Program PWSCF v.5.1.1 starts on 23Jul2015 at 15:23:54 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./BN.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 11 3 730 286 49 Max 22 12 4 735 298 54 Sum 1021 555 173 35151 14015 2481 bravais-lattice index = 14 lattice parameter (alat) = 4.8755 a.u. unit-cell volume = 355.5334 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.875493 celldm(2)= 1.662791 celldm(3)= 1.844961 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 1.662791 0.000000 ) a(3) = ( 0.000000 0.000000 1.844961 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.601399 -0.000000 ) b(3) = ( 0.000000 0.000000 0.542017 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 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 ) ( -0.8313953 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9224806 ) 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 ) ( 0.8313953 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9224806 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 536 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0081967 -0.0000000 -0.0000000), wk = 0.0018657 k( 3) = ( 0.0163934 -0.0000000 -0.0000000), wk = 0.0018657 k( 4) = ( 0.0245902 -0.0000000 -0.0000000), wk = 0.0018657 k( 5) = ( 0.0327869 -0.0000000 -0.0000000), wk = 0.0018657 k( 6) = ( 0.0409836 -0.0000000 -0.0000000), wk = 0.0018657 k( 7) = ( 0.0491803 -0.0000000 -0.0000000), wk = 0.0018657 k( 8) = ( 0.0573770 -0.0000000 -0.0000000), wk = 0.0018657 k( 9) = ( 0.0655738 -0.0000000 -0.0000000), wk = 0.0018657 k( 10) = ( 0.0737705 -0.0000000 -0.0000000), wk = 0.0018657 k( 11) = ( 0.0819672 -0.0000000 -0.0000000), wk = 0.0018657 k( 12) = ( 0.0901639 -0.0000000 -0.0000000), wk = 0.0018657 k( 13) = ( 0.0983607 -0.0000000 -0.0000000), wk = 0.0018657 k( 14) = ( 0.1065574 -0.0000000 -0.0000000), wk = 0.0018657 k( 15) = ( 0.1147541 -0.0000000 -0.0000000), wk = 0.0018657 k( 16) = ( 0.1229508 -0.0000000 -0.0000000), wk = 0.0018657 k( 17) = ( 0.1311475 -0.0000000 -0.0000000), wk = 0.0018657 k( 18) = ( 0.1393443 -0.0000000 -0.0000000), wk = 0.0018657 k( 19) = ( 0.1475410 -0.0000000 -0.0000000), wk = 0.0018657 k( 20) = ( 0.1557377 -0.0000000 -0.0000000), wk = 0.0018657 k( 21) = ( 0.1639344 -0.0000000 -0.0000000), wk = 0.0018657 k( 22) = ( 0.1721312 -0.0000000 -0.0000000), wk = 0.0018657 k( 23) = ( 0.1803279 -0.0000000 -0.0000000), wk = 0.0018657 k( 24) = ( 0.1885246 -0.0000000 -0.0000000), wk = 0.0018657 k( 25) = ( 0.1967213 -0.0000000 -0.0000000), wk = 0.0018657 k( 26) = ( 0.2049180 -0.0000000 -0.0000000), wk = 0.0018657 k( 27) = ( 0.2131147 -0.0000000 -0.0000000), wk = 0.0018657 k( 28) = ( 0.2213115 -0.0000000 -0.0000000), wk = 0.0018657 k( 29) = ( 0.2295082 -0.0000000 -0.0000000), wk = 0.0018657 k( 30) = ( 0.2377049 -0.0000000 -0.0000000), wk = 0.0018657 k( 31) = ( 0.2459016 -0.0000000 -0.0000000), wk = 0.0018657 k( 32) = ( 0.2540984 -0.0000000 -0.0000000), wk = 0.0018657 k( 33) = ( 0.2622951 -0.0000000 -0.0000000), wk = 0.0018657 k( 34) = ( 0.2704918 -0.0000000 -0.0000000), wk = 0.0018657 k( 35) = ( 0.2786885 -0.0000000 -0.0000000), wk = 0.0018657 k( 36) = ( 0.2868852 -0.0000000 -0.0000000), wk = 0.0018657 k( 37) = ( 0.2950820 -0.0000000 -0.0000000), wk = 0.0018657 k( 38) = ( 0.3032787 -0.0000000 -0.0000000), wk = 0.0018657 k( 39) = ( 0.3114754 -0.0000000 -0.0000000), wk = 0.0018657 k( 40) = ( 0.3196721 -0.0000000 -0.0000000), wk = 0.0018657 k( 41) = ( 0.3278688 -0.0000000 -0.0000000), wk = 0.0018657 k( 42) = ( 0.3360656 -0.0000000 -0.0000000), wk = 0.0018657 k( 43) = ( 0.3442623 -0.0000000 -0.0000000), wk = 0.0018657 k( 44) = ( 0.3524590 -0.0000000 -0.0000000), wk = 0.0018657 k( 45) = ( 0.3606557 -0.0000000 -0.0000000), wk = 0.0018657 k( 46) = ( 0.3688525 -0.0000000 -0.0000000), wk = 0.0018657 k( 47) = ( 0.3770492 -0.0000000 -0.0000000), wk = 0.0018657 k( 48) = ( 0.3852459 -0.0000000 -0.0000000), wk = 0.0018657 k( 49) = ( 0.3934426 -0.0000000 -0.0000000), wk = 0.0018657 k( 50) = ( 0.4016393 -0.0000000 -0.0000000), wk = 0.0018657 k( 51) = ( 0.4098361 -0.0000000 -0.0000000), wk = 0.0018657 k( 52) = ( 0.4180328 -0.0000000 -0.0000000), wk = 0.0018657 k( 53) = ( 0.4262295 -0.0000000 -0.0000000), wk = 0.0018657 k( 54) = ( 0.4344262 -0.0000000 -0.0000000), wk = 0.0018657 k( 55) = ( 0.4426230 -0.0000000 -0.0000000), wk = 0.0018657 k( 56) = ( 0.4508197 -0.0000000 -0.0000000), wk = 0.0018657 k( 57) = ( 0.4590164 -0.0000000 -0.0000000), wk = 0.0018657 k( 58) = ( 0.4672131 -0.0000000 -0.0000000), wk = 0.0018657 k( 59) = ( 0.4754098 -0.0000000 -0.0000000), wk = 0.0018657 k( 60) = ( 0.4836066 -0.0000000 -0.0000000), wk = 0.0018657 k( 61) = ( 0.4918033 -0.0000000 -0.0000000), wk = 0.0018657 k( 62) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018657 k( 63) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018657 k( 64) = ( 0.5000000 0.0081270 -0.0000000), wk = 0.0018657 k( 65) = ( 0.5000000 0.0162540 -0.0000000), wk = 0.0018657 k( 66) = ( 0.5000000 0.0243810 -0.0000000), wk = 0.0018657 k( 67) = ( 0.5000000 0.0325080 -0.0000000), wk = 0.0018657 k( 68) = ( 0.5000000 0.0406350 -0.0000000), wk = 0.0018657 k( 69) = ( 0.5000000 0.0487620 -0.0000000), wk = 0.0018657 k( 70) = ( 0.5000000 0.0568891 -0.0000000), wk = 0.0018657 k( 71) = ( 0.5000000 0.0650161 -0.0000000), wk = 0.0018657 k( 72) = ( 0.5000000 0.0731431 -0.0000000), wk = 0.0018657 k( 73) = ( 0.5000000 0.0812701 -0.0000000), wk = 0.0018657 k( 74) = ( 0.5000000 0.0893971 -0.0000000), wk = 0.0018657 k( 75) = ( 0.5000000 0.0975241 -0.0000000), wk = 0.0018657 k( 76) = ( 0.5000000 0.1056511 -0.0000000), wk = 0.0018657 k( 77) = ( 0.5000000 0.1137781 -0.0000000), wk = 0.0018657 k( 78) = ( 0.5000000 0.1219051 -0.0000000), wk = 0.0018657 k( 79) = ( 0.5000000 0.1300321 -0.0000000), wk = 0.0018657 k( 80) = ( 0.5000000 0.1381591 -0.0000000), wk = 0.0018657 k( 81) = ( 0.5000000 0.1462861 -0.0000000), wk = 0.0018657 k( 82) = ( 0.5000000 0.1544132 -0.0000000), wk = 0.0018657 k( 83) = ( 0.5000000 0.1625402 -0.0000000), wk = 0.0018657 k( 84) = ( 0.5000000 0.1706672 -0.0000000), wk = 0.0018657 k( 85) = ( 0.5000000 0.1787942 -0.0000000), wk = 0.0018657 k( 86) = ( 0.5000000 0.1869212 -0.0000000), wk = 0.0018657 k( 87) = ( 0.5000000 0.1950482 -0.0000000), wk = 0.0018657 k( 88) = ( 0.5000000 0.2031752 -0.0000000), wk = 0.0018657 k( 89) = ( 0.5000000 0.2113022 -0.0000000), wk = 0.0018657 k( 90) = ( 0.5000000 0.2194292 -0.0000000), wk = 0.0018657 k( 91) = ( 0.5000000 0.2275562 -0.0000000), wk = 0.0018657 k( 92) = ( 0.5000000 0.2356832 -0.0000000), wk = 0.0018657 k( 93) = ( 0.5000000 0.2438102 -0.0000000), wk = 0.0018657 k( 94) = ( 0.5000000 0.2519373 -0.0000000), wk = 0.0018657 k( 95) = ( 0.5000000 0.2600643 -0.0000000), wk = 0.0018657 k( 96) = ( 0.5000000 0.2681913 -0.0000000), wk = 0.0018657 k( 97) = ( 0.5000000 0.2763183 -0.0000000), wk = 0.0018657 k( 98) = ( 0.5000000 0.2844453 -0.0000000), wk = 0.0018657 k( 99) = ( 0.5000000 0.2925723 -0.0000000), wk = 0.0018657 k( 100) = ( 0.5000000 0.3006993 -0.0000000), wk = 0.0018657 k( 101) = ( 0.5000000 0.3006993 -0.0000000), wk = 0.0018657 k( 102) = ( 0.4918033 0.3006993 -0.0000000), wk = 0.0018657 k( 103) = ( 0.4836066 0.3006993 -0.0000000), wk = 0.0018657 k( 104) = ( 0.4754098 0.3006993 -0.0000000), wk = 0.0018657 k( 105) = ( 0.4672131 0.3006993 -0.0000000), wk = 0.0018657 k( 106) = ( 0.4590164 0.3006993 -0.0000000), wk = 0.0018657 k( 107) = ( 0.4508197 0.3006993 -0.0000000), wk = 0.0018657 k( 108) = ( 0.4426230 0.3006993 -0.0000000), wk = 0.0018657 k( 109) = ( 0.4344262 0.3006993 -0.0000000), wk = 0.0018657 k( 110) = ( 0.4262295 0.3006993 -0.0000000), wk = 0.0018657 k( 111) = ( 0.4180328 0.3006993 -0.0000000), wk = 0.0018657 k( 112) = ( 0.4098361 0.3006993 -0.0000000), wk = 0.0018657 k( 113) = ( 0.4016393 0.3006993 -0.0000000), wk = 0.0018657 k( 114) = ( 0.3934426 0.3006993 -0.0000000), wk = 0.0018657 k( 115) = ( 0.3852459 0.3006993 -0.0000000), wk = 0.0018657 k( 116) = ( 0.3770492 0.3006993 -0.0000000), wk = 0.0018657 k( 117) = ( 0.3688525 0.3006993 -0.0000000), wk = 0.0018657 k( 118) = ( 0.3606557 0.3006993 -0.0000000), wk = 0.0018657 k( 119) = ( 0.3524590 0.3006993 -0.0000000), wk = 0.0018657 k( 120) = ( 0.3442623 0.3006993 -0.0000000), wk = 0.0018657 k( 121) = ( 0.3360656 0.3006993 -0.0000000), wk = 0.0018657 k( 122) = ( 0.3278688 0.3006993 -0.0000000), wk = 0.0018657 k( 123) = ( 0.3196721 0.3006993 -0.0000000), wk = 0.0018657 k( 124) = ( 0.3114754 0.3006993 -0.0000000), wk = 0.0018657 k( 125) = ( 0.3032787 0.3006993 -0.0000000), wk = 0.0018657 k( 126) = ( 0.2950820 0.3006993 -0.0000000), wk = 0.0018657 k( 127) = ( 0.2868852 0.3006993 -0.0000000), wk = 0.0018657 k( 128) = ( 0.2786885 0.3006993 -0.0000000), wk = 0.0018657 k( 129) = ( 0.2704918 0.3006993 -0.0000000), wk = 0.0018657 k( 130) = ( 0.2622951 0.3006993 -0.0000000), wk = 0.0018657 k( 131) = ( 0.2540984 0.3006993 -0.0000000), wk = 0.0018657 k( 132) = ( 0.2459016 0.3006993 -0.0000000), wk = 0.0018657 k( 133) = ( 0.2377049 0.3006993 -0.0000000), wk = 0.0018657 k( 134) = ( 0.2295082 0.3006993 -0.0000000), wk = 0.0018657 k( 135) = ( 0.2213115 0.3006993 -0.0000000), wk = 0.0018657 k( 136) = ( 0.2131147 0.3006993 -0.0000000), wk = 0.0018657 k( 137) = ( 0.2049180 0.3006993 -0.0000000), wk = 0.0018657 k( 138) = ( 0.1967213 0.3006993 -0.0000000), wk = 0.0018657 k( 139) = ( 0.1885246 0.3006993 -0.0000000), wk = 0.0018657 k( 140) = ( 0.1803279 0.3006993 -0.0000000), wk = 0.0018657 k( 141) = ( 0.1721312 0.3006993 -0.0000000), wk = 0.0018657 k( 142) = ( 0.1639344 0.3006993 -0.0000000), wk = 0.0018657 k( 143) = ( 0.1557377 0.3006993 -0.0000000), wk = 0.0018657 k( 144) = ( 0.1475410 0.3006993 -0.0000000), wk = 0.0018657 k( 145) = ( 0.1393443 0.3006993 -0.0000000), wk = 0.0018657 k( 146) = ( 0.1311475 0.3006993 -0.0000000), wk = 0.0018657 k( 147) = ( 0.1229508 0.3006993 -0.0000000), wk = 0.0018657 k( 148) = ( 0.1147541 0.3006993 -0.0000000), wk = 0.0018657 k( 149) = ( 0.1065574 0.3006993 -0.0000000), wk = 0.0018657 k( 150) = ( 0.0983607 0.3006993 -0.0000000), wk = 0.0018657 k( 151) = ( 0.0901639 0.3006993 -0.0000000), wk = 0.0018657 k( 152) = ( 0.0819672 0.3006993 -0.0000000), wk = 0.0018657 k( 153) = ( 0.0737705 0.3006993 -0.0000000), wk = 0.0018657 k( 154) = ( 0.0655738 0.3006993 -0.0000000), wk = 0.0018657 k( 155) = ( 0.0573770 0.3006993 -0.0000000), wk = 0.0018657 k( 156) = ( 0.0491803 0.3006993 -0.0000000), wk = 0.0018657 k( 157) = ( 0.0409836 0.3006993 -0.0000000), wk = 0.0018657 k( 158) = ( 0.0327869 0.3006993 -0.0000000), wk = 0.0018657 k( 159) = ( 0.0245902 0.3006993 -0.0000000), wk = 0.0018657 k( 160) = ( 0.0163934 0.3006993 -0.0000000), wk = 0.0018657 k( 161) = ( 0.0081967 0.3006993 -0.0000000), wk = 0.0018657 k( 162) = ( 0.0000000 0.3006993 -0.0000000), wk = 0.0018657 k( 163) = ( 0.0000000 0.3006993 -0.0000000), wk = 0.0018657 k( 164) = ( 0.0000000 0.2925723 -0.0000000), wk = 0.0018657 k( 165) = ( 0.0000000 0.2844453 -0.0000000), wk = 0.0018657 k( 166) = ( 0.0000000 0.2763183 -0.0000000), wk = 0.0018657 k( 167) = ( 0.0000000 0.2681913 -0.0000000), wk = 0.0018657 k( 168) = ( 0.0000000 0.2600643 -0.0000000), wk = 0.0018657 k( 169) = ( 0.0000000 0.2519373 -0.0000000), wk = 0.0018657 k( 170) = ( 0.0000000 0.2438102 -0.0000000), wk = 0.0018657 k( 171) = ( 0.0000000 0.2356832 -0.0000000), wk = 0.0018657 k( 172) = ( 0.0000000 0.2275562 -0.0000000), wk = 0.0018657 k( 173) = ( 0.0000000 0.2194292 -0.0000000), wk = 0.0018657 k( 174) = ( 0.0000000 0.2113022 -0.0000000), wk = 0.0018657 k( 175) = ( 0.0000000 0.2031752 -0.0000000), wk = 0.0018657 k( 176) = ( 0.0000000 0.1950482 -0.0000000), wk = 0.0018657 k( 177) = ( 0.0000000 0.1869212 -0.0000000), wk = 0.0018657 k( 178) = ( 0.0000000 0.1787942 -0.0000000), wk = 0.0018657 k( 179) = ( 0.0000000 0.1706672 -0.0000000), wk = 0.0018657 k( 180) = ( 0.0000000 0.1625402 -0.0000000), wk = 0.0018657 k( 181) = ( 0.0000000 0.1544132 -0.0000000), wk = 0.0018657 k( 182) = ( 0.0000000 0.1462861 -0.0000000), wk = 0.0018657 k( 183) = ( 0.0000000 0.1381591 -0.0000000), wk = 0.0018657 k( 184) = ( 0.0000000 0.1300321 -0.0000000), wk = 0.0018657 k( 185) = ( 0.0000000 0.1219051 -0.0000000), wk = 0.0018657 k( 186) = ( 0.0000000 0.1137781 -0.0000000), wk = 0.0018657 k( 187) = ( 0.0000000 0.1056511 -0.0000000), wk = 0.0018657 k( 188) = ( 0.0000000 0.0975241 -0.0000000), wk = 0.0018657 k( 189) = ( 0.0000000 0.0893971 -0.0000000), wk = 0.0018657 k( 190) = ( 0.0000000 0.0812701 -0.0000000), wk = 0.0018657 k( 191) = ( 0.0000000 0.0731431 -0.0000000), wk = 0.0018657 k( 192) = ( 0.0000000 0.0650161 -0.0000000), wk = 0.0018657 k( 193) = ( 0.0000000 0.0568891 -0.0000000), wk = 0.0018657 k( 194) = ( 0.0000000 0.0487620 -0.0000000), wk = 0.0018657 k( 195) = ( 0.0000000 0.0406350 -0.0000000), wk = 0.0018657 k( 196) = ( 0.0000000 0.0325080 -0.0000000), wk = 0.0018657 k( 197) = ( 0.0000000 0.0243810 -0.0000000), wk = 0.0018657 k( 198) = ( 0.0000000 0.0162540 -0.0000000), wk = 0.0018657 k( 199) = ( 0.0000000 0.0081270 -0.0000000), wk = 0.0018657 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 202) = ( 0.0000000 0.0000000 0.0082124), wk = 0.0018657 k( 203) = ( 0.0000000 0.0000000 0.0164248), wk = 0.0018657 k( 204) = ( 0.0000000 0.0000000 0.0246371), wk = 0.0018657 k( 205) = ( 0.0000000 0.0000000 0.0328495), wk = 0.0018657 k( 206) = ( 0.0000000 0.0000000 0.0410619), wk = 0.0018657 k( 207) = ( 0.0000000 0.0000000 0.0492743), wk = 0.0018657 k( 208) = ( 0.0000000 0.0000000 0.0574866), wk = 0.0018657 k( 209) = ( 0.0000000 0.0000000 0.0656990), wk = 0.0018657 k( 210) = ( 0.0000000 0.0000000 0.0739114), wk = 0.0018657 k( 211) = ( 0.0000000 0.0000000 0.0821238), wk = 0.0018657 k( 212) = ( 0.0000000 0.0000000 0.0903361), wk = 0.0018657 k( 213) = ( 0.0000000 0.0000000 0.0985485), wk = 0.0018657 k( 214) = ( 0.0000000 0.0000000 0.1067609), wk = 0.0018657 k( 215) = ( 0.0000000 0.0000000 0.1149733), wk = 0.0018657 k( 216) = ( 0.0000000 0.0000000 0.1231856), wk = 0.0018657 k( 217) = ( 0.0000000 0.0000000 0.1313980), wk = 0.0018657 k( 218) = ( 0.0000000 0.0000000 0.1396104), wk = 0.0018657 k( 219) = ( 0.0000000 0.0000000 0.1478228), wk = 0.0018657 k( 220) = ( 0.0000000 0.0000000 0.1560351), wk = 0.0018657 k( 221) = ( 0.0000000 0.0000000 0.1642475), wk = 0.0018657 k( 222) = ( 0.0000000 0.0000000 0.1724599), wk = 0.0018657 k( 223) = ( 0.0000000 0.0000000 0.1806723), wk = 0.0018657 k( 224) = ( 0.0000000 0.0000000 0.1888846), wk = 0.0018657 k( 225) = ( 0.0000000 0.0000000 0.1970970), wk = 0.0018657 k( 226) = ( 0.0000000 0.0000000 0.2053094), wk = 0.0018657 k( 227) = ( 0.0000000 0.0000000 0.2135218), wk = 0.0018657 k( 228) = ( 0.0000000 0.0000000 0.2217341), wk = 0.0018657 k( 229) = ( 0.0000000 0.0000000 0.2299465), wk = 0.0018657 k( 230) = ( 0.0000000 0.0000000 0.2381589), wk = 0.0018657 k( 231) = ( 0.0000000 0.0000000 0.2463713), wk = 0.0018657 k( 232) = ( 0.0000000 0.0000000 0.2545837), wk = 0.0018657 k( 233) = ( 0.0000000 0.0000000 0.2627960), wk = 0.0018657 k( 234) = ( 0.0000000 0.0000000 0.2710084), wk = 0.0018657 k( 235) = ( 0.0000000 0.0000000 0.2710084), wk = 0.0018657 k( 236) = ( 0.0081967 -0.0000000 0.2710084), wk = 0.0018657 k( 237) = ( 0.0163934 -0.0000000 0.2710084), wk = 0.0018657 k( 238) = ( 0.0245902 -0.0000000 0.2710084), wk = 0.0018657 k( 239) = ( 0.0327869 -0.0000000 0.2710084), wk = 0.0018657 k( 240) = ( 0.0409836 -0.0000000 0.2710084), wk = 0.0018657 k( 241) = ( 0.0491803 -0.0000000 0.2710084), wk = 0.0018657 k( 242) = ( 0.0573770 -0.0000000 0.2710084), wk = 0.0018657 k( 243) = ( 0.0655738 -0.0000000 0.2710084), wk = 0.0018657 k( 244) = ( 0.0737705 -0.0000000 0.2710084), wk = 0.0018657 k( 245) = ( 0.0819672 -0.0000000 0.2710084), wk = 0.0018657 k( 246) = ( 0.0901639 -0.0000000 0.2710084), wk = 0.0018657 k( 247) = ( 0.0983607 -0.0000000 0.2710084), wk = 0.0018657 k( 248) = ( 0.1065574 -0.0000000 0.2710084), wk = 0.0018657 k( 249) = ( 0.1147541 -0.0000000 0.2710084), wk = 0.0018657 k( 250) = ( 0.1229508 -0.0000000 0.2710084), wk = 0.0018657 k( 251) = ( 0.1311475 -0.0000000 0.2710084), wk = 0.0018657 k( 252) = ( 0.1393443 -0.0000000 0.2710084), wk = 0.0018657 k( 253) = ( 0.1475410 -0.0000000 0.2710084), wk = 0.0018657 k( 254) = ( 0.1557377 -0.0000000 0.2710084), wk = 0.0018657 k( 255) = ( 0.1639344 -0.0000000 0.2710084), wk = 0.0018657 k( 256) = ( 0.1721312 -0.0000000 0.2710084), wk = 0.0018657 k( 257) = ( 0.1803279 -0.0000000 0.2710084), wk = 0.0018657 k( 258) = ( 0.1885246 -0.0000000 0.2710084), wk = 0.0018657 k( 259) = ( 0.1967213 -0.0000000 0.2710084), wk = 0.0018657 k( 260) = ( 0.2049180 -0.0000000 0.2710084), wk = 0.0018657 k( 261) = ( 0.2131147 -0.0000000 0.2710084), wk = 0.0018657 k( 262) = ( 0.2213115 -0.0000000 0.2710084), wk = 0.0018657 k( 263) = ( 0.2295082 -0.0000000 0.2710084), wk = 0.0018657 k( 264) = ( 0.2377049 -0.0000000 0.2710084), wk = 0.0018657 k( 265) = ( 0.2459016 -0.0000000 0.2710084), wk = 0.0018657 k( 266) = ( 0.2540984 -0.0000000 0.2710084), wk = 0.0018657 k( 267) = ( 0.2622951 -0.0000000 0.2710084), wk = 0.0018657 k( 268) = ( 0.2704918 -0.0000000 0.2710084), wk = 0.0018657 k( 269) = ( 0.2786885 -0.0000000 0.2710084), wk = 0.0018657 k( 270) = ( 0.2868852 -0.0000000 0.2710084), wk = 0.0018657 k( 271) = ( 0.2950820 -0.0000000 0.2710084), wk = 0.0018657 k( 272) = ( 0.3032787 -0.0000000 0.2710084), wk = 0.0018657 k( 273) = ( 0.3114754 -0.0000000 0.2710084), wk = 0.0018657 k( 274) = ( 0.3196721 -0.0000000 0.2710084), wk = 0.0018657 k( 275) = ( 0.3278688 -0.0000000 0.2710084), wk = 0.0018657 k( 276) = ( 0.3360656 -0.0000000 0.2710084), wk = 0.0018657 k( 277) = ( 0.3442623 -0.0000000 0.2710084), wk = 0.0018657 k( 278) = ( 0.3524590 -0.0000000 0.2710084), wk = 0.0018657 k( 279) = ( 0.3606557 -0.0000000 0.2710084), wk = 0.0018657 k( 280) = ( 0.3688525 -0.0000000 0.2710084), wk = 0.0018657 k( 281) = ( 0.3770492 -0.0000000 0.2710084), wk = 0.0018657 k( 282) = ( 0.3852459 -0.0000000 0.2710084), wk = 0.0018657 k( 283) = ( 0.3934426 -0.0000000 0.2710084), wk = 0.0018657 k( 284) = ( 0.4016393 -0.0000000 0.2710084), wk = 0.0018657 k( 285) = ( 0.4098361 -0.0000000 0.2710084), wk = 0.0018657 k( 286) = ( 0.4180328 -0.0000000 0.2710084), wk = 0.0018657 k( 287) = ( 0.4262295 -0.0000000 0.2710084), wk = 0.0018657 k( 288) = ( 0.4344262 -0.0000000 0.2710084), wk = 0.0018657 k( 289) = ( 0.4426230 -0.0000000 0.2710084), wk = 0.0018657 k( 290) = ( 0.4508197 -0.0000000 0.2710084), wk = 0.0018657 k( 291) = ( 0.4590164 -0.0000000 0.2710084), wk = 0.0018657 k( 292) = ( 0.4672131 -0.0000000 0.2710084), wk = 0.0018657 k( 293) = ( 0.4754098 -0.0000000 0.2710084), wk = 0.0018657 k( 294) = ( 0.4836066 -0.0000000 0.2710084), wk = 0.0018657 k( 295) = ( 0.4918033 -0.0000000 0.2710084), wk = 0.0018657 k( 296) = ( 0.5000000 -0.0000000 0.2710084), wk = 0.0018657 k( 297) = ( 0.5000000 -0.0000000 0.2710084), wk = 0.0018657 k( 298) = ( 0.5000000 0.0081270 0.2710084), wk = 0.0018657 k( 299) = ( 0.5000000 0.0162540 0.2710084), wk = 0.0018657 k( 300) = ( 0.5000000 0.0243810 0.2710084), wk = 0.0018657 k( 301) = ( 0.5000000 0.0325080 0.2710084), wk = 0.0018657 k( 302) = ( 0.5000000 0.0406350 0.2710084), wk = 0.0018657 k( 303) = ( 0.5000000 0.0487620 0.2710084), wk = 0.0018657 k( 304) = ( 0.5000000 0.0568891 0.2710084), wk = 0.0018657 k( 305) = ( 0.5000000 0.0650161 0.2710084), wk = 0.0018657 k( 306) = ( 0.5000000 0.0731431 0.2710084), wk = 0.0018657 k( 307) = ( 0.5000000 0.0812701 0.2710084), wk = 0.0018657 k( 308) = ( 0.5000000 0.0893971 0.2710084), wk = 0.0018657 k( 309) = ( 0.5000000 0.0975241 0.2710084), wk = 0.0018657 k( 310) = ( 0.5000000 0.1056511 0.2710084), wk = 0.0018657 k( 311) = ( 0.5000000 0.1137781 0.2710084), wk = 0.0018657 k( 312) = ( 0.5000000 0.1219051 0.2710084), wk = 0.0018657 k( 313) = ( 0.5000000 0.1300321 0.2710084), wk = 0.0018657 k( 314) = ( 0.5000000 0.1381591 0.2710084), wk = 0.0018657 k( 315) = ( 0.5000000 0.1462861 0.2710084), wk = 0.0018657 k( 316) = ( 0.5000000 0.1544132 0.2710084), wk = 0.0018657 k( 317) = ( 0.5000000 0.1625402 0.2710084), wk = 0.0018657 k( 318) = ( 0.5000000 0.1706672 0.2710084), wk = 0.0018657 k( 319) = ( 0.5000000 0.1787942 0.2710084), wk = 0.0018657 k( 320) = ( 0.5000000 0.1869212 0.2710084), wk = 0.0018657 k( 321) = ( 0.5000000 0.1950482 0.2710084), wk = 0.0018657 k( 322) = ( 0.5000000 0.2031752 0.2710084), wk = 0.0018657 k( 323) = ( 0.5000000 0.2113022 0.2710084), wk = 0.0018657 k( 324) = ( 0.5000000 0.2194292 0.2710084), wk = 0.0018657 k( 325) = ( 0.5000000 0.2275562 0.2710084), wk = 0.0018657 k( 326) = ( 0.5000000 0.2356832 0.2710084), wk = 0.0018657 k( 327) = ( 0.5000000 0.2438102 0.2710084), wk = 0.0018657 k( 328) = ( 0.5000000 0.2519373 0.2710084), wk = 0.0018657 k( 329) = ( 0.5000000 0.2600643 0.2710084), wk = 0.0018657 k( 330) = ( 0.5000000 0.2681913 0.2710084), wk = 0.0018657 k( 331) = ( 0.5000000 0.2763183 0.2710084), wk = 0.0018657 k( 332) = ( 0.5000000 0.2844453 0.2710084), wk = 0.0018657 k( 333) = ( 0.5000000 0.2925723 0.2710084), wk = 0.0018657 k( 334) = ( 0.5000000 0.3006993 0.2710084), wk = 0.0018657 k( 335) = ( 0.5000000 0.3006993 0.2710084), wk = 0.0018657 k( 336) = ( 0.4918033 0.3006993 0.2710084), wk = 0.0018657 k( 337) = ( 0.4836066 0.3006993 0.2710084), wk = 0.0018657 k( 338) = ( 0.4754098 0.3006993 0.2710084), wk = 0.0018657 k( 339) = ( 0.4672131 0.3006993 0.2710084), wk = 0.0018657 k( 340) = ( 0.4590164 0.3006993 0.2710084), wk = 0.0018657 k( 341) = ( 0.4508197 0.3006993 0.2710084), wk = 0.0018657 k( 342) = ( 0.4426230 0.3006993 0.2710084), wk = 0.0018657 k( 343) = ( 0.4344262 0.3006993 0.2710084), wk = 0.0018657 k( 344) = ( 0.4262295 0.3006993 0.2710084), wk = 0.0018657 k( 345) = ( 0.4180328 0.3006993 0.2710084), wk = 0.0018657 k( 346) = ( 0.4098361 0.3006993 0.2710084), wk = 0.0018657 k( 347) = ( 0.4016393 0.3006993 0.2710084), wk = 0.0018657 k( 348) = ( 0.3934426 0.3006993 0.2710084), wk = 0.0018657 k( 349) = ( 0.3852459 0.3006993 0.2710084), wk = 0.0018657 k( 350) = ( 0.3770492 0.3006993 0.2710084), wk = 0.0018657 k( 351) = ( 0.3688525 0.3006993 0.2710084), wk = 0.0018657 k( 352) = ( 0.3606557 0.3006993 0.2710084), wk = 0.0018657 k( 353) = ( 0.3524590 0.3006993 0.2710084), wk = 0.0018657 k( 354) = ( 0.3442623 0.3006993 0.2710084), wk = 0.0018657 k( 355) = ( 0.3360656 0.3006993 0.2710084), wk = 0.0018657 k( 356) = ( 0.3278688 0.3006993 0.2710084), wk = 0.0018657 k( 357) = ( 0.3196721 0.3006993 0.2710084), wk = 0.0018657 k( 358) = ( 0.3114754 0.3006993 0.2710084), wk = 0.0018657 k( 359) = ( 0.3032787 0.3006993 0.2710084), wk = 0.0018657 k( 360) = ( 0.2950820 0.3006993 0.2710084), wk = 0.0018657 k( 361) = ( 0.2868852 0.3006993 0.2710084), wk = 0.0018657 k( 362) = ( 0.2786885 0.3006993 0.2710084), wk = 0.0018657 k( 363) = ( 0.2704918 0.3006993 0.2710084), wk = 0.0018657 k( 364) = ( 0.2622951 0.3006993 0.2710084), wk = 0.0018657 k( 365) = ( 0.2540984 0.3006993 0.2710084), wk = 0.0018657 k( 366) = ( 0.2459016 0.3006993 0.2710084), wk = 0.0018657 k( 367) = ( 0.2377049 0.3006993 0.2710084), wk = 0.0018657 k( 368) = ( 0.2295082 0.3006993 0.2710084), wk = 0.0018657 k( 369) = ( 0.2213115 0.3006993 0.2710084), wk = 0.0018657 k( 370) = ( 0.2131147 0.3006993 0.2710084), wk = 0.0018657 k( 371) = ( 0.2049180 0.3006993 0.2710084), wk = 0.0018657 k( 372) = ( 0.1967213 0.3006993 0.2710084), wk = 0.0018657 k( 373) = ( 0.1885246 0.3006993 0.2710084), wk = 0.0018657 k( 374) = ( 0.1803279 0.3006993 0.2710084), wk = 0.0018657 k( 375) = ( 0.1721312 0.3006993 0.2710084), wk = 0.0018657 k( 376) = ( 0.1639344 0.3006993 0.2710084), wk = 0.0018657 k( 377) = ( 0.1557377 0.3006993 0.2710084), wk = 0.0018657 k( 378) = ( 0.1475410 0.3006993 0.2710084), wk = 0.0018657 k( 379) = ( 0.1393443 0.3006993 0.2710084), wk = 0.0018657 k( 380) = ( 0.1311475 0.3006993 0.2710084), wk = 0.0018657 k( 381) = ( 0.1229508 0.3006993 0.2710084), wk = 0.0018657 k( 382) = ( 0.1147541 0.3006993 0.2710084), wk = 0.0018657 k( 383) = ( 0.1065574 0.3006993 0.2710084), wk = 0.0018657 k( 384) = ( 0.0983607 0.3006993 0.2710084), wk = 0.0018657 k( 385) = ( 0.0901639 0.3006993 0.2710084), wk = 0.0018657 k( 386) = ( 0.0819672 0.3006993 0.2710084), wk = 0.0018657 k( 387) = ( 0.0737705 0.3006993 0.2710084), wk = 0.0018657 k( 388) = ( 0.0655738 0.3006993 0.2710084), wk = 0.0018657 k( 389) = ( 0.0573770 0.3006993 0.2710084), wk = 0.0018657 k( 390) = ( 0.0491803 0.3006993 0.2710084), wk = 0.0018657 k( 391) = ( 0.0409836 0.3006993 0.2710084), wk = 0.0018657 k( 392) = ( 0.0327869 0.3006993 0.2710084), wk = 0.0018657 k( 393) = ( 0.0245902 0.3006993 0.2710084), wk = 0.0018657 k( 394) = ( 0.0163934 0.3006993 0.2710084), wk = 0.0018657 k( 395) = ( 0.0081967 0.3006993 0.2710084), wk = 0.0018657 k( 396) = ( 0.0000000 0.3006993 0.2710084), wk = 0.0018657 k( 397) = ( 0.0000000 0.3006993 0.2710084), wk = 0.0018657 k( 398) = ( 0.0000000 0.2925723 0.2710084), wk = 0.0018657 k( 399) = ( 0.0000000 0.2844453 0.2710084), wk = 0.0018657 k( 400) = ( 0.0000000 0.2763183 0.2710084), wk = 0.0018657 k( 401) = ( 0.0000000 0.2681913 0.2710084), wk = 0.0018657 k( 402) = ( 0.0000000 0.2600643 0.2710084), wk = 0.0018657 k( 403) = ( 0.0000000 0.2519373 0.2710084), wk = 0.0018657 k( 404) = ( 0.0000000 0.2438102 0.2710084), wk = 0.0018657 k( 405) = ( 0.0000000 0.2356832 0.2710084), wk = 0.0018657 k( 406) = ( 0.0000000 0.2275562 0.2710084), wk = 0.0018657 k( 407) = ( 0.0000000 0.2194292 0.2710084), wk = 0.0018657 k( 408) = ( 0.0000000 0.2113022 0.2710084), wk = 0.0018657 k( 409) = ( 0.0000000 0.2031752 0.2710084), wk = 0.0018657 k( 410) = ( 0.0000000 0.1950482 0.2710084), wk = 0.0018657 k( 411) = ( 0.0000000 0.1869212 0.2710084), wk = 0.0018657 k( 412) = ( 0.0000000 0.1787942 0.2710084), wk = 0.0018657 k( 413) = ( 0.0000000 0.1706672 0.2710084), wk = 0.0018657 k( 414) = ( 0.0000000 0.1625402 0.2710084), wk = 0.0018657 k( 415) = ( 0.0000000 0.1544132 0.2710084), wk = 0.0018657 k( 416) = ( 0.0000000 0.1462861 0.2710084), wk = 0.0018657 k( 417) = ( 0.0000000 0.1381591 0.2710084), wk = 0.0018657 k( 418) = ( 0.0000000 0.1300321 0.2710084), wk = 0.0018657 k( 419) = ( 0.0000000 0.1219051 0.2710084), wk = 0.0018657 k( 420) = ( 0.0000000 0.1137781 0.2710084), wk = 0.0018657 k( 421) = ( 0.0000000 0.1056511 0.2710084), wk = 0.0018657 k( 422) = ( 0.0000000 0.0975241 0.2710084), wk = 0.0018657 k( 423) = ( 0.0000000 0.0893971 0.2710084), wk = 0.0018657 k( 424) = ( 0.0000000 0.0812701 0.2710084), wk = 0.0018657 k( 425) = ( 0.0000000 0.0731431 0.2710084), wk = 0.0018657 k( 426) = ( 0.0000000 0.0650161 0.2710084), wk = 0.0018657 k( 427) = ( 0.0000000 0.0568891 0.2710084), wk = 0.0018657 k( 428) = ( 0.0000000 0.0487620 0.2710084), wk = 0.0018657 k( 429) = ( 0.0000000 0.0406350 0.2710084), wk = 0.0018657 k( 430) = ( 0.0000000 0.0325080 0.2710084), wk = 0.0018657 k( 431) = ( 0.0000000 0.0243810 0.2710084), wk = 0.0018657 k( 432) = ( 0.0000000 0.0162540 0.2710084), wk = 0.0018657 k( 433) = ( 0.0000000 0.0081270 0.2710084), wk = 0.0018657 k( 434) = ( 0.0000000 0.0000000 0.2710084), wk = 0.0018657 k( 435) = ( 0.0000000 0.3006993 -0.0000000), wk = 0.0018657 k( 436) = ( 0.0000000 0.3006993 0.0082124), wk = 0.0018657 k( 437) = ( 0.0000000 0.3006993 0.0164248), wk = 0.0018657 k( 438) = ( 0.0000000 0.3006993 0.0246371), wk = 0.0018657 k( 439) = ( 0.0000000 0.3006993 0.0328495), wk = 0.0018657 k( 440) = ( 0.0000000 0.3006993 0.0410619), wk = 0.0018657 k( 441) = ( 0.0000000 0.3006993 0.0492743), wk = 0.0018657 k( 442) = ( 0.0000000 0.3006993 0.0574866), wk = 0.0018657 k( 443) = ( 0.0000000 0.3006993 0.0656990), wk = 0.0018657 k( 444) = ( 0.0000000 0.3006993 0.0739114), wk = 0.0018657 k( 445) = ( 0.0000000 0.3006993 0.0821238), wk = 0.0018657 k( 446) = ( 0.0000000 0.3006993 0.0903361), wk = 0.0018657 k( 447) = ( 0.0000000 0.3006993 0.0985485), wk = 0.0018657 k( 448) = ( 0.0000000 0.3006993 0.1067609), wk = 0.0018657 k( 449) = ( 0.0000000 0.3006993 0.1149733), wk = 0.0018657 k( 450) = ( 0.0000000 0.3006993 0.1231856), wk = 0.0018657 k( 451) = ( 0.0000000 0.3006993 0.1313980), wk = 0.0018657 k( 452) = ( 0.0000000 0.3006993 0.1396104), wk = 0.0018657 k( 453) = ( 0.0000000 0.3006993 0.1478228), wk = 0.0018657 k( 454) = ( 0.0000000 0.3006993 0.1560351), wk = 0.0018657 k( 455) = ( 0.0000000 0.3006993 0.1642475), wk = 0.0018657 k( 456) = ( 0.0000000 0.3006993 0.1724599), wk = 0.0018657 k( 457) = ( 0.0000000 0.3006993 0.1806723), wk = 0.0018657 k( 458) = ( 0.0000000 0.3006993 0.1888846), wk = 0.0018657 k( 459) = ( 0.0000000 0.3006993 0.1970970), wk = 0.0018657 k( 460) = ( 0.0000000 0.3006993 0.2053094), wk = 0.0018657 k( 461) = ( 0.0000000 0.3006993 0.2135218), wk = 0.0018657 k( 462) = ( 0.0000000 0.3006993 0.2217341), wk = 0.0018657 k( 463) = ( 0.0000000 0.3006993 0.2299465), wk = 0.0018657 k( 464) = ( 0.0000000 0.3006993 0.2381589), wk = 0.0018657 k( 465) = ( 0.0000000 0.3006993 0.2463713), wk = 0.0018657 k( 466) = ( 0.0000000 0.3006993 0.2545837), wk = 0.0018657 k( 467) = ( 0.0000000 0.3006993 0.2627960), wk = 0.0018657 k( 468) = ( 0.0000000 0.3006993 0.2710084), wk = 0.0018657 k( 469) = ( 0.5000000 -0.0000000 0.2710084), wk = 0.0018657 k( 470) = ( 0.5000000 -0.0000000 0.2627960), wk = 0.0018657 k( 471) = ( 0.5000000 -0.0000000 0.2545837), wk = 0.0018657 k( 472) = ( 0.5000000 -0.0000000 0.2463713), wk = 0.0018657 k( 473) = ( 0.5000000 -0.0000000 0.2381589), wk = 0.0018657 k( 474) = ( 0.5000000 -0.0000000 0.2299465), wk = 0.0018657 k( 475) = ( 0.5000000 -0.0000000 0.2217341), wk = 0.0018657 k( 476) = ( 0.5000000 -0.0000000 0.2135218), wk = 0.0018657 k( 477) = ( 0.5000000 -0.0000000 0.2053094), wk = 0.0018657 k( 478) = ( 0.5000000 -0.0000000 0.1970970), wk = 0.0018657 k( 479) = ( 0.5000000 -0.0000000 0.1888846), wk = 0.0018657 k( 480) = ( 0.5000000 -0.0000000 0.1806723), wk = 0.0018657 k( 481) = ( 0.5000000 -0.0000000 0.1724599), wk = 0.0018657 k( 482) = ( 0.5000000 -0.0000000 0.1642475), wk = 0.0018657 k( 483) = ( 0.5000000 -0.0000000 0.1560351), wk = 0.0018657 k( 484) = ( 0.5000000 -0.0000000 0.1478228), wk = 0.0018657 k( 485) = ( 0.5000000 -0.0000000 0.1396104), wk = 0.0018657 k( 486) = ( 0.5000000 -0.0000000 0.1313980), wk = 0.0018657 k( 487) = ( 0.5000000 -0.0000000 0.1231856), wk = 0.0018657 k( 488) = ( 0.5000000 -0.0000000 0.1149733), wk = 0.0018657 k( 489) = ( 0.5000000 -0.0000000 0.1067609), wk = 0.0018657 k( 490) = ( 0.5000000 -0.0000000 0.0985485), wk = 0.0018657 k( 491) = ( 0.5000000 -0.0000000 0.0903361), wk = 0.0018657 k( 492) = ( 0.5000000 -0.0000000 0.0821238), wk = 0.0018657 k( 493) = ( 0.5000000 -0.0000000 0.0739114), wk = 0.0018657 k( 494) = ( 0.5000000 -0.0000000 0.0656990), wk = 0.0018657 k( 495) = ( 0.5000000 -0.0000000 0.0574866), wk = 0.0018657 k( 496) = ( 0.5000000 -0.0000000 0.0492743), wk = 0.0018657 k( 497) = ( 0.5000000 -0.0000000 0.0410619), wk = 0.0018657 k( 498) = ( 0.5000000 -0.0000000 0.0328495), wk = 0.0018657 k( 499) = ( 0.5000000 -0.0000000 0.0246371), wk = 0.0018657 k( 500) = ( 0.5000000 -0.0000000 0.0164248), wk = 0.0018657 k( 501) = ( 0.5000000 -0.0000000 0.0082124), wk = 0.0018657 k( 502) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018657 k( 503) = ( 0.5000000 0.3006993 -0.0000000), wk = 0.0018657 k( 504) = ( 0.5000000 0.3006993 0.0082124), wk = 0.0018657 k( 505) = ( 0.5000000 0.3006993 0.0164248), wk = 0.0018657 k( 506) = ( 0.5000000 0.3006993 0.0246371), wk = 0.0018657 k( 507) = ( 0.5000000 0.3006993 0.0328495), wk = 0.0018657 k( 508) = ( 0.5000000 0.3006993 0.0410619), wk = 0.0018657 k( 509) = ( 0.5000000 0.3006993 0.0492743), wk = 0.0018657 k( 510) = ( 0.5000000 0.3006993 0.0574866), wk = 0.0018657 k( 511) = ( 0.5000000 0.3006993 0.0656990), wk = 0.0018657 k( 512) = ( 0.5000000 0.3006993 0.0739114), wk = 0.0018657 k( 513) = ( 0.5000000 0.3006993 0.0821238), wk = 0.0018657 k( 514) = ( 0.5000000 0.3006993 0.0903361), wk = 0.0018657 k( 515) = ( 0.5000000 0.3006993 0.0985485), wk = 0.0018657 k( 516) = ( 0.5000000 0.3006993 0.1067609), wk = 0.0018657 k( 517) = ( 0.5000000 0.3006993 0.1149733), wk = 0.0018657 k( 518) = ( 0.5000000 0.3006993 0.1231856), wk = 0.0018657 k( 519) = ( 0.5000000 0.3006993 0.1313980), wk = 0.0018657 k( 520) = ( 0.5000000 0.3006993 0.1396104), wk = 0.0018657 k( 521) = ( 0.5000000 0.3006993 0.1478228), wk = 0.0018657 k( 522) = ( 0.5000000 0.3006993 0.1560351), wk = 0.0018657 k( 523) = ( 0.5000000 0.3006993 0.1642475), wk = 0.0018657 k( 524) = ( 0.5000000 0.3006993 0.1724599), wk = 0.0018657 k( 525) = ( 0.5000000 0.3006993 0.1806723), wk = 0.0018657 k( 526) = ( 0.5000000 0.3006993 0.1888846), wk = 0.0018657 k( 527) = ( 0.5000000 0.3006993 0.1970970), wk = 0.0018657 k( 528) = ( 0.5000000 0.3006993 0.2053094), wk = 0.0018657 k( 529) = ( 0.5000000 0.3006993 0.2135218), wk = 0.0018657 k( 530) = ( 0.5000000 0.3006993 0.2217341), wk = 0.0018657 k( 531) = ( 0.5000000 0.3006993 0.2299465), wk = 0.0018657 k( 532) = ( 0.5000000 0.3006993 0.2381589), wk = 0.0018657 k( 533) = ( 0.5000000 0.3006993 0.2463713), wk = 0.0018657 k( 534) = ( 0.5000000 0.3006993 0.2545837), wk = 0.0018657 k( 535) = ( 0.5000000 0.3006993 0.2627960), wk = 0.0018657 k( 536) = ( 0.5000000 0.3006993 0.2710084), wk = 0.0018657 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0081967 -0.0000000 0.0000000), wk = 0.0018657 k( 3) = ( 0.0163934 -0.0000000 0.0000000), wk = 0.0018657 k( 4) = ( 0.0245902 -0.0000000 0.0000000), wk = 0.0018657 k( 5) = ( 0.0327869 0.0000000 0.0000000), wk = 0.0018657 k( 6) = ( 0.0409836 0.0000000 0.0000000), wk = 0.0018657 k( 7) = ( 0.0491803 0.0000000 0.0000000), wk = 0.0018657 k( 8) = ( 0.0573770 -0.0000000 0.0000000), wk = 0.0018657 k( 9) = ( 0.0655738 0.0000000 0.0000000), wk = 0.0018657 k( 10) = ( 0.0737705 0.0000000 0.0000000), wk = 0.0018657 k( 11) = ( 0.0819672 0.0000000 0.0000000), wk = 0.0018657 k( 12) = ( 0.0901639 0.0000000 0.0000000), wk = 0.0018657 k( 13) = ( 0.0983607 0.0000000 0.0000000), wk = 0.0018657 k( 14) = ( 0.1065574 -0.0000000 0.0000000), wk = 0.0018657 k( 15) = ( 0.1147541 -0.0000000 0.0000000), wk = 0.0018657 k( 16) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0018657 k( 17) = ( 0.1311475 0.0000000 0.0000000), wk = 0.0018657 k( 18) = ( 0.1393443 0.0000000 0.0000000), wk = 0.0018657 k( 19) = ( 0.1475410 0.0000000 0.0000000), wk = 0.0018657 k( 20) = ( 0.1557377 -0.0000000 0.0000000), wk = 0.0018657 k( 21) = ( 0.1639344 -0.0000000 0.0000000), wk = 0.0018657 k( 22) = ( 0.1721312 0.0000000 -0.0000000), wk = 0.0018657 k( 23) = ( 0.1803279 0.0000000 0.0000000), wk = 0.0018657 k( 24) = ( 0.1885246 0.0000000 0.0000000), wk = 0.0018657 k( 25) = ( 0.1967213 0.0000000 0.0000000), wk = 0.0018657 k( 26) = ( 0.2049180 0.0000000 0.0000000), wk = 0.0018657 k( 27) = ( 0.2131147 0.0000000 0.0000000), wk = 0.0018657 k( 28) = ( 0.2213115 0.0000000 0.0000000), wk = 0.0018657 k( 29) = ( 0.2295082 -0.0000000 0.0000000), wk = 0.0018657 k( 30) = ( 0.2377049 -0.0000000 0.0000000), wk = 0.0018657 k( 31) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0018657 k( 32) = ( 0.2540984 0.0000000 0.0000000), wk = 0.0018657 k( 33) = ( 0.2622951 0.0000000 0.0000000), wk = 0.0018657 k( 34) = ( 0.2704918 0.0000000 0.0000000), wk = 0.0018657 k( 35) = ( 0.2786885 0.0000000 0.0000000), wk = 0.0018657 k( 36) = ( 0.2868852 0.0000000 0.0000000), wk = 0.0018657 k( 37) = ( 0.2950820 -0.0000000 0.0000000), wk = 0.0018657 k( 38) = ( 0.3032787 0.0000000 0.0000000), wk = 0.0018657 k( 39) = ( 0.3114754 0.0000000 0.0000000), wk = 0.0018657 k( 40) = ( 0.3196721 0.0000000 0.0000000), wk = 0.0018657 k( 41) = ( 0.3278688 0.0000000 0.0000000), wk = 0.0018657 k( 42) = ( 0.3360656 0.0000000 0.0000000), wk = 0.0018657 k( 43) = ( 0.3442623 0.0000000 -0.0000000), wk = 0.0018657 k( 44) = ( 0.3524590 0.0000000 0.0000000), wk = 0.0018657 k( 45) = ( 0.3606557 0.0000000 0.0000000), wk = 0.0018657 k( 46) = ( 0.3688525 0.0000000 0.0000000), wk = 0.0018657 k( 47) = ( 0.3770492 0.0000000 0.0000000), wk = 0.0018657 k( 48) = ( 0.3852459 0.0000000 0.0000000), wk = 0.0018657 k( 49) = ( 0.3934426 0.0000000 0.0000000), wk = 0.0018657 k( 50) = ( 0.4016393 0.0000000 0.0000000), wk = 0.0018657 k( 51) = ( 0.4098361 0.0000000 -0.0000000), wk = 0.0018657 k( 52) = ( 0.4180328 0.0000000 0.0000000), wk = 0.0018657 k( 53) = ( 0.4262295 0.0000000 0.0000000), wk = 0.0018657 k( 54) = ( 0.4344262 -0.0000000 0.0000000), wk = 0.0018657 k( 55) = ( 0.4426230 0.0000000 0.0000000), wk = 0.0018657 k( 56) = ( 0.4508197 0.0000000 0.0000000), wk = 0.0018657 k( 57) = ( 0.4590164 0.0000000 0.0000000), wk = 0.0018657 k( 58) = ( 0.4672131 0.0000000 0.0000000), wk = 0.0018657 k( 59) = ( 