Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:34:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Zr3AlN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 30 8 3167 1544 238 Max 50 31 9 3174 1569 249 Sum 1775 1107 321 114079 56123 8857 bravais-lattice index = 14 lattice parameter (alat) = 11.3208 a.u. unit-cell volume = 1174.0512 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.320790 celldm(2)= 1.000000 celldm(3)= 1.499406 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.841869 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.841869 0.539681 0.000000 ) a(3) = ( 0.000000 0.000000 1.499406 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.559937 -0.000000 ) b(2) = ( 0.000000 1.852945 -0.000000 ) b(3) = ( 0.000000 0.000000 0.666931 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 1.00) N 5.00 14.00670 N( 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7497031 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7497031 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0053228 0.0181661 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0106456 0.0363322 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0159684 0.0544984 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0212912 0.0726645 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0266141 0.0908306 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0319369 0.1089967 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0372597 0.1271629 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0425825 0.1453290 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0479053 0.1634951 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0532281 0.1816613 -0.0000000), wk = 0.0027933 k( 12) = ( 0.0585509 0.1998274 -0.0000000), wk = 0.0027933 k( 13) = ( 0.0638737 0.2179935 -0.0000000), wk = 0.0027933 k( 14) = ( 0.0691965 0.2361596 -0.0000000), wk = 0.0027933 k( 15) = ( 0.0745193 0.2543258 -0.0000000), wk = 0.0027933 k( 16) = ( 0.0798422 0.2724919 -0.0000000), wk = 0.0027933 k( 17) = ( 0.0851650 0.2906580 -0.0000000), wk = 0.0027933 k( 18) = ( 0.0904878 0.3088241 -0.0000000), wk = 0.0027933 k( 19) = ( 0.0958106 0.3269903 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1011334 0.3451564 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1064562 0.3633225 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1117790 0.3814886 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1171018 0.3996548 -0.0000000), wk = 0.0027933 k( 24) = ( 0.1224246 0.4178209 -0.0000000), wk = 0.0027933 k( 25) = ( 0.1277475 0.4359870 -0.0000000), wk = 0.0027933 k( 26) = ( 0.1330703 0.4541532 -0.0000000), wk = 0.0027933 k( 27) = ( 0.1383931 0.4723193 -0.0000000), wk = 0.0027933 k( 28) = ( 0.1437159 0.4904854 -0.0000000), wk = 0.0027933 k( 29) = ( 0.1490387 0.5086515 -0.0000000), wk = 0.0027933 k( 30) = ( 0.1543615 0.5268176 -0.0000000), wk = 0.0027933 k( 31) = ( 0.1596843 0.5449838 -0.0000000), wk = 0.0027933 k( 32) = ( 0.1650071 0.5631499 -0.0000000), wk = 0.0027933 k( 33) = ( 0.1703299 0.5813160 -0.0000000), wk = 0.0027933 k( 34) = ( 0.1756527 0.5994821 -0.0000000), wk = 0.0027933 k( 35) = ( 0.1809756 0.6176483 -0.0000000), wk = 0.0027933 k( 36) = ( 0.1862984 0.6358144 -0.0000000), wk = 0.0027933 k( 37) = ( 0.1916212 0.6539805 -0.0000000), wk = 0.0027933 k( 38) = ( 0.1969440 0.6721467 -0.0000000), wk = 0.0027933 k( 39) = ( 0.2022668 0.6903128 -0.0000000), wk = 0.0027933 k( 40) = ( 0.2075896 0.7084789 -0.0000000), wk = 0.0027933 k( 41) = ( 0.2129124 0.7266450 -0.0000000), wk = 0.0027933 k( 42) = ( 0.2182352 0.7448112 -0.0000000), wk = 0.0027933 k( 43) = ( 0.2235581 0.7629773 -0.0000000), wk = 0.0027933 k( 44) = ( 0.2288809 0.7811434 -0.0000000), wk = 0.0027933 k( 45) = ( 0.2342037 0.7993095 -0.0000000), wk = 0.0027933 k( 46) = ( 0.2395265 0.8174757 -0.0000000), wk = 0.0027933 k( 47) = ( 0.2448493 0.8356418 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2501721 0.8538079 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2554949 0.8719740 -0.0000000), wk = 0.0027933 k( 50) = ( 0.2608177 0.8901401 -0.0000000), wk = 0.0027933 k( 51) = ( 0.2661405 0.9083063 -0.0000000), wk = 0.0027933 k( 52) = ( 0.2714633 0.9264724 -0.0000000), wk = 0.0027933 k( 53) = ( 0.2714633 0.9264724 -0.0000000), wk = 0.0027933 k( 54) = ( 0.2533658 0.9264724 -0.0000000), wk = 0.0027933 k( 55) = ( 0.2352682 0.9264724 -0.0000000), wk = 0.0027933 k( 56) = ( 0.2171707 0.9264724 -0.0000000), wk = 0.0027933 k( 57) = ( 0.1990731 0.9264724 -0.0000000), wk = 0.0027933 k( 58) = ( 0.1809756 0.9264724 -0.0000000), wk = 0.0027933 k( 59) = ( 0.1628780 0.9264724 -0.0000000), wk = 0.0027933 k( 60) = ( 0.1447805 0.9264724 -0.0000000), wk = 0.0027933 k( 61) = ( 0.1266829 0.9264724 -0.0000000), wk = 0.0027933 k( 62) = ( 0.1085853 0.9264724 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0904878 0.9264724 -0.0000000), wk = 0.0027933 k( 64) = ( 0.0723902 0.9264724 -0.0000000), wk = 0.0027933 k( 65) = ( 0.0542927 0.9264724 -0.0000000), wk = 0.0027933 k( 66) = ( 0.0361951 0.9264724 -0.0000000), wk = 0.0027933 k( 67) = ( 0.0180976 0.9264724 -0.0000000), wk = 0.0027933 k( 68) = ( 0.0000000 0.9264724 -0.0000000), wk = 0.0027933 k( 69) = ( 0.0000000 0.9264724 -0.0000000), wk = 0.0027933 k( 70) = ( 0.0000000 0.9264724 0.0185259), wk = 0.0027933 k( 71) = ( 0.0000000 0.9264724 0.0370517), wk = 0.0027933 k( 72) = ( 0.0000000 0.9264724 0.0555776), wk = 0.0027933 k( 73) = ( 0.0000000 0.9264724 0.0741034), wk = 0.0027933 k( 74) = ( 0.0000000 0.9264724 0.0926293), wk = 0.0027933 k( 75) = ( 0.0000000 0.9264724 0.1111551), wk = 0.0027933 k( 76) = ( 0.0000000 0.9264724 0.1296810), wk = 0.0027933 k( 77) = ( 0.0000000 0.9264724 0.1482068), wk = 0.0027933 k( 78) = ( 0.0000000 0.9264724 0.1667327), wk = 0.0027933 k( 79) = ( 0.0000000 0.9264724 0.1852585), wk = 0.0027933 k( 80) = ( 0.0000000 0.9264724 0.2037844), wk = 0.0027933 k( 81) = ( 0.0000000 0.9264724 0.2223102), wk = 0.0027933 k( 82) = ( 0.0000000 0.9264724 0.2408361), wk = 0.0027933 k( 83) = ( 0.0000000 0.9264724 0.2593619), wk = 0.0027933 k( 84) = ( 0.0000000 0.9264724 0.2778878), wk = 0.0027933 k( 85) = ( 0.0000000 0.9264724 0.2964136), wk = 0.0027933 k( 86) = ( 0.0000000 0.9264724 0.3149395), wk = 0.0027933 k( 87) = ( 0.0000000 0.9264724 0.3334653), wk = 0.0027933 k( 88) = ( 0.0000000 0.9264724 0.3334653), wk = 0.0027933 k( 89) = ( 0.0180976 0.9264724 0.3334653), wk = 0.0027933 k( 90) = ( 0.0361951 0.9264724 0.3334653), wk = 0.0027933 k( 91) = ( 0.0542927 0.9264724 0.3334653), wk = 0.0027933 k( 92) = ( 0.0723902 0.9264724 0.3334653), wk = 0.0027933 k( 93) = ( 0.0904878 0.9264724 0.3334653), wk = 0.0027933 k( 94) = ( 0.1085853 0.9264724 0.3334653), wk = 0.0027933 k( 95) = ( 0.1266829 0.9264724 0.3334653), wk = 0.0027933 k( 96) = ( 0.1447805 0.9264724 0.3334653), wk = 0.0027933 k( 97) = ( 0.1628780 0.9264724 0.3334653), wk = 0.0027933 k( 98) = ( 0.1809756 0.9264724 0.3334653), wk = 0.0027933 k( 99) = ( 0.1990731 0.9264724 0.3334653), wk = 0.0027933 k( 100) = ( 0.2171707 0.9264724 0.3334653), wk = 0.0027933 k( 101) = ( 0.2352682 0.9264724 0.3334653), wk = 0.0027933 k( 102) = ( 0.2533658 0.9264724 0.3334653), wk = 0.0027933 k( 103) = ( 0.2714633 0.9264724 0.3334653), wk = 0.0027933 k( 104) = ( 0.2714633 0.9264724 0.3334653), wk = 0.0027933 k( 105) = ( 0.2661405 0.9083063 0.3334653), wk = 0.0027933 k( 106) = ( 0.2608177 0.8901401 0.3334653), wk = 0.0027933 k( 107) = ( 0.2554949 0.8719740 0.3334653), wk = 0.0027933 k( 108) = ( 0.2501721 0.8538079 0.3334653), wk = 0.0027933 k( 109) = ( 0.2448493 0.8356418 0.3334653), wk = 0.0027933 k( 110) = ( 0.2395265 0.8174757 0.3334653), wk = 0.0027933 k( 111) = ( 0.2342037 0.7993095 0.3334653), wk = 0.0027933 k( 112) = ( 0.2288809 0.7811434 0.3334653), wk = 0.0027933 k( 113) = ( 0.2235581 0.7629773 0.3334653), wk = 0.0027933 k( 114) = ( 0.2182352 0.7448112 0.3334653), wk = 0.0027933 k( 115) = ( 0.2129124 0.7266450 0.3334653), wk = 0.0027933 k( 116) = ( 0.2075896 0.7084789 0.3334653), wk = 0.0027933 k( 117) = ( 0.2022668 0.6903128 0.3334653), wk = 0.0027933 k( 118) = ( 0.1969440 0.6721467 0.3334653), wk = 0.0027933 k( 119) = ( 0.1916212 0.6539805 0.3334653), wk = 0.0027933 k( 120) = ( 0.1862984 0.6358144 0.3334653), wk = 0.0027933 k( 121) = ( 0.1809756 0.6176483 0.3334653), wk = 0.0027933 k( 122) = ( 0.1756527 0.5994821 0.3334653), wk = 0.0027933 k( 123) = ( 0.1703299 0.5813160 0.3334653), wk = 0.0027933 k( 124) = ( 0.1650071 0.5631499 0.3334653), wk = 0.0027933 k( 125) = ( 0.1596843 0.5449838 0.3334653), wk = 0.0027933 k( 126) = ( 0.1543615 0.5268176 0.3334653), wk = 0.0027933 k( 127) = ( 0.1490387 0.5086515 0.3334653), wk = 0.0027933 k( 128) = ( 0.1437159 0.4904854 0.3334653), wk = 0.0027933 k( 129) = ( 0.1383931 0.4723193 0.3334653), wk = 0.0027933 k( 130) = ( 0.1330703 0.4541532 0.3334653), wk = 0.0027933 k( 131) = ( 0.1277475 0.4359870 0.3334653), wk = 0.0027933 k( 132) = ( 0.1224246 0.4178209 0.3334653), wk = 0.0027933 k( 133) = ( 0.1171018 0.3996548 0.3334653), wk = 0.0027933 k( 134) = ( 0.1117790 0.3814886 0.3334653), wk = 0.0027933 k( 135) = ( 0.1064562 0.3633225 0.3334653), wk = 0.0027933 k( 136) = ( 0.1011334 0.3451564 0.3334653), wk = 0.0027933 k( 137) = ( 0.0958106 0.3269903 0.3334653), wk = 0.0027933 k( 138) = ( 0.0904878 0.3088241 0.3334653), wk = 0.0027933 k( 139) = ( 0.0851650 0.2906580 0.3334653), wk = 0.0027933 k( 140) = ( 0.0798422 0.2724919 0.3334653), wk = 0.0027933 k( 141) = ( 0.0745193 0.2543258 0.3334653), wk = 0.0027933 k( 142) = ( 0.0691965 0.2361596 0.3334653), wk = 0.0027933 k( 143) = ( 0.0638737 0.2179935 0.3334653), wk = 0.0027933 k( 144) = ( 0.0585509 0.1998274 0.3334653), wk = 0.0027933 k( 145) = ( 0.0532281 0.1816613 0.3334653), wk = 0.0027933 k( 146) = ( 0.0479053 0.1634951 0.3334653), wk = 0.0027933 k( 147) = ( 0.0425825 0.1453290 0.3334653), wk = 0.0027933 k( 148) = ( 0.0372597 0.1271629 0.3334653), wk = 0.0027933 k( 149) = ( 0.0319369 0.1089967 0.3334653), wk = 0.0027933 k( 150) = ( 0.0266141 0.0908306 0.3334653), wk = 0.0027933 k( 151) = ( 0.0212912 0.0726645 0.3334653), wk = 0.0027933 k( 152) = ( 0.0159684 0.0544984 0.3334653), wk = 0.0027933 k( 153) = ( 0.0106456 0.0363322 0.3334653), wk = 0.0027933 k( 154) = ( 0.0053228 0.0181661 0.3334653), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.3334653), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3334653), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3149395), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.2964136), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.2778878), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.2593619), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.2408361), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.2223102), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2037844), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.1852585), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.1667327), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.1482068), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.1296810), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.1111551), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.0926293), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.0741034), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.0555776), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.0370517), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.0185259), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 176) = ( -0.0178571 0.0052323 -0.0000000), wk = 0.0027933 k( 177) = ( -0.0357143 0.0104646 -0.0000000), wk = 0.0027933 k( 178) = ( -0.0535714 0.0156968 -0.0000000), wk = 0.0027933 k( 179) = ( -0.0714286 0.0209291 0.0000000), wk = 0.0027933 k( 180) = ( -0.0892857 0.0261614 -0.0000000), wk = 0.0027933 k( 181) = ( -0.1071429 0.0313937 -0.0000000), wk = 0.0027933 k( 182) = ( -0.1250000 0.0366259 0.0000000), wk = 0.0027933 k( 183) = ( -0.1428571 0.0418582 0.0000000), wk = 0.0027933 k( 184) = ( -0.1607143 0.0470905 -0.0000000), wk = 0.0027933 k( 185) = ( -0.1785714 0.0523228 -0.0000000), wk = 0.0027933 k( 186) = ( -0.1964286 0.0575550 0.0000000), wk = 0.0027933 k( 187) = ( -0.2142857 0.0627873 0.0000000), wk = 0.0027933 k( 188) = ( -0.2321429 0.0680196 0.0000000), wk = 0.0027933 k( 189) = ( -0.2500000 0.0732519 0.0000000), wk = 0.0027933 k( 190) = ( -0.2678571 0.0784841 -0.0000000), wk = 0.0027933 k( 191) = ( -0.2857143 0.0837164 0.0000000), wk = 0.0027933 k( 192) = ( -0.3035714 0.0889487 -0.0000000), wk = 0.0027933 k( 193) = ( -0.3214286 0.0941810 0.0000000), wk = 0.0027933 k( 194) = ( -0.3392857 0.0994133 -0.0000000), wk = 0.0027933 k( 195) = ( -0.3571429 0.1046455 -0.0000000), wk = 0.0027933 k( 196) = ( -0.3750000 0.1098778 0.0000000), wk = 0.0027933 k( 197) = ( -0.3928571 0.1151101 0.0000000), wk = 0.0027933 k( 198) = ( -0.4107143 0.1203424 0.0000000), wk = 0.0027933 k( 199) = ( -0.4285714 0.1255746 0.0000000), wk = 0.0027933 k( 200) = ( -0.4464286 0.1308069 -0.0000000), wk = 0.0027933 k( 201) = ( -0.4642857 0.1360392 -0.0000000), wk = 0.0027933 k( 202) = ( -0.4821429 0.1412715 -0.0000000), wk = 0.0027933 k( 203) = ( -0.5000000 0.1465037 0.0000000), wk = 0.0027933 k( 204) = ( -0.5000000 0.1465037 0.0000000), wk = 0.0027933 k( 205) = ( -0.4946852 0.1646426 -0.0000000), wk = 0.0027933 k( 206) = ( -0.4893704 0.1827813 -0.0000000), wk = 0.0027933 k( 207) = ( -0.4840556 0.2009202 -0.0000000), wk = 0.0027933 k( 208) = ( -0.4787408 0.2190590 -0.0000000), wk = 0.0027933 k( 209) = ( -0.4734260 0.2371978 -0.0000000), wk = 0.0027933 k( 210) = ( -0.4681112 0.2553366 -0.0000000), wk = 0.0027933 k( 211) = ( -0.4627964 0.2734754 -0.0000000), wk = 0.0027933 k( 212) = ( -0.4574816 0.2916142 -0.0000000), wk = 0.0027933 k( 213) = ( -0.4521668 0.3097530 -0.0000000), wk = 0.0027933 k( 214) = ( -0.4468519 0.3278918 -0.0000000), wk = 0.0027933 k( 215) = ( -0.4415371 0.3460306 -0.0000000), wk = 0.0027933 k( 216) = ( -0.4362223 0.3641694 -0.0000000), wk = 0.0027933 k( 217) = ( -0.4309075 0.3823082 -0.0000000), wk = 0.0027933 k( 218) = ( -0.4255927 0.4004470 -0.0000000), wk = 0.0027933 k( 219) = ( -0.4202779 0.4185858 -0.0000000), wk = 0.0027933 k( 220) = ( -0.4149631 0.4367246 -0.0000000), wk = 0.0027933 k( 221) = ( -0.4096483 0.4548634 -0.0000000), wk = 0.0027933 k( 222) = ( -0.4043335 0.4730023 -0.0000000), wk = 0.0027933 k( 223) = ( -0.3990187 0.4911411 -0.0000000), wk = 0.0027933 k( 224) = ( -0.3937039 0.5092799 -0.0000000), wk = 0.0027933 k( 225) = ( -0.3883891 0.5274187 -0.0000000), wk = 0.0027933 k( 226) = ( -0.3830743 0.5455575 -0.0000000), wk = 0.0027933 k( 227) = ( -0.3777595 0.5636963 -0.0000000), wk = 0.0027933 k( 228) = ( -0.3724447 0.5818351 -0.0000000), wk = 0.0027933 k( 229) = ( -0.3671298 0.5999739 -0.0000000), wk = 0.0027933 k( 230) = ( -0.3618151 0.6181127 -0.0000000), wk = 0.0027933 k( 231) = ( -0.3565002 0.6362515 -0.0000000), wk = 0.0027933 k( 232) = ( -0.3511854 0.6543903 -0.0000000), wk = 0.0027933 k( 233) = ( -0.3458706 0.6725291 -0.0000000), wk = 0.0027933 k( 234) = ( -0.3405558 0.6906679 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3352410 0.7088067 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3299262 0.7269455 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3246114 0.7450844 -0.0000000), wk = 0.0027933 k( 238) = ( -0.3192966 0.7632232 -0.0000000), wk = 0.0027933 k( 239) = ( -0.3139818 0.7813620 -0.0000000), wk = 0.0027933 k( 240) = ( -0.3086670 0.7995008 -0.0000000), wk = 0.0027933 k( 241) = ( -0.3033522 0.8176396 -0.0000000), wk = 0.0027933 k( 242) = ( -0.2980374 0.8357784 -0.0000000), wk = 0.0027933 k( 243) = ( -0.2927226 0.8539172 -0.0000000), wk = 0.0027933 k( 244) = ( -0.2874078 0.8720560 -0.0000000), wk = 0.0027933 k( 245) = ( -0.2820930 0.8901948 -0.0000000), wk = 0.0027933 k( 246) = ( -0.2767782 0.9083336 -0.0000000), wk = 0.0027933 k( 247) = ( -0.2714633 0.9264724 -0.0000000), wk = 0.0027933 k( 248) = ( -0.2714633 0.9264724 -0.0000000), wk = 0.0027933 k( 249) = ( -0.2714633 0.9264724 0.0185259), wk = 0.0027933 k( 250) = ( -0.2714633 0.9264724 0.0370517), wk = 0.0027933 k( 251) = ( -0.2714633 0.9264724 0.0555776), wk = 0.0027933 k( 252) = ( -0.2714633 0.9264724 0.0741034), wk = 0.0027933 k( 253) = ( -0.2714633 0.9264724 0.0926293), wk = 0.0027933 k( 254) = ( -0.2714633 0.9264724 0.1111551), wk = 0.0027933 k( 255) = ( -0.2714633 0.9264724 0.1296810), wk = 0.0027933 k( 256) = ( -0.2714633 0.9264724 0.1482068), wk = 0.0027933 k( 257) = ( -0.2714633 0.9264724 0.1667327), wk = 0.0027933 k( 258) = ( -0.2714633 0.9264724 0.1852585), wk = 0.0027933 k( 259) = ( -0.2714633 0.9264724 0.2037844), wk = 0.0027933 k( 260) = ( -0.2714633 0.9264724 0.2223102), wk = 0.0027933 k( 261) = ( -0.2714633 0.9264724 0.2408361), wk = 0.0027933 k( 262) = ( -0.2714633 0.9264724 0.2593619), wk = 0.0027933 k( 263) = ( -0.2714633 0.9264724 0.2778878), wk = 0.0027933 k( 264) = ( -0.2714633 0.9264724 0.2964136), wk = 0.0027933 k( 265) = ( -0.2714633 0.9264724 0.3149395), wk = 0.0027933 k( 266) = ( -0.2714633 0.9264724 0.3334653), wk = 0.0027933 k( 267) = ( -0.2714633 0.9264724 0.3334653), wk = 0.0027933 k( 268) = ( -0.2767782 0.9083336 0.3334653), wk = 0.0027933 k( 269) = ( -0.2820930 0.8901948 0.3334653), wk = 0.0027933 k( 270) = ( -0.2874078 0.8720560 0.3334653), wk = 0.0027933 k( 271) = ( -0.2927226 0.8539172 0.3334653), wk = 0.0027933 k( 272) = ( -0.2980374 0.8357784 0.3334653), wk = 0.0027933 k( 273) = ( -0.3033522 0.8176396 0.3334653), wk = 0.0027933 k( 274) = ( -0.3086670 0.7995008 0.3334653), wk = 0.0027933 k( 275) = ( -0.3139818 0.7813620 0.3334653), wk = 0.0027933 k( 276) = ( -0.3192966 0.7632232 0.3334653), wk = 0.0027933 k( 277) = ( -0.3246114 0.7450844 0.3334653), wk = 0.0027933 k( 278) = ( -0.3299262 0.7269455 0.3334653), wk = 0.0027933 k( 279) = ( -0.3352410 0.7088067 0.3334653), wk = 0.0027933 k( 280) = ( -0.3405558 0.6906679 0.3334653), wk = 0.0027933 k( 281) = ( -0.3458706 0.6725291 0.3334653), wk = 0.0027933 k( 282) = ( -0.3511854 0.6543903 0.3334653), wk = 0.0027933 k( 283) = ( -0.3565002 0.6362515 0.3334653), wk = 0.0027933 k( 284) = ( -0.3618151 0.6181127 0.3334653), wk = 0.0027933 k( 285) = ( -0.3671298 0.5999739 0.3334653), wk = 0.0027933 k( 286) = ( -0.3724447 0.5818351 0.3334653), wk = 0.0027933 k( 287) = ( -0.3777595 0.5636963 0.3334653), wk = 0.0027933 k( 288) = ( -0.3830743 0.5455575 0.3334653), wk = 0.0027933 k( 289) = ( -0.3883891 0.5274187 0.3334653), wk = 0.0027933 k( 290) = ( -0.3937039 0.5092799 0.3334653), wk = 0.0027933 k( 291) = ( -0.3990187 0.4911411 0.3334653), wk = 0.0027933 k( 292) = ( -0.4043335 0.4730023 0.3334653), wk = 0.0027933 k( 293) = ( -0.4096483 0.4548634 0.3334653), wk = 0.0027933 k( 294) = ( -0.4149631 0.4367246 0.3334653), wk = 0.0027933 k( 295) = ( -0.4202779 0.4185858 0.3334653), wk = 0.0027933 k( 296) = ( -0.4255927 0.4004470 0.3334653), wk = 0.0027933 k( 297) = ( -0.4309075 0.3823082 0.3334653), wk = 0.0027933 k( 298) = ( -0.4362223 0.3641694 0.3334653), wk = 0.0027933 k( 299) = ( -0.4415371 0.3460306 0.3334653), wk = 0.0027933 k( 300) = ( -0.4468519 0.3278918 0.3334653), wk = 0.0027933 k( 301) = ( -0.4521668 0.3097530 0.3334653), wk = 0.0027933 k( 302) = ( -0.4574816 0.2916142 0.3334653), wk = 0.0027933 k( 303) = ( -0.4627964 0.2734754 0.3334653), wk = 0.0027933 k( 304) = ( -0.4681112 0.2553366 0.3334653), wk = 0.0027933 k( 305) = ( -0.4734260 0.2371978 0.3334653), wk = 0.0027933 k( 306) = ( -0.4787408 0.2190590 0.3334653), wk = 0.0027933 k( 307) = ( -0.4840556 0.2009202 0.3334653), wk = 0.0027933 k( 308) = ( -0.4893704 0.1827813 0.3334653), wk = 0.0027933 k( 309) = ( -0.4946852 0.1646426 0.3334653), wk = 0.0027933 k( 310) = ( -0.5000000 0.1465037 0.3334653), wk = 0.0027933 k( 311) = ( -0.5000000 0.1465037 0.3334653), wk = 0.0027933 k( 312) = ( -0.5000000 0.1465037 0.3149395), wk = 0.0027933 k( 313) = ( -0.5000000 0.1465037 0.2964136), wk = 0.0027933 k( 314) = ( -0.5000000 0.1465037 0.2778878), wk = 0.0027933 k( 315) = ( -0.5000000 0.1465037 0.2593619), wk = 0.0027933 k( 316) = ( -0.5000000 0.1465037 0.2408361), wk = 0.0027933 k( 317) = ( -0.5000000 0.1465037 0.2223102), wk = 0.0027933 k( 318) = ( -0.5000000 0.1465037 0.2037844), wk = 0.0027933 k( 319) = ( -0.5000000 0.1465037 0.1852585), wk = 0.0027933 k( 320) = ( -0.5000000 0.1465037 0.1667327), wk = 0.0027933 k( 321) = ( -0.5000000 0.1465037 0.1482068), wk = 0.0027933 k( 322) = ( -0.5000000 0.1465037 0.1296810), wk = 0.0027933 k( 323) = ( -0.5000000 0.1465037 0.1111551), wk = 0.0027933 k( 324) = ( -0.5000000 0.1465037 0.0926293), wk = 0.0027933 k( 325) = ( -0.5000000 0.1465037 0.0741034), wk = 0.0027933 k( 326) = ( -0.5000000 0.1465037 0.0555776), wk = 0.0027933 k( 327) = ( -0.5000000 0.1465037 0.0370517), wk = 0.0027933 k( 328) = ( -0.5000000 0.1465037 0.0185259), wk = 0.0027933 k( 329) = ( -0.5000000 0.1465037 0.0000000), wk = 0.0027933 k( 330) = ( 0.0000000 0.0000000 0.3334653), wk = 0.0027933 k( 331) = ( -0.0178571 0.0052323 0.3334653), wk = 0.0027933 k( 332) = ( -0.0357143 0.0104646 0.3334653), wk = 0.0027933 k( 333) = ( -0.0535714 0.0156968 0.3334653), wk = 0.0027933 k( 334) = ( -0.0714286 0.0209291 0.3334653), wk = 0.0027933 k( 335) = ( -0.0892857 0.0261614 0.3334653), wk = 0.0027933 k( 336) = ( -0.1071429 0.0313937 0.3334653), wk = 0.0027933 k( 337) = ( -0.1250000 0.0366259 0.3334653), wk = 0.0027933 k( 338) = ( -0.1428571 0.0418582 0.3334653), wk = 0.0027933 k( 339) = ( -0.1607143 0.0470905 0.3334653), wk = 0.0027933 k( 340) = ( -0.1785714 0.0523228 0.3334653), wk = 0.0027933 k( 341) = ( -0.1964286 0.0575550 0.3334653), wk = 0.0027933 k( 342) = ( -0.2142857 0.0627873 0.3334653), wk = 0.0027933 k( 343) = ( -0.2321429 0.0680196 0.3334653), wk = 0.0027933 k( 344) = ( -0.2500000 0.0732519 0.3334653), wk = 0.0027933 k( 345) = ( -0.2678571 0.0784841 0.3334653), wk = 0.0027933 k( 346) = ( -0.2857143 0.0837164 0.3334653), wk = 0.0027933 k( 347) = ( -0.3035714 0.0889487 0.3334653), wk = 0.0027933 k( 348) = ( -0.3214286 0.0941810 0.3334653), wk = 0.0027933 k( 349) = ( -0.3392857 0.0994133 0.3334653), wk = 0.0027933 k( 350) = ( -0.3571429 0.1046455 0.3334653), wk = 0.0027933 k( 351) = ( -0.3750000 0.1098778 0.3334653), wk = 0.0027933 k( 352) = ( -0.3928571 0.1151101 0.3334653), wk = 0.0027933 k( 353) = ( -0.4107143 0.1203424 0.3334653), wk = 0.0027933 k( 354) = ( -0.4285714 0.1255746 0.3334653), wk = 0.0027933 k( 355) = ( -0.4464286 0.1308069 0.3334653), wk = 0.0027933 k( 356) = ( -0.4642857 0.1360392 0.3334653), wk = 0.0027933 k( 357) = ( -0.4821429 0.1412715 0.3334653), wk = 0.0027933 k( 358) = ( -0.5000000 0.1465037 0.3334653), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0053228 0.0053228 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0106456 0.0106456 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0159684 0.0159684 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0212912 0.0212912 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0266141 0.0266140 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0319369 0.0319369 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0372597 0.0372597 0.0000000), wk = 0.0027933 k( 9) = ( 0.0425825 0.0425825 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0479053 0.0479053 0.0000000), wk = 0.0027933 k( 11) = ( 0.0532281 0.0532281 0.0000000), wk = 0.0027933 k( 12) = ( 0.0585509 0.0585509 -0.0000000), wk = 0.0027933 k( 13) = ( 0.0638737 0.0638737 -0.0000000), wk = 0.0027933 k( 14) = ( 0.0691965 0.0691965 0.0000000), wk = 0.0027933 k( 15) = ( 0.0745193 0.0745193 0.0000000), wk = 0.0027933 k( 16) = ( 0.0798422 0.0798422 -0.0000000), wk = 0.0027933 k( 17) = ( 0.0851650 0.0851650 0.0000000), wk = 0.0027933 k( 18) = ( 0.0904878 0.0904878 0.0000000), wk = 0.0027933 k( 19) = ( 0.0958106 0.0958106 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1011334 0.1011334 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1064562 0.1064562 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1117790 0.1117790 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1171018 0.1171018 -0.0000000), wk = 0.0027933 k( 24) = ( 0.1224246 0.1224246 0.0000000), wk = 0.0027933 k( 25) = ( 0.1277475 0.1277475 -0.0000000), wk = 0.0027933 k( 26) = ( 0.1330703 0.1330703 -0.0000000), wk = 0.0027933 k( 27) = ( 0.1383931 0.1383931 0.0000000), wk = 0.0027933 k( 28) = ( 0.1437159 0.1437159 -0.0000000), wk = 0.0027933 k( 29) = ( 0.1490387 0.1490387 0.0000000), wk = 0.0027933 k( 30) = ( 0.1543615 0.1543615 -0.0000000), wk = 0.0027933 k( 31) = ( 0.1596843 0.1596843 -0.0000000), wk = 0.0027933 k( 32) = ( 0.1650071 0.1650071 0.0000000), wk = 0.0027933 k( 33) = ( 0.1703299 0.1703299 0.0000000), wk = 0.0027933 k( 34) = ( 0.1756527 0.1756527 0.0000000), wk = 0.0027933 k( 35) = ( 0.1809756 0.1809756 0.0000000), wk = 0.0027933 k( 36) = ( 0.1862984 0.1862984 -0.0000000), wk = 0.0027933 k( 37) = ( 0.1916212 0.1916212 -0.0000000), wk = 0.0027933 k( 38) = ( 0.1969440 0.1969440 0.0000000), wk = 0.0027933 k( 39) = ( 0.2022668 0.2022668 -0.0000000), wk = 0.0027933 k( 40) = ( 0.2075896 0.2075896 -0.0000000), wk = 0.0027933 k( 41) = ( 0.2129124 0.2129124 -0.0000000), wk = 0.0027933 k( 42) = ( 0.2182352 0.2182352 -0.0000000), wk = 0.0027933 k( 43) = ( 0.2235581 0.2235580 -0.0000000), wk = 0.0027933 k( 44) = ( 0.2288809 0.2288809 -0.0000000), wk = 0.0027933 k( 45) = ( 0.2342037 