Program PWSCF v.5.1.1 starts on 25May2015 at 2:30:36 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: ./ZrSe3.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 32 22 6 1990 1120 176 Max 33 23 7 2001 1140 184 Sum 1561 1063 315 95697 54357 8637 bravais-lattice index = 14 lattice parameter (alat) = 7.1243 a.u. unit-cell volume = 1289.4827 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 268.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.124267 celldm(2)= 1.435013 celldm(3)= 2.506631 celldm(4)= 0.130872 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 1.435013 0.000000 ) a(3) = ( 0.000000 0.328049 2.485072 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.696858 -0.091991 ) b(3) = ( 0.000000 0.000000 0.402403 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 12.00 91.22400 Zr( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0000000 0.0000000 0.0118354), wk = 0.0037736 k( 3) = ( 0.0000000 0.0000000 0.0236708), wk = 0.0037736 k( 4) = ( 0.0000000 0.0000000 0.0355061), wk = 0.0037736 k( 5) = ( 0.0000000 0.0000000 0.0473415), wk = 0.0037736 k( 6) = ( 0.0000000 0.0000000 0.0591769), wk = 0.0037736 k( 7) = ( 0.0000000 0.0000000 0.0710123), wk = 0.0037736 k( 8) = ( 0.0000000 0.0000000 0.0828476), wk = 0.0037736 k( 9) = ( 0.0000000 0.0000000 0.0946830), wk = 0.0037736 k( 10) = ( 0.0000000 0.0000000 0.1065184), wk = 0.0037736 k( 11) = ( 0.0000000 0.0000000 0.1183538), wk = 0.0037736 k( 12) = ( 0.0000000 0.0000000 0.1301891), wk = 0.0037736 k( 13) = ( 0.0000000 0.0000000 0.1420245), wk = 0.0037736 k( 14) = ( 0.0000000 0.0000000 0.1538599), wk = 0.0037736 k( 15) = ( 0.0000000 0.0000000 0.1656953), wk = 0.0037736 k( 16) = ( 0.0000000 0.0000000 0.1775306), wk = 0.0037736 k( 17) = ( 0.0000000 0.0000000 0.1893660), wk = 0.0037736 k( 18) = ( 0.0000000 0.0000000 0.2012014), wk = 0.0037736 k( 19) = ( 0.0000000 0.0000000 0.2012014), wk = 0.0037736 k( 20) = ( 0.0000000 0.0117122 0.2012014), wk = 0.0037736 k( 21) = ( 0.0000000 0.0234243 0.2012014), wk = 0.0037736 k( 22) = ( 0.0000000 0.0351365 0.2012014), wk = 0.0037736 k( 23) = ( 0.0000000 0.0468486 0.2012014), wk = 0.0037736 k( 24) = ( 0.0000000 0.0585608 0.2012014), wk = 0.0037736 k( 25) = ( 0.0000000 0.0702730 0.2012014), wk = 0.0037736 k( 26) = ( 0.0000000 0.0819851 0.2012014), wk = 0.0037736 k( 27) = ( 0.0000000 0.0936973 0.2012014), wk = 0.0037736 k( 28) = ( 0.0000000 0.1054094 0.2012014), wk = 0.0037736 k( 29) = ( 0.0000000 0.1171216 0.2012014), wk = 0.0037736 k( 30) = ( 0.0000000 0.1288337 0.2012014), wk = 0.0037736 k( 31) = ( 0.0000000 0.1405459 0.2012014), wk = 0.0037736 k( 32) = ( 0.0000000 0.1522581 0.2012014), wk = 0.0037736 k( 33) = ( 0.0000000 0.1639702 0.2012014), wk = 0.0037736 k( 34) = ( 0.0000000 0.1756824 0.2012014), wk = 0.0037736 k( 35) = ( 0.0000000 0.1873945 0.2012014), wk = 0.0037736 k( 36) = ( 0.0000000 0.1991067 0.2012014), wk = 0.0037736 k( 37) = ( 0.0000000 0.2108189 0.2012014), wk = 0.0037736 k( 38) = ( 0.0000000 0.2225310 0.2012014), wk = 0.0037736 k( 39) = ( 0.0000000 0.2342432 0.2012014), wk = 0.0037736 k( 40) = ( 0.0000000 0.2459553 0.2012014), wk = 0.0037736 k( 41) = ( 0.0000000 0.2576675 0.2012014), wk = 0.0037736 k( 42) = ( 0.0000000 0.2693796 0.2012014), wk = 0.0037736 k( 43) = ( 0.0000000 0.2810918 0.2012014), wk = 0.0037736 k( 44) = ( 0.0000000 0.2928040 0.2012014), wk = 0.0037736 k( 45) = ( 0.0000000 0.3045161 0.2012014), wk = 0.0037736 k( 46) = ( 0.0000000 0.3162283 0.2012014), wk = 0.0037736 k( 47) = ( 0.0000000 0.3279404 0.2012014), wk = 0.0037736 k( 48) = ( 0.0000000 0.3279404 0.2012014), wk = 0.0037736 k( 49) = ( 0.0000000 0.3320381 0.1920023), wk = 0.0037736 k( 50) = ( 0.0000000 0.3361358 0.1828033), wk = 0.0037736 k( 51) = ( 0.0000000 0.3402335 0.1736042), wk = 0.0037736 k( 52) = ( 0.0000000 0.3443312 0.1644052), wk = 0.0037736 k( 53) = ( 0.0000000 0.3484288 0.1552061), wk = 0.0037736 k( 54) = ( 0.0000000 0.3484288 0.1552061), wk = 0.0037736 k( 55) = ( 0.0119048 0.3484288 0.1552061), wk = 0.0037736 k( 56) = ( 0.0238095 0.3484288 0.1552061), wk = 0.0037736 k( 57) = ( 0.0357143 0.3484288 0.1552061), wk = 0.0037736 k( 58) = ( 0.0476191 0.3484288 0.1552061), wk = 0.0037736 k( 59) = ( 0.0595238 0.3484288 0.1552061), wk = 0.0037736 k( 60) = ( 0.0714286 0.3484288 0.1552061), wk = 0.0037736 k( 61) = ( 0.0833333 0.3484288 0.1552061), wk = 0.0037736 k( 62) = ( 0.0952381 0.3484288 0.1552061), wk = 0.0037736 k( 63) = ( 0.1071429 0.3484288 0.1552061), wk = 0.0037736 k( 64) = ( 0.1190476 0.3484288 0.1552061), wk = 0.0037736 k( 65) = ( 0.1309524 0.3484288 0.1552061), wk = 0.0037736 k( 66) = ( 0.1428571 0.3484288 0.1552061), wk = 0.0037736 k( 67) = ( 0.1547619 0.3484288 0.1552061), wk = 0.0037736 k( 68) = ( 0.1666667 0.3484288 0.1552061), wk = 0.0037736 k( 69) = ( 0.1785714 0.3484288 0.1552061), wk = 0.0037736 k( 70) = ( 0.1904762 0.3484288 0.1552061), wk = 0.0037736 k( 71) = ( 0.2023810 0.3484288 0.1552061), wk = 0.0037736 k( 72) = ( 0.2142857 0.3484288 0.1552061), wk = 0.0037736 k( 73) = ( 0.2261905 0.3484288 0.1552061), wk = 0.0037736 k( 74) = ( 0.2380952 0.3484288 0.1552061), wk = 0.0037736 k( 75) = ( 0.2500000 0.3484288 0.1552061), wk = 0.0037736 k( 76) = ( 0.2619048 0.3484288 0.1552061), wk = 0.0037736 k( 77) = ( 0.2738095 0.3484288 0.1552061), wk = 0.0037736 k( 78) = ( 0.2857143 0.3484288 0.1552061), wk = 0.0037736 k( 79) = ( 0.2976190 0.3484288 0.1552061), wk = 0.0037736 k( 80) = ( 0.3095238 0.3484288 0.1552061), wk = 0.0037736 k( 81) = ( 0.3214286 0.3484288 0.1552061), wk = 0.0037736 k( 82) = ( 0.3333333 0.3484288 0.1552061), wk = 0.0037736 k( 83) = ( 0.3452381 0.3484288 0.1552061), wk = 0.0037736 k( 84) = ( 0.3571429 0.3484288 0.1552061), wk = 0.0037736 k( 85) = ( 0.3690476 0.3484288 0.1552061), wk = 0.0037736 k( 86) = ( 0.3809524 0.3484288 0.1552061), wk = 0.0037736 k( 87) = ( 0.3928571 0.3484288 0.1552061), wk = 0.0037736 k( 88) = ( 0.4047619 0.3484288 0.1552061), wk = 0.0037736 k( 89) = ( 0.4166667 0.3484288 0.1552061), wk = 0.0037736 k( 90) = ( 0.4285714 0.3484288 0.1552061), wk = 0.0037736 k( 91) = ( 0.4404762 0.3484288 0.1552061), wk = 0.0037736 k( 92) = ( 0.4523810 0.3484288 0.1552061), wk = 0.0037736 k( 93) = ( 0.4642857 0.3484288 0.1552061), wk = 0.0037736 k( 94) = ( 0.4761905 0.3484288 0.1552061), wk = 0.0037736 k( 95) = ( 0.4880952 0.3484288 0.1552061), wk = 0.0037736 k( 96) = ( 0.5000000 0.3484288 0.1552061), wk = 0.0037736 k( 97) = ( 0.5000000 0.3484288 0.1552061), wk = 0.0037736 k( 98) = ( 0.5000000 0.3525265 0.1460071), wk = 0.0037736 k( 99) = ( 0.5000000 0.3566242 0.1368080), wk = 0.0037736 k( 100) = ( 0.5000000 0.3607219 0.1276090), wk = 0.0037736 k( 101) = ( 0.5000000 0.3648195 0.1184099), wk = 0.0037736 k( 102) = ( 0.5000000 0.3689172 0.1092109), wk = 0.0037736 k( 103) = ( 0.5000000 0.3689172 0.1092109), wk = 0.0037736 k( 104) = ( 0.5000000 0.3674538 0.0981247), wk = 0.0037736 k( 105) = ( 0.5000000 0.3659903 0.0870386), wk = 0.0037736 k( 106) = ( 0.5000000 0.3645269 0.0759524), wk = 0.0037736 k( 107) = ( 0.5000000 0.3630634 0.0648662), wk = 0.0037736 k( 108) = ( 0.5000000 0.3615999 0.0537801), wk = 0.0037736 k( 109) = ( 0.5000000 0.3601365 0.0426939), wk = 0.0037736 k( 110) = ( 0.5000000 0.3586730 0.0316078), wk = 0.0037736 k( 111) = ( 0.5000000 0.3572096 0.0205216), wk = 0.0037736 k( 112) = ( 0.5000000 0.3557461 0.0094355), wk = 0.0037736 k( 113) = ( 0.5000000 0.3542827 -0.0016507), wk = 0.0037736 k( 114) = ( 0.5000000 0.3528192 -0.0127368), wk = 0.0037736 k( 115) = ( 0.5000000 0.3513557 -0.0238230), wk = 0.0037736 k( 116) = ( 0.5000000 0.3498923 -0.0349091), wk = 0.0037736 k( 117) = ( 0.5000000 0.3484288 -0.0459953), wk = 0.0037736 k( 118) = ( 0.5000000 0.3484288 -0.0459953), wk = 0.0037736 k( 119) = ( 0.4880952 0.3484288 -0.0459953), wk = 0.0037736 k( 120) = ( 0.4761905 0.3484288 -0.0459953), wk = 0.0037736 k( 121) = ( 0.4642857 0.3484288 -0.0459953), wk = 0.0037736 k( 122) = ( 0.4523810 0.3484288 -0.0459953), wk = 0.0037736 k( 123) = ( 0.4404762 0.3484288 -0.0459953), wk = 0.0037736 k( 124) = ( 0.4285714 0.3484288 -0.0459953), wk = 0.0037736 k( 125) = ( 0.4166667 0.3484288 -0.0459953), wk = 0.0037736 k( 126) = ( 0.4047619 0.3484288 -0.0459953), wk = 0.0037736 k( 127) = ( 0.3928571 0.3484288 -0.0459953), wk = 0.0037736 k( 128) = ( 0.3809524 0.3484288 -0.0459953), wk = 0.0037736 k( 129) = ( 0.3690476 0.3484288 -0.0459953), wk = 0.0037736 k( 130) = ( 0.3571429 0.3484288 -0.0459953), wk = 0.0037736 k( 131) = ( 0.3452381 0.3484288 -0.0459953), wk = 0.0037736 k( 132) = ( 0.3333333 0.3484288 -0.0459953), wk = 0.0037736 k( 133) = ( 0.3214286 0.3484288 -0.0459953), wk = 0.0037736 k( 134) = ( 0.3095238 0.3484288 -0.0459953), wk = 0.0037736 k( 135) = ( 0.2976190 0.3484288 -0.0459953), wk = 0.0037736 k( 136) = ( 0.2857143 0.3484288 -0.0459953), wk = 0.0037736 k( 137) = ( 0.2738095 0.3484288 -0.0459953), wk = 0.0037736 k( 138) = ( 0.2619048 0.3484288 -0.0459953), wk = 0.0037736 k( 139) = ( 0.2500000 0.3484288 -0.0459953), wk = 0.0037736 k( 140) = ( 0.2380952 0.3484288 -0.0459953), wk = 0.0037736 k( 141) = ( 0.2261905 0.3484288 -0.0459953), wk = 0.0037736 k( 142) = ( 0.2142857 0.3484288 -0.0459953), wk = 0.0037736 k( 143) = ( 0.2023810 0.3484288 -0.0459953), wk = 0.0037736 k( 144) = ( 0.1904762 0.3484288 -0.0459953), wk = 0.0037736 k( 145) = ( 0.1785714 0.3484288 -0.0459953), wk = 0.0037736 k( 146) = ( 0.1666667 0.3484288 -0.0459953), wk = 0.0037736 k( 147) = ( 0.1547619 0.3484288 -0.0459953), wk = 0.0037736 k( 148) = ( 0.1428571 0.3484288 -0.0459953), wk = 0.0037736 k( 149) = ( 0.1309524 0.3484288 -0.0459953), wk = 0.0037736 k( 150) = ( 0.1190476 0.3484288 -0.0459953), wk = 0.0037736 k( 151) = ( 0.1071429 0.3484288 -0.0459953), wk = 0.0037736 k( 152) = ( 0.0952381 0.3484288 -0.0459953), wk = 0.0037736 k( 153) = ( 0.0833333 0.3484288 -0.0459953), wk = 0.0037736 k( 154) = ( 0.0714286 0.3484288 -0.0459953), wk = 0.0037736 k( 155) = ( 0.0595238 0.3484288 -0.0459953), wk = 0.0037736 k( 156) = ( 0.0476191 0.3484288 -0.0459953), wk = 0.0037736 k( 157) = ( 0.0357143 0.3484288 -0.0459953), wk = 0.0037736 k( 158) = ( 0.0238095 0.3484288 -0.0459953), wk = 0.0037736 k( 159) = ( 0.0119048 0.3484288 -0.0459953), wk = 0.0037736 k( 160) = ( 0.0000000 0.3484288 -0.0459953), wk = 0.0037736 k( 161) = ( 0.0000000 0.3484288 -0.0459953), wk = 0.0037736 k( 162) = ( 0.0000000 0.3498923 -0.0349091), wk = 0.0037736 k( 163) = ( 0.0000000 0.3513557 -0.0238230), wk = 0.0037736 k( 164) = ( 0.0000000 0.3528192 -0.0127368), wk = 0.0037736 k( 165) = ( 0.0000000 0.3542827 -0.0016507), wk = 0.0037736 k( 166) = ( 0.0000000 0.3557461 0.0094355), wk = 0.0037736 k( 167) = ( 0.0000000 0.3572096 0.0205216), wk = 0.0037736 k( 168) = ( 0.0000000 0.3586730 0.0316078), wk = 0.0037736 k( 169) = ( 0.0000000 0.3601365 0.0426939), wk = 0.0037736 k( 170) = ( 0.0000000 0.3615999 0.0537801), wk = 0.0037736 k( 171) = ( 0.0000000 0.3630634 0.0648662), wk = 0.0037736 k( 172) = ( 0.0000000 0.3645269 0.0759524), wk = 0.0037736 k( 173) = ( 0.0000000 0.3659903 0.0870386), wk = 0.0037736 k( 174) = ( 0.0000000 0.3674538 0.0981247), wk = 0.0037736 k( 175) = ( 0.0000000 0.3689172 0.1092109), wk = 0.0037736 k( 176) = ( 0.5000000 0.3279404 0.2012014), wk = 0.0037736 k( 177) = ( 0.5000000 0.3162283 0.2012014), wk = 0.0037736 k( 178) = ( 0.5000000 0.3045161 0.2012014), wk = 0.0037736 k( 179) = ( 0.5000000 0.2928040 0.2012014), wk = 0.0037736 k( 180) = ( 0.5000000 0.2810918 0.2012014), wk = 0.0037736 k( 181) = ( 0.5000000 0.2693796 0.2012014), wk = 0.0037736 k( 182) = ( 0.5000000 0.2576675 0.2012014), wk = 0.0037736 k( 183) = ( 0.5000000 0.2459553 0.2012014), wk = 0.0037736 k( 184) = ( 0.5000000 0.2342432 0.2012014), wk = 0.0037736 k( 185) = ( 0.5000000 0.2225310 0.2012014), wk = 0.0037736 k( 186) = ( 0.5000000 0.2108189 0.2012014), wk = 0.0037736 k( 187) = ( 0.5000000 0.1991067 0.2012014), wk = 0.0037736 k( 188) = ( 0.5000000 0.1873945 0.2012014), wk = 0.0037736 k( 189) = ( 0.5000000 0.1756824 0.2012014), wk = 0.0037736 k( 190) = ( 0.5000000 0.1639702 0.2012014), wk = 0.0037736 k( 191) = ( 0.5000000 0.1522581 0.2012014), wk = 0.0037736 k( 192) = ( 0.5000000 0.1405459 0.2012014), wk = 0.0037736 k( 193) = ( 0.5000000 0.1288337 0.2012014), wk = 0.0037736 k( 194) = ( 0.5000000 0.1171216 0.2012014), wk = 0.0037736 k( 195) = ( 0.5000000 0.1054094 0.2012014), wk = 0.0037736 k( 196) = ( 0.5000000 0.0936973 0.2012014), wk = 0.0037736 k( 197) = ( 0.5000000 0.0819851 0.2012014), wk = 0.0037736 k( 198) = ( 0.5000000 0.0702730 0.2012014), wk = 0.0037736 k( 199) = ( 0.5000000 0.0585608 0.2012014), wk = 0.0037736 k( 200) = ( 0.5000000 0.0468486 0.2012014), wk = 0.0037736 k( 201) = ( 0.5000000 0.0351365 0.2012014), wk = 0.0037736 k( 202) = ( 0.5000000 0.0234243 0.2012014), wk = 0.0037736 k( 203) = ( 0.5000000 0.0117122 0.2012014), wk = 0.0037736 k( 204) = ( 0.5000000 -0.0000000 0.2012014), wk = 0.0037736 k( 205) = ( 0.5000000 -0.0000000 0.2012014), wk = 0.0037736 k( 206) = ( 0.5000000 -0.0000000 0.1893660), wk = 0.0037736 k( 207) = ( 0.5000000 -0.0000000 0.1775306), wk = 0.0037736 k( 208) = ( 0.5000000 -0.0000000 0.1656953), wk = 0.0037736 k( 209) = ( 0.5000000 -0.0000000 0.1538599), wk = 0.0037736 k( 210) = ( 0.5000000 -0.0000000 0.1420245), wk = 0.0037736 k( 211) = ( 0.5000000 -0.0000000 0.1301891), wk = 0.0037736 k( 212) = ( 0.5000000 -0.0000000 0.1183538), wk = 0.0037736 k( 213) = ( 0.5000000 -0.0000000 0.1065184), wk = 0.0037736 k( 214) = ( 0.5000000 -0.0000000 0.0946830), wk = 0.0037736 k( 215) = ( 0.5000000 -0.0000000 0.0828476), wk = 0.0037736 k( 216) = ( 0.5000000 -0.0000000 0.0710123), wk = 0.0037736 k( 217) = ( 0.5000000 -0.0000000 0.0591769), wk = 0.0037736 k( 218) = ( 0.5000000 -0.0000000 0.0473415), wk = 0.0037736 k( 219) = ( 0.5000000 -0.0000000 0.0355061), wk = 0.0037736 k( 220) = ( 0.5000000 -0.0000000 0.0236708), wk = 0.0037736 k( 221) = ( 0.5000000 -0.0000000 0.0118354), wk = 0.0037736 k( 222) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037736 k( 223) = ( 0.0000000 0.0000000 0.2012014), wk = 0.0037736 k( 224) = ( 0.0119048 -0.0000000 0.2012014), wk = 0.0037736 k( 225) = ( 0.0238095 -0.0000000 0.2012014), wk = 0.0037736 k( 226) = ( 0.0357143 -0.0000000 0.2012014), wk = 0.0037736 k( 227) = ( 0.0476191 -0.0000000 0.2012014), wk = 0.0037736 k( 228) = ( 0.0595238 -0.0000000 0.2012014), wk = 0.0037736 k( 229) = ( 0.0714286 -0.0000000 0.2012014), wk = 0.0037736 k( 230) = ( 0.0833333 -0.0000000 0.2012014), wk = 0.0037736 k( 231) = ( 0.0952381 -0.0000000 0.2012014), wk = 0.0037736 k( 232) = ( 0.1071429 -0.0000000 0.2012014), wk = 0.0037736 k( 233) = ( 0.1190476 -0.0000000 0.2012014), wk = 0.0037736 k( 234) = ( 0.1309524 -0.0000000 0.2012014), wk = 0.0037736 k( 235) = ( 0.1428571 -0.0000000 0.2012014), wk = 0.0037736 k( 236) = ( 0.1547619 -0.0000000 0.2012014), wk = 0.0037736 k( 237) = ( 0.1666667 -0.0000000 0.2012014), wk = 0.0037736 k( 238) = ( 0.1785714 -0.0000000 0.2012014), wk = 0.0037736 k( 239) = ( 0.1904762 -0.0000000 0.2012014), wk = 0.0037736 k( 240) = ( 0.2023810 -0.0000000 0.2012014), wk = 0.0037736 k( 241) = ( 0.2142857 -0.0000000 0.2012014), wk = 0.0037736 k( 242) = ( 0.2261905 -0.0000000 0.2012014), wk = 0.0037736 k( 243) = ( 0.2380952 -0.0000000 0.2012014), wk = 0.0037736 k( 244) = ( 0.2500000 -0.0000000 0.2012014), wk = 0.0037736 k( 245) = ( 0.2619048 -0.0000000 0.2012014), wk = 0.0037736 k( 246) = ( 0.2738095 -0.0000000 0.2012014), wk = 0.0037736 k( 247) = ( 0.2857143 -0.0000000 0.2012014), wk = 0.0037736 k( 248) = ( 0.2976190 -0.0000000 0.2012014), wk = 0.0037736 k( 249) = ( 0.3095238 -0.0000000 0.2012014), wk = 0.0037736 k( 250) = ( 0.3214286 -0.0000000 0.2012014), wk = 0.0037736 k( 251) = ( 0.3333333 -0.0000000 0.2012014), wk = 0.0037736 k( 252) = ( 0.3452381 -0.0000000 0.2012014), wk = 0.0037736 k( 253) = ( 0.3571429 -0.0000000 0.2012014), wk = 0.0037736 k( 254) = ( 0.3690476 -0.0000000 0.2012014), wk = 0.0037736 k( 255) = ( 0.3809524 -0.0000000 0.2012014), wk = 0.0037736 k( 256) = ( 0.3928571 -0.0000000 0.2012014), wk = 0.0037736 k( 257) = ( 0.4047619 -0.0000000 0.2012014), wk = 0.0037736 k( 258) = ( 0.4166667 -0.0000000 0.2012014), wk = 0.0037736 k( 259) = ( 0.4285714 -0.0000000 0.2012014), wk = 0.0037736 k( 260) = ( 0.4404762 -0.0000000 0.2012014), wk = 0.0037736 k( 261) = ( 0.4523810 -0.0000000 0.2012014), wk = 0.0037736 k( 262) = ( 0.4642857 -0.0000000 0.2012014), wk = 0.0037736 k( 263) = ( 0.4761905 -0.0000000 0.2012014), wk = 0.0037736 k( 264) = ( 0.4880952 -0.0000000 0.2012014), wk = 0.0037736 k( 265) = ( 0.5000000 -0.0000000 0.2012014), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0037736 k( 3) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0037736 k( 4) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0037736 k( 5) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0037736 k( 6) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0037736 k( 7) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0037736 k( 8) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0037736 k( 9) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0037736 k( 10) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0037736 k( 11) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0037736 k( 12) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0037736 k( 13) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0037736 k( 14) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0037736 k( 15) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0037736 k( 16) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0037736 k( 17) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0037736 k( 18) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 20) = ( 0.0000000 0.0168071 0.5038422), wk = 0.0037736 k( 21) = ( 0.0000000 0.0336142 0.5076843), wk = 0.0037736 k( 22) = ( 0.0000000 0.0504213 0.5115265), wk = 0.0037736 k( 23) = ( 0.0000000 0.0672284 0.5153686), wk = 0.0037736 k( 24) = ( 0.0000000 0.0840355 0.5192108), wk = 0.0037736 k( 25) = ( 0.0000000 0.1008426 0.5230529), wk = 0.0037736 k( 26) = ( 0.0000000 0.1176497 0.5268951), wk = 0.0037736 k( 27) = ( 0.0000000 0.1344568 0.5307373), wk = 0.0037736 k( 28) = ( 0.0000000 0.1512639 0.5345794), wk = 0.0037736 k( 29) = ( 0.0000000 0.1680710 0.5384216), wk = 0.0037736 k( 30) = ( 0.0000000 0.1848781 0.5422637), wk = 0.0037736 k( 31) = ( 0.0000000 0.2016852 0.5461059), wk = 0.0037736 k( 32) = ( 0.0000000 0.2184923 0.5499480), wk = 0.0037736 k( 33) = ( 0.0000000 0.2352994 0.5537902), wk = 0.0037736 k( 34) = ( 0.0000000 0.2521065 0.5576323), wk = 0.0037736 k( 35) = ( 0.0000000 0.2689137 0.5614745), wk = 0.0037736 k( 36) = ( 0.0000000 0.2857208 0.5653167), wk = 0.0037736 k( 37) = ( 0.0000000 0.3025279 0.5691588), wk = 0.0037736 k( 38) = ( 0.0000000 0.3193350 0.5730010), wk = 0.0037736 k( 39) = ( 0.0000000 0.3361421 0.5768431), wk = 0.0037736 k( 40) = ( 0.0000000 0.3529492 0.5806853), wk = 0.0037736 k( 41) = ( 0.0000000 0.3697563 0.5845274), wk = 0.0037736 k( 42) = ( 0.0000000 0.3865634 0.5883696), wk = 0.0037736 k( 43) = ( 0.0000000 0.4033705 0.5922118), wk = 0.0037736 k( 44) = ( 0.0000000 0.4201776 0.5960539), wk = 0.0037736 k( 45) = ( 0.0000000 0.4369847 0.5998961), wk = 0.0037736 k( 46) = ( 0.0000000 0.4537918 0.6037382), wk = 0.0037736 k( 47) = ( 0.0000000 0.4705989 0.6075804), wk = 0.0037736 k( 48) = ( 0.0000000 0.4705989 0.6075804), wk = 0.0037736 k( 49) = ( 0.0000000 0.4764791 0.5860643), wk = 0.0037736 k( 50) = ( 0.0000000 0.4823593 0.5645482), wk = 0.0037736 k( 51) = ( 0.0000000 0.4882396 0.5430322), wk = 0.0037736 k( 52) = ( 0.0000000 0.4941198 0.5215161), wk = 0.0037736 k( 53) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 55) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0037736 k( 56) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0037736 k( 57) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0037736 k( 58) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0037736 k( 59) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0037736 k( 60) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0037736 k( 61) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0037736 k( 62) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0037736 k( 63) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0037736 k( 64) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0037736 k( 65) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0037736 k( 66) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0037736 k( 67) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0037736 k( 68) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0037736 k( 69) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0037736 k( 70) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0037736 k( 71) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0037736 k( 72) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0037736 k( 73) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0037736 k( 74) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0037736 k( 75) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037736 k( 76) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0037736 k( 77) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0037736 k( 78) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0037736 k( 79) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0037736 k( 80) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0037736 k( 81) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0037736 k( 82) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0037736 k( 83) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0037736 k( 84) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0037736 k( 85) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0037736 k( 86) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0037736 k( 87) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0037736 k( 88) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0037736 k( 89) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0037736 k( 90) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0037736 k( 91) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0037736 k( 92) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0037736 k( 93) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0037736 k( 94) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0037736 k( 95) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0037736 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 98) = ( 0.5000000 0.5058802 0.4784839), wk = 0.0037736 k( 99) = ( 0.5000000 0.5117605 0.4569679), wk = 0.0037736 k( 100) = ( 0.5000000 0.5176407 0.4354518), wk = 0.0037736 k( 101) = ( 0.5000000 0.5235209 0.4139357), wk = 0.0037736 k( 102) = ( 0.5000000 0.5294011 0.3924196), wk = 0.0037736 k( 103) = ( 0.5000000 0.5294011 0.3924196), wk = 0.0037736 k( 104) = ( 0.5000000 0.5273010 0.3643897), wk = 0.0037736 k( 105) = ( 0.5000000 0.5252010 0.3363597), wk = 0.0037736 k( 106) = ( 0.5000000 0.5231009 0.3083297), wk = 0.0037736 k( 107) = ( 0.5000000 0.5210008 0.2802997), wk = 0.0037736 k( 108) = ( 0.5000000 0.5189007 0.2522698), wk = 0.0037736 k( 109) = ( 0.5000000 0.5168006 0.2242398), wk = 0.0037736 k( 110) = ( 0.5000000 0.5147006 0.1962098), wk = 0.0037736 k( 111) = ( 0.5000000 0.5126005 0.1681798), wk = 0.0037736 k( 112) = ( 0.5000000 0.5105004 0.1401499), wk = 0.0037736 k( 113) = ( 0.5000000 0.5084003 0.1121199), wk = 0.0037736 k( 114) = ( 0.5000000 0.5063002 0.0840899), wk = 0.0037736 k( 115) = ( 0.5000000 0.5042002 0.0560600), wk = 0.0037736 k( 116) = ( 0.5000000 0.5021001 0.0280300), wk = 0.0037736 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 118) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037736 k( 119) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0037736 k( 120) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0037736 k( 121) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0037736 k( 122) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0037736 k( 123) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0037736 k( 124) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0037736 k( 125) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0037736 k( 126) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0037736 k( 127) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0037736 k( 128) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0037736 k( 129) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0037736 k( 130) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0037736 k( 131) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0037736 k( 132) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0037736 k( 133) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0037736 k( 134) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0037736 k( 135) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0037736 k( 136) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0037736 k( 137) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0037736 k( 138) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0037736 k( 139) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0037736 k( 140) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0037736 k( 141) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0037736 k( 142) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0037736 k( 143) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0037736 k( 144) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0037736 k( 145) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0037736 k( 146) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0037736 k( 147) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0037736 k( 148) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0037736 k( 149) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0037736 k( 150) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0037736 k( 151) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0037736 k( 152) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0037736 k( 153) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0037736 k( 154) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0037736 k( 155) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0037736 k( 156) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0037736 k( 157) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0037736 k( 158) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0037736 k( 159) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0037736 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037736 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037736 k( 162) = ( 0.0000000 0.5021001 0.0280300), wk = 0.0037736 k( 163) = ( 0.0000000 0.5042002 0.0560600), wk = 0.0037736 k( 164) = ( 0.0000000 0.5063002 0.0840899), wk = 0.0037736 k( 165) = ( 0.0000000 0.5084003 0.1121199), wk = 0.0037736 k( 166) = ( 0.0000000 0.5105004 0.1401499), wk = 0.0037736 k( 167) = ( 0.0000000 0.5126005 0.1681798), wk = 0.0037736 k( 168) = ( 0.0000000 0.5147006 0.1962098), wk = 0.0037736 k( 169) = ( 0.0000000 0.5168006 0.2242398), wk = 0.0037736 k( 170) = ( 0.0000000 0.5189007 0.2522698), wk = 0.0037736 k( 171) = ( 0.0000000 0.5210008 0.2802997), wk = 0.0037736 k( 172) = ( 0.0000000 0.5231009 0.3083297), wk = 0.0037736 k( 173) = ( 0.0000000 0.5252010 0.3363597), wk = 0.0037736 k( 174) = ( 0.0000000 0.5273010 0.3643897), wk = 0.0037736 k( 175) = ( 0.0000000 0.5294011 0.3924196), wk = 0.0037736 k( 176) = ( 0.5000000 0.4705989 0.6075804), wk = 0.0037736 k( 177) = ( 0.5000000 0.4537918 0.6037382), wk = 0.0037736 k( 178) = ( 0.5000000 0.4369847 0.5998961), wk = 0.0037736 k( 179) = ( 0.5000000 0.4201776 0.5960539), wk = 0.0037736 k( 180) = ( 0.5000000 0.4033705 0.5922118), wk = 0.0037736 k( 181) = ( 0.5000000 0.3865634 0.5883696), wk = 0.0037736 k( 182) = ( 0.5000000 0.3697563 0.5845274), wk = 0.0037736 k( 183) = ( 0.5000000 0.3529492 0.5806853), wk = 0.0037736 k( 184) = ( 0.5000000 0.3361421 0.5768431), wk = 0.0037736 k( 185) = ( 0.5000000 0.3193350 0.5730010), wk = 0.0037736 k( 186) = ( 0.5000000 0.3025279 0.5691588), wk = 0.0037736 k( 187) = ( 0.5000000 0.2857208 0.5653167), wk = 0.0037736 k( 188) = ( 0.5000000 0.2689137 0.5614745), wk = 0.0037736 k( 189) = ( 0.5000000 0.2521065 0.5576323), wk = 0.0037736 k( 190) = ( 0.5000000 0.2352994 0.5537902), wk = 0.0037736 k( 191) = ( 0.5000000 0.2184923 0.5499480), wk = 0.0037736 k( 192) = ( 0.5000000 0.2016852 0.5461059), wk = 0.0037736 k( 193) = ( 0.5000000 0.1848781 0.5422637), wk = 0.0037736 k( 194) = ( 0.5000000 0.1680710 0.5384216), wk = 0.0037736 k( 195) = ( 0.5000000 0.1512639 0.5345794), wk = 0.0037736 k( 196) = ( 0.5000000 0.1344568 0.5307373), wk = 0.0037736 k( 197) = ( 0.5000000 0.1176497 0.5268951), wk = 0.0037736 k( 198) = ( 0.5000000 0.1008426 0.5230529), wk = 0.0037736 k( 199) = ( 0.5000000 0.0840355 0.5192108), wk = 0.0037736 k( 200) = ( 0.5000000 0.0672284 0.5153686), wk = 0.0037736 k( 201) = ( 0.5000000 0.0504213 0.5115265), wk = 0.0037736 k( 202) = ( 0.5000000 0.0336142 0.5076843), wk = 0.0037736 k( 203) = ( 0.5000000 0.0168071 0.5038422), wk = 0.0037736 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037736 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037736 k( 206) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0037736 k( 207) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0037736 k( 208) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0037736 k( 209) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0037736 k( 210) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0037736 k( 211) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0037736 k( 212) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0037736 k( 213) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0037736 k( 214) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0037736 k( 215) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0037736 k( 216) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0037736 k( 217) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0037736 k( 218) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0037736 k( 219) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0037736 k( 220) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0037736 k( 221) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0037736 k( 222) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037736 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 224) = ( 0.0119048 -0.0000000 0.5000000), wk = 0.0037736 k( 225) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0037736 k( 226) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0037736 k( 227) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0037736 k( 228) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0037736 k( 229) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0037736 k( 230) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0037736 k( 231) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0037736 k( 232) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0037736 k( 233) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0037736 k( 234) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0037736 k( 235) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0037736 k( 236) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0037736 k( 237) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0037736 k( 238) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0037736 k( 239) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0037736 k( 240) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0037736 k( 241) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0037736 k( 242) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0037736 k( 243) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0037736 k( 244) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037736 k( 245) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0037736 k( 246) = ( 0.2738095 0.0000000 0.5000000), wk = 0.0037736 k( 247) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0037736 k( 248) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0037736 k( 249) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0037736 k( 250) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0037736 k( 251) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0037736 k( 252) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0037736 k( 253) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0037736 k( 254) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0037736 k( 255) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0037736 k( 256) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0037736 k( 257) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0037736 k( 258) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0037736 k( 259) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0037736 k( 260) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0037736 k( 261) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0037736 k( 262) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0037736 k( 263) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0037736 k( 264) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0037736 k( 265) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037736 Dense grid: 95697 G-vectors FFT dimensions: ( 40, 54, 96) Smooth grid: 54357 G-vectors FFT dimensions: ( 32, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 300, 72) NL pseudopotentials 0.35 Mb ( 150, 152) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.02 Mb ( 1993) G-vector shells 0.01 Mb ( 1947) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 300, 288) Each subspace H/S matrix 1.27 Mb ( 288, 288) Each matrix 0.33 Mb ( 152, 2, 72) The potential is recalculated from file : ./ZrSe3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.7 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 50.1 secs Computing kpt #: 4 total cpu time spent up to now is 53.4 secs Computing kpt #: 5 total cpu time spent up to now is 56.7 secs Computing kpt #: 6 total cpu time spent up to now is 59.9 secs Computing kpt #: 7 total cpu time spent up to now is 63.0 secs Computing kpt #: 8 total cpu time spent up to now is 66.2 secs Computing kpt #: 9 total cpu time spent up to now is 69.7 secs Computing kpt #: 10 total cpu time spent up to now is 72.9 secs Computing kpt #: 11 total cpu time spent up to now is 76.1 secs Computing kpt #: 12 total cpu time spent up to now is 79.3 secs Computing kpt #: 13 total cpu time spent up to now is 82.6 secs Computing kpt #: 14 total cpu time spent up to now is 85.9 secs Computing kpt #: 15 total cpu time spent up to now is 89.1 secs Computing kpt #: 16 total cpu time spent up to now is 92.3 secs Computing kpt #: 17 total cpu time spent up to now is 95.5 secs Computing kpt #: 18 total cpu time spent up to now is 98.6 secs Computing kpt #: 19 total cpu time spent up to now is 101.8 secs Computing kpt #: 20 total cpu time spent up to now is 105.0 secs Computing kpt #: 21 total cpu time spent up to now is 108.2 secs Computing kpt #: 22 total cpu time spent up to now is 111.6 secs Computing kpt #: 23 total cpu time spent up to now is 114.9 secs Computing kpt #: 24 total cpu time spent up to now is 118.1 secs Computing kpt #: 25 total cpu time spent up to now is 121.5 secs Computing kpt #: 26 total cpu time spent up to now is 124.9 secs Computing kpt #: 27 total cpu time spent up to now is 128.2 secs Computing kpt #: 28 total cpu time spent up to now is 131.5 secs Computing kpt #: 29 total cpu time spent up to now is 134.6 secs Computing kpt #: 30 total cpu time spent up to now is 137.8 secs Computing kpt #: 31 total cpu time spent up to now is 141.1 secs Computing kpt #: 32 total cpu time spent up to now is 144.3 secs Computing kpt #: 33 total cpu time spent up to now is 147.5 secs Computing kpt #: 34 total cpu time spent up to now is 150.7 secs Computing kpt #: 35 total cpu time spent up to now is 153.7 secs Computing kpt #: 36 total cpu time spent up to now is 156.6 secs Computing kpt #: 37 total cpu time spent up to now is 159.4 secs Computing kpt #: 38 total cpu time spent up to now is 162.4 secs Computing kpt #: 39 total cpu time spent up to now is 165.3 secs Computing kpt #: 40 total cpu time spent up to now is 168.2 secs Computing kpt #: 41 total cpu time spent up to now is 171.0 secs Computing kpt #: 42 total cpu time spent up to now is 173.7 secs Computing kpt #: 43 total cpu time spent up to now is 176.5 secs Computing kpt #: 44 total cpu time spent up to now is 179.2 secs Computing kpt #: 45 total cpu time spent up to now is 181.9 secs Computing kpt #: 46 total cpu time spent up to now is 184.9 secs Computing kpt #: 47 total cpu time spent up to now is 187.7 secs Computing kpt #: 48 total cpu time spent up to now is 190.5 secs Computing kpt #: 49 total cpu time spent up to now is 193.3 secs Computing kpt #: 50 total cpu time spent up to now is 196.3 secs Computing kpt #: 51 total cpu time spent up to now is 199.1 secs Computing kpt #: 52 total cpu time spent up to now is 202.3 secs Computing kpt #: 53 total cpu time spent up to now is 205.1 secs Computing kpt #: 54 total cpu time spent up to now is 207.8 secs Computing kpt #: 55 total cpu time spent up to now is 210.6 secs Computing kpt #: 56 total cpu time spent up to now is 213.3 secs Computing kpt #: 57 total cpu time spent up to now is 216.1 secs Computing kpt #: 58 total cpu time spent up to now is 218.8 secs Computing kpt #: 59 total cpu time spent up to now is 221.6 secs Computing kpt #: 60 total cpu time spent up to now is 224.4 secs Computing kpt #: 61 total cpu time spent up to now is 227.3 secs Computing kpt #: 62 total cpu time spent up to now is 230.3 secs Computing kpt #: 63 total cpu time spent up to now is 233.2 secs Computing kpt #: 64 total cpu time spent up to now is 236.1 secs Computing kpt #: 65 total cpu time spent up to now is 239.1 secs Computing kpt #: 66 total cpu time spent up to now is 242.0 secs Computing kpt #: 67 total cpu time spent up to now is 244.9 secs Computing kpt #: 68 total cpu time spent up to now is 247.8 secs Computing kpt #: 69 total cpu time spent up to now is 250.9 secs Computing kpt #: 70 total cpu time spent up to now is 254.0 secs Computing kpt #: 71 total cpu time spent up to now is 257.3 secs Computing kpt #: 72 total cpu time spent up to now is 260.8 secs Computing kpt #: 73 total cpu time spent up to now is 263.9 secs Computing kpt #: 74 total cpu time spent up to now is 266.7 secs Computing kpt #: 75 total cpu time spent up to now is 269.4 secs Computing kpt #: 76 total cpu time spent up to now is 272.2 secs Computing kpt #: 77 total cpu time spent up to now is 275.2 secs Computing kpt #: 78 total cpu time spent up to now is 278.0 secs Computing kpt #: 79 total cpu time spent up to now is 280.9 secs Computing kpt #: 80 total cpu time spent up to now is 283.8 secs Computing kpt #: 81 total cpu time spent up to now is 286.6 secs Computing kpt #: 82 total cpu time spent up to now is 289.5 secs Computing kpt #: 83 total cpu time spent up to now is 292.4 secs Computing kpt #: 84 total cpu time spent up to now is 295.3 secs Computing kpt #: 85 total cpu time spent up to now is 298.2 secs Computing kpt #: 86 total cpu time spent up to now is 301.0 secs Computing kpt #: 87 total cpu time spent up to now is 303.9 secs Computing kpt #: 88 total cpu time spent up to now is 306.7 secs Computing kpt #: 89 total cpu time spent up to now is 309.7 secs Computing kpt #: 90 total cpu time spent up to now is 312.6 secs Computing kpt #: 91 total cpu time spent up to now is 315.4 secs Computing kpt #: 92 total cpu time spent up to now is 318.2 secs Computing kpt #: 93 total cpu time spent up to now is 321.1 secs Computing kpt #: 94 total cpu time spent up to now is 323.9 secs Computing kpt #: 95 total cpu time spent up to now is 326.7 secs Computing kpt #: 96 total cpu time spent up to now is 329.5 secs Computing kpt #: 97 total cpu time spent up to now is 332.2 secs Computing kpt #: 98 total cpu time spent up to now is 335.1 secs Computing kpt #: 99 total cpu time spent up to now is 337.9 secs Computing kpt #: 100 total cpu time spent up to now is 340.7 secs Computing kpt #: 101 total cpu time spent up to now is 343.6 secs Computing kpt #: 102 total cpu time spent up to now is 346.4 secs Computing kpt #: 103 total cpu time spent up to now is 349.2 secs Computing kpt #: 104 total cpu time spent up to now is 352.0 secs Computing kpt #: 105 total cpu time spent up to now is 354.9 secs Computing kpt #: 106 total cpu time spent up to now is 357.7 secs Computing kpt #: 107 total cpu time spent up to now is 360.6 secs Computing kpt #: 108 total cpu time spent up to now is 363.5 secs Computing kpt #: 109 total cpu time spent up to now is 366.5 secs Computing kpt #: 110 total cpu time spent up to now is 369.3 secs Computing kpt #: 111 total cpu time spent up to now is 372.3 secs Computing kpt #: 112 total cpu time spent up to now is 375.1 secs Computing kpt #: 113 total cpu time spent up to now is 378.1 secs Computing kpt #: 114 total cpu time spent up to now is 381.1 secs Computing kpt #: 115 total cpu time spent up to now is 384.2 secs Computing kpt #: 116 total cpu time spent up to now is 387.6 secs Computing kpt #: 117 total cpu time spent up to now is 390.6 secs Computing kpt #: 118 total cpu time spent up to now is 393.5 secs Computing kpt #: 119 total cpu time spent up to now is 396.4 secs Computing kpt #: 120 total cpu time spent up to now is 399.4 secs Computing kpt #: 121 total cpu time spent up to now is 402.3 secs Computing kpt #: 122 total cpu time spent up to now is 405.2 secs Computing kpt #: 123 total cpu time spent up to now is 408.0 secs Computing kpt #: 124 total cpu time spent up to now is 411.4 secs Computing kpt #: 125 total cpu time spent up to now is 414.3 secs Computing kpt #: 126 total cpu time spent up to now is 417.2 secs Computing kpt #: 127 total cpu time spent up to now is 420.1 secs Computing kpt #: 128 total cpu time spent up to now is 422.9 secs Computing kpt #: 129 total cpu time spent up to now is 425.7 secs Computing kpt #: 130 total cpu time spent up to now is 428.5 secs Computing kpt #: 131 total cpu time spent up to now is 431.3 secs Computing kpt #: 132 total cpu time spent up to now is 434.1 secs Computing kpt #: 133 total cpu time spent up to now is 436.9 secs Computing kpt #: 134 total cpu time spent up to now is 439.7 secs Computing kpt #: 135 total cpu time spent up to now is 442.4 secs Computing kpt #: 136 total cpu time spent up to now is 445.2 secs Computing kpt #: 137 total cpu time spent up to now is 447.9 secs Computing kpt #: 138 total cpu time spent up to now is 450.7 secs Computing kpt #: 139 total cpu time spent up to now is 453.5 secs Computing kpt #: 140 total cpu time spent up to now is 456.5 secs Computing kpt #: 141 total cpu time spent up to now is 459.3 secs Computing kpt #: 142 total cpu time spent up to now is 462.2 secs Computing kpt #: 143 total cpu time spent up to now is 465.1 secs Computing kpt #: 144 total cpu time spent up to now is 468.0 secs Computing kpt #: 145 total cpu time spent up to now is 470.8 secs Computing kpt #: 146 total cpu time spent up to now is 473.7 secs Computing kpt #: 147 total cpu time spent up to now is 476.6 secs Computing kpt #: 148 total cpu time spent up to now is 479.6 secs Computing kpt #: 149 total cpu time spent up to now is 482.4 secs Computing kpt #: 150 total cpu time spent up to now is 485.3 secs Computing kpt #: 151 total cpu time spent up to now is 488.1 secs Computing kpt #: 152 total cpu time spent up to now is 491.0 secs Computing kpt #: 153 total cpu time spent up to now is 493.9 secs Computing kpt #: 154 total cpu time spent up to now is 496.7 secs Computing kpt #: 155 total cpu time spent up to now is 499.5 secs Computing kpt #: 156 total cpu time spent up to now is 502.2 secs Computing kpt #: 157 total cpu time spent up to now is 504.9 secs Computing kpt #: 158 total cpu time spent up to now is 507.7 secs Computing kpt #: 159 total cpu time spent up to now is 510.5 secs Computing kpt #: 160 total cpu time spent up to now is 513.3 secs Computing kpt #: 161 total cpu time spent up to now is 516.0 secs Computing kpt #: 162 total cpu time spent up to now is 518.6 secs Computing kpt #: 163 total cpu time spent up to now is 521.4 secs Computing kpt #: 164 total cpu time spent up to now is 524.1 secs Computing kpt #: 165 total cpu time spent up to now is 527.2 secs Computing kpt #: 166 total cpu time spent up to now is 529.9 secs Computing kpt #: 167 total cpu time spent up to now is 532.8 secs Computing kpt #: 168 total cpu time spent up to now is 535.5 secs Computing kpt #: 169 total cpu time spent up to now is 538.3 secs Computing kpt #: 170 total cpu time spent up to now is 541.0 secs Computing kpt #: 171 total cpu time spent up to now is 543.8 secs Computing kpt #: 172 total cpu time spent up to now is 546.6 secs Computing kpt #: 173 total cpu time spent up to now is 549.4 secs Computing kpt #: 174 total cpu time spent up to now is 552.2 secs Computing kpt #: 175 total cpu time spent up to now is 555.0 secs Computing kpt #: 176 total cpu time spent up to now is 557.8 secs Computing kpt #: 177 total cpu time spent up to now is 560.8 secs Computing kpt #: 178 total cpu time spent up to now is 563.5 secs Computing kpt #: 179 total cpu time spent up to now is 566.4 secs Computing kpt #: 180 total cpu time spent up to now is 569.3 secs Computing kpt #: 181 total cpu time spent up to now is 572.2 secs Computing kpt #: 182 total cpu time spent up to now is 575.0 secs Computing kpt #: 183 total cpu time spent up to now is 577.8 secs Computing kpt #: 184 total cpu time spent up to now is 580.6 secs Computing kpt #: 185 total cpu time spent up to now is 583.4 secs Computing kpt #: 186 total cpu time spent up to now is 586.4 secs Computing kpt #: 187 total cpu time spent up to now is 589.2 secs Computing kpt #: 188 total cpu time spent up to now is 592.0 secs Computing kpt #: 189 total cpu time spent up to now is 594.8 secs Computing kpt #: 190 total cpu time spent up to now is 597.7 secs Computing kpt #: 191 total cpu time spent up to now is 600.6 secs Computing kpt #: 192 total cpu time spent up to now is 603.4 secs Computing kpt #: 193 total cpu time spent up to now is 606.2 secs Computing kpt #: 194 total cpu time spent up to now is 609.1 secs Computing kpt #: 195 total cpu time spent up to now is 611.9 secs Computing kpt #: 196 total cpu time spent up to now is 614.7 secs Computing kpt #: 197 total cpu time spent up to now is 617.5 secs Computing kpt #: 198 total cpu time spent up to now is 620.3 secs Computing kpt #: 199 total cpu time spent up to now is 623.3 secs Computing kpt #: 200 total cpu time spent up to now is 626.2 secs Computing kpt #: 201 total cpu time spent up to now is 629.1 secs Computing kpt #: 202 total cpu time spent up to now is 631.9 secs Computing kpt #: 203 total cpu time spent up to now is 634.9 secs Computing kpt #: 204 total cpu time spent up to now is 637.7 secs Computing kpt #: 205 total cpu time spent up to now is 640.5 secs Computing kpt #: 206 total cpu time spent up to now is 643.3 secs Computing kpt #: 207 total cpu time spent up to now is 646.1 secs Computing kpt #: 208 total cpu time spent up to now is 648.9 secs Computing kpt #: 209 total cpu time spent up to now is 651.7 secs Computing kpt #: 210 total cpu time spent up to now is 654.4 secs Computing kpt #: 211 total cpu time spent up to now is 657.3 secs Computing kpt #: 212 total cpu time spent up to now is 660.0 secs Computing kpt #: 213 total cpu time spent up to now is 662.7 secs Computing kpt #: 214 total cpu time spent up to now is 665.5 secs Computing kpt #: 215 total cpu time spent up to now is 668.2 secs Computing kpt #: 216 total cpu time spent up to now is 671.0 secs Computing kpt #: 217 total cpu time spent up to now is 673.8 secs Computing kpt #: 218 total cpu time spent up to now is 676.6 secs Computing kpt #: 219 total cpu time spent up to now is 679.4 secs Computing kpt #: 220 total cpu time spent up to now is 682.2 secs Computing kpt #: 221 total cpu time spent up to now is 685.1 secs Computing kpt #: 222 total cpu time spent up to now is 687.9 secs Computing kpt #: 223 total cpu time spent up to now is 691.3 secs Computing kpt #: 224 total cpu time spent up to now is 694.4 secs Computing kpt #: 225 total cpu time spent up to now is 697.7 secs Computing kpt #: 226 total cpu time spent up to now is 700.9 secs Computing kpt #: 227 total cpu time spent up to now is 704.1 secs Computing kpt #: 228 total cpu time spent up to now is 707.4 secs Computing kpt #: 229 total cpu time spent up to now is 710.7 secs Computing kpt #: 230 total cpu time spent up to now is 714.1 secs Computing kpt #: 231 total cpu time spent up to now is 717.4 secs Computing kpt #: 232 total cpu time spent up to now is 720.6 secs Computing kpt #: 233 total cpu time spent up to now is 723.7 secs Computing kpt #: 234 total cpu time spent up to now is 726.9 secs Computing kpt #: 235 total cpu time spent up to now is 730.2 secs Computing kpt #: 236 total cpu time spent up to now is 733.4 secs Computing kpt #: 237 total cpu time spent up to now is 736.6 secs Computing kpt #: 238 total cpu time spent up to now is 739.8 secs Computing kpt #: 239 total cpu time spent up to now is 742.8 secs Computing kpt #: 240 total cpu time spent up to now is 745.7 secs Computing kpt #: 241 total cpu time spent up to now is 748.6 secs Computing kpt #: 242 total cpu time spent up to now is 751.5 secs Computing kpt #: 243 total cpu time spent up to now is 754.4 secs Computing kpt #: 244 total cpu time spent up to now is 757.3 secs Computing kpt #: 245 total cpu time spent up to now is 760.2 secs Computing kpt #: 246 total cpu time spent up to now is 763.1 secs Computing kpt #: 247 total cpu time spent up to now is 766.3 secs Computing kpt #: 248 total cpu time spent up to now is 769.2 secs Computing kpt #: 249 total cpu time spent up to now is 772.2 secs Computing kpt #: 250 total cpu time spent up to now is 775.2 secs Computing kpt #: 251 total cpu time spent up to now is 778.1 secs Computing kpt #: 252 total cpu time spent up to now is 781.0 secs Computing kpt #: 253 total cpu time spent up to now is 784.0 secs Computing kpt #: 254 total cpu time spent up to now is 787.0 secs Computing kpt #: 255 total cpu time spent up to now is 790.1 secs Computing kpt #: 256 total cpu time spent up to now is 792.9 secs Computing kpt #: 257 total cpu time spent up to now is 795.7 secs Computing kpt #: 258 total cpu time spent up to now is 798.6 secs Computing kpt #: 259 total cpu time spent up to now is 801.6 secs Computing kpt #: 260 total cpu time spent up to now is 804.4 secs Computing kpt #: 261 total cpu time spent up to now is 807.2 secs Computing kpt #: 262 total cpu time spent up to now is 810.1 secs Computing kpt #: 263 total cpu time spent up to now is 812.9 secs Computing kpt #: 264 total cpu time spent up to now is 815.8 secs Computing kpt #: 265 total cpu time spent up to now is 818.6 secs ethr = 1.67E-11, avg # of iterations = 19.6 total cpu time spent up to now is 818.