0.4754098 -0.0000000 0.0000000), wk = 0.0018657 k( 60) = ( 0.4836066 0.0000000 0.0000000), wk = 0.0018657 k( 61) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0018657 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018657 k( 63) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018657 k( 64) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0018657 k( 65) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0018657 k( 66) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0018657 k( 67) = ( 0.5000000 0.0540541 0.0000000), wk = 0.0018657 k( 68) = ( 0.5000000 0.0675676 0.0000000), wk = 0.0018657 k( 69) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0018657 k( 70) = ( 0.5000000 0.0945946 0.0000000), wk = 0.0018657 k( 71) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0018657 k( 72) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0018657 k( 73) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0018657 k( 74) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0018657 k( 75) = ( 0.5000000 0.1621622 0.0000000), wk = 0.0018657 k( 76) = ( 0.5000000 0.1756757 0.0000000), wk = 0.0018657 k( 77) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0018657 k( 78) = ( 0.5000000 0.2027027 0.0000000), wk = 0.0018657 k( 79) = ( 0.5000000 0.2162162 -0.0000000), wk = 0.0018657 k( 80) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0018657 k( 81) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0018657 k( 82) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0018657 k( 83) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0018657 k( 84) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0018657 k( 85) = ( 0.5000000 0.2972973 0.0000000), wk = 0.0018657 k( 86) = ( 0.5000000 0.3108108 0.0000000), wk = 0.0018657 k( 87) = ( 0.5000000 0.3243243 0.0000000), wk = 0.0018657 k( 88) = ( 0.5000000 0.3378378 0.0000000), wk = 0.0018657 k( 89) = ( 0.5000000 0.3513513 0.0000000), wk = 0.0018657 k( 90) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0018657 k( 91) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0018657 k( 92) = ( 0.5000000 0.3918919 0.0000000), wk = 0.0018657 k( 93) = ( 0.5000000 0.4054054 0.0000000), wk = 0.0018657 k( 94) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0018657 k( 95) = ( 0.5000000 0.4324324 -0.0000000), wk = 0.0018657 k( 96) = ( 0.5000000 0.4459459 -0.0000000), wk = 0.0018657 k( 97) = ( 0.5000000 0.4594595 0.0000000), wk = 0.0018657 k( 98) = ( 0.5000000 0.4729730 0.0000000), wk = 0.0018657 k( 99) = ( 0.5000000 0.4864865 0.0000000), wk = 0.0018657 k( 100) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018657 k( 101) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018657 k( 102) = ( 0.4918033 0.5000000 0.0000000), wk = 0.0018657 k( 103) = ( 0.4836066 0.5000000 0.0000000), wk = 0.0018657 k( 104) = ( 0.4754098 0.5000000 0.0000000), wk = 0.0018657 k( 105) = ( 0.4672131 0.5000000 0.0000000), wk = 0.0018657 k( 106) = ( 0.4590164 0.5000000 0.0000000), wk = 0.0018657 k( 107) = ( 0.4508197 0.5000000 0.0000000), wk = 0.0018657 k( 108) = ( 0.4426230 0.5000000 0.0000000), wk = 0.0018657 k( 109) = ( 0.4344262 0.5000000 0.0000000), wk = 0.0018657 k( 110) = ( 0.4262295 0.5000000 0.0000000), wk = 0.0018657 k( 111) = ( 0.4180328 0.5000000 0.0000000), wk = 0.0018657 k( 112) = ( 0.4098361 0.5000000 -0.0000000), wk = 0.0018657 k( 113) = ( 0.4016393 0.5000000 0.0000000), wk = 0.0018657 k( 114) = ( 0.3934426 0.5000000 0.0000000), wk = 0.0018657 k( 115) = ( 0.3852459 0.5000000 0.0000000), wk = 0.0018657 k( 116) = ( 0.3770492 0.5000000 0.0000000), wk = 0.0018657 k( 117) = ( 0.3688525 0.5000000 0.0000000), wk = 0.0018657 k( 118) = ( 0.3606557 0.5000000 0.0000000), wk = 0.0018657 k( 119) = ( 0.3524590 0.5000000 0.0000000), wk = 0.0018657 k( 120) = ( 0.3442623 0.5000000 0.0000000), wk = 0.0018657 k( 121) = ( 0.3360656 0.5000000 -0.0000000), wk = 0.0018657 k( 122) = ( 0.3278688 0.5000000 0.0000000), wk = 0.0018657 k( 123) = ( 0.3196721 0.5000000 0.0000000), wk = 0.0018657 k( 124) = ( 0.3114754 0.5000000 -0.0000000), wk = 0.0018657 k( 125) = ( 0.3032787 0.5000000 -0.0000000), wk = 0.0018657 k( 126) = ( 0.2950820 0.5000000 0.0000000), wk = 0.0018657 k( 127) = ( 0.2868852 0.5000000 0.0000000), wk = 0.0018657 k( 128) = ( 0.2786885 0.5000000 -0.0000000), wk = 0.0018657 k( 129) = ( 0.2704918 0.5000000 -0.0000000), wk = 0.0018657 k( 130) = ( 0.2622951 0.5000000 0.0000000), wk = 0.0018657 k( 131) = ( 0.2540984 0.5000000 0.0000000), wk = 0.0018657 k( 132) = ( 0.2459016 0.5000000 0.0000000), wk = 0.0018657 k( 133) = ( 0.2377049 0.5000000 0.0000000), wk = 0.0018657 k( 134) = ( 0.2295082 0.5000000 0.0000000), wk = 0.0018657 k( 135) = ( 0.2213115 0.5000000 0.0000000), wk = 0.0018657 k( 136) = ( 0.2131147 0.5000000 0.0000000), wk = 0.0018657 k( 137) = ( 0.2049180 0.5000000 0.0000000), wk = 0.0018657 k( 138) = ( 0.1967213 0.5000000 0.0000000), wk = 0.0018657 k( 139) = ( 0.1885246 0.5000000 0.0000000), wk = 0.0018657 k( 140) = ( 0.1803279 0.5000000 0.0000000), wk = 0.0018657 k( 141) = ( 0.1721312 0.5000000 0.0000000), wk = 0.0018657 k( 142) = ( 0.1639344 0.5000000 -0.0000000), wk = 0.0018657 k( 143) = ( 0.1557377 0.5000000 0.0000000), wk = 0.0018657 k( 144) = ( 0.1475410 0.5000000 0.0000000), wk = 0.0018657 k( 145) = ( 0.1393443 0.5000000 0.0000000), wk = 0.0018657 k( 146) = ( 0.1311475 0.5000000 0.0000000), wk = 0.0018657 k( 147) = ( 0.1229508 0.5000000 0.0000000), wk = 0.0018657 k( 148) = ( 0.1147541 0.5000000 0.0000000), wk = 0.0018657 k( 149) = ( 0.1065574 0.5000000 0.0000000), wk = 0.0018657 k( 150) = ( 0.0983607 0.5000000 0.0000000), wk = 0.0018657 k( 151) = ( 0.0901639 0.5000000 0.0000000), wk = 0.0018657 k( 152) = ( 0.0819672 0.5000000 0.0000000), wk = 0.0018657 k( 153) = ( 0.0737705 0.5000000 0.0000000), wk = 0.0018657 k( 154) = ( 0.0655738 0.5000000 0.0000000), wk = 0.0018657 k( 155) = ( 0.0573770 0.5000000 -0.0000000), wk = 0.0018657 k( 156) = ( 0.0491803 0.5000000 0.0000000), wk = 0.0018657 k( 157) = ( 0.0409836 0.5000000 0.0000000), wk = 0.0018657 k( 158) = ( 0.0327869 0.5000000 -0.0000000), wk = 0.0018657 k( 159) = ( 0.0245902 0.5000000 0.0000000), wk = 0.0018657 k( 160) = ( 0.0163934 0.5000000 0.0000000), wk = 0.0018657 k( 161) = ( 0.0081967 0.5000000 0.0000000), wk = 0.0018657 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018657 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018657 k( 164) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0018657 k( 165) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0018657 k( 166) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0018657 k( 167) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0018657 k( 168) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0018657 k( 169) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0018657 k( 170) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0018657 k( 171) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0018657 k( 172) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0018657 k( 173) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0018657 k( 174) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0018657 k( 175) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0018657 k( 176) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0018657 k( 177) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0018657 k( 178) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0018657 k( 179) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0018657 k( 180) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0018657 k( 181) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0018657 k( 182) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0018657 k( 183) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0018657 k( 184) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0018657 k( 185) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0018657 k( 186) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0018657 k( 187) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0018657 k( 188) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0018657 k( 189) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0018657 k( 190) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0018657 k( 191) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0018657 k( 192) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0018657 k( 193) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0018657 k( 194) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0018657 k( 195) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0018657 k( 196) = ( 0.0000000 0.0540541 0.0000000), wk = 0.0018657 k( 197) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0018657 k( 198) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0018657 k( 199) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0018657 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 202) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0018657 k( 203) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0018657 k( 204) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0018657 k( 205) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0018657 k( 206) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0018657 k( 207) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0018657 k( 208) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0018657 k( 209) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0018657 k( 210) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0018657 k( 211) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0018657 k( 212) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018657 k( 213) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0018657 k( 214) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0018657 k( 215) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0018657 k( 216) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0018657 k( 217) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0018657 k( 218) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0018657 k( 219) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0018657 k( 220) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0018657 k( 221) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0018657 k( 222) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0018657 k( 223) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018657 k( 224) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0018657 k( 225) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0018657 k( 226) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0018657 k( 227) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0018657 k( 228) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0018657 k( 229) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0018657 k( 230) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0018657 k( 231) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0018657 k( 232) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0018657 k( 233) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0018657 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 236) = ( 0.0081967 -0.0000000 0.5000000), wk = 0.0018657 k( 237) = ( 0.0163934 -0.0000000 0.5000000), wk = 0.0018657 k( 238) = ( 0.0245902 -0.0000000 0.5000000), wk = 0.0018657 k( 239) = ( 0.0327869 0.0000000 0.5000000), wk = 0.0018657 k( 240) = ( 0.0409836 0.0000000 0.5000000), wk = 0.0018657 k( 241) = ( 0.0491803 0.0000000 0.5000000), wk = 0.0018657 k( 242) = ( 0.0573770 -0.0000000 0.5000000), wk = 0.0018657 k( 243) = ( 0.0655738 0.0000000 0.5000000), wk = 0.0018657 k( 244) = ( 0.0737705 0.0000000 0.5000000), wk = 0.0018657 k( 245) = ( 0.0819672 0.0000000 0.5000000), wk = 0.0018657 k( 246) = ( 0.0901639 0.0000000 0.5000000), wk = 0.0018657 k( 247) = ( 0.0983607 0.0000000 0.5000000), wk = 0.0018657 k( 248) = ( 0.1065574 -0.0000000 0.5000000), wk = 0.0018657 k( 249) = ( 0.1147541 -0.0000000 0.5000000), wk = 0.0018657 k( 250) = ( 0.1229508 0.0000000 0.5000000), wk = 0.0018657 k( 251) = ( 0.1311475 0.0000000 0.5000000), wk = 0.0018657 k( 252) = ( 0.1393443 0.0000000 0.5000000), wk = 0.0018657 k( 253) = ( 0.1475410 0.0000000 0.5000000), wk = 0.0018657 k( 254) = ( 0.1557377 -0.0000000 0.5000000), wk = 0.0018657 k( 255) = ( 0.1639344 -0.0000000 0.5000000), wk = 0.0018657 k( 256) = ( 0.1721312 0.0000000 0.5000000), wk = 0.0018657 k( 257) = ( 0.1803279 0.0000000 0.5000000), wk = 0.0018657 k( 258) = ( 0.1885246 0.0000000 0.5000000), wk = 0.0018657 k( 259) = ( 0.1967213 0.0000000 0.5000000), wk = 0.0018657 k( 260) = ( 0.2049180 0.0000000 0.5000000), wk = 0.0018657 k( 261) = ( 0.2131147 0.0000000 0.5000000), wk = 0.0018657 k( 262) = ( 0.2213115 0.0000000 0.5000000), wk = 0.0018657 k( 263) = ( 0.2295082 -0.0000000 0.5000000), wk = 0.0018657 k( 264) = ( 0.2377049 -0.0000000 0.5000000), wk = 0.0018657 k( 265) = ( 0.2459016 0.0000000 0.5000000), wk = 0.0018657 k( 266) = ( 0.2540984 0.0000000 0.5000000), wk = 0.0018657 k( 267) = ( 0.2622951 0.0000000 0.5000000), wk = 0.0018657 k( 268) = ( 0.2704918 0.0000000 0.5000000), wk = 0.0018657 k( 269) = ( 0.2786885 0.0000000 0.5000000), wk = 0.0018657 k( 270) = ( 0.2868852 0.0000000 0.5000000), wk = 0.0018657 k( 271) = ( 0.2950820 -0.0000000 0.5000000), wk = 0.0018657 k( 272) = ( 0.3032787 0.0000000 0.5000000), wk = 0.0018657 k( 273) = ( 0.3114754 0.0000000 0.5000000), wk = 0.0018657 k( 274) = ( 0.3196721 0.0000000 0.5000000), wk = 0.0018657 k( 275) = ( 0.3278688 0.0000000 0.5000000), wk = 0.0018657 k( 276) = ( 0.3360656 0.0000000 0.5000000), wk = 0.0018657 k( 277) = ( 0.3442623 0.0000000 0.5000000), wk = 0.0018657 k( 278) = ( 0.3524590 0.0000000 0.5000000), wk = 0.0018657 k( 279) = ( 0.3606557 0.0000000 0.5000000), wk = 0.0018657 k( 280) = ( 0.3688525 0.0000000 0.5000000), wk = 0.0018657 k( 281) = ( 0.3770492 0.0000000 0.5000000), wk = 0.0018657 k( 282) = ( 0.3852459 0.0000000 0.5000000), wk = 0.0018657 k( 283) = ( 0.3934426 0.0000000 0.5000000), wk = 0.0018657 k( 284) = ( 0.4016393 0.0000000 0.5000000), wk = 0.0018657 k( 285) = ( 0.4098361 0.0000000 0.5000000), wk = 0.0018657 k( 286) = ( 0.4180328 0.0000000 0.5000000), wk = 0.0018657 k( 287) = ( 0.4262295 0.0000000 0.5000000), wk = 0.0018657 k( 288) = ( 0.4344262 -0.0000000 0.5000000), wk = 0.0018657 k( 289) = ( 0.4426230 0.0000000 0.5000000), wk = 0.0018657 k( 290) = ( 0.4508197 0.0000000 0.5000000), wk = 0.0018657 k( 291) = ( 0.4590164 0.0000000 0.5000000), wk = 0.0018657 k( 292) = ( 0.4672131 0.0000000 0.5000000), wk = 0.0018657 k( 293) = ( 0.4754098 -0.0000000 0.5000000), wk = 0.0018657 k( 294) = ( 0.4836066 0.0000000 0.5000000), wk = 0.0018657 k( 295) = ( 0.4918033 0.0000000 0.5000000), wk = 0.0018657 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 297) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 298) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0018657 k( 299) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0018657 k( 300) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0018657 k( 301) = ( 0.5000000 0.0540541 0.5000000), wk = 0.0018657 k( 302) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0018657 k( 303) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0018657 k( 304) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0018657 k( 305) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0018657 k( 306) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0018657 k( 307) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0018657 k( 308) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0018657 k( 309) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0018657 k( 310) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0018657 k( 311) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0018657 k( 312) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0018657 k( 313) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0018657 k( 314) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0018657 k( 315) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0018657 k( 316) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0018657 k( 317) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0018657 k( 318) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0018657 k( 319) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0018657 k( 320) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0018657 k( 321) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0018657 k( 322) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0018657 k( 323) = ( 0.5000000 0.3513513 0.5000000), wk = 0.0018657 k( 324) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0018657 k( 325) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0018657 k( 326) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0018657 k( 327) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0018657 k( 328) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0018657 k( 329) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0018657 k( 330) = ( 0.5000000 0.4459459 0.5000000), wk = 0.0018657 k( 331) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0018657 k( 332) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0018657 k( 333) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0018657 k( 334) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 335) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 336) = ( 0.4918033 0.5000000 0.5000000), wk = 0.0018657 k( 337) = ( 0.4836066 0.5000000 0.5000000), wk = 0.0018657 k( 338) = ( 0.4754098 0.5000000 0.5000000), wk = 0.0018657 k( 339) = ( 0.4672131 0.5000000 0.5000000), wk = 0.0018657 k( 340) = ( 0.4590164 0.5000000 0.5000000), wk = 0.0018657 k( 341) = ( 0.4508197 0.5000000 0.5000000), wk = 0.0018657 k( 342) = ( 0.4426230 0.5000000 0.5000000), wk = 0.0018657 k( 343) = ( 0.4344262 0.5000000 0.5000000), wk = 0.0018657 k( 344) = ( 0.4262295 0.5000000 0.5000000), wk = 0.0018657 k( 345) = ( 0.4180328 0.5000000 0.5000000), wk = 0.0018657 k( 346) = ( 0.4098361 0.5000000 0.5000000), wk = 0.0018657 k( 347) = ( 0.4016393 0.5000000 0.5000000), wk = 0.0018657 k( 348) = ( 0.3934426 0.5000000 0.5000000), wk = 0.0018657 k( 349) = ( 0.3852459 0.5000000 0.5000000), wk = 0.0018657 k( 350) = ( 0.3770492 0.5000000 0.5000000), wk = 0.0018657 k( 351) = ( 0.3688525 0.5000000 0.5000000), wk = 0.0018657 k( 352) = ( 0.3606557 0.5000000 0.5000000), wk = 0.0018657 k( 353) = ( 0.3524590 0.5000000 0.5000000), wk = 0.0018657 k( 354) = ( 0.3442623 0.5000000 0.5000000), wk = 0.0018657 k( 355) = ( 0.3360656 0.5000000 0.5000000), wk = 0.0018657 k( 356) = ( 0.3278688 0.5000000 0.5000000), wk = 0.0018657 k( 357) = ( 0.3196721 0.5000000 0.5000000), wk = 0.0018657 k( 358) = ( 0.3114754 0.5000000 0.5000000), wk = 0.0018657 k( 359) = ( 0.3032787 0.5000000 0.5000000), wk = 0.0018657 k( 360) = ( 0.2950820 0.5000000 0.5000000), wk = 0.0018657 k( 361) = ( 0.2868852 0.5000000 0.5000000), wk = 0.0018657 k( 362) = ( 0.2786885 0.5000000 0.5000000), wk = 0.0018657 k( 363) = ( 0.2704918 0.5000000 0.5000000), wk = 0.0018657 k( 364) = ( 0.2622951 0.5000000 0.5000000), wk = 0.0018657 k( 365) = ( 0.2540984 0.5000000 0.5000000), wk = 0.0018657 k( 366) = ( 0.2459016 0.5000000 0.5000000), wk = 0.0018657 k( 367) = ( 0.2377049 0.5000000 0.5000000), wk = 0.0018657 k( 368) = ( 0.2295082 0.5000000 0.5000000), wk = 0.0018657 k( 369) = ( 0.2213115 0.5000000 0.5000000), wk = 0.0018657 k( 370) = ( 0.2131147 0.5000000 0.5000000), wk = 0.0018657 k( 371) = ( 0.2049180 0.5000000 0.5000000), wk = 0.0018657 k( 372) = ( 0.1967213 0.5000000 0.5000000), wk = 0.0018657 k( 373) = ( 0.1885246 0.5000000 0.5000000), wk = 0.0018657 k( 374) = ( 0.1803279 0.5000000 0.5000000), wk = 0.0018657 k( 375) = ( 0.1721312 0.5000000 0.5000000), wk = 0.0018657 k( 376) = ( 0.1639344 0.5000000 0.5000000), wk = 0.0018657 k( 377) = ( 0.1557377 0.5000000 0.5000000), wk = 0.0018657 k( 378) = ( 0.1475410 0.5000000 0.5000000), wk = 0.0018657 k( 379) = ( 0.1393443 0.5000000 0.5000000), wk = 0.0018657 k( 380) = ( 0.1311475 0.5000000 0.5000000), wk = 0.0018657 k( 381) = ( 0.1229508 0.5000000 0.5000000), wk = 0.0018657 k( 382) = ( 0.1147541 0.5000000 0.5000000), wk = 0.0018657 k( 383) = ( 0.1065574 0.5000000 0.5000000), wk = 0.0018657 k( 384) = ( 0.0983607 0.5000000 0.5000000), wk = 0.0018657 k( 385) = ( 0.0901639 0.5000000 0.5000000), wk = 0.0018657 k( 386) = ( 0.0819672 0.5000000 0.5000000), wk = 0.0018657 k( 387) = ( 0.0737705 0.5000000 0.5000000), wk = 0.0018657 k( 388) = ( 0.0655738 0.5000000 0.5000000), wk = 0.0018657 k( 389) = ( 0.0573770 0.5000000 0.5000000), wk = 0.0018657 k( 390) = ( 0.0491803 0.5000000 0.5000000), wk = 0.0018657 k( 391) = ( 0.0409836 0.5000000 0.5000000), wk = 0.0018657 k( 392) = ( 0.0327869 0.5000000 0.5000000), wk = 0.0018657 k( 393) = ( 0.0245902 0.5000000 0.5000000), wk = 0.0018657 k( 394) = ( 0.0163934 0.5000000 0.5000000), wk = 0.0018657 k( 395) = ( 0.0081967 0.5000000 0.5000000), wk = 0.0018657 k( 396) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 397) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 398) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0018657 k( 399) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0018657 k( 400) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0018657 k( 401) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0018657 k( 402) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0018657 k( 403) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0018657 k( 404) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0018657 k( 405) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0018657 k( 406) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0018657 k( 407) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0018657 k( 408) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0018657 k( 409) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0018657 k( 410) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0018657 k( 411) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0018657 k( 412) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0018657 k( 413) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0018657 k( 414) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0018657 k( 415) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0018657 k( 416) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0018657 k( 417) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0018657 k( 418) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0018657 k( 419) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0018657 k( 420) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0018657 k( 421) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0018657 k( 422) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0018657 k( 423) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0018657 k( 424) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0018657 k( 425) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0018657 k( 426) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0018657 k( 427) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0018657 k( 428) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0018657 k( 429) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0018657 k( 430) = ( 0.0000000 0.0540541 0.5000000), wk = 0.0018657 k( 431) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0018657 k( 432) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0018657 k( 433) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0018657 k( 434) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 435) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018657 k( 436) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0018657 k( 437) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0018657 k( 438) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0018657 k( 439) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0018657 k( 440) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0018657 k( 441) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0018657 k( 442) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0018657 k( 443) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0018657 k( 444) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0018657 k( 445) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0018657 k( 446) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0018657 k( 447) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0018657 k( 448) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0018657 k( 449) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0018657 k( 450) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0018657 k( 451) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0018657 k( 452) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0018657 k( 453) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0018657 k( 454) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0018657 k( 455) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0018657 k( 456) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0018657 k( 457) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0018657 k( 458) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0018657 k( 459) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0018657 k( 460) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0018657 k( 461) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0018657 k( 462) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0018657 k( 463) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0018657 k( 464) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0018657 k( 465) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0018657 k( 466) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0018657 k( 467) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0018657 k( 468) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 469) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018657 k( 470) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0018657 k( 471) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0018657 k( 472) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0018657 k( 473) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0018657 k( 474) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0018657 k( 475) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0018657 k( 476) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0018657 k( 477) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0018657 k( 478) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0018657 k( 479) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0018657 k( 480) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0018657 k( 481) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0018657 k( 482) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0018657 k( 483) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0018657 k( 484) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0018657 k( 485) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0018657 k( 486) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0018657 k( 487) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0018657 k( 488) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0018657 k( 489) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0018657 k( 490) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0018657 k( 491) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0018657 k( 492) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0018657 k( 493) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0018657 k( 494) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0018657 k( 495) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0018657 k( 496) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0018657 k( 497) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0018657 k( 498) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0018657 k( 499) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0018657 k( 500) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0018657 k( 501) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0018657 k( 502) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018657 k( 503) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018657 k( 504) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0018657 k( 505) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0018657 k( 506) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0018657 k( 507) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0018657 k( 508) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0018657 k( 509) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0018657 k( 510) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0018657 k( 511) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0018657 k( 512) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0018657 k( 513) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0018657 k( 514) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0018657 k( 515) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0018657 k( 516) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0018657 k( 517) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0018657 k( 518) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0018657 k( 519) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0018657 k( 520) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0018657 k( 521) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0018657 k( 522) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0018657 k( 523) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0018657 k( 524) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0018657 k( 525) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0018657 k( 526) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0018657 k( 527) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0018657 k( 528) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0018657 k( 529) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0018657 k( 530) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0018657 k( 531) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0018657 k( 532) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0018657 k( 533) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0018657 k( 534) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0018657 k( 535) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0018657 k( 536) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018657 Dense grid: 35151 G-vectors FFT dimensions: ( 27, 48, 54) Smooth grid: 14015 G-vectors FFT dimensions: ( 24, 36, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 90, 40) NL pseudopotentials 0.08 Mb ( 45, 112) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 735) G-vector shells 0.00 Mb ( 378) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 90, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./BN.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 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 40.6 secs Computing kpt #: 3 total cpu time spent up to now is 41.6 secs Computing kpt #: 4 total cpu time spent up to now is 42.5 secs Computing kpt #: 5 total cpu time spent up to now is 43.3 secs Computing kpt #: 6 total cpu time spent up to now is 44.1 secs Computing kpt #: 7 total cpu time spent up to now is 44.9 secs Computing kpt #: 8 total cpu time spent up to now is 45.6 secs Computing kpt #: 9 total cpu time spent up to now is 46.3 secs Computing kpt #: 10 total cpu time spent up to now is 47.0 secs Computing kpt #: 11 total cpu time spent up to now is 47.7 secs Computing kpt #: 12 total cpu time spent up to now is 48.4 secs Computing kpt #: 13 total cpu time spent up to now is 49.1 secs Computing kpt #: 14 total cpu time spent up to now is 49.8 secs Computing kpt #: 15 total cpu time spent up to now is 50.5 secs Computing kpt #: 16 total cpu time spent up to now is 51.3 secs Computing kpt #: 17 total cpu time spent up to now is 52.1 secs Computing kpt #: 18 total cpu time spent up to now is 53.0 secs Computing kpt #: 19 total cpu time spent up to now is 54.2 secs Computing kpt #: 20 total cpu time spent up to now is 55.3 secs Computing kpt #: 21 total cpu time spent up to now is 56.5 secs Computing kpt #: 22 total cpu time spent up to now is 57.8 secs Computing kpt #: 23 total cpu time spent up to now is 59.5 secs Computing kpt #: 24 total cpu time spent up to now is 60.7 secs Computing kpt #: 25 total cpu time spent up to now is 61.7 secs Computing kpt #: 26 total cpu time spent up to now is 62.6 secs Computing kpt #: 27 total cpu time spent up to now is 63.6 secs Computing kpt #: 28 total cpu time spent up to now is 64.9 secs Computing kpt #: 29 total cpu time spent up to now is 65.9 secs Computing kpt #: 30 total cpu time spent up to now is 66.8 secs Computing kpt #: 31 total cpu time spent up to now is 67.7 secs Computing kpt #: 32 total cpu time spent up to now is 68.6 secs Computing kpt #: 33 total cpu time spent up to now is 69.5 secs Computing kpt #: 34 total cpu time spent up to now is 70.3 secs Computing kpt #: 35 total cpu time spent up to now is 71.0 secs Computing kpt #: 36 total cpu time spent up to now is 71.7 secs Computing kpt #: 37 total cpu time spent up to now is 72.3 secs Computing kpt #: 38 total cpu time spent up to now is 72.9 secs Computing kpt #: 39 total cpu time spent up to now is 73.6 secs Computing kpt #: 40 total cpu time spent up to now is 74.3 secs Computing kpt #: 41 total cpu time spent up to now is 75.0 secs Computing kpt #: 42 total cpu time spent up to now is 75.8 secs Computing kpt #: 43 total cpu time spent up to now is 76.5 secs Computing kpt #: 44 total cpu time spent up to now is 77.2 secs Computing kpt #: 45 total cpu time spent up to now is 78.0 secs Computing kpt #: 46 total cpu time spent up to now is 78.6 secs Computing kpt #: 47 total cpu time spent up to now is 79.3 secs Computing kpt #: 48 total cpu time spent up to now is 80.0 secs Computing kpt #: 49 total cpu time spent up to now is 80.7 secs Computing kpt #: 50 total cpu time spent up to now is 81.4 secs Computing kpt #: 51 total cpu time spent up to now is 82.0 secs Computing kpt #: 52 total cpu time spent up to now is 82.7 secs Computing kpt #: 53 total cpu time spent up to now is 83.3 secs Computing kpt #: 54 total cpu time spent up to now is 83.9 secs Computing kpt #: 55 total cpu time spent up to now is 84.4 secs Computing kpt #: 56 total cpu time spent up to now is 84.9 secs Computing kpt #: 57 total cpu time spent up to now is 85.4 secs Computing kpt #: 58 total cpu time spent up to now is 85.9 secs Computing kpt #: 59 total cpu time spent up to now is 86.5 secs Computing kpt #: 60 total cpu time spent up to now is 87.1 secs Computing kpt #: 61 total cpu time spent up to now is 87.6 secs Computing kpt #: 62 total cpu time spent up to now is 88.1 secs Computing kpt #: 63 total cpu time spent up to now is 88.7 secs Computing kpt #: 64 total cpu time spent up to now is 89.2 secs Computing kpt #: 65 total cpu time spent up to now is 89.7 secs Computing kpt #: 66 total cpu time spent up to now is 90.2 secs Computing kpt #: 67 total cpu time spent up to now is 90.7 secs Computing kpt #: 68 total cpu time spent up to now is 91.2 secs Computing kpt #: 69 total cpu time spent up to now is 91.7 secs Computing kpt #: 70 total cpu time spent up to now is 92.3 secs Computing kpt #: 71 total cpu time spent up to now is 92.8 secs Computing kpt #: 72 total cpu time spent up to now is 93.4 secs Computing kpt #: 73 total cpu time spent up to now is 94.1 secs Computing kpt #: 74 total cpu time spent up to now is 94.8 secs Computing kpt #: 75 total cpu time spent up to now is 95.5 secs Computing kpt #: 76 total cpu time spent up to now is 96.1 secs Computing kpt #: 77 total cpu time spent up to now is 96.8 secs Computing kpt #: 78 total cpu time spent up to now is 97.4 secs Computing kpt #: 79 total cpu time spent up to now is 98.2 secs Computing kpt #: 80 total cpu time spent up to now is 99.1 secs Computing kpt #: 81 total cpu time spent up to now is 99.7 secs Computing kpt #: 82 total cpu time spent up to now is 100.5 secs Computing kpt #: 83 total cpu time spent up to now is 101.1 secs Computing kpt #: 84 total cpu time spent up to now is 101.8 secs Computing kpt #: 85 total cpu time spent up to now is 102.7 secs Computing kpt #: 86 total cpu time spent