0.2342037 -0.0000000), wk = 0.0027933 k( 46) = ( 0.2395265 0.2395265 -0.0000000), wk = 0.0027933 k( 47) = ( 0.2448493 0.2448493 0.0000000), wk = 0.0027933 k( 48) = ( 0.2501721 0.2501721 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2554949 0.2554949 -0.0000000), wk = 0.0027933 k( 50) = ( 0.2608177 0.2608177 0.0000000), wk = 0.0027933 k( 51) = ( 0.2661405 0.2661405 -0.0000000), wk = 0.0027933 k( 52) = ( 0.2714633 0.2714633 -0.0000000), wk = 0.0027933 k( 53) = ( 0.2714633 0.2714633 -0.0000000), wk = 0.0027933 k( 54) = ( 0.2533658 0.2866991 -0.0000000), wk = 0.0027933 k( 55) = ( 0.2352682 0.3019349 -0.0000000), wk = 0.0027933 k( 56) = ( 0.2171707 0.3171707 -0.0000000), wk = 0.0027933 k( 57) = ( 0.1990731 0.3324064 -0.0000000), wk = 0.0027933 k( 58) = ( 0.1809756 0.3476422 0.0000000), wk = 0.0027933 k( 59) = ( 0.1628780 0.3628780 -0.0000000), wk = 0.0027933 k( 60) = ( 0.1447805 0.3781138 0.0000000), wk = 0.0027933 k( 61) = ( 0.1266829 0.3933496 0.0000000), wk = 0.0027933 k( 62) = ( 0.1085853 0.4085853 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0904878 0.4238211 -0.0000000), wk = 0.0027933 k( 64) = ( 0.0723902 0.4390569 0.0000000), wk = 0.0027933 k( 65) = ( 0.0542927 0.4542927 0.0000000), wk = 0.0027933 k( 66) = ( 0.0361951 0.4695284 0.0000000), wk = 0.0027933 k( 67) = ( 0.0180976 0.4847642 0.0000000), wk = 0.0027933 k( 68) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 69) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 70) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0027933 k( 71) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027933 k( 72) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027933 k( 73) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027933 k( 74) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0027933 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027933 k( 76) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0027933 k( 77) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027933 k( 78) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027933 k( 79) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027933 k( 80) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0027933 k( 81) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027933 k( 82) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0027933 k( 83) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 89) = ( 0.0180976 0.4847642 0.5000000), wk = 0.0027933 k( 90) = ( 0.0361951 0.4695284 0.5000000), wk = 0.0027933 k( 91) = ( 0.0542927 0.4542927 0.5000000), wk = 0.0027933 k( 92) = ( 0.0723902 0.4390569 0.5000000), wk = 0.0027933 k( 93) = ( 0.0904878 0.4238211 0.5000000), wk = 0.0027933 k( 94) = ( 0.1085853 0.4085853 0.5000000), wk = 0.0027933 k( 95) = ( 0.1266829 0.3933496 0.5000000), wk = 0.0027933 k( 96) = ( 0.1447805 0.3781138 0.5000000), wk = 0.0027933 k( 97) = ( 0.1628780 0.3628780 0.5000000), wk = 0.0027933 k( 98) = ( 0.1809756 0.3476422 0.5000000), wk = 0.0027933 k( 99) = ( 0.1990731 0.3324064 0.5000000), wk = 0.0027933 k( 100) = ( 0.2171707 0.3171707 0.5000000), wk = 0.0027933 k( 101) = ( 0.2352682 0.3019349 0.5000000), wk = 0.0027933 k( 102) = ( 0.2533658 0.2866991 0.5000000), wk = 0.0027933 k( 103) = ( 0.2714633 0.2714633 0.5000000), wk = 0.0027933 k( 104) = ( 0.2714633 0.2714633 0.5000000), wk = 0.0027933 k( 105) = ( 0.2661405 0.2661405 0.5000000), wk = 0.0027933 k( 106) = ( 0.2608177 0.2608177 0.5000000), wk = 0.0027933 k( 107) = ( 0.2554949 0.2554949 0.5000000), wk = 0.0027933 k( 108) = ( 0.2501721 0.2501721 0.5000000), wk = 0.0027933 k( 109) = ( 0.2448493 0.2448493 0.5000000), wk = 0.0027933 k( 110) = ( 0.2395265 0.2395265 0.5000000), wk = 0.0027933 k( 111) = ( 0.2342037 0.2342037 0.5000000), wk = 0.0027933 k( 112) = ( 0.2288809 0.2288809 0.5000000), wk = 0.0027933 k( 113) = ( 0.2235581 0.2235580 0.5000000), wk = 0.0027933 k( 114) = ( 0.2182352 0.2182352 0.5000000), wk = 0.0027933 k( 115) = ( 0.2129124 0.2129124 0.5000000), wk = 0.0027933 k( 116) = ( 0.2075896 0.2075896 0.5000000), wk = 0.0027933 k( 117) = ( 0.2022668 0.2022668 0.5000000), wk = 0.0027933 k( 118) = ( 0.1969440 0.1969440 0.5000000), wk = 0.0027933 k( 119) = ( 0.1916212 0.1916212 0.5000000), wk = 0.0027933 k( 120) = ( 0.1862984 0.1862984 0.5000000), wk = 0.0027933 k( 121) = ( 0.1809756 0.1809756 0.5000000), wk = 0.0027933 k( 122) = ( 0.1756527 0.1756527 0.5000000), wk = 0.0027933 k( 123) = ( 0.1703299 0.1703299 0.5000000), wk = 0.0027933 k( 124) = ( 0.1650071 0.1650071 0.5000000), wk = 0.0027933 k( 125) = ( 0.1596843 0.1596843 0.5000000), wk = 0.0027933 k( 126) = ( 0.1543615 0.1543615 0.5000000), wk = 0.0027933 k( 127) = ( 0.1490387 0.1490387 0.5000000), wk = 0.0027933 k( 128) = ( 0.1437159 0.1437159 0.5000000), wk = 0.0027933 k( 129) = ( 0.1383931 0.1383931 0.5000000), wk = 0.0027933 k( 130) = ( 0.1330703 0.1330703 0.5000000), wk = 0.0027933 k( 131) = ( 0.1277475 0.1277475 0.5000000), wk = 0.0027933 k( 132) = ( 0.1224246 0.1224246 0.5000000), wk = 0.0027933 k( 133) = ( 0.1171018 0.1171018 0.5000000), wk = 0.0027933 k( 134) = ( 0.1117790 0.1117790 0.5000000), wk = 0.0027933 k( 135) = ( 0.1064562 0.1064562 0.5000000), wk = 0.0027933 k( 136) = ( 0.1011334 0.1011334 0.5000000), wk = 0.0027933 k( 137) = ( 0.0958106 0.0958106 0.5000000), wk = 0.0027933 k( 138) = ( 0.0904878 0.0904878 0.5000000), wk = 0.0027933 k( 139) = ( 0.0851650 0.0851650 0.5000000), wk = 0.0027933 k( 140) = ( 0.0798422 0.0798422 0.5000000), wk = 0.0027933 k( 141) = ( 0.0745193 0.0745193 0.5000000), wk = 0.0027933 k( 142) = ( 0.0691965 0.0691965 0.5000000), wk = 0.0027933 k( 143) = ( 0.0638737 0.0638737 0.5000000), wk = 0.0027933 k( 144) = ( 0.0585509 0.0585509 0.5000000), wk = 0.0027933 k( 145) = ( 0.0532281 0.0532281 0.5000000), wk = 0.0027933 k( 146) = ( 0.0479053 0.0479053 0.5000000), wk = 0.0027933 k( 147) = ( 0.0425825 0.0425825 0.5000000), wk = 0.0027933 k( 148) = ( 0.0372597 0.0372597 0.5000000), wk = 0.0027933 k( 149) = ( 0.0319369 0.0319369 0.5000000), wk = 0.0027933 k( 150) = ( 0.0266141 0.0266140 0.5000000), wk = 0.0027933 k( 151) = ( 0.0212912 0.0212912 0.5000000), wk = 0.0027933 k( 152) = ( 0.0159684 0.0159684 0.5000000), wk = 0.0027933 k( 153) = ( 0.0106456 0.0106456 0.5000000), wk = 0.0027933 k( 154) = ( 0.0053228 0.0053228 0.5000000), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 176) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0027933 k( 177) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0027933 k( 178) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0027933 k( 179) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0027933 k( 180) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0027933 k( 181) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0027933 k( 182) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0027933 k( 183) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0027933 k( 184) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0027933 k( 185) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0027933 k( 186) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0027933 k( 187) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0027933 k( 188) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0027933 k( 189) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0027933 k( 190) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0027933 k( 191) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0027933 k( 192) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0027933 k( 193) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0027933 k( 194) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0027933 k( 195) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0027933 k( 196) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0027933 k( 197) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0027933 k( 198) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0027933 k( 199) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0027933 k( 200) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0027933 k( 201) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0027933 k( 202) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0027933 k( 203) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 204) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 205) = ( -0.4946852 0.5053148 -0.0000000), wk = 0.0027933 k( 206) = ( -0.4893704 0.5106296 0.0000000), wk = 0.0027933 k( 207) = ( -0.4840556 0.5159444 -0.0000000), wk = 0.0027933 k( 208) = ( -0.4787408 0.5212592 0.0000000), wk = 0.0027933 k( 209) = ( -0.4734260 0.5265740 0.0000000), wk = 0.0027933 k( 210) = ( -0.4681112 0.5318888 0.0000000), wk = 0.0027933 k( 211) = ( -0.4627964 0.5372036 -0.0000000), wk = 0.0027933 k( 212) = ( -0.4574816 0.5425184 0.0000000), wk = 0.0027933 k( 213) = ( -0.4521668 0.5478333 0.0000000), wk = 0.0027933 k( 214) = ( -0.4468519 0.5531481 0.0000000), wk = 0.0027933 k( 215) = ( -0.4415371 0.5584629 0.0000000), wk = 0.0027933 k( 216) = ( -0.4362223 0.5637777 0.0000000), wk = 0.0027933 k( 217) = ( -0.4309075 0.5690925 0.0000000), wk = 0.0027933 k( 218) = ( -0.4255927 0.5744073 0.0000000), wk = 0.0027933 k( 219) = ( -0.4202779 0.5797221 0.0000000), wk = 0.0027933 k( 220) = ( -0.4149631 0.5850369 0.0000000), wk = 0.0027933 k( 221) = ( -0.4096483 0.5903517 -0.0000000), wk = 0.0027933 k( 222) = ( -0.4043335 0.5956665 0.0000000), wk = 0.0027933 k( 223) = ( -0.3990187 0.6009813 -0.0000000), wk = 0.0027933 k( 224) = ( -0.3937039 0.6062961 0.0000000), wk = 0.0027933 k( 225) = ( -0.3883891 0.6116109 -0.0000000), wk = 0.0027933 k( 226) = ( -0.3830743 0.6169257 0.0000000), wk = 0.0027933 k( 227) = ( -0.3777595 0.6222405 0.0000000), wk = 0.0027933 k( 228) = ( -0.3724447 0.6275553 -0.0000000), wk = 0.0027933 k( 229) = ( -0.3671298 0.6328702 0.0000000), wk = 0.0027933 k( 230) = ( -0.3618151 0.6381849 0.0000000), wk = 0.0027933 k( 231) = ( -0.3565002 0.6434998 0.0000000), wk = 0.0027933 k( 232) = ( -0.3511854 0.6488146 0.0000000), wk = 0.0027933 k( 233) = ( -0.3458706 0.6541294 0.0000000), wk = 0.0027933 k( 234) = ( -0.3405558 0.6594442 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3352410 0.6647590 0.0000000), wk = 0.0027933 k( 236) = ( -0.3299262 0.6700738 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3246114 0.6753886 0.0000000), wk = 0.0027933 k( 238) = ( -0.3192966 0.6807034 -0.0000000), wk = 0.0027933 k( 239) = ( -0.3139818 0.6860182 0.0000000), wk = 0.0027933 k( 240) = ( -0.3086670 0.6913330 0.0000000), wk = 0.0027933 k( 241) = ( -0.3033522 0.6966478 0.0000000), wk = 0.0027933 k( 242) = ( -0.2980374 0.7019626 0.0000000), wk = 0.0027933 k( 243) = ( -0.2927226 0.7072774 0.0000000), wk = 0.0027933 k( 244) = ( -0.2874078 0.7125922 0.0000000), wk = 0.0027933 k( 245) = ( -0.2820930 0.7179070 -0.0000000), wk = 0.0027933 k( 246) = ( -0.2767782 0.7232219 0.0000000), wk = 0.0027933 k( 247) = ( -0.2714633 0.7285367 0.0000000), wk = 0.0027933 k( 248) = ( -0.2714633 0.7285367 0.0000000), wk = 0.0027933 k( 249) = ( -0.2714633 0.7285367 0.0277778), wk = 0.0027933 k( 250) = ( -0.2714633 0.7285367 0.0555556), wk = 0.0027933 k( 251) = ( -0.2714633 0.7285367 0.0833333), wk = 0.0027933 k( 252) = ( -0.2714633 0.7285367 0.1111111), wk = 0.0027933 k( 253) = ( -0.2714633 0.7285367 0.1388889), wk = 0.0027933 k( 254) = ( -0.2714633 0.7285367 0.1666667), wk = 0.0027933 k( 255) = ( -0.2714633 0.7285367 0.1944444), wk = 0.0027933 k( 256) = ( -0.2714633 0.7285367 0.2222222), wk = 0.0027933 k( 257) = ( -0.2714633 0.7285367 0.2500000), wk = 0.0027933 k( 258) = ( -0.2714633 0.7285367 0.2777778), wk = 0.0027933 k( 259) = ( -0.2714633 0.7285367 0.3055556), wk = 0.0027933 k( 260) = ( -0.2714633 0.7285367 0.3333333), wk = 0.0027933 k( 261) = ( -0.2714633 0.7285367 0.3611111), wk = 0.0027933 k( 262) = ( -0.2714633 0.7285367 0.3888889), wk = 0.0027933 k( 263) = ( -0.2714633 0.7285367 0.4166667), wk = 0.0027933 k( 264) = ( -0.2714633 0.7285367 0.4444444), wk = 0.0027933 k( 265) = ( -0.2714633 0.7285367 0.4722222), wk = 0.0027933 k( 266) = ( -0.2714633 0.7285367 0.5000000), wk = 0.0027933 k( 267) = ( -0.2714633 0.7285367 0.5000000), wk = 0.0027933 k( 268) = ( -0.2767782 0.7232219 0.5000000), wk = 0.0027933 k( 269) = ( -0.2820930 0.7179070 0.5000000), wk = 0.0027933 k( 270) = ( -0.2874078 0.7125922 0.5000000), wk = 0.0027933 k( 271) = ( -0.2927226 0.7072774 0.5000000), wk = 0.0027933 k( 272) = ( -0.2980374 0.7019626 0.5000000), wk = 0.0027933 k( 273) = ( -0.3033522 0.6966478 0.5000000), wk = 0.0027933 k( 274) = ( -0.3086670 0.6913330 0.5000000), wk = 0.0027933 k( 275) = ( -0.3139818 0.6860182 0.5000000), wk = 0.0027933 k( 276) = ( -0.3192966 0.6807034 0.5000000), wk = 0.0027933 k( 277) = ( -0.3246114 0.6753886 0.5000000), wk = 0.0027933 k( 278) = ( -0.3299262 0.6700738 0.5000000), wk = 0.0027933 k( 279) = ( -0.3352410 0.6647590 0.5000000), wk = 0.0027933 k( 280) = ( -0.3405558 0.6594442 0.5000000), wk = 0.0027933 k( 281) = ( -0.3458706 0.6541294 0.5000000), wk = 0.0027933 k( 282) = ( -0.3511854 0.6488146 0.5000000), wk = 0.0027933 k( 283) = ( -0.3565002 0.6434998 0.5000000), wk = 0.0027933 k( 284) = ( -0.3618151 0.6381849 0.5000000), wk = 0.0027933 k( 285) = ( -0.3671298 0.6328702 0.5000000), wk = 0.0027933 k( 286) = ( -0.3724447 0.6275553 0.5000000), wk = 0.0027933 k( 287) = ( -0.3777595 0.6222405 0.5000000), wk = 0.0027933 k( 288) = ( -0.3830743 0.6169257 0.5000000), wk = 0.0027933 k( 289) = ( -0.3883891 0.6116109 0.5000000), wk = 0.0027933 k( 290) = ( -0.3937039 0.6062961 0.5000000), wk = 0.0027933 k( 291) = ( -0.3990187 0.6009813 0.5000000), wk = 0.0027933 k( 292) = ( -0.4043335 0.5956665 0.5000000), wk = 0.0027933 k( 293) = ( -0.4096483 0.5903517 0.5000000), wk = 0.0027933 k( 294) = ( -0.4149631 0.5850369 0.5000000), wk = 0.0027933 k( 295) = ( -0.4202779 0.5797221 0.5000000), wk = 0.0027933 k( 296) = ( -0.4255927 0.5744073 0.5000000), wk = 0.0027933 k( 297) = ( -0.4309075 0.5690925 0.5000000), wk = 0.0027933 k( 298) = ( -0.4362223 0.5637777 0.5000000), wk = 0.0027933 k( 299) = ( -0.4415371 0.5584629 0.5000000), wk = 0.0027933 k( 300) = ( -0.4468519 0.5531481 0.5000000), wk = 0.0027933 k( 301) = ( -0.4521668 0.5478333 0.5000000), wk = 0.0027933 k( 302) = ( -0.4574816 0.5425184 0.5000000), wk = 0.0027933 k( 303) = ( -0.4627964 0.5372036 0.5000000), wk = 0.0027933 k( 304) = ( -0.4681112 0.5318888 0.5000000), wk = 0.0027933 k( 305) = ( -0.4734260 0.5265740 0.5000000), wk = 0.0027933 k( 306) = ( -0.4787408 0.5212592 0.5000000), wk = 0.0027933 k( 307) = ( -0.4840556 0.5159444 0.5000000), wk = 0.0027933 k( 308) = ( -0.4893704 0.5106296 0.5000000), wk = 0.0027933 k( 309) = ( -0.4946852 0.5053148 0.5000000), wk = 0.0027933 k( 310) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 311) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 312) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0027933 k( 313) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0027933 k( 314) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0027933 k( 315) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0027933 k( 316) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0027933 k( 317) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0027933 k( 318) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0027933 k( 319) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0027933 k( 320) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027933 k( 321) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0027933 k( 322) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0027933 k( 323) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0027933 k( 324) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0027933 k( 325) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0027933 k( 326) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0027933 k( 327) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0027933 k( 328) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0027933 k( 329) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 331) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0027933 k( 332) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0027933 k( 333) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0027933 k( 334) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0027933 k( 335) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0027933 k( 336) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0027933 k( 337) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0027933 k( 338) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0027933 k( 339) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0027933 k( 340) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0027933 k( 341) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0027933 k( 342) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0027933 k( 343) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0027933 k( 344) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027933 k( 345) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0027933 k( 346) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0027933 k( 347) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0027933 k( 348) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0027933 k( 349) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0027933 k( 350) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0027933 k( 351) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0027933 k( 352) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0027933 k( 353) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0027933 k( 354) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0027933 k( 355) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0027933 k( 356) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0027933 k( 357) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 114079 G-vectors FFT dimensions: ( 72, 72, 100) Smooth grid: 56123 G-vectors FFT dimensions: ( 54, 54, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 396, 48) NL pseudopotentials 0.58 Mb ( 198, 192) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.02 Mb ( 3169) G-vector shells 0.01 Mb ( 1602) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 396, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.28 Mb ( 192, 2, 48) The potential is recalculated from file : ./Zr3AlN.save/charge-density.dat Starting wfc are 140 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 8.0 secs Computing kpt #: 4 total cpu time spent up to now is 10.2 secs Computing kpt #: 5 total cpu time spent up to now is 12.5 secs Computing kpt #: 6 total cpu time spent up to now is 14.6 secs Computing kpt #: 7 total cpu time spent up to now is 16.6 secs Computing kpt #: 8 total cpu time spent up to now is 18.3 secs Computing kpt #: 9 total cpu time spent up to now is 19.8 secs Computing kpt #: 10 total cpu time spent up to now is 21.2 secs Computing kpt #: 11 total cpu time spent up to now is 22.5 secs Computing kpt #: 12 total cpu time spent up to now is 23.8 secs Computing kpt #: 13 total cpu time spent up to now is 25.1 secs Computing kpt #: 14 total cpu time spent up to now is 26.4 secs Computing kpt #: 15 total cpu time spent up to now is 27.8 secs Computing kpt #: 16 total cpu time spent up to now is 29.3 secs Computing kpt #: 17 total cpu time spent up to now is 31.4 secs Computing kpt #: 18 total cpu time spent up to now is 33.0 secs Computing kpt #: 19 total cpu time spent up to now is 34.3 secs Computing kpt #: 20 total cpu time spent up to now is 35.7 secs Computing kpt #: 21 total cpu time spent up to now is 37.1 secs Computing kpt #: 22 total cpu time spent up to now is 38.5 secs Computing kpt #: 23 total cpu time spent up to now is 40.4 secs Computing kpt #: 24 total cpu time spent up to now is 42.1 secs Computing kpt #: 25 total cpu time spent up to now is 43.6 secs Computing kpt #: 26 total cpu time spent up to now is 44.8 secs Computing kpt #: 27 total cpu time spent up to now is 46.1 secs Computing kpt #: 28 total cpu time spent up to now is 47.3 secs Computing kpt #: 29 total cpu time spent up to now is 48.4 secs Computing kpt #: 30 total cpu time spent up to now is 49.6 secs Computing kpt #: 31 total cpu time spent up to now is 50.7 secs Computing kpt #: 32 total cpu time spent up to now is 51.8 secs Computing kpt #: 33 total cpu time spent up to now is 53.0 secs Computing kpt #: 34 total cpu time spent up to now is 54.1 secs Computing kpt #: 35 total cpu time spent up to now is 55.2 secs Computing kpt #: 36 total cpu time spent up to now is 56.3 secs Computing kpt #: 37 total cpu time spent up to now is 57.4 secs Computing kpt #: 38 total cpu time spent up to now is 58.5 secs Computing kpt #: 39 total cpu time spent up to now is 59.5 secs Computing kpt #: 40 total cpu time spent up to now is 60.5 secs Computing kpt #: 41 total cpu time spent up to now is 61.5 secs Computing kpt #: 42 total cpu time spent up to now is 62.5 secs Computing kpt #: 43 total cpu time spent up to now is 63.5 secs Computing kpt #: 44 total cpu time spent up to now is 64.5 secs Computing kpt #: 45 total cpu time spent up to now is 65.4 secs Computing kpt #: 46 total cpu time spent up to now is 66.4 secs Computing kpt #: 47 total cpu time spent up to now is 67.4 secs Computing kpt #: 48 total cpu time spent up to now is 68.4 secs Computing kpt #: 49 total cpu time spent up to now is 69.4 secs Computing kpt #: 50 total cpu time spent up to now is 70.4 secs Computing kpt #: 51 total cpu time spent up to now is 71.4 secs Computing kpt #: 52 total cpu time spent up to now is 72.3 secs Computing kpt #: 53 total cpu time spent up to now is 73.3 secs Computing kpt #: 54 total cpu time spent up to now is 74.3 secs Computing kpt #: 55 total cpu time spent up to now is 75.3 secs Computing kpt #: 56 total cpu time spent up to now is 76.3 secs Computing kpt #: 57 total cpu time spent up to now is 77.3 secs Computing kpt #: 58 total cpu time spent up to now is 78.3 secs Computing kpt #: 59 total cpu time spent up to now is 79.4 secs Computing kpt #: 60 total cpu time spent up to now is 80.5 secs Computing kpt #: 61 total cpu time spent up to now is 81.6 secs Computing kpt #: 62 total cpu time spent up to now is 82.7 secs Computing kpt #: 63 total cpu time spent up to now is 83.9 secs Computing kpt #: 64 total cpu time spent up to now is 85.0 secs Computing kpt #: 65 total cpu time spent up to now is 86.1 secs Computing kpt #: 66 total cpu time spent up to now is 87.3 secs Computing kpt #: 67 total cpu time spent up to now is 88.4 secs Computing kpt #: 68 total cpu time spent up to now is 89.5 secs Computing kpt #: 69 total cpu time spent up to now is 90.6 secs Computing kpt #: 70 total cpu time spent up to now is 91.7 secs Computing kpt #: 71 total cpu time spent up to now is 92.8 secs Computing kpt #: 72 total cpu time spent up to now is 94.0 secs Computing kpt #: 73 total cpu time spent up to now is 95.2 secs Computing kpt #: 74 total cpu time spent up to now is 96.4 secs Computing kpt #: 75 total cpu time spent up to now is 97.6 secs Computing kpt #: 76 total cpu time spent up to now is 98.8 secs Computing kpt #: 77 total cpu time spent up to now is 100.1 secs Computing kpt #: 78 total cpu time spent up to now is 101.3 secs Computing kpt #: 79 total cpu time spent up to now is 102.6 secs Computing kpt #: 80 total cpu time spent up to now is 104.0 secs Computing kpt #: 81 total cpu time spent up to now is 105.4 secs Computing kpt #: 82 total cpu time spent up to now is 106.7 secs Computing kpt #: 83 total cpu time spent up to now is 107.9 secs Computing kpt #: 84 total cpu time spent up to now is 109.2 secs Computing kpt #: 85 total cpu time spent up to now is 110.4 secs Computing kpt #: 86 total cpu time spent up to now is 111.7 secs Computing kpt #: 87 total cpu time spent up to now is 112.9 secs Computing kpt #: 88 total cpu time spent up to now is 114.1 secs Computing kpt #: 89 total cpu time spent up to now is 115.4 secs Computing kpt #: 90 total cpu time spent up to now is 116.6 secs Computing kpt #: 91 total cpu time spent up to now is 117.8 secs Computing kpt #: 92 total cpu time spent up to now is 119.1 secs Computing kpt #: 93 total cpu time spent up to now is 120.3 secs Computing kpt #: 94 total cpu time spent up to now is 121.5 secs Computing kpt #: 95 total cpu time spent up to now is 122.7 secs Computing kpt #: 96 total cpu time spent up to now is 123.9 secs Computing kpt #: 97 total cpu time spent up to now is 125.1 secs Computing kpt #: 98 total cpu time spent up to now is 126.3 secs Computing kpt #: 99 total cpu time spent up to now is 127.5 secs Computing kpt #: 100 total cpu time spent up to now is 128.8 secs Computing kpt #: 101 total cpu time spent up to now is 130.0 secs Computing kpt #: 102 total cpu time spent up to now is 131.1 secs Computing kpt #: 103 total cpu time spent up to now is 132.3 secs Computing kpt #: 104 total cpu time spent up to now is 133.5 secs Computing kpt #: 105 total cpu time spent up to now is 134.7 secs Computing kpt #: 106 total cpu time spent up to now is 135.9 secs Computing kpt #: 107 total cpu time spent up to now is 137.2 secs Computing kpt #: 108 total cpu time spent up to now is 138.4 secs Computing kpt #: 109 total cpu time spent up to now is 139.7 secs Computing kpt #: 110 total cpu time spent up to