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6791 PWs) bands (ev): -41.3128 -41.3128 -41.3113 -41.3113 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8343 -18.8343 -18.7565 -18.7565 -18.7415 -18.7415 -7.1246 -7.1246 -6.8094 -6.8094 -5.1024 -5.1024 -4.0772 -4.0772 -3.2731 -3.2731 -3.2523 -3.2523 1.8133 1.8133 2.1673 2.1673 3.1414 3.1414 3.3074 3.3074 3.4766 3.4766 4.5966 4.5966 4.7536 4.7536 5.2691 5.2691 5.7683 5.7683 6.6514 6.6514 6.8842 6.8842 7.0517 7.0517 7.1234 7.1234 7.1957 7.1957 7.6107 7.6107 7.8190 7.8190 8.4913 8.4913 8.8802 8.8802 10.4561 10.4561 10.6698 10.6698 10.7861 10.7861 10.9766 10.9766 k = 0.0000 0.0000 0.0118 ( 6788 PWs) bands (ev): -41.3128 -41.3128 -41.3113 -41.3113 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8343 -18.8343 -18.7565 -18.7565 -18.7415 -18.7415 -7.1240 -7.1240 -6.8101 -6.8101 -5.1021 -5.1021 -4.0772 -4.0772 -3.2732 -3.2732 -3.2523 -3.2523 1.8137 1.8137 2.1671 2.1671 3.1224 3.1224 3.3090 3.3090 3.4963 3.4963 4.5965 4.5965 4.7535 4.7535 5.2693 5.2693 5.7689 5.7689 6.6517 6.6517 6.8821 6.8821 7.0475 7.0475 7.1257 7.1257 7.1955 7.1955 7.6099 7.6099 7.8183 7.8183 8.4887 8.4887 8.8828 8.8828 10.4564 10.4564 10.6690 10.6690 10.7863 10.7863 10.9769 10.9769 k = 0.0000 0.0000 0.0237 ( 6795 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8343 -18.8343 -18.7565 -18.7565 -18.7415 -18.7415 -7.1225 -7.1225 -6.8123 -6.8123 -5.1013 -5.1013 -4.0772 -4.0772 -3.2732 -3.2732 -3.2522 -3.2522 1.8152 1.8152 2.1666 2.1666 3.0763 3.0763 3.3114 3.3114 3.5468 3.5468 4.5962 4.5962 4.7532 4.7532 5.2700 5.2700 5.7708 5.7708 6.6524 6.6524 6.8756 6.8756 7.0365 7.0365 7.1308 7.1308 7.1951 7.1951 7.6077 7.6077 7.8163 7.8163 8.4812 8.4812 8.8903 8.8903 10.4573 10.4573 10.6666 10.6666 10.7868 10.7868 10.9778 10.9778 k = 0.0000 0.0000 0.0355 ( 6792 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8343 -18.8343 -18.7565 -18.7565 -18.7415 -18.7415 -7.1199 -7.1199 -6.8158 -6.8158 -5.0999 -5.0999 -4.0772 -4.0772 -3.2732 -3.2732 -3.2522 -3.2522 1.8176 1.8176 2.1658 2.1658 3.0183 3.0183 3.3131 3.3131 3.6147 3.6147 4.5958 4.5958 4.7528 4.7528 5.2713 5.2713 5.7737 5.7737 6.6531 6.6531 6.8643 6.8643 7.0221 7.0221 7.1366 7.1366 7.1943 7.1943 7.6041 7.6041 7.8129 7.8129 8.4700 8.4700 8.9015 8.9015 10.4586 10.4586 10.6629 10.6629 10.7876 10.7876 10.9791 10.9791 k = 0.0000 0.0000 0.0473 ( 6790 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8343 -18.8343 -18.7565 -18.7565 -18.7415 -18.7415 -7.1163 -7.1163 -6.8207 -6.8207 -5.0981 -5.0981 -4.0772 -4.0772 -3.2733 -3.2733 -3.2521 -3.2521 1.8209 1.8209 2.1646 2.1646 2.9565 2.9565 3.3140 3.3140 3.6912 3.6912 4.5952 4.5952 4.7523 4.7523 5.2733 5.2733 5.7778 5.7778 6.6527 6.6527 6.8481 6.8481 7.0067 7.0067 7.1415 7.1415 7.1933 7.1933 7.5995 7.5995 7.8085 7.8085 8.4565 8.4565 8.9152 8.9152 10.4604 10.4604 10.6582 10.6582 10.7886 10.7886 10.9808 10.9808 k = 0.0000 0.0000 0.0592 ( 6792 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.1117 -7.1117 -6.8269 -6.8269 -5.0959 -5.0959 -4.0772 -4.0772 -3.2734 -3.2734 -3.2520 -3.2520 1.8252 1.8252 2.1629 2.1629 2.8947 2.8947 3.3146 3.3146 3.7720 3.7720 4.5945 4.5945 4.7517 4.7517 5.2760 5.2760 5.7829 5.7829 6.6498 6.6498 6.8275 6.8275 6.9921 6.9921 7.1452 7.1452 7.1920 7.1920 7.5940 7.5940 7.8032 7.8032 8.4421 8.4421 8.9301 8.9301 10.4624 10.4624 10.6529 10.6529 10.7899 10.7899 10.9827 10.9827 k = 0.0000 0.0000 0.0710 ( 6787 PWs) bands (ev): -41.3128 -41.3128 -41.3113 -41.3113 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.1061 -7.1061 -6.8342 -6.8342 -5.0933 -5.0933 -4.0772 -4.0772 -3.2735 -3.2735 -3.2519 -3.2519 1.8305 1.8305 2.1607 2.1607 2.8349 2.8349 3.3150 3.3150 3.8547 3.8547 4.5936 4.5936 4.7512 4.7512 5.2798 5.2798 5.7887 5.7887 6.6418 6.6418 6.8045 6.8045 6.9791 6.9791 7.1477 7.1477 7.1906 7.1906 7.5879 7.5879 7.7973 7.7973 8.4278 8.4278 8.9452 8.9452 10.4645 10.4645 10.6475 10.6475 10.7914 10.7914 10.9846 10.9846 k = 0.0000 0.0000 0.0828 ( 6792 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0997 -7.0997 -6.8426 -6.8426 -5.0905 -5.0905 -4.0771 -4.0771 -3.2736 -3.2736 -3.2518 -3.2518 1.8366 1.8366 2.1579 2.1579 2.7782 2.7782 3.3153 3.3153 3.9375 3.9375 4.5927 4.5927 4.7507 4.7507 5.2848 5.2848 5.7952 5.7952 6.6251 6.6251 6.7825 6.7825 6.9682 6.9682 7.1493 7.1493 7.1891 7.1891 7.5814 7.5814 7.7909 7.7909 8.4145 8.4145 8.9596 8.9596 10.4665 10.4665 10.6424 10.6424 10.7930 10.7930 10.9863 10.9863 k = 0.0000 0.0000 0.0947 ( 6792 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0925 -7.0925 -6.8519 -6.8519 -5.0875 -5.0875 -4.0771 -4.0771 -3.2738 -3.2738 -3.2517 -3.2517 1.8436 1.8436 2.1543 2.1543 2.7253 2.7253 3.3155 3.3155 4.0189 4.0189 4.5916 4.5916 4.7504 4.7504 5.2912 5.2912 5.8023 5.8023 6.5968 6.5968 6.7651 6.7651 6.9595 6.9595 7.1504 7.1504 7.1877 7.1877 7.5747 7.5747 7.7844 7.7844 8.4025 8.4025 8.9729 8.9729 10.4679 10.4679 10.6382 10.6382 10.7946 10.7946 10.9877 10.9877 k = 0.0000 0.0000 0.1065 ( 6792 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0846 -7.0846 -6.8619 -6.8619 -5.0845 -5.0845 -4.0771 -4.0771 -3.2739 -3.2739 -3.2516 -3.2516 1.8514 1.8514 2.1499 2.1499 2.6769 2.6769 3.3156 3.3156 4.0974 4.0974 4.5904 4.5904 4.7505 4.7505 5.2992 5.2992 5.8096 5.8096 6.5570 6.5570 6.7530 6.7530 6.9528 6.9528 7.1514 7.1514 7.1862 7.1862 7.5681 7.5681 7.7780 7.7780 8.3922 8.3922 8.9848 8.9848 10.4687 10.4687 10.6352 10.6352 10.7964 10.7964 10.9888 10.9888 k = 0.0000 0.0000 0.1184 ( 6795 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0761 -7.0761 -6.8725 -6.8725 -5.0816 -5.0816 -4.0771 -4.0771 -3.2740 -3.2740 -3.2515 -3.2515 1.8599 1.8599 2.1447 2.1447 2.6334 2.6334 3.3156 3.3156 4.1717 4.1717 4.5892 4.5892 4.7508 4.7508 5.3091 5.3091 5.8169 5.8169 6.5088 6.5088 6.7445 6.7445 6.9481 6.9481 7.1526 7.1526 7.1848 7.1848 7.5616 7.5616 7.7718 7.7718 8.3836 8.3836 8.9951 8.9951 10.4687 10.4687 10.6336 10.6336 10.7980 10.7980 10.9895 10.9895 k = 0.0000 0.0000 0.1302 ( 6798 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0671 -7.0671 -6.8835 -6.8835 -5.0788 -5.0788 -4.0771 -4.0771 -3.2741 -3.2741 -3.2514 -3.2514 1.8688 1.8688 2.1386 2.1386 2.5954 2.5954 3.3157 3.3157 4.2402 4.2402 4.5880 4.5880 4.7517 4.7517 5.3206 5.3206 5.8243 5.8243 6.4559 6.4559 6.7380 6.7380 6.9452 6.9452 7.1540 7.1540 7.1834 7.1834 7.5554 7.5554 7.7660 7.7660 8.3766 8.3766 9.0038 9.0038 10.4679 10.4679 10.6335 10.6335 10.7996 10.7996 10.9899 10.9899 k = 0.0000 0.0000 0.1420 ( 6807 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8562 -18.8562 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0579 -7.0579 -6.8944 -6.8944 -5.0763 -5.0763 -4.0771 -4.0771 -3.2742 -3.2742 -3.2513 -3.2513 1.8779 1.8779 2.1318 2.1318 2.5630 2.5630 3.3156 3.3156 4.3013 4.3013 4.5867 4.5867 4.7529 4.7529 5.3337 5.3337 5.8313 5.8313 6.4018 6.4018 6.7324 6.7324 6.9437 6.9437 7.1558 7.1558 7.1821 7.1821 7.5497 7.5497 7.7609 7.7609 8.3711 8.3711 9.0110 9.0110 10.4665 10.4665 10.6345 10.6345 10.8011 10.8011 10.9900 10.9900 k = 0.0000 0.0000 0.1539 ( 6809 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0488 -7.0488 -6.9051 -6.9051 -5.0741 -5.0741 -4.0770 -4.0770 -3.2743 -3.2743 -3.2512 -3.2512 1.8867 1.8867 2.1247 2.1247 2.5365 2.5365 3.3156 3.3156 4.3534 4.3534 4.5854 4.5854 4.7546 4.7546 5.3477 5.3477 5.8378 5.8378 6.3499 6.3499 6.7274 6.7274 6.9433 6.9433 7.1578 7.1578 7.1808 7.1808 7.5447 7.5447 7.7565 7.7565 8.3669 8.3669 9.0166 9.0166 10.4647 10.4647 10.6363 10.6363 10.8024 10.8024 10.9899 10.9899 k = 0.0000 0.0000 0.1657 ( 6804 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0403 -7.0403 -6.9148 -6.9148 -5.0723 -5.0723 -4.0770 -4.0770 -3.2744 -3.2744 -3.2511 -3.2511 1.8948 1.8948 2.1178 2.1178 2.5159 2.5159 3.3156 3.3156 4.3954 4.3954 4.5842 4.5842 4.7565 4.7565 5.3615 5.3615 5.8437 5.8437 6.3037 6.3037 6.7231 6.7231 6.9435 6.9435 7.1599 7.1599 7.1795 7.1795 7.5406 7.5406 7.7529 7.7529 8.3638 8.3638 9.0208 9.0208 10.4629 10.4629 10.6384 10.6384 10.8034 10.8034 10.9897 10.9897 k = 0.0000 0.0000 0.1775 ( 6808 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0330 -7.0330 -6.9230 -6.9230 -5.0710 -5.0710 -4.0770 -4.0770 -3.2744 -3.2744 -3.2511 -3.2511 1.9013 1.9013 2.1119 2.1119 2.5013 2.5013 3.3155 3.3155 4.4260 4.4260 4.5830 4.5830 4.7584 4.7584 5.3734 5.3734 5.8484 5.8484 6.2669 6.2669 6.7198 6.7198 6.9440 6.9440 7.1618 7.1618 7.1784 7.1784 7.5375 7.5375 7.7503 7.7503 8.3618 8.3618 9.0238 9.0238 10.4614 10.4614 10.6403 10.6403 10.8042 10.8042 10.9894 10.9894 k = 0.0000 0.0000 0.1894 ( 6808 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0279 -7.0279 -6.9286 -6.9286 -5.0702 -5.0702 -4.0770 -4.0770 -3.2744 -3.2744 -3.2510 -3.2510 1.9057 1.9057 2.1080 2.1080 2.4926 2.4926 3.3155 3.3155 4.4447 4.4447 4.5822 4.5822 4.7597 4.7597 5.3816 5.3816 5.8515 5.8515 6.2429 6.2429 6.7177 6.7177 6.9444 6.9444 7.1632 7.1632 7.1776 7.1776 7.5356 7.5356 7.7486 7.7486 8.3606 8.3606 9.0255 9.0255 10.4603 10.4603 10.6416 10.6416 10.8047 10.8047 10.9892 10.9892 k = 0.0000 0.0000 0.2012 ( 6810 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0261 -7.0261 -6.9307 -6.9307 -5.0699 -5.0699 -4.0770 -4.0770 -3.2744 -3.2744 -3.2510 -3.2510 1.9072 1.9072 2.1066 2.1066 2.4897 2.4897 3.3155 3.3155 4.4510 4.4510 4.5819 4.5819 4.7602 4.7602 5.3845 5.3845 5.8527 5.8527 6.2346 6.2346 6.7170 6.7170 6.9445 6.9445 7.1637 7.1637 7.1773 7.1773 7.5349 7.5349 7.7481 7.7481 8.3602 8.3602 9.0261 9.0261 10.4600 10.4600 10.6420 10.6420 10.8048 10.8048 10.9891 10.9891 k = 0.0000 0.0000 0.2012 ( 6810 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0261 -7.0261 -6.9307 -6.9307 -5.0699 -5.0699 -4.0770 -4.0770 -3.2744 -3.2744 -3.2510 -3.2510 1.9072 1.9072 2.1066 2.1066 2.4897 2.4897 3.3155 3.3155 4.4510 4.4510 4.5819 4.5819 4.7602 4.7602 5.3845 5.3845 5.8527 5.8527 6.2346 6.2346 6.7170 6.7170 6.9445 6.9445 7.1637 7.1637 7.1773 7.1773 7.5349 7.5349 7.7481 7.7481 8.3602 8.3602 9.0261 9.0261 10.4600 10.4600 10.6420 10.6420 10.8048 10.8048 10.9891 10.9891 k = 0.0000 0.0117 0.2012 ( 6804 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0254 -7.0254 -6.9299 -6.9299 -5.0692 -5.0692 -4.0782 -4.0782 -3.2792 -3.2792 -3.2514 -3.2514 1.9122 1.9122 2.1119 2.1119 2.4892 2.4892 3.3189 3.3189 4.4504 4.4504 4.5823 4.5823 4.7605 4.7605 5.3846 5.3846 5.8528 5.8528 6.2346 6.2346 6.7157 6.7157 6.9427 6.9427 7.1597 7.1597 7.1782 7.1782 7.5327 7.5327 7.7456 7.7456 8.3617 8.3617 9.0265 9.0265 10.4479 10.4479 10.6380 10.6380 10.8058 10.8058 11.0022 11.0022 k = 0.0000 0.0234 0.2012 ( 6808 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5467 -20.5467 -18.8561 -18.8561 -18.8345 -18.8345 -18.7565 -18.7565 -18.7416 -18.7416 -7.0232 -7.0232 -6.9276 -6.9276 -5.0673 -5.0673 -4.0817 -4.0817 -3.2917 -3.2917 -3.2538 -3.2538 1.9271 1.9271 2.1277 2.1277 2.4878 2.4878 3.3291 3.3291 4.4483 4.4483 4.5834 4.5834 4.7613 4.7613 5.3851 5.3851 5.8530 5.8530 6.2345 6.2345 6.7118 6.7118 6.9373 6.9373 7.1493 7.1493 7.1793 7.1793 7.5259 7.5259 7.7384 7.7384 8.3664 8.3664 9.0278 9.0278 10.4153 10.4153 10.6266 10.6266 10.8080 10.8080 11.0375 11.0375 k = 0.0000 0.0351 0.2012 ( 6808 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5602 -20.5602 -20.5467 -20.5467 -18.8560 -18.8560 -18.8346 -18.8346 -18.7565 -18.7565 -18.7417 -18.7417 -7.0195 -7.0195 -6.9238 -6.9238 -5.0642 -5.0642 -4.0876 -4.0876 -3.3102 -3.3102 -3.2600 -3.2600 1.9517 1.9517 2.1538 2.1538 2.4856 2.4856 3.3458 3.3458 4.4448 4.4448 4.5854 4.5854 4.7626 4.7626 5.3858 5.3858 5.8535 5.8535 6.2342 6.2342 6.7054 6.7054 6.9283 6.9283 7.1337 7.1337 7.1795 7.1795 7.5135 7.5135 7.7282 7.7282 8.3740 8.3740 9.0299 9.0299 10.3691 10.3691 10.6089 10.6089 10.8108 10.8108 11.0854 11.0854 k = 0.0000 0.0468 0.2012 ( 6814 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5602 -20.5602 -20.5468 -20.5468 -18.8559 -18.8559 -18.8347 -18.8347 -18.7565 -18.7565 -18.7418 -18.7418 -7.0144 -7.0144 -6.9185 -6.9185 -5.0598 -5.0598 -4.0959 -4.0959 -3.3335 -3.3335 -3.2706 -3.2706 1.9860 1.9860 2.1899 2.1899 2.4831 2.4831 3.3690 3.3690 4.4397 4.4397 4.5881 4.5881 4.7645 4.7645 5.3869 5.3869 5.8542 5.8542 6.2335 6.2335 6.6967 6.6967 6.9156 6.9156 7.1133 7.1133 7.1785 7.1785 7.4949 7.4949 7.7166 7.7166 8.3847 8.3847 9.0326 9.0326 10.3158 10.3158 10.5854 10.5854 10.8141 10.8141 11.1347 11.1347 k = 0.0000 0.0586 0.2012 ( 6812 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5601 -20.5601 -20.5469 -20.5469 -18.8558 -18.8558 -18.8349 -18.8349 -18.7564 -18.7564 -18.7420 -18.7420 -7.0079 -7.0079 -6.9117 -6.9117 -5.0542 -5.0542 -4.1066 -4.1066 -3.3611 -3.3611 -3.2854 -3.2854 2.0295 2.0295 2.2354 2.2354 2.4807 2.4807 3.3981 3.3981 4.4329 4.4329 4.5915 4.5915 4.7669 4.7669 5.3885 5.3885 5.8551 5.8551 6.2322 6.2322 6.6857 6.6857 6.8990 6.8990 7.0879 7.0879 7.1763 7.1763 7.4702 7.4702 7.7053 7.7053 8.3981 8.3981 9.0357 9.0357 10.2593 10.2593 10.5562 10.5562 10.8178 10.8178 11.1675 11.1675 k = 0.0000 0.0703 0.2012 ( 6821 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5601 -20.5601 -20.5471 -20.5471 -18.8557 -18.8557 -18.8351 -18.8351 -18.7564 -18.7564 -18.7422 -18.7422 -7.0001 -7.0001 -6.9036 -6.9036 -5.0475 -5.0475 -4.1196 -4.1196 -3.3925 -3.3925 -3.3044 -3.3044 2.0819 2.0819 2.2899 2.2899 2.4789 2.4789 3.4331 3.4331 4.4242 4.4242 4.5957 4.5957 4.7697 4.7697 5.3906 5.3906 5.8564 5.8564 6.2299 6.2299 6.6726 6.6726 6.8786 6.8786 7.0576 7.0576 7.1726 7.1726 7.4408 7.4408 7.6950 7.6950 8.4142 8.4142 9.0391 9.0391 10.2016 10.2016 10.5219 10.5219 10.8222 10.8222 11.1790 11.1790 k = 0.0000 0.0820 0.2012 ( 6816 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5600 -20.5600 -20.5472 -20.5472 -18.8555 -18.8555 -18.8353 -18.8353 -18.7563 -18.7563 -18.7424 -18.7424 -6.9909 -6.9909 -6.8940 -6.8940 -5.0396 -5.0396 -4.1350 -4.1350 -3.4271 -3.4271 -3.3271 -3.3271 2.1426 2.1426 2.3523 2.3523 2.4783 2.4783 3.4735 3.4735 4.4135 4.4135 4.6006 4.6006 4.7731 4.7731 5.3933 5.3933 5.8580 5.8580 6.2262 6.2262 6.6573 6.6573 6.8542 6.8542 7.0222 7.0222 7.1671 7.1671 7.4096 7.4096 7.6855 7.6855 8.4328 8.4328 9.0426 9.0426 10.1436 10.1436 10.4826 10.4826 10.8270 10.8270 11.1355 11.1355 k = 0.0000 0.0937 0.2012 ( 6816 PWs) bands (ev): -41.3127 -41.3127 -41.3115 -41.3115 -20.5599 -20.5599 -20.5474 -20.5474 -18.8554 -18.8554 -18.8355 -18.8355 -18.7563 -18.7563 -18.7426 -18.7426 -6.9804 -6.9804 -6.8831 -6.8831 -5.0307 -5.0307 -4.1528 -4.1528 -3.4643 -3.4643 -3.3531 -3.3531 2.2111 2.2111 2.4204 2.4204 2.4814 2.4814 3.5192 3.5192 4.4004 4.4004 4.6061 4.6061 4.7769 4.7769 5.3968 5.3968 5.8601 5.8601 6.2208 6.2208 6.6393 6.6393 6.8261 6.8261 6.9818 6.9818 7.1597 7.1597 7.3798 7.3798 7.6763 7.6763 8.4536 8.4536 9.0460 9.0460 10.0853 10.0853 10.4390 10.4390 10.8319 10.8319 11.0722 11.0722 k = 0.0000 0.1054 0.2012 ( 6813 PWs) bands (ev): -41.3127 -41.3127 -41.3115 -41.3115 -20.5598 -20.5598 -20.5476 -20.5476 -18.8551 -18.8551 -18.8358 -18.8358 -18.7562 -18.7562 -18.7429 -18.7429 -6.9688 -6.9688 -6.8710 -6.8710 -5.0208 -5.0208 -4.1730 -4.1730 -3.5037 -3.5037 -3.3820 -3.3820 2.2863 2.2863 2.4697 2.4697 2.5122 2.5122 3.5701 3.5701 4.3848 4.3848 4.6122 4.6122 4.7811 4.7811 5.4012 5.4012 5.8626 5.8626 6.2131 6.2131 6.6174 6.6174 6.7948 6.7948 6.9370 6.9370 7.1503 7.1503 7.3542 7.3542 7.6669 7.6669 8.4764 8.4764 9.0491 9.0491 10.0262 10.0262 10.3916 10.3916 10.8353 10.8353 10.9944 10.9944 k = 0.0000 0.1171 0.2012 ( 6808 PWs) bands (ev): -41.3127 -41.3127 -41.3114 -41.3114 -20.5596 -20.5596 -20.5478 -20.5478 -18.8549 -18.8549 -18.8362 -18.8362 -18.7561 -18.7561 -18.7432 -18.7432 -6.9561 -6.9561 -6.8578 -6.8578 -5.0100 -5.0100 -4.1955 -4.1955 -3.5446 -3.5446 -3.4133 -3.4133 2.3663 2.3663 2.4819 2.4819 2.5904 2.5904 3.6259 3.6259 4.3665 4.3665 4.6188 4.6188 4.7856 4.7856 5.4067 5.4067 5.8657 5.8657 6.2027 6.2027 6.5894 6.5894 6.7617 6.7617 6.8894 6.8894 7.1394 7.1394 7.3342 7.3342 7.6567 7.6567 8.5009 8.5009 9.0517 9.0517 9.9652 9.9652 10.3408 10.3408 10.8282 10.8282 10.9119 10.9119 k = 0.0000 0.1288 0.2012 ( 6802 PWs) bands (ev): -41.3127 -41.3127 -41.3114 -41.3114 -20.5595 -20.5595 -20.5481 -20.5481 -18.8547 -18.8547 -18.8365 -18.8365 -18.7560 -18.7560 -18.7436 -18.7436 -6.9423 -6.9423 -6.8434 -6.8434 -4.9984 -4.9984 -4.2202 -4.2202 -3.5867 -3.5867 -3.4466 -3.4466 2.4408 2.4408 2.5031 2.5031 2.6786 2.6786 3.6867 3.6867 4.3453 4.3453 4.6260 4.6260 4.7905 4.7905 5.4133 5.4133 5.8694 5.8694 6.1891 6.1891 6.5522 6.5522 6.7293 6.7293 6.8411 6.8411 7.1278 7.1278 7.3199 7.3199 7.6453 7.6453 8.5267 8.5267 9.0538 9.0538 9.9008 9.9008 10.2870 10.2870 10.7626 10.7626 10.8741 10.8741 k = 0.0000 0.1405 0.2012 ( 6808 PWs) bands (ev): -41.3127 -41.3127 -41.3115 -41.3115 -20.5593 -20.5593 -20.5483 -20.5483 -18.8544 -18.8544 -18.8369 -18.8369 -18.7559 -18.7559 -18.7439 -18.7439 -6.9277 -6.9277 -6.8281 -6.8281 -4.9861 -4.9861 -4.2470 -4.2470 -3.6292 -3.6292 -3.4812 -3.4812 2.4762 2.4762 2.5703 2.5703 2.7720 2.7720 3.7526 3.7526 4.3211 4.3211 4.6336 4.6336 4.7957 4.7957 5.4213 5.4213 5.8738 5.8738 6.1719 6.1719 6.5034 6.5034 6.7002 6.7002 6.7941 6.7941 7.1164 7.1164 7.3104 7.3104 7.6326 7.6326 8.5535 8.5535 9.0552 9.0552 9.8311 9.8311 10.2305 10.2305 10.6490 10.6490 10.8712 10.8712 k = 0.0000 0.1523 0.2012 ( 6815 PWs) bands (ev): -41.3127 -41.3127 -41.3115 -41.3115 -20.5592 -20.5592 -20.5486 -20.5486 -18.8541 -18.8541 -18.8373 -18.8373 -18.7558 -18.7558 -18.7443 -18.7443 -6.9123 -6.9123 -6.8120 -6.8120 -4.9732 -4.9732 -4.2757 -4.2757 -3.6717 -3.6717 -3.5169 -3.5169 2.4918 2.4918 2.6642 2.6642 2.8690 2.8690 3.8237 3.8237 4.2941 4.2941 4.6416 4.6416 4.8011 4.8011 5.4308 5.4308 5.8790 5.8790 6.1504 6.1504 6.4435 6.4435 6.6749 6.6749 6.7497 6.7497 7.1060 7.1060 7.3048 7.3048 7.6185 7.6185 8.5807 8.5807 9.0557 9.0557 9.7540 9.7540 10.1710 10.1710 10.5226 10.5226 10.8085 10.8085 k = 0.0000 0.1640 0.2012 ( 6812 PWs) bands (ev): -41.3127 -41.3127 -41.3115 -41.3115 -20.5590 -20.5590 -20.5489 -20.5489 -18.8538 -18.8538 -18.8377 -18.8377 -18.7557 -18.7557 -18.7447 -18.7447 -6.8962 -6.8962 -6.7951 -6.7951 -4.9598 -4.9598 -4.3062 -4.3062 -3.7137 -3.7137 -3.5532 -3.5532 2.5065 2.5065 2.7654 2.7654 2.9685 2.9685 3.8999 3.8999 4.2643 4.2643 4.6499 4.6499 4.8067 4.8067 5.4418 5.4418 5.8851 5.8851 6.1239 6.1239 6.3760 6.3760 6.6512 6.6512 6.7092 6.7092 7.0971 7.0971 7.3021 7.3021 7.6030 7.6030 8.6079 8.6079 9.0551 9.0551 9.6675 9.6675 10.1070 10.1070 10.3929 10.3929 10.6975 10.6975 k = 0.0000 0.1757 0.2012 ( 6808 PWs) bands (ev): -41.3126 -41.3126 -41.3115 -41.3115 -20.5588 -20.5588 -20.5492 -20.5492 -18.8534 -18.8534 -18.8382 -18.8382 -18.7556 -18.7556 -18.7451 -18.7451 -6.8796 -6.8796 -6.7776 -6.7776 -4.9461 -4.9461 -4.3382 -4.3382 -3.7548 -3.7548 -3.5897 -3.5897 2.5229 2.5229 2.8701 2.8701 3.0696 3.0696 3.9812 3.9812 4.2323 4.2323 4.6584 4.6584 4.8124 4.8124 5.4545 5.4545 5.8920 5.8920 6.0908 6.0908 6.3056 6.3056 6.6247 6.6247 6.6750 6.6750 7.0898 7.0898 7.3014 7.3014 7.5862 7.5862 8.6344 8.6344 9.0529 9.0529 9.5703 9.5703 10.0345 10.0345 10.2683 10.2683 10.5923 10.5923 k = 0.0000 0.1874 0.2012 ( 6815 PWs) bands (ev): -41.3126 -41.3126 -41.3115 -41.3115 -20.5586 -20.5586 -20.5495 -20.5495 -18.8531 -18.8531 -18.8386 -18.8386 -18.7554 -18.7554 -18.7456 -18.7456 -6.8627 -6.8627 -6.7597 -6.7597 -4.9321 -4.9321 -4.3713 -4.3713 -3.7943 -3.7943 -3.6261 -3.6261 2.5419 2.5419 2.9767 2.9767 3.1710 3.1710 4.0662 4.0662 4.2002 4.2002 4.6671 4.6671 4.8180 4.8180 5.4689 5.4689 5.8995 5.8995 6.0494 6.0494 6.2374 6.2374 6.5920 6.5920 6.6488 6.6488 7.0844 7.0844 7.3024 7.3024 7.5683 7.5683 8.6593 8.6593 9.0484 9.0484 9.4626 9.4626 9.9460 9.9460 10.1603 10.1603 10.4976 10.4976 k = 0.0000 0.1991 0.2012 ( 6819 PWs) bands (ev): -41.3126 -41.3126 -41.3116 -41.3116 -20.5584 -20.5584 -20.5498 -20.5498 -18.8527 -18.8527 -18.8391 -18.8391 -18.7553 -18.7553 -18.7460 -18.7460 -6.8456 -6.8456 -6.7416 -6.7416 -4.9181 -4.9181 -4.4053 -4.4053 -3.8319 -3.8319 -3.6621 -3.6621 2.5636 2.5636 3.0835 3.0835 3.2717 3.2717 4.1324 4.1324 4.1912 4.1912 4.6759 4.6759 4.8236 4.8236 5.4849 5.4849 5.9070 5.9070 5.9986 5.9986 6.1760 6.1760 6.5547 6.5547 6.6275 6.6275 7.0805 7.0805 7.3045 7.3045 7.5494 7.5494 8.6815 8.6815 9.0395 9.0395 9.3477 9.3477 9.8366 9.8366 10.0770 10.0770 10.4148 10.4148 k = 0.0000 0.2108 0.2012 ( 6820 PWs) bands (ev): -41.3126 -41.3126 -41.3116 -41.3116 -20.5581 -20.5581 -20.5502 -20.5502 -18.8523 -18.8523 -18.8396 -18.8396 -18.7551 -18.7551 -18.7465 -18.7465 -6.8286 -6.8286 -6.7234 -6.7234 -4.9042 -4.9042 -4.4398 -4.4398 -3.8672 -3.8672 -3.6975 -3.6975 2.5882 2.5882 3.1889 3.1889 3.3703 3.3703 4.1140 4.1140 4.2721 4.2721 4.6847 4.6847 4.8291 4.8291 5.5025 5.5025 5.9057 5.9057 5.9474 5.9474 6.1229 6.1229 6.5156 6.5156 6.6074 6.6074 7.0780 7.0780 7.3073 7.3073 7.5297 7.5297 8.6997 8.6997 9.0199 9.0199 9.2346 9.2346 9.7132 9.7132 10.0152 10.0152 10.3437 10.3437 k = 0.0000 0.2225 0.2012 ( 6803 PWs) bands (ev): -41.3125 -41.3125 -41.3116 -41.3116 -20.5579 -20.5579 -20.5505 -20.5505 -18.8519 -18.8519 -18.8402 -18.8402 -18.7549 -18.7549 -18.7469 -18.7469 -6.8119 -6.8119 -6.7053 -6.7053 -4.8905 -4.8905 -4.4743 -4.4743 -3.8996 -3.8996 -3.7320 -3.7320 2.6155 2.6155 3.2909 3.2909 3.4651 3.4651 4.0809 4.0809 4.3747 4.3747 4.6935 4.6935 4.8343 4.8343 5.5215 5.5215 5.8552 5.8552 5.9397 5.9397 6.0767 6.0767 6.4759 6.4759 6.5863 6.5863 7.0766 7.0766 7.3106 7.3106 7.5095 7.5095 8.7115 8.7115 8.9705 8.9705 9.1464 9.1464 9.5865 9.5865 9.9676 9.9676 10.2830 10.2830 k = 0.0000 0.2342 0.2012 ( 6801 PWs) bands (ev): -41.3125 -41.3125 -41.3116 -41.3116 -20.5576 -20.5576 -20.5509 -20.5509 -18.8514 -18.8514 -18.8407 -18.8407 -18.7547 -18.7547 -18.7474 -18.7474 -6.7957 -6.7957 -6.6876 -6.6876 -4.8771 -4.8771 -4.5086 -4.5086 -3.9290 -3.9290 -3.7655 -3.7655 2.6457 2.6457 3.3869 3.3869 3.5540 3.5540 4.0508 4.0508 4.4837 4.4837 4.7024 4.7024 4.8393 4.8393 5.5416 5.5416 5.7854 5.7854 5.9500 5.9500 6.0346 6.0346 6.4364 6.4364 6.5630 6.5630 7.0755 7.0755 7.3140 7.3140 7.4891 7.4891 8.7128 8.7128 8.8778 8.8778 9.1025 9.1025 9.4646 9.4646 9.9303 9.9303 10.2310 10.2310 k = 0.0000 0.2460 0.2012 ( 6807 PWs) bands (ev): -41.3124 -41.3124 -41.3117 -41.3117 -20.5574 -20.5574 -20.5513 -20.5513 -18.8510 -18.8510 -18.8413 -18.8413 -18.7544 -18.7544 -18.7478 -18.7478 -6.7803 -6.7803 -6.6704 -6.6704 -4.8640 -4.8640 -4.5421 -4.5421 -3.9549 -3.9549 -3.7977 -3.7977 2.6785 2.6785 3.4722 3.4722 3.6345 3.6345 4.0302 4.0302 4.5961 4.5961 4.7120 4.7120 4.8440 4.8440 5.5622 5.5622 5.7154 5.7154 5.9619 5.9619 5.9957 5.9957 6.3973 6.3973 6.5371 6.5371 7.0740 7.0740 7.3173 7.3173 7.4686 7.4686 8.6888 8.6888 8.7772 8.7772 9.0832 9.0832 9.3541 9.3541 9.9014 9.9014 10.1858 10.1858 k = 0.0000 0.2577 0.2012 ( 6813 PWs) bands (ev): -41.3124 -41.3124 -41.3117 -41.3117 -20.5571 -20.5571 -20.5516 -20.5516 -18.8505 -18.8505 -18.8418 -18.8418 -18.7542 -18.7542 -18.7483 -18.7483 -6.7659 -6.7659 -6.6540 -6.6540 -4.8514 -4.8514 -4.5746 -4.5746 -3.9772 -3.9772 -3.8282 -3.8282 2.7138 2.7138 3.5386 3.5386 3.7058 3.7058 4.0263 4.0263 4.6970 4.6970 4.7355 4.7355 4.8486 4.8486 5.5800 5.5800 5.6521 5.6521 5.9494 5.9494 5.9839 5.9839 6.3589 6.3589 6.5084 6.5084 7.0712 7.0712 7.3202 7.3202 7.4485 7.4485 8.6054 8.6054 8.7207 8.7207 9.0714 9.0714 9.2609 9.2609 9.8802 9.8802 10.1461 10.1461 k = 0.0000 0.2694 0.2012 ( 6804 PWs) bands (ev): -41.3123 -41.3123 -41.3118 -41.3118 -20.5568 -20.5568 -20.5520 -20.5520 -18.8500 -18.8500 -18.8424 -18.8424 -18.7539 -18.7539 -18.7487 -18.7487 -6.7528 -6.7528 -6.6385 -6.6385 -4.8390 -4.8390 -4.6056 -4.6056 -3.9958 -3.9958 -3.8569 -3.8569 2.7513 2.7513 3.5749 3.5749 3.7727 3.7727 4.0435 4.0435 4.7201 4.7201 4.8320 4.8320 4.8584 4.8584 5.5664 5.5664 5.6264 5.6264 5.9107 5.9107 5.9993 5.9993 6.3212 6.3212 6.4772 6.4772 7.0659 7.0659 7.3226 7.3226 7.4288 7.4288 8.4988 8.4988 8.6795 8.6795 9.0609 9.0609 9.1897 9.1897 9.8664 9.8664 10.1105 10.1105 k = 0.0000 0.2811 0.2012 ( 6809 PWs) bands (ev): -41.3123 -41.3123 -41.3118 -41.3118 -20.5565 -20.5565 -20.5524 -20.5524 -18.8495 -18.8495 -18.8429 -18.8429 -18.7537 -18.7537 -18.7492 -18.7492 -6.7412 -6.7412 -6.6243 -6.6243 -4.8269 -4.8269 -4.6349 -4.6349 -4.0110 -4.0110 -3.8831 -3.8831 2.7906 2.7906 3.5780 3.5780 3.8409 3.8409 4.0769 4.0769 4.7281 4.7281 4.8528 4.8528 4.9571 4.9571 5.5172 5.5172 5.6440 5.6440 5.8694 5.8694 6.0178 6.0178 6.2845 6.2845 6.4445 6.4445 7.0570 7.0570 7.3247 7.3247 7.4098 7.4098 8.3999 8.3999 8.6297 8.6297 9.0489 9.0489 9.1422 9.1422 9.8594 9.8594 10.0782 10.0782 k = 0.0000 0.2928 0.2012 ( 6809 PWs) bands (ev): -41.3123 -41.3123 -41.3118 -41.3118 -20.5561 -20.5561 -20.5528 -20.5528 -18.8490 -18.8490 -18.8435 -18.8435 -18.7534 -18.7534 -18.7496 -18.7496 -6.7314 -6.7314 -6.6115 -6.6115 -4.8148 -4.8148 -4.6622 -4.6622 -4.0231 -4.0231 -3.9063 -3.9063 2.8314 2.8314 3.5569 3.5569 3.9097 3.9097 4.1155 4.1155 4.7344 4.7344 4.8561 4.8561 5.0703 5.0703 5.4700 5.4700 5.6685 5.6685 5.8260 5.8260 6.0379 6.0379 6.2491 6.2491 6.4119 6.4119 7.0438 7.0438 7.3269 7.3269 7.3918 7.3918 8.3167 8.3167 8.5724 8.5724 9.0351 9.0351 9.1146 9.1146 9.8587 9.8587 10.0486 10.0486 k = 0.0000 0.3045 0.2012 ( 6800 PWs) bands (ev): -41.3122 -41.3122 -41.3119 -41.3119 -20.5558 -20.5558 -20.5531 -20.5531 -18.8485 -18.8485 -18.8441 -18.8441 -18.7531 -18.7531 -18.7500 -18.7500 -6.7236 -6.7236 -6.6003 -6.6003 -4.8026 -4.8026 -4.6872 -4.6872 -4.0329 -4.0329 -3.9254 -3.9254 2.8730 2.8730 3.5224 3.5224 3.9759 3.9759 4.1496 4.1496 4.7397 4.7397 4.8584 4.8584 5.1772 5.1772 5.4302 5.4302 5.6953 5.6953 5.7796 5.7796 6.0592 6.0592 6.2152 6.2152 6.3821 6.3821 7.0266 7.0266 7.3291 7.3291 7.3755 7.3755 8.2528 8.2528 8.5139 8.5139 9.0217 9.0217 9.0994 9.0994 9.8637 9.8637 10.0212 10.0212 k = 0.0000 0.3162 0.2012 ( 6799 PWs) bands (ev): -41.3122 -41.3122 -41.3119 -41.3119 -20.5555 -20.5555 -20.5535 -20.5535 -18.8479 -18.8479 -18.8446 -18.8446 -18.7528 -18.7528 -18.7504 -18.7504 -6.7180 -6.7180 -6.5909 -6.5909 -4.7902 -4.7902 -4.7096 -4.7096 -4.0416 -4.0416 -3.9394 -3.9394 2.9144 2.9144 3.4817 3.4817 4.0358 4.0358 4.1739 4.1739 4.7440 4.7440 4.8601 4.8601 5.2725 5.2725 5.3990 5.3990 5.7209 5.7209 5.7323 5.7323 6.0813 6.0813 6.1838 6.1838 6.3586 6.3586 7.0069 7.0069 7.3293 7.3293 7.3637 7.3637 8.2094 8.2094 8.4603 8.4603 9.0104 9.0104 9.0903 9.0903 9.8735 9.8735 9.9957 9.9957 k = 0.0000 0.3279 0.2012 ( 6799 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5551 -20.5551 -20.5539 -20.5539 -18.8474 -18.8474 -18.8452 -18.8452 -18.7525 -18.7525 -18.7508 -18.7508 -6.7147 -6.7147 -6.5835 -6.5835 -4.7779 -4.7779 -4.7287 -4.7287 -4.0502 -4.0502 -3.9469 -3.9469 2.9542 2.9542 3.4395 3.4395 4.0853 4.0853 4.1875 4.1875 4.7472 4.7472 4.8613 4.8613 5.3406 5.3406 5.3856 5.3856 5.6712 5.6712 5.7573 5.7573 6.1007 6.1007 6.1583 6.1583 6.3457 6.3457 6.9878 6.9878 7.3226 7.3226 7.3619 7.3619 8.1859 8.1859 8.4167 8.4167 9.0014 9.0014 9.0840 9.0840 9.8874 9.8874 9.9721 9.9721 k = 0.0000 0.3279 0.2012 ( 6799 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5551 -20.5551 -20.5539 -20.5539 -18.8474 -18.8474 -18.8452 -18.8452 -18.7525 -18.7525 -18.7508 -18.7508 -6.7147 -6.7147 -6.5835 -6.5835 -4.7779 -4.7779 -4.7287 -4.7287 -4.0502 -4.0502 -3.9469 -3.9469 2.9542 2.9542 3.4395 3.4395 4.0853 4.0853 4.1875 4.1875 4.7472 4.7472 4.8613 4.8613 5.3406 5.3406 5.3856 5.3856 5.6712 5.6712 5.7573 5.7573 6.1007 6.1007 6.1583 6.1583 6.3457 6.3457 6.9878 6.9878 7.3226 7.3226 7.3619 7.3619 8.1859 8.1859 8.4167 8.4167 9.0014 9.0014 9.0840 9.0840 9.8874 9.8874 9.9721 9.9721 k = 0.0000 0.3320 0.1920 ( 6803 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5550 -20.5550 -20.5540 -20.5540 -18.8473 -18.8473 -18.8453 -18.8453 -18.7524 -18.7524 -18.7509 -18.7509 -6.7144 -6.7144 -6.5809 -6.5809 -4.7768 -4.7768 -4.7331 -4.7331 -4.0541 -4.0541 -3.9452 -3.9452 2.9683 2.9683 3.4118 3.4118 4.0955 4.0955 4.1947 4.1947 4.7467 4.7467 4.8618 4.8618 5.3628 5.3628 5.4047 5.4047 5.6631 5.6631 5.7674 5.7674 6.1059 6.1059 6.1583 6.1583 6.3388 6.3388 6.9594 6.9594 7.3164 7.3164 7.3560 7.3560 8.1808 8.1808 8.4048 8.4048 8.9977 8.9977 9.0824 9.0824 9.8971 9.8971 9.9644 9.9644 k = 0.0000 0.3361 0.1828 ( 6792 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5549 -20.5549 -20.5541 -20.5541 -18.8471 -18.8471 -18.8455 -18.8455 -18.7523 -18.7523 -18.7510 -18.7510 -6.7142 -6.7142 -6.5788 -6.5788 -4.7758 -4.7758 -4.7368 -4.7368 -4.0571 -4.0571 -3.9439 -3.9439 2.9814 2.9814 3.3876 3.3876 4.1042 4.1042 4.2000 4.2000 4.7464 4.7464 4.8622 4.8622 5.3838 5.3838 5.4200 5.4200 5.6547 5.6547 5.7715 5.7715 6.1081 6.1081 6.1585 6.1585 6.3403 6.3403 6.9340 6.9340 7.3115 7.3115 7.3514 7.3514 8.1768 8.1768 8.3953 8.3953 8.9948 8.9948 9.0811 9.0811 9.9065 9.9065 9.9567 9.9567 k = 0.0000 0.3402 0.1736 ( 6793 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5548 -20.5548 -20.5542 -20.5542 -18.8470 -18.8470 -18.8456 -18.8456 -18.7522 -18.7522 -18.7511 -18.7511 -6.7141 -6.7141 -6.5772 -6.5772 -4.7750 -4.7750 -4.7395 -4.7395 -4.0593 -4.0593 -3.9428 -3.9428 2.9922 2.9922 3.3686 3.3686 4.1108 4.1108 4.2036 4.2036 4.7462 4.7462 4.8624 4.8624 5.4027 5.4027 5.4299 5.4299 5.6474 5.6474 5.7715 5.7715 6.1086 6.1086 6.1587 6.1587 6.3460 6.3460 6.9137 6.9137 7.3080 7.3080 7.3480 7.3480 8.1740 8.1740 8.3884 8.3884 8.9927 8.9927 9.0802 9.0802 9.9156 9.9156 9.9489 9.9489 k = 0.0000 0.3443 0.1644 ( 6797 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5547 -20.5547 -20.5544 -20.5544 -18.8469 -18.8469 -18.8457 -18.8457 -18.7521 -18.7521 -18.7512 -18.7512 -6.7141 -6.7141 -6.5763 -6.5763 -4.7745 -4.7745 -4.7412 -4.7412 -4.0606 -4.0606 -3.9422 -3.9422 2.9994 2.9994 3.3564 3.3564 4.1149 4.1149 4.2056 4.2056 4.7460 4.7460 4.8626 4.8626 5.4183 5.4183 5.4330 5.4330 5.6424 5.6424 5.7701 5.7701 6.1086 6.1086 6.1588 6.1588 6.3517 6.3517 6.9004 6.9004 7.3059 7.3059 7.3460 7.3460 8.1723 8.1723 8.3843 8.3843 8.9915 8.9915 9.0796 9.0796 9.9244 9.9244 9.9410 9.9410 k = 0.0000 0.3484 0.1552 ( 6804 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5546 -20.5546 -20.5544 -20.5544 -18.8469 -18.8469 -18.8457 -18.8457 -18.7521 -18.7521 -18.7512 -18.7512 -6.7141 -6.7141 -6.5759 -6.5759 -4.7743 -4.7743 -4.7418 -4.7418 -4.0610 -4.0610 -3.9420 -3.9420 3.0019 3.0019 3.3521 3.3521 4.1163 4.1163 4.2063 4.2063 4.7460 4.7460 4.8626 4.8626 5.4287 5.4287 5.4291 5.4291 5.6406 5.6406 5.7693 5.7693 6.1085 6.1085 6.1588 6.1588 6.3540 6.3540 6.8958 6.8958 7.3052 7.3052 7.3453 7.3453 8.1717 8.1717 8.3829 8.3829 8.9910 8.9910 9.0794 9.0794 9.9326 9.9326 9.9330 9.9330 k = 0.0000 0.3484 0.1552 ( 6804 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5546 -20.5546 -20.5544 -20.5544 -18.8469 -18.8469 -18.8457 -18.8457 -18.7521 -18.7521 -18.7512 -18.7512 -6.7141 -6.7141 -6.5759 -6.5759 -4.7743 -4.7743 -4.7418 -4.7418 -4.0610 -4.0610 -3.9420 -3.9420 3.0019 3.0019 3.3521 3.3521 4.1163 4.1163 4.2063 4.2063 4.7460 4.7460 4.8626 4.8626 5.4287 5.4287 5.4291 5.4291 5.6406 5.6406 5.7693 5.7693 6.1085 6.1085 6.1588 6.1588 6.3540 6.3540 6.8958 6.8958 7.3052 7.3052 7.3453 7.3453 8.1717 8.1717 8.3829 8.3829 8.9910 8.9910 9.0794 9.0794 9.9326 9.9326 9.9330 9.9330 k = 0.0119 0.3484 0.1552 ( 6800 PWs) bands (ev): -41.3120 -41.3120 -41.3120 -41.3120 -20.5548 -20.5548 -20.5543 -20.5543 -18.8471 -18.8471 -18.8456 -18.8456 -18.7522 -18.7522 -18.7512 -18.7512 -6.7136 -6.7136 -6.5755 -6.5755 -4.7738 -4.7738 -4.7413 -4.7413 -4.0608 -4.0608 -3.9419 -3.9419 3.0034 3.0034 3.3534 3.3534 4.1166 4.1166 4.2062 4.2062 4.7437 4.7437 4.8590 4.8590 5.4196 5.4196 5.4276 5.4276 5.6413 5.6413 5.7705 5.7705 6.1090 6.1090 6.1547 6.1547 6.3591 6.3591 6.8961 6.8961 7.3005 7.3005 7.3409 7.3409 8.1722 8.1722 8.3835 8.3835 8.9955 8.9955 9.0846 9.0846 9.9344 9.9344 9.9357 9.9357 k = 0.0238 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3120 -41.3120 -41.3120 -41.3120 -20.5552 -20.5552 -20.5542 -20.5542 -18.8475 -18.8475 -18.8455 -18.8455 -18.7524 -18.7524 -18.7514 -18.7514 -6.7122 -6.7122 -6.5742 -6.5742 -4.7724 -4.7724 -4.7399 -4.7399 -4.0603 -4.0603 -3.9415 -3.9415 3.0078 3.0078 3.3572 3.3572 4.1174 4.1174 4.2061 4.2061 4.7368 4.7368 4.8485 4.8485 5.4005 5.4005 5.4151 5.4151 5.6436 5.6436 5.7736 5.7736 6.1098 6.1098 6.1443 6.1443 6.3726 6.3726 6.8969 6.8969 7.2867 7.2867 7.3281 7.3281 8.1736 8.1736 8.3854 8.3854 9.0088 9.0088 9.0999 9.0999 9.9406 9.9406 9.9431 9.9431 k = 0.0357 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3119 -41.3119 -41.3119 -41.3119 -20.5556 -20.5556 -20.5541 -20.5541 -18.8480 -18.8480 -18.8454 -18.8454 -18.7527 -18.7527 -18.7518 -18.7518 -6.7097 -6.7097 -6.5721 -6.5721 -4.7701 -4.7701 -4.7376 -4.7376 -4.0594 -4.0594 -3.9409 -3.9409 3.0151 3.0151 3.3635 3.3635 4.1187 4.1187 4.2056 4.2056 4.7255 4.7255 4.8317 4.8317 5.3723 5.3723 5.3918 5.3918 5.6474 5.6474 5.7780 5.7780 6.1081 6.1081 6.1334 6.1334 6.3908 6.3908 6.8978 6.8978 7.2648 7.2648 7.3080 7.3080 8.1759 8.1759 8.3881 8.3881 9.0304 9.0304 9.1245 9.1245 9.9510 9.9510 9.9549 9.9549 k = 0.0476 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3119 -41.3119 -41.3119 -41.3119 -20.5561 -20.5561 -20.5542 -20.5542 -18.8486 -18.8486 -18.8453 -18.8453 -18.7532 -18.7532 -18.7522 -18.7522 -6.7064 -6.7064 -6.5691 -6.5691 -4.7668 -4.7668 -4.7344 -4.7344 -4.0581 -4.0581 -3.9400 -3.9400 3.0253 3.0253 3.3722 3.3722 4.1205 4.1205 4.2048 4.2048 4.7102 4.7102 4.8095 4.8095 5.3357 5.3357 5.3585 5.3585 5.6522 5.6522 5.7825 5.7825 6.0984 6.0984 6.1296 6.1296 6.4103 6.4103 6.8985 6.8985 7.2363 7.2363 7.2824 7.2824 8.1787 8.1787 8.3913 8.3913 9.0595 9.0595 9.1575 9.1575 9.9655 9.9655 9.9707 9.9707 k = 0.0595 0.3484 0.1552 ( 6788 PWs) bands (ev): -41.3118 -41.3118 -41.3118 -41.3118 -20.5567 -20.5567 -20.5543 -20.5543 -18.8494 -18.8494 -18.8453 -18.8453 -18.7538 -18.7538 -18.7528 -18.7528 -6.7021 -6.7021 -6.5653 -6.5653 -4.7627 -4.7627 -4.7302 -4.7302 -4.0565 -4.0565 -3.9389 -3.9389 3.0383 3.0383 3.3832 3.3832 4.1225 4.1225 4.2032 4.2032 4.6913 4.6913 4.7831 4.7831 5.2918 5.2918 5.3166 5.3166 5.6569 5.6569 5.7864 5.7864 6.0825 6.0825 6.1320 6.1320 6.4289 6.4289 6.8983 6.8983 7.2031 7.2031 7.2530 7.2530 8.1820 8.1820 8.3945 8.3945 9.0951 9.0951 9.1975 9.1975 9.9836 9.9836 9.9901 9.9901 k = 0.0714 0.3484 0.1552 ( 6786 PWs) bands (ev): -41.3117 -41.3117 -41.3117 -41.3117 -20.5574 -20.5574 -20.5545 -20.5545 -18.8503 -18.8503 -18.8454 -18.8454 -18.7545 -18.7545 -18.7534 -18.7534 -6.6969 -6.6969 -6.5607 -6.5607 -4.7576 -4.7576 -4.7252 -4.7252 -4.0545 -4.0545 -3.9375 -3.9375 3.0542 3.0542 3.3965 3.3965 4.1246 4.1246 4.2005 4.2005 4.6692 4.6692 4.7536 4.7536 5.2418 5.2418 5.2679 5.2679 5.6599 5.6599 5.7888 5.7888 6.0646 6.0646 6.1362 6.1362 6.4450 6.4450 6.8967 6.8967 7.1673 7.1673 7.2217 7.2217 8.1854 8.1854 8.3974 8.3974 9.1363 9.1363 9.2430 9.2430 10.0050 10.0050 10.0127 10.0127 k = 0.0833 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3116 -41.3116 -41.3116 -41.3116 -20.5581 -20.5581 -20.5548 -20.5548 -18.8512 -18.8512 -18.8456 -18.8456 -18.7553 -18.7553 -18.7541 -18.7541 -6.6908 -6.6908 -6.5554 -6.5554 -4.7516 -4.7516 -4.7192 -4.7192 -4.0522 -4.0522 -3.9360 -3.9360 3.0727 3.0727 3.4118 3.4118 4.1266 4.1266 4.1962 4.1962 4.6444 4.6444 4.7221 4.7221 5.1870 5.1870 5.2141 5.2141 5.6599 5.6599 5.7889 5.7889 6.0456 6.0456 6.1410 6.1410 6.4579 6.4579 6.8929 6.8929 7.1309 7.1309 7.1901 7.1901 8.1888 8.1888 8.3996 8.3996 9.1821 9.1821 9.2927 9.2927 10.0289 10.0289 10.0381 10.0381 k = 0.0952 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3114 -41.3114 -41.3114 -41.3114 -20.5589 -20.5589 -20.5552 -20.5552 -18.8523 -18.8523 -18.8460 -18.8460 -18.7562 -18.7562 -18.7549 -18.7549 -6.6839 -6.6839 -6.5494 -6.5494 -4.7447 -4.7447 -4.7124 -4.7124 -4.0496 -4.0496 -3.9342 -3.9342 3.0940 3.0940 3.4290 3.4290 4.1282 4.1282 4.1897 4.1897 4.6174 4.6174 4.6895 4.6895 5.1291 5.1291 5.1567 5.1567 5.6555 5.6555 5.7854 5.7854 6.0256 6.0256 6.1458 6.1458 6.4675 6.4675 6.8864 6.8864 7.0959 7.0959 7.1593 7.1593 8.1920 8.1920 8.4011 8.4011 9.2314 9.2314 9.3454 9.3454 10.0542 10.0542 10.0661 10.0661 k = 0.1071 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3113 -41.3113 -41.3113 -41.3113 -20.5597 -20.5597 -20.5556 -20.5556 -18.8535 -18.8535 -18.8464 -18.8464 -18.7571 -18.7571 -18.7557 -18.7557 -6.6762 -6.6762 -6.5427 -6.5427 -4.7369 -4.7369 -4.7047 -4.7047 -4.0467 -4.0467 -3.9323 -3.9323 3.1178 3.1178 3.4478 3.4478 4.1290 4.1290 4.1805 4.1805 4.5885 4.5885 4.6566 4.6566 5.0695 5.0695 5.0974 5.0974 5.6454 5.6454 5.7769 5.7769 6.0051 6.0051 6.1503 6.1503 6.4740 6.4740 6.8768 6.8768 7.0637 7.0637 7.1299 7.1299 8.1949 8.1949 8.4016 8.4016 9.2834 9.2834 9.3999 9.3999 10.0798 10.0798 10.0968 10.0968 k = 0.1190 0.3484 0.1552 ( 6808 PWs) bands (ev): -41.3111 -41.3111 -41.3111 -41.3111 -20.5606 -20.5606 -20.5561 -20.5561 -18.8548 -18.8548 -18.8470 -18.8470 -18.7581 -18.7581 -18.7565 -18.7565 -6.6678 -6.6678 -6.5354 -6.5354 -4.7282 -4.7282 -4.6961 -4.6961 -4.0435 -4.0435 -3.9302 -3.9302 3.1441 3.1441 3.4678 3.4678 4.1284 4.1284 4.1678 4.1678 4.5579 4.5579 4.6240 4.6240 5.0101 5.0101 5.0382 5.0382 5.6289 5.6289 5.7615 5.7615 5.9853 5.9853 6.1545 6.1545 6.4781 6.4781 6.8641 6.8641 7.0351 7.0351 7.1021 7.1021 8.1974 8.1974 8.4012 8.4012 9.3374 9.3374 9.4554 9.4554 10.1047 10.1047 10.1297 10.1297 k = 0.1310 0.3484 0.1552 ( 6818 PWs) bands (ev): -41.3110 -41.3110 -41.3109 -41.3109 -20.5616 -20.5616 -20.5567 -20.5567 -18.8562 -18.8562 -18.8477 -18.8477 -18.7590 -18.7590 -18.7574 -18.7574 -6.6586 -6.6586 -6.5276 -6.5276 -4.7187 -4.7187 -4.6867 -4.6867 -4.0400 -4.0400 -3.9280 -3.9280 3.1728 3.1728 3.4886 3.4886 4.1251 4.1251 4.1519 4.1519 4.5260 4.5260 4.5917 4.5917 4.9526 4.9526 4.9809 4.9809 5.6052 5.6052 5.7373 5.7373 5.9679 5.9679 6.1581 6.1581 6.4803 6.4803 6.8488 6.8488 7.0100 7.0100 7.0755 7.0755 8.1994 8.1994 8.3999 8.3999 9.3926 9.3926 9.5111 9.5111 10.1284 10.1284 10.1643 10.1643 k = 0.1429 0.3484 0.1552 ( 6814 PWs) bands (ev): -41.3107 -41.3107 -41.3107 -41.3107 -20.5625 -20.5625 -20.5574 -20.5574 -18.8577 -18.8577 -18.8486 -18.8486 -18.7600 -18.7600 -18.7582 -18.7582 -6.6488 -6.6488 -6.5192 -6.5192 -4.7083 -4.7083 -4.6764 -4.6764 -4.0363 -4.0363 -3.9257 -3.9257 3.2036 3.2036 3.5095 3.5095 4.1149 4.1149 4.1361 4.1361 4.4928 4.4928 4.5596 4.5596 4.8989 4.8989 4.9275 4.9275 5.5741 5.5741 5.7030 5.7030 5.9542 5.9542 6.1611 6.1611 6.4813 6.4813 6.8316 6.8316 6.9879 6.9879 7.0495 7.0495 8.2009 8.2009 8.3979 8.3979 9.4485 9.4485 9.5664 9.5664 10.1502 10.1502 10.1998 10.1998 k = 0.1548 0.3484 0.1552 ( 6824 PWs) bands (ev): -41.3106 -41.3106 -41.3105 -41.3105 -20.5636 -20.5636 -20.5581 -20.5581 -18.8594 -18.8594 -18.8497 -18.8497 -18.7610 -18.7610 -18.7590 -18.7590 -6.6384 -6.6384 -6.5105 -6.5105 -4.6970 -4.6970 -4.6654 -4.6654 -4.0323 -4.0323 -3.9233 -3.9233 3.2364 3.2364 3.5297 3.5297 4.0913 4.0913 4.1259 4.1259 4.4588 4.4588 4.5269 4.5269 4.8507 4.8507 4.8803 4.8803 5.5357 5.5357 5.6589 5.6589 5.9446 5.9446 6.1634 6.1634 6.4815 6.4815 6.8132 6.8132 6.9676 6.9676 7.0233 7.0233 8.2021 8.2021 8.3955 8.3955 9.5044 9.5044 9.6208 9.6208 10.1699 10.1699 10.2351 10.2351 k = 0.1667 0.3484 0.1552 ( 6818 PWs) bands (ev): -41.3103 -41.3103 -41.3103 -41.3103 -20.5647 -20.5647 -20.5589 -20.5589 -18.8612 -18.8612 -18.8509 -18.8509 -18.7619 -18.7619 -18.7597 -18.7597 -6.6275 -6.6275 -6.5013 -6.5013 -4.6850 -4.6850 -4.6535 -4.6535 -4.0282 -4.0282 -3.9208 -3.9208 3.2710 3.2710 3.5480 3.5480 4.0583 4.0583 4.1175 4.1175 4.4243 4.4243 4.4930 4.4930 4.8091 4.8091 4.8413 4.8413 5.4908 5.4908 5.6063 5.6063 5.9383 5.9383 6.1648 6.1648 6.4812 6.4812 6.7940 6.7940 6.9482 6.9482 6.9964 6.9964 8.2029 8.2029 8.3928 8.3928 9.5600 9.5600 9.6742 9.6742 10.1873 10.1873 10.2684 10.2684 k = 0.1786 0.3484 0.1552 ( 6808 PWs) bands (ev): -41.3101 -41.3101 -41.3101 -41.3101 -20.5658 -20.5658 -20.5598 -20.5598 -18.8631 -18.8631 -18.8523 -18.8523 -18.7628 -18.7628 -18.7604 -18.7604 -6.6161 -6.6161 -6.4919 -6.4919 -4.6722 -4.6722 -4.6410 -4.6410 -4.0239 -4.0239 -3.9184 -3.9184 3.3071 3.3071 3.5629 3.5629 4.0186 4.0186 4.1084 4.1084 4.3899 4.3899 4.4577 4.4577 4.7746 4.7746 4.8118 4.8118 5.4401 5.4401 5.5471 5.5471 5.9344 5.9344 6.1654 6.1654 6.4804 6.4804 6.7739 6.7739 6.9290 6.9290 6.9681 6.9681 8.2036 8.2036 8.3902 8.3902 9.6147 9.6147 9.7262 9.7262 10.2026 10.2026 10.2968 10.2968 k = 0.1905 0.3484 0.1552 ( 6802 PWs) bands (ev): -41.3098 -41.3098 -41.3098 -41.3098 -20.5669 -20.5669 -20.5608 -20.5608 -18.8651 -18.8651 -18.8539 -18.8539 -18.7636 -18.7636 -18.7611 -18.7611 -6.6043 -6.6043 -6.4822 -6.4822 -4.6586 -4.6586 -4.6277 -4.6277 -4.0195 -4.0195 -3.9159 -3.9159 3.3441 3.3441 3.5725 3.5725 3.9733 3.9733 4.0994 4.0994 4.3567 4.3567 4.4217 4.4217 4.7474 4.7474 4.7919 4.7919 5.3846 5.3846 5.4832 5.4832 5.9318 5.9318 6.1650 6.1650 6.4791 6.4791 6.7525 6.7525 6.9096 6.9096 6.9382 6.9382 8.2045 8.2045 8.3879 8.3879 9.6682 9.6682 9.7766 9.7766 10.2160 10.2160 10.3159 10.3159 k = 0.2024 0.3484 0.1552 ( 6800 PWs) bands (ev): -41.3096 -41.3096 -41.3096 -41.3096 -20.5681 -20.5681 -20.5617 -20.5617 -18.8673 -18.8673 -18.8556 -18.8556 -18.7643 -18.7643 -18.7617 -18.7617 -6.5921 -6.5921 -6.4724 -6.4724 -4.6442 -4.6442 -4.6137 -4.6137 -4.0149 -4.0149 -3.9136 -3.9136 3.3813 3.3813 3.5744 3.5744 3.9236 3.9236 4.0918 4.0918 4.3257 4.3257 4.3859 4.3859 4.7272 4.7272 4.7806 4.7806 5.3254 5.3254 5.4161 5.4161 5.9299 5.9299 6.1636 6.1636 6.4773 6.4773 6.7295 6.7295 6.8888 6.8888 6.9073 6.9073 8.2057 8.2057 8.3862 8.3862 9.7200 9.7200 9.8253 9.8253 10.2282 10.2282 10.3235 10.3235 k = 0.2143 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3093 -41.3093 -41.3093 -41.3093 -20.5692 -20.5692 -20.5628 -20.5628 -18.8695 -18.8695 -18.8575 -18.8575 -18.7649 -18.7649 -18.7621 -18.7621 -6.5797 -6.5797 -6.4625 -6.4625 -4.6292 -4.6292 -4.5991 -4.5991 -4.0103 -4.0103 -3.9113 -3.9113 3.4177 3.4177 3.5668 3.5668 3.8711 3.8711 4.0875 4.0875 4.2981 4.2981 4.3518 4.3518 4.7133 4.7133 4.7762 4.7762 5.2637 5.2637 5.3473 5.3473 5.9280 5.9280 6.1609 6.1609 6.4747 6.4747 6.7046 6.7046 6.8626 6.8626 6.8791 6.8791 8.2074 8.2074 8.3852 8.3852 9.7698 9.7698 9.8721 9.8721 10.2394 10.2394 10.3222 10.3222 k = 0.2262 0.3484 0.1552 ( 6800 PWs) bands (ev): -41.3091 -41.3091 -41.3090 -41.3090 -20.5704 -20.5704 -20.5639 -20.5639 -18.8718 -18.8718 -18.8596 -18.8596 -18.7654 -18.7654 -18.7626 -18.7626 -6.5670 -6.5670 -6.4526 -6.4526 -4.6135 -4.6135 -4.5840 -4.5840 -4.0057 -4.0057 -3.9092 -3.9092 3.4508 3.4508 3.5488 3.5488 3.8182 3.8182 4.0877 4.0877 4.2749 4.2749 4.3203 4.3203 4.7049 4.7049 4.7770 4.7770 5.2005 5.2005 5.2779 5.2779 5.9255 5.9255 6.1569 6.1569 6.4713 6.4713 6.6775 6.6775 6.8282 6.8282 6.8565 6.8565 8.2098 8.2098 8.3850 8.3850 9.8171 9.8171 9.9166 9.9166 10.2504 10.2504 10.3172 10.3172 k = 0.2381 0.3484 0.1552 ( 6806 PWs) bands (ev): -41.3088 -41.3088 -41.3088 -41.3088 -20.5716 -20.5716 -20.5650 -20.5650 -18.8742 -18.8742 -18.8618 -18.8618 -18.7658 -18.7658 -18.7629 -18.7629 -6.5542 -6.5542 -6.4428 -6.4428 -4.5973 -4.5973 -4.5683 -4.5683 -4.0011 -4.0011 -3.9072 -3.9072 3.4748 3.4748 3.5222 3.5222 3.7697 3.7697 4.0920 4.0920 4.2577 4.2577 4.2924 4.2924 4.7006 4.7006 4.7816 4.7816 5.1371 5.1371 5.2091 5.2091 5.9222 5.9222 6.1514 6.1514 6.4670 6.4670 6.6484 6.6484 6.7897 6.7897 6.8357 6.8357 8.2132 8.2132 8.3858 8.3858 9.8617 9.8617 9.9586 9.9586 10.2612 10.2612 10.3121 10.3121 k = 0.2500 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3085 -41.3085 -41.3085 -41.3085 -20.5728 -20.5728 -20.5661 -20.5661 -18.8766 -18.8766 -18.8642 -18.8642 -18.7661 -18.7661 -18.7631 -18.7631 -6.5413 -6.5413 -6.4331 -6.4331 -4.5805 -4.5805 -4.5521 -4.5521 -3.9965 -3.9965 -3.9054 -3.9054 3.4682 3.4682 3.5018 3.5018 3.7342 3.7342 4.0976 4.0976 4.2481 4.2481 4.2692 4.2692 4.6989 4.6989 4.7884 4.7884 5.0747 5.0747 5.1422 5.1422 5.9178 5.9178 6.1443 6.1443 6.4615 6.4615 6.6176 6.6176 6.7490 6.7490 6.8147 6.8147 8.2175 8.2175 8.3874 8.3874 9.9031 9.9031 9.9976 9.9976 10.2719 10.2719 10.3099 10.3099 k = 0.2619 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3082 -41.3082 -41.3082 -41.3082 -20.5739 -20.5739 -20.5673 -20.5673 -18.8790 -18.8790 -18.8666 -18.8666 -18.7662 -18.7662 -18.7633 -18.7633 -6.5284 -6.5284 -6.4235 -6.4235 -4.5632 -4.5632 -4.5355 -4.5355 -3.9920 -3.9920 -3.9039 -3.9039 3.4269 3.4269 3.4837 3.4837 3.7219 3.7219 4.1009 4.1009 4.2413 4.2413 4.2584 4.2584 4.6981 4.6981 4.7960 4.7960 5.0148 5.0148 5.0787 5.0787 5.9119 5.9119 6.1355 6.1355 6.4546 6.4546 6.5855 6.5855 6.7071 6.7071 6.7934 6.7934 8.2228 8.2228 8.3899 8.3899 9.9410 9.9410 10.0330 10.0330 10.2814 10.2814 10.3135 10.3135 k = 0.2738 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3080 -41.3080 -41.3080 -41.3080 -20.5751 -20.5751 -20.5685 -20.5685 -18.8815 -18.8815 -18.8692 -18.8692 -18.7663 -18.7663 -18.7634 -18.7634 -6.5155 -6.5155 -6.4143 -6.4143 -4.5455 -4.5455 -4.5186 -4.5186 -3.9877 -3.9877 -3.9027 -3.9027 3.3761 3.3761 3.4450 3.4450 3.7330 3.7330 4.0997 4.0997 4.2282 4.2282 4.2703 4.2703 4.6956 4.6956 4.8016 4.8016 4.9601 4.9601 5.0210 5.0210 5.9044 5.9044 6.1249 6.1249 6.4460 6.4460 6.5530 6.5530 6.6646 6.6646 6.7713 6.7713 8.2292 8.2292 8.3931 8.3931 9.9753 9.9753 10.0643 10.0643 10.2898 10.2898 10.3242 10.3242 k = 0.2857 0.3484 0.1552 ( 6794 PWs) bands (ev): -41.3077 -41.3077 -41.3077 -41.3077 -20.5762 -20.5762 -20.5697 -20.5697 -18.8839 -18.8839 -18.8718 -18.8718 -18.7663 -18.7663 -18.7635 -18.7635 -6.5027 -6.5027 -6.4053 -6.4053 -4.5274 -4.5274 -4.5014 -4.5014 -3.9835 -3.9835 -3.9018 -3.9018 3.3211 3.3211 3.3923 3.3923 3.7572 3.7572 4.0945 4.0945 4.2176 4.2176 4.2945 4.2945 4.6882 4.6882 4.8002 4.8002 4.9156 4.9156 4.9724 4.9724 5.8951 5.8951 6.1122 6.1122 6.4349 6.4349 6.5207 6.5207 6.6225 6.6225 6.7486 6.7486 8.2366 8.2366 8.3967 8.3967 10.0061 10.0061 10.0909 10.0909 10.2994 10.2994 10.3406 10.3406 k = 0.2976 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3075 -41.3075 -41.3074 -41.3074 -20.5773 -20.5773 -20.5710 -20.5710 -18.8864 -18.8864 -18.8745 -18.8745 -18.7663 -18.7663 -18.7635 -18.7635 -6.4901 -6.4901 -6.3968 -6.3968 -4.5091 -4.5091 -4.4841 -4.4841 -3.9795 -3.9795 -3.9012 -3.9012 3.2641 3.2641 3.3334 3.3334 3.7861 3.7861 4.0872 4.0872 4.2116 4.2116 4.3258 4.3258 4.6722 4.6722 4.7830 4.7830 4.8892 4.8892 4.9376 4.9376 5.8841 5.8841 6.0975 6.0975 6.4206 6.4206 6.4899 6.4899 6.5820 6.5820 6.7252 6.7252 8.2447 8.2447 8.4007 8.4007 10.0335 10.0335 10.1129 10.1129 10.3123 10.3123 10.3607 10.3607 k = 0.3095 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3072 -41.3072 -41.3072 -41.3072 -20.5784 -20.5784 -20.5722 -20.5722 -18.8887 -18.8887 -18.8772 -18.8772 -18.7661 -18.7661 -18.7634 -18.7634 -6.4777 -6.4777 -6.3886 -6.3886 -4.4906 -4.4906 -4.4667 -4.4667 -3.9757 -3.9757 -3.9010 -3.9010 3.2066 3.2066 3.2722 3.2722 3.8150 3.8150 4.0792 4.0792 4.2110 4.2110 4.3611 4.3611 4.6458 4.6458 4.7496 4.7496 4.8801 4.8801 4.9203 4.9203 5.8712 5.8712 6.0806 6.0806 6.4018 6.4018 6.4609 6.4609 6.5445 6.5445 6.7012 6.7012 8.2536 8.2536 8.4048 8.4048 10.0581 10.0581 10.1309 10.1309 10.3288 10.3288 10.3832 10.3832 k = 0.3214 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3070 -41.3070 -41.3069 -41.3069 -20.5794 -20.5794 -20.5734 -20.5734 -18.8910 -18.8910 -18.8798 -18.8798 -18.7659 -18.7659 -18.7634 -18.7634 -6.4656 -6.4656 -6.3810 -6.3810 -4.4721 -4.4721 -4.4493 -4.4493 -3.9722 -3.9722 -3.9013 -3.9013 3.1494 3.1494 3.2109 3.2109 3.8412 3.8412 4.0715 4.0715 4.2160 4.2160 4.3976 4.3976 4.6111 4.6111 4.7103 4.7103 4.8798 4.8798 4.9177 4.9177 5.8565 5.8565 6.0616 6.0616 6.3788 6.3788 6.4329 6.4329 6.5122 6.5122 6.6767 6.6767 8.2630 8.2630 8.4089 8.4089 10.0804 10.0804 10.1461 10.1461 10.3481 10.3481 10.4072 10.4072 k = 0.3333 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3067 -41.3067 -41.3067 -41.3067 -20.5804 -20.5804 -20.5746 -20.5746 -18.8932 -18.8932 -18.8825 -18.8825 -18.7657 -18.7657 -18.7632 -18.7632 -6.4538 -6.4538 -6.3738 -6.3738 -4.4536 -4.4536 -4.4320 -4.4320 -3.9689 -3.9689 -3.9019 -3.9019 3.0936 3.0936 3.1508 3.1508 3.8635 3.8635 4.0641 4.0641 4.2259 4.2259 4.4318 4.4318 4.5738 4.5738 4.6726 4.6726 4.8848 4.8848 4.9231 4.9231 5.8402 5.8402 6.0404 6.0404 6.3528 6.3528 6.4038 6.4038 6.4866 6.4866 6.6519 6.6519 8.2729 8.2729 8.4127 8.4127 10.1010 10.1010 10.1597 10.1597 10.3690 10.3690 10.4320 10.4320 k = 0.3452 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3065 -41.3065 -41.3065 -41.3065 -20.5813 -20.5813 -20.5758 -20.5758 -18.8953 -18.8953 -18.8851 -18.8851 -18.7654 -18.7654 -18.7631 -18.7631 -6.4424 -6.4424 -6.3673 -6.3673 -4.4353 -4.4353 -4.4150 -4.4150 -3.9660 -3.9660 -3.9030 -3.9030 3.0397 3.0397 3.0927 3.0927 3.8815 3.8815 4.0573 4.0573 4.2392 4.2392 4.4555 4.4555 4.5434 4.5434 4.6419 4.6419 4.8938 4.8938 4.9316 4.9316 5.8224 5.8224 6.0172 6.0172 6.3259 6.3259 6.3731 6.3731 6.4673 6.4673 6.6269 6.6269 8.2829 8.2829 8.4162 8.4162 10.1205 10.1205 10.1730 10.1730 10.3905 10.3905 10.4567 10.4567 k = 0.3571 0.3484 0.1552 ( 6792 PWs) bands (ev): -41.3063 -41.3063 -41.3063 -41.3063 -20.5821 -20.5821 -20.5769 -20.5769 -18.8973 -18.8973 -18.8876 -18.8876 -18.7651 -18.7651 -18.7629 -18.7629 -6.4315 -6.4315 -6.3613 -6.3613 -4.4173 -4.4173 -4.3983 -4.3983 -3.9634 -3.9634 -3.9045 -3.9045 2.9882 2.9882 3.0372 3.0372 3.8954 3.8954 4.0509 4.0509 4.2531 4.2531 4.4498 4.4498 4.5370 4.5370 4.6241 4.6241 4.9057 4.9057 4.9410 4.9410 5.8035 5.8035 5.9922 5.9922 6.2993 6.2993 6.3420 6.3420 6.4524 6.4524 6.6019 6.6019 8.2931 8.2931 8.4191 8.4191 10.1394 10.1394 10.1866 10.1866 10.4117 10.4117 10.4807 10.4807 k = 0.3690 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3061 -41.3061 -41.3061 -41.3061 -20.5829 -20.5829 -20.5780 -20.5780 -18.8991 -18.8991 -18.8901 -18.8901 -18.7648 -18.7648 -18.7628 -18.7628 -6.4209 -6.4209 -6.3560 -6.3560 -4.3997 -4.3997 -4.3821 -4.3821 -3.9611 -3.9611 -3.9065 -3.9065 2.9398 2.9398 2.9846 2.9846 3.9062 3.9062 4.0447 4.0447 4.2640 4.2640 4.4203 4.4203 4.5459 4.5459 4.6257 4.6257 4.9196 4.9196 4.9503 4.9503 5.7836 5.7836 5.9656 5.9656 6.2737 6.2737 6.3120 6.3120 6.4403 6.4403 6.5773 6.5773 8.3032 8.3032 8.4213 8.4213 10.1581 10.1581 10.2010 10.2010 10.4320 10.4320 10.5034 10.5034 k = 0.3810 0.3484 0.1552 ( 6794 PWs) bands (ev): -41.3059 -41.3059 -41.3059 -41.3059 -20.5836 -20.5836 -20.5791 -20.5791 -18.9008 -18.9008 -18.8924 -18.8924 -18.7644 -18.7644 -18.7626 -18.7626 -6.4109 -6.4109 -6.3513 -6.3513 -4.3827 -4.3827 -4.3666 -4.3666 -3.9590 -3.9590 -3.9089 -3.9089 2.8946 2.8946 2.9354 2.9354 3.9144 3.9144 4.0387 4.0387 4.2688 4.2688 4.3861 4.3861 4.5557 4.5557 4.6443 4.6443 4.9351 4.9351 4.9591 4.9591 5.7632 5.7632 5.9377 5.9377 6.2495 6.2495 6.2844 6.2844 6.4300 6.4300 6.5531 6.5531 8.3132 8.3132 8.4227 8.4227 10.1768 10.1768 10.2165 10.2165 10.4510 10.4510 10.5244 10.5244 k = 0.3929 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3057 -41.3057 -41.3057 -41.3057 -20.5842 -20.5842 -20.5801 -20.5801 -18.9023 -18.9023 -18.8947 -18.8947 -18.7641 -18.7641 -18.7624 -18.7624 -6.4014 -6.4014 -6.3474 -6.3474 -4.3665 -4.3665 -4.3519 -4.3519 -3.9572 -3.9572 -3.9116 -3.9116 2.8531 2.8531 2.8899 2.8899 3.9211 3.9211 4.0325 4.0325 4.2666 4.2666 4.3531 4.3531 4.5706 4.5706 4.6694 4.6694 4.9517 4.9517 4.9673 4.9673 5.7428 5.7428 5.9089 5.9089 6.2270 6.2270 6.2596 6.2596 6.4209 6.4209 6.5297 6.5297 8.3230 8.3230 8.4234 8.4234 10.1954 10.1954 10.2328 10.2328 10.4684 10.4684 10.5430 10.5430 k = 0.4048 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3056 -41.3056 -41.3056 -41.3056 -20.5848 -20.5848 -20.5811 -20.5811 -18.9036 -18.9036 -18.8967 -18.8967 -18.7638 -18.7638 -18.7623 -18.7623 -6.3925 -6.3925 -6.3441 -6.3441 -4.3512 -4.3512 -4.3382 -4.3382 -3.9557 -3.9557 -3.9147 -3.9147 2.8155 2.8155 2.8483 2.8483 3.9265 3.9265 4.0261 4.0261 4.2588 4.2588 4.3230 4.3230 4.5924 4.5924 4.6944 4.6944 4.9685 4.9685 4.9756 4.9756 5.7228 5.7228 5.8795 5.8795 6.2066 6.2066 6.2378 6.2378 6.4129 6.4129 6.5073 6.5073 8.3325 8.3325 8.4232 8.4232 10.2142 10.2142 10.2498 10.2498 10.4841 10.4841 10.5590 10.5590 k = 0.4167 0.3484 0.1552 ( 6790 PWs) bands (ev): -41.3054 -41.3054 -41.3054 -41.3054 -20.5853 -20.5853 -20.5819 -20.5819 -18.9048 -18.9048 -18.8987 -18.8987 -18.7634 -18.7634 -18.7621 -18.7621 -6.3842 -6.3842 -6.3416 -6.3416 -4.3370 -4.3370 -4.3256 -4.3256 -3.9543 -3.9543 -3.9180 -3.9180 2.7821 2.7821 2.8108 2.8108 3.9313 3.9313 4.0191 4.0191 4.2478 4.2478 4.2964 4.2964 4.6192 4.6192 