up to now is 103.4 secs Computing kpt #: 87 total cpu time spent up to now is 104.2 secs Computing kpt #: 88 total cpu time spent up to now is 104.9 secs Computing kpt #: 89 total cpu time spent up to now is 105.7 secs Computing kpt #: 90 total cpu time spent up to now is 106.5 secs Computing kpt #: 91 total cpu time spent up to now is 107.3 secs Computing kpt #: 92 total cpu time spent up to now is 108.2 secs Computing kpt #: 93 total cpu time spent up to now is 109.0 secs Computing kpt #: 94 total cpu time spent up to now is 109.7 secs Computing kpt #: 95 total cpu time spent up to now is 110.5 secs Computing kpt #: 96 total cpu time spent up to now is 111.3 secs Computing kpt #: 97 total cpu time spent up to now is 112.0 secs Computing kpt #: 98 total cpu time spent up to now is 112.8 secs Computing kpt #: 99 total cpu time spent up to now is 113.5 secs Computing kpt #: 100 total cpu time spent up to now is 114.1 secs Computing kpt #: 101 total cpu time spent up to now is 114.8 secs Computing kpt #: 102 total cpu time spent up to now is 115.5 secs Computing kpt #: 103 total cpu time spent up to now is 116.2 secs Computing kpt #: 104 total cpu time spent up to now is 116.9 secs Computing kpt #: 105 total cpu time spent up to now is 117.7 secs Computing kpt #: 106 total cpu time spent up to now is 118.5 secs Computing kpt #: 107 total cpu time spent up to now is 119.2 secs Computing kpt #: 108 total cpu time spent up to now is 119.9 secs Computing kpt #: 109 total cpu time spent up to now is 120.7 secs Computing kpt #: 110 total cpu time spent up to now is 121.5 secs Computing kpt #: 111 total cpu time spent up to now is 122.3 secs Computing kpt #: 112 total cpu time spent up to now is 123.1 secs Computing kpt #: 113 total cpu time spent up to now is 123.9 secs Computing kpt #: 114 total cpu time spent up to now is 124.8 secs Computing kpt #: 115 total cpu time spent up to now is 125.6 secs Computing kpt #: 116 total cpu time spent up to now is 126.4 secs Computing kpt #: 117 total cpu time spent up to now is 127.1 secs Computing kpt #: 118 total cpu time spent up to now is 127.9 secs Computing kpt #: 119 total cpu time spent up to now is 128.8 secs Computing kpt #: 120 total cpu time spent up to now is 129.6 secs Computing kpt #: 121 total cpu time spent up to now is 130.4 secs Computing kpt #: 122 total cpu time spent up to now is 131.2 secs Computing kpt #: 123 total cpu time spent up to now is 131.9 secs Computing kpt #: 124 total cpu time spent up to now is 132.5 secs Computing kpt #: 125 total cpu time spent up to now is 133.2 secs Computing kpt #: 126 total cpu time spent up to now is 133.9 secs Computing kpt #: 127 total cpu time spent up to now is 134.5 secs Computing kpt #: 128 total cpu time spent up to now is 135.2 secs Computing kpt #: 129 total cpu time spent up to now is 135.9 secs Computing kpt #: 130 total cpu time spent up to now is 136.5 secs Computing kpt #: 131 total cpu time spent up to now is 137.1 secs Computing kpt #: 132 total cpu time spent up to now is 137.8 secs Computing kpt #: 133 total cpu time spent up to now is 138.4 secs Computing kpt #: 134 total cpu time spent up to now is 139.0 secs Computing kpt #: 135 total cpu time spent up to now is 139.6 secs Computing kpt #: 136 total cpu time spent up to now is 140.2 secs Computing kpt #: 137 total cpu time spent up to now is 141.0 secs Computing kpt #: 138 total cpu time spent up to now is 141.6 secs Computing kpt #: 139 total cpu time spent up to now is 142.4 secs Computing kpt #: 140 total cpu time spent up to now is 143.1 secs Computing kpt #: 141 total cpu time spent up to now is 143.9 secs Computing kpt #: 142 total cpu time spent up to now is 144.7 secs Computing kpt #: 143 total cpu time spent up to now is 145.4 secs Computing kpt #: 144 total cpu time spent up to now is 146.3 secs Computing kpt #: 145 total cpu time spent up to now is 147.1 secs Computing kpt #: 146 total cpu time spent up to now is 148.0 secs Computing kpt #: 147 total cpu time spent up to now is 148.7 secs Computing kpt #: 148 total cpu time spent up to now is 149.4 secs Computing kpt #: 149 total cpu time spent up to now is 150.1 secs Computing kpt #: 150 total cpu time spent up to now is 150.8 secs Computing kpt #: 151 total cpu time spent up to now is 151.4 secs Computing kpt #: 152 total cpu time spent up to now is 152.1 secs Computing kpt #: 153 total cpu time spent up to now is 152.9 secs Computing kpt #: 154 total cpu time spent up to now is 153.6 secs Computing kpt #: 155 total cpu time spent up to now is 154.3 secs Computing kpt #: 156 total cpu time spent up to now is 154.9 secs Computing kpt #: 157 total cpu time spent up to now is 155.7 secs Computing kpt #: 158 total cpu time spent up to now is 156.3 secs Computing kpt #: 159 total cpu time spent up to now is 157.0 secs Computing kpt #: 160 total cpu time spent up to now is 157.6 secs Computing kpt #: 161 total cpu time spent up to now is 158.3 secs Computing kpt #: 162 total cpu time spent up to now is 159.0 secs Computing kpt #: 163 total cpu time spent up to now is 159.7 secs Computing kpt #: 164 total cpu time spent up to now is 160.4 secs Computing kpt #: 165 total cpu time spent up to now is 161.1 secs Computing kpt #: 166 total cpu time spent up to now is 161.8 secs Computing kpt #: 167 total cpu time spent up to now is 162.5 secs Computing kpt #: 168 total cpu time spent up to now is 163.2 secs Computing kpt #: 169 total cpu time spent up to now is 163.8 secs Computing kpt #: 170 total cpu time spent up to now is 164.6 secs Computing kpt #: 171 total cpu time spent up to now is 165.3 secs Computing kpt #: 172 total cpu time spent up to now is 166.0 secs Computing kpt #: 173 total cpu time spent up to now is 166.7 secs Computing kpt #: 174 total cpu time spent up to now is 167.4 secs Computing kpt #: 175 total cpu time spent up to now is 168.1 secs Computing kpt #: 176 total cpu time spent up to now is 168.7 secs Computing kpt #: 177 total cpu time spent up to now is 169.4 secs Computing kpt #: 178 total cpu time spent up to now is 170.3 secs Computing kpt #: 179 total cpu time spent up to now is 171.1 secs Computing kpt #: 180 total cpu time spent up to now is 171.8 secs Computing kpt #: 181 total cpu time spent up to now is 172.5 secs Computing kpt #: 182 total cpu time spent up to now is 173.3 secs Computing kpt #: 183 total cpu time spent up to now is 174.0 secs Computing kpt #: 184 total cpu time spent up to now is 174.8 secs Computing kpt #: 185 total cpu time spent up to now is 175.8 secs Computing kpt #: 186 total cpu time spent up to now is 176.9 secs Computing kpt #: 187 total cpu time spent up to now is 178.2 secs Computing kpt #: 188 total cpu time spent up to now is 179.5 secs Computing kpt #: 189 total cpu time spent up to now is 180.7 secs Computing kpt #: 190 total cpu time spent up to now is 182.0 secs Computing kpt #: 191 total cpu time spent up to now is 183.2 secs Computing kpt #: 192 total cpu time spent up to now is 184.2 secs Computing kpt #: 193 total cpu time spent up to now is 185.2 secs Computing kpt #: 194 total cpu time spent up to now is 186.2 secs Computing kpt #: 195 total cpu time spent up to now is 187.1 secs Computing kpt #: 196 total cpu time spent up to now is 188.1 secs Computing kpt #: 197 total cpu time spent up to now is 189.1 secs Computing kpt #: 198 total cpu time spent up to now is 190.2 secs Computing kpt #: 199 total cpu time spent up to now is 191.2 secs Computing kpt #: 200 total cpu time spent up to now is 192.2 secs Computing kpt #: 201 total cpu time spent up to now is 193.1 secs Computing kpt #: 202 total cpu time spent up to now is 194.1 secs Computing kpt #: 203 total cpu time spent up to now is 195.1 secs Computing kpt #: 204 total cpu time spent up to now is 196.2 secs Computing kpt #: 205 total cpu time spent up to now is 197.3 secs Computing kpt #: 206 total cpu time spent up to now is 198.7 secs Computing kpt #: 207 total cpu time spent up to now is 200.2 secs Computing kpt #: 208 total cpu time spent up to now is 201.9 secs Computing kpt #: 209 total cpu time spent up to now is 202.9 secs Computing kpt #: 210 total cpu time spent up to now is 203.9 secs Computing kpt #: 211 total cpu time spent up to now is 204.8 secs Computing kpt #: 212 total cpu time spent up to now is 205.7 secs Computing kpt #: 213 total cpu time spent up to now is 206.7 secs Computing kpt #: 214 total cpu time spent up to now is 207.6 secs Computing kpt #: 215 total cpu time spent up to now is 208.5 secs Computing kpt #: 216 total cpu time spent up to now is 209.4 secs Computing kpt #: 217 total cpu time spent up to now is 210.3 secs Computing kpt #: 218 total cpu time spent up to now is 211.2 secs Computing kpt #: 219 total cpu time spent up to now is 212.2 secs Computing kpt #: 220 total cpu time spent up to now is 213.2 secs Computing kpt #: 221 total cpu time spent up to now is 214.3 secs Computing kpt #: 222 total cpu time spent up to now is 215.2 secs Computing kpt #: 223 total cpu time spent up to now is 216.7 secs Computing kpt #: 224 total cpu time spent up to now is 217.8 secs Computing kpt #: 225 total cpu time spent up to now is 218.8 secs Computing kpt #: 226 total cpu time spent up to now is 219.9 secs Computing kpt #: 227 total cpu time spent up to now is 220.9 secs Computing kpt #: 228 total cpu time spent up to now is 221.8 secs Computing kpt #: 229 total cpu time spent up to now is 222.6 secs Computing kpt #: 230 total cpu time spent up to now is 223.4 secs Computing kpt #: 231 total cpu time spent up to now is 224.3 secs Computing kpt #: 232 total cpu time spent up to now is 225.0 secs Computing kpt #: 233 total cpu time spent up to now is 225.8 secs Computing kpt #: 234 total cpu time spent up to now is 226.5 secs Computing kpt #: 235 total cpu time spent up to now is 227.2 secs Computing kpt #: 236 total cpu time spent up to now is 227.9 secs Computing kpt #: 237 total cpu time spent up to now is 228.6 secs Computing kpt #: 238 total cpu time spent up to now is 229.3 secs Computing kpt #: 239 total cpu time spent up to now is 230.0 secs Computing kpt #: 240 total cpu time spent up to now is 230.9 secs Computing kpt #: 241 total cpu time spent up to now is 231.6 secs Computing kpt #: 242 total cpu time spent up to now is 232.3 secs Computing kpt #: 243 total cpu time spent up to now is 233.0 secs Computing kpt #: 244 total cpu time spent up to now is 233.7 secs Computing kpt #: 245 total cpu time spent up to now is 234.4 secs Computing kpt #: 246 total cpu time spent up to now is 235.1 secs Computing kpt #: 247 total cpu time spent up to now is 235.8 secs Computing kpt #: 248 total cpu time spent up to now is 236.5 secs Computing kpt #: 249 total cpu time spent up to now is 237.3 secs Computing kpt #: 250 total cpu time spent up to now is 238.0 secs Computing kpt #: 251 total cpu time spent up to now is 238.7 secs Computing kpt #: 252 total cpu time spent up to now is 239.4 secs Computing kpt #: 253 total cpu time spent up to now is 240.1 secs Computing kpt #: 254 total cpu time spent up to now is 240.8 secs Computing kpt #: 255 total cpu time spent up to now is 241.5 secs Computing kpt #: 256 total cpu time spent up to now is 242.2 secs Computing kpt #: 257 total cpu time spent up to now is 242.9 secs Computing kpt #: 258 total cpu time spent up to now is 243.6 secs Computing kpt #: 259 total cpu time spent up to now is 244.4 secs Computing kpt #: 260 total cpu time spent up to now is 245.1 secs Computing kpt #: 261 total cpu time spent up to now is 245.8 secs Computing kpt #: 262 total cpu time spent up to now is 246.5 secs Computing kpt #: 263 total cpu time spent up to now is 247.2 secs Computing kpt #: 264 total cpu time spent up to now is 247.9 secs Computing kpt #: 265 total cpu time spent up to now is 248.7 secs Computing kpt #: 266 total cpu time spent up to now is 249.5 secs Computing kpt #: 267 total cpu time spent up to now is 250.3 secs Computing kpt #: 268 total cpu time spent up to now is 251.0 secs Computing kpt #: 269 total cpu time spent up to now is 251.8 secs Computing kpt #: 270 total cpu time spent up to now is 252.6 secs Computing kpt #: 271 total cpu time spent up to now is 253.4 secs Computing kpt #: 272 total cpu time spent up to now is 254.3 secs Computing kpt #: 273 total cpu time spent up to now is 255.1 secs Computing kpt #: 274 total cpu time spent up to now is 255.9 secs Computing kpt #: 275 total cpu time spent up to now is 256.6 secs Computing kpt #: 276 total cpu time spent up to now is 257.3 secs Computing kpt #: 277 total cpu time spent up to now is 258.1 secs Computing kpt #: 278 total cpu time spent up to now is 258.7 secs Computing kpt #: 279 total cpu time spent up to now is 259.4 secs Computing kpt #: 280 total cpu time spent up to now is 260.0 secs Computing kpt #: 281 total cpu time spent up to now is 260.7 secs Computing kpt #: 282 total cpu time spent up to now is 261.4 secs Computing kpt #: 283 total cpu time spent up to now is 262.1 secs Computing kpt #: 284 total cpu time spent up to now is 262.7 secs Computing kpt #: 285 total cpu time spent up to now is 263.2 secs Computing kpt #: 286 total cpu time spent up to now is 263.8 secs Computing kpt #: 287 total cpu time spent up to now is 264.3 secs Computing kpt #: 288 total cpu time spent up to now is 264.8 secs Computing kpt #: 289 total cpu time spent up to now is 265.4 secs Computing kpt #: 290 total cpu time spent up to now is 265.9 secs Computing kpt #: 291 total cpu time spent up to now is 266.5 secs Computing kpt #: 292 total cpu time spent up to now is 267.1 secs Computing kpt #: 293 total cpu time spent up to now is 267.7 secs Computing kpt #: 294 total cpu time spent up to now is 268.3 secs Computing kpt #: 295 total cpu time spent up to now is 269.0 secs Computing kpt #: 296 total cpu time spent up to now is 269.5 secs Computing kpt #: 297 total cpu time spent up to now is 270.0 secs Computing kpt #: 298 total cpu time spent up to now is 270.6 secs Computing kpt #: 299 total cpu time spent up to now is 271.1 secs Computing kpt #: 300 total cpu time spent up to now is 271.6 secs Computing kpt #: 301 total cpu time spent up to now is 272.2 secs Computing kpt #: 302 total cpu time spent up to now is 272.8 secs Computing kpt #: 303 total cpu time spent up to now is 273.3 secs Computing kpt #: 304 total cpu time spent up to now is 273.9 secs Computing kpt #: 305 total cpu time spent up to now is 274.5 secs Computing kpt #: 306 total cpu time spent up to now is 275.1 secs Computing kpt #: 307 total cpu time spent up to now is 275.6 secs Computing kpt #: 308 total cpu time spent up to now is 276.1 secs Computing kpt #: 309 total cpu time spent up to now is 276.6 secs Computing kpt #: 310 total cpu time spent up to now is 277.2 secs Computing kpt #: 311 total cpu time spent up to now is 277.7 secs Computing kpt #: 312 total cpu time spent up to now is 278.2 secs Computing kpt #: 313 total cpu time spent up to now is 278.8 secs Computing kpt #: 314 total cpu time spent up to now is 279.4 secs Computing kpt #: 315 total cpu time spent up to now is 279.9 secs Computing kpt #: 316 total cpu time spent up to now is 280.4 secs Computing kpt #: 317 total cpu time spent up to now is 281.0 secs Computing kpt #: 318 total cpu time spent up to now is 281.5 secs Computing kpt #: 319 total cpu time spent up to now is 282.1 secs Computing kpt #: 320 total cpu time spent up to now is 282.6 secs Computing kpt #: 321 total cpu time spent up to now is 283.2 secs Computing kpt #: 322 total cpu time spent up to now is 283.7 secs Computing kpt #: 323 total cpu time spent up to now is 284.4 secs Computing kpt #: 324 total cpu time spent up to now is 285.1 secs Computing kpt #: 325 total cpu time spent up to now is 285.8 secs Computing kpt #: 326 total cpu time spent up to now is 286.5 secs Computing kpt #: 327 total cpu time spent up to now is 287.2 secs Computing kpt #: 328 total cpu time spent up to now is 288.2 secs Computing kpt #: 329 total cpu time spent up to now is 288.8 secs Computing kpt #: 330 total cpu time spent up to now is 289.5 secs Computing kpt #: 331 total cpu time spent up to now is 290.2 secs Computing kpt #: 332 total cpu time spent up to now is 290.9 secs Computing kpt #: 333 total cpu time spent up to now is 291.7 secs Computing kpt #: 334 total cpu time spent up to now is 292.6 secs Computing kpt #: 335 total cpu time spent up to now is 293.3 secs Computing kpt #: 336 total cpu time spent up to now is 294.0 secs Computing kpt #: 337 total cpu time spent up to now is 294.8 secs Computing kpt #: 338 total cpu time spent up to now is 295.5 secs Computing kpt #: 339 total cpu time spent up to now is 296.3 secs Computing kpt #: 340 total cpu time spent up to now is 297.0 secs Computing kpt #: 341 total cpu time spent up to now is 297.7 secs Computing kpt #: 342 total cpu time spent up to now is 298.4 secs Computing kpt #: 343 total cpu time spent up to now is 299.1 secs Computing kpt #: 344 total cpu time spent up to now is 299.7 secs Computing kpt #: 345 total cpu time spent up to now is 300.4 secs Computing kpt #: 346 total cpu time spent up to now is 301.0 secs Computing kpt #: 347 total cpu time spent up to now is 301.7 secs Computing kpt #: 348 total cpu time spent up to now is 302.4 secs Computing kpt #: 349 total cpu time spent up to now is 303.1 secs Computing kpt #: 350 total cpu time spent up to now is 303.8 secs Computing kpt #: 351 total cpu time spent up to now is 304.4 secs Computing kpt #: 352 total cpu time spent up to now is 305.0 secs Computing kpt #: 353 total cpu time spent up to now is 305.6 secs Computing kpt #: 354 total cpu time spent up to now is 306.3 secs Computing kpt #: 355 total cpu time spent up to now is 306.9 secs Computing kpt #: 356 total cpu time spent up to now is 307.5 secs Computing kpt #: 357 total cpu time spent up to now is 308.1 secs Computing kpt #: 358 total cpu time spent up to now is 308.8 secs Computing kpt #: 359 total cpu time spent up to now is 309.4 secs Computing kpt #: 360 total cpu time spent up to now is 310.1 secs Computing kpt #: 361 total cpu time spent up to now is 310.8 secs Computing kpt #: 362 total cpu time spent up to now is 311.4 secs Computing kpt #: 363 total cpu time spent up to now is 312.0 secs Computing kpt #: 364 total cpu time spent up to now is 312.6 secs Computing kpt #: 365 total cpu time spent up to now is 313.2 secs Computing kpt #: 366 total cpu time spent up to now is 313.9 secs Computing kpt #: 367 total cpu time spent up to now is 314.5 secs Computing kpt #: 368 total cpu time spent up to now is 315.2 secs Computing kpt #: 369 total cpu time spent up to now is 315.9 secs Computing kpt #: 370 total cpu time spent up to now is 316.6 secs Computing kpt #: 371 total cpu time spent up to now is 317.2 secs Computing kpt #: 372 total cpu time spent up to now is 317.9 secs Computing kpt #: 373 total cpu time spent up to now is 318.5 secs Computing kpt #: 374 total cpu time spent up to now is 319.2 secs Computing kpt #: 375 total cpu time spent up to now is 319.8 secs Computing kpt #: 376 total cpu time spent up to now is 320.6 secs Computing kpt #: 377 total cpu time spent up to now is 321.4 secs Computing kpt #: 378 total cpu time spent up to now is 322.2 secs Computing kpt #: 379 total cpu time spent up to now is 323.0 secs Computing kpt #: 380 total cpu time spent up to now is 323.9 secs Computing kpt #: 381 total cpu time spent up to now is 324.8 secs Computing kpt #: 382 total cpu time spent up to now is 325.8 secs Computing kpt #: 383 total cpu time spent up to now is 326.8 secs Computing kpt #: 384 total cpu time spent up to now is 327.9 secs Computing kpt #: 385 total cpu time spent up to now is 329.0 secs Computing kpt #: 386 total cpu time spent up to now is 329.9 secs Computing kpt #: 387 total cpu time spent up to now is 330.8 secs Computing kpt #: 388 total cpu time spent up to now is 331.7 secs Computing kpt #: 389 total cpu time spent up to now is 332.6 secs Computing kpt #: 390 total cpu time spent up to now is 333.5 secs Computing kpt #: 391 total cpu time spent up to now is 334.4 secs Computing kpt #: 392 total cpu time spent up to now is 335.3 secs Computing kpt #: 393 total cpu time spent up to now is 336.1 secs Computing kpt #: 394 total cpu time spent up to now is 337.0 secs Computing kpt #: 395 total cpu time spent up to now is 337.8 secs Computing kpt #: 396 total cpu time spent up to now is 338.6 secs Computing kpt #: 397 total cpu time spent up to now is 339.5 secs Computing kpt #: 398 total cpu time spent up to now is 340.3 secs Computing kpt #: 399 total cpu time spent up to now is 341.2 secs Computing kpt #: 400 total cpu time spent up to now is 342.0 secs Computing kpt #: 401 total cpu time spent up to now is 342.9 secs Computing kpt #: 402 total cpu time spent up to now is 343.7 secs Computing kpt #: 403 total cpu time spent up to now is 344.6 secs Computing kpt #: 404 total cpu time spent up to now is 345.4 secs Computing kpt #: 405 total cpu time spent up to now is 346.3 secs Computing kpt #: 406 total cpu time spent up to now is 347.2 secs Computing kpt #: 407 total cpu time spent up to now is 348.0 secs Computing kpt #: 408 total cpu time spent up to now is 348.8 secs Computing kpt #: 409 total cpu time spent up to now is 349.5 secs Computing kpt #: 410 total cpu time spent up to now is 350.3 secs Computing kpt #: 411 total cpu time spent up to now is 351.4 secs Computing kpt #: 412 total cpu time spent up to now is 352.2 secs Computing kpt #: 413 total cpu time spent up to now is 352.9 secs Computing kpt #: 414 total cpu time spent up to now is 353.7 secs Computing kpt #: 415 total cpu time spent up to now is 354.4 secs Computing kpt #: 416 total cpu time spent up to now is 355.2 secs Computing kpt #: 417 total cpu time spent up to now is 355.9 secs Computing kpt #: 418 total cpu time spent up to now is 356.7 secs Computing kpt #: 419 total cpu time spent up to now is 357.4 secs Computing kpt #: 420 total cpu time spent up to now is 358.2 secs Computing kpt #: 421 total cpu time spent up to now is 359.0 secs Computing kpt #: 422 total cpu time spent up to now is 359.7 secs Computing kpt #: 423 total cpu time spent up to now is 360.4 secs Computing kpt #: 424 total cpu time spent up to now is 361.1 secs Computing kpt #: 425 total cpu time spent up to now is 361.8 secs Computing kpt #: 426 total cpu time spent up to now is 362.5 secs Computing kpt #: 427 total cpu time spent up to now is 363.2 secs Computing kpt #: 428 total cpu time spent up to now is 363.9 secs Computing kpt #: 429 total cpu time spent up to now is 364.7 secs Computing kpt #: 430 total cpu time spent up to now is 365.4 secs Computing kpt #: 431 total cpu time spent up to now is 366.1 secs Computing kpt #: 432 total cpu time spent up to now is 366.8 secs Computing kpt #: 433 total cpu time spent up to now is 367.5 secs Computing kpt #: 434 total cpu time spent up to now is 368.2 secs Computing kpt #: 435 total cpu time spent up to now is 368.9 secs Computing kpt #: 436 total cpu time spent up to now is 369.6 secs Computing kpt #: 437 total cpu time spent up to now is 370.5 secs Computing kpt #: 438 total cpu time spent up to now is 371.2 secs Computing kpt #: 439 total cpu time spent up to now is 371.9 secs Computing kpt #: 440 total cpu time spent up to now is 372.5 secs Computing kpt #: 441 total cpu time spent up to now is 373.2 secs Computing kpt #: 442 total cpu time spent up to now is 373.9 secs Computing kpt #: 443 total cpu time spent up to now is 374.6 secs Computing kpt #: 444 total cpu time spent up to now is 375.4 secs Computing kpt #: 445 total cpu time spent up to now is 376.0 secs Computing kpt #: 446 total cpu time spent up to now is 376.7 secs Computing kpt #: 447 total cpu time spent up to now is 377.3 secs Computing kpt #: 448 total cpu time spent up to now is 378.0 secs Computing kpt #: 449 total cpu time spent up to now is 378.7 secs Computing kpt #: 450 total cpu time spent up to now is 379.3 secs Computing kpt #: 451 total cpu time spent up to now is 380.1 secs Computing kpt #: 452 total cpu time spent up to now is 380.8 secs Computing kpt #: 453 total cpu time spent up to now is 381.5 secs Computing kpt #: 454 total cpu time spent up to now is 382.3 secs Computing kpt #: 455 total cpu time spent up to now is 383.0 secs Computing kpt #: 456 total cpu time spent up to now is 383.6 secs Computing kpt #: 457 total cpu time spent up to now is 384.3 secs Computing kpt #: 458 total cpu time spent up to now is 385.1 secs Computing kpt #: 459 total cpu time spent up to now is 385.8 secs Computing kpt #: 460 total cpu time spent up to now is 386.6 secs Computing kpt #: 461 total cpu time spent up to now is 387.4 secs Computing kpt #: 462 total cpu time spent up to now is 388.3 secs Computing kpt #: 463 total cpu time spent up to now is 389.1 secs Computing kpt #: 464 total cpu time spent up to now is 389.8 secs Computing kpt #: 465 total cpu time spent up to now is 390.7 secs Computing kpt #: 466 total cpu time spent up to now is 391.5 secs Computing kpt #: 467 total cpu time spent up to now is 392.3 secs Computing kpt #: 468 total cpu time spent up to now is 393.2 secs Computing kpt #: 469 total cpu time spent up to now is 393.9 secs Computing kpt #: 470 total cpu time spent up to now is 394.4 secs Computing kpt #: 471 total cpu time spent up to now is 395.0 secs Computing kpt #: 472 total cpu time spent up to now is 395.5 secs Computing kpt #: 473 total cpu time spent up to now is 396.0 secs Computing kpt #: 474 total cpu time spent up to now is 396.5 secs Computing kpt #: 475 total cpu time spent up to now is 397.0 secs Computing kpt #: 476 total cpu time spent up to now is 397.6 secs Computing kpt #: 477 total cpu time spent up to now is 398.1 secs Computing kpt #: 478 total cpu time spent up to now is 398.7 secs Computing kpt #: 479 total cpu time spent up to now is 399.2 secs Computing kpt #: 480 total cpu time spent up to now is 399.8 secs Computing kpt #: 481 total cpu time spent up to now is 400.3 secs Computing kpt #: 482 total cpu time spent up to now is 400.8 secs Computing kpt #: 483 total cpu time spent up to now is 401.4 secs Computing kpt #: 484 total cpu time spent up to now is 401.9 secs Computing kpt #: 485 total cpu time spent up to now is 402.4 secs Computing kpt #: 486 total cpu time spent up to now is 402.9 secs Computing kpt #: 487 total cpu time spent up to now is 403.4 secs Computing kpt #: 488 total cpu time spent up to now is 403.9 secs Computing kpt #: 489 total cpu time spent up to now is 404.5 secs Computing kpt #: 490 total cpu time spent up to now is 405.0 secs Computing kpt #: 491 total cpu time spent up to now is 405.8 secs Computing kpt #: 492 total cpu time spent up to now is 406.4 secs Computing kpt #: 493 total cpu time spent up to now is 407.0 secs Computing kpt #: 494 total cpu time spent up to now is 407.6 secs Computing kpt #: 495 total cpu time spent up to now is 408.1 secs Computing kpt #: 496 total cpu time spent up to now is 408.6 secs Computing kpt #: 497 total cpu time spent up to now is 409.1 secs Computing kpt #: 498 total cpu time spent up to now is 409.6 secs Computing kpt #: 499 total cpu time spent up to now is 410.2 secs Computing kpt #: 500 total cpu time spent up to now is 410.8 secs Computing kpt #: 501 total cpu time spent up to now is 411.3 secs Computing kpt #: 502 total cpu time spent up to now is 411.9 secs Computing kpt #: 503 total cpu time spent up to now is 412.7 secs Computing kpt #: 504 total cpu time spent up to now is 413.4 secs Computing kpt #: 505 total cpu time spent up to now is 414.1 secs Computing kpt #: 506 total cpu time spent up to now is 414.7 secs Computing kpt #: 507 total cpu time spent up to now is 415.4 secs Computing kpt #: 508 total cpu time spent up to now is 416.1 secs Computing kpt #: 509 total cpu time spent up to now is 416.8 secs Computing kpt #: 510 total cpu time spent up to now is 417.6 secs Computing kpt #: 511 total cpu time spent up to now is 418.4 secs Computing kpt #: 512 total cpu time spent up to now is 419.1 secs Computing kpt #: 513 total cpu time spent up to now is 419.8 secs Computing kpt #: 514 total cpu time spent up to now is 420.5 secs Computing kpt #: 515 total cpu time spent up to now is 421.1 secs Computing kpt #: 516 total cpu time spent up to now is 421.8 secs Computing kpt #: 517 total cpu time spent up to now is 422.5 secs Computing kpt #: 518 total cpu time spent up to now is 423.2 secs Computing kpt #: 519 total cpu time spent up to now is 423.9 secs Computing kpt #: 520 total cpu time spent up to now is 424.6 secs Computing kpt #: 521 total cpu time spent up to now is 425.3 secs Computing kpt #: 522 total cpu time spent up to now is 425.9 secs Computing kpt #: 523 total cpu time spent up to now is 426.5 secs Computing kpt #: 524 total cpu time spent up to now is 427.2 secs Computing kpt #: 525 total cpu time spent up to now is 427.8 secs Computing kpt #: 526 total cpu time spent up to now is 428.5 secs Computing kpt #: 527 total cpu time spent up to now is 429.1 secs Computing kpt #: 528 total cpu time spent up to now is 429.8 secs Computing kpt #: 529 total cpu time spent up to now is 430.5 secs Computing kpt #: 530 total cpu time spent up to now is 431.2 secs Computing kpt #: 531 total cpu time spent up to now is 431.8 secs Computing kpt #: 532 total cpu time spent up to now is 432.5 secs Computing kpt #: 533 total cpu time spent up to now is 433.2 secs Computing kpt #: 534 total cpu time spent up to now is 433.9 secs Computing kpt #: 535 total cpu time spent up to now is 434.7 secs Computing kpt #: 536 total cpu time spent up to now is 435.6 secs ethr = 3.13E-11, avg # of iterations = 29.6 total cpu time spent up to now is 435.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1741 PWs) bands (ev): -10.6063 -10.6063 -7.9507 -7.9507 -6.8088 -6.8088 -5.1591 -5.1591 0.3571 0.3571 0.9505 0.9505 1.9317 1.9317 2.2302 2.2302 4.0415 4.0415 4.6960 4.6960 6.5556 6.5556 6.8328 6.8328 8.3867 8.3867 8.8812 8.8812 9.1956 9.1956 9.2865 9.2865 16.1565 16.1565 16.5661 16.5661 17.8501 17.8501 18.1074 18.1074 k = 0.0082-0.0000-0.0000 ( 1739 PWs) bands (ev): -10.6052 -10.6052 -7.9498 -7.9498 -6.8080 -6.8080 -5.1587 -5.1587 0.3579 0.3579 0.9507 0.9507 1.9325 1.9325 2.2311 2.2311 4.0369 4.0369 4.6954 4.6954 6.5501 6.5501 6.8287 6.8287 8.3863 8.3863 8.8785 8.8785 9.1964 9.1964 9.2829 9.2829 16.1609 16.1609 16.5720 16.5720 17.8516 17.8516 18.1005 18.1005 k = 0.0164-0.0000-0.0000 ( 1745 PWs) bands (ev): -10.6021 -10.6021 -7.9470 -7.9470 -6.8057 -6.8057 -5.1576 -5.1576 0.3602 0.3602 0.9515 0.9515 1.9348 1.9348 2.2339 2.2339 4.0232 4.0232 4.6937 4.6937 6.5341 6.5341 6.8160 6.8160 8.3850 8.3850 8.8703 8.8703 9.1987 9.1987 9.2722 9.2722 16.1742 16.1742 16.5894 16.5894 17.8563 17.8563 18.0820 18.0820 k = 0.0246-0.0000-0.0000 ( 1741 PWs) bands (ev): -10.5969 -10.5969 -7.9425 -7.9425 -6.8018 -6.8018 -5.1556 -5.1556 0.3641 0.3641 0.9528 0.9528 1.9387 1.9387 2.2386 2.2386 4.0006 4.0006 4.6907 4.6907 6.5079 6.5079 6.7951 6.7951 8.3828 8.3828 8.8564 8.8564 9.2025 9.2025 9.2549 9.2549 16.1962 16.1962 16.6183 16.6183 17.8642 17.8642 18.0560 18.0560 k = 0.0328-0.0000-0.0000 ( 1747 PWs) bands (ev): -10.5896 -10.5896 -7.9361 -7.9361 -6.7965 -6.7965 -5.1529 -5.1529 0.3694 0.3694 0.9545 0.9545 1.9442 1.9442 2.2451 2.2451 3.9694 3.9694 4.6863 4.6863 6.4720 6.4720 6.7661 6.7661 8.3791 8.3791 8.8367 8.8367 9.2068 9.2068 9.2319 9.2319 16.2265 16.2265 16.6585 16.6585 17.8757 17.8757 18.0261 18.0261 k = 0.0410-0.0000-0.0000 ( 1749 PWs) bands (ev): -10.5802 -10.5802 -7.9280 -7.9280 -6.7895 -6.7895 -5.1494 -5.1494 0.3762 0.3762 0.9566 0.9566 1.9512 1.9512 2.2535 2.2535 3.9299 3.9299 4.6802 4.6802 6.4274 6.4274 6.7292 6.7292 8.3737 8.3737 8.8107 8.8107 9.1977 9.1977 9.2175 9.2175 16.2645 16.2645 16.7095 16.7095 17.8911 17.8911 17.9949 17.9949 k = 0.0492-0.0000-0.0000 ( 1749 PWs) bands (ev): -10.5687 -10.5687 -7.9180 -7.9180 -6.7811 -6.7811 -5.1452 -5.1452 0.3846 0.3846 0.9591 0.9591 1.9597 1.9597 2.2637 2.2637 3.8828 3.8828 4.6723 4.6723 6.3748 6.3748 6.6846 6.6846 8.3665 8.3665 8.7782 8.7782 9.1643 9.1643 9.2232 9.2232 16.3095 16.3095 16.7709 16.7709 17.9110 17.9110 17.9637 17.9637 k = 0.0574-0.0000-0.0000 ( 1753 PWs) bands (ev): -10.5552 -10.5552 -7.9062 -7.9062 -6.7711 -6.7711 -5.1404 -5.1404 0.3945 0.3945 0.9619 0.9619 1.9697 1.9697 2.2758 2.2758 3.8285 3.8285 4.6620 4.6620 6.3154 6.3154 6.6326 6.6326 8.3570 8.3570 8.7387 8.7387 9.1253 9.1253 9.2309 9.2309 16.3607 16.3607 16.8423 16.8423 17.9332 17.9332 17.9362 17.9362 k = 0.0656-0.0000-0.0000 ( 1753 PWs) bands (ev): -10.5395 -10.5395 -7.8926 -7.8926 -6.7597 -6.7597 -5.1349 -5.1349 0.4058 0.4058 0.9648 0.9648 1.9812 1.9812 2.2897 2.2897 3.7678 3.7678 4.6489 4.6489 6.2505 6.2505 6.5735 6.5735 8.3449 8.3449 8.6916 8.6916 9.0826 9.0826 9.2390 9.2390 16.4169 16.4169 16.9230 16.9230 17.9049 17.9049 17.9669 17.9669 k = 0.0738-0.0000-0.0000 ( 1753 PWs) bands (ev): -10.5218 -10.5218 -7.8772 -7.8772 -6.7467 -6.7467 -5.1289 -5.1289 0.4185 0.4185 0.9677 0.9677 1.9941 1.9941 2.3055 2.3055 3.7013 3.7013 4.6325 4.6325 6.1813 6.1813 6.5078 6.5078 8.3300 8.3300 8.6366 8.6366 9.0372 9.0372 9.2472 9.2472 16.4770 16.4770 17.0124 17.0124 17.8782 17.8782 18.0047 18.0047 k = 0.0820-0.0000-0.0000 ( 1753 PWs) bands (ev): -10.5020 -10.5020 -7.8601 -7.8601 -6.7323 -6.7323 -5.1224 -5.1224 0.4327 0.4327 0.9706 0.9706 2.0084 2.0084 2.3231 2.3231 3.6299 3.6299 4.6120 4.6120 6.1095 6.1095 6.4359 6.4359 8.3119 8.3119 8.5736 8.5736 8.9899 8.9899 9.2551 9.2551 16.5396 16.5396 17.1096 17.1096 17.8538 17.8538 18.0506 18.0506 k = 0.0902-0.0000-0.0000 ( 1753 PWs) bands (ev): -10.4801 -10.4801 -7.8412 -7.8412 -6.7164 -6.7164 -5.1154 -5.1154 0.4482 0.4482 0.9732 0.9732 2.0241 2.0241 2.3425 2.3425 3.5544 3.5544 4.5866 4.5866 6.0363 6.0363 6.3581 6.3581 8.2906 8.2906 8.5025 8.5025 8.9411 8.9411 9.2624 9.2624 16.6031 16.6031 17.2138 17.2138 17.8318 17.8318 18.1056 18.1056 k = 0.0984-0.0000-0.0000 ( 1753 PWs) bands (ev): -10.4562 -10.4562 -7.8205 -7.8205 -6.6991 -6.6991 -5.1080 -5.1080 0.4651 0.4651 0.9753 0.9753 2.0411 2.0411 2.3638 2.3638 3.4755 3.4755 4.5553 4.5553 5.9635 5.9635 6.2749 6.2749 8.2658 8.2658 8.4237 8.4237 8.8910 8.8910 9.2687 9.2687 16.6659 16.6659 17.3240 17.3240 17.8125 17.8125 18.1709 18.1709 k = 0.1066-0.0000-0.0000 ( 1749 PWs) bands (ev): -10.4302 -10.4302 -7.7981 -7.7981 -6.6804 -6.6804 -5.1004 -5.1004 0.4832 0.4832 0.9767 0.9767 2.0594 2.0594 2.3868 2.3868 3.3942 3.3942 4.5173 4.5173 5.8927 5.8927 6.1867 6.1867 8.2374 8.2374 8.3375 8.3375 8.8400 8.8400 9.2739 9.2739 16.7268 16.7268 17.4388 17.4388 17.7959 17.7959 18.2478 18.2478 k = 0.1148-0.0000-0.0000 ( 1751 PWs) bands (ev): -10.4022 -10.4022 -7.7740 -7.7740 -6.6603 -6.6603 -5.0925 -5.0925 0.5026 0.5026 0.9772 0.9772 2.0789 2.0789 2.4117 2.4117 3.3113 3.3113 4.4715 4.4715 5.8254 5.8254 6.0939 6.0939 8.2051 8.2051 8.2450 8.2450 8.7878 8.7878 9.2776 9.2776 16.7842 16.7842 17.5569 17.5569 17.7822 17.7822 18.3369 18.3369 k = 0.1230-0.0000-0.0000 ( 1747 PWs) bands (ev): -10.3720 -10.3720 -7.7481 -7.7481 -6.6388 -6.6388 -5.0846 -5.0846 0.5231 0.5231 0.9763 0.9763 2.0996 2.0996 2.4383 2.4383 3.2279 3.2279 4.4171 4.4171 5.7628 5.7628 5.9973 5.9973 8.1439 8.1439 8.1716 8.1716 8.7345 8.7345 9.2797 9.2797 16.8374 16.8374 17.6760 17.6760 17.7715 17.7715 18.4390 18.4390 k = 0.1311-0.0000-0.0000 ( 1747 PWs) bands (ev): -10.3399 -10.3399 -7.7206 -7.7206 -6.6161 -6.6161 -5.0767 -5.0767 0.5447 0.5447 0.9739 0.9739 2.1213 2.1213 2.4666 2.4666 3.1448 3.1448 4.3536 4.3536 5.7063 5.7063 5.8970 5.8970 8.0401 8.0401 8.1318 8.1318 8.6798 8.6798 9.2799 9.2799 16.8856 16.8856 17.7638 17.7638 17.7931 17.7931 18.5542 18.5542 k = 0.1393-0.0000-0.0000 ( 1747 PWs) bands (ev): -10.3057 -10.3057 -7.6914 -7.6914 -6.5920 -6.5920 -5.0690 -5.0690 0.5674 0.5674 0.9694 0.9694 2.1439 2.1439 2.4968 2.4968 3.0631 3.0631 4.2807 4.2807 5.6563 5.6563 5.7935 5.7935 7.9308 7.9308 8.0892 8.0892 8.6238 8.6238 9.2780 9.2780 16.9287 16.9287 17.7593 17.7593 17.9038 17.9038 18.6824 18.6824 k = 0.1475-0.0000-0.0000 ( 1742 PWs) bands (ev): -10.2695 -10.2695 -7.6605 -7.6605 -6.5667 -6.5667 -5.0616 -5.0616 0.5910 0.5910 0.9626 0.9626 2.1675 