now is 141.0 secs Computing kpt #: 111 total cpu time spent up to now is 142.3 secs Computing kpt #: 112 total cpu time spent up to now is 143.6 secs Computing kpt #: 113 total cpu time spent up to now is 145.0 secs Computing kpt #: 114 total cpu time spent up to now is 146.3 secs Computing kpt #: 115 total cpu time spent up to now is 147.6 secs Computing kpt #: 116 total cpu time spent up to now is 148.9 secs Computing kpt #: 117 total cpu time spent up to now is 150.2 secs Computing kpt #: 118 total cpu time spent up to now is 151.5 secs Computing kpt #: 119 total cpu time spent up to now is 152.8 secs Computing kpt #: 120 total cpu time spent up to now is 154.1 secs Computing kpt #: 121 total cpu time spent up to now is 155.4 secs Computing kpt #: 122 total cpu time spent up to now is 156.6 secs Computing kpt #: 123 total cpu time spent up to now is 157.9 secs Computing kpt #: 124 total cpu time spent up to now is 159.1 secs Computing kpt #: 125 total cpu time spent up to now is 160.3 secs Computing kpt #: 126 total cpu time spent up to now is 161.5 secs Computing kpt #: 127 total cpu time spent up to now is 162.7 secs Computing kpt #: 128 total cpu time spent up to now is 163.9 secs Computing kpt #: 129 total cpu time spent up to now is 165.1 secs Computing kpt #: 130 total cpu time spent up to now is 166.4 secs Computing kpt #: 131 total cpu time spent up to now is 167.6 secs Computing kpt #: 132 total cpu time spent up to now is 168.9 secs Computing kpt #: 133 total cpu time spent up to now is 170.5 secs Computing kpt #: 134 total cpu time spent up to now is 172.0 secs Computing kpt #: 135 total cpu time spent up to now is 173.3 secs Computing kpt #: 136 total cpu time spent up to now is 174.8 secs Computing kpt #: 137 total cpu time spent up to now is 176.4 secs Computing kpt #: 138 total cpu time spent up to now is 177.8 secs Computing kpt #: 139 total cpu time spent up to now is 179.3 secs Computing kpt #: 140 total cpu time spent up to now is 180.8 secs Computing kpt #: 141 total cpu time spent up to now is 182.2 secs Computing kpt #: 142 total cpu time spent up to now is 183.6 secs Computing kpt #: 143 total cpu time spent up to now is 185.0 secs Computing kpt #: 144 total cpu time spent up to now is 186.4 secs Computing kpt #: 145 total cpu time spent up to now is 187.8 secs Computing kpt #: 146 total cpu time spent up to now is 189.3 secs Computing kpt #: 147 total cpu time spent up to now is 190.8 secs Computing kpt #: 148 total cpu time spent up to now is 192.4 secs Computing kpt #: 149 total cpu time spent up to now is 194.0 secs Computing kpt #: 150 total cpu time spent up to now is 195.5 secs Computing kpt #: 151 total cpu time spent up to now is 197.1 secs Computing kpt #: 152 total cpu time spent up to now is 198.6 secs Computing kpt #: 153 total cpu time spent up to now is 200.2 secs Computing kpt #: 154 total cpu time spent up to now is 201.6 secs Computing kpt #: 155 total cpu time spent up to now is 203.0 secs Computing kpt #: 156 total cpu time spent up to now is 204.3 secs Computing kpt #: 157 total cpu time spent up to now is 205.7 secs Computing kpt #: 158 total cpu time spent up to now is 207.1 secs Computing kpt #: 159 total cpu time spent up to now is 208.5 secs Computing kpt #: 160 total cpu time spent up to now is 210.0 secs Computing kpt #: 161 total cpu time spent up to now is 211.6 secs Computing kpt #: 162 total cpu time spent up to now is 213.4 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.9 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.9 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.4 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.9 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.4 secs Computing kpt #: 169 total cpu time spent up to now is 230.7 secs Computing kpt #: 170 total cpu time spent up to now is 232.4 secs Computing kpt #: 171 total cpu time spent up to now is 234.0 secs Computing kpt #: 172 total cpu time spent up to now is 235.6 secs Computing kpt #: 173 total cpu time spent up to now is 237.1 secs Computing kpt #: 174 total cpu time spent up to now is 238.6 secs Computing kpt #: 175 total cpu time spent up to now is 240.1 secs Computing kpt #: 176 total cpu time spent up to now is 241.6 secs Computing kpt #: 177 total cpu time spent up to now is 243.1 secs Computing kpt #: 178 total cpu time spent up to now is 244.6 secs Computing kpt #: 179 total cpu time spent up to now is 246.1 secs Computing kpt #: 180 total cpu time spent up to now is 247.6 secs Computing kpt #: 181 total cpu time spent up to now is 249.1 secs Computing kpt #: 182 total cpu time spent up to now is 250.6 secs Computing kpt #: 183 total cpu time spent up to now is 252.1 secs Computing kpt #: 184 total cpu time spent up to now is 253.6 secs Computing kpt #: 185 total cpu time spent up to now is 255.2 secs Computing kpt #: 186 total cpu time spent up to now is 256.8 secs Computing kpt #: 187 total cpu time spent up to now is 258.4 secs Computing kpt #: 188 total cpu time spent up to now is 260.0 secs Computing kpt #: 189 total cpu time spent up to now is 261.8 secs Computing kpt #: 190 total cpu time spent up to now is 263.8 secs Computing kpt #: 191 total cpu time spent up to now is 265.8 secs Computing kpt #: 192 total cpu time spent up to now is 267.8 secs Computing kpt #: 193 total cpu time spent up to now is 269.9 secs Computing kpt #: 194 total cpu time spent up to now is 271.6 secs Computing kpt #: 195 total cpu time spent up to now is 273.4 secs Computing kpt #: 196 total cpu time spent up to now is 275.0 secs Computing kpt #: 197 total cpu time spent up to now is 276.6 secs Computing kpt #: 198 total cpu time spent up to now is 278.1 secs Computing kpt #: 199 total cpu time spent up to now is 279.7 secs Computing kpt #: 200 total cpu time spent up to now is 281.2 secs Computing kpt #: 201 total cpu time spent up to now is 282.8 secs Computing kpt #: 202 total cpu time spent up to now is 284.3 secs Computing kpt #: 203 total cpu time spent up to now is 285.9 secs Computing kpt #: 204 total cpu time spent up to now is 287.4 secs Computing kpt #: 205 total cpu time spent up to now is 289.0 secs Computing kpt #: 206 total cpu time spent up to now is 290.6 secs Computing kpt #: 207 total cpu time spent up to now is 292.2 secs Computing kpt #: 208 total cpu time spent up to now is 293.8 secs Computing kpt #: 209 total cpu time spent up to now is 295.2 secs Computing kpt #: 210 total cpu time spent up to now is 296.5 secs Computing kpt #: 211 total cpu time spent up to now is 297.9 secs Computing kpt #: 212 total cpu time spent up to now is 299.3 secs Computing kpt #: 213 total cpu time spent up to now is 300.7 secs Computing kpt #: 214 total cpu time spent up to now is 302.0 secs Computing kpt #: 215 total cpu time spent up to now is 303.3 secs Computing kpt #: 216 total cpu time spent up to now is 304.6 secs Computing kpt #: 217 total cpu time spent up to now is 305.9 secs Computing kpt #: 218 total cpu time spent up to now is 307.1 secs Computing kpt #: 219 total cpu time spent up to now is 308.4 secs Computing kpt #: 220 total cpu time spent up to now is 309.6 secs Computing kpt #: 221 total cpu time spent up to now is 310.9 secs Computing kpt #: 222 total cpu time spent up to now is 312.2 secs Computing kpt #: 223 total cpu time spent up to now is 313.4 secs Computing kpt #: 224 total cpu time spent up to now is 314.7 secs Computing kpt #: 225 total cpu time spent up to now is 315.9 secs Computing kpt #: 226 total cpu time spent up to now is 317.1 secs Computing kpt #: 227 total cpu time spent up to now is 318.4 secs Computing kpt #: 228 total cpu time spent up to now is 319.6 secs Computing kpt #: 229 total cpu time spent up to now is 320.9 secs Computing kpt #: 230 total cpu time spent up to now is 322.1 secs Computing kpt #: 231 total cpu time spent up to now is 323.3 secs Computing kpt #: 232 total cpu time spent up to now is 324.5 secs Computing kpt #: 233 total cpu time spent up to now is 325.7 secs Computing kpt #: 234 total cpu time spent up to now is 326.9 secs Computing kpt #: 235 total cpu time spent up to now is 328.1 secs Computing kpt #: 236 total cpu time spent up to now is 329.3 secs Computing kpt #: 237 total cpu time spent up to now is 330.4 secs Computing kpt #: 238 total cpu time spent up to now is 331.6 secs Computing kpt #: 239 total cpu time spent up to now is 332.7 secs Computing kpt #: 240 total cpu time spent up to now is 333.9 secs Computing kpt #: 241 total cpu time spent up to now is 335.0 secs Computing kpt #: 242 total cpu time spent up to now is 336.2 secs Computing kpt #: 243 total cpu time spent up to now is 337.3 secs Computing kpt #: 244 total cpu time spent up to now is 338.4 secs Computing kpt #: 245 total cpu time spent up to now is 339.5 secs Computing kpt #: 246 total cpu time spent up to now is 340.5 secs Computing kpt #: 247 total cpu time spent up to now is 341.5 secs Computing kpt #: 248 total cpu time spent up to now is 342.5 secs Computing kpt #: 249 total cpu time spent up to now is 343.5 secs Computing kpt #: 250 total cpu time spent up to now is 344.6 secs Computing kpt #: 251 total cpu time spent up to now is 345.7 secs Computing kpt #: 252 total cpu time spent up to now is 346.8 secs Computing kpt #: 253 total cpu time spent up to now is 347.9 secs Computing kpt #: 254 total cpu time spent up to now is 349.0 secs Computing kpt #: 255 total cpu time spent up to now is 350.1 secs Computing kpt #: 256 total cpu time spent up to now is 351.2 secs Computing kpt #: 257 total cpu time spent up to now is 352.3 secs Computing kpt #: 258 total cpu time spent up to now is 353.5 secs Computing kpt #: 259 total cpu time spent up to now is 354.6 secs Computing kpt #: 260 total cpu time spent up to now is 355.8 secs Computing kpt #: 261 total cpu time spent up to now is 357.0 secs Computing kpt #: 262 total cpu time spent up to now is 358.2 secs Computing kpt #: 263 total cpu time spent up to now is 359.4 secs Computing kpt #: 264 total cpu time spent up to now is 360.6 secs Computing kpt #: 265 total cpu time spent up to now is 361.8 secs Computing kpt #: 266 total cpu time spent up to now is 363.0 secs Computing kpt #: 267 total cpu time spent up to now is 364.2 secs Computing kpt #: 268 total cpu time spent up to now is 365.4 secs Computing kpt #: 269 total cpu time spent up to now is 366.6 secs Computing kpt #: 270 total cpu time spent up to now is 367.7 secs Computing kpt #: 271 total cpu time spent up to now is 368.9 secs Computing kpt #: 272 total cpu time spent up to now is 370.1 secs Computing kpt #: 273 total cpu time spent up to now is 371.3 secs Computing kpt #: 274 total cpu time spent up to now is 372.5 secs Computing kpt #: 275 total cpu time spent up to now is 373.7 secs Computing kpt #: 276 total cpu time spent up to now is 374.9 secs Computing kpt #: 277 total cpu time spent up to now is 376.1 secs Computing kpt #: 278 total cpu time spent up to now is 377.3 secs Computing kpt #: 279 total cpu time spent up to now is 378.5 secs Computing kpt #: 280 total cpu time spent up to now is 379.8 secs Computing kpt #: 281 total cpu time spent up to now is 381.0 secs Computing kpt #: 282 total cpu time spent up to now is 382.3 secs Computing kpt #: 283 total cpu time spent up to now is 383.6 secs Computing kpt #: 284 total cpu time spent up to now is 384.8 secs Computing kpt #: 285 total cpu time spent up to now is 386.1 secs Computing kpt #: 286 total cpu time spent up to now is 387.4 secs Computing kpt #: 287 total cpu time spent up to now is 388.7 secs Computing kpt #: 288 total cpu time spent up to now is 390.1 secs Computing kpt #: 289 total cpu time spent up to now is 391.4 secs Computing kpt #: 290 total cpu time spent up to now is 392.7 secs Computing kpt #: 291 total cpu time spent up to now is 394.0 secs Computing kpt #: 292 total cpu time spent up to now is 395.3 secs Computing kpt #: 293 total cpu time spent up to now is 396.7 secs Computing kpt #: 294 total cpu time spent up to now is 398.1 secs Computing kpt #: 295 total cpu time spent up to now is 399.7 secs Computing kpt #: 296 total cpu time spent up to now is 401.2 secs Computing kpt #: 297 total cpu time spent up to now is 402.7 secs Computing kpt #: 298 total cpu time spent up to now is 404.3 secs Computing kpt #: 299 total cpu time spent up to now is 405.8 secs Computing kpt #: 300 total cpu time spent up to now is 407.4 secs Computing kpt #: 301 total cpu time spent up to now is 408.9 secs Computing kpt #: 302 total cpu time spent up to now is 410.5 secs Computing kpt #: 303 total cpu time spent up to now is 411.9 secs Computing kpt #: 304 total cpu time spent up to now is 413.4 secs Computing kpt #: 305 total cpu time spent up to now is 414.8 secs Computing kpt #: 306 total cpu time spent up to now is 416.3 secs Computing kpt #: 307 total cpu time spent up to now is 417.9 secs Computing kpt #: 308 total cpu time spent up to now is 419.4 secs Computing kpt #: 309 total cpu time spent up to now is 420.9 secs Computing kpt #: 310 total cpu time spent up to now is 422.3 secs Computing kpt #: 311 total cpu time spent up to now is 423.7 secs Computing kpt #: 312 total cpu time spent up to now is 425.1 secs Computing kpt #: 313 total cpu time spent up to now is 426.6 secs Computing kpt #: 314 total cpu time spent up to now is 428.1 secs Computing kpt #: 315 total cpu time spent up to now is 429.9 secs Computing kpt #: 316 total cpu time spent up to now is 431.7 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.2 secs Computing kpt #: 318 total cpu time spent up to now is 436.7 secs Computing kpt #: 319 total cpu time spent up to now is 439.2 secs Computing kpt #: 320 total cpu time spent up to now is 441.4 secs Computing kpt #: 321 total cpu time spent up to now is 443.3 secs Computing kpt #: 322 total cpu time spent up to now is 445.0 secs Computing kpt #: 323 total cpu time spent up to now is 446.7 secs Computing kpt #: 324 total cpu time spent up to now is 448.4 secs Computing kpt #: 325 total cpu time spent up to now is 450.0 secs Computing kpt #: 326 total cpu time spent up to now is 451.6 secs Computing kpt #: 327 total cpu time spent up to now is 453.2 secs Computing kpt #: 328 total cpu time spent up to now is 454.8 secs Computing kpt #: 329 total cpu time spent up to now is 456.3 secs Computing kpt #: 330 total cpu time spent up to now is 457.6 secs Computing kpt #: 331 total cpu time spent up to now is 459.0 secs Computing kpt #: 332 total cpu time spent up to now is 460.3 secs Computing kpt #: 333 total cpu time spent up to now is 461.7 secs Computing kpt #: 334 total cpu time spent up to now is 463.0 secs Computing kpt #: 335 total cpu time spent up to now is 464.4 secs Computing kpt #: 336 total cpu time spent up to now is 465.7 secs Computing kpt #: 337 total cpu time spent up to now is 467.0 secs Computing kpt #: 338 total cpu time spent up to now is 468.4 secs Computing kpt #: 339 total cpu time spent up to now is 469.9 secs Computing kpt #: 340 total cpu time spent up to now is 471.5 secs Computing kpt #: 341 total cpu time spent up to now is 473.0 secs Computing kpt #: 342 total cpu time spent up to now is 474.5 secs Computing kpt #: 343 total cpu time spent up to now is 476.1 secs Computing kpt #: 344 total cpu time spent up to now is 477.7 secs Computing kpt #: 345 total cpu time spent up to now is 479.3 secs Computing kpt #: 346 total cpu time spent up to now is 481.2 secs Computing kpt #: 347 total cpu time spent up to now is 482.9 secs Computing kpt #: 348 total cpu time spent up to now is 484.7 secs Computing kpt #: 349 total cpu time spent up to now is 486.3 secs Computing kpt #: 350 total cpu time spent up to now is 487.9 secs Computing kpt #: 351 total cpu time spent up to now is 489.4 secs Computing kpt #: 352 total cpu time spent up to now is 490.9 secs Computing kpt #: 353 total cpu time spent up to now is 492.3 secs Computing kpt #: 354 total cpu time spent up to now is 493.8 secs Computing kpt #: 355 total cpu time spent up to now is 495.2 secs Computing kpt #: 356 total cpu time spent up to now is 496.6 secs Computing kpt #: 357 total cpu time spent up to now is 498.0 secs Computing kpt #: 358 total cpu time spent up to now is 499.4 secs ethr = 2.50E-08, avg # of iterations = 39.7 total cpu time spent up to now is 499.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6993 PWs) bands (ev): -6.1453 -6.1453 -5.7633 -5.7633 2.1213 2.1213 2.6554 2.6554 3.1802 3.1802 3.5758 3.5758 4.1310 4.1310 4.4395 4.4395 4.7363 4.7363 5.0208 5.0208 5.9821 5.9821 6.6940 6.6940 6.7668 6.7668 7.2699 7.2699 7.3439 7.3439 7.9975 7.9975 8.6372 8.6372 9.0355 9.0355 9.3376 9.3376 9.3683 9.3683 9.5229 9.5229 9.7209 9.7209 10.3352 10.3352 10.3798 10.3798 k = 0.0053 0.0182-0.0000 ( 7001 PWs) bands (ev): -6.1451 -6.1451 -5.7630 -5.7630 2.1221 2.1221 2.6566 2.6566 3.1811 3.1811 3.5773 3.5773 4.1320 4.1320 4.4358 4.4358 4.7356 4.7356 5.0211 5.0211 5.9863 5.9863 6.6961 6.6961 6.7670 6.7670 7.2703 7.2703 7.3444 7.3444 7.9978 7.9978 8.6388 8.6388 9.0366 9.0366 9.3377 9.3377 9.3612 9.3612 9.5278 9.5278 9.7134 9.7134 10.3340 10.3340 10.3751 10.3751 k = 0.0106 0.0363-0.0000 ( 6995 PWs) bands (ev): -6.1443 -6.1443 -5.7623 -5.7623 2.1243 2.1243 2.6601 2.6601 3.1837 3.1837 3.5815 3.5815 4.1351 4.1351 4.4247 4.4247 4.7336 4.7336 5.0218 5.0218 5.9989 5.9989 6.7023 6.7023 6.7678 6.7678 7.2716 7.2716 7.3458 7.3458 7.9987 7.9987 8.6436 8.6436 9.0396 9.0396 9.3376 9.3376 9.3419 9.3419 9.5406 9.5406 9.6917 9.6917 10.3302 10.3302 10.3465 10.3466 k = 0.0160 0.0545-0.0000 ( 6995 PWs) bands (ev): -6.1429 -6.1429 -5.7611 -5.7611 2.1280 2.1280 2.6660 2.6660 3.1880 3.1880 3.5886 3.5886 4.1402 4.1402 4.4067 4.4067 4.7304 4.7304 5.0230 5.0230 6.0194 6.0194 6.7125 6.7125 6.7689 6.7689 7.2737 7.2737 7.3482 7.3482 8.0002 8.0002 8.6514 8.6514 9.0445 9.0445 9.3132 9.3132 9.3385 9.3385 9.5580 9.5580 9.6572 9.6572 10.2344 10.2344 10.3222 10.3222 k = 0.0213 0.0727-0.0000 ( 6991 PWs) bands (ev): -6.1410 -6.1410 -5.7594 -5.7594 2.1332 2.1332 2.6742 2.6742 3.1941 3.1941 3.5985 3.5985 4.1473 4.1473 4.3825 4.3825 4.7259 4.7259 5.0247 5.0247 6.0472 6.0472 6.7267 6.7267 6.7704 6.7704 7.2767 7.2767 7.3515 7.3515 8.0021 8.0021 8.6621 8.6621 9.0507 9.0507 9.2790 9.2790 9.3392 9.3392 9.5777 9.5777 9.6122 9.6122 10.1141 10.1141 10.2902 10.2903 k = 0.0266 0.0908-0.0000 ( 6991 PWs) bands (ev): -6.1387 -6.1387 -5.7572 -5.7572 2.1399 2.1399 2.6845 2.6845 3.2019 3.2019 3.6111 3.6111 4.1564 4.1564 4.3529 4.3529 4.7204 4.7204 5.0269 5.0269 6.0813 6.0813 6.7447 6.7447 6.7721 6.7721 7.2808 7.2808 7.3558 7.3558 8.0043 8.0043 8.6753 8.6753 9.0572 9.0572 9.2410 9.2410 9.3404 9.3404 9.5582 9.5582 9.5994 9.5994 9.9918 9.9918 10.2352 10.2352 k = 0.0319 0.1090-0.0000 ( 6983 PWs) bands (ev): -6.1358 -6.1358 -5.7546 -5.7546 2.1481 2.1481 2.6970 2.6970 3.2115 3.2115 3.6263 3.6263 4.1674 4.1674 4.3188 4.3188 4.7138 4.7138 5.0295 5.0295 6.1209 6.1209 6.7657 6.7657 6.7747 6.7747 7.2862 7.2862 7.3610 7.3610 8.0065 8.0065 8.6906 8.6906 9.0614 9.0614 9.2024 9.2024 9.3420 9.3420 9.4984 9.4984 9.6212 9.6212 9.8693 9.8693 10.1679 10.1680 k = 0.0373 0.1272-0.0000 ( 6967 PWs) bands (ev): -6.1324 -6.1324 -5.7516 -5.7516 2.1578 2.1578 2.7114 2.7114 3.2229 3.2229 3.6440 3.6440 4.1803 4.1803 4.2809 4.2809 4.7064 4.7064 5.0326 5.0326 6.1651 6.1651 6.7740 6.7740 6.7935 6.7935 7.2930 7.2930 7.3672 7.3672 8.0085 8.0085 8.7074 8.7074 9.0566 9.0566 9.1701 9.1701 9.3437 9.3437 9.4345 9.4345 9.6410 9.6410 9.7505 9.7505 10.0925 10.0925 k = 0.0426 0.1453-0.0000 ( 6967 PWs) bands (ev): -6.1287 -6.1287 -5.7482 -5.7482 2.1690 2.1690 2.7277 2.7277 3.2362 3.2362 3.6642 3.6642 4.1949 4.1949 4.2403 4.2403 4.6983 4.6983 5.0362 5.0362 6.2130 6.2130 6.7751 6.7751 6.8224 6.8224 7.3015 7.3015 7.3742 7.3742 8.0102 8.0102 8.7250 8.7250 9.0320 9.0320 9.1550 9.1550 9.3372 9.3372 9.3765 9.3765 9.6074 9.6074 9.6875 9.6875 10.0122 10.0122 k = 0.0479 0.1635-0.0000 ( 6973 PWs) bands (ev): -6.1244 -6.1244 -5.7444 -5.7444 2.1818 2.1818 2.7457 2.7457 3.2513 3.2513 3.6865 3.6865 4.1973 4.1973 4.2115 4.2115 4.6897 4.6897 5.0402 5.0402 6.2639 6.2639 6.7753 6.7753 6.8549 6.8549 7.3117 7.3117 7.3822 7.3822 8.0113 8.0113 8.7424 8.7424 8.9875 8.9875 9.1568 9.1568 9.2836 9.2836 9.3655 9.3655 9.4940 9.4940 9.7073 9.7073 9.9296 9.9296 k = 0.0532 0.1817-0.0000 ( 6979 PWs) bands (ev): -6.1198 -6.1198 -5.7402 -5.7402 2.1961 2.1961 2.7652 2.7652 3.2684 3.2684 3.7110 3.7110 4.1532 4.1532 4.2294 4.2294 4.6806 4.6806 5.0447 5.0447 6.3170 6.3170 6.7744 6.7744 6.8905 6.8905 7.3239 7.3239 7.3911 7.3911 8.0116 8.0116 8.7585 8.7585 8.9318 8.9318 9.1641 9.1641 9.2153 9.2153 9.3725 9.3725 9.3767 9.3767 9.7358 9.7358 9.8466 9.8466 k = 0.0586 0.1998-0.0000 ( 6985 PWs) bands (ev): -6.1148 -6.1148 -5.7357 -5.7357 2.2120 2.2120 2.7860 2.7860 3.2875 3.2875 3.7373 3.7373 4.1081 4.1081 4.2489 4.2489 4.6714 4.6714 5.0496 5.0496 6.3716 6.3716 6.7723 6.7723 6.9290 6.9290 7.3382 7.3382 7.4009 7.4009 8.0110 8.0110 8.7723 8.7723 8.8700 8.8700 9.1280 9.1280 9.1910 9.1910 9.2583 9.2583 9.3867 9.3867 9.7606 9.7606 9.7715 9.7715 k = 0.0639 0.2180-0.0000 ( 6981 PWs) bands (ev): -6.1095 -6.1095 -5.7309 -5.7309 2.2294 2.2294 2.8078 2.8078 3.3086 3.3086 3.7654 3.7654 4.0626 4.0626 4.2698 4.2698 4.6621 4.6621 5.0548 5.0548 6.4273 6.4273 6.7688 6.7688 6.9699 6.9699 7.3547 7.3547 7.4115 7.4115 8.0094 8.0094 8.7817 8.7817 8.8049 8.8049 9.0540 9.0540 9.1427 9.1427 9.2051 9.2051 9.4044 9.4044 9.6837 9.6837 9.8030 9.8030 k = 0.0692 0.2362-0.0000 ( 6999 PWs) bands (ev): -6.1039 -6.1039 -5.7259 -5.7259 2.2485 2.2485 2.8304 2.8304 3.3320 3.3320 3.7950 3.7950 4.0173 4.0173 4.2920 4.2920 4.6529 4.6529 5.0605 5.0605 6.4835 6.4835 6.7638 6.7638 7.0128 7.0128 7.3735 7.3735 7.4229 7.4229 8.0069 8.0069 8.7343 8.7343 8.7888 8.7888 8.9771 8.9771 9.0297 9.0297 9.2217 9.2217 9.4262 9.4262 9.6068 9.6068 9.8407 9.8407 k = 0.0745 0.2543-0.0000 ( 6997 PWs) bands (ev): -6.0981 -6.0981 -5.7206 -5.7206 2.2691 2.2691 2.8535 2.8535 3.3577 3.3577 3.8258 3.8258 3.9724 3.9724 4.3153 4.3153 4.6439 4.6439 5.0666 5.0666 6.5398 6.5398 6.7571 6.7571 7.0572 7.0572 7.3946 7.3946 7.4352 7.4352 8.0036 8.0036 8.6633 8.6633 8.7887 8.7887 8.8994 8.8994 8.9198 8.9198 9.2385 9.2385 9.4487 9.4487 9.5370 9.5370 9.8815 9.8815 k = 0.0798 0.2725-0.0000 ( 6993 PWs) bands (ev): -6.0920 -6.0920 -5.7152 -5.7152 2.2914 2.2914 2.8770 2.8770 3.3858 3.3858 3.8578 3.8578 3.9283 3.9283 4.3395 4.3395 4.6353 4.6353 5.0730 5.0730 6.5959 6.5959 6.7488 6.7488 7.1025 7.1025 7.4177 7.4177 7.4483 7.4483 7.9997 7.9997 8.5904 8.5904 8.7825 8.7825 8.8098 8.8098 8.8251 8.8251 9.2543 9.2543 9.4387 9.4387 9.5070 9.5070 9.9254 9.9254 k = 0.0852 0.2907-0.0000 ( 7001 PWs) bands (ev): -6.0858 -6.0858 -5.7095 -5.7095 2.3154 2.3154 2.9004 2.9004 3.4164 3.4164 3.8853 3.8853 3.8905 3.8905 4.3645 4.3645 4.6272 4.6272 5.0797 5.0797 6.6512 6.6512 6.7388 6.7388 7.1477 7.1477 7.4427 7.4427 7.4623 7.4623 7.9956 7.9956 8.5162 8.5162 8.7061 8.7061 8.7459 8.7459 8.7727 8.7727 9.2682 9.2682 9.3804 9.3804 9.5312 9.5312 9.9720 9.9720 k = 0.0905 0.3088-0.0000 ( 7009 PWs) bands (ev): -6.0794 -6.0794 -5.7038 -5.7038 2.3410 2.3410 2.9236 2.9236 3.4496 3.4496 3.8435 3.8435 3.9237 3.9237 4.3901 4.3901 4.6196 4.6196 5.0867 5.0867 6.7043 6.7043 6.7283 6.7283 7.1920 7.1920 7.4678 7.4678 7.4787 7.4787 7.9918 7.9918 8.4414 8.4414 8.6051 8.6051 8.6712 8.6712 8.7543 8.7543 9.2775 9.2775 9.3208 9.3208 9.5608 9.5608 9.9627 9.9627 k = 0.0958 0.3270-0.0000 ( 7005 PWs) bands (ev): -6.0729 -6.0729 -5.6979 -5.6979 2.3683 2.3683 2.9464 2.9464 3.4854 3.4854 3.8033 3.8033 3.9573 3.9573 4.4160 4.4160 4.6128 4.6128 5.0939 5.0939 6.7113 6.7113 6.7609 6.7609 7.2342 7.2342 7.4872 7.4872 7.5029 7.5029 7.9889 7.9889 8.3666 8.3666 8.5077 8.5077 8.5973 8.5973 8.7311 8.7311 9.2513 9.2513 9.2970 9.2970 9.5825 9.5825 9.9383 9.9383 k = 0.1011 0.3452-0.0000 ( 7001 PWs) bands (ev): -6.0663 -6.0663 -5.6920 -5.6920 2.3974 2.3974 2.9685 2.9685 3.5239 3.5239 3.7647 3.7647 3.9909 3.9909 4.4421 4.4421 4.6067 4.6067 5.1013 5.1013 6.6962 6.6962 6.8126 6.8126 7.2727 7.2727 7.5029 7.5029 7.5323 7.5323 7.9879 7.9879 8.2923 8.2923 8.4142 8.4142 8.5251 8.5251 8.7028 8.7028 9.1979 9.1979 9.3012 9.3012 9.5880 9.5880 9.9388 9.9388 k = 0.1065 0.3633-0.0000 ( 7013 PWs) bands (ev): -6.0597 -6.0597 -5.6861 -5.6861 2.4282 2.4282 2.9898 2.9898 3.5651 3.5651 3.7279 3.7279 4.0243 4.0243 4.4682 4.4682 4.6015 4.6015 5.1089 5.1089 6.6788 6.6788 6.8632 6.8632 7.3059 7.3059 7.5180 7.5180 7.5635 7.5635 7.9892 7.9892 8.2197 8.2197 8.3251 8.3251 8.4548 8.4548 8.6701 8.6701 9.1466 9.1466 9.3042 9.3042 9.5747 9.5747 9.9664 9.9664 k = 0.1118 0.3815-0.0000 ( 7013 PWs) bands (ev): -6.0531 -6.0531 -5.6803 -5.6803 2.4607 2.4607 3.0102 3.0102 3.6088 3.6088 3.6931 3.6931 4.0573 4.0573 4.4939 4.4939 4.5971 4.5971 5.1167 5.1167 6.6595 6.6595 6.9122 6.9122 7.3321 7.3321 7.5328 7.5328 7.5953 7.5953 7.9926 7.9926 8.1508 8.1508 8.2409 8.2409 8.3869 8.3869 8.6333 8.6333 9.0995 9.0995 9.3037 9.3037 9.5475 9.5475 10.0153 10.0153 k = 0.1171 0.3997-0.0000 ( 7021 PWs) bands (ev): -6.0466 -6.0466 -5.6744 -5.6744 2.4950 2.4950 3.0296 3.0296 3.6535 3.6535 3.6618 3.6618 4.0897 4.0897 4.5191 4.5191 4.5937 4.5937 5.1244 5.1244 6.6382 6.6382 6.9593 6.9593 7.3494 7.3494 7.5469 