s CPU 0.11s WALL ( 7005 calls) cdiaghg : 45.87s CPU 46.98s WALL ( 7389 calls) cegterg:over : 3.65s CPU 3.73s WALL ( 7005 calls) cegterg:upda : 2.52s CPU 2.46s WALL ( 7005 calls) cegterg:last : 1.75s CPU 1.70s WALL ( 1260 calls) cdiaghg:chol : 2.31s CPU 2.43s WALL ( 7389 calls) cdiaghg:inve : 1.70s CPU 1.69s WALL ( 7389 calls) cdiaghg:para : 2.62s CPU 2.70s WALL ( 14778 calls) Called by h_psi: h_psi:vloc : 35.50s CPU 36.36s WALL ( 7881 calls) h_psi:vnl : 5.53s CPU 5.57s WALL ( 7881 calls) add_vuspsi : 2.05s CPU 2.16s WALL ( 7881 calls) General routines calbec : 3.46s CPU 3.39s WALL ( 7881 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 33.80s CPU 34.60s WALL ( 799440 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.14s WALL ( 768 calls) Parallel routines fft_scatter : 16.77s CPU 17.21s WALL ( 799463 calls) PWSCF : 1m56.02s CPU 2m 8.58s WALL This run was terminated on: 18:55: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=