2.1675 2.5286 2.5286 2.9838 2.9838 4.1985 4.1985 5.6133 5.6133 5.6875 5.6875 7.8173 7.8173 8.0432 8.0432 8.5664 8.5664 9.2740 9.2740 16.9668 16.9668 17.7580 17.7580 18.0010 18.0010 18.8231 18.8231 k = 0.1557-0.0000-0.0000 ( 1750 PWs) bands (ev): -10.2313 -10.2313 -7.6280 -7.6280 -6.5401 -6.5401 -5.0546 -5.0546 0.6155 0.6155 0.9529 0.9529 2.1918 2.1918 2.5622 2.5622 2.9076 2.9076 4.1075 4.1075 5.5756 5.5756 5.5808 5.5808 7.7000 7.7000 7.9938 7.9938 8.5075 8.5075 9.2676 9.2676 17.0002 17.0002 17.7599 17.7599 18.0743 18.0743 18.9220 18.9220 k = 0.1639-0.0000-0.0000 ( 1754 PWs) bands (ev): -10.1911 -10.1911 -7.5939 -7.5939 -6.5124 -6.5124 -5.0483 -5.0483 0.6407 0.6407 0.9399 0.9399 2.2168 2.2168 2.5975 2.5975 2.8358 2.8358 4.0084 4.0084 5.4690 5.4690 5.5476 5.5476 7.5797 7.5797 7.9411 7.9411 8.4471 8.4471 9.2588 9.2588 17.0294 17.0294 17.7650 17.7650 18.1124 18.1124 18.9331 18.9331 k = 0.1721-0.0000-0.0000 ( 1756 PWs) bands (ev): -10.1489 -10.1489 -7.5582 -7.5582 -6.4835 -6.4835 -5.0427 -5.0427 0.6665 0.6665 0.9233 0.9233 2.2423 2.2423 2.6344 2.6344 2.7691 2.7691 3.9022 3.9022 5.3577 5.3577 5.5237 5.5237 7.4568 7.4568 7.8854 7.8854 8.3854 8.3854 9.2475 9.2475 17.0549 17.0549 17.7735 17.7735 18.1094 18.1094 18.9832 18.9832 k = 0.1803-0.0000-0.0000 ( 1752 PWs) bands (ev): -10.1047 -10.1047 -7.5210 -7.5210 -6.4536 -6.4536 -5.0380 -5.0380 0.6929 0.6929 0.9028 0.9028 2.2683 2.2683 2.6729 2.6729 2.7087 2.7087 3.7900 3.7900 5.2457 5.2457 5.5049 5.5049 7.3318 7.3318 7.8267 7.8267 8.3223 8.3223 9.2337 9.2337 17.0774 17.0774 17.7853 17.7853 18.0702 18.0702 19.0674 19.0674 k = 0.1885-0.0000-0.0000 ( 1748 PWs) bands (ev): -10.0585 -10.0585 -7.4822 -7.4822 -6.4226 -6.4226 -5.0346 -5.0346 0.7196 0.7196 0.8781 0.8781 2.2945 2.2945 2.6546 2.6546 2.7134 2.7134 3.6726 3.6726 5.1332 5.1332 5.4905 5.4905 7.2054 7.2054 7.7651 7.7651 8.2581 8.2581 9.2172 9.2172 17.0973 17.0973 17.8004 17.8004 18.0048 18.0048 19.1483 19.1483 k = 0.1967-0.0000-0.0000 ( 1748 PWs) bands (ev): -10.0104 -10.0104 -7.4419 -7.4419 -6.3907 -6.3907 -5.0325 -5.0325 0.7464 0.7464 0.8492 0.8492 2.3207 2.3207 2.6081 2.6081 2.7551 2.7551 3.5509 3.5509 5.0207 5.0207 5.4797 5.4797 7.0777 7.0777 7.7008 7.7008 8.1927 8.1927 9.1981 9.1981 17.1152 17.1152 17.8188 17.8188 17.9222 17.9222 19.1776 19.1776 k = 0.2049-0.0000-0.0000 ( 1748 PWs) bands (ev): -9.9602 -9.9602 -7.4003 -7.4003 -6.3579 -6.3579 -5.0319 -5.0319 0.7733 0.7733 0.8162 0.8162 2.3468 2.3468 2.5691 2.5691 2.7985 2.7985 3.4260 3.4260 4.9088 4.9088 5.4719 5.4719 6.9494 6.9494 7.6339 7.6339 8.1263 8.1263 9.1762 9.1762 17.1316 17.1316 17.8284 17.8284 17.8406 17.8406 19.2047 19.2047 k = 0.2131-0.0000-0.0000 ( 1748 PWs) bands (ev): -9.9082 -9.9082 -7.3572 -7.3572 -6.3242 -6.3242 -5.0332 -5.0332 0.7793 0.7793 0.8000 0.8000 2.3726 2.3726 2.5380 2.5380 2.8434 2.8434 3.2986 3.2986 4.7980 4.7980 5.4664 5.4664 6.8207 6.8207 7.5645 7.5645 8.0590 8.0590 9.1517 9.1517 17.1468 17.1468 17.7273 17.7273 17.8657 17.8657 19.2296 19.2296 k = 0.2213-0.0000-0.0000 ( 1748 PWs) bands (ev): -9.8542 -9.8542 -7.3127 -7.3127 -6.2898 -6.2898 -5.0365 -5.0365 0.7391 0.7391 0.8262 0.8262 2.3978 2.3978 2.5147 2.5147 2.8898 2.8898 3.1695 3.1695 4.6886 4.6886 5.4628 5.4628 6.6922 6.6922 7.4928 7.4928 7.9911 7.9911 9.1244 9.1244 17.1612 17.1612 17.6214 17.6214 17.8941 17.8941 19.1970 19.1970 k = 0.2295-0.0000-0.0000 ( 1750 PWs) bands (ev): -9.7983 -9.7983 -7.2669 -7.2669 -6.2547 -6.2547 -5.0421 -5.0421 0.6962 0.6962 0.8517 0.8517 2.4220 2.4220 2.4989 2.4989 2.9377 2.9377 3.0391 3.0391 4.5813 4.5813 5.4606 5.4606 6.5642 6.5642 7.4190 7.4190 7.9226 7.9226 9.0943 9.0943 17.1751 17.1751 17.5125 17.5125 17.9257 17.9257 19.0704 19.0704 k = 0.2377-0.0000-0.0000 ( 1750 PWs) bands (ev): -9.7405 -9.7405 -7.2198 -7.2198 -6.2190 -6.2190 -5.0502 -5.0502 0.6514 0.6514 0.8762 0.8762 2.4452 2.4452 2.4903 2.4903 2.9080 2.9080 2.9870 2.9870 4.4766 4.4766 5.4594 5.4594 6.4372 6.4372 7.3431 7.3431 7.8539 7.8539 9.0616 9.0616 17.1889 17.1889 17.4019 17.4019 17.9606 17.9606 18.9402 18.9402 k = 0.2459-0.0000-0.0000 ( 1754 PWs) bands (ev): -9.6808 -9.6808 -7.1715 -7.1715 -6.1829 -6.1829 -5.0610 -5.0610 0.6055 0.6055 0.8994 0.8994 2.4668 2.4668 2.4885 2.4885 2.7769 2.7769 3.0377 3.0377 4.3749 4.3749 5.4588 5.4588 6.3115 6.3115 7.2654 7.2654 7.7850 7.7850 9.0262 9.0262 17.2028 17.2028 17.2904 17.2904 17.9985 17.9985 18.8077 18.8077 k = 0.2541-0.0000-0.0000 ( 1758 PWs) bands (ev): -9.6193 -9.6193 -7.1221 -7.1221 -6.1463 -6.1463 -5.0748 -5.0748 0.5593 0.5593 0.9209 0.9209 2.4863 2.4863 2.4932 2.4932 2.6460 2.6460 3.0897 3.0897 4.2769 4.2769 5.4584 5.4584 6.1876 6.1876 7.1858 7.1858 7.7161 7.7161 8.9881 8.9881 17.1788 17.1788 17.2170 17.2170 18.0396 18.0396 18.6739 18.6739 k = 0.2623-0.0000-0.0000 ( 1758 PWs) bands (ev): -9.5560 -9.5560 -7.0715 -7.0715 -6.1094 -6.1094 -5.0918 -5.0918 0.5139 0.5139 0.9404 0.9404 2.5017 2.5017 2.5053 2.5053 2.5162 2.5162 3.1430 3.1430 4.1832 4.1832 5.4580 5.4580 6.0659 6.0659 7.1049 7.1049 7.6477 7.6477 8.9474 8.9474 17.0680 17.0680 17.2317 17.2317 18.0835 18.0835 18.5395 18.5395 k = 0.2705-0.0000-0.0000 ( 1758 PWs) bands (ev): -9.4908 -9.4908 -7.0199 -7.0199 -6.0723 -6.0723 -5.1123 -5.1123 0.4700 0.4700 0.9574 0.9574 2.3867 2.3867 2.5173 2.5173 2.5204 2.5204 3.1976 3.1976 4.0943 4.0943 5.4573 5.4573 5.9467 5.9467 7.0225 7.0225 7.5800 7.5800 8.9041 8.9041 16.9584 16.9584 17.2472 17.2472 18.1304 18.1304 18.4051 18.4051 k = 0.2787-0.0000-0.0000 ( 1758 PWs) bands (ev): -9.4238 -9.4238 -6.9673 -6.9673 -6.0352 -6.0352 -5.1363 -5.1363 0.4284 0.4284 0.9716 0.9716 2.2591 2.2591 2.5308 2.5308 2.5389 2.5389 3.2532 3.2532 4.0108 4.0108 5.4559 5.4559 5.8307 5.8307 6.9389 6.9389 7.5131 7.5131 8.8584 8.8584 16.8506 16.8506 17.2635 17.2635 18.1799 18.1799 18.2712 18.2712 k = 0.2869-0.0000-0.0000 ( 1758 PWs) bands (ev): -9.3550 -9.3550 -6.9139 -6.9139 -5.9982 -5.9982 -5.1641 -5.1641 0.3897 0.3897 0.9825 0.9825 2.1333 2.1333 2.5393 2.5393 2.5632 2.5632 3.3100 3.3100 3.9336 3.9336 5.4538 5.4538 5.7180 5.7180 6.8543 6.8543 7.4474 7.4474 8.8102 8.8102 16.7451 16.7451 17.2808 17.2808 18.1382 18.1382 18.2319 18.2319 k = 0.2951-0.0000-0.0000 ( 1758 PWs) bands (ev): -9.2845 -9.2845 -6.8596 -6.8596 -5.9614 -5.9614 -5.1959 -5.1959 0.3547 0.3547 0.9896 0.9896 2.0095 2.0095 2.5435 2.5435 2.5915 2.5915 3.3677 3.3677 3.8631 3.8631 5.4504 5.4504 5.6093 5.6093 6.7688 6.7688 7.3833 7.3833 8.7596 8.7596 16.6423 16.6423 17.2992 17.2992 18.0063 18.0063 18.2862 18.2862 k = 0.3033-0.0000-0.0000 ( 1766 PWs) bands (ev): -9.2123 -9.2123 -6.8046 -6.8046 -5.9249 -5.9249 -5.2317 -5.2317 0.3237 0.3237 0.9927 0.9927 1.8881 1.8881 2.5432 2.5432 2.6235 2.6235 3.4261 3.4261 3.8001 3.8001 5.4457 5.4457 5.5046 5.5046 6.6824 6.6824 7.3209 7.3209 8.7068 8.7068 16.5425 16.5425 17.3188 17.3188 17.8759 17.8759 18.3423 18.3423 k = 0.3115-0.0000-0.0000 ( 1762 PWs) bands (ev): -9.1384 -9.1384 -6.7490 -6.7490 -5.8889 -5.8889 -5.2717 -5.2717 0.2975 0.2975 0.9914 0.9914 1.7695 1.7695 2.5379 2.5379 2.6586 2.6586 3.4848 3.4848 3.7454 3.7454 5.4046 5.4046 5.4396 5.4396 6.5956 6.5956 7.2606 7.2606 8.6519 8.6519 16.4463 16.4463 17.3398 17.3398 17.7473 17.7473 18.3998 18.3998 k = 0.3197-0.0000-0.0000 ( 1762 PWs) bands (ev): -9.0628 -9.0628 -6.6928 -6.6928 -5.8536 -5.8536 -5.3158 -5.3158 0.2762 0.2762 0.9854 0.9854 1.6538 1.6538 2.5271 2.5271 2.6967 2.6967 3.5425 3.5425 3.7008 3.7008 5.3093 5.3093 5.4315 5.4315 6.5084 6.5084 7.2030 7.2030 8.5950 8.5950 16.3539 16.3539 17.3622 17.3622 17.6206 17.6206 18.4581 18.4581 k = 0.3279-0.0000-0.0000 ( 1762 PWs) bands (ev): -8.9856 -8.9856 -6.6363 -6.6363 -5.8192 -5.8192 -5.3641 -5.3641 0.2602 0.2602 0.9745 0.9745 1.5413 1.5413 2.5104 2.5104 2.7375 2.7375 3.5924 3.5924 3.6734 3.6734 5.2190 5.2190 5.4213 5.4213 6.4211 6.4211 7.1482 7.1482 8.5360 8.5360 16.2656 16.2656 17.3861 17.3861 17.4960 17.4960 18.5163 18.5163 k = 0.3361-0.0000-0.0000 ( 1762 PWs) bands (ev): -8.9068 -8.9068 -6.5794 -6.5794 -5.7858 -5.7858 -5.4165 -5.4165 0.2497 0.2497 0.9587 0.9587 1.4324 1.4324 2.4876 2.4876 2.7808 2.7808 3.6049 3.6049 3.6928 3.6928 5.1337 5.1337 5.4087 5.4087 6.3338 6.3338 7.0968 7.0968 8.4753 8.4753 16.1818 16.1818 17.3739 17.3739 17.4115 17.4115 18.5729 18.5729 k = 0.3443-0.0000-0.0000 ( 1762 PWs) bands (ev): -8.8265 -8.8265 -6.5223 -6.5223 -5.7537 -5.7537 -5.4731 -5.4731 0.2449 0.2449 0.9382 0.9382 1.3273 1.3273 2.4584 2.4584 2.8263 2.8263 3.5919 3.5919 3.7471 3.7471 5.0534 5.0534 5.3935 5.3935 6.2469 6.2469 7.0491 7.0491 8.4130 8.4130 16.1027 16.1027 17.2543 17.2543 17.4384 17.4384 18.6264 18.6264 k = 0.3525-0.0000-0.0000 ( 1766 PWs) bands (ev): -8.7446 -8.7446 -6.4652 -6.4652 -5.7230 -5.7230 -5.5336 -5.5336 0.2458 0.2458 0.9130 0.9130 1.2262 1.2262 2.4228 2.4228 2.8739 2.8739 3.5814 3.5814 3.8083 3.8083 4.9780 4.9780 5.3754 5.3754 6.1607 6.1607 7.0055 7.0055 8.3491 8.3491 16.0285 16.0285 17.1375 17.1375 17.4669 17.4669 18.6741 18.6741 k = 0.3607-0.0000-0.0000 ( 1768 PWs) bands (ev): -8.6613 -8.6613 -6.4082 -6.4082 -5.6938 -5.6938 -5.5980 -5.5980 0.2525 0.2525 0.8837 0.8837 1.1294 1.1294 2.3807 2.3807 2.9233 2.9233 3.5778 3.5778 3.8715 3.8715 4.9071 4.9071 5.3540 5.3540 6.0754 6.0754 6.9664 6.9664 8.2838 8.2838 15.9596 15.9596 17.0235 17.0235 17.4971 17.4971 18.7132 18.7132 k = 0.3689-0.0000-0.0000 ( 1768 PWs) bands (ev): -8.5766 -8.5766 -6.3514 -6.3514 -5.6666 -5.6666 -5.6661 -5.6661 0.2649 0.2649 0.8507 0.8507 1.0372 1.0372 2.3324 2.3324 2.9745 2.9745 3.5819 3.5819 3.9357 3.9357 4.8404 4.8404 5.3290 5.3290 5.9914 5.9914 6.9323 6.9323 8.2174 8.2174 15.8960 15.8960 16.9127 16.9127 17.5288 17.5288 18.7411 18.7411 k = 0.3770-0.0000-0.0000 ( 1774 PWs) bands (ev): -8.4904 -8.4904 -6.2950 -6.2950 -5.7377 -5.7377 -5.6413 -5.6413 0.2831 0.2831 0.8144 0.8144 0.9498 0.9498 2.2781 2.2781 3.0273 3.0273 3.5935 3.5935 4.0005 4.0005 4.7772 4.7772 5.3000 5.3000 5.9092 5.9092 6.9035 6.9035 8.1499 8.1499 15.8380 15.8380 16.8052 16.8052 17.5621 17.5621 18.7558 18.7558 k = 0.3852-0.0000-0.0000 ( 1774 PWs) bands (ev): -8.4030 -8.4030 -6.2391 -6.2391 -5.8126 -5.8126 -5.6184 -5.6184 0.3068 0.3068 0.7757 0.7757 0.8674 0.8674 2.2184 2.2184 3.0816 3.0816 3.6124 3.6124 4.0657 4.0657 4.7171 4.7171 5.2666 5.2666 5.8291 5.8291 6.8803 6.8803 8.0816 8.0816 15.7858 15.7858 16.7011 16.7011 17.5970 17.5970 18.7577 18.7577 k = 0.3934-0.0000-0.0000 ( 1774 PWs) bands (ev): -8.3143 -8.3143 -6.1840 -6.1840 -5.8906 -5.8906 -5.5979 -5.5979 0.3359 0.3359 0.7352 0.7352 0.7904 0.7904 2.1536 2.1536 3.1372 3.1372 3.6380 3.6380 4.1312 4.1312 4.6594 4.6594 5.2284 5.2284 5.7517 5.7517 6.8630 6.8630 8.0126 8.0126 15.7395 15.7395 16.6006 16.6006 17.6335 17.6335 18.7479 18.7479 k = 0.4016-0.0000-0.0000 ( 1774 PWs) bands (ev): -8.2244 -8.2244 -6.1299 -6.1299 -5.9715 -5.9715 -5.5800 -5.5800 0.3702 0.3702 0.6936 0.6936 0.7190 0.7190 2.0843 2.0843 3.1939 3.1939 3.6699 3.6699 4.1967 4.1967 4.6034 4.6034 5.1850 5.1850 5.6773 5.6773 6.8517 6.8517 7.9432 7.9432 15.6991 15.6991 16.5039 16.5039 17.6714 17.6714 18.7286 18.7286 k = 0.4098-0.0000-0.0000 ( 1774 PWs) bands (ev): -8.1333 -8.1333 -6.0768 -6.0768 -6.0550 -6.0550 -5.5650 -5.5650 0.4097 0.4097 0.6515 0.6515 0.6533 0.6533 2.0110 2.0110 3.2518 3.2518 3.7075 3.7075 4.2622 4.2622 4.5485 4.5485 5.1363 5.1363 5.6062 5.6062 6.8465 6.8465 7.8736 7.8736 15.6649 15.6649 16.4112 16.4112 17.7108 17.7108 18.7020 18.7020 k = 0.4180-0.0000-0.0000 ( 1774 PWs) bands (ev): -8.0412 -8.0412 -6.1409 -6.1409 -6.0251 -6.0251 -5.5531 -5.5531 0.4539 0.4539 0.5933 0.5933 0.6098 0.6098 1.9345 1.9345 3.3106 3.3106 3.7505 3.7505 4.3275 4.3275 4.4943 4.4943 5.0823 5.0823 5.5384 5.5384 6.8477 6.8477 7.8039 7.8039 15.6368 15.6368 16.3225 16.3225 17.7516 17.7516 18.6698 18.6698 k = 0.4262-0.0000-0.0000 ( 1766 PWs) bands (ev): -7.9481 -7.9481 -6.2289 -6.2289 -5.9748 -5.9748 -5.5444 -5.5444 0.5028 0.5028 0.5396 0.5396 0.5690 0.5690 1.8554 1.8554 3.3703 3.3703 3.7982 3.7982 4.3926 4.3926 4.4402 4.4402 5.0232 5.0232 5.4739 5.4739 6.8550 6.8550 7.7346 7.7346 15.6149 15.6149 16.2382 16.2382 17.7938 17.7938 18.6331 18.6331 k = 0.4344-0.0000-0.0000 ( 1770 PWs) bands (ev): -7.8541 -7.8541 -6.3189 -6.3189 -5.9264 -5.9264 -5.5390 -5.5390 0.4920 0.4920 0.5297 0.5297 0.5561 0.5561 1.7740 1.7740 3.4306 3.4306 3.8503 3.8503 4.3856 4.3856 4.4575 4.4575 4.9596 4.9596 5.4121 5.4121 6.8683 6.8683 7.6656 7.6656 15.5993 15.5993 16.1582 16.1582 17.8371 17.8371 18.5931 18.5931 k = 0.4426-0.0000-0.0000 ( 1774 PWs) bands (ev): -7.7592 -7.7592 -6.4105 -6.4105 -5.8798 -5.8798 -5.5371 -5.5371 0.4506 0.4506 0.4927 0.4927 0.6135 0.6135 1.6912 1.6912 3.4915 3.4915 3.9063 3.9063 4.3306 4.3306 4.5217 4.5217 4.8922 4.8922 5.3526 5.3526 6.8876 6.8876 7.5972 7.5972 15.5899 15.5899 16.0828 16.0828 17.8816 17.8816 18.5504 18.5504 k = 0.4508-0.0000-0.0000 ( 1776 PWs) bands (ev): -7.6636 -7.6636 -6.5036 -6.5036 -5.8355 -5.8355 -5.5388 -5.5388 0.4157 0.4157 0.4585 0.4585 0.6747 0.6747 1.6073 1.6073 3.5528 3.5528 3.9657 3.9657 4.2749 4.2749 4.5854 4.5854 4.8219 4.8219 5.2946 5.2946 6.9126 6.9126 7.5299 7.5299 15.5868 15.5868 16.0122 16.0122 17.9272 17.9272 18.5058 18.5058 k = 0.4590-0.0000-0.0000 ( 1776 PWs) bands (ev): -7.5674 -7.5674 -6.5979 -6.5979 -5.7935 -5.7935 -5.5442 -5.5442 0.3871 0.3871 0.4275 0.4275 0.7396 0.7396 1.5229 1.5229 3.6145 3.6145 4.0284 4.0284 4.2184 4.2184 4.6485 4.6485 4.7494 4.7494 5.2376 5.2376 6.9429 6.9429 7.4639 7.4639 15.5899 15.5899 15.9465 15.9465 17.9738 17.9738 18.4595 18.4595 k = 0.4672-0.0000-0.0000 ( 1780 PWs) bands (ev): -7.4707 -7.4707 -6.6932 -6.6932 -5.7541 -5.7541 -5.5533 -5.5533 0.3649 0.3649 0.4004 0.4004 0.8078 0.8078 1.4385 1.4385 3.6763 3.6763 4.0937 4.0937 4.1609 4.1609 4.6752 4.6752 4.7109 4.7109 5.1811 5.1811 6.9783 6.9783 7.3993 7.3993 15.5991 15.5991 15.8858 15.8858 18.0211 18.0211 18.4120 18.4120 k = 0.4754-0.0000-0.0000 ( 1776 PWs) bands (ev): -7.3735 -7.3735 -6.7893 -6.7893 -5.7175 -5.7175 -5.5660 -5.5660 0.3490 0.3490 0.3775 0.3775 0.8791 0.8791 1.3545 1.3545 3.7382 3.7382 4.1025 4.1025 4.1616 4.1616 4.6005 4.6005 4.7725 4.7725 5.1245 5.1245 7.0183 7.0183 7.3366 7.3366 15.6146 15.6146 15.8304 15.8304 18.0692 18.0692 18.3637 18.3637 k = 0.4836-0.0000-0.0000 ( 1774 PWs) bands (ev): -7.2761 -7.2761 -6.8861 -6.8861 -5.6839 -5.6839 -5.5825 -5.5825 0.3393 0.3393 0.3592 0.3592 0.9532 0.9532 1.2712 1.2712 3.8000 3.8000 4.0433 4.0433 4.2315 4.2315 4.5254 4.5254 4.8332 4.8332 5.0677 5.0677 7.0627 7.0627 7.2761 7.2761 15.6360 15.6360 15.7803 15.7803 18.1178 18.1178 18.3148 18.3148 k = 0.4918-0.0000-0.0000 ( 1782 PWs) bands (ev): -7.1785 -7.1785 -6.9833 -6.9833 -5.6535 -5.6535 -5.6027 -5.6027 0.3357 0.3357 0.3459 0.3459 1.0298 1.0298 1.1891 1.1891 3.8615 3.8615 3.9833 3.9833 4.3031 4.3031 4.4505 4.4505 4.8931 4.8931 5.0102 5.0102 7.1110 7.1110 7.2181 7.2181 15.6634 15.6634 15.7356 15.7356 18.1668 18.1668 18.2655 18.2655 k = 0.5000-0.0000-0.0000 ( 1782 PWs) bands (ev): -7.0809 -7.0809 -7.0808 -7.0808 -5.6263 -5.6263 -5.6263 -5.6263 0.3380 0.3380 0.3380 0.3380 1.1085 1.1085 1.1085 1.1085 3.9226 3.9226 3.9228 3.9228 4.3762 4.3762 4.3763 4.3763 4.9520 4.9520 4.9521 4.9521 7.1630 7.1630 7.1630 7.1630 15.6966 15.6966 15.6967 15.6967 18.2161 18.2161 18.2162 18.2162 k = 0.5000-0.0000-0.0000 ( 1782 PWs) bands (ev): -7.0809 -7.0809 -7.0808 -7.0808 -5.6263 -5.6263 -5.6263 -5.6263 0.3380 0.3380 0.3380 0.3380 1.1085 1.1085 1.1085 1.1085 3.9226 3.9226 3.9228 3.9228 4.3762 4.3762 4.3763 4.3763 4.9520 4.9520 4.9521 4.9521 7.1630 7.1630 7.1630 7.1630 15.6966 15.6966 15.6967 15.6967 18.2161 18.2161 18.2162 18.2162 k = 0.5000 0.0081-0.0000 ( 1782 PWs) bands (ev): -7.0804 -7.0804 -7.0803 -7.0803 -5.6268 -5.6268 -5.6267 -5.6267 0.3355 0.3355 0.3357 0.3357 1.1110 1.1110 1.1113 1.1113 3.9077 3.9077 3.9081 3.9081 4.3871 4.3871 4.3877 4.3877 4.9545 4.9545 4.9546 4.9546 7.1655 7.1655 7.1656 7.1656 15.6983 15.6983 15.6984 15.6984 18.2170 18.2170 18.2171 18.2171 k = 0.5000 0.0163-0.0000 ( 1786 PWs) bands (ev): -7.0789 -7.0789 -7.0788 -7.0788 -5.6280 -5.6280 -5.6279 -5.6279 0.3285 0.3285 0.3289 0.3289 1.1187 1.1187 1.1192 1.1192 3.8674 3.8674 3.8681 3.8681 4.4155 4.4155 4.4166 4.4166 4.9625 4.9625 4.9628 4.9628 7.1731 7.1731 7.1732 7.1732 15.7034 15.7034 15.7035 15.7035 18.2197 18.2197 18.2199 18.2199 k = 0.5000 0.0244-0.0000 ( 1790 PWs) bands (ev): -7.0764 -7.0764 -7.0764 -7.0764 -5.6300 -5.6300 -5.6299 -5.6299 0.3172 0.3172 0.3177 0.3177 1.1313 1.1313 1.1319 1.1319 3.8105 3.8105 3.8113 3.8113 4.4516 4.4516 4.4531 4.4531 4.9775 4.9775 4.9778 4.9778 7.1857 7.1857 7.1859 7.1859 15.7119 15.7119 15.7121 15.7121 18.2243 18.2243 18.2245 18.2245 k = 0.5000 0.0325-0.0000 ( 1790 PWs) bands (ev): -7.0729 -7.0729 -7.0729 -7.0729 -5.6328 -5.6328 -5.6328 -5.6328 0.3022 0.3022 0.3028 0.3028 1.1483 1.1483 1.1491 1.1491 3.7436 3.7436 3.7445 3.7445 4.4866 4.4866 4.4884 4.4884 5.0014 5.0014 5.0019 5.0019 7.2032 7.2032 7.2034 7.2034 15.7238 15.7238 15.7240 15.7240 18.2307 18.2307 18.2310 18.2310 k = 0.5000 0.0406-0.0000 ( 1782 PWs) bands (ev): -7.0685 -7.0685 -7.0685 -7.0685 -5.6364 -5.6364 -5.6364 -5.6364 0.2840 0.2840 0.2847 0.2847 1.1691 1.1691 1.1700 1.1700 3.6712 3.6712 3.6721 3.6721 4.5146 4.5146 4.5167 4.5167 5.0360 5.0360 5.0366 5.0366 7.2254 7.2254 7.2257 7.2257 15.7391 15.7391 15.7392 15.7392 18.2389 18.2389 18.2392 18.2392 k = 0.5000 0.0488-0.0000 ( 1778 PWs) bands (ev): -7.0631 -7.0631 -7.0631 -7.0631 -5.6408 -5.6408 -5.6408 -5.6408 0.2632 0.2632 0.2640 0.2640 1.1931 1.1931 1.1942 1.1942 3.5958 3.5958 3.5968 3.5968 4.5324 4.5324 4.5346 4.5346 5.0822 5.0822 5.0829 5.0829 7.2520 7.2520 7.2524 7.2524 15.7575 15.7575 15.7577 15.7577 18.2489 18.2489 18.2494 18.2494 k = 0.5000 0.0569-0.0000 ( 1778 PWs) bands (ev): -7.0568 -7.0568 -7.0568 -7.0568 -5.6460 -5.6460 -5.6459 -5.6459 0.2403 0.2403 0.2411 0.2411 1.2198 1.2198 1.2209 1.2209 3.5190 3.5190 3.5200 3.5200 4.5393 4.5393 4.5417 4.5417 5.1389 5.1389 5.1396 5.1396 7.2829 7.2829 7.2833 7.2833 15.7792 15.7792 15.7794 15.7794 18.2608 18.2608 18.2613 18.2613 k = 0.5000 0.0650-0.0000 ( 1778 PWs) bands (ev): -7.0496 -7.0496 -7.0495 -7.0495 -5.6519 -5.6519 -5.6519 -5.6519 0.2159 0.2159 0.2168 0.2168 1.2484 1.2484 1.2496 1.2496 3.4419 3.4419 3.4430 3.4430 4.5365 4.5365 4.5390 4.5390 5.2043 5.2043 5.2051 5.2051 7.3178 7.3178 7.3182 7.3182 15.8041 15.8041 15.8043 15.8043 18.2744 18.2744 18.2750 18.2750 k = 0.5000 0.0731-0.0000 ( 1778 PWs) bands (ev): -7.0414 -7.0414 -7.0414 -7.0414 -5.6587 -5.6587 -5.6586 -5.6586 0.1904 0.1904 0.1914 0.1914 1.2787 1.2787 1.2799 1.2799 3.3653 3.3653 3.3664 3.3664 4.5255 4.5255 4.5282 4.5282 5.2762 5.2762 5.2770 5.2770 7.3563 7.3563 7.3567 7.3567 15.8320 15.8320 15.8322 15.8322 18.2898 18.2898 18.2904 18.2904 k = 0.5000 0.0813-0.0000 ( 1778 PWs) bands (ev): -7.0324 -7.0324 -7.0324 -7.0324 -5.6662 -5.6662 -5.6661 -5.6661 0.1643 0.1643 0.1653 0.1653 1.3100 1.3100 1.3113 1.3113 3.2896 3.2896 3.2908 3.2908 4.5081 4.5081 4.5108 4.5108 5.3528 5.3528 5.3535 5.3535 7.3981 7.3981 7.3986 7.3986 15.8629 15.8629 15.8631 15.8631 18.3070 18.3070 18.3077 18.3077 k = 0.5000 0.0894-0.0000 ( 1766 PWs) bands (ev): -7.0225 -7.0225 -7.0225 -7.0225 -5.6744 -5.6744 -5.6744 -5.6744 0.1379 0.1379 0.1389 0.1389 1.3421 1.3421 1.3434 1.3434 3.2155 3.2155 3.2167 3.2167 4.4855 4.4855 4.4883 4.4883 5.4324 5.4324 5.4332 5.4332 7.4430 7.4430 7.4435 7.4435 15.8967 15.8967 15.8969 15.8969 18.3259 18.3259 18.3266 18.3266 k = 0.5000 0.0975-0.0000 ( 1760 PWs) bands (ev): -7.0119 -7.0119 -7.0118 -7.0118 -5.6834 -5.6834 -5.6833 -5.6833 0.1115 0.1115 0.1125 0.1125 1.3745 1.3745 1.3758 1.3758 3.1434 3.1434 3.1447 3.1447 4.4587 4.4587 4.4615 4.4615 5.5138 5.5138 5.5145 5.5145 7.4906 7.4906 7.4910 7.4910 15.9333 15.9333 15.9335 15.9335 18.3464 18.3464 18.3472 18.3472 k = 0.5000 0.1057-0.0000 ( 1760 PWs) bands (ev): -7.0004 -7.0004 -7.0004 -7.0004 -5.6930 -5.6930 -5.6930 -5.6930 0.0854 0.0854 0.0864 0.0864 1.4067 1.4067 1.4080 1.4080 3.0735 3.0735 3.0748 3.0748 4.4286 4.4286 4.4314 4.4314 5.5961 5.5961 5.5968 5.5968 7.5404 7.5404 7.5409 7.5409 15.9726 15.9726 15.9728 15.9728 18.3685 18.3685 18.3694 18.3694 k = 0.5000 0.1138-0.0000 ( 1754 PWs) bands (ev): -6.9883 -6.9883 -6.9882 -6.9882 -5.7034 -5.7034 -5.7033 -5.7033 0.0597 0.0597 0.0607 0.0607 1.4386 1.4386 1.4399 1.4399 3.0063 3.0063 3.0077 3.0077 4.3957 4.3957 4.3985 4.3985 5.6787 5.6787 5.6793 5.6793 7.5923 7.5923 7.5927 7.5927 16.0145 16.0145 16.0147 16.0147 18.3921 18.3921 18.3930 18.3930 k = 0.5000 0.1219-0.0000 ( 1754 PWs) bands (ev): -6.9754 -6.9754 -6.9754 -6.9754 -5.7144 -5.7144 -5.7143 -5.7143 0.0347 0.0347 0.0356 0.0356 1.4697 1.4697 1.4709 1.4709 2.9422 2.9422 2.9436 2.9436 4.3605 4.3605 4.3634 4.3634 5.7608 5.7608 5.7615 5.7615 7.6457 7.6457 7.6461 7.6461 16.0589 16.0589 16.0591 16.0591 18.4171 18.4171 18.4180 18.4180 k = 0.5000 0.1300-0.0000 ( 1750 PWs) bands (ev): -6.9619 -6.9619 -6.9619 -6.9619 -5.7260 -5.7260 -5.7259 -5.7259 0.0104 0.0104 0.0113 0.0113 1.4995 1.4995 1.5007 1.5007 2.8815 2.8815 2.8831 2.8831 4.3236 4.3236 4.3264 4.3264 5.8422 5.8422 5.8428 5.8428 7.7005 7.7005 7.7008 7.7008 16.1057 16.1057 16.1060 16.1060 18.4432 18.4432 18.4442 18.4442 k = 0.5000 0.1382-0.0000 ( 1742 PWs) bands (ev): -6.9479 -6.9479 -6.9479 -6.9479 -5.7382 -5.7382 -5.7381 -5.7381 -0.0129 -0.0129 -0.0120 -0.0120 1.5279 1.5279 1.5290 1.5290 2.8248 2.8248 2.8264 2.8264 4.2851 4.2851 4.2880 4.2880 5.9223 5.9223 5.9230 5.9230 7.7561 7.7561 7.7565 7.7565 16.1549 16.1549 16.1551 16.1551 18.4702 18.4702 18.4713 18.4713 k = 0.5000 0.1463-0.0000 ( 1742 PWs) bands (ev): -6.9333 -6.9333 -6.9333 -6.9333 -5.7509 -5.7509 -5.7508 -5.7508 -0.0352 -0.0352 -0.0343 -0.0343 1.5542 1.5542 1.5552 1.5552 2.7723 2.7723 2.7740 2.7740 4.2454 4.2454 4.2483 4.2483 6.0008 6.0008 6.0014 6.0014 7.8122 7.8122 7.8126 7.8126 16.2063 16.2063 16.2065 16.2065 18.4978 18.4978 18.4989 18.4989 k = 0.5000 0.1544-0.0000 ( 1742 PWs) bands (ev): -6.9183 -6.9183 -6.9183 -6.9183 -5.7640 -5.7640 -5.7640 -5.7640 -0.0564 -0.0564 -0.0556 -0.0556 1.5782 1.5782 1.5791 1.5791 2.7246 2.7246 2.7264 2.7264 4.2049 4.2049 4.2078 4.2078 6.0774 6.0774 6.0780 6.0780 7.8685 7.8685 7.8688 7.8688 16.2599 16.2599 16.2601 16.2601 18.5256 18.5256 18.5267 18.5267 k = 0.5000 0.1625-0.0000 ( 1742 PWs) bands (ev): -6.9030 -6.9030 -6.9030 -6.9030 -5.7776 -5.7776 -5.7775 -5.7775 -0.0764 -0.0764 -0.0756 -0.0756 1.5993 1.5993 1.6001 1.6001 2.6821 2.6821 2.6840 2.6840 4.1638 4.1638 4.1666 4.1666 6.1518 6.1518 6.1524 6.1524 7.9246 7.9246 7.9249 7.9249 16.3156 16.3156 16.3158 16.3158 18.5528 18.5528 18.5540 18.5540 k = 0.5000 0.1707-0.0000 ( 1752 PWs) bands (ev): -6.8874 -6.8874 -6.8874 -6.8874 -5.7915 -5.7915 -5.7914 -5.7914 -0.0953 -0.0953 -0.0945 -0.0945 1.6173 1.6173 1.6180 1.6180 2.6451 2.6451 2.6471 2.6471 4.1222 4.1222 4.1250 4.1250 6.2235 6.2235 6.2241 6.2241 7.9800 7.9800 7.9803 7.9803 16.3734 16.3734 16.3735 16.3735 18.5786 18.5786 18.5797 18.5797 k = 0.5000 0.1788-0.0000 ( 1752 PWs) bands (ev): -6.8716 -6.8716 -6.8716 -6.8716 -5.8056 -5.8056 -5.8056 -5.8056 -0.1128 -0.1128 -0.1121 -0.1121 1.6317 1.6317 1.6323 1.6323 2.6140 2.6140 2.6161 2.6161 4.0806 4.0806 4.0833 4.0833 6.2926 6.2926 6.2931 6.2931 8.0346 8.0346 8.0348 8.0348 16.4332 16.4332 16.4333 16.4333 18.6015 18.6015 18.6027 18.6027 k = 0.5000 0.1869-0.0000 ( 1752 PWs) bands (ev): -6.8557 -6.8557 -6.8557 -6.8557 -5.8199 -5.8199 -5.8198 -5.8198 -0.1291 -0.1291 -0.1284 -0.1284 1.6424 1.6424 1.6429 1.6429 2.5891 2.5891 2.5913 2.5913 4.0391 4.0391 4.0418 4.0418 6.3586 6.3586 6.3591 6.3591 8.0878 8.0878 8.0880 8.0880 16.4950 16.4950 16.4951 16.4951 18.6195 18.6195 18.6206 18.6206 k = 0.5000 0.1950-0.0000 ( 1752 PWs) bands (ev): -6.8399 -6.8399 -6.8399 -6.8399 -5.8342 -5.8342 -5.8342 -5.8342 -0.1441 -0.1441 -0.1434 -0.1434 1.6493 1.6493 1.6497 1.6497 2.5703 2.5703 2.5725 2.5725 3.9981 3.9981 4.0007 4.0007 6.4213 6.4213 6.4218 6.4218 8.1393 8.1393 8.1395 8.1395 16.5588 16.5588 16.5589 16.5589 18.6296 18.6296 18.6306 18.6306 k = 0.5000 0.2032-0.0000 ( 1752 PWs) bands (ev): -6.8243 -6.8243 -6.8242 -6.8242 -5.8485 -5.8485 -5.8484 -5.8484 -0.1578 -0.1578 -0.1572 -0.1572 1.6525 1.6525 1.6528 1.6528 2.5575 2.5575 2.5598 2.5598 3.9577 3.9577 3.9603 3.9603 6.4804 6.4804 6.4808 6.4808 8.1888 8.1888 8.1890 8.1890 16.6246 16.6246 16.6246 16.6246 18.6275 18.6275 18.6284 18.6284 k = 0.5000 0.2113-0.0000 ( 1748 PWs) bands (ev): -6.8089 -6.8089 -6.8089 -6.8089 -5.8625 -5.8625 -5.8624 -5.8624 -0.1703 -0.1703 -0.1697 -0.1697 1.6523 1.6523 1.6525 1.6525 2.5502 2.5502 2.5525 2.5525 3.9183 3.9183 3.9208 3.9208 6.5358 6.5358 6.5363 6.5363 8.2359 8.2359 8.2360 8.2360 16.6922 16.6922 16.6923 16.6923 18.6086 18.6086 18.6092 18.6092 k = 0.5000 0.2194-0.0000 ( 1748 PWs) bands (ev): -6.7940 -6.7940 -6.7940 -6.7940 -5.8762 -5.8762 -5.8761 -5.8761 -0.1815 -0.1815 -0.1809 -0.1809 1.6493 1.6493 1.6493 1.6493 2.5479 2.5479 2.5501 2.5501 3.8803 3.8803 3.8827 3.8827 6.5872 6.5872 6.5876 6.5876 8.2802 8.2802 8.2803 8.2803 16.7618 16.7618 16.7620 16.7620 18.5694 18.5694 18.5696 18.5696 k = 0.5000 0.2276-0.0000 ( 1744 PWs) bands (ev): -6.7797 -6.7797 -6.7797 -6.7797 -5.8893 -5.8893 -5.8893 -5.8893 -0.1914 -0.1914 -0.1910 -0.1910 1.6439 1.6439 1.6439 1.6439 2.5497 2.5497 2.5519 2.5519 3.8440 3.8440 3.8462 3.8462 6.6344 6.6344 6.6348 6.6348 8.3215 8.3215 8.3216 8.3216 16.8333 16.8333 16.8335 16.8335 18.5099 18.5099 18.5101 18.5101 k = 0.5000 0.2357-0.0000 ( 1744 PWs) bands (ev): -6.7663 -6.7663 -6.7663 -6.7663 -5.9018 -5.9018 -5.9018 -5.9018 -0.2002 -0.2002 -0.1998 -0.1998 1.6369 1.6369 1.6369 1.6369 2.5548 2.5548 2.5569 2.5569 3.8097 3.8097 3.8117 3.8117 6.6772 6.6772 6.6775 6.6775 8.3594 8.3594 8.3594 8.3594 16.9067 16.9067 16.9069 16.9069 18.4342 18.4342 18.4346 18.4346 k = 0.5000 0.2438-0.0000 ( 1748 PWs) bands (ev): -6.7538 -6.7538 -6.7537 -6.7537 -5.9134 -5.9134 -5.9134 -5.9134 -0.2079 -0.2079 -0.2075 -0.2075 1.6289 1.6289 1.6290 1.6290 2.5623 2.5623 2.5642 2.5642 3.7778 3.7778 3.7797 3.7797 6.7154 6.7154 6.7157 6.7157 8.3935 8.3935 8.3935 8.3935 16.9817 16.9817 16.9820 16.9820 18.3477 18.3477 18.3483 18.3483 k = 0.5000 0.2519-0.0000 ( 1752 PWs) bands (ev): -6.7424 -6.7424 -6.7424 -6.7424 -5.9240 -5.9240 -5.9240 -5.9240 -0.2144 -0.2144 -0.2141 -0.2141 1.6207 1.6207 1.6208 1.6208 2.5712 2.5712 2.5729 2.5729 3.7489 3.7489 3.7506 3.7506 6.7488 6.7488 6.7491 6.7491 8.4236 8.4236 8.4237 8.4237 17.0583 17.0583 17.0586 17.0586 18.2551 18.2551 18.2559 18.2559 k = 0.5000 0.2601-0.0000 ( 1748 PWs) bands (ev): -6.7324 -6.7324 -6.7324 -6.7324 -5.9334 -5.9334 -5.9333 -5.9333 -0.2198 -0.2198 -0.2196 -0.2196 1.6128 1.6128 1.6128 1.6128 2.5806 2.5806 2.5821 2.5821 3.7234 3.7234 3.7248 3.7248 6.7774 6.7774 6.7776 6.7776 8.4497 8.4497 8.4497 8.4497 17.1358 17.1358 17.1362 17.1362 18.1604 18.1604 18.1611 18.1611 k = 0.5000 0.2682-0.0000 ( 1752 PWs) bands (ev): -6.7239 -6.7239 -6.7239 -6.7239 -5.9413 -5.9413 -5.9413 -5.9413 -0.2242 -0.2242 -0.2240 -0.2240 1.6056 1.6056 1.6057 1.6057 2.5896 2.5896 2.5909 2.5909 3.7017 3.7017 3.7029 3.7029 6.8009 6.8009 6.8011 6.8011 8.4712 8.4712 8.4712 8.4712 17.2135 17.2135 17.2140 17.2140 18.0664 18.0664 18.0672 18.0672 k = 0.5000 0.2763-0.0000 ( 1752 PWs) bands (ev): -6.7171 -6.7171 -6.7171 -6.7171 -5.9477 -5.9477 -5.9477 -5.9477 -0.2276 -0.2276 -0.2275 -0.2275 1.5997 1.5997 1.5997 1.5997 2.5976 2.5976 2.5986 2.5986 3.6843 3.6843 3.6852 3.6852 6.8193 6.8193 6.8194 6.8194 8.4882 8.4882 8.4882 8.4882 17.2895 17.2895 17.2900 17.2900 17.9766 17.9766 17.9773 17.9773 k = 0.5000 0.2844-0.0000 ( 1752 PWs) bands (ev): -6.7122 -6.7122 -6.7122 -6.7122 -5.9524 -5.9524 -5.9524 -5.9524 -0.2300 -0.2300 -0.2299 -0.2299 1.5952 1.5952 1.5952 1.5952 2.6038 2.6038 2.6045 2.6045 3.6715 3.6715 3.6722 3.6722 6.8326 6.8326 6.8327 6.8327 8.5004 8.5004 8.5004 8.5004 17.3598 17.3598 17.3602 17.3602 17.8959 17.8959 17.8965 17.8965 k = 0.5000 0.2926-0.0000 ( 1752 PWs) bands (ev): -6.7091 -6.7091 -6.7091 -6.7091 -5.9552 -5.9552 -5.9552 -5.9552 -0.2314 -0.2314 -0.2314 -0.2314 1.5925 1.5925 1.5925 1.5925 2.6078 2.6078 2.6082 2.6082 3.6638 3.6638 3.6642 3.6642 6.8406 6.8406 6.8407 6.8407 8.5078 8.5078 8.5078 8.5078 17.4150 17.4150 17.4153 17.4153 17.8343 17.8343 17.8347 17.8347 k = 0.5000 0.3007-0.0000 ( 1752 PWs) bands (ev): -6.7081 -6.7081 -6.7081 -6.7081 -5.9562 -5.9562 -5.9562 -5.9562 -0.2319 -0.2319 -0.2319 -0.2319 1.5915 1.5915 1.5915 1.5915 2.6093 2.6093 2.6093 2.6093 3.6614 3.6614 3.6614 3.6614 6.8433 6.8433 6.8433 6.8433 8.5102 8.5102 8.5102 8.5102 17.4376 17.4376 17.4376 17.4376 17.8099 17.8099 17.8099 17.8099 k = 0.5000 0.3007-0.0000 ( 1752 PWs) bands (ev): -6.7081 -6.7081 -6.7081 -6.7081 -5.9562 -5.9562 -5.9562 -5.9562 -0.2319 -0.2319 -0.2319 -0.2319 1.5915 1.5915 1.5915 1.5915 2.6093 2.6093 2.6093 2.6093 3.6614 3.6614 3.6614 3.6614 6.8433 6.8433 6.8433 6.8433 8.5102 8.5102 8.5102 8.5102 17.4376 17.4376 17.4376 17.4376 17.8099 17.8099 17.8099 17.8099 k = 0.4918 0.3007-0.0000 ( 1752 PWs) bands (ev): -6.7161 -6.7161 -6.7161 -6.7161 -5.9498 -5.9498 -5.9498 -5.9498 -0.2317 -0.2317 -0.2316 -0.2316 1.5962 1.5962 1.5963 1.5963 2.6017 2.6017 2.6019 2.6019 3.6687 3.6687 3.6690 3.6690 6.8430 6.8430 6.8430 6.8430 8.5096 8.5096 8.5097 8.5097 17.4324 17.4324 17.4327 17.4327 17.8177 17.8177 17.8180 17.8180 k = 0.4836 0.3007-0.0000 ( 1752 PWs) bands (ev): -6.7392 -6.7392 -6.7392 -6.7392 -5.9317 -5.9317 -5.9316 -5.9316 -0.2310 -0.2310 -0.2309 -0.2309 1.6104 1.6104 1.6105 1.6105 2.5798 2.5798 2.5802 2.5802 3.6904 3.6904 3.6909 3.6909 6.8420 6.8420 6.8421 6.8421 8.5079 8.5079 8.5081 8.5081 17.4181 17.4181 17.4186 17.4186 17.8404 17.8404 17.8410 17.8410 k = 0.4754 0.3007-0.0000 ( 1754 PWs) bands (ev): -6.7753 -6.7753 -6.7753 -6.7753 -5.9038 -5.9038 -5.9038 -5.9038 -0.2297 -0.2297 -0.2295 -0.2295 1.6337 1.6337 1.6338 1.6338 2.5452 2.5452 2.5459 2.5459 3.7247 3.7247 3.7255 3.7255 6.8404 6.8404 6.8405 6.8405 8.5051 8.5051 8.5054 8.5054 17.3976 17.3976 17.3983 17.3983 17.8751 17.8751 17.8759 17.8759 k = 0.4672 0.3007-0.0000 ( 1754 PWs) bands (ev): -6.8218 -6.8218 -6.8218 -6.8218 -5.8690 -5.8690 -5.8689 -5.8689 -0.2274 -0.2274 -0.2272 -0.2272 1.6659 1.6659 1.6661 1.6661 2.5003 2.5003 2.5011 2.5011 3.7695 3.7695 3.7704 3.7704 6.8381 6.8381 6.8384 6.8384 8.5013 8.5013 8.5017 8.5017 17.3737 17.3737 17.3745 17.3745 17.9190 17.9190 17.9200 17.9200 k = 0.4590 0.3007-0.0000 ( 1758 PWs) bands (ev): -6.8762 -6.8762 -6.8762 -6.8762 -5.8295 -5.8295 -5.8295 -5.8295 -0.2237 -0.2237 -0.2235 -0.2235 1.7067 1.7067 1.7069 1.7069 2.4472 2.4472 2.4481 2.4481 3.8224 3.8224 3.8234 3.8234 6.8353 6.8353 6.8356 6.8356 8.4964 8.4964 8.4969 8.4969 17.3485 17.3485 17.3494 17.3494 17.9698 17.9698 17.9709 17.9709 k = 0.4508 0.3007-0.0000 ( 1758 PWs) bands (ev): -6.9366 -6.9366 -6.9365 -6.9365 -5.7876 -5.7876 -5.7875 -5.7875 -0.2182 -0.2182 -0.2179 -0.2179 1.7555 1.7555 1.7558 1.7558 2.3879 2.3879 2.3889 2.3889 3.8815 3.8815 3.8827 3.8827 6.8319 6.8319 6.8322 6.8322 8.4906 8.4906 8.4912 8.4912 17.3234 17.3234 17.3244 17.3244 18.0260 18.0260 18.0271 18.0271 k = 0.4426 0.3007-0.0000 ( 1754 PWs) bands (ev): -7.0013 -7.0013 -7.0013 -7.0013 -5.7447 -5.7447 -5.7446 -5.7446 -0.2104 -0.2104 -0.2100 -0.2100 1.8119 1.8119 1.8123 1.8123 2.3241 2.3241 2.3252 2.3252 3.9451 3.9451 3.9464 3.9464 6.8280 6.8280 6.8284 6.8284 8.4838 8.4838 8.4845 8.4845 17.2994 17.2994 17.3004 17.3004 18.0863 18.0863 18.0876 18.0876 k = 0.4344 0.3007-0.0000 ( 1758 PWs) bands (ev): -7.0693 -7.0693 -7.0692 -7.0692 -5.7022 -5.7022 -5.7021 -5.7021 -0.1998 -0.1998 -0.1994 -0.1994 1.8753 1.8753 1.8757 1.8757 2.2571 2.2571 2.2582 2.2582 4.0120 4.0120 4.0134 4.0134 6.8234 6.8234 6.8238 6.8238 8.4762 8.4762 8.4769 8.4769 17.2770 17.2770 17.2781 17.2781 18.1498 18.1498 18.1512 18.1512 k = 0.4262 0.3007-0.0000 ( 1754 PWs) bands (ev): -7.1396 -7.1396 -7.1396 -7.1396 -5.6608 -5.6608 -5.6607 -5.6607 -0.1860 -0.1860 -0.1855 -0.1855 1.9451 1.9451 1.9456 1.9456 2.1880 2.1880 2.1890 2.1890 4.0811 4.0811 4.0826 4.0826 6.8183 6.8183 6.8188 6.8188 8.4677 8.4677 8.4686 8.4686 17.2568 17.2568 17.2579 17.2579 18.2157 18.2157 18.2172 18.2172 k = 0.4180 0.3007-0.0000 ( 1758 PWs) bands (ev): -7.2116 -7.2116 -7.2116 -7.2116 -5.6213 -5.6213 -5.6212 -5.6212 -0.1684 -0.1684 -0.1679 -0.1679 2.0202 2.0202 2.0211 2.0211 2.1182 2.1182 2.1189 2.1189 4.1516 4.1516 4.1531 4.1531 6.8125 6.8125 6.8131 6.8131 8.4585 8.4585 8.4595 8.4595 17.2389 17.2389 17.2400 17.2400 18.2826 18.2826 18.2843 18.2843 k = 0.4098 0.3007-0.0000 ( 1758 PWs) bands (ev): -7.2848 -7.2848 -7.2847 -7.2847 -5.5843 -5.5843 -5.5842 -5.5842 -0.1469 -0.1469 -0.1463 -0.1463 2.0423 2.0423 2.0446 2.0446 2.1055 2.1055 2.1061 2.1061 4.2228 4.2228 4.2244 4.2244 6.8064 6.8064 6.8070 6.8070 8.4487 8.4487 8.4498 8.4498 17.2236 17.2236 17.2248 17.2248 18.3491 18.3491 18.3509 18.3509 k = 0.4016 0.3007-0.0000 ( 1758 PWs) bands (ev): -7.3587 -7.3587 -7.3586 -7.3586 -5.5501 -5.5501 -5.5499 -5.5499 -0.1210 -0.1210 -0.1203 -0.1203 1.9724 1.9724 1.9741 1.9741 2.1908 2.1908 2.1909 2.1909 4.2943 4.2943 4.2960 4.2960 6.7998 6.7998 6.8005 6.8005 8.4383 8.4383 8.4395 8.4395 17.2112 17.2112 17.2124 17.2124 18.4128 18.4128 18.4148 18.4148 k = 0.3934 0.3007-0.0000 ( 1752 PWs) bands (ev): -7.4330 -7.4330 -7.4329 -7.4329 -5.5190 -5.5190 -5.5188 -5.5188 -0.0906 -0.0906 -0.0899 -0.0899 1.9012 1.9012 1.9028 1.9028 2.2818 2.2818 2.2821 2.2821 4.3657 4.3657 4.3674 4.3674 6.7927 6.7927 6.7935 6.7935 8.4275 8.4275 8.4287 8.4287 17.2016 17.2016 17.2029 17.2029 18.4701 18.4701 18.4724 18.4724 k = 0.3852 0.3007-0.0000 ( 1752 PWs) bands (ev): -7.5075 -7.5075 -7.5074 -7.5074 -5.4912 -5.4912 -5.4911 -5.4911 -0.0555 -0.0555 -0.0548 -0.0548 1.8305 1.8305 1.8321 1.8321 2.3772 2.3772 2.3776 2.3776 4.4365 4.4365 4.4383 4.4383 6.7852 6.7852 6.7860 6.7860 8.4162 8.4162 8.4175 8.4175 17.1951 17.1951 17.1963 17.1963 18.5161 18.5161 18.5186 18.5186 k = 0.3770 0.3007-0.0000 ( 1750 PWs) bands (ev): -7.5818 -7.5818 -7.5818 -7.5818 -5.4670 -5.4670 -5.4668 -5.4668 -0.0159 -0.0159 -0.0150 -0.0150 1.7609 1.7609 1.7625 1.7625 2.4765 2.4765 2.4769 2.4769 4.5066 4.5066 4.5084 4.5084 6.7773 6.7773 6.7782 6.7782 8.4046 8.4046 8.4061 8.4061 17.1917 17.1917 17.1930 17.1930 18.5456 18.5456 18.5483 18.5483 k = 0.3689 0.3007-0.0000 ( 1754 PWs) bands (ev): -7.6559 -7.6559 -7.6558 -7.6558 -5.4462 -5.4462 -5.4461 -5.4461 0.0283 0.0283 0.0292 0.0292 1.6928 1.6928 1.6945 1.6945 2.5793 2.5793 2.5798 2.5798 4.5755 4.5755 4.5774 4.5774 6.7691 6.7691 6.7701 6.7701 8.3928 8.3928 8.3943 8.3943 17.1915 17.1915 17.1928 17.1928 18.5557 18.5557 18.5584 18.5584 k = 0.3607 0.3007-0.0000 ( 1758 PWs) bands (ev): -7.7295 -7.7295 -7.7295 -7.7295 -5.4291 -5.4291 -5.4290 -5.4290 0.0767 0.0767 0.0777 0.0777 1.6268 1.6268 1.6286 1.6286 2.6852 2.6852 2.6857 2.6857 4.6430 4.6430 4.6450 4.6450 6.7606 6.7606 6.7617 6.7617 8.3808 8.3808 8.3824 8.3824 17.1945 17.1945 17.1959 17.1959 18.5480 18.5480 18.5505 18.5505 k = 0.3525 0.3007-0.0000 ( 1758 PWs) bands (ev): -7.8025 -7.8025 -7.8025 -7.8025 -5.4155 -5.4155 -5.4154 -5.4154 0.1288 0.1288 0.1299 0.1299 1.5635 1.5635 1.5655 1.5655 2.7940 2.7940 2.7946 2.7946 4.7091 4.7091 4.7111 4.7111 6.7520 6.7520 6.7531 6.7531 8.3688 8.3688 8.3705 8.3705 17.2009 17.2009 17.2023 17.2023 18.5263 18.5263 18.5287 18.5287 k = 0.3443 0.3007-0.0000 ( 1764 PWs) bands (ev): -7.8748 -7.8748 -7.8748 -7.8748 -5.4054 -5.4054 -5.4053 -5.4053 0.1839 0.1839 0.1852 0.1852 1.5038 1.5038 1.5059 1.5059 2.9052 2.9052 2.9059 2.9059 4.7735 4.7735 4.7756 4.7756 6.7431 6.7431 6.7444 6.7444 8.3568 8.3568 8.3586 8.3586 17.2106 17.2106 17.2119 17.2119 18.4951 18.4951 18.4974 18.4974 k = 0.3361 0.3007-0.0000 ( 1756 PWs) bands (ev): -7.9463 -7.9463 -7.9462 -7.9462 -5.3987 -5.3987 -5.3985 -5.3985 0.2410 0.2410 0.2425 0.2425 1.4487 1.4487 1.4509 1.4509 3.0187 3.0187 3.0194 3.0194 4.8361 4.8361 4.8382 4.8382 6.7342 6.7342 6.7356 6.7356 8.3450 8.3450 8.3469 8.3469 17.2235 17.2235 17.2249 17.2249 18.4574 18.4574 18.4596 18.4596 k = 0.3279 0.3007-0.0000 ( 1756 PWs) bands (ev): -8.0167 -8.0167 -8.0167 -8.0167 -5.3951 -5.3951 -5.3950 -5.3950 0.2987 0.2987 0.3003 0.3003 1.3996 1.3996 1.4020 1.4020 3.1340 3.1340 3.1348 3.1348 4.8967 4.8967 4.8989 4.8989 6.7253 6.7253 6.7267 6.7267 8.3333 8.3333 8.3353 8.3353 17.2397 17.2397 17.2411 17.2411 18.4156 18.4156 18.4177 18.4177 k = 0.3197 0.3007-0.0000 ( 1756 PWs) bands (ev): -8.0862 -8.0862 -8.0861 -8.0861 -5.3946 -5.3946 -5.3945 -5.3945 0.3548 0.3548 0.3567 0.3567 1.3585 1.3585 1.3611 1.3611 3.2509 3.2509 3.2518 3.2518 4.9552 4.9552 4.9574 4.9574 6.7165 6.7165 6.7180 6.7180 8.3218 8.3218 8.3239 8.3239 17.2589 17.2589 17.2604 17.2604 18.3711 18.3711 