7.5469 7.6268 7.6268 7.9933 7.9933 8.0923 8.0923 8.1625 8.1625 8.3218 8.3218 8.5931 8.5931 9.0567 9.0567 9.2993 9.2993 9.5131 9.5131 10.0332 10.0332 k = 0.1224 0.4178-0.0000 ( 7015 PWs) bands (ev): -6.0402 -6.0402 -5.6687 -5.6687 2.5310 2.5310 3.0480 3.0480 3.6290 3.6290 3.7042 3.7042 4.1211 4.1211 4.5433 4.5433 4.5914 4.5914 5.1322 5.1322 6.6151 6.6151 7.0046 7.0046 7.3566 7.3566 7.5600 7.5600 7.6567 7.6567 7.9703 7.9703 8.0660 8.0660 8.0910 8.0910 8.2600 8.2600 8.5499 8.5499 9.0186 9.0186 9.2908 9.2908 9.4758 9.4758 10.0105 10.0105 k = 0.1277 0.4360-0.0000 ( 7011 PWs) bands (ev): -6.0339 -6.0339 -5.6630 -5.6630 2.5688 2.5688 3.0654 3.0654 3.6004 3.6004 3.7552 3.7552 4.1515 4.1515 4.5654 4.5654 4.5912 4.5912 5.1399 5.1399 6.5899 6.5899 7.0478 7.0478 7.3529 7.3529 7.5715 7.5715 7.6826 7.6826 7.9200 7.9200 8.0285 8.0285 8.0766 8.0766 8.2021 8.2021 8.5042 8.5042 8.9850 8.9850 9.2781 9.2781 9.4381 9.4381 9.9862 9.9862 k = 0.1331 0.4542-0.0000 ( 7011 PWs) bands (ev): -6.0277 -6.0277 -5.6575 -5.6575 2.6084 2.6084 3.0817 3.0817 3.5739 3.5739 3.8083 3.8083 4.1808 4.1808 4.5798 4.5798 4.5983 4.5983 5.1475 5.1475 6.5626 6.5626 7.0890 7.0890 7.3382 7.3382 7.5806 7.5806 7.7007 7.7007 7.8645 7.8645 7.9790 7.9790 8.1017 8.1017 8.1490 8.1491 8.4567 8.4567 8.9561 8.9561 9.2610 9.2610 9.4011 9.4011 9.9601 9.9601 k = 0.1384 0.4723-0.0000 ( 7003 PWs) bands (ev): -6.0217 -6.0217 -5.6521 -5.6521 2.6497 2.6497 3.0970 3.0970 3.5496 3.5496 3.8633 3.8633 4.2086 4.2086 4.5832 4.5832 4.6161 4.6161 5.1549 5.1549 6.5332 6.5332 7.1279 7.1279 7.3130 7.3130 7.5862 7.5862 7.7049 7.7049 7.8115 7.8115 7.9482 7.9482 8.1012 8.1012 8.1337 8.1337 8.4077 8.4077 8.9317 8.9317 9.2400 9.2400 9.3656 9.3656 9.9321 9.9321 k = 0.1437 0.4905-0.0000 ( 6999 PWs) bands (ev): -6.0159 -6.0159 -5.6470 -5.6470 2.6927 2.6927 3.1114 3.1114 3.5275 3.5275 3.9199 3.9199 4.2351 4.2351 4.5842 4.5842 4.6354 4.6354 5.1620 5.1620 6.5016 6.5016 7.1645 7.1645 7.2786 7.2786 7.5872 7.5872 7.6910 7.6910 7.7630 7.7630 7.9399 7.9399 8.0606 8.0606 8.1686 8.1686 8.3576 8.3576 8.9120 8.9120 9.2152 9.2152 9.3318 9.3318 9.9023 9.9023 k = 0.1490 0.5087-0.0000 ( 6995 PWs) bands (ev): -6.0103 -6.0103 -5.6420 -5.6420 2.7375 2.7375 3.1249 3.1249 3.5076 3.5076 3.9780 3.9780 4.2600 4.2600 4.5852 4.5852 4.6539 4.6539 5.1688 5.1688 6.4678 6.4678 7.1982 7.1982 7.2370 7.2370 7.5825 7.5825 7.6631 7.6631 7.7191 7.7191 7.9500 7.9500 8.0275 8.0275 8.2047 8.2047 8.3070 8.3070 8.8968 8.8968 9.1871 9.1871 9.2996 9.2996 9.8705 9.8705 k = 0.1544 0.5268-0.0000 ( 7003 PWs) bands (ev): -6.0049 -6.0049 -5.6373 -5.6373 2.7839 2.7839 3.1376 3.1376 3.4899 3.4899 4.0371 4.0371 4.2835 4.2835 4.5865 4.5865 4.6711 4.6711 5.1753 5.1753 6.4318 6.4318 7.1854 7.1854 7.2332 7.2332 7.5713 7.5713 7.6291 7.6291 7.6792 7.6792 7.9709 7.9709 8.0026 8.0026 8.2390 8.2390 8.2576 8.2576 8.8861 8.8861 9.1562 9.1562 9.2692 9.2692 9.8369 9.8369 k = 0.1597 0.5450-0.0000 ( 7011 PWs) bands (ev): -5.9998 -5.9998 -5.6328 -5.6328 2.8319 2.8319 3.1495 3.1495 3.4743 3.4743 4.0969 4.0969 4.3053 4.3053 4.5880 4.5880 4.6868 4.6868 5.1813 5.1813 6.3938 6.3938 7.1323 7.1323 7.2626 7.2626 7.5538 7.5538 7.5945 7.5945 7.6428 7.6428 7.9853 7.9853 7.9969 7.9969 8.2040 8.2040 8.2759 8.2759 8.8800 8.8800 9.1228 9.1228 9.2407 9.2407 9.8016 9.8016 k = 0.1650 0.5631-0.0000 ( 7009 PWs) bands (ev): -5.9950 -5.9950 -5.6286 -5.6286 2.8814 2.8814 3.1607 3.1607 3.4609 3.4609 4.1571 4.1571 4.3256 4.3256 4.5896 4.5896 4.7010 4.7010 5.1870 5.1870 6.3540 6.3540 7.0754 7.0754 7.2905 7.2905 7.5308 7.5308 7.5618 7.5618 7.6094 7.6094 7.9746 7.9746 8.0247 8.0247 8.1537 8.1537 8.3074 8.3074 8.8784 8.8784 9.0872 9.0872 9.2143 9.2143 9.7646 9.7646 k = 0.1703 0.5813-0.0000 ( 7011 PWs) bands (ev): -5.9905 -5.9905 -5.6246 -5.6246 2.9324 2.9324 3.1713 3.1713 3.4496 3.4496 4.2172 4.2172 4.3445 4.3445 4.5914 4.5914 4.7137 4.7137 5.1922 5.1922 6.3128 6.3128 7.0165 7.0165 7.3163 7.3163 7.5036 7.5036 7.5321 7.5321 7.5786 7.5786 7.9683 7.9683 8.0519 8.0519 8.1044 8.1044 8.3355 8.3355 8.8815 8.8815 9.0500 9.0500 9.1901 9.1901 9.7261 9.7261 k = 0.1757 0.5995-0.0000 ( 7015 PWs) bands (ev): -5.9863 -5.9863 -5.6210 -5.6210 2.9847 2.9847 3.1814 3.1814 3.4404 3.4404 4.2766 4.2766 4.3619 4.3619 4.5931 4.5931 4.7251 4.7251 5.1969 5.1969 6.2706 6.2706 6.9566 6.9566 7.3399 7.3399 7.4734 7.4734 7.5062 7.5062 7.5504 7.5504 7.9645 7.9645 8.0504 8.0504 8.0839 8.0839 8.3595 8.3595 8.8891 8.8891 9.0116 9.0116 9.1684 9.1684 9.6865 9.6865 k = 0.1810 0.6176-0.0000 ( 7015 PWs) bands (ev): -5.9824 -5.9824 -5.6176 -5.6176 3.0383 3.0383 3.1909 3.1909 3.4331 3.4331 4.3345 4.3345 4.3779 4.3779 4.5946 4.5946 4.7353 4.7353 5.2011 5.2011 6.2280 6.2280 6.8968 6.8968 7.3610 7.3610 7.4419 7.4419 7.4840 7.4840 7.5248 7.5248 7.9609 7.9609 8.0039 8.0039 8.1080 8.1080 8.3785 8.3785 8.9006 8.9006 8.9733 8.9733 9.1492 9.1492 9.6458 9.6458 k = 0.1863 0.6358-0.0000 ( 7011 PWs) bands (ev): -5.9789 -5.9789 -5.6145 -5.6145 3.0929 3.0929 3.2000 3.2000 3.4278 3.4278 4.3891 4.3891 4.3936 4.3936 4.5958 4.5958 4.7447 4.7447 5.2049 5.2049 6.1857 6.1857 6.8378 6.8378 7.3780 7.3780 7.4116 7.4116 7.4652 7.4652 7.5020 7.5020 7.9514 7.9514 7.9617 7.9617 8.1317 8.1317 8.3924 8.3924 8.9096 8.9096 8.9423 8.9423 9.1325 9.1325 9.6044 9.6044 k = 0.1916 0.6540-0.0000 ( 7011 PWs) bands (ev): -5.9756 -5.9756 -5.6116 -5.6116 3.1484 3.1484 3.2088 3.2088 3.4244 3.4244 4.4059 4.4059 4.4423 4.4423 4.5965 4.5965 4.7538 4.7538 5.2083 5.2083 6.1446 6.1446 6.7802 6.7802 7.3713 7.3713 7.4017 7.4017 7.4498 7.4498 7.4828 7.4828 7.9091 7.9091 7.9509 7.9509 8.1532 8.1533 8.4005 8.4005 8.8855 8.8855 8.9499 8.9499 9.1186 9.1186 9.5624 9.5624 k = 0.1969 0.6721-0.0000 ( 7011 PWs) bands (ev): -5.9727 -5.9727 -5.6091 -5.6091 3.2045 3.2045 3.2173 3.2173 3.4227 3.4227 4.4183 4.4183 4.4891 4.4891 4.5967 4.5967 4.7633 4.7633 5.2113 5.2113 6.1058 6.1058 6.7245 6.7245 7.3426 7.3426 7.4067 7.4067 7.4405 7.4405 7.4688 7.4688 7.8644 7.8644 7.9402 7.9402 8.1721 8.1721 8.4028 8.4028 8.8493 8.8493 8.9758 8.9758 9.1073 9.1073 9.5201 9.5201 k = 0.2023 0.6903-0.0000 ( 7013 PWs) bands (ev): -5.9701 -5.9701 -5.6069 -5.6069 3.2253 3.2253 3.2614 3.2614 3.4228 3.4228 4.4296 4.4296 4.5287 4.5287 4.5964 4.5964 4.7742 4.7742 5.2138 5.2138 6.0704 6.0704 6.6714 6.6714 7.3136 7.3136 7.3989 7.3989 7.4403 7.4403 7.4632 7.4632 7.8209 7.8209 7.9255 7.9255 8.1881 8.1881 8.3988 8.3988 8.8136 8.8136 9.0076 9.0076 9.0991 9.0991 9.4778 9.4778 k = 0.2076 0.7085-0.0000 ( 7017 PWs) bands (ev): -5.9678 -5.9678 -5.6050 -5.6050 3.2333 3.2333 3.3182 3.3182 3.4245 3.4245 4.4399 4.4399 4.5587 4.5587 4.5958 4.5958 4.7873 4.7873 5.2161 5.2161 6.0397 6.0397 6.6212 6.6212 7.2862 7.2862 7.3833 7.3833 7.4399 7.4399 7.4685 7.4685 7.7791 7.7791 7.9062 7.9062 8.2007 8.2007 8.3886 8.3886 8.7805 8.7805 9.0426 9.0426 9.0953 9.0953 9.4356 9.4356 k = 0.2129 0.7266-0.0000 ( 7019 PWs) bands (ev): -5.9658 -5.9658 -5.6034 -5.6034 3.2411 3.2411 3.3751 3.3751 3.4278 3.4278 4.4493 4.4493 4.5766 4.5766 4.5960 4.5960 4.8030 4.8030 5.2180 5.2180 6.0152 6.0152 6.5743 6.5743 7.2609 7.2609 7.3652 7.3652 7.4389 7.4389 7.4792 7.4792 7.7390 7.7390 7.8821 7.8821 8.2100 8.2100 8.3723 8.3723 8.7506 8.7506 9.0705 9.0705 9.1054 9.1054 9.3938 9.3938 k = 0.2182 0.7448-0.0000 ( 7019 PWs) bands (ev): -5.9642 -5.9642 -5.6020 -5.6020 3.2487 3.2487 3.4313 3.4313 3.4327 3.4327 4.4579 4.4579 4.5812 4.5812 4.5978 4.5978 4.8203 4.8203 5.2196 5.2196 5.9983 5.9983 6.5311 6.5311 7.2380 7.2380 7.3461 7.3461 7.4397 7.4397 7.4910 7.4910 7.7008 7.7008 7.8532 7.8532 8.2157 8.2157 8.3504 8.3504 8.7246 8.7246 9.0775 9.0775 9.1426 9.1426 9.3528 9.3528 k = 0.2236 0.7630-0.0000 ( 7009 PWs) bands (ev): -5.9629 -5.9629 -5.6010 -5.6010 3.2562 3.2562 3.4387 3.4387 3.4870 3.4870 4.4657 4.4657 4.5788 4.5788 4.5956 4.5956 4.8373 4.8373 5.2209 5.2209 5.9902 5.9902 6.4920 6.4920 7.2177 7.2177 7.3264 7.3264 7.4426 7.4426 7.5024 7.5024 7.6650 7.6650 7.8195 7.8195 8.2177 8.2177 8.3236 8.3236 8.7025 8.7025 9.0797 9.0797 9.1893 9.1893 9.3136 9.3136 k = 0.2289 0.7811-0.0000 ( 7013 PWs) bands (ev): -5.9619 -5.9619 -5.6002 -5.6002 3.2636 3.2636 3.4462 3.4462 3.5413 3.5413 4.4727 4.4727 4.5736 4.5736 4.5865 4.5865 4.8520 4.8520 5.2220 5.2220 5.9919 5.9919 6.4572 6.4572 7.2002 7.2002 7.3060 7.3060 7.4478 7.4478 7.5126 7.5126 7.6321 7.6321 7.7813 7.7813 8.2160 8.2160 8.2933 8.2933 8.6843 8.6843 9.0825 9.0825 9.2317 9.2317 9.2841 9.2841 k = 0.2342 0.7993-0.0000 ( 7025 PWs) bands (ev): -5.9612 -5.9612 -5.5997 -5.5997 3.2710 3.2710 3.4549 3.4549 3.5938 3.5938 4.4789 4.4789 4.5646 4.5646 4.5725 4.5725 4.8632 4.8632 5.2229 5.2229 6.0039 6.0039 6.4272 6.4272 7.1857 7.1857 7.2847 7.2847 7.4550 7.4550 7.5199 7.5199 7.6041 7.6041 7.7389 7.7389 8.2105 8.2105 8.2607 8.2607 8.6696 8.6696 9.0863 9.0863 9.2217 9.2217 9.3113 9.3113 k = 0.2395 0.8175-0.0000 ( 7017 PWs) bands (ev): -5.9608 -5.9608 -5.5995 -5.5995 3.2783 3.2783 3.4647 3.4647 3.6440 3.6440 4.4843 4.4843 4.5432 4.5432 4.5630 4.5630 4.8705 4.8705 5.2235 5.2235 6.0260 6.0260 6.4020 6.4020 7.1741 7.1741 7.2621 7.2621 7.4642 7.4642 7.5197 7.5197 7.5855 7.5855 7.6929 7.6929 8.2006 8.2006 8.2280 8.2280 8.6581 8.6581 9.0903 9.0903 9.1881 9.1881 9.3669 9.3669 k = 0.2448 0.8356-0.0000 ( 7013 PWs) bands (ev): -5.9607 -5.9607 -5.5995 -5.5995 3.2855 3.2855 3.4756 3.4756 3.6913 3.6913 4.4888 4.4888 4.5127 4.5127 4.5553 4.5553 4.8743 4.8743 5.2239 5.2239 6.0576 6.0576 6.3821 6.3821 7.1657 7.1657 7.2379 7.2379 7.4749 7.4749 7.5075 7.5075 7.5812 7.5812 7.6438 7.6438 8.1830 8.1830 8.1999 8.1999 8.6496 8.6497 9.0906 9.0906 9.1578 9.1578 9.4272 9.4272 k = 0.2502 0.8538-0.0000 ( 7023 PWs) bands (ev): -5.9609 -5.9609 -5.5998 -5.5998 3.2927 3.2927 3.4875 3.4875 3.7350 3.7350 4.4752 4.4752 4.4923 4.4923 4.5480 4.5480 4.8752 4.8752 5.2240 5.2240 6.0977 6.0977 6.3675 6.3675 7.1604 7.1604 7.2117 7.2117 7.4807 7.4807 7.4940 7.4940 7.5830 7.5830 7.5961 7.5961 8.1552 8.1552 8.1803 8.1803 8.6440 8.6440 9.0768 9.0768 9.1429 9.1429 9.4898 9.4898 k = 0.2555 0.8720-0.0000 ( 7017 PWs) bands (ev): -5.9614 -5.9614 -5.6003 -5.6003 3.2999 3.2999 3.5003 3.5003 3.7745 3.7745 4.4318 4.4318 4.4943 4.4943 4.5413 4.5413 4.8741 4.8741 5.2239 5.2239 6.1451 6.1451 6.3584 6.3584 7.1579 7.1579 7.1834 7.1834 7.4615 7.4615 7.5045 7.5045 7.5368 7.5368 7.5995 7.5995 8.1263 8.1263 8.1616 8.1616 8.6410 8.6410 9.0469 9.0469 9.1457 9.1457 9.5538 9.5538 k = 0.2608 0.8901-0.0000 ( 7013 PWs) bands (ev): -5.9621 -5.9621 -5.6011 -5.6011 3.3069 3.3069 3.5140 3.5140 3.8090 3.8090 4.3827 4.3827 4.4949 4.4949 4.5358 4.5358 4.8717 4.8717 5.2235 5.2235 6.1984 6.1984 6.3550 6.3550 7.1480 7.1480 7.1627 7.1627 7.4392 7.4392 7.4784 7.4784 7.5240 7.5240 7.6119 7.6119 8.1000 8.1000 8.1413 8.1413 8.6406 8.6406 9.0106 9.0106 9.1563 9.1563 9.6187 9.6187 k = 0.2661 0.9083-0.0000 ( 7009 PWs) bands (ev): -5.9632 -5.9632 -5.6021 -5.6021 3.3138 3.3138 3.5284 3.5284 3.8379 3.8379 4.3286 4.3286 4.4938 4.4938 4.5319 4.5319 4.8686 4.8686 5.2229 5.2229 6.2562 6.2562 6.3572 6.3572 7.1146 7.1146 7.1658 7.1658 7.4154 7.4154 7.4242 7.4242 7.5425 7.5425 7.6259 7.6259 8.0776 8.0776 8.1192 8.1192 8.6428 8.6428 8.9722 8.9722 9.1703 9.1703 9.6841 9.6841 k = 0.2715 0.9265-0.0000 ( 7007 PWs) bands (ev): -5.9645 -5.9645 -5.6034 -5.6034 3.3205 3.3205 3.5436 3.5436 3.8608 3.8608 4.2703 4.2703 4.4915 4.4915 4.5294 4.5294 4.8650 4.8650 5.2219 5.2219 6.3174 6.3174 6.3652 6.3652 7.0763 7.0763 7.1735 7.1735 7.3627 7.3627 7.3994 7.3994 7.5636 7.5636 7.6409 7.6409 8.0596 8.0596 8.0956 8.0956 8.6476 8.6476 8.9330 8.9330 9.1862 9.1862 9.7495 9.7495 k = 0.2715 0.9265-0.0000 ( 7007 PWs) bands (ev): -5.9645 -5.9645 -5.6034 -5.6034 3.3205 3.3205 3.5436 3.5436 3.8608 3.8608 4.2703 4.2703 4.4915 4.4915 4.5294 4.5294 4.8650 4.8650 5.2219 5.2219 6.3174 6.3174 6.3652 6.3652 7.0763 7.0763 7.1735 7.1735 7.3627 7.3627 7.3994 7.3994 7.5636 7.5636 7.6409 7.6409 8.0596 8.0596 8.0956 8.0956 8.6476 8.6476 8.9330 8.9330 9.1862 9.1862 9.7495 9.7495 k = 0.2534 0.9265-0.0000 ( 7010 PWs) bands (ev): -5.9641 -5.9641 -5.6030 -5.6030 3.3185 3.3185 3.5392 3.5392 3.8542 3.8542 4.2864 4.2864 4.4925 4.4925 4.5311 4.5311 4.8660 4.8660 5.2222 5.2222 6.3004 6.3004 6.3626 6.3626 7.0840 7.0840 7.1711 7.1711 7.3738 7.3738 7.4104 7.4104 7.5603 7.5603 7.6371 7.6371 8.0652 8.0652 8.1012 8.1012 8.6447 8.6447 8.9473 8.9473 9.1759 9.1759 9.7390 9.7390 k = 0.2353 0.9265-0.0000 ( 7012 PWs) bands (ev): -5.9637 -5.9637 -5.6027 -5.6027 3.3159 3.3159 3.5344 3.5344 3.8455 3.8455 4.3011 4.3011 4.4941 4.4941 4.5361 4.5361 4.8669 4.8669 5.2225 5.2225 6.2831 6.2831 6.3604 6.3604 7.0854 7.0854 7.1690 7.1690 7.3785 7.3785 7.4304 7.4304 7.5620 7.5620 7.6337 7.6337 8.0734 8.0734 8.1051 8.1051 8.6402 8.6402 8.9678 8.9678 9.1548 9.1548 9.7424 9.7424 k = 0.2172 0.9265-0.0000 ( 7020 PWs) bands (ev): -5.9634 -5.9634 -5.6023 -5.6023 3.3130 3.3130 3.5293 3.5293 3.8357 3.8357 4.3127 4.3127 4.4956 4.4956 4.5455 4.5455 4.8678 4.8678 5.2229 5.2229 6.2657 6.2657 6.3585 6.3585 7.0809 7.0809 7.1670 7.1670 7.3819 7.3819 7.4540 7.4540 7.5682 7.5682 7.6310 7.6310 8.0843 8.0843 8.1073 8.1073 8.6350 8.6350 8.9922 8.9922 9.1260 9.1260 9.7576 9.7576 k = 0.1991 0.9265-0.0000 ( 7013 PWs) bands (ev): -5.9630 -5.9630 -5.6020 -5.6020 3.3098 3.3098 3.5240 3.5240 3.8253 3.8253 4.3205 4.3205 4.4967 4.4967 4.5600 4.5600 4.8686 4.8686 5.2233 5.2233 6.2482 6.2482 6.3568 6.3568 7.0714 7.0714 7.1653 7.1653 7.3860 7.3860 7.4786 7.4786 7.5775 7.5775 7.6288 7.6288 8.0961 8.0961 8.1093 8.1093 8.6302 8.6302 9.0147 9.0147 9.0968 9.0968 9.7817 9.7817 k = 0.1810 0.9265-0.0000 ( 7011 PWs) bands (ev): -5.9627 -5.9627 -5.6016 -5.6016 3.3064 3.3064 3.5187 3.5187 3.8150 3.8150 4.3246 4.3246 4.4972 4.4972 4.5789 4.5789 4.8696 4.8696 5.2237 5.2237 6.2310 6.2310 6.3552 6.3552 7.0584 7.0584 7.1637 7.1637 7.3911 7.3911 7.5032 7.5032 7.5880 7.5880 7.6276 7.6276 8.1002 8.1002 8.1197 8.1197 8.6263 8.6263 9.0150 9.0150 9.0889 9.0889 9.8120 9.8120 k = 0.1629 0.9265-0.0000 ( 7011 PWs) bands (ev): -5.9624 -5.9624 -5.6013 -5.6013 3.3029 3.3029 3.5134 3.5134 3.8050 3.8050 4.3257 4.3257 4.4973 4.4973 4.6009 4.6009 4.8706 4.8706 5.2240 5.2240 6.2141 6.2141 6.3537 6.3537 7.0431 7.0431 7.1623 7.1623 7.3973 7.3973 7.5272 7.5272 7.5975 7.5975 7.6283 7.6283 8.0972 8.0972 8.1380 8.1380 8.6235 8.6235 8.9850 8.9850 9.1118 9.1118 9.8460 9.8460 k = 0.1448 0.9265-0.0000 ( 7017 PWs) bands (ev): -5.9621 -5.9621 -5.6010 -5.6010 3.2994 3.2994 3.5084 3.5084 3.7956 3.7956 4.3246 4.3246 4.4971 4.4971 4.6244 4.6244 4.8718 4.8718 5.2244 5.2244 6.1977 6.1977 6.3524 6.3524 7.0267 7.0267 7.1611 7.1611 7.4045 7.4045 7.5500 7.5500 7.6033 7.6033 7.6325 7.6325 8.0920 8.0920 8.1590 8.1590 8.6218 8.6218 8.9469 8.9469 9.1438 9.1438 9.8817 9.8818 k = 0.1267 0.9265-0.0000 ( 7012 PWs) bands (ev): -5.9618 -5.9618 -5.6007 -5.6007 3.2960 3.2960 3.5037 3.5037 3.7871 3.7871 4.3222 4.3222 4.4968 4.4968 4.6480 4.6480 4.8731 4.8731 5.2248 5.2248 6.1820 6.1820 6.3512 6.3512 7.0103 7.0103 7.1600 7.1600 7.4125 7.4125 7.5709 7.5709 7.6053 7.6053 7.6401 7.6401 8.0858 8.0858 8.1813 8.1813 8.6209 8.6209 8.9089 8.9089 9.1773 9.1773 9.9178 9.9178 k = 0.1086 0.9265-0.0000 ( 7016 PWs) bands (ev): -5.9616 -5.9616 -5.6005 -5.6005 3.2928 3.2928 3.4994 3.4994 3.7795 3.7795 4.3191 4.3191 4.4964 4.4964 4.6706 4.6706 4.8745 4.8745 5.2251 5.2251 6.1674 6.1674 6.3501 6.3501 6.9946 6.9946 7.1591 7.1591 7.4209 7.4209 7.5880 7.5880 7.6066 7.6066 7.6487 7.6487 8.0792 8.0792 8.2039 8.2039 8.6205 8.6205 8.8732 8.8732 9.2100 9.2100 9.9526 9.9526 k = 0.0905 0.9265-0.0000 ( 7013 PWs) bands (ev): -5.9614 -5.9614 -5.6003 -5.6003 3.2900 3.2900 3.4956 3.4956 3.7730 3.7730 4.3159 4.3159 4.4960 4.4960 4.6911 4.6911 4.8761 4.8761 5.2254 5.2254 6.1543 6.1543 6.3492 6.3492 6.9803 6.9803 7.1584 7.1584 7.4293 7.4293 7.5949 7.5949 7.6148 7.6148 7.6567 7.6567 8.0726 8.0726 8.2256 8.2256 8.6204 8.6204 8.8413 8.8413 9.2405 9.2405 9.9849 9.9849 k = 0.0724 0.9265-0.0000 ( 7003 PWs) bands (ev): -5.9612 -5.9612 -5.6001 -5.6001 3.2875 3.2875 3.4923 3.4923 3.7677 3.7677 4.3128 4.3128 4.4957 4.4957 4.7087 4.7087 4.8779 4.8779 5.2256 5.2256 6.1428 6.1428 6.3484 6.3484 6.9679 6.9679 7.1577 7.1577 7.4373 7.4373 7.5940 7.5940 7.6278 7.6278 7.6635 7.6635 8.0666 8.0666 8.2453 8.2453 8.6204 8.6204 8.8141 8.8141 9.2675 9.2675 10.0136 10.0136 k = 0.0543 0.9265-0.0000 ( 7008 PWs) bands (ev): -5.9611 -5.9611 -5.6000 -5.6000 3.2855 3.2855 3.4897 3.4897 3.7634 3.7634 4.3101 4.3101 4.4953 4.4953 4.7228 4.7228 4.8795 4.8795 5.2258 5.2258 6.1335 6.1335 6.3478 6.3478 6.9579 6.9579 7.1573 7.1573 7.4444 7.4444 7.5916 7.5916 7.6395 7.6395 7.6687 7.6687 8.0615 8.0615 8.2621 8.2621 8.6203 8.6203 8.7922 8.7922 9.2900 9.2900 10.0374 10.0374 k = 0.0362 0.9265-0.0000 ( 7006 PWs) bands (ev): -5.9610 -5.9610 -5.5999 -5.5999 3.2840 3.2840 3.4879 3.4879 3.7604 3.7604 4.3081 4.3081 4.4951 4.4951 4.7331 4.7331 4.8810 4.8810 5.2260 5.2260 6.1265 6.1265 6.3473 6.3473 6.9506 6.9506 7.1569 7.1569 7.4500 7.4500 7.5893 7.5893 7.6484 7.6484 7.6723 7.6723 8.0576 8.0576 8.2749 8.2749 8.6202 8.6202 8.7761 8.7761 9.3069 9.3069 10.0554 10.0554 k = 0.0181 0.9265-0.0000 ( 7010 PWs) bands (ev): -5.9609 -5.9609 -5.5998 -5.5998 3.2831 3.2831 3.4867 3.4867 3.7586 3.7586 4.3069 4.3069 4.4950 4.4950 4.7393 4.7393 4.8819 4.8819 5.2260 5.2260 6.1222 6.1222 6.3471 6.3471 6.9461 6.9461 7.1567 7.1567 7.4536 7.4536 7.5877 7.5877 7.6540 7.6540 7.6744 7.6744 8.0552 8.0552 8.2829 8.2829 8.6201 8.6201 8.7663 8.7663 9.3174 9.3174 10.0665 10.0665 k = 0.0000 0.9265-0.0000 ( 7018 PWs) bands (ev): -5.9609 -5.9609 -5.5998 -5.5998 3.2828 3.2828 3.4863 3.4863 3.7580 3.7580 4.3064 4.3064 4.4949 4.4949 4.7414 4.7414 4.8823 4.8823 5.2261 5.2261 6.1208 6.1208 6.3470 6.3470 6.9446 6.9446 7.1566 7.1566 7.4549 7.4549 7.5871 7.5871 7.6559 7.6559 7.6750 7.6750 8.0544 8.0544 8.2857 8.2857 8.6200 8.6200 8.7631 8.7631 9.3210 9.3210 10.0703 10.0703 k = 0.0000 0.9265-0.0000 ( 7018 PWs) bands (ev): -5.9609 -5.9609 -5.5998 -5.5998 3.2828 3.2828 3.4863 3.4863 3.7580 3.7580 4.3064 4.3064 4.4949 4.4949 4.7414 4.7414 4.8823 4.8823 5.2261 5.2261 6.1208 6.1208 6.3470 6.3470 6.9446 6.9446 7.1566 7.1566 7.4549 7.4549 7.5871 7.5871 7.6559 7.6559 7.6750 7.6750 8.0544 8.0544 8.2857 8.2857 8.6200 8.6200 8.7631 8.7631 9.3210 9.3210 10.0703 10.0703 k = 0.0000 0.9265 0.0185 ( 7010 PWs) bands (ev): -5.9603 -5.9603 -5.6005 -5.6005 3.2854 3.2854 3.4867 3.4867 3.7575 3.7575 4.3065 4.3065 4.4953 4.4953 4.7409 4.7409 4.8818 4.8818 5.2225 5.2225 6.1213 6.1213 6.3465 6.3465 6.9452 6.9452 7.1585 7.1585 7.4481 7.4481 7.5868 7.5868 7.6503 7.6503 7.6850 7.6850 8.0526 8.0526 8.2878 8.2878 8.6181 8.6181 8.7624 8.7624 9.3241 9.3241 10.0741 10.0741 k = 0.0000 0.9265 0.0371 ( 7010 PWs) bands (ev): -5.9584 -5.9584 -5.6028 -5.6028 3.2931 3.2931 3.4879 3.4879 3.7559 3.7559 4.3069 4.3069 4.4966 4.4966 4.7396 4.7396 4.8805 4.8805 5.2121 5.2121 6.1228 6.1228 6.3451 6.3451 6.9469 6.9469 7.1640 7.1640 7.4297 7.4297 7.5854 7.5854 7.6419 7.6419 7.7055 7.7055 8.0472 8.0472 8.2940 8.2940 8.6122 8.6122 8.7604 8.7604 9.3333 9.3333 10.0855 10.0855 k = 0.0000 0.9265 0.0556 ( 7014 PWs) bands (ev): -5.9552 -5.9552 -5.6065 -5.6065 3.3058 3.3058 3.4899 3.4899 3.7534 3.7534 4.3073 4.3073 4.4986 4.4986 4.7373 4.7373 4.8782 4.8782 5.1950 5.1950 6.1253 6.1253 6.3427 6.3427 6.9497 6.9497 7.1730 7.1730 7.4038 7.4038 7.5820 7.5820 7.6333 7.6333 7.7311 7.7311 8.0383 8.0383 8.3040 8.3040 8.6023 8.6023 8.7574 8.7574 9.3487 9.3487 10.1042 10.1042 k = 0.0000 0.9265 0.0741 ( 7014 PWs) bands (ev): -5.9508 -5.9508 -5.6116 -5.6116 3.3234 3.3234 3.4927 3.4927 3.7500 3.7500 4.3076 4.3076 4.5014 4.5014 4.7341 4.7341 4.8751 4.8751 5.1718 5.1718 6.1287 6.1287 6.3396 6.3396 6.9533 6.9533 7.1855 7.1855 7.3737 7.3737 7.5766 7.5766 7.6242 7.6242 7.7597 7.7597 8.0261 8.0261 8.3175 8.3175 8.5883 8.5883 8.7538 8.7538 9.3701 9.3701 10.1298 10.1298 k = 0.0000 0.9265 0.0926 ( 7024 PWs) bands (ev): -5.9452 -5.9452 -5.6181 -5.6181 3.3458 3.3458 3.4963 3.4963 3.7457 3.7457 4.3076 4.3076 4.5049 4.5049 4.7300 4.7300 4.8712 4.8712 5.1433 5.1433 6.1330 6.1330 6.3356 6.3356 6.9575 6.9575 7.2011 7.2011 7.3417 7.3417 7.5694 7.5694 7.6144 7.6144 7.7897 7.7897 8.0108 8.0108 8.3340 8.3340 8.5703 8.5703 8.7497 8.7497 9.3974 9.3974 10.1617 10.1617 k = 0.0000 0.9265 0.1112 ( 7032 PWs) bands (ev): -5.9384 -5.9384 -5.6259 -5.6259 3.3728 3.3728 3.5006 3.5006 3.7406 3.7406 4.3067 4.3067 4.5091 4.5091 4.7249 4.7249 4.8666 4.8666 5.1105 5.1105 6.1381 6.1381 6.3308 6.3308 6.9622 6.9622 7.2192 7.2192 7.3096 7.3096 7.5609 7.5609 7.6039 7.6039 7.8204 7.8204 7.9925 7.9925 8.3529 8.3529 8.5486 8.5486 8.7454 8.7454 9.4305 9.4305 10.1991 10.1991 k = 0.0000 0.9265 0.1297 ( 7028 PWs) bands (ev): -5.9305 -5.9305 -5.6350 -5.6350 3.4039 3.4039 3.5058 3.5058 3.7351 3.7351 4.3045 4.3045 4.5139 4.5139 4.7190 4.7190 4.8614 4.8614 5.0745 5.0745 6.1440 6.1440 6.3254 6.3254 6.9670 6.9670 7.2369 7.2369 7.2810 7.2810 7.5517 7.5517 7.5930 7.5930 7.8510 7.8510 7.9715 7.9715 8.3737 8.3737 8.5236 8.5236 8.7408 8.7408 9.4692 9.4692 10.2412 10.2412 k = 0.0000 0.9265 0.1482 ( 7030 PWs) bands (ev): -5.9215 -5.9215 -5.6452 -5.6452 3.4388 3.4388 3.5116 3.5116 3.7292 3.7292 4.3003 4.3003 4.5194 4.5194 4.7121 4.7121 4.8558 4.8558 5.0364 5.0364 6.1505 6.1505 6.3195 6.3195 6.9718 6.9718 7.2329 7.2329 7.2775 7.2775 7.5422 7.5422 7.5819 7.5819 7.8812 7.8812 7.9483 7.9483 8.3958 8.3958 8.4960 8.4960 8.7359 8.7359 9.5132 9.5132 10.2867 10.2867 k = 0.0000 0.9265 0.1667 ( 7020 PWs) bands (ev): -5.9115 -5.9115 -5.6565 -5.6565 3.4766 3.4766 3.5183 3.5183 3.7237 3.7237 4.2932 4.2932 4.5254 4.5254 4.7044 4.7044 4.8498 4.8498 4.9979 4.9979 6.1576 6.1576 6.3129 6.3129 6.9765 6.9765 7.2064 7.2064 7.3004 7.3004 7.5329 7.5329 7.5709 7.5709 7.9081 7.9081 7.9258 7.9258 8.4184 8.4184 8.4668 8.4668 8.7303 8.7303 9.5623 9.5623 10.3341 10.3341 k = 0.0000 0.9265 0.1853 ( 7032 PWs) bands (ev): -5.9005 -5.9005 -5.6688 -5.6688 3.5151 3.5151 3.5269 3.5269 3.7193 3.7193 4.2823 4.2823 4.5319 4.5319 4.6958 4.6958 4.8435 4.8435 4.9603 4.9603 6.1652 6.1652 6.3059 6.3059 6.9810 6.9810 7.1782 7.1782 7.3288 7.3288 7.5241 7.5241 7.5603 7.5603 7.8927 7.8927 7.9431 7.9431 8.4288 8.4288 8.4487 8.4487 8.7239 8.7239 9.6162 9.6162 10.3806 10.3806 k = 0.0000 0.9265 0.2038 ( 7022 PWs) bands (ev): -5.8886 -5.8886 -5.6819 -5.6819 3.5320 3.5320 3.5573 3.5573 3.7181 3.7181 4.2664 4.2664 4.5391 4.5391 4.6865 4.6865 4.8372 4.8372 4.9252 4.9252 6.1734 6.1734 6.2985 6.2985 6.9853 6.9853 7.1513 7.1513 7.3597 7.3597 7.5161 7.5161 7.5503 7.5503 7.8636 7.8636 7.9718 7.9718 8.3998 8.3998 8.4693 8.4693 8.7164 8.7164 9.6744 9.6744 10.4214 10.4214 k = 0.0000 0.9265 0.2223 ( 7018 PWs) bands (ev): -5.8759 -5.8759 -5.6957 -5.6957 3.5407 3.5407 3.5915 3.5915 3.7244 3.7244 4.2447 4.2447 4.5468 4.5468 4.6764 4.6764 4.8309 4.8309 4.8939 4.8939 6.1819 6.1819 6.2907 6.2907 6.9895 6.9895 7.1263 7.1263 7.3922 7.3922 7.5092 7.5092 7.5412 7.5412 7.8325 7.8325 8.0006 8.0006 8.3671 8.3671 8.4930 8.4930 8.7077 8.7077 9.7365 9.7365 10.4473 10.4473 k = 0.0000 0.9265 0.2408 ( 7022 PWs) bands (ev): -5.8625 -5.8625 -5.7102 -5.7102 3.5497 3.5497 3.6140 3.6140 3.7449 3.7449 4.2165 4.2165 4.5553 4.5553 4.6656 4.6656 4.8249 4.8249 4.8676 4.8676 6.1907 6.1907 6.2825 6.2825 6.9938 6.9938 7.1037 7.1037 7.4256 7.4256 7.5036 7.5036 7.5337 7.5337 7.7998 7.7998 8.0292 8.0292 8.3340 8.3340 8.5167 8.5167 8.6976 8.6976 9.8021 9.8021 10.4462 10.4462 k = 0.0000 0.9265 0.2594 ( 7026 PWs) bands (ev): -5.8484 -5.8484 -5.7252 -5.7252 3.5590 3.5590 3.6221 3.6221 3.7816 3.7816 4.1817 4.1817 4.5644 4.5644 4.6544 4.6544 4.8194 4.8194 4.8467 4.8467 6.1998 6.1998 6.2740 6.2740 6.9984 6.9984 7.0834 7.0834 7.4582 7.4582 7.4995 7.4995 7.5289 7.5289 7.7657 7.7657 8.0579 8.0579 8.3011 8.3011 8.5400 8.5400 8.6860 8.6860 9.8706 9.8706 10.4153 10.4153 k = 0.0000 0.9265 0.2779 ( 7020 PWs) bands (ev): -5.8338 -5.8338 -5.7406 -5.7406 3.5685 3.5685 3.6208 3.6208 3.8289 3.8289 4.1407 4.1407 4.5743 4.5743 4.6427 4.6427 4.8147 4.8147 4.8312 4.8312 6.2091 6.2091 6.2652 6.2652 7.0037 7.0037 7.0657 7.0657 7.4843 7.4843 7.4972 7.4972 7.5322 7.5322 7.7307 7.7307 8.0866 8.0866 8.2686 8.2686 8.5626 8.5626 8.6728 8.6728 9.9414 9.9414 10.3639 10.3639 k = 0.0000 0.9265 0.2964 ( 7022 PWs) bands (ev): -5.8187 -5.8187 -5.7562 -5.7562 3.5783 3.5783 3.6150 3.6150 3.8813 3.8813 4.0944 4.0944 4.5847 4.5847 4.6309 4.6309 4.8114 4.8114 4.8205 4.8205 6.2186 6.2186 6.2561 6.2561 7.0099 7.0099 7.0503 7.0503 7.4930 7.4930 7.4974 7.4974 7.5533 7.5533 7.6947 7.6947 8.1156 8.1156 8.2366 8.2366 8.5842 8.5842 8.6580 8.6580 10.0139 10.0139 10.3013 10.3013 k = 0.0000 0.9265 0.3149 ( 7018 PWs) bands (ev): -5.8033 -5.8033 -5.7719 -5.7719 3.5882 3.5882 3.6070 3.6070 3.9359 3.9359 4.0439 4.0439 4.5958 4.5958 4.6190 4.6190 4.8098 4.8098 4.8138 4.8138 6.2280 6.2280 6.2469 6.2469 7.0173 7.0173 7.0373 7.0373 7.4940 7.4940 7.4968 7.4968 7.5860 7.5860 7.6583 7.6583 8.1450 8.1450 8.2054 8.2054 8.6047 8.6047 8.6417 8.6417 10.0873 10.0873 10.2325 10.2325 k = 0.0000 0.9265 0.3335 ( 7016 PWs) bands (ev): -5.7877 -5.7877 -5.7877 -5.7877 3.5978 3.5978 3.5978 3.5978 3.9906 3.9906 3.9906 3.9906 4.6073 4.6073 4.6073 4.6073 4.8104 4.8104 4.8104 4.8104 6.2375 6.2375 6.2375 6.2375 7.0264 7.0264 7.0264 7.0264 7.4952 7.4952 7.4952 7.4952 7.6218 7.6218 7.6218 7.6218 8.1749 8.1749 8.1749 8.1749 8.6239 8.6239 8.6239 8.6239 10.1606 10.1606 10.1606 10.1606 k = 0.0000 0.9265 0.3335 ( 7016 PWs) bands (ev): -5.7877 -5.7877 -5.7877 -5.7877 3.5978 3.5978 