4.7167 4.7167 4.9804 4.9804 4.9889 4.9889 5.7039 5.7039 5.8499 5.8499 6.1886 6.1886 6.2189 6.2189 6.4059 6.4059 6.4862 6.4862 8.3417 8.3417 8.4222 8.4222 10.2328 10.2328 10.2670 10.2670 10.4982 10.4982 10.5720 10.5720 k = 0.4286 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3053 -41.3053 -41.3053 -41.3053 -20.5856 -20.5856 -20.5828 -20.5828 -18.9057 -18.9057 -18.9004 -18.9004 -18.7631 -18.7631 -18.7620 -18.7620 -6.3766 -6.3766 -6.3398 -6.3398 -4.3240 -4.3240 -4.3143 -4.3143 -3.9529 -3.9529 -3.9216 -3.9216 2.7530 2.7530 2.7777 2.7777 3.9357 3.9357 4.0117 4.0117 4.2362 4.2362 4.2737 4.2737 4.6481 4.6481 4.7352 4.7352 4.9884 4.9884 5.0059 5.0059 5.6870 5.6870 5.8203 5.8203 6.1735 6.1735 6.2026 6.2026 6.3999 6.3999 6.4667 6.4667 8.3505 8.3505 8.4204 8.4204 10.2511 10.2511 10.2838 10.2838 10.5107 10.5107 10.5816 10.5816 k = 0.4405 0.3484 0.1552 ( 6802 PWs) bands (ev): -41.3052 -41.3052 -41.3052 -41.3052 -20.5859 -20.5859 -20.5835 -20.5835 -18.9064 -18.9064 -18.9020 -18.9020 -18.7629 -18.7629 -18.7619 -18.7619 -6.3695 -6.3695 -6.3388 -6.3388 -4.3126 -4.3126 -4.3045 -4.3045 -3.9516 -3.9516 -3.9252 -3.9252 2.7284 2.7284 2.7491 2.7491 3.9399 3.9399 4.0038 4.0038 4.2256 4.2256 4.2547 4.2547 4.6766 4.6766 4.7497 4.7497 4.9964 4.9964 5.0218 5.0218 5.6730 5.6730 5.7913 5.7913 6.1616 6.1616 6.1885 6.1885 6.3950 6.3950 6.4491 6.4491 8.3589 8.3589 8.4178 8.4178 10.2687 10.2687 10.2993 10.2993 10.5221 10.5221 10.5877 10.5877 k = 0.4524 0.3484 0.1552 ( 6800 PWs) bands (ev): -41.3051 -41.3051 -41.3051 -41.3051 -20.5861 -20.5861 -20.5841 -20.5841 -18.9070 -18.9070 -18.9034 -18.9034 -18.7626 -18.7626 -18.7619 -18.7619 -6.3632 -6.3632 -6.3385 -6.3385 -4.3027 -4.3027 -4.2963 -4.2963 -3.9501 -3.9501 -3.9289 -3.9289 2.7085 2.7085 2.7251 2.7251 3.9441 3.9441 3.9957 3.9957 4.2169 4.2169 4.2392 4.2392 4.7029 4.7029 4.7602 4.7602 5.0052 5.0052 5.0349 5.0349 5.6628 5.6628 5.7632 5.7632 6.1528 6.1528 6.1765 6.1765 6.3915 6.3915 6.4335 6.4335 8.3669 8.3669 8.4144 8.4144 10.2853 10.2853 10.3126 10.3126 10.5326 10.5326 10.5903 10.5903 k = 0.4643 0.3484 0.1552 ( 6804 PWs) bands (ev): -41.3051 -41.3051 -41.3051 -41.3051 -20.5862 -20.5862 -20.5847 -20.5847 -18.9073 -18.9073 -18.9046 -18.9046 -18.7624 -18.7624 -18.7618 -18.7618 -6.3575 -6.3575 -6.3389 -6.3389 -4.2947 -4.2947 -4.2899 -4.2899 -3.9485 -3.9485 -3.9325 -3.9325 2.6934 2.6934 2.7059 2.7059 3.9485 3.9485 3.9874 3.9874 4.2106 4.2106 4.2269 4.2269 4.7254 4.7254 4.7669 4.7669 5.0149 5.0149 5.0441 5.0441 5.6574 5.6574 5.7368 5.7368 6.1472 6.1472 6.1664 6.1664 6.3895 6.3895 6.4202 6.4202 8.3744 8.3744 8.4104 8.4104 10.3002 10.3002 10.3228 10.3228 10.5426 10.5426 10.5895 10.5895 k = 0.4762 0.3484 0.1552 ( 6810 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5862 -20.5862 -20.5852 -20.5852 -18.9074 -18.9074 -18.9056 -18.9056 -18.7622 -18.7622 -18.7618 -18.7618 -6.3526 -6.3526 -6.3402 -6.3402 -4.2887 -4.2887 -4.2854 -4.2854 -3.9467 -3.9467 -3.9360 -3.9360 2.6832 2.6832 2.6915 2.6915 3.9534 3.9534 3.9794 3.9794 4.2069 4.2069 4.2177 4.2177 4.7433 4.7433 4.7700 4.7700 5.0252 5.0252 5.0485 5.0485 5.6576 5.6576 5.7128 5.7128 6.1445 6.1445 6.1580 6.1580 6.3892 6.3892 6.4093 6.4093 8.3816 8.3816 8.4057 8.4057 10.3129 10.3129 10.3292 10.3292 10.5525 10.5525 10.5856 10.5856 k = 0.4881 0.3484 0.1552 ( 6798 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5861 -20.5861 -20.5856 -20.5856 -18.9073 -18.9073 -18.9064 -18.9064 -18.7621 -18.7621 -18.7619 -18.7619 -6.3484 -6.3484 -6.3422 -6.3422 -4.2846 -4.2846 -4.2830 -4.2830 -3.9445 -3.9445 -3.9391 -3.9391 2.6778 2.6778 2.6820 2.6820 3.9589 3.9589 3.9719 3.9719 4.2058 4.2058 4.2112 4.2112 4.7565 4.7565 4.7695 4.7695 5.0350 5.0350 5.0480 5.0480 5.6636 5.6636 5.6919 5.6919 6.1445 6.1445 6.1515 6.1515 6.3909 6.3909 6.4008 6.4008 8.3884 8.3884 8.4004 8.4004 10.3227 10.3227 10.3312 10.3312 10.5621 10.5621 10.5794 10.5794 k = 0.5000 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3449 -6.3449 -6.3449 -6.3449 -4.2828 -4.2828 -4.2828 -4.2828 -3.9420 -3.9420 -3.9420 -3.9420 2.6774 2.6774 2.6774 2.6774 3.9650 3.9650 3.9650 3.9650 4.2072 4.2072 4.2072 4.2072 4.7651 4.7651 4.7651 4.7651 5.0431 5.0431 5.0431 5.0431 5.6752 5.6752 5.6752 5.6752 6.1470 6.1470 6.1470 6.1470 6.3947 6.3947 6.3947 6.3947 8.3946 8.3946 8.3946 8.3946 10.3290 10.3290 10.3290 10.3290 10.5713 10.5713 10.5713 10.5713 k = 0.5000 0.3484 0.1552 ( 6796 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3449 -6.3449 -6.3449 -6.3449 -4.2828 -4.2828 -4.2828 -4.2828 -3.9420 -3.9420 -3.9420 -3.9420 2.6774 2.6774 2.6774 2.6774 3.9650 3.9650 3.9650 3.9650 4.2072 4.2072 4.2072 4.2072 4.7651 4.7651 4.7651 4.7651 5.0431 5.0431 5.0431 5.0431 5.6752 5.6752 5.6752 5.6752 6.1470 6.1470 6.1470 6.1470 6.3947 6.3947 6.3947 6.3947 8.3946 8.3946 8.3946 8.3946 10.3290 10.3290 10.3290 10.3290 10.5713 10.5713 10.5713 10.5713 k = 0.5000 0.3525 0.1460 ( 6796 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3450 -6.3450 -6.3450 -6.3450 -4.2829 -4.2829 -4.2827 -4.2827 -3.9417 -3.9417 -3.9417 -3.9417 2.6777 2.6777 2.6781 2.6781 3.9643 3.9643 3.9648 3.9648 4.2065 4.2065 4.2068 4.2068 4.7619 4.7619 4.7657 4.7657 5.0416 5.0416 5.0442 5.0442 5.6719 5.6719 5.6815 5.6815 6.1428 6.1428 6.1508 6.1508 6.3921 6.3921 6.3977 6.3977 8.3952 8.3952 8.3971 8.3971 10.3255 10.3255 10.3300 10.3300 10.5710 10.5710 10.5716 10.5716 k = 0.5000 0.3566 0.1368 ( 6798 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3454 -6.3454 -6.3453 -6.3453 -4.2831 -4.2831 -4.2828 -4.2828 -3.9409 -3.9409 -3.9408 -3.9408 2.6788 2.6788 2.6796 2.6796 3.9625 3.9625 3.9635 3.9635 4.2046 4.2046 4.2052 4.2052 4.7563 4.7563 4.7638 4.7638 5.0396 5.0396 5.0446 5.0446 5.6713 5.6713 5.6905 5.6905 6.1383 6.1383 6.1545 6.1545 6.3900 6.3900 6.4012 6.4012 8.3987 8.3987 8.4025 8.4025 10.3195 10.3195 10.3286 10.3286 10.5707 10.5707 10.5719 10.5719 k = 0.5000 0.3607 0.1276 ( 6802 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3460 -6.3460 -6.3459 -6.3459 -4.2834 -4.2834 -4.2829 -4.2829 -3.9395 -3.9395 -3.9393 -3.9393 2.6809 2.6809 2.6821 2.6821 3.9595 3.9595 3.9611 3.9611 4.2016 4.2016 4.2026 4.2026 4.7485 4.7485 4.7591 4.7591 5.0375 5.0375 5.0444 5.0444 5.6731 5.6731 5.7021 5.7021 6.1334 6.1334 6.1580 6.1580 6.3885 6.3885 6.4052 6.4052 8.4052 8.4052 8.4109 8.4109 10.3113 10.3113 10.3247 10.3247 10.5705 10.5705 10.5723 10.5723 k = 0.5000 0.3648 0.1184 ( 6804 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3468 -6.3468 -6.3467 -6.3467 -4.2838 -4.2838 -4.2832 -4.2832 -3.9375 -3.9375 -3.9372 -3.9372 2.6838 2.6838 2.6855 2.6855 3.9552 3.9552 3.9574 3.9574 4.1977 4.1977 4.1994 4.1994 4.7388 4.7388 4.7520 4.7520 5.0354 5.0354 5.0437 5.0437 5.6768 5.6768 5.7158 5.7158 6.1279 6.1279 6.1614 6.1614 6.3878 6.3878 6.4100 6.4100 8.4147 8.4147 8.4222 8.4222 10.3010 10.3010 10.3186 10.3186 10.5703 10.5703 10.5727 10.5727 k = 0.5000 0.3689 0.1092 ( 6804 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5858 -20.5858 -18.9070 -18.9070 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3479 -6.3479 -6.3478 -6.3478 -4.2843 -4.2843 -4.2835 -4.2835 -3.9349 -3.9349 -3.9346 -3.9346 2.6877 2.6877 2.6897 2.6897 3.9493 3.9493 3.9521 3.9521 4.1933 4.1933 4.1959 4.1959 4.7275 4.7275 4.7424 4.7424 5.0337 5.0337 5.0426 5.0426 5.6817 5.6817 5.7312 5.7312 6.1218 6.1218 6.1646 6.1646 6.3881 6.3881 6.4155 6.4155 8.4270 8.4270 8.4364 8.4364 10.2890 10.2890 10.3103 10.3103 10.5703 10.5703 10.5732 10.5732 k = 0.5000 0.3689 0.1092 ( 6804 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5858 -20.5858 -18.9070 -18.9070 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3479 -6.3479 -6.3478 -6.3478 -4.2843 -4.2843 -4.2835 -4.2835 -3.9349 -3.9349 -3.9346 -3.9346 2.6877 2.6877 2.6897 2.6897 3.9493 3.9493 3.9521 3.9521 4.1933 4.1933 4.1959 4.1959 4.7275 4.7275 4.7424 4.7424 5.0337 5.0337 5.0426 5.0426 5.6817 5.6817 5.7312 5.7312 6.1218 6.1218 6.1646 6.1646 6.3881 6.3881 6.4155 6.4155 8.4270 8.4270 8.4364 8.4364 10.2890 10.2890 10.3103 10.3103 10.5703 10.5703 10.5732 10.5732 k = 0.5000 0.3675 0.0981 ( 6806 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5858 -20.5858 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3475 -6.3475 -6.3474 -6.3474 -4.2841 -4.2841 -4.2834 -4.2834 -3.9360 -3.9360 -3.9356 -3.9356 2.6929 2.6929 2.6949 2.6949 3.9417 3.9417 3.9434 3.9434 4.1846 4.1846 4.1858 4.1858 4.7250 4.7250 4.7407 4.7407 5.0463 5.0463 5.0604 5.0604 5.6885 5.6885 5.7443 5.7443 6.1151 6.1151 6.1599 6.1599 6.3913 6.3913 6.4177 6.4177 8.4214 8.4214 8.4303 8.4303 10.2834 10.2834 10.3032 10.3032 10.5708 10.5708 10.5734 10.5734 k = 0.5000 0.3660 0.0870 ( 6802 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3471 -6.3471 -6.3470 -6.3470 -4.2839 -4.2839 -4.2833 -4.2833 -3.9369 -3.9369 -3.9366 -3.9366 2.6994 2.6994 2.7012 2.7012 3.9304 3.9304 3.9310 3.9310 4.1762 4.1762 4.1763 4.1763 4.7235 4.7235 4.7392 4.7392 5.0611 5.0611 5.0790 5.0790 5.6964 5.6964 5.7582 5.7582 6.1063 6.1063 6.1532 6.1532 6.3963 6.3963 6.4215 6.4215 8.4161 8.4161 8.4245 8.4245 10.2777 10.2777 10.2958 10.2958 10.5715 10.5715 10.5738 10.5738 k = 0.5000 0.3645 0.0760 ( 6806 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3468 -6.3468 -6.3466 -6.3466 -4.2838 -4.2838 -4.2832 -4.2832 -3.9378 -3.9378 -3.9375 -3.9375 2.7069 2.7069 2.7086 2.7086 3.9156 3.9156 3.9158 3.9158 4.1674 4.1674 4.1681 4.1681 4.7229 4.7229 4.7379 4.7379 5.0777 5.0777 5.0984 5.0984 5.7050 5.7050 5.7721 5.7721 6.0957 6.0957 6.1446 6.1446 6.4027 6.4027 6.4267 6.4267 8.4112 8.4112 8.4189 8.4189 10.2719 10.2719 10.2883 10.2883 10.5723 10.5723 10.5743 10.5743 k = 0.5000 0.3631 0.0649 ( 6808 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3464 -6.3464 -6.3463 -6.3463 -4.2836 -4.2836 -4.2831 -4.2831 -3.9386 -3.9386 -3.9383 -3.9383 2.7153 2.7153 2.7168 2.7168 3.8980 3.8980 3.8988 3.8988 4.1589 4.1589 4.1602 4.1602 4.7230 4.7230 4.7370 4.7370 5.0959 5.0959 5.1185 5.1185 5.7139 5.7139 5.7855 5.7855 6.0836 6.0836 6.1345 6.1345 6.4106 6.4106 6.4331 6.4331 8.4066 8.4066 8.4138 8.4138 10.2662 10.2662 10.2811 10.2811 10.5733 10.5733 10.5749 10.5749 k = 0.5000 0.3616 0.0538 ( 6800 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3461 -6.3461 -6.3460 -6.3460 -4.2835 -4.2835 -4.2830 -4.2830 -3.9394 -3.9394 -3.9391 -3.9391 2.7242 2.7242 2.7256 2.7256 3.8790 3.8790 3.8802 3.8802 4.1510 4.1510 4.1526 4.1526 4.7238 4.7238 4.7363 4.7363 5.1153 5.1153 5.1389 5.1389 5.7228 5.7228 5.7978 5.7978 6.0706 6.0706 6.1231 6.1231 6.4195 6.4195 6.4404 6.4404 8.4023 8.4023 8.4089 8.4089 10.2609 10.2609 10.2742 10.2742 10.5743 10.5743 10.5757 10.5757 k = 0.5000 0.3601 0.0427 ( 6810 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3459 -6.3459 -6.3458 -6.3458 -4.2834 -4.2834 -4.2830 -4.2830 -3.9400 -3.9400 -3.9398 -3.9398 2.7335 2.7335 2.7348 2.7348 3.8594 3.8594 3.8608 3.8608 4.1436 4.1436 4.1452 4.1452 4.7250 4.7250 4.7360 4.7360 5.1354 5.1354 5.1593 5.1593 5.7314 5.7314 5.8085 5.8085 6.0571 6.0571 6.1107 6.1107 6.4291 6.4291 6.4483 6.4483 8.3985 8.3985 8.4045 8.4045 10.2560 10.2560 10.2677 10.2677 10.5754 10.5754 10.5766 10.5766 k = 0.5000 0.3587 0.0316 ( 6816 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3456 -6.3456 -6.3456 -6.3456 -4.2833 -4.2833 -4.2829 -4.2829 -3.9406 -3.9406 -3.9404 -3.9404 2.7429 2.7429 2.7440 2.7440 3.8399 3.8399 3.8414 3.8414 4.1367 4.1367 4.1383 4.1383 4.7265 4.7265 4.7358 4.7358 5.1558 5.1558 5.1791 5.1791 5.7397 5.7397 5.8170 5.8170 6.0440 6.0440 6.0978 6.0978 6.4391 6.4391 6.4563 6.4563 8.3951 8.3951 8.4004 8.4004 10.2517 10.2517 10.2619 10.2619 10.5766 10.5766 10.5776 10.5776 k = 0.5000 0.3572 0.0205 ( 6808 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3454 -6.3454 -6.3454 -6.3454 -4.2832 -4.2832 -4.2829 -4.2829 -3.9411 -3.9411 -3.9409 -3.9409 2.7520 2.7520 2.7530 2.7530 3.8213 3.8213 3.8227 3.8227 4.1306 4.1306 4.1320 4.1320 4.7281 4.7281 4.7358 4.7358 5.1759 5.1759 5.1980 5.1980 5.7475 5.7475 5.8228 5.8228 6.0322 6.0322 6.0847 6.0847 6.4489 6.4489 6.4640 6.4640 8.3922 8.3922 8.3968 8.3968 10.2481 10.2481 10.2568 10.2568 10.5779 10.5779 10.5786 10.5786 k = 0.5000 0.3557 0.0094 ( 6812 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3452 -6.3452 -6.3452 -6.3452 -4.2832 -4.2832 -4.2829 -4.2829 -3.9415 -3.9415 -3.9414 -3.9414 2.7606 2.7606 2.7614 2.7614 3.8042 3.8042 3.8054 3.8054 4.1251 4.1251 4.1263 4.1263 4.7297 4.7297 4.7359 4.7359 5.1949 5.1949 5.2151 5.2151 5.7551 5.7551 5.8253 5.8253 6.0226 6.0226 6.0717 6.0717 6.4584 6.4584 6.4712 6.4712 8.3897 8.3897 8.3937 8.3937 10.2451 10.2451 10.2523 10.2523 10.5791 10.5791 10.5797 10.5797 k = 0.5000 0.3543-0.0017 ( 6812 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3451 -6.3451 -6.3451 -6.3451 -4.2831 -4.2831 -4.2829 -4.2829 -3.9419 -3.9419 -3.9418 -3.9418 2.7681 2.7681 2.7688 2.7688 3.7893 3.7893 3.7903 3.7903 4.1205 4.1205 4.1215 4.1215 4.7312 4.7312 4.7360 4.7360 5.2124 5.2124 5.2298 5.2298 5.7626 5.7626 5.8245 5.8245 6.0158 6.0158 6.0592 6.0592 6.4669 6.4669 6.4773 6.4773 8.3878 8.3878 8.3910 8.3910 10.2429 10.2429 10.2486 10.2486 10.5802 10.5802 10.5806 10.5806 k = 0.5000 0.3528-0.0127 ( 6814 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3450 -6.3450 -6.3450 -6.3450 -4.2830 -4.2830 -4.2829 -4.2829 -3.9422 -3.9422 -3.9421 -3.9421 2.7745 2.7745 2.7750 2.7750 3.7771 3.7771 3.7779 3.7779 4.1169 4.1169 4.1176 4.1176 4.7325 4.7325 4.7360 4.7360 5.2276 5.2276 5.2415 5.2415 5.7704 5.7704 5.8204 5.8204 6.0124 6.0124 6.0475 6.0475 6.4743 6.4743 6.4821 6.4821 8.3864 8.3864 8.3888 8.3888 10.2413 10.2413 10.2456 10.2456 10.5812 10.5812 10.5815 10.5815 k = 0.5000 0.3514-0.0238 ( 6816 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3449 -6.3449 -6.3449 -6.3449 -4.2830 -4.2830 -4.2829 -4.2829 -3.9423 -3.9423 -3.9423 -3.9423 2.7792 2.7792 2.7796 2.7796 3.7680 3.7680 3.7686 3.7686 4.1143 4.1143 4.1147 4.1147 4.7336 4.7336 4.7360 4.7360 5.2398 5.2398 5.2495 5.2495 5.7786 5.7786 5.8138 5.8138 6.0122 6.0122 6.0370 6.0370 6.4801 6.4801 6.4854 6.4854 8.3855 8.3855 8.3871 8.3871 10.2404 10.2404 10.2433 10.2433 10.5819 10.5819 10.5821 10.5821 k = 0.5000 0.3499-0.0349 ( 6810 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3448 -6.3448 -6.3448 -6.3448 -4.2829 -4.2829 -4.2829 -4.2829 -3.9424 -3.9424 -3.9424 -3.9424 2.7822 2.7822 2.7824 2.7824 3.7625 3.7625 3.7628 3.7628 4.1127 4.1127 4.1129 4.1129 4.7346 4.7346 4.7357 4.7357 5.2484 5.2484 5.2535 5.2535 5.7873 5.7873 5.8055 5.8055 6.0150 6.0150 6.0278 6.0278 6.4842 6.4842 6.4869 6.4869 8.3851 8.3851 8.3859 8.3859 10.2402 10.2402 10.2416 10.2416 10.5824 10.5824 10.5825 10.5825 k = 0.5000 0.3484-0.0460 ( 6816 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3448 -6.3448 -6.3448 -6.3448 -4.2829 -4.2829 -4.2829 -4.2829 -3.9425 -3.9425 -3.9425 -3.9425 2.7833 2.7833 2.7833 2.7833 3.7607 3.7607 3.7607 3.7607 4.1123 4.1123 4.1123 4.1123 4.7352 4.7352 4.7352 4.7352 5.2531 5.2531 5.2531 5.2531 5.7964 5.7964 5.7964 5.7964 6.0204 6.0204 6.0204 6.0204 6.4865 6.4865 6.4865 6.4865 8.3852 8.3852 8.3852 8.3852 10.2406 10.2406 10.2406 10.2406 10.5826 10.5826 10.5826 10.5826 k = 0.5000 0.3484-0.0460 ( 6816 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5859 -20.5859 -18.9069 -18.9069 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3448 -6.3448 -6.3448 -6.3448 -4.2829 -4.2829 -4.2829 -4.2829 -3.9425 -3.9425 -3.9425 -3.9425 2.7833 2.7833 2.7833 2.7833 3.7607 3.7607 3.7607 3.7607 4.1123 4.1123 4.1123 4.1123 4.7352 4.7352 4.7352 4.7352 5.2531 5.2531 5.2531 5.2531 5.7964 5.7964 5.7964 5.7964 6.0204 6.0204 6.0204 6.0204 6.4865 6.4865 6.4865 6.4865 8.3852 8.3852 8.3852 8.3852 10.2406 10.2406 10.2406 10.2406 10.5826 10.5826 10.5826 10.5826 k = 0.4881 0.3484-0.0460 ( 6816 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5861 -20.5861 -20.5856 -20.5856 -18.9073 -18.9073 -18.9064 -18.9064 -18.7621 -18.7621 -18.7619 -18.7619 -6.3483 -6.3483 -6.3421 -6.3421 -4.2847 -4.2847 -4.2833 -4.2833 -3.9458 -3.9458 -3.9388 -3.9388 2.7797 2.7797 2.7912 2.7912 3.7533 3.7533 3.7677 3.7677 4.1066 4.1066 4.1214 4.1214 4.7298 4.7298 4.7422 4.7422 5.2430 5.2430 5.2593 5.2593 5.7906 5.7906 5.8023 5.8023 6.0179 6.0179 6.0254 6.0254 6.4794 6.4794 6.4945 6.4945 8.3800 8.3800 8.3901 8.3901 10.2353 10.2353 10.2456 10.2456 10.5760 10.5760 10.5866 10.5866 k = 0.4762 0.3484-0.0460 ( 6818 PWs) bands (ev): -41.3051 -41.3051 -41.3050 -41.3050 -20.5862 -20.5862 -20.5852 -20.5852 -18.9074 -18.9074 -18.9056 -18.9056 -18.7622 -18.7622 -18.7618 -18.7618 -6.3525 -6.3525 -6.3401 -6.3401 -4.2886 -4.2886 -4.2860 -4.2860 -3.9486 -3.9486 -3.9347 -3.9347 2.7804 2.7804 2.8033 2.8033 3.7454 3.7454 3.7743 3.7743 4.1045 4.1045 4.1339 4.1339 4.7259 4.7259 4.7506 4.7506 5.2293 5.2293 5.2614 5.2614 5.7847 5.7847 5.8086 5.8086 6.0179 6.0179 6.0330 6.0330 6.4731 6.4731 6.5034 6.5034 8.3744 8.3744 8.3946 8.3946 10.2299 10.2299 10.2501 10.2501 10.5668 10.5668 10.5875 10.5875 k = 0.4643 0.3484-0.0460 ( 6812 PWs) bands (ev): -41.3051 -41.3051 -41.3051 -41.3051 -20.5862 -20.5862 -20.5847 -20.5847 -18.9073 -18.9073 -18.9046 -18.9046 -18.7624 -18.7624 -18.7618 -18.7618 -6.3575 -6.3575 -6.3389 -6.3389 -4.2946 -4.2946 -4.2908 -4.2908 -3.9510 -3.9510 -3.9304 -3.9304 2.7854 2.7854 2.8196 2.8196 3.7373 3.7373 3.7804 3.7804 4.1056 4.1056 4.1499 4.1499 4.7235 4.7235 4.7603 4.7603 5.2123 5.2123 5.2599 5.2599 5.7784 5.7784 5.8151 5.8151 6.0202 6.0202 6.0434 6.0434 6.4676 6.4676 6.5131 6.5131 8.3685 8.3685 8.3988 8.3988 10.2246 10.2246 10.2541 10.2541 10.5550 10.5550 10.5851 10.5851 k = 0.4524 0.3484-0.0460 ( 6818 PWs) bands (ev): -41.3052 -41.3052 -41.3052 -41.3052 -20.5861 -20.5861 -20.5841 -20.5841 -18.9070 -18.9070 -18.9034 -18.9034 -18.7626 -18.7626 -18.7619 -18.7619 -6.3631 -6.3631 -6.3384 -6.3384 -4.3024 -4.3024 -4.2976 -4.2976 -3.9530 -3.9530 -3.9260 -3.9260 2.7946 2.7946 2.8400 2.8400 3.7292 3.7292 3.7862 3.7862 4.1098 4.1098 4.1690 4.1690 4.7224 4.7224 4.7710 4.7710 5.1928 5.1928 5.2550 5.2550 5.7714 5.7714 5.8219 5.8219 6.0249 6.0249 6.0566 6.0566 6.4630 6.4630 6.5238 6.5238 8.3622 8.3622 8.4026 8.4026 10.2196 10.2196 10.2578 10.2578 10.5404 10.5404 10.5790 10.5790 k = 0.4405 0.3484-0.0460 ( 6816 PWs) bands (ev): -41.3053 -41.3053 -41.3052 -41.3052 -20.5859 -20.5859 -20.5835 -20.5835 -18.9064 -18.9064 -18.9020 -18.9020 -18.7629 -18.7629 -18.7619 -18.7619 -6.3695 -6.3695 -6.3387 -6.3387 -4.3119 -4.3119 -4.3064 -4.3064 -3.9548 -3.9548 -3.9215 -3.9215 2.8081 2.8081 2.8643 2.8643 3.7212 3.7212 3.7917 3.7917 4.1169 4.1169 4.1911 4.1911 4.7222 4.7222 4.7823 4.7823 5.1713 5.1713 5.2474 5.2474 5.7639 5.7639 5.8288 5.8288 6.0319 6.0319 6.0726 6.0726 6.4593 6.4593 6.5352 6.5352 8.3554 8.3554 8.4060 8.4060 10.2153 10.2153 10.2611 10.2611 10.5229 10.5229 10.5687 10.5687 k = 0.4286 0.3484-0.0460 ( 6814 PWs) bands (ev): -41.3054 -41.3054 -41.3054 -41.3054 -20.5856 -20.5856 -20.5828 -20.5828 -18.9057 -18.9057 -18.9004 -18.9004 -18.7631 -18.7631 -18.7620 -18.7620 -6.3765 -6.3765 -6.3397 -6.3397 -4.3230 -4.3230 -4.3169 -4.3169 -3.9563 -3.9563 -3.9171 -3.9171 2.8257 2.8257 2.8924 2.8924 3.7134 3.7134 3.7971 3.7971 4.1264 4.1264 4.2158 4.2158 4.7226 4.7226 4.7940 4.7940 5.1488 5.1488 5.2377 5.2377 5.7557 5.7557 5.8359 5.8359 6.0411 6.0411 6.0913 6.0913 6.4564 6.4564 6.5476 6.5476 8.3482 8.3482 8.4090 8.4090 10.2118 10.2118 10.2642 10.2642 10.5023 10.5023 10.5539 10.5539 k = 0.4167 0.3484-0.0460 ( 6814 PWs) bands (ev): -41.3055 -41.3055 -41.3055 -41.3055 -20.5853 -20.5853 -20.5819 -20.5819 -18.9048 -18.9048 -18.8987 -18.8987 -18.7634 -18.7634 -18.7621 -18.7621 -6.3842 -6.3842 -6.3415 -6.3415 -4.3355 -4.3355 -4.3289 -4.3289 -3.9579 -3.9579 -3.9130 -3.9130 2.8472 2.8472 2.9240 2.9240 3.7062 3.7062 3.8027 3.8027 4.1379 4.1379 4.2427 4.2427 4.7232 4.7232 4.8057 4.8057 5.1259 5.1259 5.2267 5.2267 5.7472 5.7472 5.8431 5.8431 6.0526 6.0526 6.1125 6.1125 6.4545 6.4545 6.5607 6.5607 8.3404 8.3404 8.4114 8.4114 10.2093 10.2093 10.2674 10.2674 10.4785 10.4785 10.5345 10.5345 k = 0.4048 0.3484-0.0460 ( 6812 PWs) bands (ev): -41.3056 -41.3056 -41.3056 -41.3056 -20.5848 -20.5848 -20.5811 -20.5811 -18.9036 -18.9036 -18.8967 -18.8967 -18.7638 -18.7638 -18.7623 -18.7623 -6.3926 -6.3926 -6.3440 -6.3440 -4.3491 -4.3491 -4.3422 -4.3422 -3.9594 -3.9594 -3.9091 -3.9091 2.8727 2.8727 2.9590 2.9590 3.6996 3.6996 3.8086 3.8086 4.1508 4.1508 4.2714 4.2714 4.7236 4.7236 4.8172 4.8172 5.1036 5.1036 5.2153 5.2153 5.7386 5.7386 5.8505 5.8505 6.0664 6.0664 6.1358 6.1358 6.4536 6.4536 6.5746 6.5746 8.3321 8.3321 8.4133 8.4133 10.2079 10.2079 10.2705 10.2705 10.4516 10.4516 10.5106 10.5106 k = 0.3929 0.3484-0.0460 ( 6810 PWs) bands (ev): -41.3058 -41.3058 -41.3058 -41.3058 -20.5843 -20.5843 -20.5801 -20.5801 -18.9023 -18.9023 -18.8947 -18.8947 -18.7641 -18.7641 -18.7624 -18.7624 -6.4016 -6.4016 -6.3472 -6.3472 -4.3637 -4.3637 -4.3566 -4.3566 -3.9611 -3.9611 -3.9057 -3.9057 2.9017 2.9017 2.9970 2.9970 3.6938 3.6938 3.8150 3.8150 4.1645 4.1645 4.3011 4.3011 4.7235 4.7235 4.8282 4.8282 5.0826 5.0826 5.2043 5.2043 5.7302 5.7302 5.8579 5.8579 6.0826 6.0826 6.1612 6.1612 6.4540 6.4540 6.5892 6.5892 8.3232 8.3232 8.4146 8.4146 10.2076 10.2076 10.2738 10.2738 10.4219 10.4219 10.4823 10.4823 k = 0.3810 0.3484-0.0460 ( 6810 PWs) bands (ev): -41.3059 -41.3059 -41.3059 -41.3059 -20.5836 -20.5836 -20.5791 -20.5791 -18.9008 -18.9008 -18.8924 -18.8924 -18.7644 -18.7644 -18.7626 -18.7626 -6.4111 -6.4111 -6.3512 -6.3512 -4.3792 -4.3792 -4.3719 -4.3719 -3.9631 -3.9631 -3.9028 -3.9028 2.9343 2.9343 3.0378 3.0378 3.6890 3.6890 3.8221 3.8221 4.1784 4.1784 4.3311 4.3311 4.7227 4.7227 4.8382 4.8382 5.0642 5.0642 5.1946 5.1946 5.7222 5.7222 5.8654 5.8654 6.1012 6.1012 6.1884 6.1884 6.4555 6.4555 6.6046 6.6046 8.3138 8.3138 8.4153 8.4153 10.2079 10.2079 10.2772 10.2772 10.3898 10.3898 10.4500 10.4500 k = 0.3690 0.3484-0.0460 ( 6808 PWs) bands (ev): -41.3061 -41.3061 -41.3061 -41.3061 -20.5829 -20.5829 -20.5780 -20.5780 -18.8991 -18.8991 -18.8901 -18.8901 -18.7648 -18.7648 -18.7628 -18.7628 -6.4212 -6.4212 -6.3558 -6.3558 -4.3953 -4.3953 -4.3878 -4.3878 -3.9654 -3.9654 -3.9004 -3.9004 2.9700 2.9700 3.0808 3.0808 3.6854 3.6854 3.8302 3.8302 4.1918 4.1918 4.3603 4.3603 4.7212 4.7212 4.8470 4.8470 5.0494 5.0494 5.1874 5.1874 5.7147 5.7147 5.8729 5.8729 6.1223 6.1223 6.2173 6.2173 6.4585 6.4585 6.6205 6.6205 8.3037 8.3037 8.4154 8.4154 10.2082 10.2082 10.2803 10.2803 10.3564 10.3564 10.4141 10.4141 k = 0.3571 0.3484-0.0460 ( 6792 PWs) bands (ev): -41.3063 -41.3063 -41.3063 -41.3063 -20.5821 -20.5821 -20.5769 -20.5769 -18.8973 -18.8973 -18.8876 -18.8876 -18.7651 -18.7651 -18.7629 -18.7629 -6.4319 -6.4319 -6.3610 -6.3610 -4.4120 -4.4120 -4.4043 -4.4043 -3.9680 -3.9680 -3.8985 -3.8985 3.0086 3.0086 3.1256 3.1256 3.6831 3.6831 3.8395 3.8395 4.2041 4.2041 4.3876 4.3876 4.7191 4.7191 4.8535 4.8535 5.0399 5.0399 5.1837 5.1837 5.7078 5.7078 5.8800 5.8800 6.1462 6.1462 6.2480 6.2480 6.4630 6.4630 6.6370 6.6370 8.2932 8.2932 8.4149 8.4149 10.2066 10.2066 10.2820 10.2820 10.3245 10.3245 10.3757 10.3757 k = 0.3452 0.3484-0.0460 ( 6790 PWs) bands (ev): -41.3065 -41.3065 -41.3065 -41.3065 -20.5813 -20.5813 -20.5758 -20.5758 -18.8953 -18.8953 -18.8851 -18.8851 -18.7654 -18.7654 -18.7631 -18.7631 -6.4430 -6.4430 -6.3669 -6.3669 -4.4292 -4.4292 -4.4211 -4.4211 -3.9710 -3.9710 -3.8972 -3.8972 3.0497 3.0497 3.1713 3.1713 3.6823 3.6823 3.8502 3.8502 4.2150 4.2150 4.4114 4.4114 4.7169 4.7169 4.8569 4.8569 5.0375 5.0375 5.1846 5.1846 5.7014 5.7014 5.8867 5.8867 6.1730 6.1730 6.2803 6.2803 6.4690 6.4690 6.6539 6.6539 8.2822 8.2822 8.4139 8.4139 10.1981 10.1981 10.2788 10.2788 10.2992 10.2992 10.3380 10.3380 k = 0.3333 0.3484-0.0460 ( 6778 PWs) bands (ev): -41.3067 -41.3067 -41.3067 -41.3067 -20.5804 -20.5804 -20.5746 -20.5746 -18.8932 -18.8932 -18.8825 -18.8825 -18.7657 -18.7657 -18.7632 -18.7632 -6.4545 -6.4545 -6.3734 -6.3734 -4.4466 -4.4466 -4.4381 -4.4381 -3.9744 -3.9744 -3.8965 -3.8965 3.0929 3.0929 3.2173 3.2173 3.6835 3.6835 3.8624 3.8624 4.2242 4.2242 4.4305 4.4305 4.7148 4.7148 4.8564 4.8564 5.0438 5.0438 5.1914 5.1914 5.6953 5.6953 5.8927 5.8927 6.2027 6.2027 6.3144 6.3144 6.4767 6.4767 6.6713 6.6713 8.2708 8.2708 8.4124 8.4124 10.1762 10.1762 10.2673 10.2673 10.2757 10.2757 10.3166 10.3166 k = 0.3214 0.3484-0.0460 ( 6774 PWs) bands (ev): -41.3069 -41.3069 -41.3069 -41.3069 -20.5794 -20.5794 -20.5734 -20.5734 -18.8910 -18.8910 -18.8798 -18.8798 -18.7659 -18.7659 -18.7634 -18.7634 -6.4665 -6.4665 -6.3805 -6.3805 -4.4641 -4.4641 -4.4551 -4.4551 -3.9783 -3.9783 -3.8964 -3.8964 3.1377 3.1377 3.2622 3.2622 3.6870 3.6870 3.8763 3.8763 4.2318 4.2318 4.4438 4.4438 4.7133 4.7133 4.8519 4.8519 5.0593 5.0593 5.2048 5.2048 5.6894 5.6894 5.8977 5.8977 6.2352 6.2352 6.3499 6.3499 6.4863 6.4863 6.6890 6.6890 8.2592 8.2592 8.4105 8.4105 10.1409 10.1409 10.2264 10.2264 10.2719 10.2719 10.3146 10.3146 k = 0.3095 0.3484-0.0460 ( 6774 PWs) bands (ev): -41.3072 -41.3072 -41.3072 -41.3072 -20.5784 -20.5784 -20.5722 -20.5722 -18.8887 -18.8887 -18.8772 -18.8772 -18.7661 -18.7661 -18.7634 -18.7634 -6.4788 -6.4788 -6.3881 -6.3881 -4.4817 -4.4817 -4.4721 -4.4721 -3.9825 -3.9825 -3.8968 -3.8968 3.1836 3.1836 3.3045 3.3045 3.6938 3.6938 3.8922 3.8922 4.2384 4.2384 4.4505 4.4505 4.7127 4.7127 4.8445 4.8445 5.0834 5.0834 5.2253 5.2253 5.6836 5.6836 5.9017 5.9017 6.2702 6.2702 6.3865 6.3865 6.4983 6.4983 6.7070 6.7070 8.2473 8.2473 8.4084 8.4084 10.0978 10.0978 10.1769 10.1769 10.2760 10.2760 10.3177 10.3177 k = 0.2976 0.3484-0.0460 ( 6776 PWs) bands (ev): -41.3074 -41.3074 -41.3074 -41.3074 -20.5773 -20.5773 -20.5710 -20.5710 -18.8864 -18.8864 -18.8745 -18.8745 -18.7663 -18.7663 -18.7635 -18.7635 -6.4914 -6.4914 -6.3961 -6.3961 -4.4992 -4.4992 -4.4890 -4.4890 -3.9871 -3.9871 -3.8978 -3.8978 3.2298 3.2298 3.3424 3.3424 3.7049 3.7049 3.9101 3.9101 4.2445 4.2445 4.4510 4.4510 4.7129 4.7129 4.8356 4.8356 5.1149 5.1149 5.2529 5.2529 5.6779 5.6779 5.9047 5.9047 6.3071 6.3071 6.4229 6.4229 6.5138 6.5138 6.7252 