18.3731 18.3731 k = 0.3115 0.3007-0.0000 ( 1756 PWs) bands (ev): -8.1545 -8.1545 -8.1545 -8.1545 -5.3970 -5.3970 -5.3968 -5.3968 0.4067 0.4067 0.4088 0.4088 1.3281 1.3281 1.3308 1.3308 3.3691 3.3691 3.3700 3.3700 5.0115 5.0115 5.0138 5.0138 6.7079 6.7079 6.7095 6.7095 8.3106 8.3106 8.3128 8.3128 17.2810 17.2810 17.2825 17.2825 18.3250 18.3250 18.3271 18.3271 k = 0.3033 0.3007-0.0000 ( 1756 PWs) bands (ev): -8.2217 -8.2217 -8.2216 -8.2216 -5.4020 -5.4020 -5.4019 -5.4019 0.4510 0.4510 0.4532 0.4532 1.3115 1.3115 1.3144 1.3144 3.4882 3.4882 3.4892 3.4892 5.0656 5.0656 5.0679 5.0679 6.6995 6.6995 6.7013 6.7013 8.2997 8.2997 8.3020 8.3020 17.3056 17.3056 17.3072 17.3072 18.2784 18.2784 18.2804 18.2804 k = 0.2951 0.3007-0.0000 ( 1754 PWs) bands (ev): -8.2875 -8.2875 -8.2875 -8.2875 -5.4095 -5.4095 -5.4093 -5.4093 0.4840 0.4840 0.4863 0.4863 1.3123 1.3123 1.3153 1.3153 3.6080 3.6080 3.6090 3.6090 5.1174 5.1174 5.1198 5.1198 6.6917 6.6917 6.6935 6.6935 8.2892 8.2892 8.2916 8.2916 17.3323 17.3323 17.3338 17.3338 18.2322 18.2322 18.2342 18.2342 k = 0.2869 0.3007-0.0000 ( 1758 PWs) bands (ev): -8.3521 -8.3521 -8.3520 -8.3520 -5.4192 -5.4192 -5.4191 -5.4191 0.5029 0.5029 0.5052 0.5052 1.3331 1.3331 1.3361 1.3361 3.7280 3.7280 3.7291 3.7291 5.1668 5.1668 5.1692 5.1692 6.6843 6.6843 6.6863 6.6863 8.2790 8.2790 8.2815 8.2815 17.3602 17.3602 17.3618 17.3618 18.1873 18.1873 18.1894 18.1894 k = 0.2787 0.3007-0.0000 ( 1762 PWs) bands (ev): -8.4153 -8.4153 -8.4152 -8.4152 -5.4309 -5.4309 -5.4308 -5.4308 0.5069 0.5069 0.5090 0.5090 1.3746 1.3746 1.3774 1.3774 3.8479 3.8479 3.8492 3.8492 5.2138 5.2138 5.2163 5.2163 6.6777 6.6777 6.6798 6.6798 8.2692 8.2692 8.2718 8.2718 17.3883 17.3883 17.3899 17.3899 18.1452 18.1452 18.1472 18.1472 k = 0.2705 0.3007-0.0000 ( 1762 PWs) bands (ev): -8.4770 -8.4770 -8.4769 -8.4769 -5.4444 -5.4444 -5.4443 -5.4443 0.4972 0.4972 0.4992 0.4992 1.4352 1.4352 1.4378 1.4378 3.9674 3.9674 3.9688 3.9688 5.2584 5.2584 5.2610 5.2610 6.6721 6.6721 6.6743 6.6743 8.2599 8.2599 8.2626 8.2626 17.4149 17.4149 17.4165 17.4165 18.1075 18.1075 18.1096 18.1096 k = 0.2623 0.3007-0.0000 ( 1762 PWs) bands (ev): -8.5373 -8.5373 -8.5372 -8.5372 -5.4595 -5.4595 -5.4593 -5.4593 0.4765 0.4765 0.4783 0.4783 1.5119 1.5119 1.5144 1.5144 4.0859 4.0859 4.0875 4.0875 5.3007 5.3007 5.3033 5.3033 6.6676 6.6676 6.6700 6.6700 8.2509 8.2509 8.2538 8.2538 17.4377 17.4377 17.4393 17.4393 18.0766 18.0766 18.0786 18.0786 k = 0.2541 0.3007-0.0000 ( 1766 PWs) bands (ev): -8.5960 -8.5960 -8.5959 -8.5959 -5.4759 -5.4759 -5.4758 -5.4758 0.4478 0.4478 0.4493 0.4493 1.6016 1.6016 1.6039 1.6039 4.2031 4.2031 4.2048 4.2048 5.3406 5.3406 5.3433 5.3433 6.6644 6.6644 6.6671 6.6671 8.2424 8.2424 8.2454 8.2454 17.4538 17.4538 17.4553 17.4553 18.0555 18.0555 18.0574 18.0574 k = 0.2459 0.3007-0.0000 ( 1766 PWs) bands (ev): -8.6532 -8.6532 -8.6531 -8.6531 -5.4935 -5.4935 -5.4934 -5.4934 0.4135 0.4135 0.4148 0.4148 1.7016 1.7016 1.7036 1.7036 4.3185 4.3185 4.3203 4.3203 5.3781 5.3781 5.3809 5.3809 6.6630 6.6630 6.6659 6.6659 8.2343 8.2343 8.2373 8.2373 17.4599 17.4599 17.4612 17.4612 18.0473 18.0473 18.0490 18.0490 k = 0.2377 0.3007-0.0000 ( 1766 PWs) bands (ev): -8.7087 -8.7087 -8.7087 -8.7087 -5.5120 -5.5120 -5.5119 -5.5119 0.3755 0.3755 0.3767 0.3767 1.8095 1.8095 1.8113 1.8113 4.4314 4.4314 4.4334 4.4334 5.4134 5.4134 5.4163 5.4163 6.6637 6.6637 6.6667 6.6667 8.2265 8.2265 8.2297 8.2297 17.4534 17.4534 17.4545 17.4545 18.0543 18.0543 18.0558 18.0558 k = 0.2295 0.3007-0.0000 ( 1770 PWs) bands (ev): -8.7627 -8.7627 -8.7626 -8.7626 -5.5314 -5.5314 -5.5313 -5.5313 0.3353 0.3353 0.3363 0.3363 1.9237 1.9237 1.9254 1.9254 4.5413 4.5413 4.5435 4.5435 5.4465 5.4465 5.4494 5.4494 6.6667 6.6667 6.6700 6.6700 8.2190 8.2190 8.2224 8.2224 17.4336 17.4336 17.4344 17.4344 18.0771 18.0771 18.0783 18.0783 k = 0.2213 0.3007-0.0000 ( 1770 PWs) bands (ev): -8.8149 -8.8149 -8.8149 -8.8149 -5.5513 -5.5513 -5.5512 -5.5512 0.2938 0.2938 0.2947 0.2947 2.0430 2.0430 2.0445 2.0445 4.6475 4.6475 4.6499 4.6499 5.4775 5.4775 5.4804 5.4804 6.6726 6.6726 6.6761 6.6761 8.2119 8.2119 8.2153 8.2153 17.4016 17.4016 17.4020 17.4020 18.1143 18.1143 18.1152 18.1152 k = 0.2131 0.3007-0.0000 ( 1770 PWs) bands (ev): -8.8655 -8.8655 -8.8655 -8.8655 -5.5717 -5.5717 -5.5716 -5.5716 0.2519 0.2519 0.2527 0.2527 2.1662 2.1662 2.1677 2.1677 4.7493 4.7493 4.7519 4.7519 5.5063 5.5063 5.5093 5.5093 6.6818 6.6818 6.6856 6.6856 8.2049 8.2049 8.2085 8.2085 17.3593 17.3593 17.3594 17.3594 18.1634 18.1634 18.1640 18.1640 k = 0.2049 0.3007-0.0000 ( 1766 PWs) bands (ev): -8.9143 -8.9143 -8.9143 -8.9143 -5.5924 -5.5924 -5.5923 -5.5923 0.2101 0.2101 0.2108 0.2108 2.2927 2.2927 2.2941 2.2941 4.8460 4.8460 4.8488 4.8488 5.5332 5.5332 5.5362 5.5362 6.6948 6.6948 6.6990 6.6990 8.1982 8.1982 8.2019 8.2019 17.3087 17.3087 17.3087 17.3087 18.2220 18.2220 18.2224 18.2224 k = 0.1967 0.3007-0.0000 ( 1758 PWs) bands (ev): -8.9614 -8.9614 -8.9614 -8.9614 -5.6133 -5.6133 -5.6132 -5.6132 0.1687 0.1687 0.1693 0.1693 2.4218 2.4218 2.4231 2.4231 4.9368 4.9368 4.9399 4.9399 5.5580 5.5580 5.5610 5.5610 6.7123 6.7123 6.7168 6.7168 8.1916 8.1916 8.1955 8.1955 17.2514 17.2514 17.2516 17.2516 18.2878 18.2878 18.2879 18.2879 k = 0.1885 0.3007-0.0000 ( 1750 PWs) bands (ev): -9.0068 -9.0068 -9.0067 -9.0067 -5.6341 -5.6341 -5.6340 -5.6340 0.1281 0.1281 0.1286 0.1286 2.5528 2.5528 2.5540 2.5540 5.0211 5.0211 5.0243 5.0243 5.5808 5.5808 5.5838 5.5838 6.7346 6.7346 6.7395 6.7395 8.1852 8.1852 8.1892 8.1892 17.1889 17.1889 17.1892 17.1892 18.3587 18.3587 18.3588 18.3588 k = 0.1803 0.3007-0.0000 ( 1754 PWs) bands (ev): -9.0503 -9.0503 -9.0503 -9.0503 -5.6549 -5.6549 -5.6548 -5.6548 0.0884 0.0884 0.0889 0.0889 2.6851 2.6851 2.6863 2.6863 5.0981 5.0981 5.1015 5.1015 5.6016 5.6016 5.6045 5.6045 6.7622 6.7622 6.7675 6.7675 8.1787 8.1787 8.1829 8.1829 17.1219 17.1219 17.1222 17.1222 18.4329 18.4329 18.4331 18.4331 k = 0.1721 0.3007-0.0000 ( 1754 PWs) bands (ev): -9.0920 -9.0920 -9.0920 -9.0920 -5.6754 -5.6754 -5.6753 -5.6753 0.0498 0.0498 0.0503 0.0503 2.8184 2.8184 2.8196 2.8196 5.1676 5.1676 5.1711 5.1711 5.6201 5.6201 5.6230 5.6230 6.7955 6.7955 6.8011 6.8011 8.1723 8.1723 8.1766 8.1766 17.0510 17.0510 17.0514 17.0514 18.5083 18.5083 18.5087 18.5087 k = 0.1639 0.3007-0.0000 ( 1762 PWs) bands (ev): -9.1319 -9.1319 -9.1319 -9.1319 -5.6955 -5.6955 -5.6954 -5.6954 0.0126 0.0126 0.0130 0.0130 2.9522 2.9522 2.9533 2.9533 5.2293 5.2293 5.2328 5.2328 5.6363 5.6363 5.6390 5.6390 6.8346 6.8346 6.8406 6.8406 8.1657 8.1657 8.1702 8.1702 16.9768 16.9768 16.9772 16.9772 18.5824 18.5824 18.5830 18.5830 k = 0.1557 0.3007-0.0000 ( 1758 PWs) bands (ev): -9.1699 -9.1699 -9.1699 -9.1699 -5.7153 -5.7153 -5.7152 -5.7152 -0.0232 -0.0232 -0.0228 -0.0228 3.0861 3.0861 3.0872 3.0872 5.2833 5.2833 5.2868 5.2868 5.6499 5.6499 5.6524 5.6524 6.8795 6.8795 6.8858 6.8858 8.1590 8.1590 8.1637 8.1637 16.8996 16.8996 16.9001 16.9001 18.6512 18.6512 18.6523 18.6523 k = 0.1475 0.3007-0.0000 ( 1758 PWs) bands (ev): -9.2061 -9.2061 -9.2061 -9.2061 -5.7344 -5.7344 -5.7344 -5.7344 -0.0575 -0.0575 -0.0572 -0.0572 3.2197 3.2197 3.2207 3.2207 5.3299 5.3299 5.3333 5.3333 5.6606 5.6606 5.6629 5.6629 6.9299 6.9299 6.9365 6.9365 8.1522 8.1522 8.1571 8.1571 16.8199 16.8199 16.8204 16.8204 18.7087 18.7087 18.7103 18.7103 k = 0.1393 0.3007-0.0000 ( 1758 PWs) bands (ev): -9.2404 -9.2404 -9.2404 -9.2404 -5.7530 -5.7530 -5.7530 -5.7530 -0.0903 -0.0903 -0.0899 -0.0899 3.3525 3.3525 3.3535 3.3535 5.3696 5.3696 5.3729 5.3729 5.6680 5.6680 5.6701 5.6701 6.9851 6.9851 6.9920 6.9920 8.1451 8.1451 8.1502 8.1502 16.7381 16.7381 16.7386 16.7386 18.7460 18.7460 18.7481 18.7481 k = 0.1311 0.3007-0.0000 ( 1760 PWs) bands (ev): -9.2728 -9.2728 -9.2728 -9.2728 -5.7709 -5.7709 -5.7708 -5.7708 -0.1214 -0.1214 -0.1211 -0.1211 3.4843 3.4843 3.4852 3.4852 5.4032 5.4032 5.4062 5.4062 5.6720 5.6720 5.6738 5.6738 7.0444 7.0444 7.0516 7.0516 8.1377 8.1377 8.1431 8.1431 16.6548 16.6548 16.6553 16.6553 18.7543 18.7543 18.7569 18.7569 k = 0.1230 0.3007-0.0000 ( 1752 PWs) bands (ev): -9.3033 -9.3033 -9.3033 -9.3033 -5.7880 -5.7880 -5.7880 -5.7880 -0.1508 -0.1508 -0.1505 -0.1505 3.6146 3.6146 3.6155 3.6155 5.4314 5.4314 5.4342 5.4342 5.6723 5.6723 5.6739 5.6739 7.1070 7.1070 7.1144 7.1144 8.1300 8.1300 8.1356 8.1356 16.5706 16.5706 16.5711 16.5711 18.7327 18.7327 18.7356 18.7356 k = 0.1148 0.3007-0.0000 ( 1752 PWs) bands (ev): -9.3319 -9.3319 -9.3318 -9.3318 -5.8043 -5.8043 -5.8043 -5.8043 -0.1785 -0.1785 -0.1782 -0.1782 3.7430 3.7430 3.7439 3.7439 5.4549 5.4549 5.4575 5.4575 5.6688 5.6688 5.6701 5.6701 7.1718 7.1718 7.1795 7.1795 8.1218 8.1218 8.1277 8.1277 16.4862 16.4862 16.4867 16.4867 18.6898 18.6898 18.6926 18.6926 k = 0.1066 0.3007-0.0000 ( 1752 PWs) bands (ev): -9.3585 -9.3585 -9.3585 -9.3585 -5.8197 -5.8197 -5.8197 -5.8197 -0.2043 -0.2043 -0.2041 -0.2041 3.8691 3.8691 3.8700 3.8700 5.4745 5.4745 5.4768 5.4768 5.6613 5.6613 5.6624 5.6624 7.2378 7.2378 7.2457 7.2457 8.1132 8.1132 8.1193 8.1193 16.4024 16.4024 16.4028 16.4028 18.6361 18.6361 18.6387 18.6387 k = 0.0984 0.3007-0.0000 ( 1752 PWs) bands (ev): -9.3832 -9.3832 -9.3832 -9.3832 -5.8342 -5.8342 -5.8342 -5.8342 -0.2284 -0.2284 -0.2282 -0.2282 3.9926 3.9926 3.9934 3.9934 5.4907 5.4907 5.4929 5.4929 5.6498 5.6498 5.6508 5.6508 7.3041 7.3041 7.3123 7.3123 8.1040 8.1040 8.1104 8.1104 16.3201 16.3201 16.3204 16.3204 18.5791 18.5791 18.5814 18.5814 k = 0.0902 0.3007-0.0000 ( 1748 PWs) bands (ev): -9.4060 -9.4060 -9.4060 -9.4060 -5.8477 -5.8477 -5.8476 -5.8476 -0.2507 -0.2507 -0.2505 -0.2505 4.1132 4.1132 4.1140 4.1140 5.5042 5.5042 5.5061 5.5061 5.6343 5.6343 5.6351 5.6351 7.3699 7.3699 7.3783 7.3783 8.0942 8.0942 8.1010 8.1010 16.2401 16.2401 16.2404 16.2404 18.5228 18.5228 18.5248 18.5248 k = 0.0820 0.3007-0.0000 ( 1748 PWs) bands (ev): -9.4268 -9.4268 -9.4268 -9.4268 -5.8601 -5.8601 -5.8601 -5.8601 -0.2710 -0.2710 -0.2709 -0.2709 4.2304 4.2304 4.2312 4.2312 5.5153 5.5153 5.5170 5.5170 5.6147 5.6147 5.6154 5.6154 7.4344 7.4344 7.4429 7.4429 8.0837 8.0837 8.0908 8.0908 16.1632 16.1632 16.1635 16.1635 18.4696 18.4696 18.4714 18.4714 k = 0.0738 0.3007-0.0000 ( 1750 PWs) bands (ev): -9.4456 -9.4456 -9.4456 -9.4456 -5.8715 -5.8715 -5.8715 -5.8715 -0.2895 -0.2895 -0.2894 -0.2894 4.3439 4.3439 4.3446 4.3446 5.5244 5.5244 5.5259 5.5259 5.5910 5.5910 5.5916 5.5916 7.4968 7.4968 7.5055 7.5055 8.0724 8.0724 8.0798 8.0798 16.0905 16.0905 16.0908 16.0908 18.4205 18.4205 18.4222 18.4222 k = 0.0656 0.3007-0.0000 ( 1744 PWs) bands (ev): -9.4625 -9.4625 -9.4625 -9.4625 -5.8818 -5.8818 -5.8817 -5.8817 -0.3061 -0.3061 -0.3060 -0.3060 4.4535 4.4535 4.4542 4.4542 5.5319 5.5319 5.5331 5.5331 5.5633 5.5633 5.5638 5.5638 7.5565 7.5565 7.5654 7.5654 8.0601 8.0601 8.0678 8.0678 16.0228 16.0228 16.0230 16.0230 18.3764 18.3764 18.3778 18.3778 k = 0.0574 0.3007-0.0000 ( 1748 PWs) bands (ev): -9.4774 -9.4774 -9.4774 -9.4774 -5.8909 -5.8909 -5.8908 -5.8908 -0.3208 -0.3208 -0.3207 -0.3207 4.5587 4.5587 4.5594 4.5594 5.5302 5.5302 5.5307 5.5307 5.5389 5.5389 5.5401 5.5401 7.6130 7.6130 7.6221 7.6221 8.0468 8.0468 8.0548 8.0548 15.9609 15.9609 15.9611 15.9611 18.3373 18.3373 18.3385 18.3385 k = 0.0492 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.4903 -9.4903 -9.4903 -9.4903 -5.8988 -5.8988 -5.8988 -5.8988 -0.3335 -0.3335 -0.3334 -0.3334 4.6594 4.6594 4.6600 4.6600 5.4945 5.4945 5.4950 5.4950 5.5433 5.5433 5.5442 5.5442 7.6662 7.6662 7.6755 7.6755 8.0323 8.0323 8.0406 8.0406 15.9056 15.9056 15.9057 15.9057 18.3034 18.3034 18.3044 18.3044 k = 0.0410 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5013 -9.5013 -9.5013 -9.5013 -5.9056 -5.9056 -5.9056 -5.9056 -0.3443 -0.3443 -0.3442 -0.3442 4.7551 4.7551 4.7557 4.7557 5.4539 5.4539 5.4544 5.4544 5.5472 5.5472 5.5479 5.5479 7.7156 7.7156 7.7250 7.7250 8.0163 8.0163 8.0249 8.0249 15.8576 15.8576 15.8577 15.8577 18.2748 18.2748 18.2757 18.2757 k = 0.0328 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5103 -9.5103 -9.5102 -9.5102 -5.9112 -5.9112 -5.9111 -5.9111 -0.3532 -0.3532 -0.3531 -0.3531 4.8455 4.8455 4.8461 4.8461 5.4090 5.4090 5.4094 5.4094 5.5503 5.5503 5.5509 5.5509 7.7611 7.7611 7.7706 7.7706 7.9986 7.9986 8.0075 8.0075 15.8174 15.8174 15.8175 15.8175 18.2515 18.2515 18.2522 18.2522 k = 0.0246 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5172 -9.5172 -9.5172 -9.5172 -5.9155 -5.9155 -5.9155 -5.9155 -0.3600 -0.3600 -0.3600 -0.3600 4.9301 4.9301 4.9307 4.9307 5.3601 5.3601 5.3606 5.3606 5.5526 5.5526 5.5530 5.5530 7.8027 7.8027 7.8123 7.8123 7.9789 7.9789 7.9881 7.9881 15.7856 15.7856 15.7857 15.7857 18.2334 18.2334 18.2339 18.2339 k = 0.0164 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5222 -9.5222 -9.5222 -9.5222 -5.9186 -5.9186 -5.9186 -5.9186 -0.3650 -0.3650 -0.3649 -0.3649 5.0077 5.0077 5.0082 5.0082 5.3082 5.3082 5.3087 5.3087 5.5542 5.5542 5.5545 5.5545 7.8404 7.8404 7.8501 7.8501 7.9570 7.9570 7.9664 7.9664 15.7626 15.7626 15.7626 15.7626 18.2206 18.2206 18.2209 18.2209 k = 0.0082 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5252 -9.5252 -9.5252 -9.5252 -5.9205 -5.9205 -5.9205 -5.9205 -0.3679 -0.3679 -0.3679 -0.3679 5.0740 5.0740 5.0744 5.0744 5.2575 5.2575 5.2578 5.2578 5.5551 5.5551 5.5553 5.5553 7.8745 7.8745 7.8841 7.8841 7.9325 7.9325 7.9420 7.9420 15.7487 15.7487 15.7487 15.7487 18.2129 18.2129 18.2130 18.2130 k = 0.0000 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5262 -9.5262 -9.5262 -9.5262 -5.9211 -5.9211 -5.9211 -5.9211 -0.3689 -0.3689 -0.3689 -0.3689 5.1077 5.1077 5.1077 5.1077 5.2293 5.2293 5.2293 5.2293 5.5555 5.5555 5.5555 5.5555 7.9050 7.9050 7.9050 7.9050 7.9148 7.9148 7.9148 7.9148 15.7440 15.7440 15.7440 15.7440 18.2104 18.2104 18.2104 18.2104 k = 0.0000 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5262 -9.5262 -9.5262 -9.5262 -5.9211 -5.9211 -5.9211 -5.9211 -0.3689 -0.3689 -0.3689 -0.3689 5.1077 5.1077 5.1077 5.1077 5.2293 5.2293 5.2293 5.2293 5.5555 5.5555 5.5555 5.5555 7.9050 7.9050 7.9050 7.9050 7.9148 7.9148 7.9148 7.9148 15.7440 15.7440 15.7440 15.7440 18.2104 18.2104 18.2104 18.2104 k = 0.0000 0.2926-0.0000 ( 1740 PWs) bands (ev): -9.5788 -9.5788 -9.4728 -9.4728 -5.9603 -5.9603 -5.8820 -5.8820 -0.4139 -0.4139 -0.3209 -0.3209 5.0566 5.0566 5.1036 5.1036 5.1593 5.1593 5.3548 5.3548 5.4215 5.4215 5.6876 5.6876 7.8341 7.8341 7.8604 7.8604 7.9607 7.9607 7.9840 7.9840 15.7280 15.7280 15.7622 15.7622 18.1933 18.1933 18.2271 18.2271 k = 0.0000 0.2844-0.0000 ( 1740 PWs) bands (ev): -9.6306 -9.6306 -9.4186 -9.4186 -5.9993 -5.9993 -5.8430 -5.8430 -0.4557 -0.4557 -0.2701 -0.2701 4.9769 4.9769 5.0070 5.0070 5.2114 5.2114 5.2860 5.2860 5.4795 5.4795 5.8172 5.8172 7.7599 7.7599 7.8098 7.8098 8.0130 8.0130 8.0558 8.0558 15.7141 15.7141 15.7823 15.7823 18.1759 18.1759 18.2433 18.2433 k = 0.0000 0.2763-0.0000 ( 1740 PWs) bands (ev): -9.6815 -9.6815 -9.3638 -9.3638 -6.0382 -6.0382 -5.8043 -5.8043 -0.4944 -0.4944 -0.2166 -0.2166 4.8510 4.8510 4.9572 4.9572 5.1492 5.1492 5.2641 5.2641 5.6033 5.6033 5.9437 5.9437 7.6861 7.6861 7.7601 7.7601 8.0653 8.0653 8.1264 8.1264 15.7026 15.7026 15.8043 15.8043 18.1583 18.1583 18.2592 18.2592 k = 0.0000 0.2682-0.0000 ( 1740 PWs) bands (ev): -9.7315 -9.7315 -9.3085 -9.3085 -6.0768 -6.0768 -5.7659 -5.7659 -0.5297 -0.5297 -0.1604 -0.1604 4.7251 4.7251 4.9085 4.9085 5.0118 5.0118 5.3171 5.3171 5.7255 5.7255 6.0662 6.0662 7.6136 7.6136 7.7112 7.7112 8.1179 8.1179 8.1952 8.1952 15.6934 15.6934 15.8280 15.8280 18.1406 18.1406 18.2745 18.2745 k = 0.0000 0.2601-0.0000 ( 1739 PWs) bands (ev): -9.7804 -9.7804 -9.2526 -9.2526 -6.1151 -6.1151 -5.7279 -5.7279 -0.5616 -0.5616 -0.1018 -0.1018 4.5995 4.5995 4.8605 4.8605 4.8741 4.8741 5.3704 5.3704 5.8457 5.8457 6.1835 6.1835 7.5443 7.5443 7.6632 7.6632 8.1706 8.1706 8.2621 8.2621 15.6867 15.6867 15.8533 15.8533 18.1228 18.1228 18.2892 18.2892 k = 0.0000 0.2519-0.0000 ( 1743 PWs) bands (ev): -9.8282 -9.8282 -9.1964 -9.1964 -6.1529 -6.1529 -5.6906 -5.6906 -0.5900 -0.5900 -0.0407 -0.0407 4.4742 4.4742 4.7357 4.7357 4.8140 4.8140 5.4240 5.4240 5.9629 5.9629 6.2940 6.2940 7.4805 7.4805 7.6161 7.6161 8.2233 8.2233 8.3268 8.3268 15.6824 15.6824 15.8800 15.8800 18.1049 18.1049 18.3034 18.3034 k = 0.0000 0.2438-0.0000 ( 1747 PWs) bands (ev): -9.8750 -9.8750 -9.1399 -9.1399 -6.1901 -6.1901 -5.6539 -5.6539 -0.6146 -0.6146 0.0226 0.0226 4.3496 4.3496 4.5976 4.5976 4.7681 4.7681 5.4777 5.4777 6.0756 6.0756 6.3955 6.3955 7.4255 7.4255 7.5700 7.5700 8.2760 8.2760 8.3892 8.3892 15.6806 15.6806 15.9079 15.9079 18.0871 18.0871 18.3170 18.3170 k = 0.0000 0.2357-0.0000 ( 1749 PWs) bands (ev): -9.9205 -9.9205 -9.0831 -9.0831 -6.2268 -6.2268 -5.6180 -5.6180 -0.6355 -0.6355 0.0880 0.0880 4.2254 4.2254 4.4600 4.4600 4.7234 4.7234 5.5314 5.5314 6.1809 6.1809 6.4860 6.4860 7.3843 7.3843 7.5249 7.5249 8.3285 8.3285 8.4492 8.4492 15.6813 15.6813 15.9368 15.9368 18.0695 18.0695 18.3301 18.3301 k = 0.0000 0.2276-0.0000 ( 1749 PWs) bands (ev): -9.9649 -9.9649 -9.0262 -9.0262 -6.2628 -6.2628 -5.5831 -5.5831 -0.6525 -0.6525 0.1555 0.1555 4.1018 4.1018 4.3233 4.3233 4.6798 4.6798 5.5850 5.5850 6.2734 6.2734 6.5649 6.5649 7.3626 7.3626 7.4808 7.4808 8.3809 8.3809 8.5067 8.5067 15.6846 15.6846 15.9667 15.9667 18.0521 18.0521 18.3426 18.3426 k = 0.0000 0.2194-0.0000 ( 1753 PWs) bands (ev): -10.0080 -10.0080 -8.9693 -8.9693 -6.2980 -6.2980 -5.5492 -5.5492 -0.6655 -0.6655 0.2248 0.2248 3.9786 3.9786 4.1879 4.1879 4.6373 4.6373 5.6385 5.6385 6.3428 6.3428 6.6368 6.6368 7.3658 7.3658 7.4379 7.4379 8.4329 8.4329 8.5618 8.5618 15.6902 15.6902 15.9973 15.9973 18.0351 18.0351 18.3546 18.3546 k = 0.0000 0.2113-0.0000 ( 1753 PWs) bands (ev): -10.0498 -10.0498 -8.9125 -8.9125 -6.3325 -6.3325 -5.5164 -5.5164 -0.6744 -0.6744 0.2960 0.2960 3.8556 3.8556 4.0544 4.0544 4.5960 4.5960 5.6916 5.6916 6.3771 6.3771 6.7121 6.7121 7.3939 7.3939 7.3975 7.3975 8.4844 8.4844 8.6142 8.6142 15.6983 15.6983 16.0284 16.0284 18.0184 18.0184 18.3661 18.3661 k = 0.0000 0.2032-0.0000 ( 1753 PWs) bands (ev): -10.0904 -10.0904 -8.8560 -8.8560 -6.3660 -6.3660 -5.4848 -5.4848 -0.6792 -0.6792 0.3687 0.3687 3.7322 3.7322 3.9234 3.9234 4.5560 4.5560 5.7444 5.7444 6.3730 6.3730 6.7974 6.7974 7.3556 7.3556 7.4476 7.4476 8.5355 8.5355 8.6641 8.6641 15.7087 15.7087 16.0599 16.0599 18.0022 18.0022 18.3771 18.3771 k = 0.0000 0.1950-0.0000 ( 1753 PWs) bands (ev): -10.1295 -10.1295 -8.7997 -8.7997 -6.3987 -6.3987 -5.4546 -5.4546 -0.6796 -0.6796 0.4429 0.4429 3.6083 3.6083 3.7959 3.7959 4.5172 4.5172 5.7967 5.7967 6.3379 6.3379 6.8912 6.8912 7.3164 7.3164 7.5166 7.5166 8.5857 8.5857 8.7114 8.7114 15.7213 15.7213 16.0915 16.0915 17.9866 17.9866 18.3877 18.3877 k = 0.0000 0.1869-0.0000 ( 1749 PWs) bands (ev): -10.1673 -10.1673 -8.7439 -8.7439 -6.4304 -6.4304 -5.4258 -5.4258 -0.6757 -0.6757 0.5185 0.5185 3.4834 3.4834 3.6724 3.6724 4.4798 4.4798 5.8483 5.8483 6.2818 6.2818 6.9895 6.9895 7.2785 7.2785 7.5962 7.5962 8.6352 8.6352 8.7561 8.7561 15.7360 15.7360 16.1232 16.1232 17.9716 17.9716 18.3978 18.3978 k = 0.0000 0.1788-0.0000 ( 1757 PWs) bands (ev): -10.2037 -10.2037 -8.6888 -8.6888 -6.4610 -6.4610 -5.3985 -5.3985 -0.6675 -0.6675 0.5952 0.5952 3.3571 3.3571 3.5535 3.5535 4.4436 4.4436 5.8992 5.8992 6.2121 6.2121 7.0891 7.0891 7.2419 7.2419 7.6819 7.6819 8.6837 8.6837 8.7983 8.7983 15.7527 15.7527 16.1548 16.1548 17.9572 17.9572 18.4075 18.4075 k = 0.0000 0.1707-0.0000 ( 1761 PWs) bands (ev): -10.2386 -10.2386 -8.6343 -8.6343 -6.4906 -6.4906 -5.3727 -5.3727 -0.6548 -0.6548 0.6730 0.6730 3.2294 3.2294 3.4398 3.4398 4.4089 4.4089 5.9492 5.9492 6.1336 6.1336 7.1883 7.1883 7.2067 7.2067 7.7704 7.7704 8.7311 8.7311 8.8379 8.8379 15.7711 15.7711 16.1860 16.1860 17.9436 17.9436 18.4169 18.4169 k = 0.0000 0.1625-0.0000 ( 1759 PWs) bands (ev): -10.2721 -10.2721 -8.5808 -8.5808 -6.5190 -6.5190 -5.3485 -5.3485 -0.6377 -0.6377 0.7515 0.7515 3.1005 3.1005 3.3313 3.3313 4.3756 4.3756 5.9981 5.9981 6.0493 6.0493 7.1730 7.1730 7.2861 7.2861 7.8597 7.8597 8.7773 8.7773 8.8752 8.8752 15.7912 15.7912 16.2167 16.2167 17.9308 17.9308 18.4261 18.4261 k = 0.0000 0.1544-0.0000 ( 1749 PWs) bands (ev): -10.3040 -10.3040 -8.5283 -8.5283 -6.5463 -6.5463 -5.3259 -5.3259 -0.6161 -0.6161 0.8307 0.8307 2.9709 2.9709 3.2280 3.2280 4.3438 4.3438 5.9611 5.9611 6.0459 6.0459 7.1407 7.1407 7.3818 7.3818 7.9485 7.9485 8.8223 8.8223 8.9100 8.9100 15.8127 15.8127 16.2469 16.2469 17.9189 17.9189 18.4349 18.4349 k = 0.0000 0.1463-0.0000 ( 1749 PWs) bands (ev): -10.3345 -10.3345 -8.4770 -8.4770 -6.5724 -6.5724 -5.3050 -5.3050 -0.5900 -0.5900 0.9103 0.9103 2.8408 2.8408 3.1296 3.1296 4.3135 4.3135 5.8706 5.8706 6.0924 6.0924 7.1098 7.1098 7.4748 7.4748 8.0355 8.0355 8.8657 8.8657 8.9424 8.9424 15.8354 15.8354 16.2763 16.2763 17.9079 17.9079 18.4433 18.4433 k = 0.0000 0.1382-0.0000 ( 1747 PWs) bands (ev): -10.3634 -10.3634 -8.4271 -8.4271 -6.5972 -6.5972 -5.2857 -5.2857 -0.5594 -0.5594 0.9900 0.9900 2.7108 2.7108 3.0361 3.0361 4.2846 4.2846 5.7788 5.7788 6.1374 6.1374 7.0805 7.0805 7.5648 7.5648 8.1200 8.1200 8.9076 8.9076 8.9726 8.9726 15.8591 15.8591 16.3048 16.3048 17.8978 17.8978 18.4514 18.4514 k = 0.0000 0.1300-0.0000 ( 1745 PWs) bands (ev): -10.3908 -10.3908 -8.3786 -8.3786 -6.6208 -6.6208 -5.2681 -5.2681 -0.5245 -0.5245 1.0696 1.0696 2.5812 2.5812 2.9474 2.9474 4.2573 4.2573 5.6864 5.6864 6.1808 6.1808 7.0527 7.0527 7.6514 7.6514 8.2014 8.2014 8.9477 8.9477 9.0006 9.0006 15.8836 15.8836 16.3323 16.3323 17.8887 17.8887 18.4588 18.4588 k = 0.0000 0.1219-0.0000 ( 1745 PWs) bands (ev): -10.4166 -10.4166 -8.3319 -8.3319 -6.6431 -6.6431 -5.2521 -5.2521 -0.4852 -0.4852 1.1487 1.1487 2.4523 2.4523 2.8635 2.8635 4.2315 4.2315 5.5942 5.5942 6.2226 6.2226 7.0265 7.0265 7.7343 7.7343 8.2795 8.2795 8.9859 8.9859 9.0266 9.0266 15.9084 15.9084 16.3586 16.3586 17.8806 17.8806 18.4652 18.4652 k = 0.0000 0.1138-0.0000 ( 1753 PWs) bands (ev): -10.4408 -10.4408 -8.2871 -8.2871 -6.6641 -6.6641 -5.2376 -5.2376 -0.4417 -0.4417 1.2271 1.2271 2.3245 2.3245 2.7844 2.7844 4.2073 4.2073 5.5028 5.5028 6.2624 6.2624 7.0019 7.0019 7.8133 7.8133 8.3535 8.3535 9.0220 9.0220 9.0506 9.0506 15.9335 15.9335 16.3837 16.3837 17.8735 17.8735 18.4691 18.4691 k = 0.0000 0.1057-0.0000 ( 1749 PWs) bands (ev): -10.4634 -10.4634 -8.2444 -8.2444 -6.6837 -6.6837 -5.2247 -5.2247 -0.3940 -0.3940 1.3043 1.3043 2.1980 2.1980 2.7102 2.7102 4.1848 4.1848 5.4129 5.4129 6.3003 6.3003 6.9789 6.9789 7.8880 7.8880 8.4236 8.4236 9.0554 9.0554 9.0733 9.0733 15.9585 15.9585 16.4075 16.4075 17.8674 17.8674 18.4664 18.4664 k = 0.0000 0.0975-0.0000 ( 1749 PWs) bands (ev): -10.4844 -10.4844 -8.2038 -8.2038 -6.7020 -6.7020 -5.2133 -5.2133 -0.3422 -0.3422 1.3799 1.3799 2.0731 2.0731 2.6410 2.6410 4.1638 4.1638 5.3251 5.3251 6.3360 6.3360 6.9575 6.9575 7.9585 7.9585 8.4893 8.4893 9.0839 9.0839 9.0968 9.0968 15.9831 15.9831 16.4299 16.4299 17.8623 17.8623 18.4458 18.4458 k = 0.0000 0.0894-0.0000 ( 1749 PWs) bands (ev): -10.5038 -10.5038 -8.1657 -8.1657 -6.7189 -6.7189 -5.2032 -5.2032 -0.2867 -0.2867 1.4535 1.4535 1.9501 1.9501 2.5768 2.5768 4.1444 4.1444 5.2399 5.2399 6.3695 6.3695 6.9377 6.9377 8.0242 8.0242 8.5504 8.5504 9.1052 9.1052 9.1235 9.1235 16.0071 16.0071 16.4508 16.4508 17.8582 17.8582 18.4057 18.4057 k = 0.0000 0.0813-0.0000 ( 1749 PWs) bands (ev): -10.5215 -10.5215 -8.1302 -8.1302 -6.7343 -6.7343 -5.1944 -5.1944 -0.2274 -0.2274 1.5244 1.5244 1.8292 1.8292 2.5178 2.5178 4.1266 4.1266 5.1581 5.1581 6.4005 6.4005 6.9196 6.9196 8.0850 8.0850 8.6067 8.6067 9.1222 9.1222 9.1503 9.1503 16.0302 16.0302 16.4702 16.4702 17.8549 17.8549 18.3597 18.3597 k = 0.0000 0.0731-0.0000 ( 1749 PWs) bands (ev): -10.5375 -10.5375 -8.0975 -8.0975 -6.7484 -6.7484 -5.1868 -5.1868 -0.1649 -0.1649 1.5922 1.5922 1.7108 1.7108 2.4640 2.4640 4.1105 4.1105 5.0804 5.0804 6.4290 6.4290 6.9032 6.9032 8.1407 8.1407 8.6580 8.6580 9.1368 9.1368 9.1754 9.1754 16.0520 16.0520 16.4879 16.4879 17.8525 17.8525 18.3149 18.3149 k = 0.0000 0.0650-0.0000 ( 1749 PWs) bands (ev): -10.5519 -10.5519 -8.0676 -8.0676 -6.7610 -6.7610 -5.1804 -5.1804 -0.0993 -0.0993 1.5952 1.5952 1.6560 1.6560 2.4155 2.4155 4.0961 4.0961 5.0074 5.0074 6.4549 6.4549 6.8885 6.8885 8.1913 8.1913 8.7044 8.7044 9.1496 9.1496 9.1982 9.1982 16.0724 16.0724 16.5040 16.5040 17.8508 17.8508 18.2732 18.2732 k = 0.0000 0.0569-0.0000 ( 1745 PWs) bands (ev): -10.5646 -10.5646 -8.0409 -8.0409 -6.7721 -6.7721 -5.1749 -5.1749 -0.0313 -0.0313 1.4830 1.4830 1.7151 1.7151 2.3725 2.3725 4.0833 4.0833 4.9401 4.9401 6.4781 6.4781 6.8755 6.8755 8.2363 8.2363 8.7455 8.7455 9.1606 9.1606 9.2186 9.2186 16.0910 16.0910 16.5183 16.5183 17.8498 17.8498 18.2355 18.2355 k = 0.0000 0.0488-0.0000 ( 1749 PWs) bands (ev): -10.5757 -10.5757 -8.0174 -8.0174 -6.7818 -6.7818 -5.1704 -5.1704 0.0386 0.0386 1.3749 1.3749 1.7688 1.7688 2.3350 2.3350 4.0723 4.0723 4.8792 4.8792 6.4983 6.4983 6.8642 6.8642 8.2757 8.2757 8.7813 8.7813 9.1701 9.1701 9.2364 9.2364 16.1077 16.1077 16.5308 16.5308 17.8493 17.8493 18.2022 18.2022 k = 0.0000 0.0406-0.0000 ( 1749 PWs) bands (ev): -10.5850 -10.5850 -7.9973 -7.9973 -6.7901 -6.7901 -5.1668 -5.1668 0.1091 0.1091 1.2720 1.2720 1.8162 1.8162 2.3031 2.3031 4.0629 4.0629 4.8257 4.8257 6.5156 6.5156 6.8546 6.8546 8.3093 8.3093 8.8116 8.8116 9.1780 9.1780 9.2515 9.2515 16.1222 16.1222 16.5415 16.5415 17.8491 17.8491 18.1736 18.1736 k = 0.0000 0.0325-0.0000 ( 1745 PWs) bands (ev): -10.5927 -10.5927 -7.9806 -7.9806 -6.7968 -6.7968 -5.1639 -5.1639 0.1787 0.1787 1.1760 1.1760 1.8564 1.8564 2.2769 2.2769 4.0552 4.0552 4.7804 4.7804 6.5299 6.5299 6.8469 6.8469 8.3370 8.3370 8.8366 8.8366 9.1844 9.1844 9.2641 9.2641 16.1343 16.1343 16.5503 16.5503 17.8493 17.8493 18.1500 18.1500 k = 0.0000 0.0244-0.0000 ( 1731 PWs) bands (ev): -10.5986 -10.5986 -7.9676 -7.9676 -6.8020 -6.8020 -5.1618 -5.1618 0.2444 0.2444 1.0897 1.0897 1.8888 1.8888 2.2565 2.2565 4.0492 4.0492 4.7441 4.7441 6.5411 6.5411 6.8408 6.8408 8.3589 8.3589 8.8562 8.8562 9.1893 9.1893 9.2740 9.2740 16.1439 16.1439 16.5572 16.5572 17.8495 17.8495 18.1314 18.1314 k = 0.0000 0.0163-0.0000 ( 1733 PWs) bands (ev): -10.6029 -10.6029 -7.9582 -7.9582 -6.8058 -6.8058 -5.1603 -5.1603 0.3014 0.3014 1.0180 1.0180 1.9124 1.9124 2.2419 2.2419 4.0449 4.0449 4.7176 4.7176 6.5491 6.5491 6.8364 6.8364 8.3745 8.3745 8.8701 8.8701 9.1928 9.1928 9.2810 9.2810 16.1508 16.1508 16.5622 16.5622 17.8498 17.8498 18.1181 18.1181 k = 0.0000 0.0081-0.0000 ( 1737 PWs) bands (ev): -10.6054 -10.6054 -7.9526 -7.9526 -6.8080 -6.8080 -5.1594 -5.1594 0.3420 0.3420 0.9685 0.9685 1.9268 1.9268 2.2331 2.2331 4.0424 4.0424 4.7014 4.7014 6.5540 6.5540 6.8337 6.8337 8.3836 8.3836 8.8784 8.8784 9.1949 9.1949 9.2851 9.2851 16.1550 16.1550 16.5652 16.5652 17.8500 17.8500 18.1101 18.1101 k = 0.0000 0.0000 0.0000 ( 1741 PWs) bands (ev): -10.6063 -10.6063 -7.9507 -7.9507 -6.8088 -6.8088 -5.1591 -5.1591 0.3571 0.3571 0.9505 0.9505 1.9317 1.9317 2.2302 2.2302 4.0415 4.0415 4.6960 4.6960 6.5556 6.5556 6.8328 6.8328 8.3867 8.3867 8.8812 8.8812 9.1956 9.1956 9.2865 9.2865 16.1565 16.1565 16.5661 16.5661 17.8501 17.8501 18.1074 18.1074 k = 0.0000 0.0000 0.0000 ( 1741 PWs) bands (ev): -10.6063 -10.6063 -7.9507 -7.9507 -6.8088 -6.8088 -5.1591 -5.1591 0.3571 0.3571 0.9505 0.9505 1.9317 1.9317 2.2302 2.2302 4.0415 4.0415 4.6960 4.6960 6.5556 6.5556 6.8328 6.8328 8.3867 8.3867 8.8812 8.8812 9.1956 9.1956 9.2865 9.2865 16.1565 16.1565 16.5661 16.5661 17.8501 17.8501 18.1074 18.1074 k = 0.0000 0.0000 0.0082 ( 1737 PWs) bands (ev): -10.6054 -10.6054 -7.9552 -7.9552 -6.8049 -6.8049 -5.1593 -5.1593 0.3567 0.3567 0.9431 0.9431 1.9405 1.9405 2.2303 2.2303 4.0423 4.0423 4.7004 4.7004 6.5423 6.5423 6.8461 6.8461 8.3851 8.3851 8.8729 8.8729 9.1985 9.1985 9.2858 9.2858 16.1546 16.1546 16.5642 16.5642 17.8252 17.8252 18.1324 18.1324 k = 0.0000 0.0000 0.0164 ( 1735 PWs) bands (ev): -10.6027 -10.6027 -7.9684 -7.9684 -6.7933 -6.7933 -5.1599 -5.1599 0.3552 0.3552 0.9217 0.9217 1.9660 1.9660 2.2306 2.2306 4.0445 4.0445 4.7134 4.7134 6.5080 6.5080 6.8802 6.8802 8.3806 8.3806 8.8488 8.8488 9.2063 9.2063 9.2837 9.2837 16.1489 16.1489 16.5581 16.5581 17.7684 17.7684 18.1891 18.1891 k = 0.0000 0.0000 0.0246 ( 1747 PWs) bands (ev): -10.5983 -10.5983 -7.9899 -7.9899 -6.7746 -6.7746 -5.1609 -5.1609 0.3527 0.3527 0.8884 0.8884 2.0062 2.0062 2.2313 2.2313 4.0483 4.0483 4.7348 4.7348 6.4618 6.4618 6.9258 6.9258 8.3726 8.3726 8.8114 8.8114 9.2167 9.2167 9.2801 9.2801 16.1394 16.1394 16.5481 16.5481 17.7009 17.7009 18.2554 18.2554 k = 0.0000 0.0000 0.0328 ( 1743 PWs) bands (ev): -10.5920 -10.5920 -8.0188 -8.0188 -6.7496 -6.7496 -5.1622 -5.1622 0.3491 0.3491 0.8458 0.8458 2.0584 2.0584 2.2328 2.2328 4.0536 4.0536 4.7644 4.7644 6.4097 6.4097 6.9777 6.9777 8.3617 8.3617 8.7631 8.7631 9.2275 9.2275 9.2752 9.2752 16.1260 16.1260 16.5342 16.5342 17.6314 17.6314 18.3209 18.3209 k = 0.0000 0.0000 0.0411 ( 1743 PWs) bands (ev): -10.5840 -10.5840 -8.0542 -8.0542 -6.7192 -6.7192 -5.1640 -5.1640 0.3443 0.3443 0.7964 0.7964 2.1201 2.1201 2.2357 2.2357 4.0604 4.0604 4.8018 4.8018 6.3542 6.3542 7.0327 7.0327 8.3476 8.3476 8.7056 8.7056 9.2369 9.2369 9.2690 9.2690 16.1086 16.1086 16.5165 16.5165 17.5638 17.5638 18.3807 18.3807 k = 0.0000 0.0000 0.0493 ( 1743 PWs) bands (ev): -10.5742 -10.5742 -8.0951 -8.0951 -6.6843 -6.6843 -5.1662 -5.1662 0.3380 0.3380 0.7425 0.7425 2.1889 2.1889 2.2404 2.2404 4.0687 4.0687 4.8463 4.8463 6.2970 6.2970 7.0894 7.0894 8.3308 8.3308 8.6403 8.6403 9.2436 9.2436 9.2618 9.2618 16.0871 16.0871 16.4951 16.4951 17.4999 17.4999 18.4143 18.4143 k = 0.0000 0.0000 0.0575 ( 1743 PWs) bands (ev): -10.5626 -10.5626 -8.1408 -8.1408 -6.6457 -6.6457 -5.1689 -5.1689 0.3300 0.3300 0.6856 0.6856 2.2469 2.2469 2.2639 2.2639 4.0785 4.0785 4.8975 4.8975 6.2387 6.2387 7.1471 7.1471 8.3110 8.3110 8.5681 8.5681 9.2451 9.2451 9.2556 9.2556 16.0614 16.0614 16.4702 16.4702 17.4411 17.4411 18.4180 18.4180 k = 0.0000 0.0000 0.0657 ( 1745 PWs) bands (ev): -10.5493 -10.5493 -8.1903 -8.1903 -6.6043 -6.6043 -5.1721 -5.1721 0.3204 0.3204 0.6271 0.6271 2.2572 2.2572 2.3420 2.3420 4.0898 4.0898 4.9546 4.9546 6.1798 6.1798 7.2053 7.2053 8.2888 8.2888 8.4899 8.4899 9.2379 9.2379 9.2535 9.2535 16.0315 16.0315 16.4419 16.4419 17.3883 17.3883 18.4222 18.4222 k = 0.0000 0.0000 0.0739 ( 1749 PWs) bands (ev): -10.5342 -10.5342 -8.2430 -8.2430 -6.5607 -6.5607 -5.1758 -5.1758 0.3088 0.3088 0.5680 0.5680 2.2707 2.2707 2.4234 2.4234 4.1025 4.1025 5.0172 5.0172 6.1206 6.1206 7.2637 7.2637 8.2641 8.2641 8.4061 8.4061 9.2265 9.2265 9.2507 9.2507 15.9977 15.9977 16.4105 16.4105 17.3421 17.3421 18.4271 18.4271 k = 0.0000 0.0000 0.0821 ( 1745 PWs) bands (ev): -10.5173 -10.5173 -8.2984 -8.2984 -6.5154 -6.5154 -5.1801 -5.1801 0.2952 0.2952 0.5091 0.5091 2.2882 2.2882 2.5068 2.5068 4.1167 4.1167 5.0846 5.0846 6.0613 6.0613 7.3222 7.3222 8.2372 8.2372 8.3176 8.3176 9.2131 9.2131 9.2449 9.2449 15.9601 15.9601 16.3761 16.3761 17.3028 17.3028 18.4328 18.4328 k = 0.0000 0.0000 0.0903 ( 1745 PWs) bands (ev): -10.4987 -10.4987 -8.3558 -8.3558 -6.4690 -6.4690 -5.1851 -5.1851 0.2796 0.2796 0.4510 0.4510 2.3101 2.3101 2.5916 2.5916 4.1325 4.1325 5.1560 5.1560 6.0020 6.0020 7.3806 7.3806 8.2076 8.2076 8.2254 8.2254 9.1982 9.1982 9.2357 9.2357 15.9193 15.9193 16.3389 16.3389 17.2705 17.2705 18.4391 18.4391 k = 0.0000 0.0000 0.0985 ( 1749 PWs) bands (ev): -10.4785 -10.4785 -8.4149 -8.4149 -6.4218 -6.4218 -5.1907 -5.1907 0.2620 0.2620 0.3941 0.3941 2.3367 2.3367 2.6771 2.6771 4.1496 4.1496 5.2308 5.2308 5.9428 5.9428 7.4388 7.4388 8.1271 8.1271 8.1786 8.1786 9.1818 9.1818 9.2229 9.2229 15.8758 15.8758 16.2992 16.2992 17.2454 17.2454 18.4462 18.4462 k = 0.0000 0.0000 0.1068 ( 1745 PWs) bands (ev): -10.4564 -10.4564 -8.4753 -8.4753 -6.3741 -6.3741 -5.1970 -5.1970 0.2424 0.2424 0.3389 0.3389 2.3683 2.3683 2.7626 2.7626 4.1683 4.1683 5.3084 5.3084 5.8838 5.8838 7.4968 7.4968 8.0273 8.0273 8.1469 8.1469 9.1640 9.1640 9.2065 9.2065 15.8302 15.8302 16.2574 16.2574 17.2272 17.2272 18.4541 18.4541 k = 0.0000 0.0000 0.1150 ( 1745 PWs) bands (ev): -10.4327 -10.4327 -8.5368 -8.5368 -6.3262 -6.3262 -5.2040 -5.2040 0.2211 0.2211 0.2855 0.2855 2.4048 2.4048 2.8477 2.8477 4.1883 4.1883 5.3881 5.3881 5.8251 5.8251 7.5545 7.5545 7.9247 7.9247 8.1144 8.1144 9.1447 9.1447 9.1864 9.1864 15.7833 15.7833 16.2135 16.2135 17.2157 17.2157 18.4628 18.4628 k = 0.0000 0.0000 0.1232 ( 1741 PWs) bands (ev): -10.4072 -10.4072 -8.5990 -8.5990 -6.2783 -6.2783 -5.2119 -5.2119 0.1981 0.1981 0.2343 0.2343 2.4462 2.4462 2.9319 2.9319 4.2098 4.2098 5.4691 5.4691 5.7667 5.7667 7.6119 7.6119 7.8202 7.8202 8.0816 8.0816 9.1241 9.1241 9.1625 9.1625 15.7360 15.7360 16.1679 16.1679 17.2104 17.2104 18.4724 18.4724 k = 0.0000 0.0000 0.1314 ( 1745 PWs) bands (ev): -10.3801 -10.3801 -8.6617 -8.6617 -6.2306 -6.2306 -5.2206 -5.2206 0.1736 0.1736 0.1855 0.1855 2.4925 2.4925 3.0145 3.0145 4.2327 4.2327 5.5508 5.5508 5.7087 5.7087 7.6686 7.6686 7.7144 7.7144 8.0490 8.0490 9.1020 9.1020 9.1350 9.1350 15.6889 15.6889 16.1209 16.1209 17.2110 17.2110 18.4829 18.4829 k = 0.0000 0.0000 0.1396 ( 1741 PWs) bands (ev): -10.3513 -10.3513 -8.7248 -8.7248 -6.1832 -6.1832 -5.2303 -5.2303 0.1393 0.1393 0.1481 0.1481 2.5435 2.5435 3.0951 3.0951 4.2571 4.2571 5.6321 5.6321 5.6514 5.6514 7.6077 7.6077 7.7251 7.7251 8.0171 8.0171 9.0786 9.0786 9.1038 9.1038 15.6429 15.6429 16.0727 16.0727 17.2171 17.2171 18.4944 18.4944 k = 0.0000 0.0000 0.1478 ( 1741 PWs) bands (ev): -10.3209 -10.3209 -8.7881 -8.7881 -6.1364 -6.1364 -5.2410 -5.2410 0.0958 0.0958 0.1217 0.1217 2.5988 2.5988 3.1731 3.1731 4.2828 4.2828 5.5940 5.5940 5.7131 5.7131 7.5012 7.5012 7.7809 7.7809 7.9868 7.9868 9.0535 9.0535 9.0691 9.0691 15.5986 15.5986 16.0237 16.0237 17.2284 17.2284 18.5068 18.5068 k = 0.0000 0.0000 0.1560 ( 1743 PWs) bands (ev): -10.2888 -10.2888 -8.8514 -8.8514 -6.0901 -6.0901 -5.2526 -5.2526 0.0551 0.0551 0.0948 0.0948 2.6582 2.6582 3.2478 3.2478 4.3099 4.3099 5.5374 5.5374 5.7920 5.7920 7.3956 7.3956 7.8362 7.8362 7.9586 7.9586 9.0251 9.0251 9.0326 9.0326 15.5567 15.5567 15.9742 15.9742 17.2445 17.2445 18.5202 18.5202 k = 0.0000 0.0000 0.1642 ( 1749 PWs) bands (ev): -10.2551 -10.2551 -8.9146 -8.9146 -6.0446 -6.0446 -5.2654 -5.2654 0.0174 0.0174 0.0676 0.0676 2.7212 2.7212 3.3186 3.3186 4.3383 4.3383 5.4815 5.4815 5.8683 5.8683 7.2917 7.2917 7.8909 7.8909 7.9336 7.9336 8.9860 8.9860 9.0018 9.0018 15.5178 15.5178 15.9245 15.9245 17.2651 17.2651 18.5347 18.5347 k = 0.0000 0.0000 0.1725 ( 1743 PWs) bands (ev): -10.2198 -10.2198 -8.9775 -8.9775 -5.9998 -5.9998 -5.2792 -5.2792 -0.0171 -0.0171 0.0405 0.0405 2.7873 2.7873 3.3848 3.3848 4.3681 4.3681 5.4261 5.4261 5.9412 5.9412 7.1902 7.1902 7.9127 7.9127 7.9449 7.9449 8.9405 8.9405 8.9727 8.9727 15.4823 15.4823 15.8749 15.8749 17.2900 17.2900 18.5502 18.5502 k = 0.0000 0.0000 0.1807 ( 1751 PWs) bands (ev): -10.1830 -10.1830 -9.0401 -9.0401 -5.9559 -5.9559 -5.2943 -5.2943 -0.0487 -0.0487 0.0137 0.0137 2.8560 2.8560 3.4457 3.4457 4.3992 4.3992 5.3714 5.3714 6.0096 6.0096 7.0918 7.0918 7.8968 7.8968 7.9983 7.9983 8.8912 8.8912 8.9425 8.9425 15.4507 15.4507 15.8257 15.8257 17.3188 17.3188 18.5516 18.5516 k = 0.0000 0.0000 0.1889 ( 1751 PWs) bands (ev): -10.1446 -10.1446 -9.1023 -9.1023 -5.9129 -5.9129 -5.3105 -5.3105 -0.0770 -0.0770 -0.0123 -0.0123 2.9267 2.9267 3.5005 3.5005 4.4316 4.4316 5.3174 5.3174 6.0728 6.0728 6.9978 6.9978 7.8870 7.8870 8.0510 8.0510 8.8385 8.8385 8.9111 8.9111 15.4232 15.4232 15.7773 15.7773 17.3515 17.3515 18.5100 18.5100 k = 0.0000 0.0000 0.1971 ( 1747 PWs) bands (ev): -10.1047 -10.1047 -9.1639 -9.1639 -5.8710 -5.8710 -5.3280 -5.3280 -0.1020 -0.1020 -0.0374 -0.0374 2.9988 2.9988 3.5484 3.5484 4.4653 4.4653 5.2641 5.2641 6.1301 6.1301 6.9087 6.9087 7.8843 7.8843 8.1029 8.1029 8.7828 8.7828 8.8785 8.8785 15.4002 15.4002 15.7300 15.7300 17.3878 17.3878 18.4597 18.4597 k = 0.0000 0.0000 0.2053 ( 1749 PWs) bands (ev): -10.0632 -10.0632 -9.2248 -9.2248 -5.8301 -5.8301 -5.3468 -5.3468 -0.1239 -0.1239 -0.0613 -0.0613 3.0716 3.0716 3.5885 3.5885 4.5002 4.5002 5.2115 5.2115 6.1809 6.1809 6.8254 6.8254 7.8893 7.8893 8.1540 8.1540 8.7242 8.7242 8.8447 8.8447 15.3818 15.3818 15.6841 15.6841 17.4276 17.4276 18.4019 18.4019 k = 0.0000 0.0000 0.2135 ( 1745 PWs) bands (ev): -10.0203 -10.0203 -9.2851 -9.2851 -5.7902 -5.7902 -5.3669 -5.3669 -0.1424 -0.1424 -0.0837 -0.0837 3.1442 3.1442 3.6202 3.6202 4.5365 4.5365 5.1598 5.1598 6.2251 6.2251 6.7487 6.7487 7.9026 7.9026 8.2044 8.2044 8.6632 8.6632 8.8096 8.8096 