3.5978 3.5978 3.9906 3.9906 3.9906 3.9906 4.6073 4.6073 4.6073 4.6073 4.8104 4.8104 4.8104 4.8104 6.2375 6.2375 6.2375 6.2375 7.0264 7.0264 7.0264 7.0264 7.4952 7.4952 7.4952 7.4952 7.6218 7.6218 7.6218 7.6218 8.1749 8.1749 8.1749 8.1749 8.6239 8.6239 8.6239 8.6239 10.1606 10.1606 10.1606 10.1606 k = 0.0181 0.9265 0.3335 ( 7022 PWs) bands (ev): -5.7877 -5.7877 -5.7877 -5.7877 3.5982 3.5982 3.5985 3.5985 3.9908 3.9908 3.9914 3.9914 4.6066 4.6066 4.6069 4.6069 4.8093 4.8093 4.8102 4.8102 6.2369 6.2369 6.2380 6.2380 7.0259 7.0259 7.0286 7.0286 7.4950 7.4950 7.4958 7.4958 7.6215 7.6215 7.6222 7.6222 8.1730 8.1730 8.1738 8.1738 8.6229 8.6229 8.6234 8.6234 10.1613 10.1613 10.1621 10.1621 k = 0.0362 0.9265 0.3335 ( 7016 PWs) bands (ev): -5.7877 -5.7877 -5.7877 -5.7877 3.5997 3.5997 3.6002 3.6002 3.9919 3.9919 3.9931 3.9931 4.6050 4.6050 4.6056 4.6056 4.8067 4.8067 4.8085 4.8085 6.2364 6.2364 6.2385 6.2385 7.0270 7.0270 7.0323 7.0323 7.4951 7.4951 7.4968 7.4968 7.6213 7.6213 7.6226 7.6226 8.1682 8.1682 8.1699 8.1699 8.6204 8.6204 8.6213 8.6213 10.1641 10.1641 10.1658 10.1658 k = 0.0543 0.9265 0.3335 ( 7018 PWs) bands (ev): -5.7878 -5.7878 -5.7878 -5.7878 3.6022 3.6022 3.6029 3.6029 3.9939 3.9939 3.9957 3.9957 4.6023 4.6023 4.6032 4.6032 4.8029 4.8029 4.8055 4.8055 6.2359 6.2359 6.2391 6.2391 7.0298 7.0298 7.0376 7.0376 7.4955 7.4955 7.4980 7.4980 7.6211 7.6211 7.6231 7.6231 8.1608 8.1608 8.1634 8.1634 8.6165 8.6165 8.6180 8.6180 10.1690 10.1690 10.1715 10.1715 k = 0.0724 0.9265 0.3335 ( 7028 PWs) bands (ev): -5.7880 -5.7880 -5.7880 -5.7880 3.6057 3.6057 3.6066 3.6066 3.9968 3.9968 3.9993 3.9993 4.5985 4.5985 4.5997 4.5997 4.7980 4.7980 4.8013 4.8013 6.2355 6.2355 6.2397 6.2397 7.0342 7.0342 7.0442 7.0442 7.4961 7.4961 7.4993 7.4993 7.6211 7.6211 7.6237 7.6237 8.1509 8.1509 8.1543 8.1543 8.6114 8.6114 8.6134 8.6134 10.1757 10.1757 10.1790 10.1790 k = 0.0905 0.9265 0.3335 ( 7028 PWs) bands (ev): -5.7881 -5.7881 -5.7881 -5.7881 3.6101 3.6101 3.6111 3.6111 4.0005 4.0005 4.0036 4.0036 4.5937 4.5937 4.5951 4.5951 4.7922 4.7922 4.7962 4.7962 6.2354 6.2354 6.2404 6.2404 7.0399 7.0399 7.0519 7.0519 7.4968 7.4968 7.5004 7.5004 7.6210 7.6210 7.6242 7.6242 8.1390 8.1390 8.1432 8.1432 8.6052 8.6052 8.6079 8.6079 10.1839 10.1839 10.1881 10.1881 k = 0.1086 0.9265 0.3335 ( 7026 PWs) bands (ev): -5.7884 -5.7884 -5.7883 -5.7883 3.6153 3.6153 3.6165 3.6165 4.0049 4.0049 4.0086 4.0086 4.5876 4.5876 4.5893 4.5893 4.7858 4.7858 4.7902 4.7902 6.2357 6.2357 6.2415 6.2415 7.0468 7.0468 7.0604 7.0604 7.4973 7.4973 7.5012 7.5012 7.6209 7.6209 7.6246 7.6246 8.1254 8.1254 8.1305 8.1305 8.5983 8.5983 8.6016 8.6016 10.1934 10.1934 10.1984 10.1984 k = 0.1267 0.9265 0.3335 ( 7026 PWs) bands (ev): -5.7886 -5.7886 -5.7886 -5.7886 3.6212 3.6212 3.6226 3.6226 4.0100 4.0100 4.0143 4.0143 4.5804 4.5804 4.5823 4.5823 4.7790 4.7790 4.7838 4.7838 6.2365 6.2365 6.2429 6.2429 7.0547 7.0547 7.0696 7.0696 7.4972 7.4972 7.5013 7.5013 7.6207 7.6207 7.6248 7.6248 8.1108 8.1108 8.1168 8.1168 8.5909 8.5909 8.5949 8.5949 10.2037 10.2037 10.2094 10.2094 k = 0.1448 0.9265 0.3335 ( 7024 PWs) bands (ev): -5.7889 -5.7889 -5.7888 -5.7888 3.6277 3.6277 3.6292 3.6292 4.0156 4.0156 4.0204 4.0204 4.5720 4.5720 4.5740 4.5740 4.7721 4.7721 4.7772 4.7772 6.2379 6.2379 6.2449 6.2449 7.0632 7.0632 7.0791 7.0791 7.4964 7.4964 7.5005 7.5005 7.6203 7.6203 7.6248 7.6248 8.0959 8.0959 8.1027 8.1027 8.5832 8.5832 8.5879 8.5879 10.2143 10.2143 10.2209 10.2209 k = 0.1629 0.9265 0.3335 ( 7020 PWs) bands (ev): -5.7891 -5.7891 -5.7891 -5.7891 3.6346 3.6346 3.6362 3.6362 4.0215 4.0215 4.0268 4.0268 4.5625 4.5625 4.5647 4.5647 4.7654 4.7654 4.7705 4.7705 6.2401 6.2401 6.2476 6.2476 7.0721 7.0721 7.0887 7.0887 7.4945 7.4945 7.4984 7.4984 7.6198 7.6198 7.6245 7.6245 8.0814 8.0814 8.0889 8.0889 8.5756 8.5756 8.5808 8.5808 10.2249 10.2249 10.2321 10.2321 k = 0.1810 0.9265 0.3335 ( 7020 PWs) bands (ev): -5.7895 -5.7895 -5.7895 -5.7895 3.6417 3.6417 3.6434 3.6434 4.0275 4.0275 4.0333 4.0333 4.5522 4.5522 4.5544 4.5544 4.7590 4.7590 4.7640 4.7640 6.2430 6.2430 6.2510 6.2510 7.0811 7.0811 7.0980 7.0980 7.4912 7.4912 7.4949 7.4949 7.6190 7.6190 7.6240 7.6240 8.0680 8.0680 8.0762 8.0762 8.5681 8.5681 8.5740 8.5740 10.2348 10.2348 10.2426 10.2426 k = 0.1991 0.9265 0.3335 ( 7024 PWs) bands (ev): -5.7898 -5.7898 -5.7898 -5.7898 3.6490 3.6490 3.6505 3.6505 4.0333 4.0333 4.0396 4.0396 4.5413 4.5413 4.5435 4.5435 4.7530 4.7530 4.7578 4.7578 6.2470 6.2470 6.2553 6.2553 7.0897 7.0897 7.1067 7.1067 7.4861 7.4861 7.4896 7.4896 7.6180 7.6180 7.6232 7.6232 8.0564 8.0564 8.0653 8.0653 8.5610 8.5610 8.5674 8.5674 10.2436 10.2436 10.2520 10.2520 k = 0.2172 0.9265 0.3335 ( 7030 PWs) bands (ev): -5.7901 -5.7901 -5.7901 -5.7901 3.6561 3.6561 3.6575 3.6575 4.0389 4.0389 4.0455 4.0455 4.5301 4.5301 4.5325 4.5325 4.7476 4.7476 4.7520 4.7520 6.2518 6.2518 6.2606 6.2606 7.0976 7.0976 7.1146 7.1146 7.4793 7.4793 7.4826 7.4826 7.6168 7.6168 7.6222 7.6222 8.0473 8.0473 8.0568 8.0568 8.5545 8.5545 8.5614 8.5614 10.2509 10.2509 10.2596 10.2596 k = 0.2353 0.9265 0.3335 ( 7022 PWs) bands (ev): -5.7905 -5.7905 -5.7905 -5.7905 3.6628 3.6628 3.6640 3.6640 4.0437 4.0437 4.0506 4.0506 4.5193 4.5193 4.5217 4.5217 4.7428 4.7428 4.7466 4.7466 6.2577 6.2577 6.2668 6.2668 7.1043 7.1043 7.1211 7.1211 7.4706 7.4706 7.4739 7.4739 7.6155 7.6155 7.6211 7.6211 8.0411 8.0411 8.0512 8.0512 8.5487 8.5487 8.5559 8.5559 10.2562 10.2562 10.2652 10.2652 k = 0.2534 0.9265 0.3335 ( 7024 PWs) bands (ev): -5.7909 -5.7909 -5.7908 -5.7908 3.6689 3.6689 3.6698 3.6698 4.0476 4.0476 4.0546 4.0546 4.5093 4.5093 4.5117 4.5117 4.7385 4.7385 4.7417 4.7417 6.2647 6.2647 6.2741 6.2741 7.1094 7.1094 7.1260 7.1260 7.4604 7.4604 7.4640 7.4640 7.6144 7.6144 7.6201 7.6201 8.0381 8.0381 8.0487 8.0487 8.5436 8.5436 8.5510 8.5510 10.2592 10.2592 10.2684 10.2684 k = 0.2715 0.9265 0.3335 ( 7028 PWs) bands (ev): -5.7912 -5.7912 -5.7912 -5.7912 3.6740 3.6740 3.6745 3.6745 4.0504 4.0504 4.0572 4.0572 4.5007 4.5007 4.5030 4.5030 4.7347 4.7347 4.7371 4.7371 6.2727 6.2727 6.2825 6.2825 7.1124 7.1124 7.1287 7.1287 7.4493 7.4493 7.4533 7.4533 7.6133 7.6133 7.6193 7.6193 8.0384 8.0384 8.0495 8.0495 8.5393 8.5393 8.5469 8.5469 10.2599 10.2599 10.2692 10.2692 k = 0.2715 0.9265 0.3335 ( 7028 PWs) bands (ev): -5.7912 -5.7912 -5.7912 -5.7912 3.6740 3.6740 3.6745 3.6745 4.0504 4.0504 4.0572 4.0572 4.5007 4.5007 4.5030 4.5030 4.7347 4.7347 4.7371 4.7371 6.2727 6.2727 6.2825 6.2825 7.1124 7.1124 7.1287 7.1287 7.4493 7.4493 7.4533 7.4533 7.6133 7.6133 7.6193 7.6193 8.0384 8.0384 8.0495 8.0495 8.5393 8.5393 8.5469 8.5469 10.2599 10.2599 10.2692 10.2692 k = 0.2661 0.9083 0.3335 ( 7028 PWs) bands (ev): -5.7900 -5.7900 -5.7900 -5.7900 3.6555 3.6555 3.6577 3.6577 4.0429 4.0429 4.0505 4.0505 4.5263 4.5263 4.5295 4.5295 4.7490 4.7490 4.7550 4.7550 6.2434 6.2434 6.2518 6.2518 7.1061 7.1061 7.1236 7.1236 7.4891 7.4891 7.4905 7.4905 7.6191 7.6191 7.6241 7.6241 8.0327 8.0327 8.0420 8.0420 8.5536 8.5536 8.5610 8.5610 10.2621 10.2621 10.2715 10.2715 k = 0.2608 0.8901 0.3335 ( 7024 PWs) bands (ev): -5.7890 -5.7890 -5.7889 -5.7889 3.6344 3.6344 3.6380 3.6380 4.0360 4.0360 4.0442 4.0442 4.5458 4.5458 4.5506 4.5506 4.7648 4.7648 4.7751 4.7751 6.2192 6.2192 6.2261 6.2261 7.1010 7.1010 7.1198 7.1198 7.5197 7.5197 7.5217 7.5217 7.6320 7.6320 7.6350 7.6350 8.0301 8.0301 8.0374 8.0374 8.5678 8.5678 8.5752 8.5752 10.2653 10.2653 10.2750 10.2750 k = 0.2555 0.8720 0.3335 ( 7032 PWs) bands (ev): -5.7882 -5.7882 -5.7881 -5.7881 3.6109 3.6109 3.6156 3.6156 4.0298 4.0298 4.0385 4.0385 4.5598 4.5598 4.5668 4.5668 4.7810 4.7810 4.7960 4.7960 6.2010 6.2010 6.2064 6.2064 7.0970 7.0970 7.1174 7.1174 7.5382 7.5382 7.5440 7.5440 7.6542 7.6542 7.6549 7.6549 8.0304 8.0304 8.0358 8.0358 8.5816 8.5816 8.5890 8.5890 10.2694 10.2694 10.2795 10.2795 k = 0.2502 0.8538 0.3335 ( 7044 PWs) bands (ev): -5.7877 -5.7877 -5.7876 -5.7876 3.5852 3.5852 3.5909 3.5909 4.0242 4.0242 4.0334 4.0334 4.5696 4.5696 4.5788 4.5788 4.7960 4.7960 4.8157 4.8157 6.1894 6.1894 6.1933 6.1933 7.0942 7.0942 7.1163 7.1163 7.5476 7.5476 7.5561 7.5561 7.6834 7.6834 7.6841 7.6841 8.0338 8.0338 8.0374 8.0374 8.5945 8.5945 8.6021 8.6021 10.2744 10.2744 10.2851 10.2851 k = 0.2448 0.8356 0.3335 ( 7036 PWs) bands (ev): -5.7875 -5.7875 -5.7874 -5.7874 3.5576 3.5576 3.5641 3.5641 4.0193 4.0193 4.0288 4.0288 4.5762 4.5762 4.5875 4.5875 4.8085 4.8085 4.8325 4.8325 6.1851 6.1851 6.1875 6.1875 7.0926 7.0926 7.1164 7.1164 7.5514 7.5514 7.5616 7.5616 7.7167 7.7167 7.7180 7.7180 8.0403 8.0403 8.0421 8.0421 8.6062 8.6062 8.6142 8.6142 10.2800 10.2800 10.2916 10.2916 k = 0.2395 0.8175 0.3335 ( 7040 PWs) bands (ev): -5.7876 -5.7876 -5.7874 -5.7874 3.5283 3.5283 3.5354 3.5354 4.0150 4.0150 4.0248 4.0248 4.5805 4.5805 4.5936 4.5936 4.8171 4.8171 4.8450 4.8450 6.1883 6.1883 6.1894 6.1894 7.0919 7.0919 7.1177 7.1177 7.5520 7.5520 7.5632 7.5632 7.7518 7.7518 7.7533 7.7533 8.0498 8.0498 8.0502 8.0502 8.6164 8.6164 8.6247 8.6247 10.2859 10.2859 10.2987 10.2987 k = 0.2342 0.7993 0.3335 ( 7032 PWs) bands (ev): -5.7879 -5.7879 -5.7877 -5.7877 3.4975 3.4975 3.5051 3.5051 4.0113 4.0113 4.0213 4.0213 4.5830 4.5830 4.5978 4.5978 4.8212 4.8212 4.8524 4.8524 6.1992 6.1992 6.1992 6.1992 7.0923 7.0923 7.1201 7.1201 7.5509 7.5509 7.5627 7.5627 7.7870 7.7870 7.7887 7.7887 8.0615 8.0615 8.0624 8.0624 8.6247 8.6247 8.6335 8.6335 10.2919 10.2919 10.3063 10.3063 k = 0.2289 0.7811 0.3335 ( 7024 PWs) bands (ev): -5.7885 -5.7885 -5.7883 -5.7883 3.4654 3.4654 3.4733 3.4733 4.0081 4.0081 4.0183 4.0183 4.5842 4.5842 4.6004 4.6004 4.8204 4.8204 4.8544 4.8544 6.2167 6.2167 6.2176 6.2176 7.0936 7.0936 7.1234 7.1234 7.5487 7.5487 7.5608 7.5608 7.8214 7.8214 7.8235 7.8235 8.0763 8.0763 8.0780 8.0780 8.6307 8.6307 8.6401 8.6401 10.2974 10.2974 10.3138 10.3138 k = 0.2236 0.7630 0.3335 ( 7024 PWs) bands (ev): -5.7894 -5.7894 -5.7892 -5.7892 3.4322 3.4322 3.4404 3.4404 4.0054 4.0054 4.0158 4.0158 4.5842 4.5842 4.6017 4.6017 4.8146 4.8146 4.8508 4.8508 6.2415 6.2415 6.2431 6.2431 7.0956 7.0956 7.1277 7.1277 7.5460 7.5460 7.5579 7.5579 7.8545 7.8545 7.8572 7.8572 8.0944 8.0944 8.0967 8.0967 8.6343 8.6343 8.6442 8.6442 10.3018 10.3018 10.3209 10.3209 k = 0.2182 0.7448 0.3335 ( 7020 PWs) bands (ev): -5.7906 -5.7906 -5.7903 -5.7903 3.3980 3.3980 3.4064 3.4064 4.0032 4.0032 4.0138 4.0138 4.5833 4.5833 4.6019 4.6019 4.8042 4.8042 4.8421 4.8421 6.2730 6.2730 6.2751 6.2751 7.0985 7.0985 7.1328 7.1328 7.5431 7.5431 7.5546 7.5546 7.8861 7.8861 7.8897 7.8897 8.1158 8.1158 8.1183 8.1183 8.6352 8.6352 8.6457 8.6457 10.3044 10.3044 10.3267 10.3267 k = 0.2129 0.7266 0.3335 ( 7016 PWs) bands (ev): -5.7921 -5.7921 -5.7918 -5.7918 3.3632 3.3632 3.3717 3.3717 4.0014 4.0014 4.0121 4.0121 4.5816 4.5816 4.6011 4.6011 4.7896 4.7896 4.8286 4.8286 6.3104 6.3104 6.3127 6.3127 7.1019 7.1019 7.1386 7.1386 7.5403 7.5403 7.5510 7.5510 7.9162 7.9162 7.9208 7.9208 8.1405 8.1405 8.1429 8.1429 8.6332 8.6332 8.6443 8.6443 10.3040 10.3040 10.3302 10.3302 k = 0.2076 0.7085 0.3335 ( 7006 PWs) bands (ev): -5.7939 -5.7939 -5.7936 -5.7936 3.3277 3.3277 3.3363 3.3363 4.0001 4.0001 4.0110 4.0110 4.5790 4.5790 4.5994 4.5994 4.7713 4.7713 4.8111 4.8111 6.3527 6.3527 6.3551 6.3551 7.1058 7.1058 7.1449 7.1449 7.5378 7.5378 7.5475 7.5475 7.9448 7.9448 7.9507 7.9507 8.1682 8.1682 8.1702 8.1702 8.6283 8.6283 8.6401 8.6401 10.2998 10.2998 10.3300 10.3300 k = 0.2023 0.6903 0.3335 ( 7014 PWs) bands (ev): -5.7961 -5.7961 -5.7957 -5.7957 3.2918 3.2918 3.3004 3.3004 3.9993 3.9993 4.0102 4.0102 4.5756 4.5756 4.5967 4.5967 4.7500 4.7500 4.7900 4.7900 6.3991 6.3991 6.4015 6.4015 7.1101 7.1101 7.1516 7.1516 7.5361 7.5361 7.5444 7.5444 7.9720 7.9720 7.9792 7.9792 8.1986 8.1986 8.2001 8.2001 8.6205 8.6205 8.6330 8.6330 10.2909 10.2909 10.3249 10.3249 k = 0.1969 0.6721 0.3335 ( 7014 PWs) bands (ev): -5.7985 -5.7985 -5.7981 -5.7981 3.2557 3.2557 3.2641 3.2641 3.9989 3.9989 4.0099 4.0099 4.5713 4.5713 4.5930 4.5930 4.7261 4.7261 4.7661 4.7661 6.4484 6.4484 6.4508 6.4508 7.1146 7.1146 7.1583 7.1583 7.5354 7.5354 7.5421 7.5421 7.9980 7.9980 8.0066 8.0066 8.2314 8.2314 8.2322 8.2322 8.6101 8.6101 8.6233 8.6233 10.2774 10.2774 10.3140 10.3140 k = 0.1916 0.6540 0.3335 ( 7020 PWs) bands (ev): -5.8012 -5.8012 -5.8008 -5.8008 3.2193 3.2193 3.2276 3.2276 3.9989 3.9989 4.0100 4.0100 4.5660 4.5660 4.5882 4.5882 4.7002 4.7002 4.7398 4.7398 6.4999 6.4999 6.5023 6.5023 7.1190 7.1190 7.1648 7.1648 7.5363 7.5363 7.5413 7.5413 8.0229 8.0229 8.0329 8.0329 8.2661 8.2661 8.2662 8.2662 8.5974 8.5974 8.6115 8.6115 10.2601 10.2601 10.2980 10.2980 k = 0.1863 0.6358 0.3335 ( 7024 PWs) bands (ev): -5.8043 -5.8043 -5.8039 -5.8039 3.1830 3.1830 3.1910 3.1910 3.9995 3.9995 4.0106 4.0106 4.5598 4.5598 4.5823 4.5823 4.6728 4.6728 4.7117 4.7117 6.5525 6.5525 6.5549 6.5549 7.1232 7.1232 7.1707 7.1707 7.5393 7.5393 7.5426 7.5426 8.0467 8.0467 8.0580 8.0580 8.3012 8.3012 8.3023 8.3023 8.5833 8.5833 8.5984 8.5984 10.2402 10.2402 10.2784 10.2784 k = 0.1810 0.6176 0.3335 ( 7020 PWs) bands (ev): -5.8077 -5.8077 -5.8072 -5.8072 3.1467 3.1467 3.1545 3.1545 4.0006 4.0006 4.0117 4.0117 4.5526 4.5526 4.5751 4.5751 4.6444 4.6444 4.6823 4.6823 6.6052 6.6052 6.6079 6.6079 7.1268 7.1268 7.1757 7.1757 7.5451 7.5451 7.5466 7.5466 8.0693 8.0693 8.0817 8.0817 8.3365 8.3365 8.3389 8.3389 8.5689 8.5689 8.5854 8.5854 10.2189 10.2189 10.2567 10.2567 k = 0.1757 0.5995 0.3335 ( 7020 PWs) bands (ev): -5.8113 -5.8113 -5.8109 -5.8109 3.1106 3.1106 3.1180 3.1180 4.0022 4.0022 4.0132 4.0132 4.5441 4.5441 4.5663 4.5663 4.6156 4.6156 4.6520 4.6520 6.6572 6.6572 6.6602 6.6602 7.1297 7.1297 7.1793 7.1793 7.5542 7.5542 7.5543 7.5543 8.0900 8.0900 8.1036 8.1036 8.3706 8.3706 8.3745 8.3745 8.5567 8.5567 8.5748 8.5748 10.1969 10.1969 10.2342 10.2342 k = 0.1703 0.5813 0.3335 ( 7020 PWs) bands (ev): -5.8153 -5.8153 -5.8148 -5.8148 3.0747 3.0747 3.0817 3.0817 4.0043 4.0043 4.0153 4.0153 4.5340 4.5340 4.5545 4.5545 4.5879 4.5879 4.6213 4.6213 6.7074 6.7074 6.7111 6.7111 7.1315 7.1315 7.1811 7.1811 7.5665 7.5665 7.5676 7.5676 8.1080 8.1080 8.1225 8.1225 8.4010 8.4010 8.4064 8.4064 8.5508 8.5508 8.5705 8.5705 10.1750 10.1750 10.2115 10.2115 k = 0.1650 0.5631 0.3335 ( 7016 PWs) bands (ev): -5.8196 -5.8196 -5.8190 -5.8190 3.0392 3.0392 3.0457 3.0457 4.0070 4.0070 4.0178 4.0178 4.5218 4.5218 4.5363 4.5363 4.5651 4.5651 4.5914 4.5914 6.7551 6.7551 6.7596 6.7596 7.1319 7.1319 7.1807 7.1807 7.5841 7.5841 7.5860 7.5860 8.1217 8.1217 8.1368 8.1368 8.4248 8.4248 8.4302 8.4302 8.5573 8.5573 8.5774 8.5774 10.1534 10.1534 10.1893 10.1893 k = 0.1597 0.5450 0.3335 ( 7008 PWs) bands (ev): -5.8241 -5.8241 -5.8236 -5.8236 3.0040 3.0040 3.0101 3.0101 4.0104 4.0104 4.0210 4.0210 4.5059 4.5059 4.5100 4.5100 4.5491 4.5491 4.5636 4.5636 6.7994 6.7994 6.8050 6.8050 7.1307 7.1307 7.1780 7.1780 7.6076 7.6076 7.6100 7.6100 8.1291 8.1291 8.1445 8.1445 8.4420 8.4420 8.4448 8.4448 8.5799 8.5799 8.5981 8.5981 10.1325 10.1325 10.1678 10.1678 k = 0.1544 0.5268 0.3335 ( 7024 PWs) bands (ev): -5.8289 -5.8289 -5.8284 -5.8284 2.9693 2.9693 2.9749 2.9749 4.0144 4.0144 4.0246 4.0246 4.4796 4.4796 4.4846 4.4846 4.5360 4.5360 4.5402 4.5402 6.8395 6.8395 6.8465 6.8465 7.1278 7.1278 7.1730 7.1730 7.6374 7.6374 7.6401 7.6401 8.1283 8.1283 8.1434 8.1434 8.4565 8.4565 8.4572 8.4572 8.6147 8.6147 8.6306 8.6306 10.1123 10.1123 10.1470 10.1470 k = 0.1490 0.5087 0.3335 ( 7028 PWs) bands (ev): -5.8340 -5.8340 -5.8334 -5.8334 2.9351 2.9351 2.9401 2.9401 4.0190 4.0190 4.0289 4.0289 4.4476 4.4476 4.4573 4.4573 4.5217 4.5217 4.5234 4.5234 6.8748 6.8748 6.8834 6.8834 7.1235 7.1235 7.1660 7.1660 7.6735 7.6735 7.6764 7.6764 8.1184 8.1184 8.1328 8.1328 8.4719 8.4719 8.4761 8.4761 8.6566 8.6566 8.6705 8.6705 10.0928 10.0928 10.1269 10.1269 k = 0.1437 0.4905 0.3335 ( 7024 PWs) bands (ev): -5.8392 -5.8392 -5.8387 -5.8387 2.9015 2.9015 2.9059 2.9059 4.0243 4.0243 4.0337 4.0337 4.4148 4.4148 4.4258 4.4258 4.5068 4.5068 4.5109 4.5109 6.9047 6.9047 6.9152 6.9152 7.1178 7.1178 7.1574 7.1574 7.7153 7.7153 7.7186 7.7186 8.1001 8.1001 8.1135 8.1135 8.4942 8.4942 8.5014 8.5014 8.7023 8.7023 8.7148 8.7148 10.0739 10.0739 10.1076 10.1076 k = 0.1384 0.4723 0.3335 ( 7010 PWs) bands (ev): -5.8447 -5.8447 -5.8442 -5.8442 2.8684 2.8684 2.8722 2.8722 4.0301 4.0301 4.0391 4.0391 4.3815 4.3815 4.3921 4.3921 4.4937 4.4937 4.4985 4.4985 6.9286 6.9286 6.9411 6.9411 7.1116 7.1116 7.1481 7.1481 7.7621 7.7621 7.7663 7.7663 8.0756 8.0756 8.0875 8.0875 8.5237 8.5237 8.5335 8.5335 8.7504 8.7504 8.7620 8.7620 10.0555 10.0555 10.0887 10.0887 k = 0.1331 0.4542 0.3335 ( 7006 PWs) bands (ev): -5.8504 -5.8504 -5.8499 -5.8499 2.8360 2.8360 2.8392 2.8392 4.0366 4.0366 4.0448 4.0448 4.3477 4.3477 4.3570 4.3570 4.4818 4.4818 4.4861 4.4861 6.9460 6.9460 6.9604 6.9604 7.1056 7.1056 7.1390 7.1390 7.8119 7.8119 7.8180 7.8180 8.0481 8.0481 8.0576 8.0576 8.5595 8.5595 8.5715 8.5715 8.7999 8.7999 8.8108 8.8108 10.0374 10.0374 10.0700 10.0700 k = 0.1277 0.4360 0.3335 ( 6998 PWs) bands (ev): -5.8563 -5.8563 -5.8558 -5.8558 2.8043 2.8043 2.8069 2.8069 4.0435 4.0435 4.0510 4.0510 4.3137 4.3137 4.3213 4.3213 4.4707 4.4707 4.4740 4.4740 6.9561 6.9561 6.9723 6.9723 7.1009 7.1009 7.1314 7.1314 7.8605 7.8605 7.8713 7.8713 8.0231 8.0231 8.0275 8.0275 8.6007 8.6007 8.6147 8.6147 8.8504 8.8504 8.8608 8.8608 10.0192 10.0192 10.0511 10.0511 k = 0.1224 0.4178 0.3335 ( 6998 PWs) bands (ev): -5.8623 -5.8623 -5.8618 -5.8618 2.7733 2.7733 2.7752 2.7752 4.0508 4.0508 4.0574 4.0574 4.2795 4.2795 4.2852 4.2852 4.4606 4.4606 4.4626 4.4626 6.9586 6.9586 6.9761 6.9761 7.0980 7.0980 7.1260 7.1260 7.8946 7.8946 7.9162 7.9162 8.0079 8.0079 8.0145 8.0145 8.6464 8.6464 8.6624 8.6624 8.9014 8.9014 8.9116 8.9116 10.0002 10.0002 10.0313 10.0313 k = 0.1171 0.3997 0.3335 ( 6990 PWs) bands (ev): -5.8684 -5.8684 -5.8679 -5.8679 2.7431 2.7431 2.7444 2.7444 4.0582 4.0582 4.0638 4.0638 4.2452 4.2452 4.2491 4.2491 4.4516 4.4516 4.4519 4.4519 6.9538 6.9538 6.9721 6.9721 7.0969 7.0969 7.1230 7.1230 7.8942 7.8942 7.9211 7.9211 8.0305 8.0305 8.0428 8.0428 8.6960 8.6960 8.7141 8.7141 8.9528 8.9528 8.9626 8.9626 9.9797 9.9797 10.0096 10.0096 k = 0.1118 0.3815 0.3335 ( 6990 PWs) bands (ev): -5.8746 -5.8746 -5.8741 -5.8741 2.7137 2.7137 2.7144 2.7144 4.0655 4.0655 4.0698 4.0698 4.2112 4.2112 4.2134 4.2134 4.4424 4.4424 4.4437 4.4437 6.9431 6.9431 6.9615 6.9615 7.0965 7.0965 7.1213 7.1213 7.8717 7.8717 7.8962 7.8962 8.0855 8.0855 8.0957 8.0957 8.7491 8.7491 8.7693 8.7693 9.0041 9.0041 9.0136 9.0136 9.9567 9.9567 9.9851 9.9851 k = 0.1065 0.3633 0.3335 ( 7006 PWs) bands (ev): -5.8808 -5.8808 -5.8803 -5.8803 2.6851 2.6851 2.6852 2.6852 4.0719 4.0719 4.0746 4.0746 4.1780 4.1780 4.1789 4.1789 4.4344 4.4344 4.4374 4.4374 6.9279 6.9279 6.9458 6.9458 7.0956 7.0956 7.1195 7.1195 7.8438 7.8438 7.8662 7.8662 8.1480 8.1480 8.1566 8.1566 8.8055 8.8055 8.8279 8.8279 9.0551 9.0551 9.0643 9.0643 9.9299 9.9299 9.9567 9.9567 k = 0.1011 0.3452 0.3335 ( 7010 PWs) bands (ev): -5.8871 -5.8871 -5.8866 -5.8866 2.6569 2.6569 2.6574 2.6574 4.0760 4.0760 4.0764 4.0764 4.1469 4.1469 4.1473 4.1473 4.4282 4.4282 4.4328 4.4328 6.9094 6.9094 6.9266 6.9266 7.0931 7.0931 7.1162 7.1162 7.8160 7.8160 7.8370 7.8370 8.2117 8.2117 8.2195 8.2195 8.8647 8.8647 8.8896 8.8896 9.1057 9.1057 9.1145 9.1145 9.8989 9.8989 9.9244 9.9244 k = 0.0958 0.3270 0.3335 ( 6994 PWs) bands (ev): -5.8933 -5.8933 -5.8928 -5.8928 2.6297 2.6297 2.6306 2.6306 4.0700 4.0700 4.0733 4.0733 4.1223 4.1223 4.1238 4.1238 4.4240 4.4240 4.4303 4.4303 6.8885 6.8885 6.9049 6.9049 7.0882 7.0882 7.1105 7.1105 7.7905 7.7905 7.8102 7.8102 8.2747 8.2747 8.2819 8.2819 8.9267 8.9267 8.9543 8.9543 9.1555 9.1555 9.1638 9.1638 9.8641 9.8641 9.8891 9.8891 k = 0.0905 0.3088 0.3335 ( 7000 PWs) bands (ev): -5.8995 -5.8995 -5.8990 -5.8990 2.6034 2.6034 2.6048 2.6048 4.0496 4.0496 4.0558 4.0558 4.1121 4.1121 4.1143 4.1143 4.4222 4.4222 4.4299 4.4299 6.8660 6.8660 6.8814 6.8814 7.0805 7.0805 7.1018 7.1018 7.7680 7.7680 7.7865 7.7865 8.3355 8.3355 8.3422 8.3422 8.9913 8.9913 9.0219 9.0219 9.2044 9.2044 9.2121 9.2121 9.8271 9.8271 9.8527 9.8527 k = 0.0852 0.2907 0.3335 ( 7008 PWs) bands (ev): -5.9056 -5.9056 -5.9051 -5.9051 2.5783 2.5783 2.5801 2.5801 4.0209 4.0209 4.0283 4.0283 4.1115 4.1115 4.1129 4.1129 4.4230 4.4230 4.4319 4.4319 6.8423 6.8423 6.8568 6.8568 7.0701 7.0701 7.0901 7.0901 7.7490 7.7490 7.7661 7.7661 8.3929 8.3929 8.3992 8.3992 9.0581 9.0581 9.0922 9.0922 9.2523 9.2523 9.2594 9.2594 9.7899 9.7899 9.8175 9.8175 k = 0.0798 0.2725 0.3335 ( 7016 PWs) bands (ev): -5.9115 -5.9115 -5.9111 -5.9111 2.5543 2.5543 2.5564 2.5564 3.9901 3.9901 3.9982 3.9982 4.1130 4.1130 4.1134 4.1134 4.4264 4.4264 4.4363 4.4363 6.8178 6.8178 6.8315 6.8315 7.0570 7.0570 7.0757 7.0757 7.7333 7.7333 7.7490 7.7490 8.4459 8.4459 8.4517 8.4517 9.1265 9.1265 9.1645 9.1645 9.2992 9.2992 9.3058 9.3058 9.7546 9.7546 9.7854 9.7854 k = 0.0745 0.2543 0.3335 ( 7016 PWs) bands (ev): -5.9173 -5.9173 -5.9169 -5.9169 2.5315 2.5315 2.5339 2.5339 3.9594 3.9594 3.9680 3.9680 4.1139 4.1139 4.1142 4.1142 4.4324 4.4324 4.4430 4.4430 6.7928 6.7928 6.8057 6.8057 7.0417 7.0417 7.0588 7.0588 7.7207 7.7207 7.7350 7.7350 8.4936 8.4936 8.4987 8.4987 9.1957 9.1957 9.2378 9.2378 9.3450 9.3450 9.3520 9.3520 9.7228 9.7228 9.7585 9.7585 k = 0.0692 0.2362 0.3335 ( 7016 PWs) bands (ev): -5.9229 -5.9229 -5.9225 -5.9225 2.5099 2.5099 2.5125 2.5125 3.9297 3.9297 3.9386 3.9386 4.1137 4.1137 4.1146 4.1146 4.4410 4.4410 4.4519 4.4519 6.7677 6.7677 6.7797 6.7797 7.0246 7.0246 7.0401 7.0401 7.7108 7.7108 7.7236 7.7236 8.5353 8.5353 8.5398 8.5398 9.2641 9.2641 9.3096 9.3096 9.3898 9.3898 9.3994 9.3994 9.6962 9.6962 9.7390 9.7390 k = 0.0639 0.2180 0.3335 ( 7008 PWs) bands (ev): -5.9282 -5.9282 -5.9278 -5.9278 2.4897 2.4897 2.4924 2.4924 3.9012 3.9012 3.9103 3.9103 4.1128 4.1128 4.1139 4.1139 4.4516 4.4516 4.4626 4.4626 6.7427 6.7427 6.7540 6.7540 7.0064 7.0064 7.0202 7.0202 7.7031 7.7031 7.7145 7.7145 8.5707 8.5707 8.5744 8.5744 9.3295 9.3295 9.3747 9.3747 9.4329 9.4329 9.4510 9.4510 9.6774 9.6774 9.7299 9.7299 k = 0.0586 0.1998 0.3335 ( 7016 PWs) bands (ev): -5.9332 -5.9332 -5.9329 -5.9329 2.4708 2.4708 2.4736 2.4736 3.8744 3.8744 3.8834 3.8834 4.1111 4.1111 4.1125 4.1125 4.4640 4.4640 4.4748 4.4748 6.7181 6.7181 6.7286 6.7286 6.9875 6.9875 6.9997 6.9997 7.6972 7.6972 7.7073 7.7073 8.5997 8.5997 8.6026 8.6026 9.3890 9.3890 9.4284 9.4284 9.4723 9.4723 9.5053 9.5053 9.6723 9.6723 9.7355 9.7355 k = 0.0532 0.1817 0.3335 ( 7016 PWs) bands (ev): -5.9379 -5.9379 -5.9376 -5.9376 2.4534 2.4534 2.4562 2.4562 3.8495 3.8495 3.8582 3.8582 4.1089 4.1089 4.1103 4.1103 4.4777 4.4777 4.4880 4.4880 6.6943 6.6943 6.7039 6.7039 6.9686 6.9686 6.9793 6.9793 7.6926 7.6926 7.7014 7.7014 8.6225 8.6225 8.6247 8.6247 9.4408 9.4408 9.4719 9.4719 9.5041 9.5041 9.5465 9.5465 9.6948 9.6948 9.7608 9.7608 k = 0.0479 0.1635 0.3335 ( 7028 PWs) bands (ev): -5.9423 -5.9423 -5.9421 -5.9421 2.4375 2.4375 2.4402 2.4402 3.8265 3.8265 3.8348 3.8348 4.1063 4.1063 4.1076 4.1076 4.4921 4.4921 4.5018 4.5018 6.6714 6.6714 6.6803 6.6803 6.9501 6.9501 6.9594 6.9594 7.6890 7.6890 7.6967 7.6967 8.6398 8.6398 8.6412 8.6412 9.4844 9.4844 9.5091 9.5091 9.5258 9.5258 9.5620 9.5620 9.7522 9.7522 9.8072 9.8072 k = 0.0426 0.1453 0.3335 ( 7016 PWs) bands (ev): -5.9463 -5.9463 -5.9461 -5.9461 2.4231 2.4231 2.4257 2.4257 3.8056 3.8056 3.8134 3.8134 4.1034 4.1034 4.1047 4.1047 4.5067 4.5067 4.5157 4.5157 6.6498 6.6498 6.6579 6.6579 6.9326 6.9326 6.9406 6.9406 7.6862 7.6862 7.6927 7.6927 8.6522 8.6522 8.6530 8.6530 9.5185 9.5185 9.5418 9.5418 9.5420 9.5420 9.5640 9.5640 9.8290 9.8290 9.8700 9.8700 k = 0.0373 0.1272 0.3335 ( 7028 PWs) bands (ev): -5.9499 -5.9499 -5.9497 -5.9497 2.4104 2.4104 2.4128 2.4128 3.7870 3.7870 3.7941 3.7941 4.1005 4.1005 4.1016 4.1016 4.5212 4.5212 4.5293 4.5293 6.6299 6.6299 6.6370 6.6370 6.9164 6.9164 6.9231 6.9231 7.6838 7.6838 7.6893 7.6893 8.6606 8.6606 8.6610 8.6610 9.5354 9.5354 9.5607 9.5607 9.5648 9.5648 9.5727 9.5727 9.9120 9.9120 9.9421 9.9421 k = 0.0319 0.1090 0.3335 ( 7036 PWs) bands (ev): -5.9531 -5.9531 -5.9529 -5.9529 2.3992 2.3992 2.4014 2.4014 3.7708 3.7708 3.7771 3.7771 4.0977 4.0977 4.0987 4.0987 4.5349 4.5349 4.5420 4.5420 6.6119 6.6119 6.6181 6.6181 6.9018 6.9018 6.9074 6.9074 7.6818 7.6818 7.6865 7.6865 8.6658 8.6658 8.6659 8.6659 9.5416 9.5416 9.5592 9.5592 9.5914 9.5914 9.5980 9.5980 9.9955 9.9955 10.0176 10.0176 k = 0.0266 0.0908 0.3335 ( 7036 PWs) bands (ev): -5.9558 -5.9558 -5.9557 -5.9557 2.3898 2.3898 2.3917 2.3917 3.7570 3.7570 3.7624 3.7624 4.0952 4.0952 4.0960 4.0960 4.5474 4.5474 4.5535 4.5535 6.5961 6.5961 6.6014 6.6014 6.8892 6.8892 6.8937 6.8937 7.6802 7.6802 7.6840 7.6840 8.6687 8.6687 8.6688 8.6688 9.5450 9.5450 9.5575 9.5575 9.6153 9.6153 9.6204 9.6204 10.0758 10.0758 10.0919 10.0919 k = 0.0213 0.0727 0.3335 ( 7028 PWs) bands (ev): -5.9581 -5.9581 -5.9580 -5.9580 2.3820 2.3820 2.3836 2.3836 3.7457 3.7457 3.7502 3.7502 4.0929 4.0929 4.0936 4.0936 4.5584 4.5584 4.5633 4.5633 6.5828 6.5828 6.5871 6.5871 6.8786 6.8786 6.8821 6.8821 7.6789 7.6789 7.6819 7.6819 8.6701 8.6701 8.6703 8.6703 9.5475 9.5475 9.5563 9.5563 9.6354 9.6354 9.6391 9.6391 10.1494 10.1494 10.1609 10.1609 k = 0.0160 0.0545 0.3335 ( 7032 PWs) bands (ev): -5.9599 -5.9599 -5.9598 -5.9598 2.3760 2.3760 2.3772 2.3772 3.7370 3.7370 3.7404 3.7404 4.0912 4.0912 4.0916 4.0916 4.5675 4.5675 4.5712 4.5712 6.5724 6.5724 