6.7252 8.2355 8.2355 8.4062 8.4062 10.0504 10.0504 10.1243 10.1243 10.2829 10.2829 10.3219 10.3219 k = 0.2857 0.3484-0.0460 ( 6780 PWs) bands (ev): -41.3077 -41.3077 -41.3077 -41.3077 -20.5762 -20.5762 -20.5697 -20.5697 -18.8839 -18.8839 -18.8718 -18.8718 -18.7663 -18.7663 -18.7635 -18.7635 -6.5042 -6.5042 -6.4046 -6.4046 -4.5165 -4.5165 -4.5056 -4.5056 -3.9920 -3.9920 -3.8992 -3.8992 3.2756 3.2756 3.3740 3.3740 3.7216 3.7216 3.9301 3.9301 4.2508 4.2508 4.4459 4.4459 4.7139 4.7139 4.8265 4.8265 5.1524 5.1524 5.2869 5.2869 5.6726 5.6726 5.9069 5.9069 6.3453 6.3453 6.4570 6.4570 6.5352 6.5352 6.7439 6.7439 8.2238 8.2238 8.4040 8.4040 10.0006 10.0006 10.0696 10.0696 10.2907 10.2907 10.3262 10.3262 k = 0.2738 0.3484-0.0460 ( 6788 PWs) bands (ev): -41.3080 -41.3080 -41.3080 -41.3080 -20.5751 -20.5751 -20.5685 -20.5685 -18.8815 -18.8815 -18.8692 -18.8692 -18.7663 -18.7663 -18.7634 -18.7634 -6.5172 -6.5172 -6.4135 -6.4135 -4.5335 -4.5335 -4.5219 -4.5219 -3.9973 -3.9973 -3.9011 -3.9011 3.3200 3.3200 3.3976 3.3976 3.7447 3.7447 3.9525 3.9525 4.2580 4.2580 4.4366 4.4366 4.7160 4.7160 4.8185 4.8185 5.1943 5.1943 5.3256 5.3256 5.6685 5.6685 5.9086 5.9086 6.3834 6.3834 6.4865 6.4865 6.5648 6.5648 6.7629 6.7629 8.2124 8.2124 8.4020 8.4020 9.9491 9.9491 10.0133 10.0133 10.2984 10.2984 10.3303 10.3303 k = 0.2619 0.3484-0.0460 ( 6784 PWs) bands (ev): -41.3082 -41.3082 -41.3082 -41.3082 -20.5739 -20.5739 -20.5673 -20.5673 -18.8790 -18.8790 -18.8666 -18.8666 -18.7662 -18.7662 -18.7633 -18.7633 -6.5303 -6.5303 -6.4227 -6.4227 -4.5502 -4.5502 -4.5379 -4.5379 -4.0028 -4.0028 -3.9034 -3.9034 3.3613 3.3613 3.4134 3.4134 3.7744 3.7744 3.9773 3.9773 4.2666 4.2666 4.4244 4.4244 4.7195 4.7195 4.8125 4.8125 5.2393 5.2393 5.3666 5.3666 5.6669 5.6669 5.9102 5.9102 6.4196 6.4196 6.5124 6.5124 6.6026 6.6026 6.7827 6.7827 8.2015 8.2015 8.4004 8.4004 9.8966 9.8966 9.9556 9.9556 10.3049 10.3049 10.3339 10.3339 k = 0.2500 0.3484-0.0460 ( 6788 PWs) bands (ev): -41.3085 -41.3085 -41.3085 -41.3085 -20.5728 -20.5728 -20.5661 -20.5661 -18.8766 -18.8766 -18.8642 -18.8642 -18.7661 -18.7661 -18.7631 -18.7631 -6.5435 -6.5435 -6.4321 -6.4321 -4.5664 -4.5664 -4.5534 -4.5534 -4.0085 -4.0085 -3.9061 -3.9061 3.3941 3.3941 3.4262 3.4262 3.8096 3.8096 4.0044 4.0044 4.2766 4.2766 4.4107 4.4107 4.7251 4.7251 4.8097 4.8097 5.2855 5.2855 5.4065 5.4065 5.6702 5.6702 5.9122 5.9122 6.4515 6.4515 6.5386 6.5386 6.6457 6.6457 6.8035 6.8035 8.1912 8.1912 8.3993 8.3993 9.8434 9.8434 9.8970 9.8970 10.3093 10.3093 10.3370 10.3370 k = 0.2381 0.3484-0.0460 ( 6788 PWs) bands (ev): -41.3088 -41.3088 -41.3087 -41.3087 -20.5716 -20.5716 -20.5650 -20.5650 -18.8742 -18.8742 -18.8618 -18.8618 -18.7658 -18.7658 -18.7629 -18.7629 -6.5566 -6.5566 -6.4417 -6.4417 -4.5821 -4.5821 -4.5685 -4.5685 -4.0144 -4.0144 -3.9091 -3.9091 3.4046 3.4046 3.4504 3.4504 3.8487 3.8487 4.0337 4.0337 4.2877 4.2877 4.3970 4.3970 4.7334 4.7334 4.8110 4.8110 5.3310 5.3310 5.4408 5.4408 5.6821 5.6821 5.9152 5.9152 6.4775 6.4775 6.5683 6.5683 6.6917 6.6917 6.8259 6.8259 8.1817 8.1817 8.3991 8.3991 9.7898 9.7898 9.8376 9.8376 10.3107 10.3107 10.3392 10.3392 k = 0.2262 0.3484-0.0460 ( 6790 PWs) bands (ev): -41.3090 -41.3090 -41.3090 -41.3090 -20.5704 -20.5704 -20.5639 -20.5639 -18.8718 -18.8718 -18.8596 -18.8596 -18.7654 -18.7654 -18.7626 -18.7626 -6.5697 -6.5697 -6.4515 -6.4515 -4.5973 -4.5973 -4.5830 -4.5830 -4.0204 -4.0204 -3.9124 -3.9124 3.3993 3.3993 3.4799 3.4799 3.8898 3.8898 4.0649 4.0649 4.2988 4.2988 4.3848 4.3848 4.7455 4.7455 4.8176 4.8176 5.3733 5.3733 5.4654 5.4654 5.7058 5.7058 5.9201 5.9201 6.4981 6.4981 6.6015 6.6015 6.7387 6.7387 6.8505 6.8505 8.1731 8.1731 8.3997 8.3997 9.7361 9.7361 9.7777 9.7777 10.3087 10.3087 10.3398 10.3398 k = 0.2143 0.3484-0.0460 ( 6784 PWs) bands (ev): -41.3093 -41.3093 -41.3092 -41.3092 -20.5692 -20.5692 -20.5628 -20.5628 -18.8695 -18.8695 -18.8575 -18.8575 -18.7649 -18.7649 -18.7621 -18.7621 -6.5826 -6.5826 -6.4613 -6.4613 -4.6119 -4.6119 -4.5969 -4.5969 -4.0265 -4.0265 -3.9159 -3.9159 3.3875 3.3875 3.5066 3.5066 3.9315 3.9315 4.0974 4.0974 4.3080 4.3080 4.3763 4.3763 4.7621 4.7621 4.8301 4.8301 5.4085 5.4085 5.4809 5.4809 5.7415 5.7415 5.9274 5.9274 6.5155 6.5155 6.6365 6.6365 6.7854 6.7854 6.8780 6.8780 8.1655 8.1655 8.4014 8.4014 9.6827 9.6827 9.7176 9.7176 10.3032 10.3032 10.3378 10.3378 k = 0.2024 0.3484-0.0460 ( 6794 PWs) bands (ev): -41.3096 -41.3096 -41.3095 -41.3095 -20.5681 -20.5681 -20.5617 -20.5617 -18.8673 -18.8673 -18.8556 -18.8556 -18.7643 -18.7643 -18.7617 -18.7617 -6.5954 -6.5954 -6.4711 -6.4711 -4.6258 -4.6258 -4.6102 -4.6102 -4.0325 -4.0325 -3.9195 -3.9195 3.3716 3.3716 3.5285 3.5285 3.9726 3.9726 4.1302 4.1302 4.3134 4.3134 4.3743 4.3743 4.7841 4.7841 4.8493 4.8493 5.4306 5.4306 5.4939 5.4939 5.7858 5.7858 5.9379 5.9379 6.5321 6.5321 6.6717 6.6717 6.8307 6.8307 6.9090 6.9090 8.1589 8.1589 8.4042 8.4042 9.6298 9.6298 9.6574 9.6574 10.2943 10.2943 10.3319 10.3319 k = 0.1905 0.3484-0.0460 ( 6788 PWs) bands (ev): -41.3098 -41.3098 -41.3098 -41.3098 -20.5669 -20.5669 -20.5608 -20.5608 -18.8651 -18.8651 -18.8539 -18.8539 -18.7636 -18.7636 -18.7611 -18.7611 -6.6078 -6.6078 -6.4809 -6.4809 -4.6390 -4.6390 -4.6229 -4.6229 -4.0385 -4.0385 -3.9232 -3.9232 3.3531 3.3531 3.5454 3.5454 4.0121 4.0121 4.1616 4.1616 4.3154 4.3154 4.3794 4.3794 4.8119 4.8119 4.8751 4.8751 5.4355 5.4355 5.5100 5.5100 5.8339 5.8339 5.9516 5.9516 6.5495 6.5495 6.7069 6.7069 6.8737 6.8737 6.9437 6.9437 8.1535 8.1535 8.4082 8.4082 9.5776 9.5776 9.5975 9.5975 10.2820 10.2820 10.3211 10.3211 k = 0.1786 0.3484-0.0460 ( 6796 PWs) bands (ev): -41.3101 -41.3101 -41.3100 -41.3100 -20.5658 -20.5658 -20.5598 -20.5598 -18.8631 -18.8631 -18.8523 -18.8523 -18.7628 -18.7628 -18.7604 -18.7604 -6.6199 -6.6199 -6.4904 -6.4904 -4.6515 -4.6515 -4.6349 -4.6349 -4.0445 -4.0445 -3.9270 -3.9270 3.3329 3.3329 3.5572 3.5572 4.0491 4.0491 4.1885 4.1885 4.3192 4.3192 4.3897 4.3897 4.8455 4.8455 4.9073 4.9073 5.4284 5.4284 5.5261 5.5261 5.8818 5.8818 5.9680 5.9680 6.5688 6.5688 6.7424 6.7424 6.9141 6.9141 6.9816 6.9816 8.1492 8.1492 8.4133 8.4133 9.5265 9.5265 9.5382 9.5382 10.2662 10.2662 10.3048 10.3048 k = 0.1667 0.3484-0.0460 ( 6796 PWs) bands (ev): -41.3103 -41.3103 -41.3103 -41.3103 -20.5647 -20.5647 -20.5589 -20.5589 -18.8612 -18.8612 -18.8509 -18.8509 -18.7619 -18.7619 -18.7597 -18.7597 -6.6315 -6.6315 -6.4998 -6.4998 -4.6633 -4.6633 -4.6462 -4.6462 -4.0502 -4.0502 -3.9308 -3.9308 3.3116 3.3116 3.5644 3.5644 4.0827 4.0827 4.2068 4.2068 4.3311 4.3311 4.4035 4.4035 4.8844 4.8844 4.9449 4.9449 5.4150 5.4150 5.5382 5.5382 5.9265 5.9265 5.9862 5.9862 6.5909 6.5909 6.7790 6.7790 6.9520 6.9520 7.0216 7.0216 8.1461 8.1461 8.4194 8.4194 9.4764 9.4764 9.4800 9.4800 10.2469 10.2469 10.2826 10.2826 k = 0.1548 0.3484-0.0460 ( 6796 PWs) bands (ev): -41.3105 -41.3105 -41.3105 -41.3105 -20.5636 -20.5636 -20.5581 -20.5581 -18.8594 -18.8594 -18.8497 -18.8497 -18.7610 -18.7610 -18.7590 -18.7590 -6.6427 -6.6427 -6.5089 -6.5089 -4.6743 -4.6743 -4.6567 -4.6567 -4.0558 -4.0558 -3.9346 -3.9346 3.2899 3.2899 3.5675 3.5675 4.1119 4.1119 4.2145 4.2145 4.3541 4.3541 4.4208 4.4208 4.9280 4.9280 4.9865 4.9865 5.3983 5.3983 5.5454 5.5454 5.9651 5.9651 6.0051 6.0051 6.6163 6.6163 6.8179 6.8179 6.9881 6.9881 7.0624 7.0624 8.1439 8.1439 8.4263 8.4263 9.4217 9.4217 9.4292 9.4292 10.2243 10.2243 10.2548 10.2548 k = 0.1429 0.3484-0.0460 ( 6796 PWs) bands (ev): -41.3107 -41.3107 -41.3107 -41.3107 -20.5625 -20.5625 -20.5574 -20.5574 -18.8577 -18.8577 -18.8486 -18.8486 -18.7600 -18.7600 -18.7582 -18.7582 -6.6534 -6.6534 -6.5176 -6.5176 -4.6846 -4.6846 -4.6666 -4.6666 -4.0612 -4.0612 -3.9383 -3.9383 3.2683 3.2683 3.5673 3.5673 4.1360 4.1360 4.2145 4.2145 4.3857 4.3857 4.4422 4.4422 4.9747 4.9747 5.0305 5.0305 5.3796 5.3796 5.5484 5.5484 5.9948 5.9948 6.0246 6.0246 6.6445 6.6445 6.8596 6.8596 7.0229 7.0229 7.1030 7.1030 8.1428 8.1428 8.4336 8.4336 9.3658 9.3658 9.3830 9.3830 10.1983 10.1983 10.2221 10.2221 k = 0.1310 0.3484-0.0460 ( 6806 PWs) bands (ev): -41.3109 -41.3109 -41.3109 -41.3109 -20.5616 -20.5616 -20.5567 -20.5567 -18.8562 -18.8562 -18.8477 -18.8477 -18.7591 -18.7591 -18.7574 -18.7574 -6.6634 -6.6634 -6.5258 -6.5258 -4.6940 -4.6940 -4.6757 -4.6757 -4.0662 -4.0662 -3.9418 -3.9418 3.2472 3.2472 3.5643 3.5643 4.1545 4.1545 4.2103 4.2103 4.4224 4.4224 4.4684 4.4684 5.0230 5.0230 5.0748 5.0748 5.3600 5.3600 5.5489 5.5489 6.0143 6.0143 6.0445 6.0445 6.6746 6.6746 6.9042 6.9042 7.0568 7.0568 7.1429 7.1429 8.1424 8.1424 8.4411 8.4411 9.3116 9.3116 9.3389 9.3389 10.1693 10.1693 10.1859 10.1859 k = 0.1190 0.3484-0.0460 ( 6818 PWs) bands (ev): -41.3111 -41.3111 -41.3111 -41.3111 -20.5606 -20.5606 -20.5561 -20.5561 -18.8547 -18.8547 -18.8470 -18.8470 -18.7581 -18.7581 -18.7565 -18.7565 -6.6728 -6.6728 -6.5336 -6.5336 -4.7027 -4.7027 -4.6840 -4.6840 -4.0710 -4.0710 -3.9452 -3.9452 3.2269 3.2269 3.5593 3.5593 4.1677 4.1677 4.2045 4.2045 4.4616 4.4616 4.4996 4.4996 5.0702 5.0702 5.1173 5.1173 5.3410 5.3410 5.5486 5.5486 6.0255 6.0255 6.0621 6.0621 6.7050 6.7050 6.9510 6.9510 7.0906 7.0906 7.1820 7.1820 8.1428 8.1428 8.4484 8.4484 9.2596 9.2596 9.2971 9.2971 10.1371 10.1371 10.1478 10.1478 k = 0.1071 0.3484-0.0460 ( 6810 PWs) bands (ev): -41.3113 -41.3113 -41.3113 -41.3113 -20.5597 -20.5597 -20.5556 -20.5556 -18.8534 -18.8534 -18.8464 -18.8464 -18.7571 -18.7571 -18.7557 -18.7557 -6.6814 -6.6814 -6.5409 -6.5409 -4.7106 -4.7106 -4.6915 -4.6915 -4.0754 -4.0754 -3.9484 -3.9484 3.2078 3.2078 3.5530 3.5530 4.1761 4.1761 4.1985 4.1985 4.5020 4.5020 4.5356 4.5356 5.1123 5.1123 5.1553 5.1553 5.3252 5.3252 5.5497 5.5497 6.0315 6.0315 6.0752 6.0752 6.7338 6.7338 6.9983 6.9983 7.1250 7.1250 7.2206 7.2206 8.1437 8.1437 8.4551 8.4551 9.2103 9.2103 9.2577 9.2577 10.1015 10.1015 10.1105 10.1105 k = 0.0952 0.3484-0.0460 ( 6806 PWs) bands (ev): -41.3115 -41.3115 -41.3114 -41.3114 -20.5589 -20.5589 -20.5552 -20.5552 -18.8523 -18.8523 -18.8460 -18.8460 -18.7562 -18.7562 -18.7549 -18.7549 -6.6893 -6.6893 -6.5475 -6.5475 -4.7176 -4.7176 -4.6983 -4.6983 -4.0794 -4.0794 -3.9513 -3.9513 3.1902 3.1902 3.5460 3.5460 4.1799 4.1799 4.1934 4.1934 4.5426 4.5426 4.5753 4.5753 5.1445 5.1445 5.1839 5.1839 5.3187 5.3187 5.5543 5.5543 6.0338 6.0338 6.0837 6.0837 6.7594 6.7594 7.0434 7.0434 7.1607 7.1607 7.2591 7.2591 8.1450 8.1450 8.4609 8.4609 9.1641 9.1641 9.2208 9.2208 10.0633 10.0633 10.0750 10.0750 k = 0.0833 0.3484-0.0460 ( 6804 PWs) bands (ev): -41.3116 -41.3116 -41.3116 -41.3116 -20.5581 -20.5581 -20.5548 -20.5548 -18.8512 -18.8512 -18.8456 -18.8456 -18.7553 -18.7553 -18.7541 -18.7541 -6.6963 -6.6963 -6.5535 -6.5535 -4.7238 -4.7238 -4.7043 -4.7043 -4.0831 -4.0831 -3.9540 -3.9540 3.1741 3.1741 3.5387 3.5387 4.1790 4.1790 4.1909 4.1909 4.5832 4.5832 4.6176 4.6176 5.1626 5.1626 5.1949 5.1949 5.3306 5.3306 5.5638 5.5638 6.0334 6.0334 6.0881 6.0881 6.7804 6.7804 7.0836 7.0836 7.1984 7.1984 7.2979 7.2979 8.1465 8.1465 8.4656 8.4656 9.1216 9.1216 9.1864 9.1864 10.0258 10.0258 10.0407 10.0407 k = 0.0714 0.3484-0.0460 ( 6806 PWs) bands (ev): -41.3117 -41.3117 -41.3117 -41.3117 -20.5574 -20.5574 -20.5545 -20.5545 -18.8502 -18.8502 -18.8454 -18.8454 -18.7545 -18.7545 -18.7534 -18.7534 -6.7025 -6.7025 -6.5588 -6.5588 -4.7292 -4.7292 -4.7095 -4.7095 -4.0863 -4.0863 -3.9563 -3.9563 3.1599 3.1599 3.5315 3.5315 4.1751 4.1751 4.1901 4.1901 4.6232 4.6232 4.6611 4.6611 5.1649 5.1649 5.1897 5.1897 5.3596 5.3596 5.5782 5.5782 6.0313 6.0313 6.0895 6.0895 6.7964 6.7964 7.1168 7.1168 7.2378 7.2378 7.3367 7.3367 8.1481 8.1481 8.4692 8.4692 9.0833 9.0833 9.1548 9.1548 9.9909 9.9909 10.0079 10.0079 k = 0.0595 0.3484-0.0460 ( 6804 PWs) bands (ev): -41.3118 -41.3118 -41.3118 -41.3118 -20.5567 -20.5567 -20.5543 -20.5543 -18.8494 -18.8494 -18.8453 -18.8453 -18.7538 -18.7538 -18.7528 -18.7528 -6.7079 -6.7079 -6.5633 -6.5633 -4.7338 -4.7338 -4.7139 -4.7139 -4.0890 -4.0890 -3.9584 -3.9584 3.1476 3.1476 3.5249 3.5249 4.1707 4.1707 4.1895 4.1895 4.6622 4.6622 4.7046 4.7046 5.1528 5.1528 5.1776 5.1776 5.3953 5.3953 5.5958 5.5958 6.0282 6.0282 6.0887 6.0887 6.8076 6.8076 7.1426 7.1426 7.2769 7.2769 7.3747 7.3747 8.1497 8.1497 8.4716 8.4716 9.0496 9.0496 9.1262 9.1262 9.9598 9.9598 9.9776 9.9776 k = 0.0476 0.3484-0.0460 ( 6806 PWs) bands (ev): -41.3119 -41.3119 -41.3119 -41.3119 -20.5561 -20.5561 -20.5542 -20.5542 -18.8486 -18.8486 -18.8453 -18.8453 -18.7532 -18.7532 -18.7522 -18.7522 -6.7123 -6.7123 -6.5671 -6.5671 -4.7375 -4.7375 -4.7175 -4.7175 -4.0913 -4.0913 -3.9601 -3.9601 3.1373 3.1373 3.5192 3.5192 4.1668 4.1668 4.1886 4.1886 4.6991 4.6991 4.7466 4.7466 5.1332 5.1332 5.1610 5.1610 5.4302 5.4302 5.6144 5.6144 6.0248 6.0248 6.0867 6.0867 6.8148 6.8148 7.1616 7.1616 7.3133 7.3133 7.4100 7.4100 8.1512 8.1512 8.4731 8.4731 9.0212 9.0212 9.1011 9.1011 9.9334 9.9334 9.9507 9.9507 k = 0.0357 0.3484-0.0460 ( 6808 PWs) bands (ev): -41.3120 -41.3120 -41.3119 -41.3119 -20.5556 -20.5556 -20.5541 -20.5541 -18.8480 -18.8480 -18.8454 -18.8454 -18.7528 -18.7528 -18.7518 -18.7518 -6.7157 -6.7157 -6.5700 -6.5700 -4.7404 -4.7404 -4.7203 -4.7203 -4.0930 -4.0930 -3.9614 -3.9614 3.1293 3.1293 3.5145 3.5145 4.1636 4.1636 4.1877 4.1877 4.7325 4.7325 4.7853 4.7853 5.1123 5.1123 5.1406 5.1406 5.4604 5.4604 5.6315 5.6315 6.0216 6.0216 6.0842 6.0842 6.8189 6.8189 7.1751 7.1751 7.3442 7.3442 7.4407 7.4407 8.1525 8.1525 8.4739 8.4739 8.9984 8.9984 9.0802 9.0802 9.9125 9.9125 9.9284 9.9284 k = 0.0238 0.3484-0.0460 ( 6812 PWs) bands (ev): -41.3120 -41.3120 -41.3120 -41.3120 -20.5552 -20.5552 -20.5542 -20.5542 -18.8474 -18.8474 -18.8455 -18.8455 -18.7524 -18.7524 -18.7514 -18.7514 -6.7182 -6.7182 -6.5722 -6.5722 -4.7425 -4.7425 -4.7223 -4.7223 -4.0943 -4.0943 -3.9624 -3.9624 3.1235 3.1235 3.5110 3.5110 4.1612 4.1612 4.1870 4.1870 4.7602 4.7602 4.8180 4.8180 5.0945 5.0945 5.1190 5.1190 5.4836 5.4836 5.6450 5.6450 6.0190 6.0190 6.0819 6.0819 6.8210 6.8210 7.1840 7.1840 7.3678 7.3678 7.4645 7.4645 8.1535 8.1535 8.4742 8.4742 8.9817 8.9817 9.0644 9.0644 9.8974 9.8974 9.9116 9.9116 k = 0.0119 0.3484-0.0460 ( 6812 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5548 -20.5548 -20.5543 -20.5543 -18.8470 -18.8470 -18.8457 -18.8457 -18.7522 -18.7522 -18.7512 -18.7512 -6.7197 -6.7197 -6.5735 -6.5735 -4.7438 -4.7438 -4.7236 -4.7236 -4.0951 -4.0951 -3.9630 -3.9630 3.1200 3.1200 3.5089 3.5089 4.1598 4.1598 4.1865 4.1865 4.7791 4.7791 4.8407 4.8407 5.0837 5.0837 5.1005 5.1005 5.4981 5.4981 5.6536 5.6536 6.0173 6.0173 6.0804 6.0804 6.8219 6.8219 7.1890 7.1890 7.3826 7.3826 7.4796 7.4796 8.1542 8.1542 8.4742 8.4742 8.9715 8.9715 9.0546 9.0546 9.8883 9.8883 9.9012 9.9012 k = 0.0000 0.3484-0.0460 ( 6816 PWs) bands (ev): -41.3121 -41.3121 -41.3121 -41.3121 -20.5546 -20.5546 -20.5544 -20.5544 -18.8468 -18.8468 -18.8458 -18.8458 -18.7521 -18.7521 -18.7512 -18.7512 -6.7202 -6.7202 -6.5739 -6.5739 -4.7442 -4.7442 -4.7240 -4.7240 -4.0953 -4.0953 -3.9632 -3.9632 3.1188 3.1188 3.5081 3.5081 4.1593 4.1593 4.1863 4.1863 4.7859 4.7859 4.8490 4.8490 5.0810 5.0810 5.0920 5.0920 5.5031 5.5031 5.6566 5.6566 6.0167 6.0167 6.0798 6.0798 6.8221 6.8221 7.1907 7.1907 7.3876 7.3876 7.4848 7.4848 8.1544 8.1544 8.4742 8.4742 8.9681 8.9681 9.0512 9.0512 9.8853 9.8853 9.8977 9.8977 k = 0.0000 0.3484-0.0460 ( 6816 PWs) bands (ev): -41.3121 -41.3121 -41.3121 -41.3121 -20.5546 -20.5546 -20.5544 -20.5544 -18.8468 -18.8468 -18.8458 -18.8458 -18.7521 -18.7521 -18.7512 -18.7512 -6.7202 -6.7202 -6.5739 -6.5739 -4.7442 -4.7442 -4.7240 -4.7240 -4.0953 -4.0953 -3.9632 -3.9632 3.1188 3.1188 3.5081 3.5081 4.1593 4.1593 4.1863 4.1863 4.7859 4.7859 4.8490 4.8490 5.0810 5.0810 5.0920 5.0920 5.5031 5.5031 5.6566 5.6566 6.0167 6.0167 6.0798 6.0798 6.8221 6.8221 7.1907 7.1907 7.3876 7.3876 7.4848 7.4848 8.1544 8.1544 8.4742 8.4742 8.9681 8.9681 9.0512 9.0512 9.8853 9.8853 9.8977 9.8977 k = 0.0000 0.3499-0.0349 ( 6821 PWs) bands (ev): -41.3121 -41.3121 -41.3121 -41.3121 -20.5546 -20.5546 -20.5544 -20.5544 -18.8468 -18.8468 -18.8458 -18.8458 -18.7521 -18.7521 -18.7512 -18.7512 -6.7201 -6.7201 -6.5740 -6.5740 -4.7442 -4.7442 -4.7243 -4.7243 -4.0948 -4.0948 -3.9632 -3.9632 3.1166 3.1166 3.5086 3.5086 4.1585 4.1585 4.1863 4.1863 4.7854 4.7854 4.8492 4.8492 5.0684 5.0684 5.1104 5.1104 5.5041 5.5041 5.6563 5.6563 6.0173 6.0173 6.0804 6.0804 6.8177 6.8177 7.1899 7.1899 7.3867 7.3867 7.4841 7.4841 8.1554 8.1554 8.4725 8.4725 8.9690 8.9690 9.0514 9.0514 9.8823 9.8823 9.9012 9.9012 k = 0.0000 0.3514-0.0238 ( 6815 PWs) bands (ev): -41.3121 -41.3121 -41.3121 -41.3121 -20.5546 -20.5546 -20.5544 -20.5544 -18.8469 -18.8469 -18.8458 -18.8458 -18.7521 -18.7521 -18.7512 -18.7512 -6.7198 -6.7198 -6.5743 -6.5743 -4.7442 -4.7442 -4.7255 -4.7255 -4.0932 -4.0932 -3.9631 -3.9631 3.1100 3.1100 3.5096 3.5096 4.1562 4.1562 4.1862 4.1862 4.7841 4.7841 4.8500 4.8500 5.0577 5.0577 5.1381 5.1381 5.5072 5.5072 5.6555 5.6555 6.0189 6.0189 6.0823 6.0823 6.8045 6.8045 7.1877 7.1877 7.3839 7.3839 7.4822 7.4822 8.1582 8.1582 8.4677 8.4677 8.9715 8.9715 9.0519 9.0519 9.8773 9.8773 9.9080 9.9080 k = 0.0000 0.3528-0.0127 ( 6813 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5547 -20.5547 -20.5544 -20.5544 -18.8469 -18.8469 -18.8457 -18.8457 -18.7522 -18.7522 -18.7512 -18.7512 -6.7194 -6.7194 -6.5748 -6.5748 -4.7442 -4.7442 -4.7273 -4.7273 -4.0907 -4.0907 -3.9631 -3.9631 3.0997 3.0997 3.5109 3.5109 4.1530 4.1530 4.1856 4.1856 4.7820 4.7820 4.8511 4.8511 5.0536 5.0536 5.1700 5.1700 5.5122 5.5122 5.6545 5.6545 6.0216 6.0216 6.0853 6.0853 6.7832 6.7832 7.1837 7.1837 7.3795 7.3795 7.4789 7.4789 8.1625 8.1625 8.4601 8.4601 8.9754 8.9754 9.0529 9.0529 9.8728 9.8728 9.9154 9.9154 k = 0.0000 0.3543-0.0017 ( 6810 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5547 -20.5547 -20.5543 -20.5543 -18.8469 -18.8469 -18.8457 -18.8457 -18.7522 -18.7522 -18.7511 -18.7511 -6.7189 -6.7189 -6.5755 -6.5755 -4.7442 -4.7442 -4.7298 -4.7298 -4.0872 -4.0872 -3.9630 -3.9630 3.0864 3.0864 3.5118 3.5118 4.1492 4.1492 4.1844 4.1844 4.7793 4.7793 4.8524 4.8524 5.0563 5.0563 5.2048 5.2048 5.5192 5.5192 5.6536 5.6536 6.0255 6.0255 6.0893 6.0893 6.7544 6.7544 7.1777 7.1777 7.3738 7.3738 7.4741 7.4741 8.1679 8.1679 8.4506 8.4506 8.9801 8.9801 9.0543 9.0543 9.8693 9.8693 9.9228 9.9228 k = 0.0000 0.3557 0.0094 ( 6807 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5548 -20.5548 -20.5543 -20.5543 -18.8469 -18.8469 -18.8457 -18.8457 -18.7522 -18.7522 -18.7511 -18.7511 -6.7182 -6.7182 -6.5763 -6.5763 -4.7442 -4.7442 -4.7329 -4.7329 -4.0830 -4.0830 -3.9629 -3.9629 3.0710 3.0710 3.5116 3.5116 4.1453 4.1453 4.1826 4.1826 4.7761 4.7761 4.8538 4.8538 5.0658 5.0658 5.2410 5.2410 5.5279 5.5279 5.6537 5.6537 6.0305 6.0305 6.0941 6.0941 6.7191 6.7191 7.1694 7.1694 7.3672 7.3672 7.4678 7.4678 8.1738 8.1738 8.4401 8.4401 8.9850 8.9850 9.0564 9.0564 9.8670 9.8670 9.9300 9.9300 k = 0.0000 0.3572 0.0205 ( 6800 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5548 -20.5548 -20.5542 -20.5542 -18.8470 -18.8470 -18.8456 -18.8456 -18.7522 -18.7522 -18.7511 -18.7511 -6.7175 -6.7175 -6.5772 -6.5772 -4.7443 -4.7443 -4.7362 -4.7362 -4.0783 -4.0783 -3.9627 -3.9627 3.0544 3.0544 3.5099 3.5099 4.1415 4.1415 4.1802 4.1802 4.7727 4.7727 4.8552 4.8552 5.0821 5.0821 5.2768 5.2768 5.5381 5.5381 5.6557 5.6557 6.0367 6.0367 6.0995 6.0995 6.6782 6.6782 7.1586 7.1586 7.3600 7.3600 7.4601 7.4601 8.1794 8.1794 8.4297 8.4297 8.9896 8.9896 9.0591 9.0591 9.8660 9.8660 9.9367 9.9367 k = 0.0000 0.3587 0.0316 ( 6799 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5548 -20.5548 -20.5542 -20.5542 -18.8470 -18.8470 -18.8456 -18.8456 -18.7522 -18.7522 -18.7511 -18.7511 -6.7167 -6.7167 -6.5782 -6.5782 -4.7453 -4.7453 -4.7390 -4.7390 -4.0732 -4.0732 -3.9623 -3.9623 3.0374 3.0374 3.5063 3.5063 4.1375 4.1375 4.1776 4.1776 4.7690 4.7690 4.8565 4.8565 5.1045 5.1045 5.3101 5.3101 5.5496 5.5496 5.6610 5.6610 6.0439 6.0439 6.1055 6.1055 6.6330 6.6330 7.1452 7.1452 7.3527 7.3527 7.4507 7.4507 8.1842 8.1842 8.4203 8.4203 8.9937 8.9937 9.0625 9.0625 9.8663 9.8663 9.9428 9.9428 k = 0.0000 0.3601 0.0427 ( 6793 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5549 -20.5549 -20.5542 -20.5542 -18.8471 -18.8471 -18.8455 -18.8455 -18.7523 -18.7523 -18.7510 -18.7510 -6.7159 -6.7159 -6.5793 -6.5793 -4.7482 -4.7482 -4.7400 -4.7400 -4.0680 -4.0680 -3.9617 -3.9617 3.0207 3.0207 3.5008 3.5008 4.1330 4.1330 4.1755 4.1755 4.7653 4.7653 4.8577 4.8577 5.1326 5.1326 5.3388 5.3388 5.5619 5.5619 5.6708 5.6708 6.0521 6.0521 6.1118 6.1118 6.5847 6.5847 7.1290 7.1290 7.3457 7.3457 7.4400 7.4400 8.1875 8.1875 8.4130 8.4130 8.9969 8.9969 9.0663 9.0663 9.8677 9.8677 9.9484 9.9484 k = 0.0000 0.3616 0.0538 ( 6796 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5549 -20.5549 -20.5541 -20.5541 -18.8471 -18.8471 -18.8455 -18.8455 -18.7523 -18.7523 -18.7510 -18.7510 -6.7152 -6.7152 -6.5803 -6.5803 -4.7525 -4.7525 -4.7395 -4.7395 -4.0630 -4.0630 -3.9608 -3.9608 3.0048 3.0048 3.4935 3.4935 4.1277 4.1277 4.1743 4.1743 4.7617 4.7617 4.8587 4.8587 5.1654 5.1654 5.3608 5.3608 5.5751 5.5751 5.6858 5.6858 6.0612 6.0612 6.1184 6.1184 6.5348 6.5348 7.1103 7.1103 7.3393 7.3393 7.4280 7.4280 8.1891 8.1891 8.4082 8.4082 8.9992 8.9992 9.0702 9.0702 9.8700 9.8700 9.9533 9.9533 k = 0.0000 0.3631 0.0649 ( 6799 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5550 -20.5550 -20.5541 -20.5541 -18.8472 -18.8472 -18.8454 -18.8454 -18.7523 -18.7523 -18.7510 -18.7510 -6.7147 -6.7147 -6.5813 -6.5813 -4.7574 -4.7574 -4.7383 -4.7383 -4.0585 -4.0585 -3.9594 -3.9594 2.9904 2.9904 3.4846 3.4846 4.1211 4.1211 4.1745 4.1745 4.7582 4.7582 4.8596 4.8596 5.2020 5.2020 5.3751 5.3751 5.5898 5.5898 5.7049 5.7049 6.0709 6.0709 6.1253 6.1253 6.4851 6.4851 7.0890 7.0890 7.3338 7.3338 7.4149 7.4149 8.1892 8.1892 8.4061 8.4061 9.0007 9.0007 9.0741 9.0741 9.8730 9.8730 9.9578 9.9578 k = 0.0000 0.3645 0.0760 ( 6794 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5550 -20.5550 -20.5540 -20.5540 -18.8473 -18.8473 -18.8454 -18.8454 -18.7524 -18.7524 -18.7509 -18.7509 -6.7143 -6.7143 -6.5821 -6.5821 -4.7625 -4.7625 -4.7367 -4.7367 -4.0547 -4.0547 -3.9573 -3.9573 2.9778 2.9778 3.4744 3.4744 4.1134 4.1134 4.1762 4.1762 4.7550 4.7550 4.8602 4.8602 5.2410 5.2410 5.3819 5.3819 5.6066 5.6066 5.7253 5.7253 6.0809 6.0809 6.1327 6.1327 6.4379 6.4379 7.0655 7.0655 7.3295 7.3295 7.4011 7.4011 8.1882 8.1882 8.4064 8.4064 9.0016 9.0016 9.0776 9.0776 9.8765 9.8765 9.9618 9.9618 k = 0.0000 0.3660 0.0870 ( 6792 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5551 -20.5551 -20.5540 -20.5540 -18.8473 -18.8473 -18.8453 -18.8453 -18.7524 -18.7524 -18.7509 -18.7509 -6.7141 -6.7141 -6.5828 -6.5828 -4.7677 -4.7677 -4.7345 -4.7345 -4.0520 -4.0520 -3.9546 -3.9546 2.9674 2.9674 3.4632 3.4632 4.1046 4.1046 4.1791 4.1791 4.7520 4.7520 4.8607 4.8607 5.2806 5.2806 5.3824 5.3824 5.6259 5.6259 5.7432 5.7432 6.0902 6.0902 6.1405 6.1405 6.3963 6.3963 7.0403 7.0403 7.3264 7.3264 7.3870 7.3870 8.1868 8.1868 8.4087 8.4087 9.0020 9.0020 9.0805 9.0805 9.8802 9.8802 9.9655 9.9655 k = 0.0000 0.3675 0.0981 ( 6793 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5551 -20.5551 -20.5539 -20.5539 -18.8474 -18.8474 -18.8452 -18.8452 -18.7524 -18.7524 -18.7508 -18.7508 -6.7143 -6.7143 -6.5833 -6.5833 -4.7729 -4.7729 -4.7318 -4.7318 -4.0505 -4.0505 -3.9511 -3.9511 2.9595 2.9595 3.4515 3.4515 4.0951 4.0951 4.1829 4.1829 4.7494 4.7494 4.8611 4.8611 5.3175 5.3175 5.3801 5.3801 5.6478 5.6478 5.7547 5.7547 6.0975 6.0975 6.1490 6.1490 6.3643 6.3643 7.0141 7.0141 7.3244 7.3244 7.3735 7.3735 8.1858 8.1858 8.4124 8.4124 9.0019 9.0019 9.0827 9.0827 9.8839 9.8839 9.9689 9.9689 k = 0.0000 0.3689 0.1092 ( 6799 PWs) bands (ev): -41.3121 -41.3121 -41.3120 -41.3120 -20.5551 -20.5551 -20.5539 -20.5539 -18.8474 -18.8474 -18.8452 -18.8452 -18.7525 -18.7525 -18.7508 -18.7508 -6.7147 -6.7147 -6.5835 -6.5835 -4.7779 -4.7779 -4.7287 -4.7287 -4.0502 -4.0502 -3.9469 -3.9469 2.9542 2.9542 3.4395 3.4395 4.0853 4.0853 4.1875 4.1875 4.7472 4.7472 4.8613 4.8613 5.3406 5.3406 5.3856 5.3856 5.6712 5.6712 5.7573 5.7573 6.1007 6.1007 6.1583 6.1583 6.3457 6.3457 6.9878 6.9878 7.3226 7.3226 7.3619 7.3619 8.1859 8.1859 8.4167 8.4167 9.0014 9.0014 9.0840 9.0840 9.8874 9.8874 9.9721 9.9721 k = 0.5000 0.3279 0.2012 ( 6804 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5858 -20.5858 -18.9070 -18.9070 -18.9069 -18.9069 -18.7619 -18.7619 -18.7619 -18.7619 -6.3479 -6.3479 -6.3478 -6.3478 -4.2843 -4.2843 -4.2835 -4.2835 -3.9349 -3.9349 -3.9346 -3.9346 2.6877 2.6877 2.6897 2.6897 3.9493 3.9493 3.9521 3.9521 4.1933 4.1933 4.1959 4.1959 4.7275 4.7275 4.7424 4.7424 5.0337 5.0337 5.0426 5.0426 5.6817 5.6817 5.7312 5.7312 6.1218 6.1218 6.1646 6.1646 6.3881 6.3881 6.4155 6.4155 8.4270 8.4270 8.4364 8.4364 10.2890 10.2890 10.3103 10.3103 10.5703 10.5703 10.5732 10.5732 k = 0.5000 0.3162 0.2012 ( 6806 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5858 -20.5858 -18.9070 -18.9070 -18.9069 -18.9069 -18.7619 -18.7619 -18.7618 -18.7618 -6.3522 -6.3522 -6.3520 -6.3520 -4.2861 -4.2861 -4.2849 -4.2849 -3.9244 -3.9244 -3.9238 -3.9238 2.6894 2.6894 2.6926 2.6926 3.9393 3.9393 3.9457 3.9457 4.2045 4.2045 4.2122 4.2122 4.7019 4.7019 4.7175 4.7175 5.0017 5.0017 5.0022 5.0022 5.6838 5.6838 5.7442 5.7442 6.1175 6.1175 6.1777 6.1777 6.3881 6.3881 6.4280 6.4280 8.4796 8.4796 8.4936 8.4936 10.2688 10.2688 10.3009 10.3009 10.5693 10.5693 10.5740 10.5740 k = 0.5000 0.3045 0.2012 ( 6800 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5858 -20.5858 -18.9070 -18.9070 -18.9068 -18.9068 -18.7619 -18.7619 -18.7618 -18.7618 -6.3584 -6.3584 -6.3581 -6.3581 -4.2886 -4.2886 -4.2870 -4.2870 -3.9093 -3.9093 -3.9085 -3.9085 2.6930 2.6930 2.6972 2.6972 3.9210 3.9210 3.9309 3.9309 4.2236 4.2236 4.2370 4.2370 4.6660 4.6660 4.6827 4.6827 4.9537 4.9537 4.9593 4.9593 5.6879 5.6879 5.7584 5.7584 6.1130 6.1130 6.1892 6.1892 6.3927 6.3927 6.4432 6.4432 8.5545 8.5545 8.5724 8.5724 