15.3681 15.3681 15.6400 15.6400 17.4708 17.4708 18.3383 18.3383 k = 0.0000 0.0000 0.2217 ( 1739 PWs) bands (ev): -9.9760 -9.9760 -9.3446 -9.3446 -5.7516 -5.7516 -5.3884 -5.3884 -0.1576 -0.1576 -0.1044 -0.1044 3.2158 3.2158 3.6427 3.6427 4.5739 4.5739 5.1090 5.1090 6.2628 6.2628 6.6792 6.6792 7.9245 7.9245 8.2540 8.2540 8.6000 8.6000 8.7734 8.7734 15.3594 15.3594 15.5979 15.5979 17.5172 17.5172 18.2708 18.2708 k = 0.0000 0.0000 0.2299 ( 1739 PWs) bands (ev): -9.9302 -9.9302 -9.4032 -9.4032 -5.7141 -5.7141 -5.4112 -5.4112 -0.1696 -0.1696 -0.1232 -0.1232 3.2856 3.2856 3.6554 3.6554 4.6125 4.6125 5.0589 5.0589 6.2948 6.2948 6.6172 6.6172 7.9548 7.9548 8.3027 8.3027 8.5352 8.5352 8.7360 8.7360 15.3555 15.3555 15.5582 15.5582 17.5667 17.5667 18.2011 18.2011 k = 0.0000 0.0000 0.2382 ( 1737 PWs) bands (ev): -9.8830 -9.8830 -9.4609 -9.4609 -5.6779 -5.6779 -5.4353 -5.4353 -0.1783 -0.1783 -0.1398 -0.1398 3.3524 3.3524 3.6582 3.6582 4.6523 4.6523 5.0098 5.0098 6.3220 6.3220 6.5630 6.5630 7.9931 7.9931 8.3504 8.3504 8.4692 8.4692 8.6975 8.6975 15.3564 15.3564 15.5213 15.5213 17.6193 17.6193 18.1306 18.1306 k = 0.0000 0.0000 0.2464 ( 1741 PWs) bands (ev): -9.8346 -9.8346 -9.5176 -9.5176 -5.6429 -5.6429 -5.4609 -5.4609 -0.1838 -0.1838 -0.1542 -0.1542 3.4153 3.4153 3.6506 3.6506 4.6932 4.6932 4.9614 4.9614 6.3460 6.3460 6.5163 6.5163 8.0385 8.0385 8.3952 8.3952 8.4047 8.4047 8.6578 8.6578 15.3621 15.3621 15.4873 15.4873 17.6748 17.6748 18.0603 18.0603 k = 0.0000 0.0000 0.2546 ( 1739 PWs) bands (ev): -9.7848 -9.7848 -9.5733 -9.5733 -5.6092 -5.6092 -5.4878 -5.4878 -0.1862 -0.1862 -0.1661 -0.1661 3.4732 3.4732 3.6330 3.6330 4.7352 4.7352 4.9142 4.9142 6.3683 6.3683 6.4768 6.4768 8.0900 8.0900 8.3361 8.3361 8.4435 8.4435 8.6170 8.6170 15.3724 15.3724 15.4566 15.4566 17.7331 17.7331 17.9910 17.9910 k = 0.0000 0.0000 0.2628 ( 1739 PWs) bands (ev): -9.7337 -9.7337 -9.6279 -9.6279 -5.5768 -5.5768 -5.5161 -5.5161 -0.1855 -0.1855 -0.1754 -0.1754 3.5249 3.5249 3.6057 3.6057 4.7784 4.7784 4.8679 4.8679 6.3909 6.3909 6.4435 6.4435 8.1467 8.1467 8.2708 8.2708 8.4883 8.4883 8.5752 8.5752 15.3873 15.3873 15.4296 15.4296 17.7941 17.7941 17.9233 17.9233 k = 0.0000 0.0000 0.2710 ( 1738 PWs) bands (ev): -9.6814 -9.6814 -9.6814 -9.6814 -5.5458 -5.5458 -5.5458 -5.5458 -0.1819 -0.1819 -0.1819 -0.1819 3.5694 3.5694 3.5694 3.5694 4.8226 4.8226 4.8226 4.8226 6.4154 6.4154 6.4154 6.4154 8.2073 8.2073 8.2073 8.2073 8.5323 8.5323 8.5323 8.5323 15.4064 15.4064 15.4064 15.4064 17.8576 17.8576 17.8576 17.8576 k = 0.0000 0.0000 0.2710 ( 1738 PWs) bands (ev): -9.6814 -9.6814 -9.6814 -9.6814 -5.5458 -5.5458 -5.5458 -5.5458 -0.1819 -0.1819 -0.1819 -0.1819 3.5694 3.5694 3.5694 3.5694 4.8226 4.8226 4.8226 4.8226 6.4154 6.4154 6.4154 6.4154 8.2073 8.2073 8.2073 8.2073 8.5323 8.5323 8.5323 8.5323 15.4064 15.4064 15.4064 15.4064 17.8576 17.8576 17.8576 17.8576 k = 0.0082-0.0000 0.2710 ( 1742 PWs) bands (ev): -9.6804 -9.6804 -9.6804 -9.6804 -5.5452 -5.5452 -5.5452 -5.5452 -0.1810 -0.1810 -0.1810 -0.1810 3.5702 3.5702 3.5702 3.5702 4.8157 4.8157 4.8159 4.8159 6.4173 6.4173 6.4173 6.4173 8.2053 8.2053 8.2061 8.2061 8.5280 8.5280 8.5287 8.5287 15.4091 15.4091 15.4092 15.4092 17.8584 17.8584 17.8587 17.8587 k = 0.0164-0.0000 0.2710 ( 1742 PWs) bands (ev): -9.6774 -9.6774 -9.6774 -9.6774 -5.5437 -5.5437 -5.5436 -5.5436 -0.1785 -0.1785 -0.1784 -0.1784 3.5724 3.5724 3.5725 3.5725 4.7956 4.7956 4.7958 4.7958 6.4231 6.4231 6.4231 6.4231 8.1999 8.1999 8.2015 8.2015 8.5162 8.5162 8.5177 8.5177 15.4173 15.4173 15.4176 15.4176 17.8612 17.8612 17.8618 17.8618 k = 0.0246-0.0000 0.2710 ( 1738 PWs) bands (ev): -9.6723 -9.6723 -9.6723 -9.6723 -5.5410 -5.5410 -5.5410 -5.5410 -0.1742 -0.1742 -0.1741 -0.1741 3.5761 3.5761 3.5763 3.5763 4.7627 4.7627 4.7631 4.7631 6.4322 6.4322 6.4323 6.4323 8.1909 8.1909 8.1934 8.1934 8.4971 8.4971 8.4995 8.4995 15.4308 15.4308 15.4312 15.4312 17.8661 17.8661 17.8669 17.8669 k = 0.0328-0.0000 0.2710 ( 1734 PWs) bands (ev): -9.6653 -9.6653 -9.6653 -9.6653 -5.5373 -5.5373 -5.5373 -5.5373 -0.1681 -0.1681 -0.1681 -0.1681 3.5813 3.5813 3.5815 3.5815 4.7178 4.7178 4.7183 4.7183 6.4440 6.4440 6.4441 6.4441 8.1779 8.1779 8.1814 8.1814 8.4714 8.4714 8.4747 8.4747 15.4492 15.4492 15.4496 15.4496 17.8732 17.8732 17.8744 17.8744 k = 0.0410-0.0000 0.2710 ( 1740 PWs) bands (ev): -9.6562 -9.6562 -9.6562 -9.6562 -5.5326 -5.5326 -5.5326 -5.5326 -0.1604 -0.1604 -0.1603 -0.1603 3.5877 3.5877 3.5880 3.5880 4.6620 4.6620 4.6626 4.6626 6.4578 6.4578 6.4579 6.4579 8.1600 8.1600 8.1646 8.1646 8.4401 8.4401 8.4444 8.4444 15.4718 15.4718 15.4723 15.4723 17.8829 17.8829 17.8843 17.8843 k = 0.0492-0.0000 0.2710 ( 1740 PWs) bands (ev): -9.6452 -9.6452 -9.6452 -9.6452 -5.5269 -5.5269 -5.5268 -5.5268 -0.1509 -0.1509 -0.1509 -0.1509 3.5953 3.5953 3.5957 3.5957 4.5965 4.5965 4.5972 4.5972 6.4725 6.4725 6.4727 6.4727 8.1362 8.1362 8.1420 8.1420 8.4046 8.4046 8.4100 8.4100 15.4981 15.4981 15.4988 15.4988 17.8954 17.8954 17.8971 17.8971 k = 0.0574-0.0000 0.2710 ( 1744 PWs) bands (ev): -9.6321 -9.6321 -9.6321 -9.6321 -5.5202 -5.5202 -5.5201 -5.5201 -0.1398 -0.1398 -0.1397 -0.1397 3.6038 3.6038 3.6044 3.6044 4.5225 4.5225 4.5233 4.5233 6.4876 6.4876 6.4878 6.4878 8.1051 8.1051 8.1120 8.1120 8.3669 8.3669 8.3733 8.3733 15.5273 15.5273 15.5280 15.5280 17.9111 17.9111 17.9129 17.9129 k = 0.0656-0.0000 0.2710 ( 1748 PWs) bands (ev): -9.6171 -9.6171 -9.6171 -9.6171 -5.5125 -5.5125 -5.5125 -5.5125 -0.1270 -0.1270 -0.1269 -0.1269 3.6129 3.6129 3.6136 3.6136 4.4413 4.4413 4.4424 4.4424 6.5021 6.5021 6.5024 6.5024 8.0652 8.0652 8.0730 8.0730 8.3291 8.3291 8.3364 8.3364 15.5585 15.5585 15.5593 15.5593 17.9303 17.9303 17.9323 17.9323 k = 0.0738-0.0000 0.2710 ( 1756 PWs) bands (ev): -9.6000 -9.6000 -9.6000 -9.6000 -5.5040 -5.5040 -5.5039 -5.5039 -0.1124 -0.1124 -0.1123 -0.1123 3.6219 3.6219 3.6228 3.6228 4.3546 4.3546 4.3558 4.3558 6.5154 6.5154 6.5158 6.5158 8.0150 8.0150 8.0234 8.0234 8.2932 8.2932 8.3010 8.3010 15.5909 15.5909 15.5918 15.5918 17.9533 17.9533 17.9554 17.9554 k = 0.0820-0.0000 0.2710 ( 1760 PWs) bands (ev): -9.5810 -9.5810 -9.5810 -9.5810 -5.4945 -5.4945 -5.4944 -5.4944 -0.0962 -0.0962 -0.0961 -0.0961 3.6298 3.6298 3.6309 3.6309 4.2643 4.2643 4.2658 4.2658 6.5270 6.5270 6.5274 6.5274 7.9544 7.9544 7.9629 7.9629 8.2603 8.2603 8.2681 8.2681 15.6235 15.6235 15.6244 15.6244 17.9803 17.9803 17.9825 17.9825 k = 0.0902-0.0000 0.2710 ( 1758 PWs) bands (ev): -9.5599 -9.5599 -9.5599 -9.5599 -5.4842 -5.4842 -5.4841 -5.4841 -0.0784 -0.0784 -0.0782 -0.0782 3.6348 3.6348 3.6362 3.6362 4.1731 4.1731 4.1749 4.1749 6.5361 6.5361 6.5367 6.5367 7.8838 7.8838 7.8922 7.8922 8.2303 8.2303 8.2379 8.2379 15.6554 15.6554 15.6564 15.6564 18.0115 18.0115 18.0137 18.0137 k = 0.0984-0.0000 0.2710 ( 1754 PWs) bands (ev): -9.5369 -9.5369 -9.5369 -9.5369 -5.4731 -5.4731 -5.4730 -5.4730 -0.0589 -0.0589 -0.0587 -0.0587 3.6330 3.6330 3.6348 3.6348 4.0853 4.0853 4.0875 4.0875 6.5425 6.5425 6.5432 6.5432 7.8043 7.8043 7.8123 7.8123 8.2026 8.2026 8.2098 8.2098 15.6860 15.6860 15.6870 15.6870 18.0470 18.0470 18.0492 18.0492 k = 0.1066-0.0000 0.2710 ( 1746 PWs) bands (ev): -9.5119 -9.5119 -9.5119 -9.5119 -5.4613 -5.4613 -5.4612 -5.4612 -0.0377 -0.0377 -0.0375 -0.0375 3.6182 3.6182 3.6203 3.6203 4.0082 4.0082 4.0108 4.0108 6.5456 6.5456 6.5464 6.5464 7.7172 7.7172 7.7249 7.7249 8.1765 8.1765 8.1832 8.1832 15.7144 15.7144 15.7154 15.7154 18.0866 18.0866 18.0887 18.0887 k = 0.1148-0.0000 0.2710 ( 1746 PWs) bands (ev): -9.4850 -9.4850 -9.4850 -9.4850 -5.4489 -5.4489 -5.4487 -5.4487 -0.0149 -0.0149 -0.0147 -0.0147 3.5810 3.5810 3.5834 3.5834 3.9515 3.9515 3.9544 3.9544 6.5450 6.5450 6.5460 6.5460 7.6235 7.6235 7.6310 7.6310 8.1514 8.1514 8.1577 8.1577 15.7402 15.7402 15.7412 15.7412 18.1298 18.1298 18.1319 18.1319 k = 0.1230-0.0000 0.2710 ( 1750 PWs) bands (ev): -9.4561 -9.4561 -9.4560 -9.4560 -5.4358 -5.4358 -5.4356 -5.4356 0.0094 0.0094 0.0096 0.0096 3.5162 3.5162 3.5184 3.5184 3.9216 3.9216 3.9243 3.9243 6.5402 6.5402 6.5414 6.5414 7.5246 7.5246 7.5319 7.5319 8.1270 8.1270 8.1328 8.1328 15.7630 15.7630 15.7640 15.7640 18.1765 18.1765 18.1784 18.1784 k = 0.1311-0.0000 0.2710 ( 1750 PWs) bands (ev): -9.4252 -9.4252 -9.4252 -9.4252 -5.4222 -5.4222 -5.4220 -5.4220 0.0353 0.0353 0.0356 0.0356 3.4278 3.4278 3.4296 3.4296 3.9147 3.9147 3.9170 3.9170 6.5308 6.5308 6.5323 6.5323 7.4215 7.4215 7.4286 7.4286 8.1030 8.1030 8.1084 8.1084 15.7826 15.7826 15.7836 15.7836 18.2260 18.2260 18.2278 18.2278 k = 0.1393-0.0000 0.2710 ( 1746 PWs) bands (ev): -9.3924 -9.3924 -9.3924 -9.3924 -5.4082 -5.4082 -5.4080 -5.4080 0.0628 0.0628 0.0631 0.0631 3.3240 3.3240 3.3255 3.3255 3.9228 3.9228 3.9247 3.9247 6.5164 6.5164 6.5181 6.5181 7.3152 7.3152 7.3223 7.3223 8.0792 8.0792 8.0844 8.0844 15.7990 15.7990 15.7999 15.7999 18.2777 18.2777 18.2794 18.2794 k = 0.1475-0.0000 0.2710 ( 1736 PWs) bands (ev): -9.3576 -9.3576 -9.3576 -9.3576 -5.3938 -5.3938 -5.3936 -5.3936 0.0918 0.0918 0.0921 0.0921 3.2111 3.2111 3.2123 3.2123 3.9400 3.9400 3.9416 3.9416 6.4961 6.4961 6.4983 6.4983 7.2069 7.2069 7.2141 7.2141 8.0558 8.0558 8.0607 8.0607 15.8122 15.8122 15.8130 15.8130 18.3313 18.3313 18.3328 18.3328 k = 0.1557-0.0000 0.2710 ( 1736 PWs) bands (ev): -9.3210 -9.3210 -9.3210 -9.3210 -5.3792 -5.3792 -5.3790 -5.3790 0.1223 0.1223 0.1226 0.1226 3.0928 3.0928 3.0938 3.0938 3.9630 3.9630 3.9644 3.9644 6.4692 6.4692 6.4719 6.4719 7.0979 7.0979 7.1053 7.1053 8.0325 8.0325 8.0372 8.0372 15.8224 15.8224 15.8232 15.8232 18.3859 18.3859 18.3873 18.3873 k = 0.1639-0.0000 0.2710 ( 1734 PWs) bands (ev): -9.2824 -9.2824 -9.2824 -9.2824 -5.3644 -5.3644 -5.3642 -5.3642 0.1542 0.1542 0.1546 0.1546 2.9713 2.9713 2.9721 2.9721 3.9900 3.9900 3.9912 3.9912 6.4345 6.4345 6.4377 6.4377 6.9896 6.9896 6.9973 6.9973 8.0096 8.0096 8.0140 8.0140 15.8300 15.8300 15.8308 15.8308 18.4413 18.4413 18.4425 18.4425 k = 0.1721-0.0000 0.2710 ( 1730 PWs) bands (ev): -9.2420 -9.2420 -9.2420 -9.2420 -5.3496 -5.3496 -5.3494 -5.3494 0.1876 0.1876 0.1880 0.1880 2.8480 2.8480 2.8488 2.8488 4.0200 4.0200 4.0210 4.0210 6.3907 6.3907 6.3945 6.3945 6.8840 6.8840 6.8921 6.8921 7.9869 7.9869 7.9912 7.9912 15.8353 15.8353 15.8360 15.8360 18.4971 18.4971 18.4982 18.4982 k = 0.1803-0.0000 0.2710 ( 1730 PWs) bands (ev): -9.1996 -9.1996 -9.1996 -9.1996 -5.3349 -5.3349 -5.3347 -5.3347 0.2223 0.2223 0.2228 0.2228 2.7239 2.7239 2.7245 2.7245 4.0522 4.0522 4.0531 4.0531 6.3361 6.3361 6.3404 6.3404 6.7834 6.7834 6.7917 6.7917 7.9646 7.9646 7.9687 7.9687 15.8386 15.8386 15.8393 15.8393 18.5530 18.5530 18.5539 18.5539 k = 0.1885-0.0000 0.2710 ( 1738 PWs) bands (ev): -9.1555 -9.1555 -9.1554 -9.1554 -5.3204 -5.3204 -5.3202 -5.3202 0.2584 0.2584 0.2589 0.2589 2.5997 2.5997 2.6003 2.6003 4.0863 4.0863 4.0870 4.0870 6.2691 6.2691 6.2738 6.2738 6.6896 6.6896 6.6982 6.6982 7.9425 7.9425 7.9464 7.9464 15.8404 15.8404 15.8411 15.8411 18.6087 18.6087 18.6096 18.6096 k = 0.1967-0.0000 0.2710 ( 1740 PWs) bands (ev): -9.1094 -9.1094 -9.1094 -9.1094 -5.3063 -5.3063 -5.3061 -5.3061 0.2957 0.2957 0.2962 0.2962 2.4761 2.4761 2.4766 2.4766 4.1218 4.1218 4.1224 4.1224 6.1892 6.1892 6.1940 6.1940 6.6042 6.6042 6.6126 6.6126 7.9207 7.9207 7.9245 7.9245 15.8411 15.8411 15.8417 15.8417 18.6641 18.6641 18.6649 18.6649 k = 0.2049-0.0000 0.2710 ( 1740 PWs) bands (ev): -9.0615 -9.0615 -9.0615 -9.0615 -5.2927 -5.2927 -5.2925 -5.2925 0.3342 0.3342 0.3348 0.3348 2.3535 2.3535 2.3540 2.3540 4.1584 4.1584 4.1589 4.1589 6.0975 6.0975 6.1021 6.1021 6.5266 6.5266 6.5347 6.5347 7.8992 7.8992 7.9029 7.9029 15.8410 15.8410 15.8415 15.8415 18.7191 18.7191 18.7199 18.7199 k = 0.2131-0.0000 0.2710 ( 1744 PWs) bands (ev): -9.0119 -9.0119 -9.0118 -9.0118 -5.2799 -5.2799 -5.2796 -5.2796 0.3738 0.3738 0.3744 0.3744 2.2325 2.2325 2.2330 2.2330 4.1957 4.1957 4.1960 4.1960 5.9962 5.9962 6.0006 6.0006 6.4549 6.4549 6.4625 6.4625 7.8779 7.8779 7.8815 7.8815 15.8404 15.8404 15.8409 15.8409 18.7734 18.7734 18.7742 18.7742 k = 0.2213-0.0000 0.2710 ( 1742 PWs) bands (ev): -8.9604 -8.9604 -8.9603 -8.9603 -5.2678 -5.2678 -5.2675 -5.2675 0.4145 0.4145 0.4152 0.4152 2.1136 2.1136 2.1141 2.1141 4.2332 4.2332 4.2334 4.2334 5.8884 5.8884 5.8924 5.8924 6.3870 6.3870 6.3941 6.3941 7.8568 7.8568 7.8603 7.8603 15.8398 15.8398 15.8403 15.8403 18.8268 18.8268 18.8277 18.8277 k = 0.2295-0.0000 0.2710 ( 1738 PWs) bands (ev): -8.9071 -8.9071 -8.9071 -8.9071 -5.2568 -5.2568 -5.2565 -5.2565 0.4560 0.4560 0.4568 0.4568 1.9971 1.9971 1.9976 1.9976 4.2705 4.2705 4.2706 4.2706 5.7767 5.7767 5.7804 5.7804 6.3210 6.3210 6.3275 6.3275 7.8357 7.8357 7.8391 7.8391 15.8394 15.8394 15.8399 15.8399 18.8790 18.8790 18.8799 18.8799 k = 0.2377-0.0000 0.2710 ( 1738 PWs) bands (ev): -8.8521 -8.8521 -8.8521 -8.8521 -5.2471 -5.2471 -5.2468 -5.2468 0.4984 0.4984 0.4992 0.4992 1.8836 1.8836 1.8841 1.8841 4.3066 4.3066 4.3068 4.3068 5.6637 5.6637 5.6673 5.6673 6.2553 6.2553 6.2614 6.2614 7.8145 7.8145 7.8178 7.8178 15.8396 15.8396 15.8400 15.8400 18.9295 18.9295 18.9305 18.9305 k = 0.2459-0.0000 0.2710 ( 1734 PWs) bands (ev): -8.7954 -8.7954 -8.7953 -8.7953 -5.2387 -5.2387 -5.2384 -5.2384 0.5413 0.5413 0.5423 0.5423 1.7735 1.7735 1.7741 1.7741 4.3405 4.3405 4.3410 4.3410 5.5517 5.5517 5.5552 5.5552 6.1891 6.1891 6.1948 6.1948 7.7931 7.7931 7.7964 7.7964 15.8404 15.8404 15.8408 15.8408 18.9774 18.9774 18.9786 18.9786 k = 0.2541-0.0000 0.2710 ( 1744 PWs) bands (ev): -8.7370 -8.7370 -8.7369 -8.7369 -5.2320 -5.2320 -5.2317 -5.2317 0.5847 0.5847 0.5858 0.5858 1.6671 1.6671 1.6678 1.6678 4.3707 4.3707 4.3715 4.3715 5.4431 5.4431 5.4467 5.4467 6.1220 6.1220 6.1274 6.1274 7.7714 7.7714 7.7746 7.7746 15.8423 15.8423 15.8427 15.8427 19.0217 19.0217 19.0231 19.0231 k = 0.2623-0.0000 0.2710 ( 1748 PWs) bands (ev): -8.6769 -8.6769 -8.6768 -8.6768 -5.2272 -5.2272 -5.2269 -5.2269 0.6281 0.6281 0.6294 0.6294 1.5652 1.5652 1.5659 1.5659 4.3950 4.3950 4.3961 4.3961 5.3409 5.3409 5.3447 5.3447 6.0536 6.0536 6.0588 6.0588 7.7491 7.7491 7.7523 7.7523 15.8454 15.8454 15.8457 15.8457 19.0603 19.0603 19.0619 19.0619 k = 0.2705-0.0000 0.2710 ( 1748 PWs) bands (ev): -8.6151 -8.6151 -8.6151 -8.6151 -5.2244 -5.2244 -5.2241 -5.2241 0.6712 0.6712 0.6727 0.6727 1.4683 1.4683 1.4692 1.4692 4.4100 4.4100 4.4116 4.4116 5.2489 5.2489 5.2530 5.2530 5.9842 5.9842 5.9891 5.9891 7.7264 7.7264 7.7295 7.7295 15.8498 15.8498 15.8501 15.8501 19.0905 19.0905 19.0923 19.0923 k = 0.2787-0.0000 0.2710 ( 1748 PWs) bands (ev): -8.5518 -8.5518 -8.5517 -8.5517 -5.2239 -5.2239 -5.2235 -5.2235 0.7133 0.7133 0.7150 0.7150 1.3771 1.3771 1.3782 1.3782 4.4115 4.4115 4.4136 4.4136 5.1715 5.1715 5.1760 5.1760 5.9137 5.9137 5.9184 5.9184 7.7029 7.7029 7.7059 7.7059 15.8558 15.8558 15.8561 15.8561 19.1080 19.1080 19.1100 19.1100 k = 0.2869-0.0000 0.2710 ( 1748 PWs) bands (ev): -8.4868 -8.4868 -8.4868 -8.4868 -5.2259 -5.2259 -5.2255 -5.2255 0.7534 0.7534 0.7555 0.7555 1.2930 1.2930 1.2944 1.2944 4.3951 4.3951 4.3976 4.3976 5.1135 5.1135 5.1183 5.1183 5.8425 5.8425 5.8471 5.8471 7.6786 7.6786 7.6816 7.6816 15.8635 15.8635 15.8638 15.8638 19.1079 19.1079 19.1100 19.1100 k = 0.2951-0.0000 0.2710 ( 1742 PWs) bands (ev): -8.4204 -8.4204 -8.4203 -8.4203 -5.2305 -5.2305 -5.2302 -5.2302 0.7896 0.7896 0.7921 0.7921 1.2178 1.2178 1.2195 1.2195 4.3581 4.3581 4.3609 4.3609 5.0776 5.0776 5.0825 5.0825 5.7714 5.7714 5.7759 5.7759 7.6533 7.6533 7.6562 7.6562 15.8731 15.8731 15.8733 15.8733 19.0865 19.0865 19.0886 19.0886 k = 0.3033-0.0000 0.2710 ( 1746 PWs) bands (ev): -8.3524 -8.3524 -8.3523 -8.3523 -5.2381 -5.2381 -5.2377 -5.2377 0.8183 0.8183 0.8214 0.8214 1.1550 1.1550 1.1573 1.1573 4.3014 4.3014 4.3043 4.3043 5.0622 5.0622 5.0672 5.0672 5.7011 5.7011 5.7055 5.7055 7.6269 7.6269 7.6298 7.6298 15.8846 15.8846 15.8848 15.8848 19.0437 19.0437 19.0457 19.0457 k = 0.3115-0.0000 0.2710 ( 1746 PWs) bands (ev): -8.2829 -8.2829 -8.2829 -8.2829 -5.2488 -5.2488 -5.2484 -5.2484 0.8334 0.8334 0.8370 0.8370 1.1111 1.1111 1.1139 1.1139 4.2293 4.2293 4.2321 4.2321 5.0621 5.0621 5.0669 5.0669 5.6333 5.6333 5.6376 5.6376 7.5992 7.5992 7.6021 7.6021 15.8982 15.8982 15.8983 15.8983 18.9832 18.9832 18.9850 18.9850 k = 0.3197-0.0000 0.2710 ( 1746 PWs) bands (ev): -8.2121 -8.2121 -8.2120 -8.2120 -5.2627 -5.2627 -5.2624 -5.2624 0.8282 0.8282 0.8320 0.8320 1.0930 1.0930 1.0958 1.0958 4.1471 4.1471 4.1498 4.1498 5.0700 5.0700 5.0745 5.0745 5.5708 5.5708 5.5749 5.5749 7.5703 7.5703 7.5731 7.5731 15.9139 15.9139 15.9141 15.9141 18.9096 18.9096 18.9112 18.9112 k = 0.3279-0.0000 0.2710 ( 1750 PWs) bands (ev): -8.1399 -8.1399 -8.1398 -8.1398 -5.2801 -5.2801 -5.2798 -5.2798 0.8037 0.8037 0.8071 0.8071 1.0996 1.0996 1.1019 1.1019 4.0593 4.0593 4.0619 4.0619 5.0772 5.0772 5.0813 5.0813 5.5180 5.5180 5.5217 5.5217 7.5399 7.5399 7.5427 7.5427 15.9319 15.9319 15.9321 15.9321 18.8270 18.8270 18.8283 18.8283 k = 0.3361-0.0000 0.2710 ( 1750 PWs) bands (ev): -8.0663 -8.0663 -8.0662 -8.0662 -5.3011 -5.3011 -5.3007 -5.3007 0.7688 0.7688 0.7717 0.7717 1.1215 1.1215 1.1232 1.1232 3.9693 3.9693 3.9718 3.9718 5.0746 5.0746 5.0778 5.0778 5.4817 5.4817 5.4847 5.4847 7.5081 7.5081 7.5108 7.5108 15.9523 15.9523 15.9524 15.9524 18.7382 18.7382 18.7394 18.7394 k = 0.3443-0.0000 0.2710 ( 1750 PWs) bands (ev): -7.9915 -7.9915 -7.9914 -7.9914 -5.3258 -5.3258 -5.3254 -5.3254 0.7313 0.7313 0.7337 0.7337 1.1502 1.1502 1.1514 1.1514 3.8799 3.8799 3.8823 3.8823 5.0539 5.0539 5.0560 5.0560 5.4682 5.4682 5.4701 5.4701 7.4747 7.4747 7.4774 7.4774 15.9751 15.9751 15.9752 15.9752 18.6454 18.6454 18.6464 18.6464 k = 0.3525-0.0000 0.2710 ( 1750 PWs) bands (ev): -7.9155 -7.9155 -7.9154 -7.9154 -5.3542 -5.3542 -5.3538 -5.3538 0.6956 0.6956 0.6977 0.6977 1.1809 1.1809 1.1817 1.1817 3.7929 3.7929 3.7953 3.7953 5.0129 5.0129 5.0139 5.0139 5.4781 5.4781 5.4789 5.4789 7.4396 7.4396 7.4423 7.4423 16.0003 16.0003 16.0004 16.0004 18.5498 18.5498 18.5508 18.5508 k = 0.3607-0.0000 0.2710 ( 1750 PWs) bands (ev): -7.8383 -7.8383 -7.8382 -7.8382 -5.3865 -5.3865 -5.3861 -5.3861 0.6638 0.6638 0.6657 0.6657 1.2109 1.2109 1.2114 1.2114 3.7100 3.7100 3.7123 3.7123 4.9556 4.9556 4.9557 4.9557 5.5064 5.5064 5.5064 5.5064 7.4030 7.4030 7.4056 7.4056 16.0281 16.0281 16.0282 16.0282 18.4525 18.4525 18.4535 18.4535 k = 0.3689-0.0000 0.2710 ( 1758 PWs) bands (ev): -7.7601 -7.7601 -7.7600 -7.7600 -5.4226 -5.4226 -5.4223 -5.4223 0.6370 0.6370 0.6387 0.6387 1.2384 1.2384 1.2387 1.2387 3.6325 3.6325 3.6349 3.6349 4.8870 4.8870 4.8876 4.8876 5.5464 5.5464 5.5469 5.5469 7.3645 7.3645 7.3671 7.3671 16.0585 16.0585 16.0586 16.0586 18.3543 18.3543 18.3552 18.3552 k = 0.3770-0.0000 0.2710 ( 1762 PWs) bands (ev): -7.6809 -7.6809 -7.6808 -7.6808 -5.4626 -5.4626 -5.4622 -5.4622 0.6159 0.6159 0.6174 0.6174 1.2623 1.2623 1.2623 1.2623 3.5618 3.5618 3.5642 3.5642 4.8120 4.8120 4.8131 4.8131 5.5944 5.5944 5.5954 5.5954 7.3244 7.3244 7.3270 7.3270 16.0915 16.0915 16.0916 16.0916 18.2557 18.2557 18.2565 18.2565 k = 0.3852-0.0000 0.2710 ( 1762 PWs) bands (ev): -7.6007 -7.6007 -7.6006 -7.6006 -5.5064 -5.5064 -5.5060 -5.5060 0.6006 0.6006 0.6021 0.6021 1.2812 1.2812 1.2813 1.2813 3.4990 3.4990 3.5014 3.5014 4.7332 4.7332 4.7345 4.7345 5.6478 5.6478 5.6491 5.6491 7.2826 7.2826 7.2851 7.2851 16.1272 16.1272 16.1274 16.1274 18.1572 18.1572 18.1579 18.1579 k = 0.3934-0.0000 0.2710 ( 1758 PWs) bands (ev): -7.5196 -7.5196 -7.5195 -7.5195 -5.5539 -5.5539 -5.5536 -5.5536 0.5913 0.5913 0.5927 0.5927 1.2944 1.2944 1.2947 1.2947 3.4451 3.4451 3.4476 3.4476 4.6521 4.6521 4.6536 4.6536 5.7049 5.7049 5.7063 5.7063 7.2390 7.2390 7.2415 7.2415 16.1656 16.1656 16.1658 16.1658 18.0590 18.0590 18.0598 18.0598 k = 0.4016-0.0000 0.2710 ( 1758 PWs) bands (ev): -7.4379 -7.4379 -7.4377 -7.4377 -5.6051 -5.6051 -5.6047 -5.6047 0.5880 0.5880 0.5893 0.5893 1.3011 1.3011 1.3016 1.3016 3.4011 3.4011 3.4036 3.4036 4.5695 4.5695 4.5712 4.5712 5.7645 5.7645 5.7660 5.7660 7.1937 7.1937 7.1961 7.1961 16.2068 16.2068 16.2070 16.2070 17.9616 17.9616 17.9623 17.9623 k = 0.4098-0.0000 0.2710 ( 1762 PWs) bands (ev): -7.3554 -7.3554 -7.3553 -7.3553 -5.6597 -5.6597 -5.6594 -5.6594 0.5905 0.5905 0.5918 0.5918 1.3008 1.3008 1.3014 1.3014 3.3676 3.3676 3.3700 3.3700 4.4863 4.4863 4.4881 4.4881 5.8258 5.8258 5.8275 5.8275 7.1466 7.1466 7.1491 7.1491 16.2507 16.2507 16.2509 16.2509 17.8651 17.8651 17.8658 17.8658 k = 0.4180-0.0000 0.2710 ( 1758 PWs) bands (ev): -7.2724 -7.2724 -7.2722 -7.2722 -5.7177 -5.7177 -5.7174 -5.7174 0.5988 0.5988 0.6000 0.6000 1.2932 1.2932 1.2940 1.2940 3.3450 3.3450 3.3475 3.3475 4.4030 4.4030 4.4048 4.4048 5.8886 5.8886 5.8903 5.8903 7.0979 7.0979 7.1003 7.1003 16.2973 16.2973 16.2976 16.2976 17.7698 17.7698 17.7704 17.7704 k = 0.4262-0.0000 0.2710 ( 1758 PWs) bands (ev): -7.1889 -7.1889 -7.1887 -7.1887 -5.7789 -5.7789 -5.7786 -5.7786 0.6126 0.6126 0.6138 0.6138 1.2784 1.2784 1.2792 1.2792 3.3335 3.3335 3.3360 3.3360 4.3198 4.3198 4.3217 4.3217 5.9523 5.9523 5.9541 5.9541 7.0476 7.0476 7.0500 7.0500 16.3468 16.3468 16.3470 16.3470 17.6758 17.6758 17.6764 17.6764 k = 0.4344-0.0000 0.2710 ( 1754 PWs) bands (ev): -7.1050 -7.1050 -7.1049 -7.1049 -5.8431 -5.8431 -5.8428 -5.8428 0.6316 0.6316 0.6328 0.6328 1.2566 1.2566 1.2575 1.2575 3.3329 3.3329 3.3354 3.3354 4.2373 4.2373 4.2392 4.2392 6.0166 6.0166 6.0185 6.0185 6.9956 6.9956 6.9980 6.9980 16.3990 16.3990 16.3993 16.3993 17.5834 17.5834 17.5840 17.5840 k = 0.4426-0.0000 0.2710 ( 1750 PWs) bands (ev): -7.0210 -7.0210 -7.0208 -7.0208 -5.9100 -5.9100 -5.9097 -5.9097 0.6556 0.6556 0.6568 0.6568 1.2284 1.2284 1.2293 1.2293 3.3427 3.3427 3.3453 3.3453 4.1556 4.1556 4.1576 4.1576 6.0814 6.0814 6.0833 6.0833 6.9421 6.9421 6.9445 6.9445 16.4539 16.4539 16.4542 16.4542 17.4926 17.4926 17.4932 17.4932 k = 0.4508-0.0000 0.2710 ( 1754 PWs) bands (ev): -6.9368 -6.9368 -6.9367 -6.9367 -5.9795 -5.9795 -5.9793 -5.9793 0.6842 0.6842 0.6853 0.6853 1.1945 1.1945 1.1955 1.1955 3.3624 3.3624 3.3649 3.3649 4.0752 4.0752 4.0773 4.0773 6.1464 6.1464 6.1483 6.1483 6.8871 6.8871 6.8894 6.8894 16.5116 16.5116 16.5120 16.5120 17.4037 17.4037 17.4042 17.4042 k = 0.4590-0.0000 0.2710 ( 1758 PWs) bands (ev): -6.8527 -6.8527 -6.8526 -6.8526 -6.0514 -6.0514 -6.0512 -6.0512 0.7170 0.7170 0.7181 0.7181 1.1559 1.1559 1.1569 1.1569 3.3910 3.3910 3.3935 3.3935 3.9964 3.9964 3.9985 3.9985 6.2113 6.2113 6.2133 6.2133 6.8308 6.8308 6.8330 6.8330 16.5721 16.5721 16.5724 16.5724 17.3166 17.3166 17.3171 17.3171 k = 0.4672-0.0000 0.2710 ( 1758 PWs) bands (ev): -6.7688 -6.7688 -6.7687 -6.7687 -6.1254 -6.1254 -6.1252 -6.1252 0.7536 0.7536 0.7547 0.7547 1.1137 1.1137 1.1147 1.1147 3.4278 3.4278 3.4302 3.4302 3.9195 3.9195 3.9216 3.9216 6.2761 6.2761 6.2781 6.2781 6.7731 6.7731 6.7753 6.7753 16.6352 16.6352 16.6355 16.6355 17.2316 17.2316 17.2321 17.2321 k = 0.4754-0.0000 0.2710 ( 1760 PWs) bands (ev): -6.6853 -6.6853 -6.6851 -6.6851 -6.2014 -6.2014 -6.2011 -6.2011 0.7934 0.7934 0.7945 0.7945 1.0687 1.0687 1.0698 1.0698 3.4718 3.4718 3.4742 3.4742 3.8449 3.8449 3.8471 3.8471 6.3406 6.3406 6.3427 6.3427 6.7141 6.7141 6.7164 6.7164 16.7010 16.7010 16.7013 16.7013 17.1487 17.1487 17.1492 17.1492 k = 0.4836-0.0000 0.2710 ( 1756 PWs) bands (ev): -6.6023 -6.6023 -6.6021 -6.6021 -6.2790 -6.2790 -6.2788 -6.2788 0.8361 0.8361 0.8372 0.8372 1.0221 1.0221 1.0232 1.0232 3.5222 3.5222 3.5246 3.5246 3.7730 3.7730 3.7752 3.7752 6.4047 6.4047 6.4068 6.4068 6.6541 6.6541 6.6563 6.6563 16.7694 16.7694 16.7698 16.7698 17.0681 17.0681 17.0686 17.0686 k = 0.4918-0.0000 0.2710 ( 1756 PWs) bands (ev): -6.5199 -6.5199 -6.5197 -6.5197 -6.3581 -6.3581 -6.3579 -6.3579 0.8810 0.8810 0.8821 0.8821 0.9748 0.9748 0.9758 0.9758 3.5782 3.5782 3.5806 3.5806 3.7042 3.7042 3.7065 3.7065 6.4682 6.4682 6.4703 6.4703 6.5930 6.5930 6.5952 6.5952 16.8403 16.8403 16.8407 16.8407 16.9898 16.9898 16.9902 16.9902 k = 0.5000-0.0000 0.2710 ( 1752 PWs) bands (ev): -6.4385 -6.4385 -6.4385 -6.4385 -6.4383 -6.4383 -6.4383 -6.4383 0.9275 0.9275 0.9275 0.9275 0.9285 0.9285 0.9285 0.9285 3.6391 3.6391 3.6391 3.6391 3.6414 3.6414 3.6414 3.6414 6.5310 6.5310 6.5310 6.5310 6.5332 6.5332 6.5332 6.5332 16.9138 16.9138 16.9138 16.9138 16.9143 16.9143 16.9143 16.9143 k = 0.5000-0.0000 0.2710 ( 1752 PWs) bands (ev): -6.4385 -6.4385 -6.4385 -6.4385 -6.4383 -6.4383 -6.4383 -6.4383 0.9275 0.9275 0.9275 0.9275 0.9285 0.9285 0.9285 0.9285 3.6391 3.6391 3.6391 3.6391 3.6414 3.6414 3.6414 3.6414 6.5310 6.5310 6.5310 6.5310 6.5332 6.5332 6.5332 6.5332 16.9138 16.9138 16.9138 16.9138 16.9143 16.9143 16.9143 16.9143 k = 0.5000 0.0081 0.2710 ( 1752 PWs) bands (ev): -6.4383 -6.4383 -6.4383 -6.4383 -6.4380 -6.4380 -6.4380 -6.4380 0.9248 0.9248 0.9248 0.9248 0.9259 0.9259 0.9259 0.9259 3.6421 3.6421 3.6423 3.6423 3.6444 3.6444 3.6445 3.6445 6.5311 6.5311 6.5312 6.5312 6.5332 6.5332 6.5334 6.5334 16.9136 16.9136 16.9136 16.9136 16.9140 16.9140 16.9140 16.9140 k = 0.5000 0.0163 0.2710 ( 1752 PWs) bands (ev): -6.4376 -6.4376 -6.4376 -6.4376 -6.4374 -6.4374 -6.4374 -6.4374 0.9169 0.9169 0.9169 0.9169 0.9179 0.9179 0.9180 0.9180 3.6511 3.6511 3.6516 3.6516 3.6535 3.6535 3.6537 3.6537 6.5315 6.5315 6.5317 6.5317 6.5335 6.5335 6.5339 6.5339 16.9128 16.9128 16.9128 16.9128 16.9133 16.9133 16.9133 16.9133 k = 0.5000 0.0244 0.2710 ( 1752 PWs) bands (ev): -6.4366 -6.4366 -6.4365 -6.4365 -6.4363 -6.4363 -6.4363 -6.4363 0.9039 0.9039 0.9039 0.9039 0.9049 0.9049 0.9050 0.9050 3.6660 3.6660 3.6667 3.6667 3.6685 3.6685 3.6688 3.6688 6.5321 6.5321 6.5324 6.5324 6.5341 6.5341 6.5346 6.5346 16.9116 16.9116 16.9117 16.9117 16.9121 16.9121 16.9121 16.9121 k = 0.5000 0.0325 0.2710 ( 1752 PWs) bands (ev): -6.4351 -6.4351 -6.4350 -6.4350 -6.4349 -6.4349 -6.4348 -6.4348 0.8861 0.8861 0.8861 0.8861 0.8870 0.8870 0.8872 0.8872 3.6866 3.6866 3.6875 3.6875 3.6891 3.6891 3.6895 3.6895 6.5330 6.5330 6.5333 6.5333 6.5350 6.5350 6.5357 6.5357 16.9101 16.9101 16.9101 16.9101 16.9106 16.9106 16.9106 16.9106 k = 0.5000 0.0406 0.2710 ( 1752 PWs) bands (ev): -6.4332 -6.4332 -6.4331 -6.4331 -6.4330 -6.4330 -6.4329 -6.4329 0.8637 0.8637 0.8637 0.8637 0.8646 0.8646 0.8648 0.8648 3.7125 3.7125 3.7137 3.7137 3.7150 3.7150 3.7156 3.7156 6.5342 6.5342 6.5345 6.5345 6.5360 6.5360 6.5369 6.5369 16.9084 16.9084 16.9084 16.9084 16.9089 16.9089 16.9089 16.9089 k = 0.5000 0.0488 0.2710 ( 1756 PWs) bands (ev): -6.4309 -6.4309 -6.4308 -6.4308 -6.4307 -6.4307 -6.4306 -6.4306 0.8372 0.8372 0.8372 0.8372 0.8380 0.8380 0.8383 0.8383 3.7434 3.7434 3.7447 3.7447 3.7459 3.7459 3.7465 3.7465 6.5355 6.5355 6.5360 6.5360 6.5373 6.5373 6.5384 6.5384 16.9067 16.9067 16.9067 16.9067 16.9071 16.9071 16.9072 16.9072 k = 0.5000 0.0569 0.2710 ( 1760 PWs) bands (ev): -6.4282 -6.4282 -6.4282 -6.4282 -6.4280 -6.4280 -6.4280 -6.4280 0.8069 0.8069 0.8070 0.8070 0.8077 0.8077 0.8080 0.8080 3.7786 3.7786 3.7801 3.7801 3.7811 3.7811 3.7819 3.7819 6.5371 6.5371 6.5376 6.5376 6.5389 6.5389 6.5401 6.5401 16.9051 16.9051 16.9051 16.9051 16.9055 16.9055 16.9056 16.9056 k = 0.5000 0.0650 0.2710 ( 1764 PWs) bands (ev): -6.4252 -6.4252 -6.4251 -6.4251 -6.4250 -6.4250 -6.4249 -6.4249 0.7734 0.7734 0.7735 0.7735 0.7742 0.7742 0.7745 0.7745 3.8178 3.8178 3.8195 3.8195 3.8203 3.8203 3.8212 3.8212 6.5389 6.5389 6.5395 6.5395 6.5406 6.5406 6.5420 6.5420 16.9039 16.9039 16.9039 16.9039 16.9044 16.9044 16.9044 16.9044 k = 0.5000 0.0731 0.2710 ( 1764 PWs) bands (ev): -6.4218 -6.4218 -6.4217 -6.4217 -6.4216 -6.4216 -6.4215 -6.4215 0.7371 0.7371 0.7372 0.7372 0.7378 0.7378 0.7382 0.7382 3.8605 3.8605 3.8624 3.8624 3.8630 3.8630 3.8640 3.8640 6.5409 6.5409 6.5416 6.5416 6.5425 6.5425 6.5441 6.5441 16.9033 16.9033 16.9033 16.9033 16.9038 16.9038 16.9038 16.9038 k = 0.5000 0.0813 0.2710 ( 1756 PWs) bands (ev): -6.4181 -6.4181 -6.4180 -6.4180 -6.4179 -6.4179 -6.4178 -6.4178 0.6985 0.6985 0.6986 0.6986 0.6992 0.6992 0.6995 0.6995 3.9061 3.9061 3.9082 3.9082 3.9087 3.9087 3.9098 3.9098 6.5431 6.5431 6.5439 6.5439 6.5447 6.5447 6.5464 6.5464 16.9036 16.9036 16.9036 16.9036 16.9041 16.9041 16.9042 16.9042 k = 0.5000 0.0894 0.2710 ( 1760 PWs) bands (ev): -6.4141 -6.4141 -6.4140 -6.4140 -6.4139 -6.4139 -6.4138 -6.4138 0.6580 0.6580 0.6580 0.6580 0.6586 0.6586 0.6590 0.6590 3.9542 3.9542 3.9565 3.9565 3.9567 3.9567 3.9579 3.9579 6.5454 6.5454 6.5463 6.5463 6.5470 6.5470 6.5489 6.5489 16.9050 16.9050 16.9051 16.9051 16.9055 16.9055 16.9056 16.9056 k = 0.5000 0.0975 0.2710 ( 1764 PWs) bands (ev): -6.4098 -6.4098 -6.4097 -6.4097 -6.4096 -6.4096 -6.4095 -6.4095 0.6160 0.6160 0.6160 0.6160 0.6166 0.6166 0.6169 0.6169 4.0043 4.0043 4.0067 4.0067 4.0068 4.0068 4.0081 4.0081 6.5479 6.5479 6.5489 6.5489 6.5494 6.5494 6.5515 6.5515 16.9078 16.9078 16.9078 16.9078 16.9083 16.9083 16.9084 16.9084 k = 0.5000 0.1057 0.2710 ( 1760 PWs) bands (ev): -6.4053 -6.4053 -6.4052 -6.4052 -6.4051 -6.4051 -6.4050 -6.4050 0.5729 0.5729 0.5729 0.5729 0.5734 0.5734 0.5738 0.5738 4.0559 4.0559 4.0584 4.0584 4.0585 4.0585 4.0598 4.0598 6.5505 6.5505 6.5516 6.5516 6.5519 6.5519 6.5542 6.5542 16.9123 16.9123 16.9123 16.9123 16.9128 16.9128 16.9128 16.9128 k = 0.5000 0.1138 0.2710 ( 1752 PWs) bands (ev): -6.4005 -6.4005 -6.4004 -6.4004 -6.4003 -6.4003 -6.4002 -6.4002 0.5292 0.5292 0.5292 0.5292 0.5297 0.5297 0.5300 0.5300 4.1086 4.1086 4.1111 4.1111 4.1114 4.1114 4.1126 4.1126 6.5533 6.5533 6.5545 6.5545 6.5547 6.5547 6.5571 6.5571 16.9186 16.9186 16.9186 16.9186 16.9191 16.9191 16.9192 16.9192 k = 0.5000 0.1219 0.2710 ( 1752 PWs) bands (ev): -6.3956 -6.3956 -6.3955 -6.3955 -6.3954 -6.3954 -6.3953 -6.3953 0.4851 0.4851 0.4851 0.4851 0.4855 0.4855 0.4859 0.4859 4.1619 4.1619 4.1644 4.1644 4.1649 4.1649 4.1661 4.1661 6.5561 6.5561 6.5574 6.5574 6.5574 6.5574 6.5600 6.5600 16.9271 16.9271 16.9271 16.9271 16.9276 16.9276 16.9276 16.9276 k = 0.5000 0.1300 0.2710 ( 1748 PWs) bands (ev): -6.3905 -6.3905 -6.3904 -6.3904 -6.3903 -6.3903 -6.3902 -6.3902 0.4410 0.4410 0.4410 0.4410 0.4414 0.4414 0.4417 0.4417 4.2156 4.2156 4.2180 4.2180 4.2187 4.2187 4.2198 4.2198 6.5589 6.5589 6.5602 6.5602 6.5603 6.5603 6.5629 6.5629 16.9379 16.9379 16.9380 16.9380 16.9385 16.9385 16.9385 16.9385 k = 0.5000 0.1382 0.2710 ( 1752 PWs) bands (ev): -6.3853 -6.3853 -6.3852 -6.3852 -6.3851 -6.3851 -6.3850 -6.3850 0.3972 0.3972 0.3972 0.3972 0.3976 0.3976 0.3979 0.3979 4.2691 4.2691 4.2715 4.2715 4.2724 4.2724 4.2734 4.2734 6.5617 6.5617 6.5629 6.5629 6.5633 6.5633 6.5659 6.5659 16.9514 16.9514 16.9515 16.9515 16.9519 16.9519 16.9520 16.9520 k = 0.5000 0.1463 0.2710 ( 1752 PWs) bands (ev): -6.3800 -6.3800 -6.3799 -6.3799 -6.3799 -6.3799 -6.3797 -6.3797 0.3539 0.3539 0.3540 0.3540 0.3543 0.3543 0.3546 0.3546 4.3221 4.3221 4.3245 4.3245 4.3256 4.3256 4.3266 4.3266 6.5646 6.5646 6.5657 6.5657 6.5663 6.5663 6.5688 6.5688 16.9676 16.9676 16.9677 16.9677 16.9682 16.9682 16.9682 16.9682 k = 0.5000 0.1544 0.2710 ( 1748 PWs) bands (ev): -6.3747 -6.3747 -6.3746 -6.3746 -6.3746 -6.3746 -6.3744 -6.3744 0.3116 0.3116 0.3116 0.3116 0.3119 0.3119 0.3122 0.3122 4.3745 4.3745 4.3768 4.3768 4.3781 4.3781 4.3790 4.3790 6.5674 6.5674 6.5685 6.5685 6.5692 6.5692 6.5718 6.5718 16.9868 16.9868 16.9870 16.9870 16.9874 16.9874 16.9875 16.9875 k = 0.5000 0.1625 0.2710 ( 1744 PWs) bands (ev): -6.3694 -6.3694 -6.3692 -6.3692 -6.3692 -6.3692 -6.3691 -6.3691 0.2703 0.2703 0.2703 0.2703 0.2706 0.2706 0.2709 0.2709 4.4257 4.4257 4.4280 4.4280 4.4295 4.4295 4.4304 4.4304 6.5702 6.5702 6.5712 6.5712 6.5722 6.5722 6.5747 6.5747 17.0092 17.0092 17.0094 17.0094 17.0098 17.0098 17.0099 17.0099 k = 0.5000 0.1707 0.2710 ( 1752 PWs) bands (ev): -6.3641 -6.3641 -6.3640 -6.3640 -6.3639 -6.3639 -6.3638 -6.3638 0.2303 0.2303 0.2303 0.2303 0.2306 0.2306 0.2308 0.2308 4.4755 4.4755 4.4777 4.4777 4.4795 4.4795 4.4803 4.4803 6.5729 6.5729 6.5738 6.5738 6.5750 6.5750 6.5774 6.5774 17.0348 17.0348 17.0350 17.0350 17.0354 17.0354 17.0355 17.0355 k = 0.5000 0.1788 0.2710 ( 1752 PWs) bands (ev): -6.3589 -6.3589 -6.3588 -6.3588 -6.3587 -6.3587 -6.3586 -6.3586 0.1918 0.1918 0.1918 0.1918 0.1920 0.1920 0.1923 0.1923 4.5238 4.5238 4.5259 4.5259 4.5279 4.5279 4.5286 4.5286 6.5755 6.5755 6.5764 6.5764 6.5778 6.5778 6.5801 6.5801 17.0638 17.0638 17.0640 17.0640 17.0644 17.0644 17.0645 17.0645 k = 0.5000 0.1869 0.2710 ( 1752 PWs) bands (ev): -6.3538 -6.3538 -6.3537 -6.3537 -6.3536 -6.3536 -6.3535 -6.3535 0.1549 0.1549 0.1550 0.1550 0.1552 0.1552 0.1554 0.1554 4.5701 4.5701 4.5722 4.5722 4.5743 4.5743 4.5750 4.5750 6.5781 6.5781 6.5789 6.5789 6.5804 6.5804 6.5827 6.5827 17.0962 17.0962 17.0965 17.0965 17.0968 17.0968 17.0970 17.0970 k = 0.5000 0.1950 0.2710 ( 1752 PWs) bands (ev): -6.3488 -6.3488 -6.3487 -6.3487 -6.3487 -6.3487 -6.3485 -6.3485 0.1199 0.1199 0.1200 0.1200 0.1202 0.1202 0.1204 0.1204 4.6143 4.6143 4.6163 4.6163 4.6186 4.6186 4.6193 4.6193 6.5805 6.5805 6.5812 6.5812 6.5830 6.5830 6.5852 6.5852 17.1321 17.1321 17.1324 17.1324 17.1327 17.1327 17.1328 17.1328 k = 0.5000 0.2032 0.2710 ( 1752 PWs) bands (ev): -6.3441 -6.3441 -6.3440 -6.3440 -6.3439 -6.3439 -6.3438 -6.3438 0.0869 0.0869 0.0870 0.0870 0.0872 0.0872 0.0874 0.0874 4.6561 4.6561 4.6580 4.6580 4.6606 4.6606 4.6612 4.6612 6.5827 6.5827 6.5834 6.5834 6.5854 6.5854 6.5875 6.5875 17.1713 17.1713 17.1717 17.1717 17.1719 17.1719 17.1721 17.1721 k = 0.5000 0.2113 0.2710 ( 1756 PWs) bands (ev): -6.3395 -6.3395 -6.3394 -6.3394 -6.3393 -6.3393 -6.3392 -6.3392 0.0561 0.0561 0.0561 0.0561 0.0563 0.0563 0.0565 0.0565 4.6954 4.6954 4.6972 4.6972 4.7000 4.7000 4.7005 4.7005 6.5848 6.5848 6.5855 6.5855 6.5877 6.5877 6.5897 6.5897 17.2139 17.2139 17.2143 17.2143 17.2145 17.2145 17.2147 17.2147 k = 0.5000 0.2194 0.2710 ( 1752 PWs) bands (ev): -6.3353 -6.3353 -6.3352 -6.3352 -6.3351 -6.3351 -6.3350 -6.3350 0.0275 0.0275 0.0275 0.0275 0.0277 0.0277 0.0278 0.0278 4.7320 4.7320 4.7337 4.7337 4.7366 4.7366 4.7371 4.7371 6.5868 6.5868 6.5874 6.5874 6.5898 6.5898 6.5917 6.5917 17.2596 17.2596 17.2600 17.2600 17.2602 17.2602 17.2604 17.2604 k = 0.5000 0.2276 0.2710 ( 1752 PWs) bands (ev): -6.3313 -6.3313 -6.3312 -6.3312 -6.3311 -6.3311 -6.3310 -6.3310 0.0013 0.0013 0.0013 0.0013 0.0015 0.0015 0.0016 0.0016 4.7656 4.7656 4.7671 4.7671 4.7703 4.7703 4.7708 4.7708 6.5886 6.5886 6.5891 6.5891 6.5917 6.5917 6.5935 6.5935 17.3081 17.3081 17.3086 17.3086 17.3087 17.3087 17.3090 17.3090 k = 0.5000 0.2357 0.2710 ( 1756 PWs) bands (ev): -6.3276 -6.3276 -6.3276 -6.3276 -6.3274 -6.3274 -6.3273 -6.3273 -0.0224 -0.0224 -0.0224 -0.0224 -0.0223 -0.0223 -0.0221 -0.0221 4.7961 4.7961 4.7975 4.7975 4.8009 4.8009 4.8013 4.8013 6.5902 6.5902 6.5907 6.5907 6.5935 6.5935 6.5951 6.5951 17.3590 17.3590 17.3595 17.3595 17.3595 17.3595 17.3598 17.3598 k = 0.5000 0.2438 0.2710 ( 1760 PWs) bands (ev): -6.3243 -6.3243 -6.3243 -6.3243 -6.3241 -6.3241 -6.3240 -6.3240 -0.0436 -0.0436 -0.0435 -0.0435 -0.0434 -0.0434 -0.0433 -0.0433 4.8234 4.8234 4.8247 4.8247 4.8283 4.8283 4.8286 4.8286 6.5916 6.5916 6.5920 6.5920 6.5950 6.5950 6.5965 6.5965 17.4116 17.4116 17.4121 17.4121 17.4121 17.4121 17.4124 17.4124 k = 0.5000 0.2519 0.2710 ( 1756 PWs) bands (ev): -6.3214 -6.3214 -6.3214 -6.3214 -6.3212 -6.3212 -6.3211 -6.3211 -0.0620 -0.0620 -0.0620 -0.0620 -0.0619 -0.0619 -0.0618 -0.0618 4.8474 4.8474 4.8485 4.8485 4.8523 4.8523 4.8526 4.8526 6.5929 6.5929 6.5932 6.5932 6.5965 6.5965 6.5977 6.5977 17.4650 17.4650 17.4655 17.4655 17.4655 17.4655 17.4658 17.4658 k = 0.5000 0.2601 0.2710 ( 1752 PWs) bands (ev): -6.3189 -6.3189 -6.3189 -6.3189 -6.3187 -6.3187 -6.3186 -6.3186 -0.0778 -0.0778 -0.0777 -0.0777 -0.0777 -0.0777 -0.0776 -0.0776 4.8679 4.8679 4.8688 4.8688 4.8728 4.8728 4.8730 4.8730 6.5939 6.5939 6.5942 6.5942 6.5977 6.5977 6.5987 6.5987 17.5178 17.5178 17.5183 17.5183 17.5184 17.5184 17.5187 17.5187 k = 0.5000 0.2682 0.2710 ( 1756 PWs) bands (ev): -6.3168 -6.3168 -6.3168 -6.3168 -6.3166 -6.3166 -6.3166 -6.3166 -0.0907 -0.0907 -0.0907 -0.0907 -0.0906 -0.0906 -0.0906 -0.0906 4.8848 4.8848 4.8855 4.8855 4.8897 4.8897 4.8899 4.8899 6.5948 6.5948 6.5950 6.5950 6.5987 6.5987 6.5995 6.5995 17.5682 17.5682 17.5686 17.5686 17.5688 17.5688 17.5690 17.5690 k = 0.5000 0.2763 0.2710 ( 1756 PWs) bands (ev): -6.3152 -6.3152 -6.3151 -6.3151 -6.3150 -6.3150 -6.3149 -6.3149 -0.1008 -0.1008 -0.1008 -0.1008 -0.1008 -0.1008 -0.1007 -0.1007 4.8980 4.8980 4.8986 4.8986 4.9029 4.9029 4.9031 4.9031 6.5955 6.5955 6.5956 6.5956 6.5995 6.5995 6.6001 6.6001 17.6134 17.6134 17.6138 17.6138 17.6140 17.6140 17.6142 17.6142 k = 0.5000 0.2844 0.2710 ( 1752 PWs) bands (ev): -6.3140 -6.3140 -6.3140 -6.3140 -6.3138 -6.3138 -6.3137 -6.3137 -0.1081 -0.1081 -0.1081 -0.1081 -0.1081 -0.1081 -0.1080 -0.1080 4.9076 4.9076 4.9080 4.9080 4.9125 4.9125 4.9126 4.9126 6.5960 6.5960 6.5961 6.5961 6.6001 6.6001 6.6005 6.6005 17.6501 17.6501 17.6504 17.6504 17.6507 17.6507 17.6508 17.6508 k = 0.5000 0.2926 0.2710 ( 1756 PWs) bands (ev): -6.3133 -6.3133 -6.3133 -6.3133 -6.3131 -6.3131 -6.3130 -6.3130 -0.1125 -0.1125 -0.1124 -0.1124 -0.1124 -0.1124 -0.1124 -0.1124 4.9134 4.9134 4.9136 4.9136 4.9182 4.9182 4.9182 4.9182 6.5963 6.5963 6.5963 6.5963 6.6005 6.6005 6.6007 6.6007 17.6745 17.6745 17.6746 17.6746 17.6750 17.6750 17.6750 17.6750 k = 0.5000 0.3007 0.2710 ( 1752 PWs) bands (ev): -6.3130 -6.3130 -6.3130 -6.3130 -6.3128 -6.3128 -6.3128 -6.3128 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 4.9153 4.9153 4.9154 4.9154 4.9201 4.9201 4.9201 4.9201 6.5964 6.5964 6.5964 6.5964 6.6007 6.6007 6.6007 6.6007 17.6831 17.6831 17.6831 17.6831 17.6835 17.6835 17.6835 17.6835 k = 0.5000 0.3007 0.2710 ( 1752 PWs) bands (ev): -6.3130 -6.3130 -6.3130 -6.3130 -6.3128 -6.3128 -6.3128 -6.3128 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 4.9153 4.9153 4.9154 4.9154 4.9201 4.9201 4.9201 4.9201 6.5964 6.5964 6.5964 6.5964 6.6007 6.6007 6.6007 6.6007 17.6831 17.6831 17.6831 17.6831 17.6835 17.6835 17.6835 17.6835 k = 0.4918 0.3007 0.2710 ( 1756 PWs) bands (ev): -6.3769 -6.3769 -6.3769 -6.3769 -6.2514 -6.2514 -6.2514 -6.2514 -0.1659 -0.1659 -0.1659 -0.1659 -0.0568 -0.0568 -0.0568 -0.0568 4.8625 4.8625 4.8625 4.8625 4.9709 4.9709 4.9709 4.9709 6.5888 6.5888 6.5888 6.5888 6.6100 6.6100 6.6100 6.6100 17.6613 17.6613 17.6613 17.6613 17.7032 17.7032 17.7032 17.7032 k = 0.4836 0.3007 0.2710 ( 1756 PWs) bands (ev): -6.4429 -6.4429 -6.4429 -6.4429 -6.1925 -6.1925 -6.1925 -6.1925 -0.2124 -0.2124 -0.2124 -0.2124 0.0052 0.0052 0.0052 0.0052 4.8057 4.8057 4.8057 4.8057 5.0214 5.0214 5.0214 5.0214 6.5816 6.5816 6.5816 6.5816 6.6226 6.6226 6.6226 6.6226 17.6390 17.6390 17.6390 17.6390 17.7187 17.7187 17.7187 17.7187 k = 0.4754 0.3007 0.2710 ( 1752 PWs) bands (ev): -6.5108 -6.5108 -6.5108 -6.5108 -6.1365 -6.1365 -6.1365 -6.1365 -0.2531 -0.2531 -0.2531 -0.2531 0.0716 0.0716 0.0716 0.0716 4.7478 4.7478 4.7478 4.7478 5.0689 5.0689 5.0689 5.0689 6.5768 6.5768 6.5768 6.5768 6.6363 6.6363 6.6363 6.6363 17.6175 17.6175 17.6175 17.6175 17.7270 17.7270 17.7270 17.7270 k = 0.4672 0.3007 0.2710 ( 1748 PWs) bands (ev): -6.5804 -6.5804 -6.5804 -6.5804 -6.0836 -6.0836 -6.0836 -6.0836 -0.2878 -0.2878 -0.2878 -0.2878 0.1422 0.1422 0.1422 0.1422 4.6890 4.6890 4.6890 4.6890 5.1129 5.1129 5.1129 5.1129 6.5751 6.5751 6.5751 6.5751 6.6507 6.6507 6.6507 6.6507 17.5977 17.5977 17.5977 17.5977 17.7253 17.7253 17.7253 17.7253 k = 0.4590 0.3007 0.2710 ( 1748 PWs) bands (ev): -6.6513 -6.6513 -6.6513 -6.6513 -6.0342 -6.0342 -6.0342 -6.0342 -0.3161 -0.3161 -0.3161 -0.3161 0.2165 0.2165 0.2165 0.2165 4.6299 4.6299 4.6299 4.6299 5.1529 5.1529 5.1529 5.1529 6.5767 6.5767 6.5767 6.5767 6.6657 6.6657 6.6657 6.6657 17.5803 17.5803 17.5803 17.5803 17.7113 17.7113 17.7113 17.7113 k = 0.4508 0.3007 0.2710 ( 1748 PWs) bands (ev): -6.7233 -6.7233 -6.7233 -6.7233 -5.9883 -5.9883 -5.9883 -5.9883 -0.3378 -0.3378 -0.3378 -0.3378 0.2942 0.2942 0.2942 0.2942 4.5708 4.5708 4.5708 4.5708 5.1884 5.1884 5.1884 5.1884 6.5822 6.5822 6.5822 6.5822 6.6809 6.6809 6.6809 6.6809 17.5657 17.5657 17.5657 17.5657 17.6847 17.6847 17.6847 17.6847 k = 0.4426 0.3007 0.2710 ( 1752 PWs) bands (ev): -6.7964 -6.7964 -6.7964 -6.7964 -5.9463 -5.9463 -5.9463 -5.9463 -0.3527 -0.3527 -0.3527 -0.3527 0.3749 0.3749 0.3749 0.3749 4.5121 4.5121 4.5121 4.5121 5.2190 5.2190 5.2190 5.2190 6.5917 6.5917 6.5917 6.5917 6.6961 6.6961 6.6961 6.6961 17.5543 17.5543 17.5543 17.5543 17.6468 17.6468 17.6468 17.6468 k = 0.4344 0.3007 0.2710 ( 1760 PWs) bands (ev): -6.8701 -6.8701 -6.8701 -6.8701 -5.9083 -5.9083 -5.9083 -5.9083 -0.3607 -0.3607 -0.3607 -0.3607 0.4583 0.4583 0.4583 0.4583 4.4540 4.4540 4.4540 4.4540 5.2445 5.2445 5.2445 5.2445 6.6057 6.6057 6.6057 6.6057 6.7113 6.7113 6.7113 6.7113 17.5463 17.5463 17.5463 17.5463 17.5999 17.5999 17.5999 17.5999 k = 0.4262 0.3007 0.2710 ( 1760 PWs) bands (ev): -6.9444 -6.9444 -6.9444 -6.9444 -5.8744 -5.8744 -5.8744 -5.8744 -0.3614 -0.3614 -0.3614 -0.3614 0.5440 0.5440 0.5440 0.5440 4.3971 4.3971 4.3971 4.3971 5.2647 5.2647 5.2647 5.2647 6.6241 6.6241 6.6241 6.6241 6.7263 6.7263 6.7263 6.7263 17.5418 17.5418 17.5418 17.5418 17.5469 17.5469 17.5469 17.5469 k = 0.4180 0.3007 0.2710 ( 1756 PWs) bands (ev): -7.0190 -7.0190 -7.0190 -7.0190 -5.8448 -5.8448 -5.8448 -5.8448 -0.3549 -0.3549 -0.3549 -0.3549 0.6315 0.6315 0.6315 0.6315 4.3416 4.3416 4.3416 4.3416 5.2797 5.2797 5.2797 5.2797 6.6471 6.6471 6.6471 6.6471 6.7409 6.7409 6.7409 6.7409 17.4895 17.4895 17.4895 17.4895 17.5412 17.5412 17.5412 17.5412 k = 0.4098 0.3007 0.2710 ( 1756 PWs) bands (ev): -7.0939 -7.0939 -7.0939 -7.0939 -5.8195 -5.8195 -5.8195 -5.8195 -0.3411 -0.3411 -0.3411 -0.3411 0.7204 0.7204 0.7204 0.7204 4.2880 4.2880 4.2880 4.2880 5.2895 5.2895 5.2895 5.2895 6.6743 6.6743 6.6743 6.6743 6.7550 6.7550 6.7550 6.7550 17.4297 17.4297 17.4297 17.4297 17.5444 17.5444 17.5444 17.5444 k = 0.4016 0.3007 0.2710 ( 1752 PWs) bands (ev): -7.1687 -7.1687 -7.1687 -7.1687 -5.7985 -5.7985 -5.7985 -5.7985 -0.3199 -0.3199 -0.3199 -0.3199 0.8102 0.8102 0.8102 0.8102 4.2367 4.2367 4.2367 4.2367 5.2944 5.2944 5.2944 5.2944 6.7056 6.7056 6.7056 6.7056 6.7687 6.7687 6.7687 6.7687 17.3686 17.3686 17.3686 17.3686 17.5515 17.5515 17.5515 17.5515 k = 0.3934 0.3007 0.2710 ( 1748 PWs) bands (ev): -7.2434 -7.2434 -7.2434 -7.2434 -5.7819 -5.7819 -5.7819 -5.7819 -0.2914 -0.2914 -0.2914 -0.2914 0.9004 0.9004 0.9004 0.9004 4.1880 4.1880 4.1880 4.1880 5.2947 5.2947 5.2947 5.2947 6.7406 6.7406 6.7406 6.7406 6.7817 6.7817 6.7817 6.7817 17.3070 17.3070 17.3070 17.3070 17.5625 17.5625 17.5625 17.5625 k = 0.3852 0.3007 0.2710 ( 1748 PWs) bands (ev): -7.3179 -7.3179 -7.3179 -7.3179 -5.7695 -5.7695 -5.7695 -5.7695 -0.2557 -0.2557 -0.2557 -0.2557 0.9905 0.9905 0.9905 0.9905 4.1425 4.1425 4.1425 4.1425 5.2908 5.2908 5.2908 5.2908 6.7785 6.7785 6.7785 6.7785 6.7943 6.7943 6.7943 6.7943 17.2456 17.2456 17.2456 17.2456 17.5775 17.5775 17.5775 17.5775 k = 0.3770 0.3007 0.2710 ( 1748 PWs) bands (ev): -7.3920 -7.3920 -7.3920 -7.3920 -5.7613 -5.7613 -5.7613 -5.7613 -0.2130 -0.2130 -0.2130 -0.2130 1.0798 1.0798 1.0798 1.0798 4.1007 4.1007 4.1007 4.1007 5.2832 5.2832 5.2832 5.2832 6.8052 6.8052 6.8052 6.8052 6.8203 6.8203 6.8203 6.8203 17.1847 17.1847 17.1847 17.1847 17.5964 17.5964 17.5964 17.5964 k = 0.3689 0.3007 0.2710 ( 1740 PWs) bands (ev): -7.4655 -7.4655 -7.4655 -7.4655 -5.7572 -5.7572 -5.7572 -5.7572 -0.1634 -0.1634 -0.1634 -0.1634 1.1678 1.1678 1.1678 1.1678 4.0632 4.0632 4.0632 4.0632 5.2723 5.2723 5.2723 5.2723 6.8165 6.8165 6.8165 6.8165 6.8634 6.8634 6.8634 6.8634 17.1248 17.1248 17.1248 17.1248 17.6193 17.6193 17.6193 17.6193 k = 0.3607 0.3007 0.2710 ( 1736 PWs) bands (ev): -7.5385 -7.5385 -7.5385 -7.5385 -5.7569 -5.7569 -5.7569 -5.7569 -0.1071 -0.1071 -0.1071 -0.1071 1.2536 1.2536 1.2536 1.2536 4.0304 4.0304 4.0304 4.0304 5.2586 5.2586 5.2586 5.2586 6.8269 6.8269 6.8269 6.8269 6.9085 6.9085 6.9085 6.9085 17.0661 17.0661 17.0661 17.0661 17.6461 17.6461 17.6461 17.6461 k = 0.3525 0.3007 0.2710 ( 1736 PWs) bands (ev): -7.6107 -7.6107 -7.6107 -7.6107 -5.7602 -5.7602 -5.7602 -5.7602 -0.0444 -0.0444 -0.0444 -0.0444 1.3366 1.3366 1.3366 1.3366 4.0032 4.0032 4.0032 4.0032 5.2425 5.2425 5.2425 5.2425 6.8366 6.8366 6.8366 6.8366 6.9550 6.9550 6.9550 6.9550 17.0085 17.0085 17.0086 17.0086 17.6768 17.6768 17.6768 17.6768 k = 0.3443 0.3007 0.2710 ( 1736 PWs) bands (ev): -7.6821 -7.6821 -7.6821 -7.6821 -5.7670 -5.7670 -5.7670 -5.7670 0.0244 0.0244 0.0244 0.0244 1.4160 1.4160 1.4160 1.4160 3.9821 3.9821 3.9821 3.9821 5.2244 5.2244 5.2244 5.2244 6.8456 6.8456 6.8456 6.8456 7.0026 7.0026 7.0026 7.0026 16.9524 16.9524 16.9524 16.9524 17.7111 17.7111 17.7111 17.7111 k = 0.3361 0.3007 0.2710 ( 1744 PWs) bands (ev): -7.7527 -7.7527 -7.7527 -7.7527 -5.7771 -5.7771 -5.7771 -5.7771 0.0991 0.0991 0.0991 0.0991 1.4909 1.4909 1.4909 1.4909 3.9680 3.9680 3.9680 3.9680 5.2046 5.2046 5.2046 5.2046 6.8540 6.8540 6.8540 6.8540 7.0507 7.0507 7.0507 7.0507 16.8978 16.8978 16.8978 16.8978 17.7492 17.7492 17.7492 17.7492 k = 0.3279 0.3007 0.2710 ( 1744 PWs) bands (ev): -7.8222 -7.8222 -7.8222 -7.8222 -5.7900 -5.7900 -5.7900 -5.7900 0.1792 0.1792 0.1792 0.1792 1.5604 1.5604 1.5604 1.5604 3.9614 3.9614 3.9614 3.9614 5.1836 5.1836 5.1836 5.1836 6.8619 6.8619 6.8619 6.8619 7.0992 7.0992 7.0992 7.0992 16.8446 16.8446 16.8446 16.8446 17.7908 17.7908 17.7908 17.7908 k = 0.3197 0.3007 0.2710 ( 1744 PWs) bands (ev): -7.8907 -7.8907 -7.8907 -7.8907 -5.8057 -5.8057 -5.8057 -5.8057 0.2645 0.2645 0.2645 0.2645 1.6239 1.6239 1.6239 1.6239 3.9632 3.9632 3.9632 3.9632 5.1616 5.1616 5.1616 5.1616 6.8693 6.8693 6.8693 6.8693 7.1476 7.1476 7.1476 7.1476 16.7930 16.7930 16.7930 16.7930 17.8358 17.8358 17.8358 17.8358 k = 0.3115 0.3007 0.2710 ( 1744 PWs) bands (ev): -7.9580 -7.9580 -7.9580 -7.9580 -5.8238 -5.8238 -5.8238 -5.8238 0.3545 0.3545 0.3545 0.3545 1.6806 1.6806 1.6806 1.6806 3.9737 3.9737 3.9737 3.9737 5.1390 5.1390 5.1390 5.1390 6.8763 6.8763 6.8763 6.8763 7.1958 7.1958 7.1958 7.1958 16.7429 16.7429 16.7429 16.7429 17.8841 17.8841 17.8841 17.8841 k = 0.3033 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.0241 -8.0241 -8.0241 -8.0241 -5.8441 -5.8441 -5.8441 -5.8441 0.4490 0.4490 0.4490 0.4490 1.7300 1.7300 1.7300 1.7300 3.9934 3.9934 3.9934 3.9934 5.1159 5.1159 5.1159 5.1159 6.8830 6.8830 6.8830 6.8830 7.2434 7.2434 7.2434 7.2434 16.6942 16.6942 16.6942 16.6942 17.9356 17.9356 17.9356 17.9356 k = 0.2951 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.0890 -8.0890 -8.0890 -8.0890 -5.8663 -5.8663 -5.8663 -5.8663 0.5474 0.5474 0.5474 0.5474 1.7716 1.7716 1.7716 1.7716 4.0225 4.0225 4.0225 4.0225 5.0927 5.0927 5.0927 5.0927 6.8894 6.8894 6.8894 6.8894 7.2904 7.2904 7.2904 7.2904 16.6469 16.6469 16.6469 16.6469 17.9899 17.9899 17.9899 17.9899 k = 0.2869 0.3007 0.2710 ( 1744 PWs) bands (ev): -8.1526 -8.1526 -8.1526 -8.1526 -5.8902 -5.8902 -5.8902 -5.8902 0.6495 0.6495 0.6495 0.6495 1.8055 1.8055 1.8055 1.8055 4.0609 4.0609 4.0609 4.0609 5.0695 5.0695 5.0695 5.0695 6.8957 6.8957 6.8957 6.8957 7.3364 7.3364 7.3364 7.3364 16.6011 16.6011 16.6011 16.6011 18.0469 18.0469 18.0469 18.0469 k = 0.2787 0.3007 0.2710 ( 1744 PWs) bands (ev): -8.2148 -8.2148 -8.2148 -8.2148 -5.9155 -5.9155 -5.9155 -5.9155 0.7549 0.7549 0.7549 0.7549 1.8316 1.8316 1.8316 1.8316 4.1083 4.1083 4.1083 4.1083 5.0465 5.0465 5.0465 5.0465 6.9021 6.9021 6.9021 6.9021 7.3814 7.3814 7.3814 7.3814 16.5564 16.5564 16.5564 16.5564 18.1064 18.1064 18.1064 18.1064 k = 0.2705 0.3007 0.2710 ( 1752 PWs) bands (ev): -8.2756 -8.2756 -8.2756 -8.2756 -5.9420 -5.9420 -5.9420 -5.9420 0.8631 0.8631 0.8631 0.8631 1.8504 1.8504 1.8504 1.8504 4.1642 4.1642 4.1642 4.1642 5.0239 5.0239 5.0239 5.0239 6.9085 6.9085 6.9085 6.9085 7.4252 7.4252 7.4252 7.4252 16.5130 16.5130 16.5130 16.5130 18.1680 18.1680 18.1680 18.1680 k = 0.2623 0.3007 0.2710 ( 1744 PWs) bands (ev): -8.3349 -8.3349 -8.3349 -8.3349 -5.9695 -5.9695 -5.9695 -5.9695 0.9738 0.9738 0.9738 0.9738 1.8623 1.8623 1.8623 1.8623 4.2278 4.2278 4.2278 4.2278 5.0020 5.0020 5.0020 5.0020 6.9154 6.9154 6.9154 6.9154 7.4678 7.4678 7.4678 7.4678 16.4706 16.4706 16.4706 16.4706 18.2315 18.2315 18.2315 18.2315 k = 0.2541 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.3928 -8.3928 -8.3928 -8.3928 -5.9978 -5.9978 -5.9978 -5.9978 1.0865 1.0865 1.0865 1.0865 1.8679 1.8679 1.8679 1.8679 4.2983 4.2983 4.2983 4.2983 4.9809 4.9809 4.9809 4.9809 6.9227 6.9227 6.9227 6.9227 7.5090 7.5090 7.5090 7.5090 16.4292 16.4292 16.4292 16.4292 18.2965 18.2965 18.2965 18.2965 k = 0.2459 0.3007 0.2710 ( 1744 PWs) bands (ev): -8.4491 -8.4491 -8.4491 -8.4491 -6.0267 -6.0267 -6.0267 -6.0267 1.2008 1.2008 1.2008 1.2008 1.8680 1.8680 1.8680 1.8680 4.3746 4.3746 4.3746 4.3746 4.9608 4.9608 4.9608 4.9608 6.9305 6.9305 6.9305 6.9305 7.5486 7.5486 7.5486 7.5486 16.3886 16.3886 16.3886 16.3886 18.3626 18.3626 18.3626 18.3626 k = 0.2377 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.5038 -8.5038 -8.5038 -8.5038 -6.0559 -6.0559 -6.0559 -6.0559 1.3164 1.3164 1.3164 1.3164 1.8633 1.8633 1.8633 1.8633 4.4557 4.4557 4.4557 4.4557 4.9418 4.9418 4.9418 4.9418 6.9394 6.9394 6.9394 6.9394 7.5868 7.5868 7.5868 7.5868 16.3486 16.3486 16.3486 16.3486 18.4293 18.4293 18.4293 18.4293 k = 0.2295 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.5569 -8.5569 -8.5569 -8.5569 -6.0854 -6.0854 -6.0854 -6.0854 1.4327 1.4327 1.4327 1.4327 1.8546 1.8546 1.8546 1.8546 4.5405 4.5405 4.5405 4.5405 4.9241 4.9241 4.9241 4.9241 6.9492 6.9492 6.9492 6.9492 7.6233 7.6233 7.6233 7.6233 16.3092 16.3092 16.3092 16.3092 18.4959 18.4959 18.4959 18.4959 k = 0.2213 0.3007 0.2710 ( 1728 PWs) bands (ev): -8.6084 -8.6084 -8.6084 -8.6084 -6.1149 -6.1149 -6.1149 -6.1149 1.5495 1.5495 1.5495 1.5495 1.8425 1.8425 1.8425 1.8425 4.6281 4.6281 4.6281 4.6281 4.9080 4.9080 4.9080 4.9080 6.9603 6.9603 6.9603 6.9603 7.6583 7.6583 7.6583 7.6583 16.2701 16.2701 16.2701 16.2701 18.5619 18.5619 18.5619 18.5619 k = 0.2131 0.3007 0.2710 ( 1728 PWs) bands (ev): -8.6582 -8.6582 -8.6582 -8.6582 -6.1444 -6.1444 -6.1444 -6.1444 1.6660 1.6660 1.6660 1.6660 1.8276 1.8276 1.8276 1.8276 4.7172 4.7172 4.7172 4.7172 4.8935 4.8935 4.8935 4.8935 6.9729 6.9729 6.9729 6.9729 7.6915 7.6915 7.6915 7.6915 16.2312 16.2312 16.2312 16.2312 18.6264 18.6264 18.6264 18.6264 k = 0.2049 0.3007 0.2710 ( 1732 PWs) bands (ev): -8.7063 -8.7063 -8.7063 -8.7063 -6.1736 -6.1736 -6.1736 -6.1736 1.7819 1.7819 1.7819 1.7819 1.8105 1.8105 1.8105 1.8105 4.8071 4.8071 4.8071 4.8071 4.8810 4.8810 4.8810 4.8810 6.9873 6.9873 6.9873 6.9873 7.7231 7.7231 7.7231 7.7231 16.1922 16.1922 16.1922 16.1922 18.6886 18.6886 18.6886 18.6886 k = 0.1967 0.3007 0.2710 ( 1732 PWs) bands (ev): -8.7527 -8.7527 -8.7527 -8.7527 -6.2025 -6.2025 -6.2025 -6.2025 1.7916 1.7916 1.7916 1.7916 1.8970 1.8970 1.8970 1.8970 4.8699 4.8699 4.8699 4.8699 4.8973 4.8973 4.8973 4.8973 7.0037 7.0037 7.0037 7.0037 7.7529 7.7529 7.7529 7.7529 16.1531 16.1531 16.1531 16.1531 18.7474 18.7474 18.7474 18.7474 k = 0.1885 0.3007 0.2710 ( 1732 PWs) bands (ev): -8.7974 -8.7974 -8.7974 -8.7974 -6.2309 -6.2309 -6.2309 -6.2309 1.7716 1.7716 1.7716 1.7716 2.0103 2.0103 2.0103 2.0103 4.8618 4.8618 4.8618 4.8618 4.9856 4.9856 4.9856 4.9856 7.0224 7.0224 7.0224 7.0224 7.7810 7.7810 7.7810 7.7810 16.1137 16.1137 16.1137 16.1137 18.8015 18.8015 18.8015 18.8015 k = 0.1803 0.3007 0.2710 ( 1736 PWs) bands (ev): -8.8403 -8.8403 -8.8403 -8.8403 -6.2588 -6.2588 -6.2588 -6.2588 1.7507 1.7507 1.7507 1.7507 2.1216 2.1216 2.1216 2.1216 4.8559 4.8559 4.8559 4.8559 5.0722 5.0722 5.0722 5.0722 7.0436 7.0436 7.0436 7.0436 7.8074 7.8074 7.8074 7.8074 16.0737 16.0737 16.0737 16.0737 18.8496 18.8496 18.8496 18.8496 k = 0.1721 0.3007 0.2710 ( 1736 PWs) bands (ev): -8.8814 -8.8814 -8.8814 -8.8814 -6.2860 -6.2860 -6.2860 -6.2860 1.7292 1.7292 1.7292 1.7292 2.2303 2.2303 2.2303 2.2303 4.8526 4.8526 4.8526 4.8526 5.1561 5.1561 5.1561 5.1561 7.0676 7.0676 7.0676 7.0676 7.8321 7.8321 7.8321 7.8321 16.0330 16.0330 16.0330 16.0330 18.8905 18.8905 18.8905 18.8905 k = 0.1639 0.3007 0.2710 ( 1736 PWs) bands (ev): -8.9207 -8.9207 -8.9207 -8.9207 -6.3125 -6.3125 -6.3125 -6.3125 1.7075 1.7075 1.7075 1.7075 2.3358 2.3358 2.3358 2.3358 4.8521 4.8521 4.8521 4.8521 5.2366 5.2366 5.2366 5.2366 7.0944 7.0944 7.0944 7.0944 7.8551 7.8551 7.8551 7.8551 15.9916 15.9916 15.9916 15.9916 18.9226 18.9226 18.9226 18.9226 k = 0.1557 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.9582 -8.9582 -8.9582 -8.9582 -6.3381 -6.3381 -6.3381 -6.3381 1.6858 1.6858 1.6858 1.6858 2.4377 2.4377 2.4377 2.4377 4.8544 4.8544 4.8544 4.8544 5.3131 5.3131 5.3131 5.3131 7.1243 7.1243 7.1243 7.1243 7.8764 7.8764 7.8764 7.8764 15.9493 15.9493 15.9493 15.9493 18.9450 18.9450 18.9450 18.9450 k = 0.1475 0.3007 0.2710 ( 1740 PWs) bands (ev): -8.9939 -8.9939 -8.9939 -8.9939 -6.3628 -6.3628 -6.3628 -6.3628 1.6644 1.6644 1.6644 1.6644 2.5354 2.5354 2.5354 2.5354 4.8599 4.8599 4.8599 4.8599 5.3851 5.3851 5.3851 5.3851 7.1572 7.1572 7.1572 7.1572 7.8961 7.8961 7.8961 7.8961 15.9060 15.9060 15.9060 15.9060 18.9569 18.9569 18.9569 18.9569 k = 0.1393 0.3007 0.2710 ( 1736 PWs) bands (ev): -9.0277 -9.0277 -9.0277 -9.0277 -6.3865 -6.3865 -6.3865 -6.3865 1.6433 1.6433 1.6433 1.6433 2.6284 2.6284 2.6284 2.6284 4.8685 4.8685 4.8685 4.8685 5.4522 5.4522 5.4522 5.4522 7.1930 7.1930 7.1930 7.1930 7.9141 7.9141 7.9141 7.9141 15.8617 15.8617 15.8617 15.8617 18.9581 18.9581 18.9581 18.9581 k = 0.1311 0.3007 0.2710 ( 1740 PWs) bands (ev): -9.0596 -9.0596 -9.0596 -9.0596 -6.4091 -6.4091 -6.4091 -6.4091 1.6228 1.6228 1.6228 1.6228 2.7162 2.7162 2.7162 2.7162 4.8803 4.8803 4.8803 4.8803 5.5139 5.5139 5.5139 5.5139 7.2316 7.2316 7.2316 7.2316 7.9306 7.9306 7.9306 7.9306 15.8165 15.8165 15.8165 15.8165 18.9491 18.9491 18.9491 18.9491 k = 0.1230 0.3007 0.2710 ( 1740 PWs) bands (ev): -9.0897 -9.0897 -9.0897 -9.0897 -6.4307 -6.4307 -6.4307 -6.4307 1.6030 1.6030 1.6030 1.6030 2.7985 2.7985 2.7985 2.7985 4.8952 4.8952 4.8952 4.8952 5.5703 5.5703 5.5703 5.5703 7.2727 7.2727 7.2727 7.2727 7.9456 7.9456 7.9456 7.9456 15.7706 15.7706 15.7706 15.7706 18.9308 18.9308 18.9308 18.9308 k = 0.1148 0.3007 0.2710 ( 1736 PWs) bands (ev): -9.1179 -9.1179 -9.1179 -9.1179 -6.4510 -6.4510 -6.4510 -6.4510 1.5840 1.5840 1.5840 1.5840 2.8749 2.8749 2.8749 2.8749 4.9131 4.9131 4.9131 4.9131 5.6213 5.6213 5.6213 5.6213 7.3159 7.3159 7.3159 7.3159 7.9591 7.9591 7.9591 7.9591 15.7240 15.7240 15.7240 15.7240 18.9045 18.9045 18.9045 18.9045 k = 0.1066 0.3007 0.2710 ( 1740 PWs) bands (ev): -9.1441 -9.1441 -9.1441 -9.1441 -6.4702 -6.4702 -6.4702 -6.4702 1.5660 1.5660 1.5660 1.5660 2.9452 2.9452 2.9452 2.9452 4.9338 4.9338 4.9338 4.9338 5.6670 5.6670 5.6670 5.6670 7.3604 7.3604 7.3604 7.3604 7.9712 7.9712 7.9712 7.9712 15.6772 15.6772 15.6772 15.6772 18.8079 18.8079 18.8079 18.8079 k = 0.0984 0.3007 0.2710 ( 1748 PWs) bands (ev): -9.1685 -9.1685 -9.1685 -9.1685 -6.4881 -6.4881 -6.4881 -6.4881 1.5490 1.5490 1.5490 1.5490 3.0092 3.0092 3.0092 3.0092 4.9568 4.9568 4.9568 4.9568 5.7075 5.7075 5.7075 5.7075 7.4057 7.4057 7.4057 7.4057 7.9818 7.9818 7.9818 7.9818 15.6304 15.6304 15.6304 15.6304 18.7028 18.7028 18.7028 18.7028 k = 0.0902 0.3007 0.2710 ( 1752 PWs) bands (ev): -9.1910 -9.1910 -9.1910 -9.1910 -6.5047 -6.5047 -6.5047 -6.5047 1.5331 1.5331 1.5331 1.5331 3.0669 3.0669 3.0669 3.0669 4.9817 4.9817 4.9817 4.9817 5.7432 5.7432 5.7432 5.7432 7.4511 7.4511 7.4511 7.4511 7.9913 7.9913 7.9913 7.9913 15.5842 15.5842 15.5842 15.5842 18.6069 18.6069 18.6069 18.6069 k = 0.0820 0.3007 0.2710 ( 1740 PWs) bands (ev): -9.2115 -9.2115 -9.2115 -9.2115 -6.5200 -6.5200 -6.5200 -6.5200 1.5184 1.5184 1.5184 1.5184 3.1183 3.1183 3.1183 3.1183 5.0081 5.0081 5.0081 5.0081 5.7743 5.7743 5.7743 5.7743 7.4959 7.4959 7.4959 7.4959 7.9995 7.9995 7.9995 7.9995 15.5390 15.5390 15.5390 15.5390 18.5203 18.5203 18.5203 18.5203 k = 0.0738 0.3007 0.2710 ( 1744 PWs) bands (ev): -9.2301 -9.2301 -9.2301 -9.2301 -6.5339 -6.5339 -6.5339 -6.5339 1.5049 1.5049 1.5049 1.5049 3.1637 3.1637 3.1637 3.1637 5.0351 5.0351 5.0351 5.0351 5.8012 5.8012 5.8012 5.8012 7.5391 7.5391 7.5391 7.5391 8.0066 8.0066 8.0066 8.0066 15.4955 15.4955 15.4955 15.4955 18.4428 18.4428 18.4428 18.4428 k = 0.0656 0.3007 0.2710 ( 1744 PWs) bands (ev): -9.2467 -9.2467 -9.2467 -9.2467 -6.5464 -6.5464 -6.5464 -6.5464 1.4927 1.4927 1.4927 1.4927 3.2031 3.2031 3.2031 3.2031 5.0621 5.0621 5.0621 5.0621 5.8242 5.8242 5.8242 5.8242 7.5801 7.5801 7.5801 7.5801 8.0127 8.0127 8.0127 8.0127 15.4542 15.4542 15.4542 15.4542 18.3743 18.3743 18.3743 18.3743 k = 0.0574 0.3007 0.2710 ( 1752 PWs) bands (ev): -9.2614 -9.2614 -9.2614 -9.2614 -6.5575 -6.5575 -6.5575 -6.5575 1.4819 1.4819 1.4819 1.4819 3.2370 3.2370 3.2370 3.2370 5.0882 5.0882 5.0882 5.0882 5.8436 5.8436 5.8436 5.8436 7.6182 7.6182 7.6182 7.6182 8.0177 8.0177 8.0177 8.0177 15.4159 15.4159 15.4159 15.4159 18.3145 18.3145 18.3145 18.3145 k = 0.0492 0.3007 0.2710 ( 1748 PWs) bands (ev): -9.2742 -9.2742 -9.2742 -9.2742 -6.5672 -6.5672 -6.5672 -6.5672 1.4724 1.4724 1.4724 1.4724 3.2655 3.2655 3.2655 3.2655 5.1127 5.1127 5.1127 5.1127 5.8599 5.8599 5.8599 5.8599 7.6527 7.6527 7.6527 7.6527 8.0219 8.0219 8.0219 8.0219 15.3811 15.3811 15.3811 15.3811 18.2634 18.2634 18.2634 18.2634 k = 0.0410 0.3007 0.2710 ( 1744 PWs) bands (ev): -9.2850 -9.2850 -9.2850 -9.2850 -6.5754 -6.5754 -6.5754 -6.5754 1.4643 1.4643 1.4643 1.4643 3.2890 3.2890 3.2890 3.2890 5.1350 5.1350 5.1350 5.1350 5.8732 5.8732 5.8732 5.8732 7.6830 7.6830 7.6830 7.6830 8.0253 8.0253 8.0253 8.0253 15.3504 15.3504 15.3504 15.3504 18.2206 18.2206 18.2206 18.2206 k = 0.0328 0.3007 0.2710 ( 1744 PWs) bands (ev): -9.2938 -9.2938 -9.2938 -9.2938 -6.5821 -6.5821 -6.5821 -6.5821 1.4577 1.4577 1.4577 1.4577 3.3078 3.3078 3.3078 3.3078 5.1543 5.1543 5.1543 5.1543 5.8837 5.8837 5.8837 5.8837 7.7085 7.7085 7.7085 7.7085 8.0279 8.0279 8.0279 8.0279 15.3245 15.3245 15.3245 15.3245 18.1859 18.1859 18.1859 18.1859 k = 0.0246 0.3007 0.2710 ( 1748 PWs) bands (ev): -9.3007 -9.3007 -9.3007 -9.3007 -6.5874 -6.5874 -6.5874 -6.5874 1.4525 1.4525 1.4525 1.4525 3.3222 3.3222 3.3222 3.3222 5.1698 5.1698 5.1698 5.1698 5.8917 5.8917 5.8917 5.8917 7.7289 7.7289 7.7289 7.7289 8.0299 8.0299 8.0299 8.0299 15.3038 15.3038 15.3038 15.3038 18.1592 18.1592 18.1592 18.1592 k = 0.0164 0.3007 0.2710 ( 1748 PWs) bands (ev): -9.3056 -9.3056 -9.3056 -9.3056 -6.5911 -6.5911 -6.5911 -6.5911 1.4488 1.4488 1.4488 1.4488 3.3323 3.3323 3.3323 3.3323 5.1813 5.1813 5.1813 5.1813 5.8973 5.8973 5.8973 5.8973 7.7436 7.7436 7.7436 7.7436 8.0312 8.0312 8.0312 8.0312 15.2887 15.2887 15.2887 15.2887 18.1402 18.1402 18.1402 18.1402 k = 0.0082 0.3007 0.2710 ( 1752 PWs) bands (ev): -9.3085 -9.3085 -9.3085 -9.3085 -6.5934 -6.5934 -6.5934 -6.5934 1.4466 1.4466 1.4466 1.4466 3.3383 3.3383 3.3383 3.3383 5.1884 5.1884 5.1884 5.1884 5.9006 5.9006 5.9006 5.9006 7.7526 7.7526 7.7526 7.7526 8.0320 8.0320 8.0320 8.0320 15.2795 15.2795 15.2795 15.2795 18.1288 18.1288 18.1288 18.1288 k = 0.0000 0.3007 0.2710 ( 1756 PWs) bands (ev): -9.3095 -9.3095 -9.3095 -9.3095 -6.5942 -6.5942 -6.5942 -6.5942 1.4458 1.4458 1.4458 1.4458 3.3402 3.3402 3.3402 3.3402 5.1907 5.1907 5.1907 5.1907 5.9017 5.9017 5.9017 5.9017 7.7555 7.7555 7.7555 7.7555 8.0323 8.0323 8.0323 8.0323 15.2765 15.2765 15.2765 15.2765 18.1251 18.1251 18.1251 18.1251 k = 0.0000 0.3007 0.2710 ( 1756 PWs) bands (ev): -9.3095 -9.3095 -9.3095 -9.3095 -6.5942 -6.5942 -6.5942 -6.5942 1.4458 1.4458 1.4458 1.4458 3.3402 3.3402 3.3402 3.3402 5.1907 5.1907 5.1907 5.1907 5.9017 5.9017 5.9017 5.9017 7.7555 7.7555 7.7555 7.7555 8.0323 8.0323 8.0323 8.0323 15.2765 15.2765 15.2765 15.2765 18.1251 18.1251 18.1251 18.1251 k = 0.0000 0.2926 0.2710 ( 1756 PWs) bands (ev): -9.3104 -9.3104 -9.3104 -9.3104 -6.5923 -6.5923 -6.5923 -6.5923 1.4421 1.4421 1.4421 1.4421 3.3422 3.3422 3.3422 3.3422 5.1899 5.1899 5.1899 5.1899 5.9010 5.9010 5.9010 5.9010 7.7570 7.7570 7.7570 7.7570 8.0339 8.0339 8.0339 8.0339 15.2762 15.2762 15.2762 15.2762 18.1236 18.1236 18.1236 18.1236 k = 0.0000 0.2844 0.2710 ( 1752 PWs) bands (ev): -9.3129 -9.3129 -9.3129 -9.3129 -6.5867 -6.5867 -6.5867 -6.5867 1.4310 1.4310 1.4310 1.4310 3.3479 3.3479 3.3479 3.3479 5.1875 5.1875 5.1875 5.1875 5.8990 5.8990 5.8990 5.8990 7.7616 7.7616 7.7616 7.7616 8.0387 8.0387 8.0387 8.0387 15.2756 15.2756 15.2756 15.2756 18.1193 18.1193 18.1193 18.1193 k = 0.0000 0.2763 0.2710 ( 1750 PWs) bands (ev): -9.3170 -9.3170 -9.3170 -9.3170 -6.5775 -6.5775 -6.5775 -6.5775 1.4128 1.4128 1.4128 1.4128 3.3573 3.3573 3.3573 3.3573 5.1834 5.1834 5.1834 5.1834 5.8959 5.8959 5.8959 5.8959 7.7690 7.7690 7.7690 7.7690 8.0465 8.0465 8.0465 8.0465 15.2745 15.2745 15.2745 15.2745 18.1124 18.1124 18.1124 18.1124 k = 0.0000 0.2682 0.2710 ( 1746 PWs) bands (ev): -9.3228 -9.3228 -9.3228 -9.3228 -6.5647 -6.5647 -6.5647 -6.5647 1.3878 1.3878 1.3878 1.3878 3.3698 3.3698 3.3698 3.3698 5.1778 5.1778 5.1778 5.1778 5.8919 5.8919 5.8919 5.8919 7.7793 7.7793 7.7793 7.7793 8.0572 8.0572 8.0572 8.0572 15.2731 15.2731 15.2731 15.2731 18.1033 18.1033 18.1033 18.1033 k = 0.0000 0.2601 0.2710 ( 1746 PWs) bands (ev): -9.3300 -9.3300 -9.3300 -9.3300 -6.5485 -6.5485 -6.5485 -6.5485 1.3564 1.3564 1.3564 1.3564 3.3850 3.3850 3.3850 3.3850 5.1708 5.1708 5.1708 5.1708 5.8874 5.8874 5.8874 5.8874 7.7924 7.7924 7.7924 7.7924 8.0703 8.0703 8.0703 8.0703 15.2715 15.2715 15.2715 15.2715 18.0924 18.0924 18.0924 18.0924 k = 0.0000 0.2519 0.2710 ( 1742 PWs) bands (ev): -9.3387 -9.3387 -9.3387 -9.3387 -6.5289 -6.5289 -6.5289 -6.5289 1.3191 1.3191 1.3191 1.3191 3.4024 3.4024 3.4024 3.4024 5.1623 5.1623 5.1623 5.1623 5.8826 5.8826 5.8826 5.8826 7.8081 7.8081 7.8081 7.8081 8.0857 8.0857 8.0857 8.0857 15.2696 15.2696 15.2696 15.2696 18.0800 18.0800 18.0800 18.0800 k = 0.0000 0.2438 0.2710 ( 1742 PWs) bands (ev): -9.3486 -9.3486 -9.3486 -9.3486 -6.5061 -6.5061 -6.5061 -6.5061 1.2766 1.2766 1.2766 1.2766 3.4215 3.4215 3.4215 3.4215 5.1526 5.1526 5.1526 5.1526 5.8780 5.8780 5.8780 5.8780 7.8263 7.8263 7.8263 7.8263 8.1027 8.1027 8.1027 8.1027 15.2677 15.2677 15.2677 15.2677 18.0666 18.0666 18.0666 18.0666 k = 0.0000 0.2357 0.2710 ( 1742 PWs) bands (ev): -9.3598 -9.3598 -9.3598 -9.3598 -6.4802 -6.4802 -6.4802 -6.4802 1.2294 1.2294 1.2294 1.2294 3.4415 3.4415 3.4415 3.4415 5.1416 5.1416 5.1416 5.1416 5.8740 5.8740 5.8740 5.8740 7.8469 7.8469 7.8469 7.8469 8.1211 8.1211 8.1211 8.1211 15.2659 15.2659 15.2659 15.2659 18.0524 18.0524 18.0524 18.0524 k = 0.0000 0.2276 0.2710 ( 1746 PWs) bands (ev): -9.3720 -9.3720 -9.3720 -9.3720 -6.4516 -6.4516 -6.4516 -6.4516 1.1780 1.1780 1.1780 1.1780 3.4619 3.4619 3.4619 3.4619 5.1296 5.1296 5.1296 5.1296 5.8712 5.8712 5.8712 5.8712 7.8696 7.8696 7.8696 7.8696 8.1403 8.1403 8.1403 8.1403 15.2643 15.2643 15.2643 15.2643 18.0377 18.0377 18.0377 18.0377 k = 0.0000 0.2194 0.2710 ( 1754 PWs) bands (ev): -9.3851 -9.3851 -9.3851 -9.3851 -6.4204 -6.4204 -6.4204 -6.4204 1.1230 1.1230 1.1230 1.1230 3.4822 3.4822 3.4822 3.4822 5.1167 5.1167 5.1167 5.1167 5.8699 5.8699 5.8699 5.8699 7.8942 7.8942 7.8942 7.8942 8.1600 8.1600 8.1600 8.1600 15.2630 15.2630 15.2630 15.2630 18.0227 18.0227 18.0227 18.0227 k = 0.0000 0.2113 0.2710 ( 1750 PWs) bands (ev): -9.3991 -9.3991 -9.3991 -9.3991 -6.3867 -6.3867 -6.3867 -6.3867 1.0650 1.0650 1.0650 1.0650 3.5019 3.5019 3.5019 3.5019 5.1030 5.1030 5.1030 5.1030 5.8705 5.8705 5.8705 5.8705 7.9207 7.9207 7.9207 7.9207 8.1796 8.1796 8.1796 8.1796 15.2621 15.2621 15.2621 15.2621 18.0077 18.0077 18.0077 18.0077 k = 0.0000 0.2032 0.2710 ( 1750 PWs) bands (ev): -9.4136 -9.4136 -9.4136 -9.4136 -6.3509 -6.3509 -6.3509 -6.3509 1.0045 1.0045 1.0045 1.0045 3.5205 3.5205 3.5205 3.5205 5.0886 5.0886 5.0886 5.0886 5.8735 5.8735 5.8735 5.8735 7.9487 7.9487 7.9487 7.9487 8.1989 8.1989 8.1989 8.1989 15.2619 15.2619 15.2619 15.2619 17.9927 17.9927 17.9927 17.9927 k = 0.0000 0.1950 0.2710 ( 1750 PWs) bands (ev): -9.4287 -9.4287 -9.4287 -9.4287 -6.3132 -6.3132 -6.3132 -6.3132 0.9418 0.9418 0.9418 0.9418 3.5378 3.5378 3.5378 3.5378 5.0738 5.0738 5.0738 5.0738 5.8790 5.8790 5.8790 5.8790 7.9781 7.9781 7.9781 7.9781 8.2172 8.2172 8.2172 8.2172 15.2623 15.2623 15.2623 15.2623 17.9780 17.9780 17.9780 17.9780 k = 0.0000 0.1869 0.2710 ( 1750 PWs) bands (ev): -9.4442 -9.4442 -9.4442 -9.4442 -6.2738 -6.2738 -6.2738 -6.2738 0.8776 0.8776 0.8776 0.8776 3.5534 3.5534 3.5534 3.5534 5.0585 5.0585 5.0585 5.0585 5.8874 5.8874 5.8874 5.8874 8.0086 8.0086 8.0086 8.0086 8.2344 8.2344 8.2344 8.2344 15.2635 15.2635 15.2635 15.2635 17.9637 17.9637 17.9637 17.9637 k = 0.0000 0.1788 0.2710 ( 1750 PWs) bands (ev): -9.4599 -9.4599 -9.4599 -9.4599 -6.2329 -6.2329 -6.2329 -6.2329 0.8122 0.8122 0.8122 0.8122 3.5672 3.5672 3.5672 3.5672 5.0430 5.0430 5.0430 5.0430 5.8987 5.8987 5.8987 5.8987 8.0399 8.0399 8.0399 8.0399 8.2501 8.2501 8.2501 8.2501 15.2655 15.2655 15.2655 15.2655 17.9500 17.9500 17.9500 17.9500 k = 0.0000 0.1707 0.2710 ( 1754 PWs) bands (ev): -9.4757 -9.4757 -9.4757 -9.4757 -6.1910 -6.1910 -6.1910 -6.1910 0.7460 0.7460 0.7460 0.7460 3.5789 3.5789 3.5789 3.5789 5.0274 5.0274 5.0274 5.0274 5.9131 5.9131 5.9131 5.9131 8.0719 8.0719 8.0719 8.0719 8.2640 8.2640 8.2640 8.2640 15.2684 15.2684 15.2684 15.2684 17.9368 17.9368 17.9368 17.9368 k = 0.0000 0.1625 0.2710 ( 1758 PWs) bands (ev): -9.4916 -9.4916 -9.4916 -9.4916 -6.1481 -6.1481 -6.1481 -6.1481 0.6794 0.6794 0.6794 0.6794 3.5886 3.5886 3.5886 3.5886 5.0117 5.0117 5.0117 5.0117 5.9306 5.9306 5.9306 5.9306 8.1043 8.1043 8.1043 8.1043 8.2760 8.2760 8.2760 8.2760 15.2723 15.2723 15.2723 15.2723 17.9245 17.9245 17.9245 17.9245 k = 0.0000 0.1544 0.2710 ( 1758 PWs) bands (ev): -9.5073 -9.5073 -9.5073 -9.5073 -6.1047 -6.1047 -6.1047 -6.1047 0.6128 0.6128 0.6128 0.6128 3.5962 3.5962 3.5962 3.5962 4.9961 4.9961 4.9961 4.9961 5.9509 5.9509 5.9509 5.9509 8.1370 8.1370 8.1370 8.1370 8.2859 8.2859 8.2859 8.2859 15.2771 15.2771 15.2771 15.2771 17.9130 17.9130 17.9130 17.9130 k = 0.0000 0.1463 0.2710 ( 1758 PWs) bands (ev): -9.5228 -9.5228 -9.5228 -9.5228 -6.0609 -6.0609 -6.0609 -6.0609 0.5467 0.5467 0.5467 0.5467 3.6019 3.6019 3.6019 3.6019 4.9808 4.9808 4.9808 4.9808 5.9741 5.9741 5.9741 5.9741 8.1696 8.1696 8.1696 8.1696 8.2936 8.2936 8.2936 8.2936 15.2828 15.2828 15.2828 15.2828 17.9025 17.9025 17.9025 17.9025 k = 0.0000 0.1382 0.2710 ( 1752 PWs) bands (ev): -9.5379 -9.5379 -9.5379 -9.5379 -6.0171 -6.0171 -6.0171 -6.0171 0.4814 0.4814 0.4814 0.4814 3.6057 3.6057 3.6057 3.6057 4.9657 4.9657 4.9657 4.9657 5.9998 5.9998 5.9998 5.9998 8.2020 8.2020 8.2020 8.2020 8.2990 8.2990 8.2990 8.2990 15.2893 15.2893 15.2893 15.2893 17.8929 17.8929 17.8929 17.8929 k = 0.0000 0.1300 0.2710 ( 1748 PWs) bands (ev): -9.5527 -9.5527 -9.5527 -9.5527 -5.9735 -5.9735 -5.9735 -5.9735 0.4172 0.4172 0.4172 0.4172 3.6079 3.6079 3.6079 3.6079 4.9510 4.9510 4.9510 4.9510 6.0278 6.0278 6.0278 6.0278 8.2338 8.2338 8.2338 8.2338 8.3021 8.3021 8.3021 8.3021 15.2967 15.2967 15.2967 15.2967 17.8844 17.8844 17.8844 17.8844 k = 0.0000 0.1219 0.2710 ( 1752 PWs) bands (ev): -9.5669 -9.5669 -9.5669 -9.5669 -5.9305 -5.9305 -5.9305 -5.9305 0.3544 0.3544 0.3544 0.3544 3.6085 3.6085 3.6085 3.6085 4.9368 4.9368 4.9368 4.9368 6.0576 6.0576 6.0576 6.0576 8.2647 8.2647 8.2647 8.2647 8.3031 8.3031 8.3032 8.3032 15.3047 15.3047 15.3047 15.3047 17.8771 17.8771 17.8771 17.8771 k = 0.0000 0.1138 0.2710 ( 1756 PWs) bands (ev): -9.5806 -9.5806 -9.5806 -9.5806 -5.8884 -5.8884 -5.8884 -5.8884 0.2936 0.2936 0.2936 0.2936 3.6078 3.6078 3.6078 3.6078 4.9232 4.9232 4.9232 4.9232 6.0889 6.0889 6.0889 6.0889 8.2925 8.2925 8.2925 8.2925 8.3042 8.3042 8.3042 8.3042 15.3134 15.3134 15.3134 15.3134 17.8707 17.8707 17.8707 17.8707 k = 0.0000 0.1057 0.2710 ( 1750 PWs) bands (ev): -9.5937 -9.5937 -9.5937 -9.5937 -5.8474 -5.8474 -5.8474 -5.8474 0.2349 0.2349 0.2349 0.2349 3.6061 3.6061 3.6061 3.6061 4.9102 4.9102 4.9102 4.9102 6.1213 6.1213 6.1213 6.1213 8.2966 8.2966 8.2966 8.2966 8.3260 8.3260 8.3260 8.3260 15.3224 15.3224 15.3224 15.3224 17.8655 17.8655 17.8655 17.8655 k = 0.0000 0.0975 0.2710 ( 1750 PWs) bands (ev): -9.6060 -9.6060 -9.6060 -9.6060 -5.8078 -5.8078 -5.8078 -5.8078 0.1789 0.1789 0.1789 0.1789 3.6035 3.6035 3.6035 3.6035 4.8979 4.8979 4.8979 4.8979 6.1543 6.1543 6.1543 6.1543 8.2919 8.2919 8.2919 8.2919 8.3535 8.3535 8.3535 8.3535 15.3317 15.3317 15.3317 15.3317 17.8614 17.8614 17.8614 17.8614 k = 0.0000 0.0894 0.2710 ( 1750 PWs) bands (ev): -9.6175 -9.6175 -9.6175 -9.6175 -5.7700 -5.7700 -5.7700 -5.7700 0.1257 0.1257 0.1257 0.1257 3.6002 3.6002 3.6002 3.6002 4.8864 4.8864 4.8864 4.8864 6.1875 6.1875 6.1875 6.1875 8.2852 8.2852 8.2852 8.2852 8.3799 8.3799 8.3799 8.3799 15.3412 15.3412 15.3412 15.3412 17.8583 17.8583 17.8583 17.8583 k = 0.0000 0.0813 0.2710 ( 1750 PWs) bands (ev): -9.6282 -9.6282 -9.6282 -9.6282 -5.7342 -5.7342 -5.7342 -5.7342 0.0757 0.0757 0.0757 0.0757 3.5965 3.5965 3.5965 3.5965 4.8757 4.8757 4.8757 4.8757 6.2202 6.2202 6.2202 6.2202 8.2772 8.2772 8.2772 8.2772 8.4047 8.4047 8.4047 8.4047 15.3506 15.3506 15.3506 15.3506 17.8561 17.8561 17.8561 17.8561 k = 0.0000 0.0731 0.2710 ( 1742 PWs) bands (ev): -9.6381 -9.6381 -9.6381 -9.6381 -5.7008 -5.7008 -5.7008 -5.7008 0.0294 0.0294 0.0294 0.0294 3.5926 3.5926 3.5926 3.5926 4.8660 4.8660 4.8660 4.8660 6.2520 6.2520 6.2520 6.2520 8.2684 8.2684 8.2684 8.2684 8.4278 8.4278 8.4278 8.4278 15.3597 15.3597 15.3597 15.3597 17.8547 17.8547 17.8547 17.8547 k = 0.0000 0.0650 0.2710 ( 1742 PWs) bands (ev): -9.6470 -9.6470 -9.6470 -9.6470 -5.6700 -5.6700 -5.6700 -5.6700 -0.0131 -0.0131 -0.0131 -0.0131 3.5886 3.5886 3.5886 3.5886 4.8571 4.8571 4.8571 4.8571 6.2824 6.2824 6.2824 6.2824 8.2588 8.2588 8.2588 8.2588 8.4488 8.4488 8.4488 8.4488 15.3685 15.3685 15.3685 15.3685 17.8540 17.8540 17.8540 17.8540 k = 0.0000 0.0569 0.2710 ( 1742 PWs) bands (ev): -9.6549 -9.6549 -9.6549 -9.6549 -5.6420 -5.6420 -5.6420 -5.6420 -0.0513 -0.0513 -0.0513 -0.0513 3.5847 3.5847 3.5847 3.5847 4.8491 4.8491 4.8491 4.8491 6.3108 6.3108 6.3108 6.3108 8.2491 8.2491 8.2491 8.2491 8.4678 8.4678 8.4678 8.4678 15.3766 15.3766 15.3766 15.3766 17.8539 17.8539 17.8539 17.8539 k = 0.0000 0.0488 0.2710 ( 1746 PWs) bands (ev): -9.6619 -9.6619 -9.6619 -9.6619 -5.6173 -5.6173 -5.6173 -5.6173 -0.0851 -0.0851 -0.0851 -0.0851 3.5810 3.5810 3.5810 3.5810 4.8421 4.8421 4.8421 4.8421 6.3367 6.3367 6.3367 6.3367 8.2395 8.2395 8.2395 8.2395 8.4845 8.4845 8.4845 8.4845 15.3840 15.3840 15.3840 15.3840 17.8542 17.8542 17.8542 17.8542 k = 0.0000 0.0406 0.2710 ( 1746 PWs) bands (ev): -9.6678 -9.6678 -9.6678 -9.6678 -5.5959 -5.5959 -5.5959 -5.5959 -0.1142 -0.1142 -0.1142 -0.1142 3.5777 3.5777 3.5777 3.5777 4.8362 4.8362 4.8362 4.8362 6.3596 6.3596 6.3596 6.3596 8.2306 8.2306 8.2306 8.2306 8.4989 8.4989 8.4989 8.4989 15.3906 15.3906 15.3906 15.3906 17.8549 17.8549 17.8549 17.8549 k = 0.0000 0.0325 0.2710 ( 1746 PWs) bands (ev): -9.6727 -9.6727 -9.6727 -9.6727 -5.5781 -5.5781 -5.5781 -5.5781 -0.1383 -0.1383 -0.1383 -0.1383 3.5748 3.5748 3.5748 3.5748 4.8313 4.8313 4.8313 4.8313 6.3791 6.3791 6.3791 6.3791 8.2227 8.2227 8.2228 8.2228 8.5108 8.5108 8.5108 8.5108 15.3961 15.3961 15.3961 15.3961 17.8556 17.8556 17.8556 17.8556 k = 0.0000 0.0244 0.2710 ( 1744 PWs) bands (ev): -9.6765 -9.6765 -9.6765 -9.6765 -5.5641 -5.5641 -5.5641 -5.5641 -0.1573 -0.1573 -0.1573 -0.1573 3.5725 3.5725 3.5725 3.5725 4.8275 4.8275 4.8275 4.8275 6.3947 6.3947 6.3947 6.3947 8.2162 8.2162 8.2162 8.2162 8.5201 8.5201 8.5201 8.5201 15.4005 15.4005 15.4005 15.4005 17.8564 17.8564 17.8564 17.8564 k = 0.0000 0.0163 0.2710 ( 1744 PWs) bands (ev): -9.6792 -9.6792 -9.6792 -9.6792 -5.5539 -5.5539 -5.5539 -5.5539 -0.1709 -0.1709 -0.1709 -0.1709 3.5708 3.5708 3.5708 3.5708 4.8248 4.8248 4.8248 4.8248 6.4061 6.4061 6.4061 6.4061 8.2113 8.2113 8.2113 8.2113 8.5268 8.5268 8.5268 8.5268 15.4038 15.4038 15.4038 15.4038 17.8570 17.8570 17.8570 17.8570 k = 0.0000 0.0081 0.2710 ( 1738 PWs) bands (ev): -9.6809 -9.6809 -9.6809 -9.6809 -5.5478 -5.5478 -5.5478 -5.5478 -0.1791 -0.1791 -0.1791 -0.1791 3.5698 3.5698 3.5698 3.5698 4.8232 4.8232 4.8232 4.8232 6.4130 6.4130 6.4130 6.4130 8.2083 8.2083 8.2083 8.2083 8.5309 8.5309 8.5309 8.5309 15.4057 15.4057 15.4057 15.4057 17.8574 17.8574 17.8574 17.8574 k = 0.0000 0.0000 0.2710 ( 1738 PWs) bands (ev): -9.6814 -9.6814 -9.6814 -9.6814 -5.5458 -5.5458 -5.5458 -5.5458 -0.1819 -0.1819 -0.1819 -0.1819 3.5694 3.5694 3.5694 3.5694 4.8226 4.8226 4.8226 4.8226 6.4154 6.4154 6.4154 6.4154 8.2073 8.2073 8.2073 8.2073 8.5323 8.5323 8.5323 8.5323 15.4064 15.4064 15.4064 15.4064 17.8576 17.8576 17.8576 17.8576 k = 0.0000 0.3007-0.0000 ( 1742 PWs) bands (ev): -9.5262 -9.5262 -9.5262 -9.5262 -5.9211 -5.9211 -5.9211 -5.9211 -0.3689 -0.3689 -0.3689 -0.3689 5.1077 5.1077 5.1077 5.1077 5.2293 5.2293 5.2293 5.2293 5.5555 5.5555 5.5555 5.5555 7.9050 7.9050 7.9050 7.9050 7.9148 7.9148 7.9148 7.9148 15.7440 15.7440 15.7440 15.7440 18.2104 18.2104 18.2104 18.2104 k = 0.0000 0.3007 0.0082 ( 1742 PWs) bands (ev): -9.5258 -9.5258 -9.5258 -9.5258 -5.9227 -5.9227 -5.9227 -5.9227 -0.3657 -0.3657 -0.3657 -0.3657 5.1079 5.1079 5.1079 5.1079 5.2265 5.2265 5.2265 5.2265 5.5551 5.5551 5.5551 5.5551 7.9055 7.9055 7.9055 7.9055 7.9152 7.9152 