6.5756 6.5756 6.8703 6.8703 6.8729 6.8729 7.6780 7.6780 7.6802 7.6802 8.6705 8.6705 8.6707 8.6707 9.5495 9.5495 9.5555 9.5555 9.6513 9.6513 9.6538 9.6538 10.2129 10.2129 10.2208 10.2208 k = 0.0106 0.0363 0.3335 ( 7028 PWs) bands (ev): -5.9611 -5.9611 -5.9611 -5.9611 2.3718 2.3718 2.3726 2.3726 3.7310 3.7310 3.7333 3.7333 4.0898 4.0898 4.0901 4.0901 4.5743 4.5743 4.5769 4.5769 6.5649 6.5649 6.5671 6.5671 6.8644 6.8644 6.8661 6.8661 7.6774 7.6774 7.6788 7.6788 8.6705 8.6705 8.6707 8.6707 9.5511 9.5511 9.5549 9.5549 9.6629 9.6629 9.6645 9.6645 10.2627 10.2627 10.2676 10.2676 k = 0.0053 0.0182 0.3335 ( 7030 PWs) bands (ev): -5.9619 -5.9619 -5.9618 -5.9618 2.3693 2.3693 2.3697 2.3697 3.7276 3.7276 3.7287 3.7287 4.0891 4.0891 4.0892 4.0892 4.5788 4.5788 4.5801 4.5801 6.5605 6.5605 6.5616 6.5616 6.8610 6.8610 6.8619 6.8619 7.6771 7.6771 7.6778 7.6778 8.6705 8.6705 8.6706 8.6706 9.5524 9.5524 9.5542 9.5542 9.6700 9.6700 9.6708 9.6708 10.2952 10.2952 10.2974 10.2974 k = 0.0000 0.0000 0.3335 ( 7026 PWs) bands (ev): -5.9621 -5.9621 -5.9621 -5.9621 2.3686 2.3686 2.3686 2.3686 3.7268 3.7268 3.7268 3.7268 4.0889 4.0889 4.0889 4.0889 4.5807 4.5807 4.5807 4.5807 6.5594 6.5594 6.5594 6.5594 6.8602 6.8602 6.8602 6.8602 7.6773 7.6773 7.6773 7.6773 8.6704 8.6704 8.6704 8.6704 9.5534 9.5534 9.5534 9.5534 9.6726 9.6726 9.6726 9.6726 10.3071 10.3071 10.3071 10.3071 k = 0.0000 0.0000 0.3335 ( 7026 PWs) bands (ev): -5.9621 -5.9621 -5.9621 -5.9621 2.3686 2.3686 2.3686 2.3686 3.7268 3.7268 3.7268 3.7268 4.0889 4.0889 4.0889 4.0889 4.5807 4.5807 4.5807 4.5807 6.5594 6.5594 6.5594 6.5594 6.8602 6.8602 6.8602 6.8602 7.6773 7.6773 7.6773 7.6773 8.6704 8.6704 8.6704 8.6704 9.5534 9.5534 9.5534 9.5534 9.6726 9.6726 9.6726 9.6726 10.3071 10.3071 10.3071 10.3071 k = 0.0000 0.0000 0.3149 ( 7024 PWs) bands (ev): -5.9787 -5.9787 -5.9455 -5.9455 2.3456 2.3456 2.3920 2.3920 3.7166 3.7166 3.7278 3.7278 4.0451 4.0451 4.1437 4.1437 4.5678 4.5678 4.5938 4.5938 6.5060 6.5060 6.6141 6.6141 6.8579 6.8579 6.8607 6.8607 7.6414 7.6414 7.7128 7.7128 8.6590 8.6590 8.6841 8.6841 9.5404 9.5404 9.5645 9.5645 9.6365 9.6365 9.7110 9.7110 10.2621 10.2621 10.3506 10.3506 k = 0.0000 0.0000 0.2964 ( 7030 PWs) bands (ev): -5.9950 -5.9950 -5.9288 -5.9288 2.3230 2.3230 2.4155 2.4155 3.6951 3.6951 3.7218 3.7218 4.0154 4.0154 4.2061 4.2061 4.5551 4.5551 4.6070 4.6070 6.4540 6.4540 6.6697 6.6697 6.8539 6.8539 6.8595 6.8595 7.6057 7.6057 7.7475 7.7475 8.6495 8.6495 8.7000 8.7000 9.5258 9.5258 9.5728 9.5728 9.6032 9.6032 9.7515 9.7515 10.2162 10.2162 10.3920 10.3920 k = 0.0000 0.0000 0.2779 ( 7030 PWs) bands (ev): -6.0109 -6.0109 -5.9123 -5.9123 2.3011 2.3011 2.4390 2.4390 3.6621 3.6621 3.7116 3.7116 4.0003 4.0003 4.2731 4.2731 4.5427 4.5427 4.6201 4.6201 6.4037 6.4037 6.7258 6.7258 6.8483 6.8483 6.8568 6.8568 7.5704 7.5704 7.7811 7.7811 8.6421 8.6421 8.7183 8.7183 9.5099 9.5099 9.5669 9.5669 9.5841 9.5841 9.7937 9.7937 10.1699 10.1699 10.4307 10.4307 k = 0.0000 0.0000 0.2594 ( 7026 PWs) bands (ev): -6.0264 -6.0264 -5.8960 -5.8960 2.2799 2.2799 2.4623 2.4623 3.6201 3.6201 3.6991 3.6991 3.9970 3.9970 4.3427 4.3427 4.5308 4.5308 4.6332 4.6332 6.3552 6.3552 6.7816 6.7816 6.8412 6.8412 6.8532 6.8532 7.5360 7.5360 7.8130 7.8130 8.6363 8.6363 8.7389 8.7389 9.4933 9.4933 9.5397 9.5397 9.5863 9.5863 9.8375 9.8375 10.1238 10.1238 10.4661 10.4661 k = 0.0000 0.0000 0.2408 ( 7030 PWs) bands (ev): -6.0413 -6.0413 -5.8802 -5.8802 2.2597 2.2597 2.4851 2.4851 3.5729 3.5729 3.6856 3.6856 4.0017 4.0017 4.4134 4.4134 4.5193 4.5193 4.6460 4.6460 6.3088 6.3088 6.8255 6.8255 6.8380 6.8380 6.8547 6.8547 7.5027 7.5027 7.8429 7.8429 8.6322 8.6322 8.7616 8.7616 9.4761 9.4761 9.5133 9.5133 9.5876 9.5876 9.8825 9.8825 10.0784 10.0784 10.4977 10.4977 k = 0.0000 0.0000 0.2223 ( 7012 PWs) bands (ev): -6.0555 -6.0555 -5.8649 -5.8649 2.2405 2.2405 2.5072 2.5072 3.5237 3.5237 3.6718 3.6718 4.0114 4.0114 4.4832 4.4832 4.5090 4.5090 4.6588 4.6588 6.2646 6.2646 6.8196 6.8196 6.8379 6.8379 6.9002 6.9002 7.4710 7.4710 7.8704 7.8704 8.6295 8.6295 8.7865 8.7865 9.4587 9.4587 9.4892 9.4892 9.5865 9.5865 9.9282 9.9282 10.0343 10.0343 10.5248 10.5248 k = 0.0000 0.0000 0.2038 ( 7032 PWs) bands (ev): -6.0689 -6.0689 -5.8502 -5.8502 2.2224 2.2224 2.5285 2.5285 3.4747 3.4747 3.6582 3.6582 4.0239 4.0239 4.4974 4.4974 4.5535 4.5535 4.6716 4.6716 6.2229 6.2229 6.8081 6.8081 6.8312 6.8312 6.9551 6.9551 7.4410 7.4410 7.8952 7.8952 8.6280 8.6280 8.8131 8.8131 9.4417 9.4417 9.4675 9.4675 9.5830 9.5830 9.9707 9.9707 9.9955 9.9955 10.5449 10.5450 k = 0.0000 0.0000 0.1853 ( 7036 PWs) bands (ev): -6.0815 -6.0815 -5.8363 -5.8363 2.2056 2.2056 2.5488 2.5488 3.4275 3.4275 3.6451 3.6451 4.0379 4.0379 4.4880 4.4880 4.6184 4.6184 4.6857 4.6857 6.1839 6.1839 6.7953 6.7953 6.8233 6.8233 7.0096 7.0096 7.4130 7.4130 7.9171 7.9171 8.6274 8.6274 8.8410 8.8410 9.4252 9.4252 9.4482 9.4482 9.5775 9.5775 9.9476 9.9476 10.0244 10.0244 10.5482 10.5483 k = 0.0000 0.0000 0.1667 ( 7020 PWs) bands (ev): -6.0931 -6.0931 -5.8233 -5.8233 2.1901 2.1901 2.5678 2.5678 3.3831 3.3831 3.6328 3.6328 4.0523 4.0523 4.4792 4.4792 4.6699 4.6699 4.7101 4.7101 6.1477 6.1477 6.7818 6.7818 6.8151 6.8151 7.0625 7.0625 7.3872 7.3872 7.9361 7.9361 8.6277 8.6277 8.8697 8.8697 9.4097 9.4097 9.4312 9.4312 9.5704 9.5704 9.9094 9.9094 10.0704 10.0704 10.5437 10.5437 k = 0.0000 0.0000 0.1482 ( 7012 PWs) bands (ev): -6.1037 -6.1037 -5.8114 -5.8114 2.1760 2.1760 2.5853 2.5853 3.3422 3.3422 3.6214 3.6214 4.0665 4.0665 4.4711 4.4711 4.6923 4.6923 4.7591 4.7591 6.1145 6.1145 6.7678 6.7678 6.8068 6.8068 7.1130 7.1130 7.3638 7.3638 7.9521 7.9521 8.6286 8.6286 8.8985 8.8985 9.3953 9.3953 9.4164 9.4164 9.5622 9.5622 9.8732 9.8732 10.1158 10.1158 10.5381 10.5382 k = 0.0000 0.0000 0.1297 ( 6996 PWs) bands (ev): -6.1132 -6.1132 -5.8005 -5.8005 2.1635 2.1635 2.6011 2.6011 3.3052 3.3052 3.6111 3.6111 4.0801 4.0801 4.4639 4.4639 4.7039 4.7039 4.8136 4.8136 6.0846 6.0846 6.7538 6.7538 6.7986 6.7986 7.1604 7.1604 7.3430 7.3430 7.9652 7.9652 8.6298 8.6298 8.9266 8.9266 9.3824 9.3824 9.4038 9.4038 9.5536 9.5536 9.8400 9.8400 10.1596 10.1596 10.5308 10.5314 k = 0.0000 0.0000 0.1112 ( 7004 PWs) bands (ev): -6.1216 -6.1216 -5.7909 -5.7909 2.1524 2.1524 2.6152 2.6152 3.2726 3.2726 3.6020 3.6020 4.0926 4.0926 4.4575 4.4575 4.7127 4.7127 4.8646 4.8646 6.0581 6.0581 6.7402 6.7402 6.7910 6.7910 7.2038 7.2038 7.3250 7.3250 7.9756 7.9756 8.6313 8.6313 8.9530 8.9530 9.3709 9.3709 9.3934 9.3934 9.5453 9.5453 9.8101 9.8101 10.2009 10.2009 10.5129 10.5143 k = 0.0000 0.0000 0.0926 ( 7000 PWs) bands (ev): -6.1287 -6.1287 -5.7827 -5.7827 2.1430 2.1430 2.6273 2.6273 3.2447 3.2447 3.5941 3.5941 4.1038 4.1038 4.4521 4.4521 4.7199 4.7199 4.9100 4.9100 6.0354 6.0354 6.7276 6.7276 6.7841 6.7841 7.2420 7.2420 7.3103 7.3103 7.9835 7.9835 8.6328 8.6328 8.9769 8.9769 9.3609 9.3609 9.3851 9.3851 9.5380 9.5380 9.7839 9.7839 10.2385 10.2385 10.4798 10.4798 k = 0.0000 0.0000 0.0741 ( 7004 PWs) bands (ev): -6.1347 -6.1347 -5.7758 -5.7758 2.1353 2.1353 2.6373 2.6373 3.2216 3.2216 3.5876 3.5876 4.1133 4.1133 4.4476 4.4476 4.7258 4.7258 4.9486 4.9486 6.0164 6.0164 6.7163 6.7163 6.7781 6.7781 7.2717 7.2717 7.3014 7.3014 7.9893 7.9893 8.6342 8.6342 8.9974 8.9974 9.3527 9.3527 9.3787 9.3787 9.5320 9.5320 9.7618 9.7618 10.2713 10.2713 10.4470 10.4470 k = 0.0000 0.0000 0.0556 ( 6997 PWs) bands (ev): -6.1393 -6.1393 -5.7703 -5.7703 2.1292 2.1292 2.6452 2.6452 3.2036 3.2036 3.5825 3.5825 4.1209 4.1209 4.4441 4.4441 4.7304 4.7304 4.9796 4.9796 6.0015 6.0015 6.7070 6.7070 6.7733 6.7733 7.2794 7.2794 7.3108 7.3108 7.9932 7.9932 8.6354 8.6354 9.0139 9.0139 9.3461 9.3461 9.3739 9.3739 9.5277 9.5277 9.7442 9.7442 10.2983 10.2983 10.4190 10.4190 k = 0.0000 0.0000 0.0371 ( 7007 PWs) bands (ev): -6.1427 -6.1427 -5.7664 -5.7664 2.1248 2.1248 2.6509 2.6509 3.1906 3.1906 3.5788 3.5788 4.1265 4.1265 4.4415 4.4415 4.7336 4.7336 5.0023 5.0023 5.9907 5.9907 6.6999 6.6999 6.7697 6.7697 7.2749 7.2749 7.3282 7.3282 7.9957 7.9957 8.6364 8.6364 9.0259 9.0259 9.3414 9.3414 9.3708 9.3708 9.5249 9.5249 9.7313 9.7313 10.3185 10.3185 10.3977 10.3977 k = 0.0000 0.0000 0.0185 ( 7003 PWs) bands (ev): -6.1447 -6.1447 -5.7641 -5.7641 2.1222 2.1222 2.6543 2.6543 3.1828 3.1828 3.5766 3.5766 4.1298 4.1298 4.4400 4.4400 4.7356 4.7356 5.0162 5.0162 5.9842 5.9842 6.6955 6.6955 6.7675 6.7675 7.2712 7.2712 7.3399 7.3399 7.9970 7.9970 8.6370 8.6370 9.0331 9.0331 9.3386 9.3386 9.3689 9.3689 9.5234 9.5234 9.7235 9.7235 10.3310 10.3310 10.3843 10.3843 k = 0.0000 0.0000 0.0000 ( 6993 PWs) bands (ev): -6.1453 -6.1453 -5.7633 -5.7633 2.1213 2.1213 2.6554 2.6554 3.1802 3.1802 3.5758 3.5758 4.1310 4.1310 4.4395 4.4395 4.7363 4.7363 5.0208 5.0208 5.9821 5.9821 6.6940 6.6940 6.7668 6.7668 7.2699 7.2699 7.3439 7.3439 7.9975 7.9975 8.6372 8.6372 9.0355 9.0355 9.3376 9.3376 9.3683 9.3683 9.5229 9.5229 9.7209 9.7209 10.3352 10.3352 10.3798 10.3798 k = 0.0000 0.0000 0.0000 ( 6993 PWs) bands (ev): -6.1453 -6.1453 -5.7633 -5.7633 2.1213 2.1213 2.6554 2.6554 3.1802 3.1802 3.5758 3.5758 4.1310 4.1310 4.4395 4.4395 4.7363 4.7363 5.0208 5.0208 5.9821 5.9821 6.6940 6.6940 6.7668 6.7668 7.2699 7.2699 7.3439 7.3439 7.9975 7.9975 8.6372 8.6372 9.0355 9.0355 9.3376 9.3376 9.3683 9.3683 9.5229 9.5229 9.7209 9.7209 10.3352 10.3352 10.3798 10.3798 k =-0.0179 0.0052-0.0000 ( 7003 PWs) bands (ev): -6.1452 -6.1452 -5.7632 -5.7632 2.1206 2.1206 2.6569 2.6569 3.1816 3.1816 3.5742 3.5742 4.1301 4.1301 4.4392 4.4392 4.7359 4.7359 5.0209 5.0209 5.9854 5.9854 6.6845 6.6845 6.7697 6.7697 7.2708 7.2708 7.3438 7.3438 7.9974 7.9974 8.6345 8.6345 9.0364 9.0364 9.3378 9.3378 9.3686 9.3686 9.5234 9.5234 9.7213 9.7213 10.3357 10.3357 10.3767 10.3767 k =-0.0357 0.0105-0.0000 ( 6999 PWs) bands (ev): -6.1449 -6.1449 -5.7629 -5.7629 2.1185 2.1185 2.6614 2.6614 3.1856 3.1856 3.5693 3.5693 4.1273 4.1273 4.4383 4.4383 4.7347 4.7347 5.0210 5.0210 5.9954 5.9954 6.6602 6.6602 6.7744 6.7744 7.2731 7.2731 7.3435 7.3435 7.9972 7.9972 8.6267 8.6267 9.0390 9.0390 9.3383 9.3383 9.3694 9.3694 9.5252 9.5252 9.7225 9.7225 10.3368 10.3368 10.3676 10.3676 k =-0.0536 0.0157-0.0000 ( 7011 PWs) bands (ev): -6.1444 -6.1444 -5.7625 -5.7625 2.1152 2.1152 2.6687 2.6687 3.1924 3.1924 3.5614 3.5614 4.1227 4.1227 4.4368 4.4368 4.7327 4.7327 5.0212 5.0212 6.0118 6.0118 6.6265 6.6265 6.7763 6.7763 7.2763 7.2763 7.3429 7.3429 7.9969 7.9969 8.6136 8.6136 9.0434 9.0434 9.3393 9.3393 9.3709 9.3709 9.5286 9.5286 9.7244 9.7244 10.3372 10.3372 10.3546 10.3546 k =-0.0714 0.0209 0.0000 ( 7003 PWs) bands (ev): -6.1437 -6.1437 -5.7619 -5.7619 2.1108 2.1108 2.6786 2.6786 3.2018 3.2018 3.5505 3.5505 4.1165 4.1165 4.4348 4.4348 4.7300 4.7300 5.0215 5.0215 6.0345 6.0345 6.5862 6.5862 6.7736 6.7736 7.2794 7.2794 7.3421 7.3421 7.9962 7.9962 8.5957 8.5957 9.0498 9.0498 9.3411 9.3411 9.3731 9.3731 9.5342 9.5342 9.7270 9.7270 10.3267 10.3267 10.3483 10.3483 k =-0.0893 0.0262-0.0000 ( 7001 PWs) bands (ev): -6.1428 -6.1428 -5.7612 -5.7612 2.1054 2.1054 2.6908 2.6908 3.2137 3.2137 3.5370 3.5370 4.1088 4.1088 4.4322 4.4322 4.7266 4.7266 5.0218 5.0218 6.0631 6.0631 6.5405 6.5405 6.7663 6.7663 7.2814 7.2814 7.3410 7.3410 7.9949 7.9949 8.5730 8.5730 9.0584 9.0584 9.3440 9.3440 9.3762 9.3762 9.5428 9.5428 9.7300 9.7300 10.3037 10.3037 10.3512 10.3512 k =-0.1071 0.0314-0.0000 ( 6985 PWs) bands (ev): -6.1417 -6.1417 -5.7603 -5.7603 2.0994 2.0994 2.7051 2.7051 3.2282 3.2282 3.5211 3.5211 4.0997 4.0997 4.4292 4.4292 4.7226 4.7226 5.0222 5.0222 6.0973 6.0973 6.4905 6.4905 6.7549 6.7549 7.2815 7.2815 7.3397 7.3397 7.9928 7.9928 8.5459 8.5459 9.0696 9.0696 9.3482 9.3482 9.3803 9.3803 9.5549 9.5549 9.7333 9.7333 10.2761 10.2761 10.3561 10.3561 k =-0.1250 0.0366 0.0000 ( 6987 PWs) bands (ev): -6.1404 -6.1404 -5.7593 -5.7593 2.0929 2.0929 2.7211 2.7211 3.2449 3.2449 3.5032 3.5032 4.0897 4.0897 4.4256 4.4256 4.7179 4.7179 5.0227 5.0227 6.1365 6.1365 6.4366 6.4366 6.7399 6.7399 7.2788 7.2788 7.3381 7.3381 7.9893 7.9893 8.5148 8.5148 9.0837 9.0837 9.3539 9.3539 9.3857 9.3857 9.5710 9.5710 9.7368 9.7368 10.2456 10.2456 10.3621 10.3621 k =-0.1429 0.0419 0.0000 ( 6999 PWs) bands (ev): -6.1390 -6.1390 -5.7582 -5.7582 2.0862 2.0862 2.7385 2.7385 3.2637 3.2637 3.4837 3.4837 4.0790 4.0790 4.4217 4.4217 4.7127 4.7127 5.0233 5.0233 6.1803 6.1803 6.3792 6.3792 6.7224 6.7224 7.2731 7.2731 7.3363 7.3363 7.9841 7.9841 8.4803 8.4803 9.1014 9.1014 9.3614 9.3614 9.3925 9.3925 9.5915 9.5915 9.7402 9.7402 10.2131 10.2131 10.3686 10.3686 k =-0.1607 0.0471-0.0000 ( 7003 PWs) bands (ev): -6.1375 -6.1375 -5.7570 -5.7570 2.0794 2.0794 2.7572 2.7572 3.2842 3.2842 3.4628 3.4628 4.0681 4.0681 4.4174 4.4174 4.7070 4.7070 5.0239 5.0239 6.2281 6.2281 6.3187 6.3187 6.7031 6.7031 7.2639 7.2639 7.3345 7.3345 7.9768 7.9768 8.4427 8.4427 9.1229 9.1229 9.3705 9.3705 9.4008 9.4008 9.6164 9.6164 9.7434 9.7434 10.1792 10.1792 10.3754 10.3754 k =-0.1786 0.0523-0.0000 ( 6991 PWs) bands (ev): -6.1358 -6.1358 -5.7557 -5.7557 2.0727 2.0727 2.7768 2.7768 3.3059 3.3059 3.4410 3.4410 4.0576 4.0576 4.4128 4.4128 4.7010 4.7010 5.0246 5.0246 6.2536 6.2536 6.2811 6.2811 6.6830 6.6830 7.2512 7.2512 7.3324 7.3324 7.9673 7.9673 8.4028 8.4028 9.1486 9.1486 9.3815 9.3815 9.4108 9.4108 9.6454 9.6454 9.7461 9.7461 10.1445 10.1445 10.3823 10.3823 k =-0.1964 0.0576 0.0000 ( 6999 PWs) bands (ev): -6.1341 -6.1341 -5.7543 -5.7543 2.0661 2.0661 2.7972 2.7972 3.3283 3.3283 3.4187 3.4187 4.0482 4.0482 4.4080 4.4080 4.6946 4.6946 5.0253 5.0253 6.1879 6.1879 6.3348 6.3348 6.6627 6.6627 7.2353 7.2353 7.3303 7.3303 7.9555 7.9555 8.3609 8.3609 9.1787 9.1787 9.3941 9.3941 9.4226 9.4226 9.6782 9.6782 9.7485 9.7485 10.1095 10.1095 10.3887 10.3887 k =-0.2143 0.0628 0.0000 ( 7007 PWs) bands (ev): -6.1323 -6.1323 -5.7528 -5.7528 2.0599 2.0599 2.8183 2.8183 3.3505 3.3505 3.3960 3.3960 4.0407 4.0407 4.4030 4.4030 4.6880 4.6880 5.0261 5.0261 6.1186 6.1186 6.3918 6.3918 6.6431 6.6431 7.2163 7.2163 7.3280 7.3280 7.9416 7.9416 8.3176 8.3176 9.2130 9.2130 9.4083 9.4083 9.4363 9.4363 9.7137 9.7137 9.7508 9.7508 10.0745 10.0745 10.3942 10.3942 k =-0.2321 0.0680 0.0000 ( 7004 PWs) bands (ev): -6.1304 -6.1304 -5.7513 -5.7513 2.0540 2.0540 2.8400 2.8400 3.3715 3.3715 3.3734 3.3734 4.0361 4.0361 4.3980 4.3980 4.6813 4.6813 5.0269 5.0269 6.0468 6.0468 6.4504 6.4504 6.6252 6.6252 7.1944 7.1944 7.3256 7.3256 7.9260 7.9260 8.2733 8.2733 9.2513 9.2513 9.4240 9.4240 9.4519 9.4519 9.7433 9.7433 9.7612 9.7612 10.0399 10.0399 10.3983 10.3983 k =-0.2500 0.0733 0.0000 ( 7012 PWs) bands (ev): -6.1285 -6.1285 -5.7498 -5.7498 2.0486 2.0486 2.8621 2.8621 3.3510 3.3510 3.3904 3.3904 4.0357 4.0357 4.3928 4.3928 4.6745 4.6745 5.0277 5.0277 5.9727 5.9727 6.5091 6.5091 6.6104 6.6104 7.1701 7.1701 7.3230 7.3230 7.9091 7.9091 8.2286 8.2286 9.2930 9.2930 9.4410 9.4410 9.4693 9.4693 9.7477 9.7477 9.7980 9.7980 10.0061 10.0061 10.4005 10.4005 k =-0.2679 0.0785-0.0000 ( 7010 PWs) bands (ev): -6.1267 -6.1267 -5.7483 -5.7483 2.0436 2.0436 2.8847 2.8847 3.3292 3.3292 3.4058 3.4058 4.0405 4.0405 4.3877 4.3877 4.6677 4.6677 5.0285 5.0285 5.8966 5.8966 6.5591 6.5591 6.6074 6.6074 7.1436 7.1436 7.3203 7.3203 7.8916 7.8916 8.1836 8.1836 9.3377 9.3377 9.4590 9.4590 9.4886 9.4886 9.7476 9.7476 9.8400 9.8400 9.9737 9.9737 10.4002 10.4002 k =-0.2857 0.0837 0.0000 ( 7006 PWs) bands (ev): -6.1248 -6.1248 -5.7468 -5.7468 2.0391 2.0391 2.9078 2.9078 3.3083 3.3083 3.4168 3.4168 4.0515 4.0515 4.3827 4.3827 4.6611 4.6611 5.0293 5.0293 5.8188 5.8188 6.5687 6.5687 6.6476 6.6476 7.1152 7.1152 7.3174 7.3174 7.8739 7.8739 8.1388 8.1388 9.3844 9.3844 9.4780 9.4780 9.5098 9.5098 9.7464 9.7464 9.8818 9.8818 9.9442 9.9442 10.3973 10.3973 k =-0.3036 0.0889-0.0000 ( 7002 PWs) bands (ev): -6.1230 -6.1230 -5.7454 -5.7454 2.0351 2.0351 2.9312 2.9312 3.2883 3.2883 3.4227 3.4227 4.0696 4.0696 4.3778 4.3778 4.6547 4.6547 5.0302 5.0302 5.7397 5.7397 6.5620 6.5620 6.7068 6.7068 7.0854 7.0854 7.3145 7.3145 7.8565 7.8565 8.0944 8.0944 9.4323 9.4323 9.4977 9.4977 9.5327 9.5327 9.7446 9.7446 9.9019 9.9019 9.9381 9.9381 10.3918 10.3918 k =-0.3214 0.0942 0.0000 ( 7000 PWs) bands (ev): -6.1212 -6.1212 -5.7440 -5.7440 2.0315 2.0315 2.9551 2.9551 3.2695 3.2695 3.4229 3.4229 4.0949 4.0949 4.3731 4.3731 4.6485 4.6485 5.0309 5.0309 5.6598 5.6598 6.5555 6.5555 6.7679 6.7679 7.0546 7.0546 7.3115 7.3115 7.8398 7.8398 8.0507 8.0507 9.4793 9.4793 9.5189 9.5189 9.5573 9.5573 9.7427 9.7427 9.8797 9.8797 9.9757 9.9757 10.3835 10.3835 k =-0.3393 0.0994-0.0000 ( 7000 PWs) bands (ev): -6.1196 -6.1196 -5.7427 -5.7427 2.0284 2.0284 2.9794 2.9794 3.2520 3.2520 3.4178 3.4178 4.1272 4.1272 4.3687 4.3687 4.6427 4.6427 5.0317 5.0317 5.5796 5.5796 6.5510 6.5510 6.8286 6.8286 7.0232 7.0232 7.3085 7.3085 7.8242 7.8242 8.0078 8.0078 9.5190 9.5190 9.5465 9.5465 9.5836 9.5836 9.7409 9.7409 9.8552 9.8552 10.0166 10.0166 10.3718 10.3718 k =-0.3571 0.1046-0.0000 ( 7000 PWs) bands (ev): -6.1180 -6.1180 -5.7414 -5.7414 2.0257 2.0257 3.0040 3.0040 3.2360 3.2360 3.4078 3.4078 4.1657 4.1657 4.3646 4.3646 4.6373 4.6373 5.0324 5.0324 5.4996 5.4996 6.5489 6.5489 6.8878 6.8878 6.9919 6.9919 7.3054 7.3054 7.8100 7.8100 7.9662 7.9662 9.5433 9.5433 9.5862 9.5862 9.6118 9.6118 9.7399 9.7399 9.8329 9.8329 10.0558 10.0558 10.3554 10.3554 k =-0.3750 0.1099 0.0000 ( 7008 PWs) bands (ev): -6.1166 -6.1166 -5.7403 -5.7403 2.0234 2.0234 3.0290 3.0290 3.2216 3.2216 3.3936 3.3936 4.2094 4.2094 4.3609 4.3609 4.6324 4.6324 5.0331 5.0331 5.4206 5.4206 6.5492 6.5492 6.9421 6.9421 6.9637 6.9637 7.3025 7.3025 7.7973 7.7973 7.9261 7.9261 9.5604 9.5604 9.6262 9.6262 9.6429 9.6429 9.7408 9.7408 9.8138 9.8138 10.0918 10.0918 10.3330 10.3330 k =-0.3929 0.1151 0.0000 ( 7000 PWs) bands (ev): -6.1154 -6.1154 -5.7393 -5.7393 2.0215 2.0215 3.0542 3.0542 3.2089 3.2089 3.3761 3.3761 4.2568 4.2568 4.3576 4.3576 4.6280 4.6280 5.0337 5.0337 5.3435 5.3435 6.5517 6.5517 6.9292 6.9292 7.0008 7.0008 7.2995 7.2995 7.7862 7.7862 7.8878 7.8878 9.5740 9.5740 9.6588 9.6588 9.6756 9.6756 9.7469 9.7469 9.7986 9.7986 10.1236 10.1236 10.3053 10.3053 k =-0.4107 0.1203 0.0000 ( 7000 PWs) bands (ev): -6.1143 -6.1143 -5.7384 -5.7384 2.0200 2.0200 3.0796 3.0796 3.1981 3.1981 3.3561 3.3561 4.3063 4.3063 4.3547 4.3547 4.6242 4.6242 5.0342 5.0342 5.2695 5.2695 6.5560 6.5560 6.9014 6.9014 7.0506 7.0506 7.2967 7.2967 7.7767 7.7767 7.8521 7.8521 9.5845 9.5845 9.6851 9.6851 9.7000 9.7000 9.7634 9.7634 9.7885 9.7885 10.1502 10.1502 10.2746 10.2746 k =-0.4286 0.1256 0.0000 ( 7016 PWs) bands (ev): -6.1133 -6.1133 -5.7377 -5.7377 2.0188 2.0188 3.1049 3.1049 3.1891 3.1891 3.3344 3.3344 4.3513 4.3513 4.3570 4.3570 4.6211 4.6211 5.0346 5.0346 5.2004 5.2004 6.5615 6.5615 6.8760 6.8760 7.0957 7.0957 7.2939 7.2939 7.7690 7.7690 7.8198 7.8198 9.5920 9.5920 9.7018 9.7018 9.7163 9.7163 9.7817 9.7817 9.7929 9.7929 10.1704 10.1704 10.2442 10.2442 k =-0.4464 0.1308-0.0000 ( 7022 PWs) bands (ev): -6.1126 -6.1126 -5.7371 -5.7371 2.0178 2.0178 3.1297 3.1297 3.1820 3.1820 3.3119 3.3119 4.3503 4.3503 4.4029 4.4029 4.6186 4.6186 5.0350 5.0350 5.1387 5.1387 6.5676 6.5676 6.8541 6.8541 7.1344 7.1344 7.2911 7.2911 7.7630 7.7630 7.7920 7.7920 9.5968 9.5968 9.7078 9.7078 9.7293 9.7293 9.7872 9.7872 9.8193 9.8193 10.1817 10.1817 10.2190 10.2190 k =-0.4643 0.1360-0.0000 ( 7018 PWs) bands (ev): -6.1121 -6.1121 -5.7367 -5.7367 2.0172 2.0172 3.1529 3.1529 3.1770 3.1770 3.2901 3.2901 4.3489 4.3489 4.4428 4.4428 4.6169 4.6169 5.0352 5.0352 5.0882 5.0882 6.5733 6.5733 6.8371 6.8371 7.1648 7.1648 7.2883 7.2883 7.7588 7.7588 7.7703 7.7703 9.5996 9.5996 9.7099 9.7099 9.7358 9.7358 9.7978 9.7978 9.8420 9.8420 10.1772 10.1772 10.2090 10.2090 k =-0.4821 0.1413-0.0000 ( 7014 PWs) bands (ev): -6.1118 -6.1118 -5.7364 -5.7364 2.0168 2.0168 3.1717 3.1717 3.1740 3.1740 3.2719 3.2719 4.3481 4.3481 4.4704 4.4704 4.6158 4.6158 5.0354 5.0354 5.0542 5.0542 6.5773 6.5773 6.8262 6.8262 7.1846 7.1846 7.2861 7.2861 7.7562 7.7562 7.7563 7.7563 9.6009 9.6009 9.7107 9.7107 9.7381 9.7381 9.8079 9.8079 9.8567 9.8567 10.1653 10.1653 10.2098 10.2098 k =-0.5000 0.1465 0.0000 ( 7016 PWs) bands (ev): -6.1117 -6.1117 -5.7363 -5.7363 2.0167 2.0167 3.1728 3.1728 3.1801 3.1801 3.2639 3.2639 4.3478 4.3478 4.4805 4.4805 4.6155 4.6155 5.0354 5.0354 5.0420 5.0420 6.5787 6.5787 6.8224 6.8224 7.1916 7.1916 7.2852 7.2852 7.7515 7.7515 7.7553 7.7553 9.6012 9.6012 9.7109 9.7109 9.7387 9.7387 9.8119 9.8119 9.8618 9.8618 10.1603 10.1603 10.2106 10.2106 k =-0.5000 0.1465 0.0000 ( 7016 PWs) bands (ev): -6.1117 -6.1117 -5.7363 -5.7363 2.0167 2.0167 3.1728 3.1728 3.1801 3.1801 3.2639 3.2639 4.3478 4.3478 4.4805 4.4805 4.6155 4.6155 5.0354 5.0354 5.0420 5.0420 6.5787 6.5787 6.8224 6.8224 7.1916 7.1916 7.2852 7.2852 7.7515 7.7515 7.7553 7.7553 9.6012 9.6012 9.7109 9.7109 9.7387 9.7387 9.8119 9.8119 9.8618 9.8618 10.1603 10.1603 10.2106 10.2106 k =-0.4947 0.1646-0.0000 ( 7022 PWs) bands (ev): -6.1115 -6.1115 -5.7362 -5.7362 2.0183 2.0183 3.1746 3.1746 3.1810 3.1810 3.2644 3.2644 4.3467 4.3467 4.4810 4.4810 4.6134 4.6134 5.0356 5.0356 5.0457 5.0457 6.5802 6.5802 6.8236 6.8236 7.1906 7.1906 7.2858 7.2858 7.7522 7.7522 7.7545 7.7545 9.6003 9.6003 9.6752 9.6752 9.7614 9.7614 9.8149 9.8149 9.8639 9.8639 10.1286 10.1286 10.2322 10.2322 k =-0.4894 0.1828-0.0000 ( 7022 PWs) bands (ev): -6.1109 -6.1109 -5.7356 -5.7356 2.0234 2.0234 3.1794 3.1794 3.1842 3.1842 3.2660 3.2660 4.3434 4.3434 4.4827 4.4827 4.6072 4.6072 5.0362 5.0362 5.0562 5.0562 6.5846 6.5846 6.8272 6.8272 7.1875 7.1875 7.2874 7.2874 7.7519 7.7519 7.7544 7.7544 9.5926 9.5926 9.6282 9.6282 9.7667 9.7667 9.8307 9.8307 9.8712 9.8712 10.0759 10.0759 10.2409 10.2409 k =-0.4841 0.2009-0.0000 ( 7022 PWs) bands (ev): -6.1099 -6.1099 -5.7348 -5.7348 2.0317 2.0317 3.1855 3.1855 3.1914 3.1914 3.2686 3.2686 4.3378 4.3378 4.4856 4.4856 4.5976 4.5976 5.0372 5.0372 5.0731 5.0731 6.5918 6.5918 6.8332 6.8332 7.1824 7.1824 7.2901 7.2901 7.7475 7.7475 7.7579 7.7579 9.5494 9.5494 9.6105 9.6105 9.7503 9.7503 9.8487 9.8487 9.8866 9.8866 10.0182 10.0182 10.2022 10.2022 k =-0.4787 0.2191-0.0000 ( 7018 PWs) bands (ev): -6.1086 -6.1086 -5.7336 -5.7336 2.0434 2.0434 3.1917 3.1917 3.2036 3.2036 3.2722 3.2722 4.3302 4.3302 4.4895 4.4895 4.5855 4.5855 5.0386 5.0386 5.0953 5.0953 6.6019 6.6019 6.8414 6.8414 7.1754 7.1754 7.2938 7.2938 7.7416 7.7416 7.7629 7.7629 9.4861 9.4861 9.6081 9.6081 9.7228 9.7228 9.8601 9.8601 9.9037 9.9037 9.9612 9.9612 10.1372 10.1372 k =-0.4734 0.2372-0.0000 ( 7010 PWs) bands (ev): -6.1069 -6.1069 -5.7320 -5.7320 2.0583 2.0583 3.1991 3.1991 3.2199 3.2199 3.2767 3.2767 4.3205 4.3205 4.4945 4.4945 4.5718 4.5718 5.0405 5.0405 5.1221 5.1221 6.6148 6.6148 6.8517 6.8517 7.1663 7.1663 7.2982 7.2982 7.7342 7.7342 7.7692 7.7692 9.4171 9.4171 9.6074 9.6074 9.6876 9.6876 9.8662 9.8662 9.8809 9.8809 9.9426 9.9426 10.0631 10.0631 k =-0.4681 0.2553-0.0000 ( 7004 PWs) bands (ev): -6.1048 -6.1048 -5.7302 -5.7302 2.0765 2.0765 3.2078 3.2078 3.2398 3.2398 3.2821 3.2821 4.3088 4.3088 4.5006 4.5006 4.5571 4.5571 5.0427 5.0427 5.1528 5.1528 6.6304 6.6304 6.8641 6.8641 7.1553 7.1553 7.3034 7.3034 7.7253 7.7253 7.7768 7.7768 9.3446 9.3446 9.6062 9.6062 9.6465 9.6465 9.8143 9.8143 9.8747 9.8747 9.9530 9.9530 9.9895 9.9895 k =-0.4628 0.2735-0.0000 ( 7008 PWs) bands (ev): -6.1025 -6.1025 -5.7280 -5.7280 2.0979 2.0979 3.2180 3.2180 3.2632 3.2632 3.2884 3.2884 4.2953 4.2953 4.5077 4.5077 4.5423 4.5423 5.0454 5.0454 5.1866 5.1866 6.6486 6.6486 6.8783 6.8783 7.1424 7.1424 7.3090 7.3090 7.7152 7.7152 7.7855 7.7855 9.2694 9.2694 9.5941 9.5941 9.6104 9.6104 9.7462 9.7462 9.8647 9.8647 9.9137 9.9137 9.9762 9.9762 k =-0.4575 0.2916-0.0000 ( 7012 PWs) bands (ev): -6.0997 -6.0997 -5.7256 -5.7256 2.1225 2.1225 3.2296 3.2296 3.2900 3.2900 3.2953 3.2953 4.2802 4.2802 4.5154 4.5154 4.5283 4.5283 5.0484 5.0484 5.2230 5.2230 6.6693 6.6693 6.8940 6.8940 7.1276 7.1276 7.3149 7.3149 7.7041 7.7041 7.7954 7.7954 9.1920 9.1920 9.5458 9.5458 9.6047 9.6047 9.6765 9.6765 9.8008 9.8008 9.8974 9.8974 9.9869 9.9869 k =-0.4522 0.3098-0.0000 ( 7024 PWs) bands (ev): -6.0967 -6.0967 -5.7229 -5.7229 2.1502 2.1502 3.2426 3.2426 3.3028 3.3028 3.3200 3.3200 4.2635 4.2635 4.5126 4.5126 4.5263 4.5263 5.0518 5.0518 5.2617 5.2617 6.6924 6.6924 6.9111 6.9111 7.1112 7.1112 7.3209 7.3209 7.6920 7.6920 7.8063 7.8063 9.1130 9.1130 9.4911 9.4911 9.5912 9.5912 9.6151 9.6151 9.7181 9.7181 9.8936 9.8936 9.9962 9.9962 k =-0.4469 0.3279-0.0000 ( 7012 PWs) bands (ev): -6.0934 -6.0934 -5.7199 -5.7199 2.1810 2.1810 3.2568 3.2568 3.3108 3.3108 3.3531 3.3531 4.2454 4.2454 4.5002 4.5002 4.5359 4.5359 5.0555 5.0555 5.3023 5.3023 6.7177 6.7177 6.9292 6.9292 7.0931 7.0931 7.3267 7.3267 7.6793 7.6793 7.8181 7.8181 9.0328 9.0328 9.4332 9.4332 9.5281 9.5281 9.6007 9.6007 9.6331 9.6331 9.8859 9.8859 10.0039 10.0039 k =-0.4415 0.3460-0.0000 ( 7012 PWs) bands (ev): -6.0898 -6.0898 -5.7166 -5.7166 2.2147 2.2147 3.2722 3.2722 3.3193 3.3193 3.3892 3.3892 4.2262 4.2262 4.4886 4.4886 4.5468 4.5468 5.0596 5.0596 5.3446 5.3446 6.7450 6.7450 6.9479 6.9479 7.0736 7.0736 7.3321 7.3321 7.6662 7.6662 7.8307 7.8307 8.9517 8.9517 9.3728 9.3728 9.4563 9.4563 9.5441 9.5441 9.5961 9.5961 9.8711 9.8711 10.0107 10.0107 k =-0.4362 0.3642-0.0000 ( 7010 PWs) bands (ev): -6.0860 -6.0860 -5.7132 -5.7132 2.2514 2.2514 3.2889 3.2889 3.3280 3.3280 3.4281 3.4281 4.2058 4.2058 4.4783 4.4783 4.5586 4.5586 5.0640 5.0640 5.3885 5.3885 6.7740 6.7740 6.9668 6.9668 7.0530 7.0530 7.3370 7.3370 7.6529 7.6529 7.8438 7.8438 