10.2462 10.2462 10.2876 10.2876 10.5686 10.5686 10.5747 10.5747 k = 0.5000 0.2928 0.2012 ( 6792 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5857 -20.5857 -18.9070 -18.9070 -18.9068 -18.9068 -18.7618 -18.7618 -18.7617 -18.7617 -6.3662 -6.3662 -6.3658 -6.3658 -4.2918 -4.2918 -4.2898 -4.2898 -3.8898 -3.8898 -3.8887 -3.8887 2.6981 2.6981 2.7034 2.7034 3.8974 3.8974 3.9105 3.9105 4.2460 4.2460 4.2660 4.2660 4.6181 4.6181 4.6359 4.6359 4.9050 4.9050 4.9137 4.9137 5.6929 5.6929 5.7729 5.7729 6.1083 6.1083 6.1993 6.1993 6.4007 6.4007 6.4599 6.4599 8.6493 8.6493 8.6704 8.6704 10.2219 10.2219 10.2713 10.2713 10.5681 10.5681 10.5753 10.5753 k = 0.5000 0.2811 0.2012 ( 6794 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5857 -20.5857 -18.9070 -18.9070 -18.9068 -18.9068 -18.7617 -18.7617 -18.7616 -18.7616 -6.3755 -6.3755 -6.3751 -6.3751 -4.2956 -4.2956 -4.2933 -4.2933 -3.8661 -3.8661 -3.8648 -3.8648 2.7047 2.7047 2.7109 2.7109 3.8702 3.8702 3.8867 3.8867 4.2661 4.2661 4.2948 4.2948 4.5592 4.5592 4.5772 4.5772 4.8623 4.8623 4.8718 4.8718 5.6979 5.6979 5.7862 5.7862 6.1044 6.1044 6.2083 6.2083 6.4107 6.4107 6.4766 6.4766 8.7613 8.7613 8.7849 8.7849 10.1968 10.1968 10.2528 10.2528 10.5678 10.5678 10.5757 10.5757 k = 0.5000 0.2694 0.2012 ( 6800 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5856 -20.5856 -18.9071 -18.9071 -18.9068 -18.9068 -18.7616 -18.7616 -18.7615 -18.7615 -6.3862 -6.3862 -6.3857 -6.3857 -4.2999 -4.2999 -4.2973 -4.2973 -3.8385 -3.8385 -3.8370 -3.8370 2.7125 2.7125 2.7197 2.7197 3.8401 3.8401 3.8602 3.8602 4.2744 4.2744 4.3156 4.3156 4.4982 4.4982 4.5136 4.5136 4.8291 4.8291 4.8374 4.8374 5.7021 5.7021 5.7971 5.7971 6.1023 6.1023 6.2171 6.2171 6.4210 6.4210 6.4921 6.4921 8.8877 8.8877 8.9132 8.9132 10.1718 10.1718 10.2331 10.2331 10.5676 10.5676 10.5761 10.5761 k = 0.5000 0.2577 0.2012 ( 6798 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5856 -20.5856 -18.9071 -18.9071 -18.9068 -18.9068 -18.7615 -18.7615 -18.7613 -18.7613 -6.3981 -6.3981 -6.3976 -6.3976 -4.3048 -4.3048 -4.3018 -4.3018 -3.8072 -3.8072 -3.8057 -3.8057 2.7215 2.7215 2.7295 2.7295 3.8068 3.8068 3.8307 3.8307 4.2536 4.2536 4.3074 4.3074 4.4555 4.4555 4.4688 4.4688 4.8058 4.8058 4.8113 4.8113 5.7047 5.7047 5.8040 5.8040 6.1035 6.1035 6.2266 6.2266 6.4304 6.4304 6.5052 6.5052 9.0257 9.0257 9.0526 9.0526 10.1481 10.1481 10.2133 10.2133 10.5676 10.5676 10.5764 10.5764 k = 0.5000 0.2460 0.2012 ( 6800 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5856 -20.5856 -18.9071 -18.9071 -18.9068 -18.9068 -18.7614 -18.7614 -18.7612 -18.7612 -6.4109 -6.4109 -6.4104 -6.4104 -4.3100 -4.3100 -4.3068 -4.3068 -3.7727 -3.7727 -3.7710 -3.7710 2.7313 2.7313 2.7400 2.7400 3.7689 3.7689 3.7968 3.7968 4.1952 4.1952 4.2520 4.2520 4.4440 4.4440 4.4655 4.4655 4.7917 4.7917 4.7934 4.7934 5.7051 5.7051 5.8058 5.8058 6.1093 6.1093 6.2378 6.2378 6.4379 6.4379 6.5149 6.5149 9.1724 9.1724 9.2006 9.2006 10.1266 10.1266 10.1949 10.1949 10.5677 10.5677 10.5766 10.5766 k = 0.5000 0.2342 0.2012 ( 6796 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5855 -20.5855 -18.9071 -18.9071 -18.9067 -18.9067 -18.7612 -18.7612 -18.7610 -18.7610 -6.4246 -6.4246 -6.4240 -6.4240 -4.3157 -4.3157 -4.3123 -4.3123 -3.7353 -3.7353 -3.7334 -3.7334 2.7416 2.7416 2.7511 2.7511 3.7241 3.7241 3.7551 3.7551 4.1190 4.1190 4.1743 4.1743 4.4499 4.4499 4.4837 4.4837 4.7835 4.7835 4.7865 4.7865 5.7030 5.7030 5.8020 5.8020 6.1198 6.1198 6.2512 6.2512 6.4428 6.4428 6.5205 6.5205 9.3250 9.3250 9.3542 9.3542 10.1088 10.1088 10.1791 10.1791 10.5678 10.5678 10.5767 10.5767 k = 0.5000 0.2225 0.2012 ( 6794 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5859 -20.5859 -20.5855 -20.5855 -18.9071 -18.9071 -18.9067 -18.9067 -18.7611 -18.7611 -18.7609 -18.7609 -6.4389 -6.4389 -6.4383 -6.4383 -4.3217 -4.3217 -4.3181 -4.3181 -3.6953 -3.6953 -3.6933 -3.6933 2.7523 2.7523 2.7623 2.7623 3.6691 3.6691 3.7009 3.7009 4.0449 4.0449 4.0969 4.0969 4.4599 4.4599 4.5055 4.5055 4.7819 4.7819 4.7899 4.7899 5.6985 5.6985 5.7932 5.7932 6.1344 6.1344 6.2667 6.2667 6.4448 6.4448 6.5215 6.5215 9.4801 9.4801 9.5106 9.5106 10.0963 10.0963 10.1676 10.1676 10.5681 10.5681 10.5768 10.5768 k = 0.5000 0.2108 0.2012 ( 6796 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5858 -20.5858 -20.5854 -20.5854 -18.9071 -18.9071 -18.9067 -18.9067 -18.7609 -18.7609 -18.7607 -18.7607 -6.4536 -6.4536 -6.4530 -6.4530 -4.3279 -4.3279 -4.3241 -4.3241 -3.6531 -3.6531 -3.6510 -3.6510 2.7629 2.7629 2.7736 2.7736 3.6011 3.6011 3.6303 3.6303 3.9842 3.9842 4.0298 4.0298 4.4690 4.4690 4.5249 4.5249 4.7889 4.7889 4.8010 4.8010 5.6916 5.6916 5.7802 5.7802 6.1515 6.1515 6.2844 6.2844 6.4441 6.4441 6.5177 6.5177 9.6336 9.6336 9.6654 9.6654 10.0916 10.0916 10.1631 10.1631 10.5684 10.5684 10.5770 10.5770 k = 0.5000 0.1991 0.2012 ( 6794 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5858 -20.5858 -20.5854 -20.5854 -18.9071 -18.9071 -18.9067 -18.9067 -18.7607 -18.7607 -18.7605 -18.7605 -6.4685 -6.4685 -6.4679 -6.4679 -4.3343 -4.3343 -4.3304 -4.3304 -3.6092 -3.6092 -3.6070 -3.6070 2.7734 2.7734 2.7845 2.7845 3.5197 3.5197 3.5438 3.5438 3.9398 3.9398 3.9766 3.9766 4.4764 4.4764 4.5404 4.5404 4.8041 4.8041 4.8185 4.8185 5.6827 5.6827 5.7641 5.7641 6.1690 6.1690 6.3034 6.3034 6.4416 6.4416 6.5093 6.5093 9.7776 9.7776 9.8118 9.8118 10.1004 10.1004 10.1705 10.1705 10.5688 10.5688 10.5772 10.5772 k = 0.5000 0.1874 0.2012 ( 6794 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5857 -20.5857 -20.5853 -20.5853 -18.9072 -18.9072 -18.9067 -18.9067 -18.7606 -18.7606 -18.7603 -18.7603 -6.4834 -6.4834 -6.4828 -6.4828 -4.3408 -4.3408 -4.3369 -4.3369 -3.5640 -3.5640 -3.5617 -3.5617 2.7833 2.7833 2.7949 2.7949 3.4274 3.4274 3.4459 3.4459 3.9090 3.9090 3.9368 3.9368 4.4826 4.4826 4.5526 4.5526 4.8262 4.8262 4.8408 4.8408 5.6723 5.6723 5.7460 5.7460 6.1844 6.1844 6.3226 6.3226 6.4387 6.4387 6.4971 6.4971 9.8957 9.8957 9.9354 9.9354 10.1369 10.1369 10.2020 10.2020 10.5695 10.5695 10.5777 10.5777 k = 0.5000 0.1757 0.2012 ( 6794 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5857 -20.5857 -20.5853 -20.5853 -18.9072 -18.9072 -18.9067 -18.9067 -18.7604 -18.7604 -18.7601 -18.7601 -6.4982 -6.4982 -6.4976 -6.4976 -4.3473 -4.3473 -4.3434 -4.3434 -3.5178 -3.5178 -3.5156 -3.5156 2.7923 2.7923 2.8045 2.8045 3.3283 3.3283 3.3423 3.3423 3.8879 3.8879 3.9077 3.9077 4.4887 4.4887 4.5628 4.5628 4.8530 4.8530 4.8663 4.8663 5.6607 5.6607 5.7267 5.7267 6.1945 6.1945 6.3395 6.3395 6.4378 6.4378 6.4831 6.4831 9.9670 9.9670 10.0156 10.0156 10.2190 10.2190 10.2752 10.2752 10.5708 10.5708 10.5788 10.5788 k = 0.5000 0.1640 0.2012 ( 6788 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5857 -20.5857 -20.5852 -20.5852 -18.9072 -18.9072 -18.9067 -18.9067 -18.7602 -18.7602 -18.7600 -18.7600 -6.5127 -6.5127 -6.5122 -6.5122 -4.3538 -4.3538 -4.3499 -4.3499 -3.4713 -3.4713 -3.4690 -3.4690 2.8001 2.8001 2.8129 2.8129 3.2262 3.2262 3.2371 3.2371 3.8731 3.8731 3.8863 3.8863 4.4960 4.4960 4.5727 4.5727 4.8826 4.8826 4.8932 4.8932 5.6486 5.6486 5.7068 5.7068 6.1966 6.1966 6.3494 6.3494 6.4411 6.4411 6.4721 6.4721 10.0026 10.0026 10.0562 10.0562 10.3319 10.3319 10.3822 10.3822 10.5738 10.5738 10.5812 10.5812 k = 0.5000 0.1523 0.2012 ( 6786 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5856 -20.5856 -20.5852 -20.5852 -18.9072 -18.9072 -18.9068 -18.9068 -18.7600 -18.7600 -18.7598 -18.7598 -6.5268 -6.5268 -6.5263 -6.5263 -4.3602 -4.3602 -4.3564 -4.3564 -3.4248 -3.4248 -3.4225 -3.4225 2.8060 2.8060 2.8199 2.8199 3.1245 3.1245 3.1338 3.1338 3.8627 3.8627 3.8706 3.8706 4.5055 4.5055 4.5837 4.5837 4.9133 4.9133 4.9205 4.9205 5.6362 5.6362 5.6869 5.6869 6.1890 6.1890 6.3452 6.3452 6.4504 6.4504 6.4708 6.4708 10.0257 10.0257 10.0799 10.0799 10.4460 10.4460 10.4908 10.4908 10.5848 10.5848 10.5885 10.5885 k = 0.5000 0.1405 0.2012 ( 6790 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5856 -20.5856 -20.5852 -20.5852 -18.9072 -18.9072 -18.9068 -18.9068 -18.7599 -18.7599 -18.7596 -18.7596 -6.5404 -6.5404 -6.5399 -6.5399 -4.3664 -4.3664 -4.3627 -4.3627 -3.3788 -3.3788 -3.3765 -3.3765 2.8087 2.8087 2.8244 2.8244 3.0261 3.0261 3.0355 3.0355 3.8553 3.8553 3.8589 3.8589 4.5178 4.5178 4.5966 4.5966 4.9439 4.9439 4.9470 4.9470 5.6241 5.6241 5.6673 5.6673 6.1718 6.1718 6.3248 6.3248 6.4655 6.4655 6.4815 6.4815 10.0462 10.0462 10.0987 10.0987 10.5298 10.5298 10.5482 10.5482 10.6194 10.6194 10.6415 10.6415 k = 0.5000 0.1288 0.2012 ( 6782 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5855 -20.5855 -20.5851 -20.5851 -18.9072 -18.9072 -18.9068 -18.9068 -18.7597 -18.7597 -18.7595 -18.7595 -6.5533 -6.5533 -6.5528 -6.5528 -4.3723 -4.3723 -4.3688 -4.3688 -3.3339 -3.3339 -3.3317 -3.3317 2.8036 2.8036 2.8229 2.8229 2.9363 2.9363 2.9482 2.9482 3.8498 3.8498 3.8502 3.8502 4.5336 4.5336 4.6119 4.6119 4.9719 4.9719 4.9732 4.9732 5.6126 5.6126 5.6484 5.6484 6.1470 6.1470 6.2930 6.2930 6.4848 6.4848 6.4997 6.4997 10.0669 10.0669 10.1167 10.1167 10.5561 10.5561 10.5588 10.5588 10.6960 10.6960 10.7330 10.7330 k = 0.5000 0.1171 0.2012 ( 6782 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5855 -20.5855 -20.5851 -20.5851 -18.9071 -18.9071 -18.9068 -18.9068 -18.7595 -18.7595 -18.7593 -18.7593 -6.5654 -6.5654 -6.5649 -6.5649 -4.3780 -4.3780 -4.3746 -4.3746 -3.2905 -3.2905 -3.2883 -3.2883 2.7758 2.7758 2.7953 2.7953 2.8762 2.8762 2.8880 2.8880 3.8436 3.8436 3.8457 3.8457 4.5529 4.5529 4.6300 4.6300 4.9946 4.9946 5.0003 5.0003 5.6019 5.6019 5.6304 5.6304 6.1168 6.1168 6.2545 6.2545 6.5065 6.5065 6.5210 6.5210 10.0887 10.0887 10.1348 10.1348 10.5622 10.5622 10.5627 10.5627 10.7789 10.7789 10.8175 10.8175 k = 0.5000 0.1054 0.2012 ( 6784 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5854 -20.5854 -20.5851 -20.5851 -18.9071 -18.9071 -18.9068 -18.9068 -18.7594 -18.7594 -18.7592 -18.7592 -6.5766 -6.5766 -6.5761 -6.5761 -4.3832 -4.3832 -4.3801 -4.3801 -3.2491 -3.2491 -3.2471 -3.2471 2.7153 2.7153 2.7272 2.7272 2.8617 2.8617 2.8657 2.8657 3.8387 3.8387 3.8424 3.8424 4.5759 4.5759 4.6508 4.6508 5.0144 5.0144 5.0244 5.0244 5.5923 5.5923 5.6137 5.6137 6.0833 6.0833 6.2121 6.2121 6.5292 6.5292 6.5430 6.5430 10.1111 10.1111 10.1533 10.1533 10.5643 10.5643 10.5655 10.5655 10.8519 10.8519 10.8891 10.8891 k = 0.5000 0.0937 0.2012 ( 6786 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5854 -20.5854 -20.5850 -20.5850 -18.9071 -18.9071 -18.9068 -18.9068 -18.7592 -18.7592 -18.7590 -18.7590 -6.5868 -6.5868 -6.5864 -6.5864 -4.3881 -4.3881 -4.3852 -4.3852 -3.2103 -3.2103 -3.2085 -3.2085 2.6440 2.6440 2.6519 2.6519 2.8602 2.8602 2.8605 2.8605 3.8349 3.8349 3.8397 3.8397 4.6023 4.6023 4.6739 4.6739 5.0309 5.0309 5.0449 5.0449 5.5839 5.5839 5.5986 5.5986 6.0485 6.0485 6.1677 6.1677 6.5518 6.5518 6.5646 6.5646 10.1338 10.1338 10.1715 10.1715 10.5660 10.5660 10.5673 10.5673 10.9135 10.9135 10.9478 10.9478 k = 0.5000 0.0820 0.2012 ( 6776 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5853 -20.5853 -20.5850 -20.5850 -18.9071 -18.9071 -18.9068 -18.9068 -18.7591 -18.7591 -18.7589 -18.7589 -6.5960 -6.5960 -6.5957 -6.5957 -4.3925 -4.3925 -4.3899 -4.3899 -3.1746 -3.1746 -3.1729 -3.1729 2.5752 2.5752 2.5811 2.5811 2.8597 2.8597 2.8610 2.8610 3.8320 3.8320 3.8373 3.8373 4.6317 4.6317 4.6990 4.6990 5.0438 5.0438 5.0609 5.0609 5.5769 5.5769 5.5853 5.5853 6.0140 6.0140 6.1227 6.1227 6.5733 6.5733 6.5848 6.5848 10.1560 10.1560 10.1890 10.1890 10.5678 10.5678 10.5689 10.5689 10.9644 10.9644 10.9951 10.9951 k = 0.5000 0.0703 0.2012 ( 6768 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5853 -20.5853 -20.5850 -20.5850 -18.9071 -18.9071 -18.9069 -18.9069 -18.7589 -18.7589 -18.7588 -18.7588 -6.6041 -6.6041 -6.6038 -6.6038 -4.3963 -4.3963 -4.3941 -4.3941 -3.1425 -3.1425 -3.1410 -3.1410 2.5128 2.5128 2.5175 2.5175 2.8602 2.8602 2.8621 2.8621 3.8298 3.8298 3.8351 3.8351 4.6633 4.6633 4.7251 4.7251 5.0529 5.0529 5.0719 5.0719 5.5713 5.5713 5.5742 5.5742 5.9816 5.9816 6.0785 6.0785 6.5932 6.5932 6.6032 6.6032 10.1770 10.1770 10.2052 10.2052 10.5697 10.5697 10.5704 10.5704 11.0060 11.0060 11.0327 11.0327 k = 0.5000 0.0586 0.2012 ( 6766 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5852 -20.5852 -20.5850 -20.5850 -18.9071 -18.9071 -18.9069 -18.9069 -18.7588 -18.7588 -18.7587 -18.7587 -6.6110 -6.6110 -6.6108 -6.6108 -4.3996 -4.3996 -4.3977 -4.3977 -3.1144 -3.1144 -3.1131 -3.1131 2.4585 2.4585 2.4622 2.4622 2.8611 2.8611 2.8630 2.8630 3.8282 3.8282 3.8331 3.8331 4.6963 4.6963 4.7513 4.7513 5.0583 5.0583 5.0777 5.0777 5.5655 5.5655 5.5668 5.5668 5.9526 5.9526 6.0364 6.0364 6.6109 6.6109 6.6194 6.6194 10.1961 10.1961 10.2195 10.2195 10.5716 10.5716 10.5721 10.5721 11.0395 11.0395 11.0620 11.0620 k = 0.5000 0.0468 0.2012 ( 6766 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5852 -20.5852 -20.5850 -20.5850 -18.9071 -18.9071 -18.9069 -18.9069 -18.7587 -18.7587 -18.7586 -18.7586 -6.6168 -6.6168 -6.6166 -6.6166 -4.4023 -4.4023 -4.4008 -4.4008 -3.0907 -3.0907 -3.0896 -3.0896 2.4132 2.4132 2.4161 2.4161 2.8620 2.8620 2.8637 2.8637 3.8270 3.8270 3.8313 3.8313 4.7293 4.7293 4.7762 4.7762 5.0603 5.0603 5.0782 5.0782 5.5595 5.5595 5.5634 5.5634 5.9284 5.9284 5.9977 5.9977 6.6260 6.6260 6.6328 6.6328 10.2127 10.2127 10.2313 10.2313 10.5736 10.5736 10.5737 10.5737 11.0660 11.0660 11.0841 11.0841 k = 0.5000 0.0351 0.2012 ( 6760 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5852 -20.5852 -20.5850 -20.5850 -18.9070 -18.9070 -18.9069 -18.9069 -18.7587 -18.7587 -18.7586 -18.7586 -6.6213 -6.6213 -6.6211 -6.6211 -4.4044 -4.4044 -4.4032 -4.4032 -3.0719 -3.0719 -3.0710 -3.0710 2.3774 2.3774 2.3796 2.3796 2.8627 2.8627 2.8641 2.8641 3.8263 3.8263 3.8297 3.8297 4.7607 4.7607 4.7981 4.7981 5.0598 5.0598 5.0745 5.0745 5.5559 5.5559 5.5608 5.5608 5.9103 5.9103 5.9637 5.9637 6.6383 6.6383 6.6434 6.6434 10.2266 10.2266 10.2404 10.2404 10.5753 10.5753 10.5753 10.5753 11.0863 11.0863 11.0999 11.0999 k = 0.5000 0.0234 0.2012 ( 6756 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5850 -20.5850 -18.9070 -18.9070 -18.9069 -18.9069 -18.7586 -18.7586 -18.7586 -18.7586 -6.6245 -6.6245 -6.6244 -6.6244 -4.4059 -4.4059 -4.4051 -4.4051 -3.0581 -3.0581 -3.0576 -3.0576 2.3517 2.3517 2.3531 2.3531 2.8634 2.8634 2.8643 2.8643 3.8260 3.8260 3.8284 3.8284 4.7883 4.7883 4.8145 4.8145 5.0579 5.0579 5.0683 5.0683 5.5544 5.5544 5.5587 5.5587 5.8993 5.8993 5.9356 5.9356 6.6475 6.6475 6.6509 6.6509 10.2372 10.2372 10.2464 10.2464 10.5766 10.5766 10.5767 10.5767 11.1010 11.1010 11.1101 11.1101 k = 0.5000 0.0117 0.2012 ( 6754 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5850 -20.5850 -18.9070 -18.9070 -18.9070 -18.9070 -18.7586 -18.7586 -18.7585 -18.7585 -6.6264 -6.6264 -6.6264 -6.6264 -4.4067 -4.4067 -4.4063 -4.4063 -3.0497 -3.0497 -3.0495 -3.0495 2.3362 2.3362 2.3369 2.3369 2.8638 2.8638 2.8643 2.8643 3.8261 3.8261 3.8273 3.8273 4.8094 4.8094 4.8230 4.8230 5.0566 5.0566 5.0618 5.0618 5.5544 5.5544 5.5569 5.5569 5.8961 5.8961 5.9145 5.9145 6.6534 6.6534 6.6551 6.6551 10.2446 10.2446 10.2491 10.2491 10.5775 10.5775 10.5775 10.5775 11.1106 11.1106 11.1152 11.1152 k = 0.5000-0.0000 0.2012 ( 6752 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4068 -4.4068 -4.4068 -4.4068 -3.0468 -3.0468 -3.0468 -3.0468 2.3313 2.3313 2.3313 2.3313 2.8642 2.8642 2.8642 2.8642 3.8265 3.8265 3.8265 3.8265 4.8215 4.8215 4.8215 4.8215 5.0576 5.0576 5.0576 5.0576 5.5554 5.5554 5.5554 5.5554 5.9011 5.9011 5.9011 5.9011 6.6560 6.6560 6.6560 6.6560 10.2486 10.2486 10.2486 10.2486 10.5778 10.5778 10.5778 10.5778 11.1153 11.1153 11.1153 11.1153 k = 0.5000-0.0000 0.2012 ( 6752 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4068 -4.4068 -4.4068 -4.4068 -3.0468 -3.0468 -3.0468 -3.0468 2.3313 2.3313 2.3313 2.3313 2.8642 2.8642 2.8642 2.8642 3.8265 3.8265 3.8265 3.8265 4.8215 4.8215 4.8215 4.8215 5.0576 5.0576 5.0576 5.0576 5.5554 5.5554 5.5554 5.5554 5.9011 5.9011 5.9011 5.9011 6.6560 6.6560 6.6560 6.6560 10.2486 10.2486 10.2486 10.2486 10.5778 10.5778 10.5778 10.5778 11.1153 11.1153 11.1153 11.1153 k = 0.5000-0.0000 0.1894 ( 6752 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4068 -4.4068 -4.4068 -4.4068 -3.0468 -3.0468 -3.0468 -3.0468 2.3313 2.3313 2.3314 2.3314 2.8644 2.8644 2.8644 2.8644 3.8265 3.8265 3.8266 3.8266 4.8214 4.8214 4.8214 4.8214 5.0555 5.0555 5.0563 5.0563 5.5540 5.5540 5.5566 5.5566 5.9030 5.9030 5.9033 5.9033 6.6549 6.6549 6.6569 6.6569 10.2478 10.2478 10.2491 10.2491 10.5775 10.5775 10.5781 10.5781 11.1144 11.1144 11.1162 11.1162 k = 0.5000-0.0000 0.1775 ( 6760 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4068 -4.4068 -4.4068 -4.4068 -3.0468 -3.0468 -3.0468 -3.0468 2.3313 2.3313 2.3314 2.3314 2.8650 2.8650 2.8650 2.8650 3.8267 3.8267 3.8267 3.8267 4.8213 4.8213 4.8213 4.8213 5.0501 5.0501 5.0516 5.0516 5.5524 5.5524 5.5573 5.5573 5.9087 5.9087 5.9092 5.9092 6.6537 6.6537 6.6576 6.6576 10.2468 10.2468 10.2493 10.2493 10.5770 10.5770 10.5783 10.5783 11.1137 11.1137 11.1171 11.1171 k = 0.5000-0.0000 0.1657 ( 6768 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4068 -4.4068 -4.4068 -4.4068 -3.0468 -3.0468 -3.0468 -3.0468 2.3313 2.3313 2.3315 2.3315 2.8660 2.8660 2.8660 2.8660 3.8269 3.8269 3.8269 3.8269 4.8211 4.8211 4.8212 4.8212 5.0419 5.0419 5.0437 5.0437 5.5507 5.5507 5.5576 5.5576 5.9180 5.9180 5.9186 5.9186 6.6525 6.6525 6.6581 6.6581 10.2455 10.2455 10.2492 10.2492 10.5765 10.5765 10.5784 10.5784 11.1131 11.1131 11.1180 11.1180 k = 0.5000-0.0000 0.1539 ( 6766 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4069 -4.4069 -4.4069 -4.4069 -3.0468 -3.0468 -3.0468 -3.0468 2.3314 2.3314 2.3316 2.3316 2.8674 2.8674 2.8674 2.8674 3.8272 3.8272 3.8272 3.8272 4.8207 4.8207 4.8210 4.8210 5.0312 5.0312 5.0331 5.0331 5.5492 5.5492 5.5575 5.5575 5.9304 5.9304 5.9309 5.9309 6.6511 6.6511 6.6584 6.6584 10.2441 10.2441 10.2488 10.2488 10.5759 10.5759 10.5783 10.5783 11.1127 11.1127 11.1191 11.1191 k = 0.5000-0.0000 0.1420 ( 6762 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4069 -4.4069 -4.4069 -4.4069 -3.0468 -3.0468 -3.0468 -3.0468 2.3315 2.3315 2.3317 2.3317 2.8691 2.8691 2.8691 2.8691 3.8276 3.8276 3.8276 3.8276 4.8201 4.8201 4.8208 4.8208 5.0186 5.0186 5.0202 5.0202 5.5478 5.5478 5.5570 5.5570 5.9453 5.9453 5.9455 5.9455 6.6498 6.6498 6.6584 6.6584 10.2424 10.2424 10.2480 10.2480 10.5754 10.5754 10.5782 10.5782 11.1128 11.1128 11.1203 11.1203 k = 0.5000-0.0000 0.1302 ( 6764 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4069 -4.4069 -4.4069 -4.4069 -3.0468 -3.0468 -3.0468 -3.0468 2.3316 2.3316 2.3319 2.3319 2.8710 2.8710 2.8711 2.8711 3.8280 3.8280 3.8280 3.8280 4.8193 4.8193 4.8206 4.8206 5.0048 5.0048 5.0057 5.0057 5.5466 5.5466 5.5562 5.5562 5.9618 5.9618 5.9619 5.9619 6.6486 6.6486 6.6583 6.6583 10.2406 10.2406 10.2468 10.2468 10.5748 10.5748 10.5779 10.5779 11.1135 11.1135 11.1219 11.1219 k = 0.5000-0.0000 0.1184 ( 6762 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4069 -4.4069 -4.4069 -4.4069 -3.0468 -3.0468 -3.0468 -3.0468 2.3317 2.3317 2.3320 2.3320 2.8732 2.8732 2.8733 2.8733 3.8285 3.8285 3.8285 3.8285 4.8182 4.8182 4.8202 4.8202 4.9903 4.9903 4.9904 4.9904 5.5455 5.5455 5.5552 5.5552 5.9790 5.9790 5.9796 5.9796 6.6474 6.6474 6.6579 6.6579 10.2386 10.2386 10.2452 10.2452 10.5742 10.5742 10.5776 10.5776 11.1147 11.1147 11.1237 11.1237 k = 0.5000-0.0000 0.1065 ( 6768 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4070 -4.4070 -4.4070 -4.4070 -3.0468 -3.0468 -3.0468 -3.0468 2.3318 2.3318 2.3321 2.3321 2.8755 2.8755 2.8755 2.8755 3.8290 3.8290 3.8290 3.8290 4.8168 4.8168 4.8197 4.8197 4.9747 4.9747 4.9759 4.9759 5.5447 5.5447 5.5540 5.5540 5.9967 5.9967 5.9976 5.9976 6.6464 6.6464 6.6572 6.6572 10.2365 10.2365 10.2433 10.2433 10.5737 10.5737 10.5771 10.5771 11.1166 11.1166 11.1259 11.1259 k = 0.5000-0.0000 0.0947 ( 6764 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4070 -4.4070 -4.4070 -4.4070 -3.0468 -3.0468 -3.0468 -3.0468 2.3319 2.3319 2.3323 2.3323 2.8778 2.8778 2.8779 2.8779 3.8295 3.8295 3.8295 3.8295 4.8152 4.8152 4.8191 4.8191 4.9594 4.9594 4.9619 4.9619 5.5441 5.5441 5.5528 5.5528 6.0142 6.0142 6.0154 6.0154 6.6455 6.6455 6.6564 6.6564 10.2344 10.2344 10.2411 10.2411 10.5732 10.5732 10.5766 10.5766 11.1190 11.1190 11.1284 11.1284 k = 0.5000-0.0000 0.0828 ( 6764 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4070 -4.4070 -4.4070 -4.4070 -3.0468 -3.0468 -3.0468 -3.0468 2.3321 2.3321 2.3324 2.3324 2.8802 2.8802 2.8802 2.8802 3.8300 3.8300 3.8300 3.8300 4.8133 4.8133 4.8181 4.8181 4.9451 4.9451 4.9488 4.9488 5.5437 5.5437 5.5515 5.5515 6.0309 6.0309 6.0324 6.0324 6.6449 6.6449 6.6554 6.6554 10.2322 10.2322 10.2386 10.2386 10.5728 10.5728 10.5760 10.5760 11.1221 11.1221 11.1311 11.1311 k = 0.5000-0.0000 0.0710 ( 6764 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4071 -4.4071 -4.4071 -4.4071 -3.0468 -3.0468 -3.0468 -3.0468 2.3322 2.3322 2.3325 2.3325 2.8824 2.8824 2.8824 2.8824 3.8305 3.8305 3.8305 3.8305 4.8112 4.8112 4.8168 4.8168 4.9323 4.9323 4.9370 4.9370 5.5434 5.5434 5.5503 5.5503 6.0465 6.0465 6.0481 6.0481 6.6444 6.6444 6.6543 6.6543 10.2302 10.2302 10.2361 10.2361 10.5725 10.5725 10.5754 10.5754 11.1255 11.1255 11.1339 11.1339 k = 0.5000-0.0000 0.0592 ( 6766 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4071 -4.4071 -4.4071 -4.4071 -3.0468 -3.0468 -3.0468 -3.0468 2.3323 2.3323 2.3326 2.3326 2.8844 2.8844 2.8845 2.8845 3.8309 3.8309 3.8309 3.8309 4.8092 4.8092 4.8150 4.8150 4.9214 4.9214 4.9267 4.9267 5.5432 5.5432 5.5491 5.5491 6.0604 6.0604 6.0620 6.0620 6.6442 6.6442 6.6531 6.6531 10.2284 10.2284 10.2336 10.2336 10.5722 10.5722 10.5748 10.5748 11.1290 11.1290 11.1365 11.1365 k = 0.5000-0.0000 0.0473 ( 6766 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4071 -4.4071 -4.4071 -4.4071 -3.0468 -3.0468 -3.0468 -3.0468 2.3325 2.3325 2.3327 2.3327 2.8862 2.8862 2.8862 2.8862 3.8313 3.8313 3.8313 3.8313 4.8073 4.8073 4.8130 4.8130 4.9127 4.9127 4.9181 4.9181 5.5432 5.5432 5.5480 5.5480 6.0724 6.0724 6.0738 6.0738 6.6443 6.6443 6.6518 6.6518 10.2268 10.2268 10.2312 10.2312 10.5720 10.5720 10.5742 10.5742 11.1326 11.1326 11.1389 11.1389 k = 0.5000-0.0000 0.0355 ( 6762 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4072 -4.4072 -4.4072 -4.4072 -3.0468 -3.0468 -3.0468 -3.0468 2.3326 2.3326 2.3327 2.3327 2.8877 2.8877 2.8877 2.8877 3.8316 3.8316 3.8316 3.8316 4.8058 4.8058 4.8107 4.8107 4.9063 4.9063 4.9111 4.9111 5.5434 5.5434 5.5469 5.5469 6.0821 6.0821 6.0833 6.0833 6.6446 6.6446 6.6504 6.6504 10.2257 10.2257 10.2291 10.2291 10.5720 10.5720 10.5737 10.5737 11.1359 11.1359 11.1408 11.1408 k = 0.5000-0.0000 0.0237 ( 6764 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4072 -4.4072 -4.4072 -4.4072 -3.0468 -3.0468 -3.0468 -3.0468 2.3326 2.3326 2.3328 2.3328 2.8888 2.8888 2.8888 2.8888 3.8318 3.8318 3.8319 3.8319 4.8048 4.8048 4.8084 4.8084 4.9022 4.9022 4.9058 4.9058 5.5436 5.5436 5.5460 5.5460 6.0892 6.0892 6.0901 6.0901 6.6451 6.6451 6.6491 6.6491 10.2250 10.2250 10.2273 10.2273 10.5720 10.5720 10.5732 10.5732 11.1387 11.1387 11.1421 11.1421 k = 0.5000-0.0000 0.0118 ( 6766 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4072 -4.4072 -4.4072 -4.4072 -3.0468 -3.0468 -3.0468 -3.0468 2.3327 2.3327 2.3328 2.3328 2.8894 2.8894 2.8894 2.8894 3.8320 3.8320 3.8320 3.8320 4.8046 4.8046 4.8065 4.8065 4.9003 4.9003 4.9022 4.9022 5.5440 5.5440 5.5452 5.5452 6.0937 6.0937 6.0941 6.0941 6.6459 6.6459 6.6479 6.6479 10.2248 10.2248 10.2259 10.2259 10.5722 10.5722 10.5728 10.5728 11.1408 11.1408 11.1425 11.1425 k = 0.5000-0.0000-0.0000 ( 6772 PWs) bands (ev): -41.3050 -41.3050 -41.3050 -41.3050 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4072 -4.4072 -4.4072 -4.4072 -3.0468 -3.0468 -3.0468 -3.0468 2.3327 2.3327 2.3327 2.3327 2.8897 2.8897 2.8897 2.8897 3.8320 3.8320 3.8320 3.8320 4.8052 4.8052 4.8052 4.8052 4.9004 4.9004 4.9004 4.9004 5.5446 5.5446 5.5446 5.5446 6.0954 6.0954 6.0954 6.0954 6.6468 6.6468 6.6468 6.6468 10.2251 10.2251 10.2251 10.2251 10.5724 10.5724 10.5724 10.5724 11.1421 11.1421 11.1421 11.1421 k = 0.0000 0.0000 0.2012 ( 6810 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5466 -20.5466 -18.8561 -18.8561 -18.8344 -18.8344 -18.7565 -18.7565 -18.7415 -18.7415 -7.0261 -7.0261 -6.9307 -6.9307 -5.0699 -5.0699 -4.0770 -4.0770 -3.2744 -3.2744 -3.2510 -3.2510 1.9072 1.9072 2.1066 2.1066 2.4897 2.4897 3.3155 3.3155 4.4510 4.4510 4.5819 4.5819 4.7602 4.7602 5.3845 5.3845 5.8527 5.8527 6.2346 6.2346 6.7170 6.7170 6.9445 6.9445 7.1637 7.1637 7.1773 7.1773 7.5349 7.5349 7.7481 7.7481 8.3602 8.3602 9.0261 9.0261 10.4600 10.4600 10.6420 10.6420 10.8048 10.8048 10.9891 10.9891 k = 0.0119-0.0000 0.2012 ( 6804 PWs) bands (ev): -41.3128 -41.3128 -41.3114 -41.3114 -20.5603 -20.5603 -20.5467 -20.5467 -18.8562 -18.8562 -18.8345 -18.8345 -18.7566 -18.7566 -18.7416 -18.7416 -7.0257 -7.0257 -6.9301 -6.9301 -5.0696 -5.0696 -4.0770 -4.0770 -3.2742 -3.2742 -3.2507 -3.2507 1.9080 1.9080 2.1066 2.1066 2.4909 2.4909 3.3164 3.3164 4.4505 4.4505 4.5809 4.5809 4.7568 4.7568 5.3831 5.3831 5.8463 5.8463 6.2391 6.2391 6.7161 6.7161 6.9427 6.9427 7.1575 7.1575 7.1785 7.1785 7.5302 7.5302 7.7411 7.7411 8.3648 8.3648 9.0356 9.0356 10.4624 10.4624 10.6422 10.6422 10.8052 10.8052 10.9877 10.9877 k = 0.0238-0.0000 0.2012 ( 6802 PWs) bands (ev): -41.3127 -41.3127 -41.3113 -41.3113 -20.5604 -20.5604 -20.5468 -20.5468 -18.8563 -18.8563 -18.8346 -18.8346 -18.7568 -18.7568 -18.7418 -18.7418 -7.0243 -7.0243 -6.9283 -6.9283 -5.0687 -5.0687 -4.0767 -4.0767 -3.2733 -3.2733 -3.2499 -3.2499 1.9104 1.9104 2.1065 2.1065 2.4945 2.4945 3.3190 3.3190 4.4488 4.4488 4.5780 4.5780 4.7467 4.7467 5.3788 5.3788 5.8278 5.8278 6.2519 6.2519 6.7133 6.7133 6.9374 6.9374 7.1430 7.1430 7.1781 7.1781 7.5152 7.5152 7.7216 7.7216 8.3783 8.3783 9.0630 9.0630 10.4695 10.4695 10.6428 10.6428 10.8064 10.8064 10.9830 