7.9153 7.9153 15.7426 15.7426 15.7426 15.7426 18.2066 18.2066 18.2066 18.2066 k = 0.0000 0.3007 0.0164 ( 1742 PWs) bands (ev): -9.5245 -9.5245 -9.5245 -9.5245 -5.9276 -5.9276 -5.9276 -5.9276 -0.3562 -0.3562 -0.3562 -0.3562 5.1084 5.1084 5.1084 5.1084 5.2180 5.2180 5.2180 5.2180 5.5542 5.5542 5.5542 5.5542 7.9062 7.9062 7.9062 7.9062 7.9174 7.9174 7.9174 7.9174 15.7381 15.7381 15.7381 15.7381 18.1955 18.1955 18.1955 18.1955 k = 0.0000 0.3007 0.0246 ( 1742 PWs) bands (ev): -9.5223 -9.5223 -9.5223 -9.5223 -5.9357 -5.9357 -5.9357 -5.9357 -0.3405 -0.3405 -0.3405 -0.3405 5.1093 5.1093 5.1093 5.1093 5.2035 5.2035 5.2035 5.2035 5.5530 5.5530 5.5530 5.5530 7.9057 7.9057 7.9057 7.9057 7.9224 7.9224 7.9224 7.9224 15.7307 15.7307 15.7307 15.7307 18.1779 18.1779 18.1779 18.1779 k = 0.0000 0.3007 0.0328 ( 1746 PWs) bands (ev): -9.5194 -9.5194 -9.5194 -9.5194 -5.9469 -5.9469 -5.9469 -5.9469 -0.3186 -0.3186 -0.3186 -0.3186 5.1104 5.1104 5.1104 5.1104 5.1826 5.1826 5.1826 5.1826 5.5523 5.5523 5.5523 5.5523 7.9040 7.9040 7.9040 7.9040 7.9301 7.9301 7.9301 7.9301 15.7205 15.7205 15.7205 15.7205 18.1550 18.1550 18.1550 18.1550 k = 0.0000 0.3007 0.0411 ( 1746 PWs) bands (ev): -9.5156 -9.5156 -9.5156 -9.5156 -5.9611 -5.9611 -5.9611 -5.9611 -0.2907 -0.2907 -0.2907 -0.2907 5.1119 5.1119 5.1119 5.1119 5.1551 5.1551 5.1551 5.1551 5.5526 5.5526 5.5526 5.5526 7.9013 7.9013 7.9013 7.9013 7.9401 7.9401 7.9401 7.9401 15.7077 15.7077 15.7077 15.7077 18.1280 18.1280 18.1280 18.1280 k = 0.0000 0.3007 0.0493 ( 1742 PWs) bands (ev): -9.5110 -9.5110 -9.5110 -9.5110 -5.9780 -5.9780 -5.9780 -5.9780 -0.2569 -0.2569 -0.2569 -0.2569 5.1129 5.1129 5.1129 5.1129 5.1216 5.1216 5.1216 5.1216 5.5545 5.5545 5.5545 5.5545 7.8978 7.8978 7.8978 7.8978 7.9517 7.9517 7.9517 7.9517 15.6923 15.6923 15.6923 15.6923 18.0984 18.0984 18.0984 18.0984 k = 0.0000 0.3007 0.0575 ( 1746 PWs) bands (ev): -9.5057 -9.5057 -9.5057 -9.5057 -5.9976 -5.9976 -5.9976 -5.9976 -0.2175 -0.2175 -0.2175 -0.2175 5.0791 5.0791 5.0792 5.0792 5.1164 5.1164 5.1165 5.1165 5.5581 5.5581 5.5581 5.5581 7.8938 7.8938 7.8938 7.8938 7.9644 7.9644 7.9644 7.9644 15.6747 15.6747 15.6747 15.6747 18.0676 18.0676 18.0676 18.0676 k = 0.0000 0.3007 0.0657 ( 1752 PWs) bands (ev): -9.4996 -9.4996 -9.4996 -9.4996 -6.0196 -6.0196 -6.0196 -6.0196 -0.1728 -0.1728 -0.1728 -0.1728 5.0317 5.0317 5.0317 5.0317 5.1188 5.1188 5.1188 5.1188 5.5638 5.5638 5.5638 5.5638 7.8891 7.8891 7.8891 7.8891 7.9778 7.9778 7.9778 7.9778 15.6550 15.6550 15.6550 15.6550 18.0367 18.0367 18.0367 18.0367 k = 0.0000 0.3007 0.0739 ( 1756 PWs) bands (ev): -9.4928 -9.4928 -9.4928 -9.4928 -6.0437 -6.0437 -6.0437 -6.0437 -0.1229 -0.1229 -0.1229 -0.1229 4.9780 4.9780 4.9780 4.9780 5.1215 5.1215 5.1215 5.1215 5.5714 5.5714 5.5714 5.5714 7.8839 7.8839 7.8839 7.8839 7.9915 7.9915 7.9915 7.9915 15.6335 15.6335 15.6335 15.6335 18.0068 18.0068 18.0068 18.0068 k = 0.0000 0.3007 0.0821 ( 1756 PWs) bands (ev): -9.4854 -9.4854 -9.4854 -9.4854 -6.0698 -6.0698 -6.0698 -6.0698 -0.0682 -0.0682 -0.0682 -0.0682 4.9187 4.9187 4.9187 4.9187 5.1245 5.1245 5.1245 5.1245 5.5809 5.5809 5.5809 5.5809 7.8782 7.8782 7.8782 7.8782 8.0051 8.0051 8.0051 8.0051 15.6107 15.6107 15.6107 15.6107 17.9787 17.9787 17.9787 17.9787 k = 0.0000 0.3007 0.0903 ( 1756 PWs) bands (ev): -9.4774 -9.4774 -9.4774 -9.4774 -6.0975 -6.0975 -6.0975 -6.0975 -0.0089 -0.0089 -0.0089 -0.0089 4.8544 4.8544 4.8544 4.8544 5.1277 5.1277 5.1277 5.1277 5.5923 5.5923 5.5923 5.5923 7.8721 7.8721 7.8721 7.8721 8.0183 8.0183 8.0183 8.0183 15.5868 15.5868 15.5868 15.5868 17.9531 17.9531 17.9531 17.9531 k = 0.0000 0.3007 0.0985 ( 1754 PWs) bands (ev): -9.4688 -9.4688 -9.4688 -9.4688 -6.1266 -6.1266 -6.1266 -6.1266 0.0546 0.0546 0.0546 0.0546 4.7856 4.7856 4.7856 4.7856 5.1311 5.1311 5.1311 5.1311 5.6052 5.6052 5.6052 5.6052 7.8656 7.8656 7.8656 7.8656 8.0306 8.0306 8.0306 8.0306 15.5623 15.5623 15.5623 15.5623 17.9305 17.9305 17.9305 17.9305 k = 0.0000 0.3007 0.1068 ( 1742 PWs) bands (ev): -9.4598 -9.4598 -9.4598 -9.4598 -6.1568 -6.1568 -6.1568 -6.1568 0.1219 0.1219 0.1219 0.1219 4.7129 4.7129 4.7129 4.7129 5.1348 5.1348 5.1348 5.1348 5.6195 5.6195 5.6195 5.6195 7.8589 7.8589 7.8589 7.8589 8.0419 8.0419 8.0419 8.0419 15.5374 15.5374 15.5374 15.5374 17.9113 17.9113 17.9113 17.9113 k = 0.0000 0.3007 0.1150 ( 1738 PWs) bands (ev): -9.4503 -9.4503 -9.4503 -9.4503 -6.1878 -6.1878 -6.1878 -6.1878 0.1928 0.1928 0.1928 0.1928 4.6366 4.6366 4.6366 4.6366 5.1386 5.1386 5.1386 5.1386 5.6351 5.6351 5.6351 5.6351 7.8519 7.8519 7.8519 7.8519 8.0518 8.0518 8.0518 8.0518 15.5125 15.5125 15.5125 15.5125 17.8956 17.8956 17.8956 17.8956 k = 0.0000 0.3007 0.1232 ( 1738 PWs) bands (ev): -9.4405 -9.4405 -9.4405 -9.4405 -6.2193 -6.2193 -6.2193 -6.2193 0.2668 0.2668 0.2668 0.2668 4.5574 4.5574 4.5574 4.5574 5.1424 5.1424 5.1424 5.1424 5.6517 5.6517 5.6517 5.6517 7.8448 7.8448 7.8448 7.8448 8.0602 8.0602 8.0602 8.0602 15.4880 15.4880 15.4880 15.4880 17.8837 17.8837 17.8837 17.8837 k = 0.0000 0.3007 0.1314 ( 1738 PWs) bands (ev): -9.4305 -9.4305 -9.4305 -9.4305 -6.2511 -6.2511 -6.2511 -6.2511 0.3435 0.3435 0.3435 0.3435 4.4757 4.4757 4.4757 4.4757 5.1463 5.1463 5.1463 5.1463 5.6692 5.6692 5.6692 5.6692 7.8375 7.8375 7.8375 7.8375 8.0670 8.0670 8.0670 8.0670 15.4641 15.4641 15.4641 15.4641 17.8755 17.8755 17.8755 17.8755 k = 0.0000 0.3007 0.1396 ( 1742 PWs) bands (ev): -9.4203 -9.4203 -9.4203 -9.4203 -6.2828 -6.2828 -6.2828 -6.2828 0.4226 0.4226 0.4226 0.4226 4.3919 4.3919 4.3919 4.3919 5.1503 5.1503 5.1503 5.1503 5.6874 5.6874 5.6874 5.6874 7.8301 7.8301 7.8301 7.8301 8.0720 8.0720 8.0720 8.0720 15.4413 15.4413 15.4413 15.4413 17.8711 17.8711 17.8711 17.8711 k = 0.0000 0.3007 0.1478 ( 1746 PWs) bands (ev): -9.4100 -9.4100 -9.4100 -9.4100 -6.3143 -6.3143 -6.3143 -6.3143 0.5036 0.5036 0.5036 0.5036 4.3067 4.3067 4.3067 4.3067 5.1542 5.1542 5.1542 5.1542 5.7060 5.7060 5.7060 5.7060 7.8227 7.8227 7.8227 7.8227 8.0754 8.0754 8.0754 8.0754 15.4196 15.4196 15.4196 15.4196 17.8704 17.8704 17.8704 17.8704 k = 0.0000 0.3007 0.1560 ( 1744 PWs) bands (ev): -9.3996 -9.3996 -9.3996 -9.3996 -6.3452 -6.3452 -6.3452 -6.3452 0.5860 0.5860 0.5860 0.5860 4.2204 4.2204 4.2204 4.2204 5.1581 5.1581 5.1581 5.1581 5.7250 5.7250 5.7250 5.7250 7.8155 7.8155 7.8155 7.8155 8.0771 8.0771 8.0771 8.0771 15.3994 15.3994 15.3994 15.3994 17.8734 17.8734 17.8734 17.8734 k = 0.0000 0.3007 0.1642 ( 1736 PWs) bands (ev): -9.3894 -9.3894 -9.3894 -9.3894 -6.3752 -6.3752 -6.3752 -6.3752 0.6695 0.6695 0.6695 0.6695 4.1336 4.1336 4.1336 4.1336 5.1620 5.1620 5.1620 5.1620 5.7441 5.7441 5.7441 5.7441 7.8084 7.8084 7.8084 7.8084 8.0773 8.0773 8.0773 8.0773 15.3807 15.3807 15.3807 15.3807 17.8799 17.8799 17.8799 17.8799 k = 0.0000 0.3007 0.1725 ( 1740 PWs) bands (ev): -9.3794 -9.3794 -9.3794 -9.3794 -6.4042 -6.4042 -6.4042 -6.4042 0.7532 0.7532 0.7532 0.7532 4.0468 4.0468 4.0468 4.0468 5.1657 5.1657 5.1657 5.1657 5.7630 5.7630 5.7630 5.7630 7.8015 7.8015 7.8015 7.8015 8.0759 8.0759 8.0759 8.0759 15.3636 15.3636 15.3636 15.3636 17.8898 17.8898 17.8898 17.8898 k = 0.0000 0.3007 0.1807 ( 1744 PWs) bands (ev): -9.3697 -9.3697 -9.3697 -9.3697 -6.4318 -6.4318 -6.4318 -6.4318 0.8366 0.8366 0.8366 0.8366 3.9606 3.9606 3.9606 3.9606 5.1693 5.1693 5.1693 5.1693 5.7816 5.7816 5.7816 5.7816 7.7949 7.7949 7.7949 7.7949 8.0734 8.0734 8.0734 8.0734 15.3482 15.3482 15.3482 15.3482 17.9029 17.9029 17.9029 17.9029 k = 0.0000 0.3007 0.1889 ( 1746 PWs) bands (ev): -9.3604 -9.3604 -9.3604 -9.3604 -6.4579 -6.4579 -6.4579 -6.4579 0.9192 0.9192 0.9192 0.9192 3.8758 3.8758 3.8758 3.8758 5.1727 5.1727 5.1727 5.1727 5.7996 5.7996 5.7996 5.7996 7.7887 7.7887 7.7887 7.7887 8.0698 8.0698 8.0698 8.0698 15.3345 15.3345 15.3345 15.3345 17.9190 17.9190 17.9190 17.9190 k = 0.0000 0.3007 0.1971 ( 1744 PWs) bands (ev): -9.3516 -9.3516 -9.3516 -9.3516 -6.4823 -6.4823 -6.4823 -6.4823 1.0000 1.0000 1.0000 1.0000 3.7931 3.7931 3.7931 3.7931 5.1759 5.1759 5.1759 5.1759 5.8168 5.8168 5.8168 5.8168 7.7828 7.7828 7.7828 7.7828 8.0655 8.0655 8.0655 8.0655 15.3224 15.3224 15.3224 15.3224 17.9379 17.9379 17.9379 17.9379 k = 0.0000 0.3007 0.2053 ( 1744 PWs) bands (ev): -9.3434 -9.3434 -9.3434 -9.3434 -6.5047 -6.5047 -6.5047 -6.5047 1.0780 1.0780 1.0780 1.0780 3.7133 3.7133 3.7133 3.7133 5.1788 5.1788 5.1788 5.1788 5.8331 5.8331 5.8331 5.8331 7.7774 7.7774 7.7774 7.7774 8.0606 8.0606 8.0606 8.0606 15.3120 15.3120 15.3120 15.3120 17.9593 17.9593 17.9593 17.9593 k = 0.0000 0.3007 0.2135 ( 1744 PWs) bands (ev): -9.3359 -9.3359 -9.3359 -9.3359 -6.5249 -6.5249 -6.5249 -6.5249 1.1524 1.1524 1.1524 1.1524 3.6376 3.6376 3.6376 3.6376 5.1815 5.1815 5.1815 5.1815 5.8480 5.8480 5.8480 5.8480 7.7725 7.7725 7.7725 7.7725 8.0554 8.0554 8.0554 8.0554 15.3031 15.3031 15.3031 15.3031 17.9829 17.9829 17.9829 17.9829 k = 0.0000 0.3007 0.2217 ( 1744 PWs) bands (ev): -9.3292 -9.3292 -9.3292 -9.3292 -6.5428 -6.5428 -6.5428 -6.5428 1.2216 1.2216 1.2216 1.2216 3.5672 3.5672 3.5672 3.5672 5.1839 5.1839 5.1839 5.1839 5.8615 5.8615 5.8615 5.8615 7.7682 7.7682 7.7682 7.7682 8.0502 8.0502 8.0502 8.0502 15.2956 15.2956 15.2956 15.2956 18.0081 18.0081 18.0081 18.0081 k = 0.0000 0.3007 0.2299 ( 1748 PWs) bands (ev): -9.3233 -9.3233 -9.3233 -9.3233 -6.5582 -6.5582 -6.5582 -6.5582 1.2844 1.2844 1.2844 1.2844 3.5035 3.5035 3.5035 3.5035 5.1859 5.1859 5.1859 5.1859 5.8733 5.8733 5.8733 5.8733 7.7644 7.7644 7.7644 7.7644 8.0453 8.0453 8.0453 8.0453 15.2895 15.2895 15.2895 15.2895 18.0342 18.0342 18.0342 18.0342 k = 0.0000 0.3007 0.2382 ( 1750 PWs) bands (ev): -9.3185 -9.3185 -9.3185 -9.3185 -6.5710 -6.5710 -6.5710 -6.5710 1.3392 1.3392 1.3392 1.3392 3.4480 3.4480 3.4480 3.4480 5.1877 5.1877 5.1877 5.1877 5.8833 5.8833 5.8833 5.8833 7.7613 7.7613 7.7613 7.7613 8.0409 8.0409 8.0409 8.0409 15.2847 15.2847 15.2847 15.2847 18.0602 18.0602 18.0602 18.0602 k = 0.0000 0.3007 0.2464 ( 1750 PWs) bands (ev): -9.3146 -9.3146 -9.3146 -9.3146 -6.5810 -6.5810 -6.5810 -6.5810 1.3842 1.3842 1.3842 1.3842 3.4024 3.4024 3.4024 3.4024 5.1890 5.1890 5.1890 5.1890 5.8912 5.8912 5.8912 5.8912 7.7589 7.7589 7.7589 7.7589 8.0373 8.0373 8.0373 8.0373 15.2810 15.2810 15.2810 15.2810 18.0847 18.0847 18.0847 18.0847 k = 0.0000 0.3007 0.2546 ( 1754 PWs) bands (ev): -9.3118 -9.3118 -9.3118 -9.3118 -6.5883 -6.5883 -6.5883 -6.5883 1.4179 1.4179 1.4179 1.4179 3.3684 3.3684 3.3684 3.3684 5.1900 5.1900 5.1900 5.1900 5.8970 5.8970 5.8970 5.8970 7.7570 7.7570 7.7570 7.7570 8.0346 8.0346 8.0346 8.0346 15.2785 15.2785 15.2785 15.2785 18.1055 18.1055 18.1055 18.1055 k = 0.0000 0.3007 0.2628 ( 1756 PWs) bands (ev): -9.3101 -9.3101 -9.3101 -9.3101 -6.5927 -6.5927 -6.5927 -6.5927 1.4388 1.4388 1.4388 1.4388 3.3474 3.3474 3.3474 3.3474 5.1905 5.1905 5.1905 5.1905 5.9005 5.9005 5.9005 5.9005 7.7559 7.7559 7.7559 7.7559 8.0329 8.0329 8.0329 8.0329 15.2770 15.2770 15.2770 15.2770 18.1199 18.1199 18.1199 18.1199 k = 0.0000 0.3007 0.2710 ( 1756 PWs) bands (ev): -9.3095 -9.3095 -9.3095 -9.3095 -6.5942 -6.5942 -6.5942 -6.5942 1.4458 1.4458 1.4458 1.4458 3.3402 3.3402 3.3402 3.3402 5.1907 5.1907 5.1907 5.1907 5.9017 5.9017 5.9017 5.9017 7.7555 7.7555 7.7555 7.7555 8.0323 8.0323 8.0323 8.0323 15.2765 15.2765 15.2765 15.2765 18.1251 18.1251 18.1251 18.1251 k = 0.5000-0.0000 0.2710 ( 1752 PWs) bands (ev): -6.4385 -6.4385 -6.4385 -6.4385 -6.4383 -6.4383 -6.4383 -6.4383 0.9275 0.9275 0.9275 0.9275 0.9285 0.9285 0.9285 0.9285 3.6391 3.6391 3.6391 3.6391 3.6414 3.6414 3.6414 3.6414 6.5310 6.5310 6.5310 6.5310 6.5332 6.5332 6.5332 6.5332 16.9138 16.9138 16.9138 16.9138 16.9143 16.9143 16.9143 16.9143 k = 0.5000-0.0000 0.2628 ( 1752 PWs) bands (ev): -6.4720 -6.4720 -6.4720 -6.4720 -6.4044 -6.4044 -6.4043 -6.4043 0.9067 0.9067 0.9068 0.9068 0.9483 0.9483 0.9483 0.9483 3.6269 3.6269 3.6270 3.6270 3.6557 3.6557 3.6557 3.6557 6.4715 6.4715 6.4715 6.4715 6.5909 6.5909 6.5910 6.5910 16.9015 16.9015 16.9016 16.9016 16.9248 16.9248 16.9249 16.9249 k = 0.5000-0.0000 0.2546 ( 1756 PWs) bands (ev): -6.5052 -6.5052 -6.5052 -6.5052 -6.3701 -6.3701 -6.3700 -6.3700 0.8847 0.8847 0.8847 0.8847 0.9676 0.9676 0.9676 0.9676 3.6158 3.6158 3.6159 3.6159 3.6730 3.6730 3.6731 3.6731 6.4092 6.4092 6.4093 6.4093 6.6477 6.6477 6.6477 6.6477 16.8867 16.8867 16.8868 16.8868 16.9348 16.9348 16.9348 16.9348 k = 0.5000-0.0000 0.2464 ( 1756 PWs) bands (ev): -6.5379 -6.5379 -6.5379 -6.5379 -6.3355 -6.3355 -6.3355 -6.3355 0.8619 0.8619 0.8619 0.8619 0.9857 0.9857 0.9858 0.9858 3.6069 3.6069 3.6071 3.6071 3.6922 3.6922 3.6923 3.6923 6.3457 6.3457 6.3457 6.3457 6.7022 6.7022 6.7022 6.7022 16.8690 16.8690 16.8691 16.8691 16.9445 16.9445 16.9446 16.9446 k = 0.5000-0.0000 0.2382 ( 1762 PWs) bands (ev): -6.5701 -6.5701 -6.5701 -6.5701 -6.3008 -6.3008 -6.3008 -6.3008 0.8384 0.8384 0.8385 0.8385 1.0028 1.0028 1.0028 1.0028 3.6004 3.6004 3.6005 3.6005 3.7132 3.7132 3.7133 3.7133 6.2810 6.2810 6.2811 6.2811 6.7541 6.7541 6.7541 6.7541 16.8477 16.8477 16.8478 16.8478 16.9549 16.9549 16.9549 16.9549 k = 0.5000-0.0000 0.2299 ( 1762 PWs) bands (ev): -6.6017 -6.6017 -6.6016 -6.6016 -6.2661 -6.2661 -6.2661 -6.2661 0.8144 0.8144 0.8145 0.8145 1.0186 1.0186 1.0186 1.0186 3.5962 3.5962 3.5963 3.5963 3.7358 3.7358 3.7358 3.7358 6.2156 6.2156 6.2156 6.2156 6.8034 6.8034 6.8035 6.8035 16.8226 16.8226 16.8226 16.8226 16.9665 16.9665 16.9665 16.9665 k = 0.5000-0.0000 0.2217 ( 1762 PWs) bands (ev): -6.6325 -6.6325 -6.6325 -6.6325 -6.2313 -6.2313 -6.2313 -6.2313 0.7901 0.7901 0.7901 0.7901 1.0332 1.0332 1.0332 1.0332 3.5943 3.5943 3.5944 3.5944 3.7598 3.7598 3.7599 3.7599 6.1496 6.1496 6.1497 6.1497 6.8499 6.8499 6.8499 6.8499 16.7932 16.7932 16.7933 16.7933 16.9800 16.9800 16.9800 16.9800 k = 0.5000-0.0000 0.2135 ( 1754 PWs) bands (ev): -6.6627 -6.6627 -6.6627 -6.6627 -6.1966 -6.1966 -6.1966 -6.1966 0.7654 0.7654 0.7655 0.7655 1.0465 1.0465 1.0466 1.0466 3.5948 3.5948 3.5949 3.5949 3.7852 3.7852 3.7853 3.7853 6.0834 6.0834 6.0834 6.0834 6.8935 6.8935 6.8935 6.8935 16.7596 16.7596 16.7596 16.7596 16.9960 16.9960 16.9960 16.9960 k = 0.5000-0.0000 0.2053 ( 1760 PWs) bands (ev): -6.6921 -6.6921 -6.6921 -6.6921 -6.1621 -6.1621 -6.1621 -6.1621 0.7406 0.7406 0.7406 0.7406 1.0585 1.0585 1.0586 1.0586 3.5975 3.5975 3.5977 3.5977 3.8117 3.8117 3.8118 3.8118 6.0170 6.0170 6.0170 6.0170 6.9338 6.9338 6.9338 6.9338 16.7216 16.7216 16.7217 16.7217 17.0149 17.0149 17.0150 17.0150 k = 0.5000-0.0000 0.1971 ( 1764 PWs) bands (ev): -6.7207 -6.7207 -6.7207 -6.7207 -6.1279 -6.1279 -6.1279 -6.1279 0.7156 0.7156 0.7157 0.7157 1.0692 1.0692 1.0693 1.0693 3.6025 3.6025 3.6026 3.6026 3.8393 3.8393 3.8393 3.8393 5.9509 5.9509 5.9509 5.9509 6.9709 6.9709 6.9710 6.9710 16.6796 16.6796 16.6796 16.6796 17.0374 17.0374 17.0374 17.0374 k = 0.5000-0.0000 0.1889 ( 1764 PWs) bands (ev): -6.7485 -6.7485 -6.7484 -6.7484 -6.0940 -6.0940 -6.0940 -6.0940 0.6907 0.6907 0.6908 0.6908 1.0786 1.0786 1.0787 1.0787 3.6096 3.6096 3.6098 3.6098 3.8676 3.8676 3.8677 3.8677 5.8852 5.8852 5.8852 5.8852 7.0048 7.0048 7.0049 7.0049 16.6337 16.6337 16.6338 16.6338 17.0636 17.0636 17.0637 17.0637 k = 0.5000-0.0000 0.1807 ( 1764 PWs) bands (ev): -6.7753 -6.7753 -6.7753 -6.7753 -6.0606 -6.0606 -6.0605 -6.0605 0.6660 0.6660 0.6660 0.6660 1.0869 1.0869 1.0870 1.0870 3.6188 3.6188 3.6189 3.6189 3.8967 3.8967 3.8967 3.8967 5.8202 5.8202 5.8203 5.8203 7.0354 7.0354 7.0355 7.0355 16.5845 16.5845 16.5846 16.5846 17.0939 17.0939 17.0939 17.0939 k = 0.5000-0.0000 0.1725 ( 1764 PWs) bands (ev): -6.8012 -6.8012 -6.8012 -6.8012 -6.0276 -6.0276 -6.0276 -6.0276 0.6415 0.6415 0.6415 0.6415 1.0939 1.0939 1.0940 1.0940 3.6299 3.6299 3.6300 3.6300 3.9262 3.9262 3.9263 3.9263 5.7562 5.7562 5.7562 5.7562 7.0628 7.0628 7.0628 7.0628 16.5324 16.5324 16.5325 16.5325 17.1284 17.1284 17.1285 17.1285 k = 0.5000-0.0000 0.1642 ( 1764 PWs) bands (ev): -6.8261 -6.8261 -6.8261 -6.8261 -5.9953 -5.9953 -5.9953 -5.9953 0.6173 0.6173 0.6174 0.6174 1.0999 1.0999 1.0999 1.0999 3.6427 3.6427 3.6428 3.6428 3.9561 3.9561 3.9562 3.9562 5.6932 5.6932 5.6932 5.6932 7.0868 7.0868 7.0869 7.0869 16.4780 16.4780 16.4780 16.4780 17.1674 17.1674 17.1675 17.1675 k = 0.5000-0.0000 0.1560 ( 1758 PWs) bands (ev): -6.8501 -6.8501 -6.8500 -6.8500 -5.9638 -5.9638 -5.9638 -5.9638 0.5936 0.5936 0.5937 0.5937 1.1048 1.1048 1.1048 1.1048 3.6571 3.6571 3.6572 3.6572 3.9862 3.9862 3.9863 3.9863 5.6316 5.6316 5.6317 5.6317 7.1078 7.1078 7.1078 7.1078 16.4218 16.4218 16.4219 16.4219 17.2107 17.2107 17.2108 17.2108 k = 0.5000-0.0000 0.1478 ( 1758 PWs) bands (ev): -6.8729 -6.8729 -6.8729 -6.8729 -5.9331 -5.9331 -5.9330 -5.9330 0.5705 0.5705 0.5705 0.5705 1.1087 1.1087 1.1087 1.1087 3.6729 3.6729 3.6730 3.6730 4.0163 4.0163 4.0164 4.0164 5.5716 5.5716 5.5716 5.5716 7.1256 7.1256 7.1256 7.1256 16.3645 16.3645 16.3646 16.3646 17.2585 17.2585 17.2585 17.2585 k = 0.5000-0.0000 0.1396 ( 1758 PWs) bands (ev): -6.8947 -6.8947 -6.8947 -6.8947 -5.9033 -5.9033 -5.9032 -5.9032 0.5480 0.5480 0.5480 0.5480 1.1117 1.1117 1.1118 1.1118 3.6898 3.6898 3.6899 3.6899 4.0463 4.0463 4.0463 4.0463 5.5132 5.5132 5.5133 5.5133 7.1405 7.1405 7.1405 7.1405 16.3067 16.3067 16.3068 16.3068 17.3104 17.3104 17.3105 17.3105 k = 0.5000-0.0000 0.1314 ( 1766 PWs) bands (ev): -6.9155 -6.9155 -6.9154 -6.9154 -5.8745 -5.8745 -5.8745 -5.8745 0.5262 0.5262 0.5262 0.5262 1.1139 1.1139 1.1140 1.1140 3.7076 3.7076 3.7077 3.7077 4.0760 4.0760 4.0760 4.0760 5.4568 5.4568 5.4568 5.4568 7.1526 7.1526 7.1526 7.1526 16.2490 16.2490 16.2491 16.2491 17.3663 17.3663 17.3664 17.3664 k = 0.5000-0.0000 0.1232 ( 1766 PWs) bands (ev): -6.9350 -6.9350 -6.9350 -6.9350 -5.8468 -5.8468 -5.8468 -5.8468 0.5052 0.5052 0.5053 0.5053 1.1154 1.1154 1.1155 1.1155 3.7262 3.7262 3.7263 3.7263 4.1052 4.1052 4.1052 4.1052 5.4025 5.4025 5.4025 5.4025 7.1622 7.1622 7.1622 7.1622 16.1920 16.1920 16.1921 16.1921 17.4258 17.4258 17.4259 17.4259 k = 0.5000-0.0000 0.1150 ( 1770 PWs) bands (ev): -6.9535 -6.9535 -6.9534 -6.9534 -5.8204 -5.8204 -5.8204 -5.8204 0.4852 0.4852 0.4852 0.4852 1.1163 1.1163 1.1164 1.1164 3.7452 3.7452 3.7453 3.7453 4.1338 4.1338 4.1338 4.1338 5.3504 5.3504 5.3504 5.3504 7.1693 7.1693 7.1693 7.1693 16.1361 16.1361 16.1362 16.1362 17.4886 17.4886 17.4887 17.4887 k = 0.5000-0.0000 0.1068 ( 1774 PWs) bands (ev): -6.9707 -6.9707 -6.9707 -6.9707 -5.7953 -5.7953 -5.7953 -5.7953 0.4661 0.4661 0.4662 0.4662 1.1167 1.1167 1.1168 1.1168 3.7643 3.7643 3.7645 3.7645 4.1617 4.1617 4.1617 4.1617 5.3008 5.3008 5.3008 5.3008 7.1744 7.1744 7.1744 7.1744 16.0820 16.0820 16.0821 16.0821 17.5542 17.5542 17.5542 17.5542 k = 0.5000-0.0000 0.0985 ( 1782 PWs) bands (ev): -6.9868 -6.9868 -6.9868 -6.9868 -5.7716 -5.7716 -5.7716 -5.7716 0.4482 0.4482 0.4482 0.4482 1.1166 1.1166 1.1167 1.1167 3.7834 3.7834 3.7836 3.7836 4.1886 4.1886 4.1886 4.1886 5.2537 5.2537 5.2537 5.2537 7.1775 7.1775 7.1775 7.1775 16.0300 16.0300 16.0300 16.0300 17.6218 17.6218 17.6219 17.6219 k = 0.5000-0.0000 0.0903 ( 1790 PWs) bands (ev): -7.0017 -7.0017 -7.0016 -7.0016 -5.7495 -5.7495 -5.7495 -5.7495 0.4313 0.4313 0.4313 0.4313 1.1162 1.1162 1.1163 1.1163 3.8022 3.8022 3.8024 3.8024 4.2144 4.2144 4.2145 4.2145 5.2093 5.2093 5.2094 5.2094 7.1791 7.1791 7.1791 7.1791 15.9806 15.9806 15.9807 15.9807 17.6908 17.6908 17.6909 17.6909 k = 0.5000-0.0000 0.0821 ( 1786 PWs) bands (ev): -7.0153 -7.0153 -7.0152 -7.0152 -5.7289 -5.7289 -5.7289 -5.7289 0.4157 0.4157 0.4157 0.4157 1.1156 1.1156 1.1156 1.1156 3.8205 3.8205 3.8206 3.8206 4.2391 4.2391 4.2391 4.2391 5.1680 5.1680 5.1680 5.1680 7.1794 7.1794 7.1794 7.1794 15.9342 15.9342 15.9343 15.9343 17.7603 17.7603 17.7604 17.7604 k = 0.5000-0.0000 0.0739 ( 1786 PWs) bands (ev): -7.0276 -7.0276 -7.0276 -7.0276 -5.7100 -5.7100 -5.7100 -5.7100 0.4014 0.4014 0.4014 0.4014 1.1147 1.1147 1.1148 1.1148 3.8379 3.8379 3.8380 3.8380 4.2624 4.2624 4.2624 4.2624 5.1296 5.1296 5.1296 5.1296 7.1786 7.1786 7.1786 7.1786 15.8912 15.8912 15.8913 15.8913 17.8294 17.8294 17.8294 17.8294 k = 0.5000-0.0000 0.0657 ( 1782 PWs) bands (ev): -7.0387 -7.0387 -7.0387 -7.0387 -5.6929 -5.6929 -5.6929 -5.6929 0.3884 0.3884 0.3884 0.3884 1.1138 1.1138 1.1138 1.1138 3.8542 3.8542 3.8544 3.8544 4.2841 4.2841 4.2841 4.2841 5.0944 5.0944 5.0945 5.0945 7.1770 7.1770 7.1770 7.1770 15.8519 15.8519 15.8519 15.8519 17.8968 17.8968 17.8969 17.8969 k = 0.5000-0.0000 0.0575 ( 1786 PWs) bands (ev): -7.0486 -7.0486 -7.0485 -7.0485 -5.6776 -5.6776 -5.6776 -5.6776 0.3768 0.3768 0.3768 0.3768 1.1127 1.1127 1.1128 1.1128 3.8692 3.8692 3.8694 3.8694 4.3040 4.3040 4.3041 4.3041 5.0626 5.0626 5.0627 5.0627 7.1749 7.1749 7.1749 7.1749 15.8165 15.8165 15.8166 15.8166 17.9615 17.9615 17.9616 17.9616 k = 0.5000-0.0000 0.0493 ( 1786 PWs) bands (ev): -7.0571 -7.0571 -7.0571 -7.0571 -5.6642 -5.6642 -5.6642 -5.6642 0.3666 0.3666 0.3666 0.3666 1.1117 1.1117 1.1118 1.1118 3.8828 3.8828 3.8829 3.8829 4.3220 4.3220 4.3221 4.3221 5.0344 5.0344 5.0344 5.0344 7.1725 7.1725 7.1725 7.1725 15.7853 15.7853 15.7854 15.7854 18.0219 18.0219 18.0220 18.0220 k = 0.5000-0.0000 0.0411 ( 1788 PWs) bands (ev): -7.0643 -7.0643 -7.0643 -7.0643 -5.6527 -5.6527 -5.6527 -5.6527 0.3579 0.3579 0.3580 0.3580 1.1108 1.1108 1.1109 1.1109 3.8945 3.8945 3.8947 3.8947 4.3378 4.3378 4.3379 4.3379 5.0099 5.0099 5.0100 5.0100 7.1700 7.1700 7.1700 7.1700 15.7586 15.7586 15.7587 15.7587 18.0767 18.0767 18.0768 18.0768 k = 0.5000-0.0000 0.0328 ( 1776 PWs) bands (ev): -7.0703 -7.0703 -7.0702 -7.0702 -5.6433 -5.6433 -5.6433 -5.6433 0.3508 0.3508 0.3508 0.3508 1.1100 1.1100 1.1101 1.1101 3.9045 3.9045 3.9046 3.9046 4.3513 4.3513 4.3513 4.3513 4.9895 4.9895 4.9896 4.9896 7.1678 7.1678 7.1678 7.1678 15.7365 15.7365 15.7366 15.7366 18.1244 18.1244 18.1245 18.1245 k = 0.5000-0.0000 0.0246 ( 1776 PWs) bands (ev): -7.0749 -7.0749 -7.0749 -7.0749 -5.6359 -5.6359 -5.6359 -5.6359 0.3452 0.3452 0.3452 0.3452 1.1094 1.1094 1.1094 1.1094 3.9123 3.9123 3.9125 3.9125 4.3620 4.3620 4.3620 4.3620 4.9733 4.9733 4.9734 4.9734 7.1658 7.1658 7.1658 7.1658 15.7191 15.7191 15.7192 15.7192 18.1633 18.1633 18.1634 18.1634 k = 0.5000-0.0000 0.0164 ( 1778 PWs) bands (ev): -7.0782 -7.0782 -7.0782 -7.0782 -5.6306 -5.6306 -5.6306 -5.6306 0.3412 0.3412 0.3412 0.3412 1.1089 1.1089 1.1089 1.1089 3.9180 3.9180 3.9181 3.9181 4.3698 4.3698 4.3699 4.3699 4.9616 4.9616 4.9616 4.9616 7.1643 7.1643 7.1643 7.1643 15.7066 15.7066 15.7067 15.7067 18.1923 18.1923 18.1924 18.1924 k = 0.5000-0.0000 0.0082 ( 1782 PWs) bands (ev): -7.0802 -7.0802 -7.0802 -7.0802 -5.6274 -5.6274 -5.6274 -5.6274 0.3388 0.3388 0.3388 0.3388 1.1086 1.1086 1.1086 1.1086 3.9215 3.9215 3.9216 3.9216 4.3746 4.3746 4.3747 4.3747 4.9544 4.9544 4.9545 4.9545 7.1633 7.1633 7.1633 7.1633 15.6991 15.6991 15.6992 15.6992 18.2101 18.2101 18.2102 18.2102 k = 0.5000-0.0000-0.0000 ( 1782 PWs) bands (ev): -7.0809 -7.0809 -7.0808 -7.0808 -5.6263 -5.6263 -5.6263 -5.6263 0.3380 0.3380 0.3380 0.3380 1.1085 1.1085 1.1085 1.1085 3.9226 3.9226 3.9228 3.9228 4.3762 4.3762 4.3763 4.3763 4.9520 4.9520 4.9521 4.9521 7.1630 7.1630 7.1630 7.1630 15.6966 15.6966 15.6967 15.6967 18.2161 18.2161 18.2162 18.2162 k = 0.5000 0.3007-0.0000 ( 1752 PWs) bands (ev): -6.7081 -6.7081 -6.7081 -6.7081 -5.9562 -5.9562 -5.9562 -5.9562 -0.2319 -0.2319 -0.2319 -0.2319 1.5915 1.5915 1.5915 1.5915 2.6093 2.6093 2.6093 2.6093 3.6614 3.6614 3.6614 3.6614 6.8433 6.8433 6.8433 6.8433 8.5102 8.5102 8.5102 8.5102 17.4376 17.4376 17.4376 17.4376 17.8099 17.8099 17.8099 17.8099 k = 0.5000 0.3007 0.0082 ( 1752 PWs) bands (ev): -6.7077 -6.7077 -6.7077 -6.7077 -5.9565 -5.9565 -5.9565 -5.9565 -0.2325 -0.2325 -0.2325 -0.2325 1.5843 1.5843 1.5843 1.5843 2.6172 2.6172 2.6172 2.6172 3.6645 3.6645 3.6645 3.6645 6.8418 6.8418 6.8418 6.8418 8.5083 8.5083 8.5083 8.5083 17.4383 17.4383 17.4383 17.4383 17.8037 17.8037 17.8037 17.8037 k = 0.5000 0.3007 0.0164 ( 1748 PWs) bands (ev): -6.7063 -6.7063 -6.7063 -6.7063 -5.9576 -5.9576 -5.9576 -5.9576 -0.2344 -0.2344 -0.2344 -0.2344 1.5631 1.5631 1.5631 1.5631 2.6403 2.6403 2.6403 2.6403 3.6741 3.6741 3.6741 3.6741 6.8373 6.8373 6.8373 6.8373 8.5026 8.5026 8.5026 8.5026 17.4401 17.4401 17.4401 17.4401 17.7858 17.7858 17.7858 17.7858 k = 0.5000 0.3007 0.0246 ( 1744 PWs) bands (ev): -6.7041 -6.7041 -6.7041 -6.7041 -5.9594 -5.9594 -5.9594 -5.9594 -0.2376 -0.2376 -0.2376 -0.2376 1.5299 1.5299 1.5299 1.5299 2.6768 2.6768 2.6768 2.6768 3.6899 3.6899 3.6899 3.6899 6.8297 6.8297 6.8297 6.8297 8.4930 8.4930 8.4930 8.4930 17.4432 17.4432 17.4432 17.4432 17.7573 17.7573 17.7573 17.7573 k = 0.5000 0.3007 0.0328 ( 1748 PWs) bands (ev): -6.7009 -6.7009 -6.7009 -6.7009 -5.9619 -5.9619 -5.9619 -5.9619 -0.2419 -0.2419 -0.2419 -0.2419 1.4868 1.4868 1.4868 1.4868 2.7244 2.7244 2.7244 2.7244 3.7118 3.7118 3.7118 3.7118 6.8192 6.8192 6.8192 6.8192 8.4795 8.4795 8.4795 8.4795 17.4475 17.4475 17.4475 17.4475 17.7199 17.7199 17.7199 17.7199 k = 0.5000 0.3007 0.0411 ( 1748 PWs) bands (ev): -6.6969 -6.6969 -6.6969 -6.6969 -5.9651 -5.9651 -5.9651 -5.9651 -0.2472 -0.2472 -0.2472 -0.2472 1.4361 1.4361 1.4361 1.4361 2.7809 2.7809 2.7809 2.7809 3.7398 3.7398 3.7398 3.7398 6.8058 6.8058 6.8058 6.8058 8.4620 8.4620 8.4620 8.4620 17.4530 17.4530 17.4530 17.4530 17.6759 17.6759 17.6759 17.6759 k = 0.5000 0.3007 0.0493 ( 1748 PWs) bands (ev): -6.6920 -6.6920 -6.6920 -6.6920 -5.9690 -5.9690 -5.9690 -5.9690 -0.2535 -0.2535 -0.2535 -0.2535 1.3797 1.3797 1.3797 1.3797 2.8444 2.8444 2.8444 2.8444 3.7736 3.7736 3.7736 3.7736 6.7896 6.7896 6.7896 6.7896 8.4407 8.4407 8.4407 8.4407 17.4597 17.4597 17.4597 17.4597 17.6272 17.6272 17.6272 17.6272 k = 0.5000 0.3007 0.0575 ( 1748 PWs) bands (ev): -6.6862 -6.6862 -6.6862 -6.6862 -5.9736 -5.9736 -5.9736 -5.9736 -0.2604 -0.2604 -0.2604 -0.2604 1.3193 1.3193 1.3193 1.3193 2.9133 2.9133 2.9133 2.9133 3.8129 3.8129 3.8129 3.8129 6.7705 6.7705 6.7705 6.7705 8.4154 8.4154 8.4154 8.4154 17.4676 17.4676 17.4676 17.4676 17.5759 17.5759 17.5759 17.5759 k = 0.5000 0.3007 0.0657 ( 1740 PWs) bands (ev): -6.6796 -6.6796 -6.6796 -6.6796 -5.9790 -5.9790 -5.9790 -5.9790 -0.2679 -0.2679 -0.2679 -0.2679 1.2560 1.2560 1.2560 1.2560 2.9863 2.9863 2.9863 2.9863 3.8576 3.8576 3.8576 3.8576 6.7489 6.7489 6.7489 6.7489 8.3862 8.3862 8.3862 8.3862 17.4767 17.4767 17.4767 17.4767 17.5238 17.5238 17.5238 17.5238 k = 0.5000 0.3007 0.0739 ( 1736 PWs) bands (ev): -6.6721 -6.6721 -6.6721 -6.6721 -5.9851 -5.9851 -5.9851 -5.9851 -0.2757 -0.2757 -0.2757 -0.2757 1.1909 1.1909 1.1909 1.1909 3.0625 3.0625 3.0625 3.0625 3.9074 3.9074 3.9074 3.9074 6.7247 6.7247 6.7247 6.7247 8.3530 8.3530 8.3530 8.3530 17.4722 17.4722 17.4722 17.4722 17.4869 17.4869 17.4869 17.4869 k = 0.5000 0.3007 0.0821 ( 1740 PWs) bands (ev): -6.6638 -6.6638 -6.6638 -6.6638 -5.9918 -5.9918 -5.9918 -5.9918 -0.2836 -0.2836 -0.2836 -0.2836 1.1246 1.1246 1.1246 1.1246 3.1410 3.1410 3.1410 3.1410 3.9618 3.9618 3.9618 3.9618 6.6980 6.6980 6.6980 6.6980 8.3157 8.3157 8.3157 8.3157 17.4226 17.4226 17.4226 17.4226 17.4983 17.4983 17.4983 17.4983 k = 0.5000 0.3007 0.0903 ( 1740 PWs) bands (ev): -6.6547 -6.6547 -6.6547 -6.6547 -5.9993 -5.9993 -5.9993 -5.9993 -0.2915 -0.2915 -0.2915 -0.2915 1.0577 1.0577 1.0577 1.0577 3.2215 3.2215 3.2215 3.2215 4.0206 4.0206 4.0206 4.0206 6.6690 6.6690 6.6690 6.6690 8.2744 8.2744 8.2744 8.2744 17.3760 17.3760 17.3760 17.3760 17.5107 17.5107 17.5107 17.5107 k = 0.5000 0.3007 0.0985 ( 1744 PWs) bands (ev): -6.6449 -6.6449 -6.6449 -6.6449 -6.0075 -6.0075 -6.0075 -6.0075 -0.2991 -0.2991 -0.2991 -0.2991 0.9906 0.9906 0.9906 0.9906 3.3033 3.3033 3.3033 3.3033 4.0834 4.0834 4.0834 4.0834 6.6379 6.6379 6.6379 6.6379 8.2290 8.2290 8.2290 8.2290 17.3333 17.3333 17.3333 17.3333 17.5243 17.5243 17.5243 17.5243 k = 0.5000 0.3007 0.1068 ( 1744 PWs) bands (ev): -6.6342 -6.6342 -6.6342 -6.6342 -6.0164 -6.0164 -6.0164 -6.0164 -0.3062 -0.3062 -0.3062 -0.3062 0.9238 0.9238 0.9238 0.9238 3.3862 3.3862 3.3862 3.3862 4.1498 4.1498 4.1498 4.1498 6.6050 6.6050 6.6050 6.6050 8.1797 8.1797 8.1797 8.1797 17.2953 17.2953 17.2953 17.2953 17.5388 17.5388 17.5388 17.5388 k = 0.5000 0.3007 0.1150 ( 1740 PWs) bands (ev): -6.6229 -6.6229 -6.6229 -6.6229 -6.0259 -6.0259 -6.0259 -6.0259 -0.3126 -0.3126 -0.3126 -0.3126 0.8575 0.8575 0.8575 0.8575 3.4698 3.4698 3.4698 3.4698 4.2194 4.2194 4.2194 4.2194 6.5704 6.5704 6.5704 6.5704 8.1264 8.1264 8.1264 8.1264 17.2624 17.2624 17.2624 17.2624 17.5543 17.5543 17.5543 17.5543 k = 0.5000 0.3007 0.1232 ( 1740 PWs) bands (ev): -6.6108 -6.6108 -6.6108 -6.6108 -6.0362 -6.0362 -6.0362 -6.0362 -0.3181 -0.3181 -0.3181 -0.3181 0.7919 0.7919 0.7919 0.7919 3.5539 3.5539 3.5539 3.5539 4.2916 4.2916 4.2916 4.2916 6.5346 6.5346 6.5346 6.5346 8.0692 8.0692 8.0692 8.0692 17.2352 17.2352 17.2352 17.2352 17.5707 17.5707 17.5707 17.5707 k = 0.5000 0.3007 0.1314 ( 1744 PWs) bands (ev): -6.5980 -6.5980 -6.5980 -6.5980 -6.0471 -6.0471 -6.0471 -6.0471 -0.3226 -0.3226 -0.3226 -0.3226 0.7273 0.7273 0.7273 0.7273 3.6383 3.6383 3.6383 3.6383 4.3660 4.3660 4.3660 4.3660 6.4977 6.4977 6.4977 6.4977 8.0081 8.0081 8.0081 8.0081 17.2140 17.2140 17.2140 17.2140 17.5879 17.5879 17.5879 17.5879 k = 0.5000 0.3007 0.1396 ( 1744 PWs) bands (ev): -6.5846 -6.5846 -6.5846 -6.5846 -6.0587 -6.0587 -6.0587 -6.0587 -0.3258 -0.3258 -0.3258 -0.3258 0.6638 0.6638 0.6638 0.6638 3.7227 3.7227 3.7227 3.7227 4.4419 4.4419 4.4419 4.4419 6.4603 6.4603 6.4603 6.4603 7.9433 7.9433 7.9433 7.9433 17.1991 17.1991 17.1991 17.1991 17.6058 17.6058 17.6058 17.6058 k = 0.5000 0.3007 0.1478 ( 1748 PWs) bands (ev): -6.5706 -6.5706 -6.5706 -6.5706 -6.0709 -6.0709 -6.0709 -6.0709 -0.3276 -0.3276 -0.3276 -0.3276 0.6015 0.6015 0.6015 0.6015 3.8071 3.8071 3.8071 3.8071 4.5186 4.5186 4.5186 4.5186 6.4228 6.4228 6.4228 6.4228 7.8749 7.8749 7.8749 7.8749 17.1906 17.1906 17.1906 17.1906 17.6242 17.6242 17.6242 17.6242 k = 0.5000 0.3007 0.1560 ( 1744 PWs) bands (ev): -6.5560 -6.5560 -6.5560 -6.5560 -6.0837 -6.0837 -6.0837 -6.0837 -0.3278 -0.3278 -0.3278 -0.3278 0.5407 0.5407 0.5407 0.5407 3.8911 3.8911 3.8911 3.8911 4.5954 4.5954 4.5954 4.5954 6.3860 6.3860 6.3860 6.3860 7.8031 7.8031 7.8031 7.8031 17.1888 17.1888 17.1888 17.1888 17.6431 17.6431 17.6431 17.6431 k = 0.5000 0.3007 0.1642 ( 1740 PWs) bands (ev): -6.5409 -6.5409 -6.5409 -6.5409 -6.0972 -6.0972 -6.0972 -6.0972 -0.3263 -0.3263 -0.3263 -0.3263 0.4814 0.4814 0.4814 0.4814 3.9747 3.9747 3.9747 3.9747 4.6712 4.6712 4.6712 4.6712 6.3506 6.3506 6.3506 6.3506 7.7279 7.7279 7.7279 7.7279 17.1935 17.1935 17.1935 17.1935 17.6622 17.6622 17.6622 17.6622 k = 0.5000 0.3007 0.1725 ( 1736 PWs) bands (ev): -6.5252 -6.5252 -6.5252 -6.5252 -6.1112 -6.1112 -6.1112 -6.1112 -0.3230 -0.3230 -0.3230 -0.3230 0.4237 0.4237 0.4237 0.4237 4.0577 4.0577 4.0577 4.0577 4.7448 4.7448 4.7448 4.7448 6.3178 6.3178 6.3178 6.3178 7.6497 7.6497 7.6497 7.6497 17.2047 17.2047 17.2047 17.2047 17.6813 17.6813 17.6813 17.6813 k = 0.5000 0.3007 0.1807 ( 1740 PWs) bands (ev): -6.5090 -6.5090 -6.5090 -6.5090 -6.1258 -6.1258 -6.1258 -6.1258 -0.3178 -0.3178 -0.3178 -0.3178 0.3678 0.3678 0.3678 0.3678 4.1398 4.1398 4.1398 4.1398 4.8147 4.8147 4.8147 4.8147 6.2886 6.2886 6.2886 6.2886 7.5686 7.5686 7.5686 7.5686 17.2224 17.2224 17.2224 17.2224 17.7001 17.7001 17.7001 17.7001 k = 0.5000 0.3007 0.1889 ( 1736 PWs) bands (ev): -6.4925 -6.4925 -6.4925 -6.4925 -6.1409 -6.1409 -6.1409 -6.1409 -0.3105 -0.3105 -0.3105 -0.3105 0.3136 0.3136 0.3136 0.3136 4.2210 4.2210 4.2210 4.2210 4.8795 4.8795 4.8795 4.8795 6.2647 6.2647 6.2647 6.2647 7.4849 7.4849 7.4849 7.4849 17.2462 17.2462 17.2462 17.2462 17.7181 17.7181 17.7181 17.7181 k = 0.5000 0.3007 0.1971 ( 1740 PWs) bands (ev): -6.4755 -6.4755 -6.4755 -6.4755 -6.1565 -6.1565 -6.1565 -6.1565 -0.3012 -0.3012 -0.3012 -0.3012 0.2613 0.2613 0.2613 0.2613 4.3011 4.3011 4.3011 4.3011 4.9368 4.9368 4.9368 4.9368 6.2480 6.2480 6.2480 6.2480 7.3990 7.3990 7.3990 7.3990 17.2759 17.2759 17.2759 17.2759 17.7350 17.7350 17.7350 17.7350 k = 0.5000 0.3007 0.2053 ( 1748 PWs) bands (ev): -6.4582 -6.4582 -6.4582 -6.4582 -6.1725 -6.1725 -6.1725 -6.1725 -0.2897 -0.2897 -0.2897 -0.2897 0.2110 0.2110 0.2110 0.2110 4.3797 4.3797 4.3797 4.3797 4.9848 4.9848 4.9848 4.9848 6.2403 6.2403 6.2403 6.2403 7.3110 7.3110 7.3110 7.3110 17.3111 17.3111 17.3111 17.3111 17.7500 17.7500 17.7500 17.7500 k = 0.5000 0.3007 0.2135 ( 1752 PWs) bands (ev): -6.4406 -6.4406 -6.4406 -6.4406 -6.1890 -6.1890 -6.1890 -6.1890 -0.2759 -0.2759 -0.2759 -0.2759 0.1627 0.1627 0.1627 0.1627 4.4568 4.4568 4.4568 4.4568 5.0212 5.0212 5.0212 5.0212 6.2436 6.2436 6.2436 6.2436 7.2216 7.2216 7.2216 7.2216 17.3512 17.3512 17.3512 17.3512 17.7624 17.7624 17.7624 17.7624 k = 0.5000 0.3007 0.2217 ( 1752 PWs) bands (ev): -6.4228 -6.4228 -6.4228 -6.4228 -6.2059 -6.2059 -6.2059 -6.2059 -0.2598 -0.2598 -0.2598 -0.2598 0.1165 0.1165 0.1165 0.1165 4.5319 4.5319 4.5319 4.5319 5.0445 5.0445 5.0445 5.0445 6.2595 6.2595 6.2595 6.2595 7.1310 7.1310 7.1310 7.1310 17.3956 17.3956 17.3956 17.3956 17.7712 17.7712 17.7712 17.7712 k = 0.5000 0.3007 0.2299 ( 1760 PWs) bands (ev): -6.4047 -6.4047 -6.4047 -6.4047 -6.2231 -6.2231 -6.2231 -6.2231 -0.2415 -0.2415 -0.2415 -0.2415 0.0724 0.0724 0.0724 0.0724 4.6048 4.6048 4.6048 4.6048 5.0538 5.0538 5.0538 5.0538 6.2885 6.2885 6.2885 6.2885 7.0398 7.0398 7.0398 7.0398 17.4433 17.4433 17.4433 17.4433 17.7752 17.7752 17.7752 17.7752 k = 0.5000 0.3007 0.2382 ( 1756 PWs) bands (ev): -6.3865 -6.3865 -6.3865 -6.3865 -6.2406 -6.2406 -6.2406 -6.2406 -0.2207 -0.2207 -0.2207 -0.2207 0.0306 0.0306 0.0306 0.0306 4.6750 4.6750 4.6750 4.6750 5.0493 5.0493 5.0493 5.0493 6.3304 6.3304 6.3304 6.3304 6.9486 6.9486 6.9486 6.9486 17.4933 17.4933 17.4933 17.4933 17.7730 17.7730 17.7730 17.7730 k = 0.5000 0.3007 0.2464 ( 1756 PWs) bands (ev): -6.3681 -6.3681 -6.3681 -6.3681 -6.2584 -6.2584 -6.2584 -6.2584 -0.1976 -0.1976 -0.1976 -0.1976 -0.0090 -0.0090 -0.0090 -0.0090 4.7422 4.7422 4.7422 4.7422 5.0319 5.0319 5.0319 5.0319 6.3841 6.3841 6.3841 6.3841 6.8580 6.8580 6.8580 6.8580 17.5441 17.5441 17.5441 17.5441 17.7634 17.7634 17.7634 17.7634 k = 0.5000 0.3007 0.2546 ( 1756 PWs) bands (ev): -6.3497 -6.3497 -6.3497 -6.3497 -6.2764 -6.2764 -6.2764 -6.2764 -0.1721 -0.1721 -0.1721 -0.1721 -0.0463 -0.0463 -0.0463 -0.0463 4.8055 4.8055 4.8055 4.8055 5.0030 5.0030 5.0030 5.0030 6.4480 6.4480 6.4480 6.4480 6.7688 6.7688 6.7688 6.7688 17.5941 17.5941 17.5941 17.5941 17.7454 17.7454 17.7454 17.7454 k = 0.5000 0.3007 0.2628 ( 1752 PWs) bands (ev): -6.3313 -6.3313 -6.3313 -6.3313 -6.2946 -6.2946 -6.2946 -6.2946 -0.1442 -0.1442 -0.1442 -0.1442 -0.0813 -0.0813 -0.0813 -0.0813 4.8643 4.8643 4.8643 4.8643 4.9645 4.9645 4.9645 4.9645 6.5200 6.5200 6.5200 6.5200 6.6820 6.6820 6.6820 6.6820 17.6412 17.6412 17.6412 17.6412 17.7185 17.7185 17.7185 17.7185 k = 0.5000 0.3007 0.2710 ( 1752 PWs) bands (ev): -6.3130 -6.3130 -6.3130 -6.3130 -6.3128 -6.3128 -6.3128 -6.3128 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 -0.1139 4.9153 4.9153 4.9154 4.9154 4.9201 4.9201 4.9201 4.9201 6.5964 6.5964 6.5964 6.5964 6.6007 6.6007 6.6007 6.6007 17.6831 17.6831 17.6831 17.6831 17.6835 17.6835 17.6835 17.6835 Writing output data file BN.save init_run : 1.60s CPU 11.72s WALL ( 1 calls) electrons : 393.35s CPU 400.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 393.31s CPU 399.90s WALL ( 1 calls) v_of_rho : 0.25s CPU 1.00s WALL ( 1 calls) v_h : 0.09s CPU 0.09s WALL ( 1 calls) v_xc : 0.16s CPU 0.60s WALL ( 1 calls) newd : 0.09s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 536 calls) cegterg : 357.41s CPU 360.52s WALL ( 1061 calls) Called by sum_band: Called by *egterg: h_psi : 141.16s CPU 148.89s WALL ( 17473 calls) s_psi : 11.25s CPU 12.71s WALL ( 17473 calls) g_psi : 0.23s CPU 0.45s WALL ( 15876 calls) cdiaghg : 157.79s CPU 155.71s WALL ( 16412 calls) cegterg:over : 32.67s CPU 28.19s WALL ( 15876 calls) cegterg:upda : 2.72s CPU 5.88s WALL ( 15876 calls) cegterg:last : 3.26s CPU 4.22s WALL ( 2669 calls) Called by h_psi: h_psi:vloc : 103.83s CPU 111.64s WALL ( 17473 calls) h_psi:vnl : 37.23s CPU 36.81s WALL ( 17473 calls) add_vuspsi : 6.49s CPU 10.54s WALL ( 17473 calls) General routines calbec : 30.70s CPU 26.12s WALL ( 17473 calls) fft : 0.47s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 98.33s CPU 104.70s WALL ( 1323900 calls) interpolate : 0.05s CPU 0.10s WALL ( 4 calls) davcio : 0.04s CPU 1.45s WALL ( 1072 calls) Parallel routines fft_scatter : 72.75s CPU 77.07s WALL ( 1323923 calls) PWSCF : 7m19.79s CPU 9m34.91s WALL This run was terminated on: 15:33:29 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=