10.9830 k = 0.0357-0.0000 0.2012 ( 6804 PWs) bands (ev): -41.3127 -41.3127 -41.3113 -41.3113 -20.5606 -20.5606 -20.5470 -20.5470 -18.8565 -18.8565 -18.8348 -18.8348 -18.7571 -18.7571 -18.7421 -18.7421 -7.0221 -7.0221 -6.9254 -6.9254 -5.0673 -5.0673 -4.0764 -4.0764 -3.2718 -3.2718 -3.2485 -3.2485 1.9144 1.9144 2.1064 2.1064 2.5006 2.5006 3.3235 3.3235 4.4457 4.4457 4.5732 4.5732 4.7303 4.7303 5.3717 5.3717 5.7990 5.7990 6.2716 6.2716 6.7083 6.7083 6.9288 6.9288 7.1230 7.1230 7.1739 7.1739 7.4883 7.4883 7.6940 7.6940 8.4004 8.4004 9.1058 9.1058 10.4809 10.4809 10.6438 10.6438 10.8085 10.8085 10.9734 10.9734 k = 0.0476-0.0000 0.2012 ( 6804 PWs) bands (ev): -41.3126 -41.3126 -41.3112 -41.3112 -20.5609 -20.5609 -20.5473 -20.5473 -18.8568 -18.8568 -18.8352 -18.8352 -18.7575 -18.7575 -18.7425 -18.7425 -7.0189 -7.0189 -6.9213 -6.9213 -5.0653 -5.0653 -4.0760 -4.0760 -3.2698 -3.2698 -3.2466 -3.2466 1.9200 1.9200 2.1062 2.1062 2.5092 2.5092 3.3297 3.3297 4.4407 4.4407 4.5666 4.5666 4.7084 4.7084 5.3617 5.3617 5.7618 5.7618 6.2962 6.2962 6.7008 6.7008 6.9173 6.9173 7.0983 7.0983 7.1660 7.1660 7.4476 7.4476 7.6629 7.6629 8.4304 8.4304 9.1605 9.1605 10.4959 10.4959 10.6456 10.6456 10.8116 10.8116 10.9569 10.9569 k = 0.0595-0.0000 0.2012 ( 6802 PWs) bands (ev): -41.3125 -41.3125 -41.3111 -41.3111 -20.5613 -20.5613 -20.5476 -20.5476 -18.8572 -18.8572 -18.8356 -18.8356 -18.7581 -18.7581 -18.7431 -18.7431 -7.0149 -7.0149 -6.9161 -6.9161 -5.0626 -5.0626 -4.0754 -4.0754 -3.2672 -3.2672 -3.2441 -3.2441 1.9271 1.9271 2.1058 2.1058 2.5204 2.5204 3.3376 3.3376 4.4334 4.4334 4.5579 4.5579 4.6820 4.6820 5.3488 5.3488 5.7182 5.7182 6.3241 6.3241 6.6903 6.6903 6.9034 6.9034 7.0697 7.0697 7.1545 7.1545 7.3935 7.3935 7.6313 7.6313 8.4674 8.4674 9.2235 9.2235 10.5136 10.5136 10.6483 10.6483 10.8157 10.8157 10.9331 10.9331 k = 0.0714-0.0000 0.2012 ( 6808 PWs) bands (ev): -41.3124 -41.3124 -41.3110 -41.3110 -20.5617 -20.5617 -20.5481 -20.5481 -18.8576 -18.8576 -18.8362 -18.8362 -18.7587 -18.7587 -18.7437 -18.7437 -7.0101 -7.0101 -6.9098 -6.9098 -5.0594 -5.0594 -4.0748 -4.0748 -3.2640 -3.2640 -3.2411 -3.2411 1.9358 1.9358 2.1051 2.1051 2.5342 2.5342 3.3474 3.3474 4.4231 4.4231 4.5461 4.5461 4.6533 4.6533 5.3329 5.3329 5.6701 5.6701 6.3537 6.3537 6.6759 6.6759 6.8878 6.8878 7.0379 7.0379 7.1395 7.1395 7.3289 7.3289 7.5996 7.5996 8.5105 8.5105 9.2917 9.2917 10.5324 10.5324 10.6525 10.6525 10.8206 10.8206 10.9047 10.9047 k = 0.0833-0.0000 0.2012 ( 6804 PWs) bands (ev): -41.3123 -41.3123 -41.3109 -41.3109 -20.5622 -20.5622 -20.5486 -20.5486 -18.8582 -18.8582 -18.8368 -18.8368 -18.7594 -18.7594 -18.7445 -18.7445 -7.0044 -7.0044 -6.9025 -6.9025 -5.0555 -5.0555 -4.0741 -4.0741 -3.2604 -3.2604 -3.2376 -3.2376 1.9459 1.9459 2.1041 2.1041 2.5508 2.5508 3.3589 3.3589 4.4091 4.4091 4.5287 4.5287 4.6256 4.6256 5.3142 5.3142 5.6189 5.6189 6.3834 6.3834 6.6572 6.6572 6.8715 6.8715 7.0034 7.0034 7.1203 7.1203 7.2582 7.2582 7.5665 7.5665 8.5587 8.5587 9.3627 9.3627 10.5506 10.5506 10.6584 10.6584 10.8230 10.8230 10.8787 10.8787 k = 0.0952-0.0000 0.2012 ( 6796 PWs) bands (ev): -41.3121 -41.3121 -41.3108 -41.3108 -20.5627 -20.5627 -20.5492 -20.5492 -18.8589 -18.8589 -18.8376 -18.8376 -18.7602 -18.7602 -18.7452 -18.7452 -6.9979 -6.9979 -6.8943 -6.8943 -5.0510 -5.0510 -4.0734 -4.0734 -3.2561 -3.2561 -3.2336 -3.2336 1.9575 1.9575 2.1027 2.1027 2.5702 2.5702 3.3721 3.3721 4.3911 4.3911 4.5021 4.5021 4.6032 4.6032 5.2924 5.2924 5.5664 5.5664 6.4113 6.4113 6.6341 6.6341 6.8552 6.8552 6.9670 6.9670 7.0944 7.0944 7.1880 7.1880 7.5309 7.5309 8.6113 8.6113 9.4343 9.4343 10.5663 10.5663 10.6658 10.6658 10.8116 10.8116 10.8708 10.8708 k = 0.1071-0.0000 0.2012 ( 6790 PWs) bands (ev): -41.3120 -41.3120 -41.3106 -41.3106 -20.5633 -20.5633 -20.5499 -20.5499 -18.8597 -18.8597 -18.8385 -18.8385 -18.7611 -18.7611 -18.7461 -18.7461 -6.9906 -6.9906 -6.8851 -6.8851 -5.0457 -5.0457 -4.0727 -4.0727 -3.2514 -3.2514 -3.2291 -3.2291 1.9704 1.9704 2.1009 2.1009 2.5925 2.5925 3.3871 3.3871 4.3685 4.3685 4.4652 4.4652 4.5879 4.5879 5.2678 5.2678 5.5140 5.5140 6.4347 6.4347 6.6076 6.6076 6.8391 6.8391 6.9293 6.9293 7.0527 7.0527 7.1304 7.1304 7.4919 7.4919 8.6673 8.6673 9.5049 9.5049 10.5785 10.5785 10.6736 10.6736 10.7865 10.7865 10.8841 10.8841 k = 0.1190-0.0000 0.2012 ( 6788 PWs) bands (ev): -41.3118 -41.3118 -41.3104 -41.3104 -20.5640 -20.5640 -20.5506 -20.5506 -18.8606 -18.8606 -18.8396 -18.8396 -18.7619 -18.7619 -18.7469 -18.7469 -6.9826 -6.9826 -6.8750 -6.8750 -5.0398 -5.0398 -4.0721 -4.0721 -3.2463 -3.2463 -3.2242 -3.2242 1.9846 1.9846 2.0988 2.0988 2.6175 2.6175 3.4039 3.4039 4.3406 4.3406 4.4208 4.4208 4.5777 4.5777 5.2404 5.2404 5.4628 5.4628 6.4490 6.4490 6.5810 6.5810 6.8223 6.8223 6.8913 6.8913 6.9908 6.9908 7.0933 7.0933 7.4491 7.4491 8.7261 8.7261 9.5732 9.5732 10.5870 10.5870 10.6793 10.6793 10.7607 10.7607 10.9088 10.9088 k = 0.1310-0.0000 0.2012 ( 6794 PWs) bands (ev): -41.3116 -41.3116 -41.3102 -41.3102 -20.5648 -20.5648 -20.5514 -20.5514 -18.8617 -18.8617 -18.8407 -18.8407 -18.7628 -18.7628 -18.7478 -18.7478 -6.9739 -6.9739 -6.8642 -6.8642 -5.0331 -5.0331 -4.0716 -4.0716 -3.2406 -3.2406 -3.2189 -3.2189 2.0000 2.0000 2.0963 2.0963 2.6453 2.6453 3.4223 3.4223 4.3059 4.3059 4.3728 4.3728 4.5702 4.5702 5.2105 5.2105 5.4141 5.4141 6.4462 6.4462 6.5607 6.5607 6.8019 6.8019 6.8551 6.8551 6.9228 6.9228 7.0662 7.0662 7.4024 7.4024 8.7870 8.7870 9.6381 9.6381 10.5922 10.5922 10.6799 10.6799 10.7403 10.7403 10.9407 10.9407 k = 0.1429-0.0000 0.2012 ( 6784 PWs) bands (ev): -41.3114 -41.3114 -41.3100 -41.3100 -20.5656 -20.5656 -20.5523 -20.5523 -18.8629 -18.8629 -18.8421 -18.8421 -18.7637 -18.7637 -18.7487 -18.7487 -6.9645 -6.9645 -6.8527 -6.8527 -5.0257 -5.0257 -4.0712 -4.0712 -3.2346 -3.2346 -3.2131 -3.2131 2.0165 2.0165 2.0935 2.0935 2.6757 2.6757 3.4426 3.4426 4.2623 4.2623 4.3252 4.3252 4.5635 4.5635 5.1784 5.1784 5.3685 5.3685 6.4220 6.4220 6.5493 6.5493 6.7726 6.7726 6.8217 6.8217 6.8631 6.8631 7.0420 7.0420 7.3521 7.3521 8.8497 8.8497 9.6988 9.6988 10.5945 10.5945 10.6734 10.6734 10.7285 10.7285 10.9567 10.9567 k = 0.1548-0.0000 0.2012 ( 6790 PWs) bands (ev): -41.3112 -41.3112 -41.3098 -41.3098 -20.5664 -20.5664 -20.5533 -20.5533 -18.8643 -18.8643 -18.8435 -18.8435 -18.7645 -18.7645 -18.7495 -18.7495 -6.9545 -6.9545 -6.8406 -6.8406 -5.0174 -5.0174 -4.0710 -4.0710 -3.2281 -3.2281 -3.2070 -3.2070 2.0341 2.0341 2.0906 2.0906 2.7087 2.7087 3.4645 3.4645 4.2087 4.2087 4.2801 4.2801 4.5566 4.5566 5.1449 5.1449 5.3265 5.3265 6.3824 6.3824 6.5376 6.5376 6.7327 6.7327 6.7828 6.7828 6.8276 6.8276 7.0189 7.0189 7.2986 7.2986 8.9137 8.9137 9.7546 9.7546 10.5936 10.5936 10.6622 10.6622 10.7241 10.7241 10.9491 10.9491 k = 0.1667-0.0000 0.2012 ( 6788 PWs) bands (ev): -41.3110 -41.3110 -41.3096 -41.3096 -20.5673 -20.5673 -20.5543 -20.5543 -18.8658 -18.8658 -18.8452 -18.8452 -18.7653 -18.7653 -18.7503 -18.7503 -6.9438 -6.9438 -6.8280 -6.8280 -5.0084 -5.0084 -4.0711 -4.0711 -3.2213 -3.2213 -3.2006 -3.2006 2.0524 2.0524 2.0878 2.0878 2.7441 2.7441 3.4882 3.4882 4.1475 4.1475 4.2359 4.2359 4.5490 4.5490 5.1106 5.1106 5.2879 5.2879 6.3348 6.3348 6.5154 6.5154 6.6858 6.6858 6.7462 6.7462 6.8086 6.8086 6.9964 6.9964 7.2427 7.2427 8.9787 8.9787 9.8050 9.8050 10.5891 10.5891 10.6515 10.6515 10.7237 10.7237 10.9426 10.9426 k = 0.1786-0.0000 0.2012 ( 6788 PWs) bands (ev): -41.3107 -41.3107 -41.3094 -41.3094 -20.5682 -20.5682 -20.5554 -20.5554 -18.8674 -18.8674 -18.8470 -18.8470 -18.7661 -18.7661 -18.7511 -18.7511 -6.9327 -6.9327 -6.8150 -6.8150 -4.9984 -4.9984 -4.0716 -4.0716 -3.2141 -3.2141 -3.1938 -3.1938 2.0709 2.0709 2.0858 2.0858 2.7817 2.7817 3.5136 3.5136 4.0814 4.0814 4.1908 4.1908 4.5402 4.5402 5.0766 5.0766 5.2525 5.2525 6.2831 6.2831 6.4797 6.4797 6.6360 6.6360 6.7206 6.7206 6.7932 6.7932 6.9742 6.9742 7.1853 7.1853 9.0445 9.0445 9.8498 9.8498 10.5803 10.5803 10.6438 10.6438 10.7258 10.7258 10.9380 10.9380 k = 0.1905-0.0000 0.2012 ( 6792 PWs) bands (ev): -41.3105 -41.3105 -41.3092 -41.3092 -20.5692 -20.5692 -20.5565 -20.5565 -18.8692 -18.8692 -18.8489 -18.8489 -18.7667 -18.7667 -18.7518 -18.7518 -6.9211 -6.9211 -6.8017 -6.8017 -4.9875 -4.9875 -4.0724 -4.0724 -3.2067 -3.2067 -3.1868 -3.1868 2.0797 2.0797 2.0943 2.0943 2.8214 2.8214 3.5407 3.5407 4.0121 4.0121 4.1436 4.1436 4.5299 4.5299 5.0436 5.0436 5.2198 5.2198 6.2291 6.2291 6.4344 6.4344 6.5849 6.5849 6.7027 6.7027 6.7771 6.7771 6.9521 6.9521 7.1280 7.1280 9.1110 9.1110 9.8889 9.8889 10.5674 10.5674 10.6400 10.6400 10.7302 10.7302 10.9352 10.9352 k = 0.2024-0.0000 0.2012 ( 6798 PWs) bands (ev): -41.3102 -41.3102 -41.3090 -41.3090 -20.5702 -20.5702 -20.5577 -20.5577 -18.8710 -18.8710 -18.8510 -18.8510 -18.7673 -18.7673 -18.7524 -18.7524 -6.9090 -6.9090 -6.7882 -6.7882 -4.9757 -4.9757 -4.0736 -4.0736 -3.1989 -3.1989 -3.1796 -3.1796 2.0782 2.0782 2.1140 2.1140 2.8628 2.8628 3.5696 3.5696 3.9410 3.9410 4.0938 4.0938 4.5180 4.5180 5.0123 5.0123 5.1894 5.1894 6.1741 6.1741 6.3852 6.3852 6.5331 6.5331 6.6867 6.6867 6.7582 6.7582 6.9298 6.9298 7.0729 7.0729 9.1780 9.1780 9.9225 9.9225 10.5511 10.5511 10.6397 10.6397 10.7369 10.7369 10.9341 10.9341 k = 0.2143-0.0000 0.2012 ( 6790 PWs) bands (ev): -41.3099 -41.3099 -41.3087 -41.3087 -20.5712 -20.5712 -20.5589 -20.5589 -18.8730 -18.8730 -18.8532 -18.8532 -18.7677 -18.7677 -18.7530 -18.7530 -6.8965 -6.8965 -6.7745 -6.7745 -4.9630 -4.9630 -4.0754 -4.0754 -3.1910 -3.1910 -3.1722 -3.1722 2.0763 2.0763 2.1351 2.1351 2.9057 2.9057 3.6000 3.6000 3.8690 3.8690 4.0413 4.0413 4.5044 4.5044 4.9833 4.9833 5.1607 5.1607 6.1189 6.1189 6.3362 6.3362 6.4806 6.4806 6.6679 6.6679 6.7359 6.7359 6.9067 6.9067 7.0225 7.0225 9.2454 9.2454 9.9509 9.9509 10.5322 10.5322 10.6425 10.6425 10.7457 10.7457 10.9343 10.9343 k = 0.2262-0.0000 0.2012 ( 6798 PWs) bands (ev): -41.3096 -41.3096 -41.3085 -41.3085 -20.5722 -20.5722 -20.5601 -20.5601 -18.8751 -18.8751 -18.8556 -18.8556 -18.7681 -18.7681 -18.7535 -18.7535 -6.8838 -6.8838 -6.7609 -6.7609 -4.9492 -4.9492 -4.0778 -4.0778 -3.1829 -3.1829 -3.1646 -3.1646 2.0750 2.0750 2.1566 2.1566 2.9496 2.9496 3.6321 3.6321 3.7969 3.7969 3.9863 3.9863 4.4890 4.4890 4.9568 4.9568 5.1335 5.1335 6.0641 6.0641 6.2894 6.2894 6.4279 6.4279 6.6415 6.6415 6.7107 6.7107 6.8823 6.8823 6.9794 6.9794 9.3133 9.3133 9.9747 9.9747 10.5115 10.5115 10.6481 10.6481 10.7564 10.7564 10.9355 10.9355 k = 0.2381-0.0000 0.2012 ( 6792 PWs) bands (ev): -41.3094 -41.3094 -41.3082 -41.3082 -20.5732 -20.5732 -20.5614 -20.5614 -18.8773 -18.8773 -18.8581 -18.8581 -18.7683 -18.7683 -18.7539 -18.7539 -6.8707 -6.8707 -6.7474 -6.7474 -4.9344 -4.9344 -4.0808 -4.0808 -3.1747 -3.1747 -3.1569 -3.1569 2.0743 2.0743 2.1783 2.1783 2.9943 2.9943 3.6653 3.6653 3.7262 3.7262 3.9291 3.9291 4.4717 4.4717 4.9332 4.9332 5.1076 5.1076 6.0101 6.0101 6.2458 6.2458 6.3755 6.3755 6.6034 6.6034 6.6847 6.6847 6.8568 6.8568 6.9446 6.9446 9.3815 9.3815 9.9946 9.9946 10.4897 10.4897 10.6557 10.6557 10.7687 10.7687 10.9375 10.9375 k = 0.2500-0.0000 0.2012 ( 6784 PWs) bands (ev): -41.3091 -41.3091 -41.3080 -41.3080 -20.5743 -20.5743 -20.5628 -20.5628 -18.8795 -18.8795 -18.8608 -18.8608 -18.7684 -18.7684 -18.7543 -18.7543 -6.8574 -6.8574 -6.7341 -6.7341 -4.9186 -4.9186 -4.0846 -4.0846 -3.1663 -3.1663 -3.1491 -3.1491 2.0744 2.0744 2.2000 2.2000 3.0390 3.0390 3.6539 3.6539 3.7033 3.7033 3.8699 3.8699 4.4524 4.4524 4.9126 4.9126 5.0830 5.0830 5.9573 5.9573 6.2056 6.2056 6.3238 6.3238 6.5529 6.5529 6.6587 6.6587 6.8315 6.8315 6.9169 6.9169 9.4500 9.4500 10.0113 10.0113 10.4676 10.4676 10.6650 10.6650 10.7825 10.7825 10.9401 10.9401 k = 0.2619-0.0000 0.2012 ( 6778 PWs) bands (ev): -41.3088 -41.3088 -41.3077 -41.3077 -20.5753 -20.5753 -20.5641 -20.5641 -18.8818 -18.8818 -18.8635 -18.8635 -18.7685 -18.7685 -18.7546 -18.7546 -6.8440 -6.8440 -6.7211 -6.7211 -4.9017 -4.9017 -4.0891 -4.0891 -3.1580 -3.1580 -3.1414 -3.1414 2.0755 2.0755 2.2216 2.2216 3.0828 3.0828 3.5876 3.5876 3.7394 3.7394 3.8093 3.8093 4.4310 4.4310 4.8951 4.8951 5.0598 5.0598 5.9059 5.9059 6.1682 6.1682 6.2738 6.2738 6.4925 6.4925 6.6314 6.6314 6.8077 6.8077 6.8941 6.8941 9.5186 9.5186 10.0255 10.0255 10.4455 10.4455 10.6751 10.6751 10.7975 10.7975 10.9430 10.9430 k = 0.2738-0.0000 0.2012 ( 6778 PWs) bands (ev): -41.3085 -41.3085 -41.3075 -41.3075 -20.5763 -20.5763 -20.5655 -20.5655 -18.8840 -18.8840 -18.8663 -18.8663 -18.7684 -18.7684 -18.7549 -18.7549 -6.8305 -6.8305 -6.7085 -6.7085 -4.8838 -4.8838 -4.0945 -4.0945 -3.1496 -3.1496 -3.1336 -3.1336 2.0776 2.0776 2.2429 2.2429 3.1243 3.1243 3.5249 3.5249 3.7464 3.7464 3.7792 3.7792 4.4073 4.4073 4.8808 4.8808 5.0385 5.0385 5.8562 5.8562 6.1323 6.1323 6.2266 6.2266 6.4254 6.4254 6.6018 6.6018 6.7857 6.7857 6.8744 6.8744 9.5873 9.5873 10.0379 10.0379 10.4241 10.4241 10.6856 10.6856 10.8136 10.8136 10.9462 10.9462 k = 0.2857-0.0000 0.2012 ( 6780 PWs) bands (ev): -41.3082 -41.3082 -41.3072 -41.3072 -20.5773 -20.5773 -20.5668 -20.5668 -18.8863 -18.8863 -18.8691 -18.8691 -18.7682 -18.7682 -18.7551 -18.7551 -6.8169 -6.8169 -6.6964 -6.6964 -4.8648 -4.8648 -4.1008 -4.1008 -3.1412 -3.1412 -3.1259 -3.1259 2.0810 2.0810 2.2636 2.2636 3.1607 3.1607 3.4690 3.4690 3.6848 3.6848 3.8191 3.8191 4.3813 4.3813 4.8696 4.8696 5.0194 5.0194 5.8080 5.8080 6.0960 6.0960 6.1837 6.1837 6.3545 6.3545 6.5690 6.5690 6.7656 6.7656 6.8566 6.8566 9.6559 9.6559 10.0492 10.0492 10.4035 10.4035 10.6958 10.6958 10.8306 10.8306 10.9497 10.9497 k = 0.2976-0.0000 0.2012 ( 6776 PWs) bands (ev): -41.3079 -41.3079 -41.3070 -41.3070 -20.5783 -20.5783 -20.5682 -20.5682 -18.8886 -18.8886 -18.8720 -18.8720 -18.7679 -18.7679 -18.7553 -18.7553 -6.8033 -6.8033 -6.6849 -6.6849 -4.8448 -4.8448 -4.1082 -4.1082 -3.1330 -3.1330 -3.1184 -3.1184 2.0855 2.0855 2.2836 2.2836 3.1864 3.1864 3.4253 3.4253 3.6232 3.6232 3.8612 3.8612 4.3529 4.3529 4.8618 4.8618 5.0030 5.0030 5.7616 5.7616 6.0573 6.0573 6.1461 6.1461 6.2823 6.2823 6.5330 6.5330 6.7473 6.7473 6.8402 6.8402 9.7240 9.7240 10.0599 10.0599 10.3844 10.3844 10.7051 10.7051 10.8483 10.8483 10.9539 10.9539 k = 0.3095-0.0000 0.2012 ( 6776 PWs) bands (ev): -41.3077 -41.3077 -41.3068 -41.3068 -20.5792 -20.5792 -20.5696 -20.5696 -18.8908 -18.8908 -18.8749 -18.8749 -18.7675 -18.7675 -18.7554 -18.7554 -6.7898 -6.7898 -6.6741 -6.6741 -4.8238 -4.8238 -4.1165 -4.1165 -3.1249 -3.1249 -3.1110 -3.1110 2.0914 2.0914 2.3027 2.3027 3.1923 3.1923 3.4018 3.4018 3.5635 3.5635 3.9048 3.9048 4.3223 4.3223 4.8573 4.8573 4.9897 4.9897 5.7167 5.7167 6.0157 6.0157 6.1119 6.1119 6.2121 6.2121 6.4939 6.4939 6.7305 6.7305 6.8249 6.8249 9.7913 9.7913 10.0707 10.0707 10.3670 10.3670 10.7127 10.7127 10.8665 10.8665 10.9590 10.9590 k = 0.3214-0.0000 0.2012 ( 6774 PWs) bands (ev): -41.3074 -41.3074 -41.3065 -41.3065 -20.5801 -20.5801 -20.5709 -20.5709 -18.8929 -18.8929 -18.8777 -18.8777 -18.7671 -18.7671 -18.7556 -18.7556 -6.7764 -6.7764 -6.6640 -6.6640 -4.8018 -4.8018 -4.1259 -4.1259 -3.1170 -3.1170 -3.1038 -3.1038 2.0986 2.0986 2.3205 2.3205 3.1740 3.1740 3.3989 3.3989 3.5102 3.5102 3.9500 3.9500 4.2898 4.2898 4.8560 4.8560 4.9796 4.9796 5.6733 5.6733 5.9721 5.9721 6.0735 6.0735 6.1511 6.1511 6.4521 6.4521 6.7153 6.7153 6.8104 6.8104 9.8572 9.8572 10.0820 10.0820 10.3517 10.3517 10.7180 10.7180 10.8852 10.8852 10.9655 10.9655 k = 0.3333-0.0000 0.2012 ( 6770 PWs) bands (ev): -41.3071 -41.3071 -41.3063 -41.3063 -20.5810 -20.5810 -20.5722 -20.5722 -18.8950 -18.8950 -18.8806 -18.8806 -18.7666 -18.7666 -18.7557 -18.7557 -6.7633 -6.7633 -6.6548 -6.6548 -4.7788 -4.7788 -4.1365 -4.1365 -3.1093 -3.1093 -3.0969 -3.0969 2.1073 2.1073 2.3371 2.3371 3.1399 3.1399 3.3906 3.3906 3.4813 3.4813 3.9966 3.9966 4.2559 4.2559 4.8580 4.8580 4.9731 4.9731 5.6309 5.6309 5.9278 5.9278 6.0204 6.0204 6.1094 6.1094 6.4079 6.4079 6.7015 6.7015 6.7965 6.7965 9.9208 9.9208 10.0942 10.0942 10.3392 10.3392 10.7204 10.7204 10.9041 10.9041 10.9738 10.9738 k = 0.3452-0.0000 0.2012 ( 6770 PWs) bands (ev): -41.3069 -41.3069 -41.3061 -41.3061 -20.5818 -20.5818 -20.5735 -20.5735 -18.8970 -18.8970 -18.8833 -18.8833 -18.7661 -18.7661 -18.7557 -18.7557 -6.7503 -6.7503 -6.6464 -6.6464 -4.7550 -4.7550 -4.1483 -4.1483 -3.1018 -3.1018 -3.0902 -3.0902 2.1173 2.1173 2.3519 2.3519 3.0999 3.0999 3.3511 3.3511 3.4930 3.4930 4.0441 4.0441 4.2213 4.2213 4.8631 4.8631 4.9702 4.9702 5.5892 5.5892 5.8833 5.8833 5.9565 5.9565 6.0827 6.0827 6.3619 6.3619 6.6892 6.6892 6.7833 6.7833 9.9810 9.9810 10.1079 10.1079 10.3301 10.3301 10.7195 10.7195 10.9232 10.9232 10.9841 10.9841 k = 0.3571-0.0000 0.2012 ( 6776 PWs) bands (ev): -41.3066 -41.3066 -41.3060 -41.3060 -20.5825 -20.5825 -20.5748 -20.5748 -18.8988 -18.8988 -18.8860 -18.8860 -18.7655 -18.7655 -18.7558 -18.7558 -6.7377 -6.7377 -6.6389 -6.6389 -4.7304 -4.7304 -4.1612 -4.1612 -3.0947 -3.0947 -3.0839 -3.0839 2.1286 2.1286 2.3650 2.3650 3.0593 3.0593 3.2992 3.2992 3.5214 3.5214 4.0908 4.0908 4.1885 4.1885 4.8713 4.8713 4.9705 4.9705 5.5473 5.5473 5.8388 5.8388 5.8920 5.8920 6.0621 6.0621 6.3148 6.3148 6.6783 6.6783 6.7705 6.7705 10.0359 10.0359 10.1238 10.1238 10.3255 10.3255 10.7152 10.7152 10.9425 10.9425 10.9962 10.9962 k = 0.3690-0.0000 0.2012 ( 6772 PWs) bands (ev): -41.3064 -41.3064 -41.3058 -41.3058 -20.5832 -20.5832 -20.5760 -20.5760 -18.9005 -18.9005 -18.8887 -18.8887 -18.7649 -18.7649 -18.7559 -18.7559 -6.7253 -6.7253 -6.6324 -6.6324 -4.7050 -4.7050 -4.1754 -4.1754 -3.0880 -3.0880 -3.0780 -3.0780 2.1414 2.1414 2.3760 2.3760 3.0205 3.0205 3.2458 3.2458 3.5537 3.5537 4.1204 4.1204 4.1743 4.1743 4.8824 4.8824 4.9741 4.9741 5.5043 5.5043 5.7928 5.7928 5.8331 5.8331 6.0437 6.0437 6.2671 6.2671 6.6688 6.6688 6.7582 6.7582 10.0825 10.0825 10.1427 10.1427 10.3271 10.3271 10.7077 10.7077 10.9618 10.9618 11.0099 11.0099 k = 0.3810-0.0000 0.2012 ( 6784 PWs) bands (ev): -41.3062 -41.3062 -41.3056 -41.3056 -20.5838 -20.5838 -20.5772 -20.5772 -18.9021 -18.9021 -18.8912 -18.8912 -18.7643 -18.7643 -18.7560 -18.7560 -6.7134 -6.7134 -6.6268 -6.6268 -4.6790 -4.6790 -4.1908 -4.1908 -3.0816 -3.0816 -3.0725 -3.0725 2.1553 2.1553 2.3848 2.3848 2.9847 2.9847 3.1937 3.1937 3.5861 3.5861 4.1006 4.1006 4.2114 4.2114 4.8960 4.8960 4.9804 4.9804 5.4587 5.4587 5.7444 5.7444 5.7841 5.7841 6.0258 6.0258 6.2195 6.2195 6.6609 6.6609 6.7463 6.7463 10.1177 10.1177 10.1650 10.1650 10.3370 10.3370 10.6975 10.6975 10.9812 10.9812 11.0245 11.0245 k = 0.3929-0.0000 0.2012 ( 6784 PWs) bands (ev): -41.3060 -41.3060 -41.3055 -41.3055 -20.5843 -20.5843 -20.5783 -20.5783 -18.9035 -18.9035 -18.8935 -18.8935 -18.7636 -18.7636 -18.7561 -18.7561 -6.7020 -6.7020 -6.6223 -6.6223 -4.6524 -4.6524 -4.2074 -4.2074 -3.0757 -3.0757 -3.0674 -3.0674 2.1705 2.1705 2.3911 2.3911 2.9525 2.9525 3.1439 3.1439 3.6172 3.6172 4.0682 4.0682 4.2635 4.2635 4.9120 4.9120 4.9889 4.9889 5.4093 5.4093 5.6970 5.6970 5.7437 5.7437 6.0080 6.0080 6.1725 6.1725 6.6543 6.6543 6.7348 6.7348 10.1430 10.1430 10.1871 10.1871 10.3564 10.3564 10.6853 10.6853 11.0004 11.0004 11.0396 11.0396 k = 0.4048-0.0000 0.2012 ( 6778 PWs) bands (ev): -41.3058 -41.3058 -41.3054 -41.3054 -20.5848 -20.5848 -20.5794 -20.5794 -18.9047 -18.9047 -18.8958 -18.8958 -18.7630 -18.7630 -18.7563 -18.7563 -6.6910 -6.6910 -6.6188 -6.6188 -4.6254 -4.6254 -4.2253 -4.2253 -3.0703 -3.0703 -3.0629 -3.0629 2.1868 2.1868 2.3948 2.3948 2.9245 2.9245 3.0971 3.0971 3.6466 3.6466 4.0351 4.0351 4.3191 4.3191 4.9297 4.9297 4.9992 4.9992 5.3551 5.3551 5.6554 5.6554 5.7087 5.7087 5.9900 5.9900 6.1270 6.1270 6.6492 6.6492 6.7237 6.7237 10.1626 10.1626 10.2050 10.2050 10.3842 10.3842 10.6717 10.6717 11.0191 11.0191 11.0545 11.0545 k = 0.4167-0.0000 0.2012 ( 6770 PWs) bands (ev): -41.3056 -41.3056 -41.3052 -41.3052 -20.5851 -20.5851 -20.5804 -20.5804 -18.9057 -18.9057 -18.8978 -18.8978 -18.7624 -18.7624 -18.7565 -18.7565 -6.6806 -6.6806 -6.6163 -6.6163 -4.5980 -4.5980 -4.2444 -4.2444 -3.0653 -3.0653 -3.0588 -3.0588 2.2039 2.2039 2.3958 2.3958 2.9008 2.9008 3.0536 3.0536 3.6740 3.6740 4.0031 4.0031 4.3769 4.3769 4.9488 4.9488 5.0105 5.0105 5.2964 5.2964 5.6214 5.6214 5.6777 5.6777 5.9721 5.9721 6.0835 6.0835 6.6456 6.6456 6.7131 6.7131 10.1792 10.1792 10.2186 10.2186 10.4164 10.4164 10.6576 10.6576 11.0372 11.0372 11.0687 11.0687 k = 0.4286-0.0000 0.2012 ( 6772 PWs) bands (ev): -41.3055 -41.3055 -41.3051 -41.3051 -20.5854 -20.5854 -20.5813 -20.5813 -18.9065 -18.9065 -18.8997 -18.8997 -18.7617 -18.7617 -18.7566 -18.7566 -6.6708 -6.6708 -6.6149 -6.6149 -4.5704 -4.5704 -4.2646 -4.2646 -3.0609 -3.0609 -3.0553 -3.0553 2.2219 2.2219 2.3941 2.3941 2.8815 2.8815 3.0137 3.0137 3.6994 3.6994 3.9727 3.9727 4.4363 4.4363 4.9683 4.9683 5.0220 5.0220 5.2339 5.2339 5.5950 5.5950 5.6502 5.6502 5.9544 5.9544 6.0429 6.0429 6.6433 6.6433 6.7029 6.7029 10.1934 10.1934 10.2297 10.2297 10.4492 10.4492 10.6437 10.6437 11.0542 11.0542 11.0817 11.0817 k = 0.4405-0.0000 0.2012 ( 6778 PWs) bands (ev): -41.3054 -41.3054 -41.3051 -41.3051 -20.5856 -20.5856 -20.5822 -20.5822 -18.9071 -18.9071 -18.9014 -18.9014 -18.7611 -18.7611 -18.7569 -18.7569 -6.6617 -6.6617 -6.6144 -6.6144 -4.5427 -4.5427 -4.2859 -4.2859 -3.0570 -3.0570 -3.0524 -3.0524 2.2403 2.2403 2.3896 2.3896 2.8669 2.8669 2.9779 2.9779 3.7230 3.7230 3.9441 3.9441 4.4973 4.4973 4.9876 4.9876 5.0326 5.0326 5.1692 5.1692 5.5756 5.5756 5.6262 5.6262 5.9378 5.9378 6.0059 6.0059 6.6424 6.6424 6.6934 6.6934 10.2057 10.2057 10.2390 10.2390 10.4801 10.4801 10.6305 10.6305 11.0698 11.0698 11.0932 11.0932 k = 0.4524-0.0000 0.2012 ( 6762 PWs) bands (ev): -41.3052 -41.3052 -41.3050 -41.3050 -20.5857 -20.5857 -20.5829 -20.5829 -18.9075 -18.9075 -18.9030 -18.9030 -18.7606 -18.7606 -18.7571 -18.7571 -6.6532 -6.6532 -6.6150 -6.6150 -4.5150 -4.5150 -4.3083 -4.3083 -3.0538 -3.0538 -3.0500 -3.0500 2.2591 2.2591 2.3825 2.3825 2.8569 2.8569 2.9462 2.9462 3.7451 3.7451 3.9173 3.9173 4.5598 4.5598 5.0052 5.0052 5.0399 5.0399 5.1054 5.1054 5.5622 5.5622 5.6055 5.6055 5.9229 5.9229 5.9734 5.9734 6.6428 6.6428 6.6844 6.6844 10.2166 10.2166 10.2465 10.2465 10.5075 10.5075 10.6185 10.6185 11.0836 11.0836 11.1027 11.1027 k = 0.4643-0.0000 0.2012 ( 6758 PWs) bands (ev): -41.3051 -41.3051 -41.3049 -41.3049 -20.5857 -20.5857 -20.5836 -20.5836 -18.9077 -18.9077 -18.9043 -18.9043 -18.7600 -18.7600 -18.7574 -18.7574 -6.6454 -6.6454 -6.6166 -6.6166 -4.4874 -4.4874 -4.3316 -4.3316 -3.0511 -3.0511 -3.0483 -3.0483 2.2779 2.2779 2.3728 2.3728 2.8517 2.8517 2.9188 2.9188 3.7661 3.7661 3.8924 3.8924 4.6235 4.6235 5.0095 5.0095 5.0330 5.0330 5.0639 5.0639 5.5541 5.5541 5.5881 5.5881 5.9108 5.9108 5.9461 5.9461 6.6444 6.6444 6.6761 6.6761 10.2263 10.2263 10.2514 10.2514 10.5308 10.5308 10.6078 10.6078 11.0953 11.0953 11.1098 11.1098 k = 0.4762-0.0000 0.2012 ( 6744 PWs) bands (ev): -41.3050 -41.3050 -41.3049 -41.3049 -20.5856 -20.5856 -20.5842 -20.5842 -18.9077 -18.9077 -18.9054 -18.9054 -18.7595 -18.7595 -18.7578 -18.7578 -6.6385 -6.6385 -6.6191 -6.6191 -4.4601 -4.4601 -4.3559 -4.3559 -3.0491 -3.0491 -3.0472 -3.0472 2.2964 2.2964 2.3609 2.3609 2.8511 2.8511 2.8960 2.8960 3.7863 3.7863 3.8692 3.8692 4.6885 4.6885 4.9551 4.9551 5.0404 5.0404 5.0613 5.0613 5.5506 5.5506 5.5740 5.5740 5.9025 5.9025 5.9247 5.9247 6.6472 6.6472 6.6686 6.6686 10.2351 10.2351 10.2534 10.2534 10.5500 10.5500 10.5980 10.5980 11.1047 11.1047 11.1145 11.1145 k = 0.4881-0.0000 0.2012 ( 6748 PWs) bands (ev): -41.3050 -41.3050 -41.3049 -41.3049 -20.5854 -20.5854 -20.5847 -20.5847 -18.9075 -18.9075 -18.9063 -18.9063 -18.7590 -18.7590 -18.7581 -18.7581 -6.6323 -6.6323 -6.6226 -6.6226 -4.4332 -4.4332 -4.3810 -4.3810 -3.0476 -3.0476 -3.0467 -3.0467 2.3144 2.3144 2.3469 2.3469 2.8553 2.8553 2.8778 2.8778 3.8063 3.8063 3.8473 3.8473 4.7546 4.7546 4.8887 4.8887 5.0506 5.0506 5.0610 5.0610 5.5512 5.5512 5.5631 5.5631 5.8990 5.8990 5.9096 5.9096 6.6511 6.6511 6.6618 6.6618 10.2426 10.2426 10.2523 10.2523 10.5654 10.5654 10.5883 10.5883 11.1114 11.1114 11.1163 11.1163 k = 0.5000-0.0000 0.2012 ( 6752 PWs) bands (ev): -41.3049 -41.3049 -41.3049 -41.3049 -20.5851 -20.5851 -20.5851 -20.5851 -18.9070 -18.9070 -18.9070 -18.9070 -18.7585 -18.7585 -18.7585 -18.7585 -6.6270 -6.6270 -6.6270 -6.6270 -4.4068 -4.4068 -4.4068 -4.4068 -3.0468 -3.0468 -3.0468 -3.0468 2.3313 2.3313 2.3313 2.3313 2.8642 2.8642 2.8642 2.8642 3.8265 3.8265 3.8265 3.8265 4.8215 4.8215 4.8215 4.8215 5.0576 5.0576 5.0576 5.0576 5.5554 5.5554 5.5554 5.5554 5.9011 5.9011 5.9011 5.9011 6.6560 6.6560 6.6560 6.6560 10.2486 10.2486 10.2486 10.2486 10.5778 10.5778 10.5778 10.5778 11.1153 11.1153 11.1153 11.1153 Writing output data file ZrSe3.save init_run : 4.19s CPU 13.67s WALL ( 1 calls) electrons : 774.11s CPU 780.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 774.08s CPU 780.47s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.22s CPU 0.63s WALL ( 1 calls) newd : 0.52s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 265 calls) cegterg : 719.07s CPU 722.86s WALL ( 319 calls) Called by sum_band: Called by *egterg: h_psi : 281.82s CPU 286.64s WALL ( 5772 calls) s_psi : 29.73s CPU 29.89s WALL ( 5772 calls) g_psi : 0.95s CPU 0.96s WALL ( 5188 calls) cdiaghg : 288.99s CPU 288.03s WALL ( 5453 calls) cegterg:over : 78.99s CPU 77.96s WALL ( 5188 calls) cegterg:upda : 25.45s CPU 26.75s WALL ( 5188 calls) cegterg:last : 20.34s CPU 20.77s WALL ( 1170 calls) Called by h_psi: h_psi:vloc : 216.86s CPU 220.03s WALL ( 5772 calls) h_psi:vnl : 64.43s CPU 65.65s WALL ( 5772 calls) add_vuspsi : 22.96s CPU 24.81s WALL ( 5772 calls) General routines calbec : 41.43s CPU 40.79s WALL ( 5772 calls) fft : 0.41s CPU 1.36s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 205.54s CPU 209.12s WALL ( 1098208 calls) interpolate : 0.05s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 2.14s WALL ( 530 calls) Parallel routines fft_scatter : 142.47s CPU 145.25s WALL ( 1098231 calls) PWSCF : 14m 8.14s CPU 16m50.44s WALL This run was terminated on: 2:47:26 25May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=