8.8701 8.8701 9.3105 9.3105 9.3842 9.3842 9.4572 9.4572 9.5877 9.5877 9.8481 9.8481 10.0172 10.0172 k =-0.4309 0.3823-0.0000 ( 7002 PWs) bands (ev): -6.0819 -6.0819 -5.7095 -5.7095 2.2909 2.2909 3.3065 3.3065 3.3369 3.3369 3.4695 3.4695 4.1845 4.1845 4.4696 4.4696 4.5712 4.5712 5.0687 5.0687 5.4337 5.4337 6.8045 6.8045 6.9854 6.9854 7.0315 7.0315 7.3411 7.3411 7.6396 7.6396 7.8574 7.8574 8.7883 8.7883 9.2468 9.2468 9.3126 9.3126 9.3700 9.3700 9.5776 9.5776 9.8168 9.8168 10.0239 10.0239 k =-0.4256 0.4004-0.0000 ( 6996 PWs) bands (ev): -6.0777 -6.0777 -5.7057 -5.7057 2.3332 2.3332 3.3253 3.3253 3.3459 3.3459 3.5133 3.5133 4.1625 4.1625 4.4624 4.4624 4.5844 4.5844 5.0738 5.0738 5.4802 5.4802 6.8359 6.8359 7.0010 7.0010 7.0117 7.0117 7.3443 7.3443 7.6267 7.6267 7.8711 7.8711 8.7067 8.7067 9.1821 9.1821 9.2418 9.2418 9.2830 9.2830 9.5655 9.5655 9.7782 9.7782 10.0315 10.0315 k =-0.4203 0.4186-0.0000 ( 6992 PWs) bands (ev): -6.0732 -6.0732 -5.7017 -5.7017 2.3782 2.3782 3.3449 3.3449 3.3549 3.3549 3.5593 3.5593 4.1398 4.1398 4.4569 4.4569 4.5982 4.5982 5.0790 5.0790 5.5279 5.5279 6.8673 6.8673 6.9861 6.9861 7.0215 7.0215 7.3466 7.3466 7.6145 7.6145 7.8847 7.8847 8.6255 8.6255 9.1168 9.1168 9.1724 9.1724 9.1965 9.1965 9.5513 9.5513 9.7338 9.7338 10.0403 10.0403 k =-0.4150 0.4367-0.0000 ( 7003 PWs) bands (ev): -6.0687 -6.0687 -5.6976 -5.6976 2.4257 2.4257 3.3629 3.3629 3.3661 3.3661 3.6071 3.6071 4.1167 4.1167 4.4531 4.4531 4.6125 4.6125 5.0846 5.0846 5.5766 5.5766 6.8962 6.8962 6.9673 6.9673 7.0363 7.0363 7.3477 7.3477 7.6033 7.6033 7.8979 7.8979 8.5448 8.5448 9.0512 9.0512 9.1046 9.1046 9.1108 9.1108 9.5352 9.5352 9.6852 9.6852 10.0506 10.0506 k =-0.4096 0.4549-0.0000 ( 7003 PWs) bands (ev): -6.0640 -6.0640 -5.6934 -5.6934 2.4757 2.4757 3.3718 3.3718 3.3871 3.3871 3.6566 3.6566 4.0932 4.0932 4.4509 4.4509 4.6271 4.6271 5.0904 5.0904 5.6265 5.6265 6.9111 6.9111 6.9622 6.9622 7.0491 7.0491 7.3478 7.3478 7.5935 7.5935 7.9104 7.9104 8.4651 8.4651 8.9856 8.9856 9.0260 9.0260 9.0390 9.0390 9.5170 9.5170 9.6343 9.6343 10.0626 10.0626 k =-0.4043 0.4730-0.0000 ( 7003 PWs) bands (ev): -6.0592 -6.0592 -5.6891 -5.6891 2.5281 2.5281 3.3800 3.3800 3.4092 3.4092 3.7073 3.7073 4.0695 4.0695 4.4503 4.4503 4.6419 4.6419 5.0964 5.0964 5.6773 5.6773 6.9004 6.9004 6.9824 6.9824 7.0589 7.0589 7.3468 7.3468 7.5854 7.5854 7.9217 7.9217 8.3864 8.3864 8.9199 8.9199 8.9428 8.9428 8.9756 8.9756 9.4962 9.4962 9.5835 9.5835 10.0767 10.0767 k =-0.3990 0.4911-0.0000 ( 7009 PWs) bands (ev): -6.0543 -6.0543 -5.6847 -5.6847 2.5827 2.5827 3.3877 3.3877 3.4320 3.4320 3.7589 3.7589 4.0458 4.0458 4.4512 4.4512 4.6569 4.6569 5.1025 5.1025 5.7291 5.7291 6.8810 6.8810 7.0106 7.0106 7.0654 7.0654 7.3448 7.3448 7.5796 7.5796 7.9315 7.9315 8.3090 8.3090 8.8514 8.8514 8.8641 8.8641 8.9150 8.9150 9.4698 9.4698 9.5371 9.5371 10.0927 10.0927 k =-0.3937 0.5093-0.0000 ( 7013 PWs) bands (ev): -6.0494 -6.0494 -5.6803 -5.6803 2.6394 2.6394 3.3948 3.3948 3.4556 3.4556 3.8111 3.8111 4.0221 4.0221 4.4535 4.4535 4.6719 4.6719 5.1089 5.1089 5.7819 5.7819 6.8606 6.8606 7.0387 7.0387 7.0681 7.0681 7.3420 7.3420 7.5765 7.5765 7.9394 7.9394 8.2331 8.2331 8.7742 8.7742 8.7965 8.7965 8.8576 8.8576 9.4326 9.4326 9.5019 9.5019 10.1107 10.1107 k =-0.3884 0.5274-0.0000 ( 7009 PWs) bands (ev): -6.0444 -6.0444 -5.6759 -5.6759 2.6980 2.6980 3.4015 3.4015 3.4797 3.4797 3.8630 3.8630 3.9989 3.9989 4.4570 4.4570 4.6867 4.6867 5.1154 5.1154 5.8356 5.8356 6.8412 6.8412 7.0607 7.0607 7.0701 7.0701 7.3384 7.3384 7.5766 7.5766 7.9451 7.9451 8.1588 8.1588 8.6948 8.6948 8.7336 8.7336 8.8038 8.8038 9.3852 9.3852 9.4782 9.4782 10.1305 10.1305 k =-0.3831 0.5456-0.0000 ( 7011 PWs) bands (ev): -6.0395 -6.0395 -5.6714 -5.6714 2.7585 2.7585 3.4077 3.4077 3.5044 3.5044 3.9129 3.9129 3.9779 3.9779 4.4616 4.4616 4.7013 4.7013 5.1220 5.1220 5.8903 5.8903 6.8234 6.8234 7.0577 7.0577 7.0886 7.0886 7.3342 7.3342 7.5805 7.5805 7.9484 7.9484 8.0863 8.0863 8.6165 8.6165 8.6728 8.6728 8.7539 8.7539 9.3334 9.3334 9.4611 9.4611 10.1518 10.1518 k =-0.3778 0.5637-0.0000 ( 7011 PWs) bands (ev): -6.0345 -6.0345 -5.6670 -5.6670 2.8205 2.8205 3.4133 3.4133 3.5297 3.5297 3.9389 3.9389 3.9803 3.9803 4.4671 4.4671 4.7155 4.7155 5.1287 5.1287 5.9458 5.9458 6.8079 6.8079 7.0461 7.0461 7.1057 7.1057 7.3295 7.3295 7.5886 7.5886 7.9489 7.9489 8.0157 8.0157 8.5397 8.5397 8.6138 8.6138 8.7085 8.7085 9.2807 9.2807 9.4475 9.4475 10.1744 10.1744 k =-0.3724 0.5818-0.0000 ( 7005 PWs) bands (ev): -6.0296 -6.0296 -5.6626 -5.6626 2.8839 2.8839 3.4185 3.4185 3.5553 3.5553 3.9222 3.9222 4.0248 4.0248 4.4733 4.4733 4.7293 4.7293 5.1355 5.1355 6.0021 6.0021 6.7953 6.7953 7.0292 7.0292 7.1174 7.1174 7.3247 7.3247 7.6008 7.6008 7.9451 7.9451 7.9488 7.9488 8.4648 8.4648 8.5569 8.5569 8.6680 8.6680 9.2285 9.2285 9.4364 9.4364 10.1975 10.1975 k =-0.3671 0.6000-0.0000 ( 7019 PWs) bands (ev): -6.0248 -6.0248 -5.6583 -5.6583 2.9483 2.9483 3.4235 3.4235 3.5814 3.5814 3.9002 3.9002 4.0734 4.0734 4.4800 4.4800 4.7424 4.7424 5.1423 5.1423 6.0593 6.0593 6.7860 6.7860 7.0072 7.0072 7.1227 7.1227 7.3198 7.3198 7.6172 7.6172 7.8807 7.8807 7.9420 7.9420 8.3920 8.3920 8.5020 8.5020 8.6329 8.6329 9.1776 9.1776 9.4271 9.4271 10.2206 10.2206 k =-0.3618 0.6181-0.0000 ( 7013 PWs) bands (ev): -6.0201 -6.0201 -5.6540 -5.6540 3.0134 3.0134 3.4285 3.4285 3.6078 3.6078 3.8777 3.8777 4.1211 4.1211 4.4869 4.4869 4.7549 4.7549 5.1491 5.1491 6.1172 6.1172 6.7804 6.7804 6.9802 6.9802 7.1214 7.1214 7.3150 7.3150 7.6372 7.6372 7.8168 7.8168 7.9344 7.9344 8.3215 8.3215 8.4494 8.4494 8.6037 8.6037 9.1283 9.1283 9.4191 9.4191 10.2428 10.2428 k =-0.3565 0.6363-0.0000 ( 7017 PWs) bands (ev): -6.0154 -6.0154 -5.6498 -5.6498 3.0784 3.0784 3.4340 3.4340 3.6343 3.6343 3.8554 3.8554 4.1669 4.1669 4.4939 4.4939 4.7666 4.7666 5.1558 5.1558 6.1758 6.1758 6.7789 6.7789 6.9487 6.9487 7.1134 7.1134 7.3105 7.3105 7.6601 7.6601 7.7553 7.7553 7.9242 7.9242 8.2535 8.2535 8.3993 8.3993 8.5809 8.5809 9.0808 9.0808 9.4118 9.4118 10.2631 10.2631 k =-0.3512 0.6544-0.0000 ( 7013 PWs) bands (ev): -6.0109 -6.0109 -5.6458 -5.6458 3.1424 3.1424 3.4410 3.4410 3.6609 3.6609 3.8333 3.8333 4.2102 4.2102 4.5007 4.5007 4.7775 4.7775 5.1623 5.1623 6.2349 6.2349 6.7818 6.7818 6.9133 6.9133 7.0987 7.0987 7.3066 7.3066 7.6843 7.6843 7.6972 7.6972 7.9119 7.9119 8.1882 8.1882 8.3517 8.3517 8.5649 8.5649 9.0355 9.0355 9.4048 9.4048 10.2800 10.2800 k =-0.3459 0.6725-0.0000 ( 7013 PWs) bands (ev): -6.0065 -6.0065 -5.6418 -5.6418 3.2033 3.2033 3.4513 3.4513 3.6874 3.6874 3.8116 3.8116 4.2508 4.2508 4.5071 4.5071 4.7876 4.7876 5.1687 5.1687 6.2945 6.2945 6.7893 6.7893 6.8747 6.8747 7.0774 7.0774 7.3033 7.3033 7.6397 7.6397 7.7118 7.7118 7.8975 7.8975 8.1258 8.1258 8.3067 8.3067 8.5557 8.5557 8.9923 8.9923 9.3976 9.3976 10.2923 10.2923 k =-0.3406 0.6907-0.0000 ( 7013 PWs) bands (ev): -6.0022 -6.0022 -5.6380 -5.6380 3.2579 3.2579 3.4681 3.4681 3.7132 3.7132 3.7908 3.7908 4.2883 4.2883 4.5128 4.5128 4.7969 4.7969 5.1749 5.1749 6.3544 6.3544 6.8003 6.8003 6.8349 6.8349 7.0497 7.0497 7.3009 7.3009 7.5862 7.5862 7.7389 7.7389 7.8815 7.8815 8.0665 8.0665 8.2646 8.2646 8.5536 8.5536 8.9513 8.9514 9.3895 9.3895 10.2983 10.2983 k =-0.3352 0.7088-0.0000 ( 7019 PWs) bands (ev): -5.9981 -5.9981 -5.6343 -5.6343 3.3011 3.3011 3.4962 3.4962 3.7365 3.7365 3.7724 3.7724 4.3225 4.3225 4.5178 4.5178 4.8053 4.8053 5.1809 5.1809 6.4143 6.4143 6.7858 6.7858 6.8239 6.8239 7.0159 7.0159 7.2995 7.2995 7.5356 7.5356 7.7664 7.7664 7.8641 7.8641 8.0103 8.0103 8.2255 8.2255 8.5584 8.5584 8.9128 8.9128 9.3804 9.3804 10.2968 10.2968 k =-0.3299 0.7269-0.0000 ( 7013 PWs) bands (ev): -5.9942 -5.9942 -5.6307 -5.6307 3.3296 3.3296 3.5388 3.5388 3.7407 3.7407 3.7728 3.7728 4.3531 4.3531 4.5218 4.5218 4.8129 4.8129 5.1865 5.1865 6.4737 6.4737 6.7435 6.7435 6.8454 6.8454 6.9763 6.9763 7.2992 7.2992 7.4878 7.4878 7.7938 7.7938 7.8458 7.8458 7.9573 7.9573 8.1895 8.1895 8.5697 8.5697 8.8767 8.8767 9.3699 9.3699 10.2866 10.2866 k =-0.3246 0.7451-0.0000 ( 7023 PWs) bands (ev): -5.9904 -5.9904 -5.6273 -5.6273 3.3453 3.3453 3.5939 3.5939 3.7238 3.7238 3.7939 3.7939 4.3803 4.3803 4.5248 4.5248 4.8198 4.8198 5.1917 5.1917 6.5312 6.5312 6.7011 6.7011 6.8733 6.8733 6.9313 6.9313 7.3002 7.3002 7.4431 7.4431 7.8196 7.8196 7.8283 7.8283 7.9076 7.9076 8.1569 8.1569 8.5869 8.5869 8.8430 8.8430 9.3579 9.3579 10.2674 10.2674 k =-0.3193 0.7632-0.0000 ( 7023 PWs) bands (ev): -5.9869 -5.9869 -5.6241 -5.6241 3.3527 3.3527 3.6565 3.6565 3.7048 3.7048 3.8163 3.8163 4.4039 4.4039 4.5268 4.5268 4.8260 4.8260 5.1966 5.1966 6.5800 6.5800 6.6671 6.6671 6.8814 6.8814 6.9064 6.9064 7.3025 7.3025 7.4015 7.4015 7.8063 7.8063 7.8484 7.8484 7.8621 7.8621 8.1277 8.1277 8.6093 8.6093 8.8119 8.8119 9.3443 9.3443 10.2395 10.2395 k =-0.3140 0.7814-0.0000 ( 7023 PWs) bands (ev): -5.9835 -5.9835 -5.6210 -5.6210 3.3552 3.3552 3.6841 3.6841 3.7249 3.7249 3.8376 3.8376 4.4240 4.4240 4.5278 4.5278 4.8316 4.8316 5.2010 5.2010 6.5850 6.5850 6.6773 6.6773 6.8274 6.8274 6.9442 6.9442 7.3064 7.3064 7.3631 7.3631 7.7865 7.7865 7.8170 7.8170 7.8774 7.8774 8.1023 8.1023 8.6361 8.6361 8.7835 8.7835 9.3293 9.3293 10.2034 10.2034 k =-0.3087 0.7995-0.0000 ( 7013 PWs) bands (ev): -5.9803 -5.9803 -5.6181 -5.6181 3.3548 3.3548 3.6654 3.6654 3.7929 3.7929 3.8574 3.8574 4.4407 4.4407 4.5281 4.5281 4.8367 4.8367 5.2051 5.2051 6.5523 6.5523 6.7248 6.7248 6.7710 6.7710 6.9863 6.9863 7.3118 7.3118 7.3279 7.3279 7.7664 7.7664 7.7768 7.7768 7.9049 7.9049 8.0808 8.0808 8.6663 8.6663 8.7580 8.7580 9.3130 9.3130 10.1604 10.1604 k =-0.3034 0.8176-0.0000 ( 7017 PWs) bands (ev): -5.9774 -5.9774 -5.6154 -5.6154 3.3524 3.3524 3.6466 3.6466 3.8550 3.8550 3.8814 3.8814 4.4542 4.4542 4.5278 4.5278 4.8414 4.8414 5.2087 5.2087 6.5152 6.5152 6.7065 6.7065 6.7830 6.7830 7.0323 7.0323 7.2960 7.2960 7.3189 7.3189 7.7379 7.7379 7.7478 7.7478 7.9325 7.9325 8.0636 8.0636 8.6978 8.6978 8.7367 8.7367 9.2956 9.2956 10.1116 10.1116 k =-0.2980 0.8358-0.0000 ( 7015 PWs) bands (ev): -5.9746 -5.9746 -5.6129 -5.6129 3.3488 3.3488 3.6282 3.6282 3.8791 3.8791 3.9398 3.9398 4.4649 4.4649 4.5274 4.5274 4.8457 4.8457 5.2118 5.2118 6.4798 6.4798 6.6440 6.6440 6.8370 6.8370 7.0816 7.0816 7.2676 7.2676 7.3277 7.3277 7.7031 7.7031 7.7282 7.7282 7.9600 7.9600 8.0509 8.0509 8.7078 8.7078 8.7419 8.7419 9.2775 9.2775 10.0580 10.0580 k =-0.2927 0.8539-0.0000 ( 7019 PWs) bands (ev): -5.9721 -5.9721 -5.6106 -5.6106 3.3442 3.3442 3.6103 3.6103 3.8879 3.8879 4.0084 4.0084 4.4730 4.4730 4.5270 4.5270 4.8497 4.8497 5.2146 5.2146 6.4476 6.4476 6.5792 6.5792 6.8900 6.8900 7.1335 7.1335 7.2429 7.2429 7.3384 7.3384 7.6705 7.6705 7.7093 7.7093 7.9873 7.9873 8.0432 8.0432 8.6925 8.6925 8.7767 8.7767 9.2589 9.2589 10.0007 10.0007 k =-0.2874 0.8721-0.0000 ( 7013 PWs) bands (ev): -5.9698 -5.9698 -5.6085 -5.6085 3.3390 3.3390 3.5928 3.5928 3.8906 3.8906 4.0768 4.0768 4.4792 4.4792 4.5269 4.5269 4.8537 4.8537 5.2170 5.2170 6.4195 6.4195 6.5135 6.5135 6.9409 6.9409 7.1850 7.1850 7.2242 7.2242 7.3508 7.3508 7.6404 7.6404 7.6911 7.6911 8.0136 8.0136 8.0413 8.0413 8.6776 8.6776 8.8148 8.8148 9.2401 9.2401 9.9405 9.9405 k =-0.2821 0.8902-0.0000 ( 7011 PWs) bands (ev): -5.9678 -5.9678 -5.6066 -5.6066 3.3332 3.3332 3.5758 3.5758 3.8871 3.8871 4.1438 4.1438 4.4841 4.4841 4.5272 4.5272 4.8575 4.8575 5.2189 5.2189 6.3958 6.3958 6.4477 6.4477 6.9892 6.9892 7.1977 7.1977 7.2496 7.2496 7.3651 7.3651 7.6125 7.6125 7.6736 7.6736 8.0345 8.0345 8.0494 8.0494 8.6651 8.6651 8.8539 8.8539 9.2215 9.2215 9.8782 9.8782 k =-0.2768 0.9083-0.0000 ( 7015 PWs) bands (ev): -5.9660 -5.9660 -5.6049 -5.6049 3.3270 3.3270 3.5594 3.5594 3.8772 3.8772 4.2085 4.2085 4.4881 4.4881 4.5279 4.5279 4.8613 4.8613 5.2206 5.2206 6.3742 6.3742 6.3854 6.3854 7.0345 7.0345 7.1846 7.1846 7.3052 7.3052 7.3813 7.3813 7.5870 7.5870 7.6568 7.6568 8.0462 8.0462 8.0713 8.0713 8.6550 8.6550 8.8934 8.8934 9.2034 9.2034 9.8143 9.8143 k =-0.2715 0.9265-0.0000 ( 7007 PWs) bands (ev): -5.9645 -5.9645 -5.6034 -5.6034 3.3205 3.3205 3.5436 3.5436 3.8608 3.8608 4.2703 4.2703 4.4915 4.4915 4.5294 4.5294 4.8650 4.8650 5.2219 5.2219 6.3174 6.3174 6.3652 6.3652 7.0763 7.0763 7.1735 7.1735 7.3627 7.3627 7.3994 7.3994 7.5636 7.5636 7.6409 7.6409 8.0596 8.0596 8.0956 8.0956 8.6476 8.6476 8.9330 8.9330 9.1862 9.1862 9.7495 9.7495 k =-0.2715 0.9265-0.0000 ( 7007 PWs) bands (ev): -5.9645 -5.9645 -5.6034 -5.6034 3.3205 3.3205 3.5436 3.5436 3.8608 3.8608 4.2703 4.2703 4.4915 4.4915 4.5294 4.5294 4.8650 4.8650 5.2219 5.2219 6.3174 6.3174 6.3652 6.3652 7.0763 7.0763 7.1735 7.1735 7.3627 7.3627 7.3994 7.3994 7.5636 7.5636 7.6409 7.6409 8.0596 8.0596 8.0956 8.0956 8.6476 8.6476 8.9330 8.9330 9.1862 9.1862 9.7495 9.7495 k =-0.2715 0.9265 0.0185 ( 7011 PWs) bands (ev): -5.9638 -5.9638 -5.6041 -5.6041 3.3232 3.3232 3.5441 3.5441 3.8600 3.8600 4.2713 4.2713 4.4916 4.4916 4.5290 4.5290 4.8644 4.8644 5.2178 5.2178 6.3169 6.3169 6.3650 6.3650 7.0757 7.0757 7.1753 7.1753 7.3629 7.3629 7.3958 7.3958 7.5658 7.5658 7.6426 7.6426 8.0616 8.0616 8.0940 8.0940 8.6441 8.6441 8.9228 8.9228 9.1994 9.1994 9.7550 9.7550 k =-0.2715 0.9265 0.0371 ( 7006 PWs) bands (ev): -5.9619 -5.9619 -5.6064 -5.6064 3.3311 3.3311 3.5455 3.5455 3.8575 3.8575 4.2741 4.2741 4.4918 4.4918 4.5281 4.5281 4.8626 4.8626 5.2058 5.2058 6.3154 6.3154 6.3643 6.3643 7.0739 7.0739 7.1806 7.1806 7.3631 7.3631 7.3865 7.3865 7.5703 7.5703 7.6485 7.6485 8.0670 8.0670 8.0896 8.0896 8.6339 8.6339 8.8972 8.8972 9.2339 9.2339 9.7713 9.7713 k =-0.2715 0.9265 0.0556 ( 7008 PWs) bands (ev): -5.9588 -5.9588 -5.6101 -5.6101 3.3444 3.3444 3.5478 3.5478 3.8535 3.8535 4.2789 4.2789 4.4919 4.4919 4.5269 4.5269 4.8596 4.8596 5.1862 5.1862 6.3130 6.3130 6.3631 6.3631 7.0711 7.0711 7.1892 7.1892 7.3614 7.3614 7.3758 7.3758 7.5733 7.5733 7.6603 7.6603 8.0719 8.0719 8.0857 8.0857 8.6179 8.6179 8.8644 8.8644 9.2814 9.2814 9.7975 9.7975 k =-0.2715 0.9265 0.0741 ( 7002 PWs) bands (ev): -5.9544 -5.9544 -5.6152 -5.6152 3.3628 3.3628 3.5512 3.5512 3.8480 3.8480 4.2856 4.2856 4.4911 4.4911 4.5257 4.5257 4.8555 4.8555 5.1596 5.1596 6.3098 6.3098 6.3612 6.3612 7.0676 7.0676 7.2011 7.2011 7.3507 7.3507 7.3729 7.3729 7.5724 7.5724 7.6784 7.6784 8.0644 8.0644 8.0935 8.0935 8.5975 8.5975 8.8299 8.8299 9.3366 9.3366 9.8324 9.8324 k =-0.2715 0.9265 0.0926 ( 6998 PWs) bands (ev): -5.9488 -5.9488 -5.6217 -5.6217 3.3861 3.3861 3.5556 3.5556 3.8409 3.8409 4.2940 4.2940 4.4884 4.4884 4.5255 4.5255 4.8503 4.8503 5.1268 5.1268 6.3058 6.3058 6.3586 6.3586 7.0636 7.0636 7.2160 7.2160 7.3346 7.3346 7.3757 7.3757 7.5675 7.5675 7.7012 7.7012 8.0495 8.0495 8.1072 8.1072 8.5741 8.5741 8.7963 8.7963 9.3965 9.3965 9.8746 9.8746 k =-0.2715 0.9265 0.1112 ( 7011 PWs) bands (ev): -5.9420 -5.9420 -5.6295 -5.6295 3.4142 3.4142 3.5612 3.5612 3.8326 3.8326 4.3040 4.3040 4.4830 4.4830 4.5267 4.5267 4.8440 4.8440 5.0886 5.0886 6.3014 6.3014 6.3551 6.3551 7.0596 7.0596 7.2339 7.2339 7.3175 7.3175 7.3804 7.3804 7.5598 7.5598 7.7268 7.7268 8.0307 8.0307 8.1221 8.1221 8.5496 8.5496 8.7650 8.7650 9.4598 9.4598 9.9227 9.9227 k =-0.2715 0.9265 0.1297 ( 7007 PWs) bands (ev): -5.9341 -5.9341 -5.6386 -5.6386 3.4466 3.4466 3.5681 3.5681 3.8230 3.8230 4.3156 4.3156 4.4741 4.4741 4.5294 4.5294 4.8367 4.8367 5.0463 5.0463 6.2967 6.2967 6.3507 6.3507 7.0559 7.0559 7.2544 7.2544 7.3006 7.3006 7.3864 7.3864 7.5501 7.5501 7.7538 7.7538 8.0087 8.0087 8.1365 8.1365 8.5257 8.5257 8.7364 8.7364 9.5255 9.5255 9.9752 9.9752 k =-0.2715 0.9265 0.1482 ( 7010 PWs) bands (ev): -5.9251 -5.9251 -5.6488 -5.6488 3.4826 3.4826 3.5770 3.5770 3.8123 3.8123 4.3287 4.3287 4.4616 4.4616 4.5332 4.5332 4.8284 4.8284 5.0011 5.0011 6.2918 6.2918 6.3454 6.3454 7.0531 7.0531 7.2751 7.2751 7.2864 7.2864 7.3932 7.3932 7.5392 7.5392 7.7810 7.7810 7.9840 7.9840 8.1488 8.1488 8.5042 8.5042 8.7107 8.7107 9.5930 9.5930 10.0307 10.0307 k =-0.2715 0.9265 0.1667 ( 7011 PWs) bands (ev): -5.9151 -5.9151 -5.6601 -5.6601 3.5202 3.5202 3.5894 3.5894 3.8005 3.8005 4.3429 4.3429 4.4451 4.4451 4.5377 4.5377 4.8194 4.8194 4.9547 4.9547 6.2870 6.2870 6.3391 6.3391 7.0515 7.0515 7.2658 7.2658 7.3050 7.3050 7.4005 7.4005 7.5277 7.5277 7.8071 7.8071 7.9577 7.9577 8.1574 8.1574 8.4869 8.4869 8.6878 8.6878 9.6620 9.6620 10.0876 10.0876 k =-0.2715 0.9265 0.1853 ( 7010 PWs) bands (ev): -5.9041 -5.9041 -5.6724 -5.6724 3.5544 3.5544 3.6102 3.6102 3.7880 3.7880 4.3582 4.3582 4.4242 4.4242 4.5423 4.5423 4.8096 4.8096 4.9086 4.9086 6.2825 6.2825 6.3322 6.3322 7.0515 7.0515 7.2497 7.2497 7.3327 7.3327 7.4081 7.4081 7.5160 7.5160 7.8297 7.8297 7.9320 7.9320 8.1609 8.1609 8.4753 8.4753 8.6674 8.6674 9.7321 9.7321 10.1445 10.1445 k =-0.2715 0.9265 0.2038 ( 7003 PWs) bands (ev): -5.8922 -5.8922 -5.6855 -5.6855 3.5781 3.5781 3.6461 3.6461 3.7748 3.7748 4.3733 4.3733 4.3991 4.3991 4.5464 4.5464 4.7991 4.7991 4.8649 4.8649 6.2785 6.2785 6.3248 6.3248 7.0534 7.0534 7.2336 7.2336 7.3626 7.3626 7.4157 7.4157 7.5048 7.5048 7.8413 7.8413 7.9145 7.9145 8.1587 8.1587 8.4702 8.4702 8.6490 8.6490 9.8029 9.8029 10.1993 10.1993 k =-0.2715 0.9265 0.2223 ( 7009 PWs) bands (ev): -5.8795 -5.8795 -5.6993 -5.6993 3.5941 3.5941 3.6939 3.6939 3.7610 3.7610 4.3628 4.3628 4.3945 4.3945 4.5493 4.5493 4.7880 4.7880 4.8257 4.8257 6.2751 6.2751 6.3170 6.3170 7.0573 7.0573 7.2174 7.2174 7.3935 7.3935 7.4237 7.4237 7.4942 7.4942 7.8295 7.8295 7.9178 7.9178 8.1509 8.1509 8.4712 8.4712 8.6322 8.6322 9.8741 9.8741 10.2496 10.2496 k =-0.2715 0.9265 0.2408 ( 7019 PWs) bands (ev): -5.8661 -5.8661 -5.7138 -5.7138 3.6075 3.6075 3.7465 3.7465 3.7483 3.7483 4.3252 4.3252 4.4113 4.4113 4.5501 4.5501 4.7757 4.7757 4.7937 4.7937 6.2726 6.2726 6.3093 6.3093 7.0632 7.0632 7.2011 7.2011 7.4198 7.4198 7.4374 7.4374 7.4847 7.4847 7.8012 7.8012 7.9354 7.9354 8.1384 8.1384 8.4775 8.4775 8.6165 8.6165 9.9453 9.9453 10.2921 10.2921 k =-0.2715 0.9265 0.2594 ( 7014 PWs) bands (ev): -5.8520 -5.8520 -5.7288 -5.7288 3.6203 3.6203 3.7323 3.7323 3.8059 3.8059 4.2805 4.2805 4.4294 4.4294 4.5477 4.5477 4.7601 4.7601 4.7727 4.7727 6.2710 6.2710 6.3018 6.3018 7.0711 7.0711 7.1848 7.1848 7.4306 7.4306 7.4663 7.4663 7.4774 7.4774 7.7671 7.7671 7.9567 7.9567 8.1226 8.1226 8.4874 8.4874 8.6015 8.6015 10.0158 10.0158 10.3227 10.3227 k =-0.2715 0.9265 0.2779 ( 7024 PWs) bands (ev): -5.8374 -5.8374 -5.7441 -5.7441 3.6333 3.6333 3.7177 3.7177 3.8663 3.8663 4.2298 4.2298 4.4479 4.4479 4.5414 4.5414 4.7450 4.7450 4.7600 4.7600 6.2704 6.2704 6.2949 6.2949 7.0809 7.0809 7.1686 7.1686 7.4367 7.4367 7.4680 7.4680 7.5037 7.5037 7.7306 7.7306 7.9788 7.9788 8.1046 8.1046 8.4999 8.4999 8.5870 8.5870 10.0846 10.0846 10.3367 10.3367 k =-0.2715 0.9265 0.2964 ( 7018 PWs) bands (ev): -5.8223 -5.8223 -5.7597 -5.7597 3.6466 3.6466 3.7031 3.7031 3.9283 3.9283 4.1743 4.1743 4.4664 4.4664 4.5313 4.5313 4.7361 4.7361 4.7500 4.7500 6.2708 6.2708 6.2889 6.2889 7.0921 7.0921 7.1527 7.1527 7.4417 7.4417 7.4619 7.4619 7.5404 7.5404 7.6930 7.6930 8.0007 8.0007 8.0853 8.0853 8.5136 8.5136 8.5726 8.5726 10.1504 10.1504 10.3311 10.3311 k =-0.2715 0.9265 0.3149 ( 7014 PWs) bands (ev): -5.8069 -5.8069 -5.7755 -5.7755 3.6603 3.6603 3.6886 3.6886 3.9911 3.9911 4.1153 4.1153 4.4845 4.4845 4.5178 4.5178 4.7334 4.7334 4.7419 4.7419 6.2719 6.2719 6.2844 6.2844 7.1042 7.1042 7.1379 7.1379 7.4462 7.4462 7.4566 7.4566 7.5780 7.5780 7.6548 7.6548 8.0220 8.0220 8.0654 8.0654 8.5279 8.5279 8.5583 8.5583 10.2112 10.2112 10.3061 10.3061 k =-0.2715 0.9265 0.3335 ( 7028 PWs) bands (ev): -5.7912 -5.7912 -5.7912 -5.7912 3.6740 3.6740 3.6745 3.6745 4.0504 4.0504 4.0572 4.0572 4.5007 4.5007 4.5030 4.5030 4.7347 4.7347 4.7371 4.7371 6.2727 6.2727 6.2825 6.2825 7.1124 7.1124 7.1287 7.1287 7.4493 7.4493 7.4533 7.4533 7.6133 7.6133 7.6193 7.6193 8.0384 8.0384 8.0495 8.0495 8.5393 8.5393 8.5469 8.5469 10.2599 10.2599 10.2692 10.2692 k =-0.2715 0.9265 0.3335 ( 7028 PWs) bands (ev): -5.7912 -5.7912 -5.7912 -5.7912 3.6740 3.6740 3.6745 3.6745 4.0504 4.0504 4.0572 4.0572 4.5007 4.5007 4.5030 4.5030 4.7347 4.7347 4.7371 4.7371 6.2727 6.2727 6.2825 6.2825 7.1124 7.1124 7.1287 7.1287 7.4493 7.4493 7.4533 7.4533 7.6133 7.6133 7.6193 7.6193 8.0384 8.0384 8.0495 8.0495 8.5393 8.5393 8.5469 8.5469 10.2599 10.2599 10.2692 10.2692 k =-0.2768 0.9083 0.3335 ( 7016 PWs) bands (ev): -5.7928 -5.7928 -5.7927 -5.7927 3.6882 3.6882 3.6897 3.6897 4.0584 4.0584 4.0643 4.0643 4.4690 4.4690 4.4716 4.4716 4.7225 4.7225 4.7225 4.7225 6.3062 6.3062 6.3174 6.3174 7.1200 7.1200 7.1354 7.1354 7.4051 7.4051 7.4111 7.4111 7.6119 7.6119 7.6184 7.6184 8.0469 8.0469 8.0597 8.0597 8.5253 8.5253 8.5332 8.5332 10.2588 10.2588 10.2681 10.2681 k =-0.2821 0.8902 0.3335 ( 7000 PWs) bands (ev): -5.7945 -5.7945 -5.7944 -5.7944 3.6985 3.6985 3.7023 3.7023 4.0668 4.0668 4.0718 4.0718 4.4319 4.4319 4.4360 4.4360 4.7112 4.7112 4.7124 4.7124 6.3431 6.3431 6.3556 6.3556 7.1286 7.1286 7.1435 7.1435 7.3584 7.3584 7.3661 7.3661 7.6133 7.6133 7.6200 7.6200 8.0581 8.0581 8.0725 8.0725 8.5119 8.5119 8.5202 8.5202 10.2586 10.2586 10.2680 10.2680 k =-0.2874 0.8721 0.3335 ( 7008 PWs) bands (ev): -5.7965 -5.7965 -5.7964 -5.7964 3.7051 3.7051 3.7115 3.7115 4.0755 4.0755 4.0793 4.0793 4.3908 4.3908 4.3974 4.3974 4.7026 4.7026 4.7041 4.7041 6.3826 6.3826 6.3963 6.3963 7.1380 7.1380 7.1531 7.1531 7.3100 7.3100 7.3198 7.3198 7.6167 7.6167 7.6236 7.6236 8.0719 8.0719 8.0877 8.0877 8.4994 8.4994 8.5082 8.5082 10.2593 10.2593 10.2689 10.2689 k =-0.2927 0.8539 0.3335 ( 7022 PWs) bands (ev): -5.7987 -5.7987 -5.7986 -5.7986 3.7076 3.7076 3.7170 3.7170 4.0842 4.0842 4.0868 4.0868 4.3474 4.3474 4.3573 4.3573 4.6961 4.6961 4.6971 4.6971 6.4237 6.4237 6.4386 6.4386 7.1470 7.1470 7.1635 7.1635 7.2616 7.2616 7.2741 7.2741 7.6220 7.6220 7.6291 7.6291 8.0882 8.0882 8.1053 8.1053 8.4881 8.4881 8.4974 8.4974 10.2607 10.2607 10.2707 10.2707 k =-0.2980 0.8358 0.3335 ( 7028 PWs) bands (ev): -5.8012 -5.8012 -5.8010 -5.8010 3.7057 3.7057 3.7182 3.7182 4.0926 4.0926 4.0940 4.0940 4.3034 4.3034 4.3171 4.3171 4.6910 4.6910 4.6910 4.6910 6.4656 6.4656 6.4818 6.4818 7.1505 7.1505 7.1695 7.1695 7.2187 7.2187 7.2347 7.2347 7.6292 7.6292 7.6363 7.6363 8.1069 8.1069 8.1251 8.1251 8.4782 8.4782 8.4882 8.4882 10.2626 10.2626 10.2730 10.2730 k =-0.3034 0.8176 0.3335 ( 7032 PWs) bands (ev): -5.8038 -5.8038 -5.8036 -5.8036 3.6989 3.6989 3.7147 3.7147 4.1004 4.1004 4.1007 4.1007 4.2603 4.2603 4.2782 4.2782 4.6856 4.6856 4.6868 4.6868 6.5076 6.5076 6.5250 6.5250 7.1333 7.1333 7.1438 7.1438 7.2092 7.2092 7.2173 7.2173 7.6381 7.6381 7.6453 7.6453 8.1280 8.1280 8.1470 8.1470 8.4701 8.4701 8.4807 8.4807 10.2646 10.2646 10.2755 10.2755 k =-0.3087 0.7995 0.3335 ( 7036 PWs) bands (ev): -5.8067 -5.8067 -5.8064 -5.8064 3.6866 3.6866 3.7056 3.7056 4.1063 4.1063 4.1072 4.1072 4.2198 4.2198 4.2420 4.2420 4.6804 4.6804 4.6832 4.6832 6.5489 6.5489 6.5674 6.5674 7.0932 7.0932 7.0959 7.0959 7.2242 7.2242 7.2246 7.2246 7.6488 7.6488 7.6560 7.6560 8.1513 8.1513 8.1710 8.1710 8.4640 8.4640 8.4752 8.4752 10.2666 10.2666 10.2780 10.2780 k =-0.3140 0.7814 0.3335 ( 7020 PWs) bands (ev): -5.8097 -5.8097 -5.8095 -5.8095 3.6686 3.6686 3.6904 3.6904 4.1105 4.1105 4.1124 4.1124 4.1837 4.1837 4.2099 4.2099 4.6753 4.6753 4.6798 4.6798 6.5887 6.5887 6.6085 6.6085 7.0447 7.0447 7.0449 7.0449 7.2422 7.2422 7.2451 7.2451 7.6614 7.6614 7.6685 7.6685 8.1768 8.1768 8.1971 8.1971 8.4601 8.4601 8.4718 8.4718 10.2681 10.2681 10.2801 10.2801 k =-0.3193 0.7632 0.3335 ( 7008 PWs) bands (ev): -5.8130 -5.8130 -5.8127 -5.8127 3.6444 3.6444 3.6685 3.6685 4.1120 4.1120 4.1151 4.1151 4.1543 4.1543 4.1835 4.1835 4.6701 4.6701 4.6764 4.6764 6.6265 6.6265 6.6475 6.6475 6.9928 6.9928 6.9943 6.9943 7.2646 7.2646 7.2696 7.2696 7.6758 7.6758 7.6827 7.6827 8.2046 8.2046 8.2253 8.2253 8.4586 8.4586 8.4708 8.4708 10.2687 10.2687 10.2813 10.2813 k =-0.3246 0.7451 0.3335 ( 7020 PWs) bands (ev): -5.8164 -5.8164 -5.8161 -5.8161 3.6143 3.6143 3.6396 3.6396 4.1070 4.1070 4.1139 4.1139 4.1356 4.1356 4.1642 4.1642 4.6647 4.6647 4.6728 4.6728 6.6617 6.6617 6.6840 6.6840 6.9410 6.9410 6.9430 6.9430 7.2902 7.2902 7.2968 7.2968 7.6922 7.6922 7.6986 7.6986 8.2347 8.2347 8.2555 8.2555 8.4597 8.4597 8.4723 8.4723 10.2683 10.2683 10.2815 10.2815 k =-0.3299 0.7269 0.3335 ( 7016 PWs) bands (ev): -5.8200 -5.8200 -5.8197 -5.8197 3.5785 3.5785 3.6041 3.6041 4.0943 4.0943 4.1080 4.1080 4.1290 4.1290 4.1530 4.1530 4.6591 4.6591 4.6690 4.6690 6.6940 6.6940 6.7175 6.7175 6.8898 6.8898 6.8919 6.8919 7.3181 7.3181 7.3264 7.3264 7.7105 7.7105 7.7163 7.7163 8.2672 8.2672 8.2880 8.2880 8.4636 8.4636 8.4763 8.4763 10.2666 10.2666 10.2804 10.2804 k =-0.3352 0.7088 0.3335 ( 7010 PWs) bands (ev): -5.8238 -5.8238 -5.8234 -5.8234 3.5376 3.5376 3.5627 3.5627 4.0817 4.0817 4.0993 4.0993 4.1261 4.1261 4.1474 4.1474 4.6533 4.6533 4.6648 4.6648 6.7227 6.7227 6.7470 6.7470 6.8399 6.8399 6.8421 6.8421 7.3475 7.3475 7.3574 7.3574 7.7308 7.7308 7.7359 7.7359 8.3023 8.3023 8.3227 8.3227 8.4704 8.4704 8.4831 8.4831 10.2635 10.2635 10.2779 10.2779 k =-0.3406 0.6907 0.3335 ( 7018 PWs) bands (ev): -5.8277 -5.8277 -5.8273 -5.8273 3.4926 3.4926 3.5165 3.5165 4.0725 4.0725 4.0910 4.0910 4.1230 4.1230 4.1436 4.1436 4.6472 4.6472 4.6602 4.6602 6.7437 6.7437 6.7638 6.7638 6.7958 6.7958 6.8029 6.8029 7.3774 7.3774 7.3890 7.3890 7.7533 7.7533 7.7575 7.7575 8.3400 8.3400 8.3598 8.3598 8.4803 8.4803 8.4928 8.4928 10.2591 10.2591 10.2741 10.2741 k =-0.3459 0.6725 0.3335 ( 7026 PWs) bands (ev): -5.8317 -5.8317 -5.8314 -5.8314 3.4442 3.4442 3.4666 3.4666 4.0668 4.0668 4.0841 4.0841 4.1185 4.1185 4.1398 4.1398 4.6409 4.6409 4.6552 4.6552 6.7264 6.7264 6.7313 6.7313 6.7881 6.7881 6.8109 6.8109 7.4067 7.4067 7.4200 7.4200 7.7783 7.7783 7.7815 7.7815 8.3805 8.3805 8.3992 8.3992 8.4936 8.4936 8.5054 8.5054 10.2537 10.2537 10.2692 10.2692 k =-0.3512 0.6544 0.3335 ( 7026 PWs) bands (ev): -5.8359 -5.8359 -5.8356 -5.8356 3.3934 3.3934 3.4139 3.4139 4.0640 4.0640 4.0789 4.0789 4.1125 4.1125 4.1353 4.1353 4.6344 4.6344 4.6498 4.6498 6.6815 6.6815 6.6837 6.6837 6.8068 6.8068 6.8325 6.8325 7.4342 7.4342 7.4490 7.4490 7.8060 7.8060 7.8081 7.8081 8.4238 8.4238 8.4408 8.4408 8.5108 8.5108 8.5212 8.5212 10.2477 10.2477 10.2637 10.2637 k =-0.3565 0.6363 0.3335 ( 7022 PWs) bands (ev): -5.8403 -5.8403 -5.8399 -5.8399 3.3407 3.3407 3.3593 3.3593 4.0633 4.0633 4.0746 4.0746 4.1051 4.1051 4.1303 4.1303 4.6278 4.6278 4.6441 4.6441 6.6340 6.6340 6.6353 6.6353 6.8270 6.8270 6.8537 6.8537 7.4588 7.4588 7.4748 7.4748 7.8367 7.8367 7.8379 7.8379 8.4697 8.4697 8.4832 8.4832 8.5331 8.5331 8.5404 8.5404 10.2416 10.2416 10.2581 10.2581 k =-0.3618 0.6181 0.3335 ( 7014 PWs) bands (ev): -5.8447 -5.8447 -5.8443 -5.8443 3.2869 3.2869 3.3037 3.3037 4.0635 4.0635 4.0700 4.0700 4.0972 4.0972 4.1256 4.1256 4.6211 4.6211 4.6380 4.6380 6.5866 6.5866 6.5872 6.5872 6.8466 6.8466 6.8738 6.8738 7.4794 7.4794 7.4964 7.4964 7.8704 7.8704 7.8709 7.8709 8.5175 8.5175 8.5233 8.5233 8.5639 8.5639 8.5640 8.5640 10.2359 10.2359 10.2530 10.2530 k =-0.3671 0.6000 0.3335 ( 7018 PWs) bands (ev): -5.8492 -5.8492 -5.8488 -5.8488 3.2324 3.2324 3.2474 3.2474 4.0616 4.0616 4.0638 4.0638 4.0914 4.0914 4.1224 4.1224 4.6144 4.6144 4.6316 4.6316 6.5397 6.5397 6.5397 6.5397 6.8654 6.8654 6.8929 6.8929 7.4954 7.4954 7.5129 7.5129 7.9072 7.9072 7.9073 7.9073 8.5577 8.5577 8.5639 8.5639 8.5953 8.5953 8.6069 8.6069 10.2313 10.2313 10.2490 10.2490 k =-0.3724 0.5818 0.3335 ( 7020 PWs) bands (ev): -5.8538 -5.8538 -5.8534 -5.8534 3.1778 3.1778 3.1911 3.1911 4.0539 4.0539 4.0546 4.0546 4.0912 4.0912 4.1218 4.1218 4.6078 4.6078 4.6249 4.6249 6.4930 6.4930 6.4934 6.4934 6.8834 6.8834 6.9109 6.9109 7.5066 7.5066 7.5242 7.5242 7.9466 7.9466 7.9466 7.9466 8.5896 8.5896 8.6022 8.6022 8.6409 8.6409 8.6586 8.6586 10.2281 10.2281 10.2466 10.2466 k =-0.3778 0.5637 0.3335 ( 7012 PWs) bands (ev): -5.8585 -5.8585 -5.8580 -5.8580 3.1234 3.1234 3.1351 3.1351 4.0407 4.0407 4.0420 4.0420 4.0963 4.0963 4.1242 4.1242 4.6012 4.6012 4.6181 4.6181 6.4470 6.4470 6.4479 6.4479 6.9008 6.9008 6.9282 6.9282 7.5129 7.5129 7.5302 7.5302 7.9882 7.9882 7.9883 7.9883 8.6225 8.6225 8.6363 8.6363 8.6968 8.6968 8.7156 8.7156 10.2266 10.2266 10.2460 10.2460 k =-0.3831 0.5456 0.3335 ( 7004 PWs) bands (ev): -5.8631 -5.8631 -5.8627 -5.8627 3.0695 3.0695 3.0798 3.0798 4.0242 4.0242 4.0263 4.0263 4.1044 4.1044 4.1292 4.1292 4.5948 4.5948 4.6111 4.6111 6.4019 6.4019 6.4031 6.4031 6.9176 6.9176 6.9448 6.9448 7.5146 7.5146 7.5312 7.5312 8.0316 8.0316 8.0319 8.0319 8.6577 8.6577 8.6716 8.6716 8.7576 8.7576 8.7762 8.7762 10.2272 10.2272 10.2476 10.2476 k =-0.3884 0.5274 0.3335 ( 7000 PWs) bands (ev): -5.8678 -5.8678 -5.8674 -5.8674 3.0164 3.0164 3.0254 3.0254 4.0056 4.0056 4.0082 4.0082 4.1144 4.1144 4.1365 4.1365 4.5885 4.5885 4.6041 4.6041 6.3575 6.3575 6.3591 6.3591 6.9338 6.9338 6.9607 6.9607 7.5120 7.5120 7.5279 7.5279 8.0761 8.0761 8.0766 8.0766 8.6957 8.6957 8.7095 8.7095 8.8215 8.8215 8.8399 8.8399 10.2298 10.2298 10.2513 10.2513 k =-0.3937 0.5093 0.3335 ( 7012 PWs) bands (ev): -5.8725 -5.8725 -5.8721 -5.8721 2.9643 2.9643 2.9721 2.9721 3.9854 3.9854 3.9883 3.9883 4.1258 4.1258 4.1455 4.1455 4.5822 4.5822 4.5969 4.5969 6.3140 6.3140 6.3158 6.3158 6.9496 6.9496 6.9759 6.9759 7.5058 7.5058 7.5207 7.5207 8.1212 8.1212 8.1221 8.1221 8.7366 8.7366 8.7503 8.7503 8.8879 8.8879 8.9062 8.9062 10.2341 10.2341 10.2568 10.2568 k =-0.3990 0.4911 0.3335 ( 7012 PWs) bands (ev): -5.8772 -5.8772 -5.8768 -5.8768 2.9135 2.9135 2.9203 2.9203 3.9641 3.9641 3.9669 3.9669 4.1385 4.1385 4.1560 4.1560 4.5762 4.5762 4.5898 4.5898 6.2713 6.2713 6.2734 6.2734 6.9648 6.9648 6.9904 6.9904 7.4965 7.4965 7.5103 7.5103 8.1665 8.1665 8.1677 8.1677 8.7804 8.7804 8.7940 8.7940 8.9562 8.9562 8.9745 8.9745 10.2399 10.2399 10.2638 10.2638 k =-0.4043 0.4730 0.3335 ( 7016 PWs) bands (ev): -5.8819 -5.8819 -5.8815 -5.8815 2.8642 2.8642 2.8700 2.8700 3.9419 3.9419 3.9444 3.9444 4.1521 4.1521 4.1677 4.1677 4.5702 4.5702 4.5826 4.5826 6.2297 6.2297 6.2319 6.2319 6.9792 6.9792 7.0041 7.0041 7.4846 7.4846 7.4974 7.4974 8.2116 8.2116 8.2130 8.2130 8.8269 8.8269 8.8405 8.8405 9.0261 9.0261 9.0447 9.0447 10.2466 10.2466 10.2714 10.2714 k =-0.4096 0.4549 0.3335 ( 7012 PWs) bands (ev): -5.8864 -5.8864 -5.8860 -5.8860 2.8166 2.8166 2.8215 2.8215 3.9192 3.9192 3.9214 3.9214 4.1667 4.1667 4.1804 4.1804 4.5643 4.5643 4.5754 4.5754 6.1890 6.1890 6.1913 6.1913 6.9929 6.9929 7.0169 7.0169 7.4708 7.4708 7.4824 7.4824 8.2563 8.2563 8.2578 8.2578 8.8759 8.8759 8.8896 8.8896 9.0970 9.0970 9.1161 9.1161 10.2535 10.2535 10.2789 10.2789 k =-0.4150 0.4367 0.3335 ( 7008 PWs) bands (ev): -5.8909 -5.8909 -5.8905 -5.8905 2.7708 2.7708 2.7750 2.7750 3.8963 3.8963 3.8980 3.8980 4.1821 4.1821 4.1940 4.1940 4.5585 4.5585 4.5683 4.5683 6.1494 6.1494 6.1518 6.1518 7.0056 7.0056 7.0286 7.0286 7.4558 7.4558 7.4662 7.4662 8.3003 8.3003 8.3019 8.3019 8.9270 8.9270 8.9409 8.9409 9.1686 9.1686 9.1885 9.1885 10.2597 10.2597 10.2850 10.2850 k =-0.4203 0.4186 0.3335 ( 6994 PWs) bands (ev): -5.8952 -5.8952 -5.8949 -5.8949 2.7270 2.7270 2.7305 2.7305 3.8733 3.8733 3.8746 3.8746 4.1980 4.1980 4.2084 4.2084 4.5528 4.5528 4.5613 4.5613 6.1110 6.1110 6.1135 6.1135 7.0171 7.0171 7.0390 7.0390 7.4400 7.4400 7.4493 7.4493 8.3433 8.3433 8.3449 8.3449 8.9798 8.9798 8.9942 8.9942 9.2403 9.2403 9.2612 9.2612 10.2642 10.2642 10.2885 10.2885 k =-0.4256 0.4004 0.3335 ( 6986 PWs) bands (ev): -5.8994 -5.8994 -5.8991 -5.8991 2.6853 2.6853 2.6883 2.6883 3.8506 3.8506 3.8515 3.8515 4.2145 4.2145 4.2233 4.2233 4.5472 4.5472 4.5542 4.5542 6.0739 6.0739 6.0764 6.0764 7.0274 7.0274 7.0479 7.0479 7.4242 7.4242 7.4322 7.4322 8.3851 8.3851 8.3867 8.3867 9.0340 9.0340 9.0489 9.0489 9.3117 9.3117 9.3340 9.3340 10.2663 10.2663 10.2884 10.2884 k =-0.4309 0.3823 0.3335 ( 6990 PWs) bands (ev): -5.9035 -5.9035 -5.9032 -5.9032 2.6459 2.6459 2.6484 2.6484 3.8283 3.8283 3.8289 3.8289 4.2314 4.2314 4.2387 4.2387 4.5416 4.5416 4.5473 4.5473 6.0382 6.0382 6.0407 6.0407 7.0362 7.0362 7.0553 7.0553 7.4087 7.4087 7.4155 7.4155 8.4256 8.4256 8.4272 8.4272 9.0890 9.0890 9.1046 9.1046 9.3820 9.3820 9.4061 9.4061 10.2653 10.2653 10.2841 10.2841 k =-0.4362 0.3642 0.3335 ( 6986 PWs) bands (ev): -5.9073 -5.9073 -5.9070 -5.9070 2.6089 2.6089 2.6109 2.6109 3.8068 3.8068 3.8070 3.8070 4.2486 4.2486 4.2544 4.2544 4.5361 4.5361 4.5404 4.5404 6.0041 6.0041 6.0065 6.0065 7.0435 7.0435 7.0610 7.0610 7.3941 7.3941 7.3997 7.3997 8.4645 8.4645 8.4660 8.4660 9.1444 9.1444 9.1608 9.1608 9.4506 9.4506 9.4770 9.4770 10.2613 10.2613 10.2759 10.2759 k =-0.4415 0.3460 0.3335 ( 6996 PWs) bands (ev): -5.9110 -5.9110 -5.9107 -5.9107 2.5745 2.5745 2.5761 2.5761 3.7862 3.7862 3.7862 3.7862 4.2658 4.2658 4.2702 4.2702 4.5306 4.5306 4.5336 4.5336 5.9717 5.9717 5.9740 5.9740 7.0490 7.0490 7.0648 7.0648 7.3808 7.3808 7.3852 7.3852 8.5016 8.5016 8.5030 8.5030 9.1995 9.1995 9.2169 9.2169 9.5168 9.5168 9.5460 9.5460 10.2548 10.2548 10.2647 10.2647 k =-0.4469 0.3279 0.3335 ( 6992 PWs) bands (ev): -5.9144 -5.9144 -5.9141 -5.9141 2.5426 2.5426 2.5439 2.5439 3.7665 3.7665 3.7668 3.7668 4.2829 4.2829 4.2860 4.2860 4.5251 4.5251 4.5269 4.5269 5.9412 5.9412 5.9434 5.9434 7.0529 7.0529 7.0669 7.0669 7.3691 7.3691 7.3722 7.3722 8.5368 8.5368 8.5380 8.5380 9.2539 9.2539 9.2724 9.2724 9.5796 9.5796 9.6121 9.6121 10.2469 10.2469 10.2518 10.2518 k =-0.4522 0.3098 0.3335 ( 6994 PWs) bands (ev): -5.9175 -5.9175 -5.9173 -5.9173 2.5135 2.5135 2.5145 2.5145 3.7482 3.7482 3.7487 3.7487 4.2997 4.2997 4.3016 4.3016 4.5197 4.5197 4.5203 4.5203 5.9128 5.9128 5.9149 5.9149 7.0551 7.0551 7.0674 7.0674 7.3590 7.3590 7.3611 7.3611 8.5696 8.5696 8.5708 8.5708 9.3070 9.3070 9.3267 9.3267 9.6380 9.6380 9.6742 9.6742 10.2389 10.2389 10.2392 10.2392 k =-0.4575 0.2916 0.3335 ( 6990 PWs) bands (ev): -5.9204 -5.9204 -5.9202 -5.9202 2.4872 2.4872 2.4880 2.4880 3.7315 3.7315 3.7320 3.7320 4.3161 4.3161 4.3168 4.3168 4.5138 4.5138 4.5142 4.5142 5.8868 5.8868 5.8886 5.8886 7.0559 7.0559 7.0664 7.0664 7.3506 7.3506 7.3517 7.3517 8.6000 8.6000 8.6010 8.6010 9.3581 9.3581 9.3790 9.3790 9.6905 9.6905 9.7308 9.7308 10.2276 10.2276 10.2333 10.2333 k =-0.4628 0.2735 0.3335 ( 6982 PWs) bands (ev): -5.9230 -5.9230 -5.9228 -5.9228 2.4638 2.4638 2.4644 2.4644 3.7164 3.7164 3.7170 3.7170 4.3315 4.3315 4.3318 4.3318 4.5074 4.5074 4.5088 4.5088 5.8631 5.8631 5.8648 5.8648 7.0555 7.0555 7.0643 7.0643 7.3438 7.3438 7.3442 7.3442 8.6276 8.6276 8.6284 8.6284 9.4068 9.4068 9.4288 9.4288 9.7358 9.7358 9.7802 9.7802 10.2201 10.2201 10.2309 10.2309 k =-0.4681 0.2553 0.3335 ( 6988 PWs) bands (ev): -5.9252 -5.9252 -5.9251 -5.9251 2.4434 2.4434 2.4439 2.4439 3.7031 3.7031 3.7036 3.7036 4.3455 4.3455 4.3467 4.3467 4.5011 4.5011 4.5033 4.5033 5.8422 5.8422 5.8436 5.8436 7.0542 7.0542 7.0614 7.0614 7.3383 7.3383 7.3385 7.3385 8.6521 8.6521 8.6528 8.6528 9.4525 9.4525 9.4753 9.4753 9.7726 9.7726 9.8200 9.8200 10.2181 10.2181 10.2332 10.2332 k =-0.4734 0.2372 0.3335 ( 6984 PWs) bands (ev): -5.9272 -5.9272 -5.9270 -5.9270 2.4260 2.4260 2.4263 2.4263 3.6916 3.6916 3.6922 3.6922 4.3585 4.3585 4.3604 4.3604 4.4951 4.4951 4.4978 4.4978 5.8241 5.8241 5.8253 5.8253 7.0523 7.0523 7.0581 7.0581 7.3339 7.3339 7.3345 7.3345 8.6734 8.6734 8.6740 8.6740 9.4946 9.4946 9.5175 9.5175 9.8004 9.8004 9.8486 9.8486 10.2234 10.2234 10.2411 10.2411 k =-0.4787 0.2191 0.3335 ( 6998 PWs) bands (ev): -5.9288 -5.9288 -5.9287 -5.9287 2.4117 2.4117 2.4119 2.4119 3.6822 3.6822 3.6827 3.6827 4.3703 4.3703 4.3726 4.3726 4.4895 4.4895 4.4925 4.4925 5.8090 5.8090 5.8100 5.8100 7.0504 7.0504 7.0548 7.0548 7.3307 7.3307 7.3314 7.3314 8.6912 8.6912 8.6917 8.6917 9.5323 9.5323 9.5545 9.5545 9.8195 9.8195 9.8652 9.8652 10.2360 10.2360 10.2538 10.2538 k =-0.4841 0.2009 0.3335 ( 7012 PWs) bands (ev): -5.9300 -5.9300 -5.9299 -5.9299 2.4006 2.4006 2.4007 2.4007 3.6748 3.6748 3.6752 3.6752 4.3805 4.3805 4.3829 4.3829 4.4845 4.4845 4.4874 4.4874 5.7971 5.7971 5.7979 5.7979 7.0486 7.0486 7.0518 7.0518 7.3285 7.3285 7.3292 7.3292 8.7052 8.7052 8.7056 8.7056 9.5649 9.5649 9.5848 9.5848 9.8319 9.8319 9.8712 9.8712 10.2538 10.2538 10.2694 10.2694 k =-0.4894 0.1828 0.3335 ( 7004 PWs) bands (ev): -5.9309 -5.9309 -5.9309 -5.9309 2.3926 2.3926 2.3927 2.3927 3.6695 3.6695 3.6697 3.6697 4.3887 4.3887 4.3907 4.3907 4.4806 4.4806 4.4830 4.4830 5.7886 5.7886 5.7891 5.7891 7.0472 7.0472 7.0493 7.0493 7.3272 7.3272 7.3277 7.3277 8.7154 8.7154 8.7157 8.7157 9.5913 9.5913 9.6067 9.6067 9.8402 9.8402 9.8693 9.8693 10.2729 10.2729 10.2843 10.2843 k =-0.4947 0.1646 0.3335 ( 7016 PWs) bands (ev): -5.9315 -5.9315 -5.9314 -5.9314 2.3878 2.3878 2.3878 2.3878 3.6663 3.6663 3.6664 3.6664 4.3943 4.3943 4.3955 4.3955 4.4782 4.4782 4.4796 4.4796 5.7835 5.7835 5.7837 5.7837 7.0465 7.0465 7.0475 7.0475 7.3265 7.3265 7.3268 7.3268 8.7216 8.7216 8.7218 8.7218 9.6101 9.6101 9.6187 9.6187 9.8474 9.8474 9.8630 9.8630 10.2886 10.2886 10.2946 10.2946 k =-0.5000 0.1465 0.3335 ( 7020 PWs) bands (ev): -5.9316 -5.9316 -5.9316 -5.9316 2.3862 2.3862 2.3862 2.3862 3.6653 3.6653 3.6653 3.6653 4.3967 4.3967 4.3967 4.3967 4.4779 4.4779 4.4779 4.4779 5.7818 5.7818 5.7818 5.7818 7.0466 7.0466 7.0466 7.0466 7.3264 7.3264 7.3264 7.3264 8.7237 8.7237 8.7237 8.7237 9.6197 9.6197 9.6197 9.6197 9.8550 9.8550 9.8550 9.8550 10.2965 10.2965 10.2965 10.2965 k =-0.5000 0.1465 0.3335 ( 7020 PWs) bands (ev): -5.9316 -5.9316 -5.9316 -5.9316 2.3862 2.3862 2.3862 2.3862 3.6653 3.6653 3.6653 3.6653 4.3967 4.3967 4.3967 4.3967 4.4779 4.4779 4.4779 4.4779 5.7818 5.7818 5.7818 5.7818 7.0466 7.0466 7.0466 7.0466 7.3264 7.3264 7.3264 7.3264 8.7237 8.7237 8.7237 8.7237 9.6197 9.6197 9.6197 9.6197 9.8550 9.8550 9.8550 9.8550 10.2965 10.2965 10.2965 10.2965 k =-0.5000 0.1465 0.3149 ( 7018 PWs) bands (ev): -5.9479 -5.9479 -5.9153 -5.9153 2.3500 2.3500 2.4236 2.4236 3.6502 3.6502 3.6739 3.6739 4.3829 4.3829 4.4166 4.4166 4.4658 4.4658 4.4903 4.4903 5.7220 5.7220 5.8425 5.8425 7.0214 7.0214 7.0734 7.0734 7.3179 7.3179 7.3337 7.3337 8.6653 8.6653 8.7830 8.7830 9.5948 9.5948 9.6469 9.6469 9.8280 9.8280 9.8837 9.8837 10.2738 10.2738 10.3171 10.3171 k =-0.5000 0.1465 0.2964 ( 7014 PWs) bands (ev): -5.9639 -5.9639 -5.8989 -5.8989 2.3152 2.3152 2.4624 2.4624 3.6293 3.6293 3.6758 3.6758 4.3750 4.3750 4.4422 4.4422 4.4541 4.4541 4.5034 4.5034 5.6634 5.6634 5.9036 5.9036 6.9979 6.9979 7.1018 7.1018 7.3086 7.3086 7.3398 7.3398 8.6076 8.6076 8.8431 8.8431 9.5729 9.5729 9.6756 9.6756 9.8031 9.8031 9.9135 9.9135 10.2488 10.2488 10.3357 10.3357 k =-0.5000 0.1465 0.2779 ( 7022 PWs) bands (ev): -5.9796 -5.9796 -5.8827 -5.8827 2.2819 2.2819 2.5022 2.5022 3.6035 3.6035 3.6712 3.6712 4.3724 4.3724 4.4428 4.4428 4.4718 4.4718 4.5179 4.5179 5.6062 5.6062 5.9649 5.9649 6.9760 6.9760 7.1319 7.1319 7.2987 7.2987 7.3445 7.3445 8.5505 8.5505 8.9041 8.9041 9.5543 9.5543 9.7047 9.7047 9.7812 9.7812 9.9440 9.9440 10.2215 10.2215 10.3528 10.3528 k =-0.5000 0.1465 0.2594 ( 7018 PWs) bands (ev): -5.9948 -5.9948 -5.8667 -5.8667 2.2501 2.2501 2.5431 2.5431 3.5742 3.5742 3.6605 3.6605 4.3741 4.3741 4.4320 4.4320 4.5012 4.5012 4.5371 4.5371 5.5509 5.5509 6.0259 6.0259 6.9556 6.9556 7.1635 7.1635 7.2883 7.2883 7.3477 7.3477 8.4941 8.4941 8.9660 8.9660 9.5396 9.5396 9.7292 9.7292 9.7667 9.7667 9.9746 9.9746 10.1922 10.1922 10.3690 10.3690 k =-0.5000 0.1465 0.2408 ( 7014 PWs) bands (ev): -6.0094 -6.0094 -5.8511 -5.8511 2.2200 2.2200 2.5851 2.5851 3.5424 3.5424 3.6444 3.6444 4.3792 4.3792 4.4217 4.4217 4.5232 4.5232 4.5672 4.5672 5.4976 5.4976 6.0861 6.0861 6.9368 6.9368 7.1968 7.1968 7.2777 7.2777 7.3492 7.3492 8.4383 8.4383 9.0287 9.0287 9.5288 9.5288 9.7303 9.7303 9.7777 9.7777 10.0044 10.0044 10.1611 10.1611 10.3843 10.3843 k =-0.5000 0.1465 0.2223 ( 7004 PWs) bands (ev): -6.0234 -6.0234 -5.8361 -5.8361 2.1916 2.1916 2.6279 2.6279 3.5094 3.5094 3.6237 3.6237 4.3864 4.3864 4.4124 4.4124 4.5383 4.5383 4.6062 4.6062 5.4467 5.4467 6.1453 6.1453 6.9195 6.9195 7.2317 7.2317 7.2672 7.2672 7.3490 7.3490 8.3829 8.3829 9.0922 9.0922 9.5221 9.5221 9.7177 9.7177 9.8040 9.8040 10.0327 10.0327 10.1289 10.1289 10.3952 10.3952 k =-0.5000 0.1465 0.2038 ( 7002 PWs) bands (ev): -6.0366 -6.0366 -5.8217 -5.8217 2.1650 2.1650 2.6715 2.6715 3.4762 3.4762 3.5989 3.5989 4.3929 4.3929 4.4060 4.4060 4.5505 4.5505 4.6490 4.6490 5.3983 5.3983 6.2028 6.2028 6.9037 6.9037 7.2564 7.2564 7.2684 7.2684 7.3472 7.3472 8.3280 8.3280 9.1562 9.1562 9.5194 9.5194 9.7053 9.7053 9.8310 9.8310 10.0576 10.0576 10.0968 10.0968 10.3851 10.3851 k =-0.5000 0.1465 0.1853 ( 6994 PWs) bands (ev): -6.0489 -6.0489 -5.8081 -5.8081 2.1403 2.1403 2.7159 2.7159 3.4437 3.4437 3.5707 3.5707 4.3903 4.3903 4.4105 4.4105 4.5613 4.5613 4.6931 4.6931 5.3526 5.3526 6.2584 6.2584 6.8894 6.8894 7.2465 7.2465 7.3061 7.3061 7.3439 7.3439 8.2735 8.2735 9.2206 9.2206 9.5204 9.5204 9.6951 9.6951 9.8560 9.8560 10.0567 10.0567 10.0869 10.0869 10.3647 10.3647 k =-0.5000 0.1465 0.1667 ( 7000 PWs) bands (ev): -6.0603 -6.0603 -5.7953 -5.7953 2.1176 2.1176 2.7609 2.7609 3.4125 3.4125 3.5396 3.5396 4.3833 4.3833 4.4204 4.4204 4.5712 4.5712 4.7369 4.7369 5.3098 5.3098 6.3114 6.3114 6.8766 6.8766 7.2369 7.2369 7.3375 7.3375 7.3469 7.3469 8.2194 8.2194 9.2852 9.2852 9.5249 9.5249 9.6874 9.6874 9.8778 9.8778 10.0247 10.0247 10.1046 10.1046 10.3427 10.3427 k =-0.5000 0.1465 0.1482 ( 7002 PWs) bands (ev): -6.0708 -6.0708 -5.7836 -5.7836 2.0970 2.0970 2.8064 2.8064 3.3834 3.3834 3.5058 3.5058 4.3763 4.3763 4.4310 4.4310 4.5801 4.5801 4.7797 4.7797 5.2700 5.2700 6.3613 6.3613 6.8651 6.8651 7.2279 7.2279 7.3323 7.3323 7.3867 7.3867 8.1658 8.1658 9.3494 9.3494 9.5323 9.5323 9.6825 9.6825 9.8955 9.8955 9.9914 9.9914 10.1203 10.1203 10.3205 10.3205 k =-0.5000 0.1465 0.1297 ( 7016 PWs) bands (ev): -6.0801 -6.0801 -5.7729 -5.7729 2.0786 2.0786 2.8524 2.8524 3.3567 3.3567 3.4699 3.4699 4.3699 4.3699 4.4413 4.4413 4.5881 4.5881 4.8207 4.8207 5.2331 5.2331 6.4077 6.4077 6.8550 6.8550 7.2197 7.2197 7.3252 7.3252 7.4288 7.4288 8.1126 8.1126 9.4130 9.4130 9.5419 9.5419 9.6804 9.6804 9.9081 9.9081 9.9591 9.9591 10.1327 10.1327 10.2987 10.2987 k =-0.5000 0.1465 0.1112 ( 7034 PWs) bands (ev): -6.0883 -6.0883 -5.7635 -5.7635 2.0625 2.0625 2.8987 2.8987 3.3329 3.3329 3.4320 3.4320 4.3641 4.3641 4.4510 4.4510 4.5952 4.5952 4.8594 4.8594 5.1992 5.1992 6.4498 6.4498 6.8463 6.8463 7.2125 7.2125 7.3174 7.3174 7.4721 7.4721 8.0598 8.0598 9.4752 9.4752 9.5530 9.5530 9.6809 9.6809 9.9127 9.9127 9.9305 9.9305 10.1421 10.1421 10.2781 10.2781 k =-0.5000 0.1465 0.0926 ( 7026 PWs) bands (ev): -6.0954 -6.0954 -5.7554 -5.7554 2.0486 2.0486 2.9452 2.9452 3.3123 3.3123 3.3925 3.3925 4.3592 4.3592 4.4595 4.4595 4.6013 4.6013 4.8955 4.8955 5.1679 5.1679 6.4871 6.4871 6.8390 6.8390 7.2062 7.2062 7.3094 7.3094 7.5166 7.5166 8.0074 8.0074 9.5354 9.5354 9.5647 9.5647 9.6840 9.6840 9.8940 9.8940 9.9211 9.9211 10.1489 10.1489 10.2593 10.2593 k =-0.5000 0.1465 0.0741 ( 7026 PWs) bands (ev): -6.1012 -6.1012 -5.7486 -5.7486 2.0372 2.0372 2.9917 2.9917 3.2951 3.2951 3.3515 3.3515 4.3552 4.3552 4.4668 4.4668 4.6063 4.6063 4.9288 4.9288 5.1392 5.1392 6.5189 6.5189 6.8330 6.8330 7.2010 7.2010 7.3018 7.3018 7.5622 7.5622 7.9555 7.9555 9.5760 9.5760 9.5924 9.5924 9.6895 9.6895 9.8677 9.8677 9.9155 9.9155 10.1536 10.1536 10.2427 10.2427 k =-0.5000 0.1465 0.0556 ( 7020 PWs) bands (ev): -6.1057 -6.1057 -5.7433 -5.7433 2.0283 2.0283 3.0383 3.0383 3.2816 3.2816 3.3092 3.3092 4.3520 4.3520 4.4727 4.4727 4.6103 4.6103 4.9595 4.9595 5.1125 5.1125 6.5445 6.5445 6.8284 6.8284 7.1969 7.1969 7.2951 7.2951 7.6087 7.6087 7.9042 7.9042 9.5862 9.5862 9.6445 9.6445 9.6969 9.6969 9.8439 9.8439 9.9046 9.9046 10.1568 10.1568 10.2292 10.2292 k =-0.5000 0.1465 0.0371 ( 7016 PWs) bands (ev): -6.1090 -6.1090 -5.7394 -5.7394 2.0218 2.0218 3.0847 3.0847 3.2658 3.2658 3.2718 3.2718 4.3497 4.3497 4.4770 4.4770 4.6132 4.6132 4.9876 4.9876 5.0874 5.0874 6.5633 6.5633 6.8251 6.8251 7.1939 7.1939 7.2898 7.2898 7.6562 7.6562 7.8533 7.8533 9.5943 9.5943 9.6876 9.6876 9.7070 9.7070 9.8250 9.8250 9.8886 9.8886 10.1588 10.1588 10.2190 10.2190 k =-0.5000 0.1465 0.0185 ( 7014 PWs) bands (ev): -6.1110 -6.1110 -5.7371 -5.7371 2.0180 2.0180 3.1307 3.1307 3.2216 3.2216 3.2659 3.2659 4.3483 4.3483 4.4796 4.4796 4.6149 4.6149 5.0137 5.0137 5.0632 5.0632 6.5749 6.5749 6.8231 6.8231 7.1922 7.1922 7.2864 7.2864 7.7044 7.7044 7.8031 7.8031 9.5994 9.5994 9.7070 9.7070 9.7274 9.7274 9.8141 9.8141 9.8710 9.8710 10.1599 10.1599 10.2128 10.2128 k =-0.5000 0.1465 0.0000 ( 7016 PWs) bands (ev): -6.1117 -6.1117 -5.7363 -5.7363 2.0167 2.0167 3.1728 3.1728 3.1801 3.1801 3.2639 3.2639 4.3478 4.3478 4.4805 4.4805 4.6155 4.6155 5.0354 5.0354 5.0420 5.0420 6.5787 6.5787 6.8224 6.8224 7.1916 7.1916 7.2852 7.2852 7.7515 7.7515 7.7553 7.7553 9.6012 9.6012 9.7109 9.7109 9.7387 9.7387 9.8119 9.8119 9.8618 9.8618 10.1603 10.1603 10.2106 10.2106 k = 0.0000 0.0000 0.3335 ( 7026 PWs) bands (ev): -5.9621 -5.9621 -5.9621 -5.9621 2.3686 2.3686 2.3686 2.3686 3.7268 3.7268 3.7268 3.7268 4.0889 4.0889 4.0889 4.0889 4.5807 4.5807 4.5807 4.5807 6.5594 6.5594 6.5594 6.5594 6.8602 6.8602 6.8602 6.8602 7.6773 7.6773 7.6773 7.6773 8.6704 8.6704 8.6704 8.6704 9.5534 9.5534 9.5534 9.5534 9.6726 9.6726 9.6726 9.6726 10.3071 10.3071 10.3071 10.3071 k =-0.0179 0.0052 0.3335 ( 7022 PWs) bands (ev): -5.9620 -5.9620 -5.9620 -5.9620 2.3687 2.3687 2.3687 2.3687 3.7271 3.7271 3.7271 3.7271 4.0889 4.0889 4.0889 4.0889 4.5804 4.5804 4.5804 4.5804 6.5562 6.5562 6.5562 6.5562 6.8626 6.8626 6.8626 6.8626 7.6760 7.6760 7.6760 7.6760 8.6694 8.6694 8.6694 8.6694 9.5544 9.5544 9.5544 9.5544 9.6727 9.6727 9.6727 9.6727 10.3082 10.3082 10.3082 10.3082 k =-0.0357 0.0105 0.3335 ( 7028 PWs) bands (ev): -5.9617 -5.9617 -5.9617 -5.9617 2.3688 2.3688 2.3688 2.3688 3.7280 3.7280 3.7280 3.7280 4.0890 4.0890 4.0890 4.0890 4.5794 4.5794 4.5794 4.5794 6.5466 6.5466 6.5466 6.5466 6.8697 6.8697 6.8697 6.8697 7.6721 7.6721 7.6721 7.6721 8.6662 8.6662 8.6662 8.6662 9.5573 9.5573 9.5573 9.5573 9.6731 9.6731 9.6731 9.6731 10.3114 10.3114 10.3114 10.3114 k =-0.0536 0.0157 0.3335 ( 7030 PWs) bands (ev): -5.9613 -5.9613 -5.9613 -5.9613 2.3691 2.3691 2.3691 2.3691 3.7294 3.7294 3.7294 3.7294 4.0893 4.0893 4.0893 4.0893 4.5777 4.5777 4.5777 4.5777 6.5313 6.5313 6.5313 6.5313 6.8808 6.8808 6.8808 6.8808 7.6655 7.6655 7.6655 7.6655 8.6615 8.6615 8.6615 8.6615 9.5619 9.5619 9.5619 9.5619 9.6737 9.6737 9.6737 9.6737 10.3164 10.3164 10.3164 10.3164 k =-0.0714 0.0209 0.3335 ( 7030 PWs) bands (ev): -5.9606 -5.9606 -5.9606 -5.9606 2.3694 2.3694 2.3694 2.3694 3.7311 3.7311 3.7311 3.7311 4.0900 4.0900 4.0900 4.0900 4.5754 4.5754 4.5754 4.5754 6.5112 6.5112 6.5112 6.5112 6.8952 6.8952 6.8952 6.8952 7.6558 7.6558 7.6558 7.6558 8.6558 8.6558 8.6558 8.6558 9.5682 9.5682 9.5682 9.5682 9.6748 9.6748 9.6748 9.6748 10.3230 10.3230 10.3230 10.3230 k =-0.0893 0.0262 0.3335 ( 7034 PWs) bands (ev): -5.9598 -5.9598 -5.9598 -5.9598 2.3698 2.3698 2.3698 2.3698 3.7331 3.7331 3.7331 3.7331 4.0913 4.0913 4.0913 4.0913 4.5724 4.5724 4.5724 4.5724 6.4872 6.4872 6.4872 6.4872 6.9122 6.9122 6.9122 6.9122 7.6429 7.6429 7.6429 7.6429 8.6498 8.6498 8.6498 8.6498 9.5757 9.5757 9.5757 9.5757 9.6763 9.6763 9.6763 9.6763 10.3307 10.3307 10.3307 10.3307 k =-0.1071 0.0314 0.3335 ( 7028 PWs) bands (ev): -5.9588 -5.9588 -5.9588 -5.9588 2.3704 2.3704 2.3704 2.3704 3.7351 3.7351 3.7351 3.7351 4.0934 4.0934 4.0934 4.0934 4.5689 4.5689 4.5689 4.5689 6.4598 6.4598 6.4598 6.4598 6.9311 6.9311 6.9311 6.9311 7.6264 7.6264 7.6264 7.6264 8.6443 8.6443 8.6443 8.6443 9.5843 9.5843 9.5843 9.5843 9.6785 9.6785 9.6785 9.6785 10.3390 10.3390 10.3390 10.3390 k =-0.1250 0.0366 0.3335 ( 7012 PWs) bands (ev): -5.9577 -5.9577 -5.9577 -5.9577 2.3709 2.3709 2.3709 2.3709 3.7368 3.7368 3.7368 3.7368 4.0965 4.0965 4.0965 4.0965 4.5649 4.5649 4.5649 4.5649 6.4296 6.4296 6.4296 6.4296 6.9515 6.9515 6.9515 6.9515 7.6063 7.6063 7.6063 7.6063 8.6399 8.6399 8.6399 8.6399 9.5935 9.5935 9.5935 9.5935 9.6815 9.6815 9.6815 9.6815 10.3473 10.3473 10.3473 10.3473 k =-0.1429 0.0419 0.3335 ( 7008 PWs) bands (ev): -5.9564 -5.9564 -5.9564 -5.9564 2.3716 2.3716 2.3716 2.3716 3.7381 3.7381 3.7381 3.7381 4.1011 4.1011 4.1011 4.1011 4.5604 4.5604 4.5604 4.5604 6.3972 6.3972 6.3972 6.3972 6.9731 6.9731 6.9731 6.9731 7.5825 7.5825 7.5825 7.5825 8.6372 8.6372 8.6372 8.6372 9.6032 9.6032 9.6032 9.6032 9.6854 9.6854 9.6854 9.6854 10.3552 10.3552 10.3552 10.3552 k =-0.1607 0.0471 0.3335 ( 7002 PWs) bands (ev): -5.9550 -5.9550 -5.9550 -5.9550 2.3724 2.3724 2.3724 2.3724 3.7387 3.7387 3.7387 3.7387 4.1074 4.1074 4.1074 4.1074 4.5555 4.5555 4.5555 4.5555 6.3627 6.3627 6.3627 6.3627 6.9956 6.9956 6.9956 6.9956 7.5552 7.5552 7.5552 7.5552 8.6365 8.6365 8.6365 8.6365 9.6128 9.6128 9.6128 9.6128 9.6902 9.6902 9.6902 9.6902 10.3621 10.3621 10.3621 10.3621 k =-0.1786 0.0523 0.3335 ( 7008 PWs) bands (ev): -5.9535 -5.9535 -5.9535 -5.9535 2.3732 2.3732 2.3732 2.3732 3.7385 3.7385 3.7385 3.7385 4.1156 4.1156 4.1156 4.1156 4.5502 4.5502 4.5502 4.5502 6.3266 6.3266 6.3266 6.3266 7.0188 7.0188 7.0188 7.0188 7.5247 7.5247 7.5247 7.5247 8.6378 8.6378 8.6378 8.6378 9.6222 9.6222 9.6222 9.6222 9.6961 9.6961 9.6961 9.6961 10.3677 10.3677 10.3677 10.3677 k =-0.1964 0.0576 0.3335 ( 7002 PWs) bands (ev): -5.9519 -5.9519 -5.9519 -5.9519 2.3740 2.3740 2.3740 2.3740 3.7372 3.7372 3.7372 3.7372 4.1259 4.1259 4.1259 4.1259 4.5447 4.5447 4.5447 4.5447 6.2891 6.2891 6.2891 6.2891 7.0425 7.0425 7.0425 7.0425 7.4915 7.4915 7.4915 7.4915 8.6412 8.6412 8.6412 8.6412 9.6309 9.6309 9.6309 9.6309 9.7030 9.7030 9.7030 9.7030 10.3717 10.3717 10.3717 10.3717 k =-0.2143 0.0628 0.3335 ( 6996 PWs) bands (ev): -5.9503 -5.9503 -5.9503 -5.9503 2.3749 2.3749 2.3749 2.3749 3.7349 3.7349 3.7349 3.7349 4.1383 4.1383 4.1383 4.1383 4.5390 4.5390 4.5390 4.5390 6.2506 6.2506 6.2506 6.2506 7.0664 7.0664 7.0664 7.0664 7.4561 7.4561 7.4561 7.4561 8.6463 8.6463 8.6463 8.6463 9.6386 9.6386 9.6386 9.6386 9.7110 9.7110 9.7110 9.7110 10.3739 10.3739 10.3739 10.3739 k =-0.2321 0.0680 0.3335 ( 6994 PWs) bands (ev): -5.9486 -5.9486 -5.9486 -5.9486 2.3759 2.3759 2.3759 2.3759 3.7317 3.7317 3.7317 3.7317 4.1527 4.1527 4.1527 4.1527 4.5332 4.5332 4.5332 4.5332 6.2112 6.2112 6.2112 6.2112 7.0905 7.0905 7.0905 7.0905 7.4192 7.4192 7.4192 7.4192 8.6529 8.6529 8.6529 8.6529 9.6451 9.6451 9.6451 9.6451 9.7198 9.7198 9.7198 9.7198 10.3742 10.3742 10.3742 10.3742 k =-0.2500 0.0733 0.3335 ( 6984 PWs) bands (ev): -5.9469 -5.9469 -5.9469 -5.9469 2.3769 2.3769 2.3769 2.3769 3.7274 3.7274 3.7274 3.7274 4.1692 4.1692 4.1692 4.1692 4.5274 4.5274 4.5274 4.5274 6.1714 6.1714 6.1714 6.1714 7.1144 7.1144 7.1144 7.1144 7.3815 7.3815 7.3815 7.3815 8.6604 8.6604 8.6604 8.6604 9.6502 9.6502 9.6502 9.6502 9.7294 9.7294 9.7294 9.7294 10.3728 10.3728 10.3728 10.3728 k =-0.2679 0.0785 0.3335 ( 6976 PWs) bands (ev): -5.9452 -5.9452 -5.9452 -5.9452 2.3778 2.3778 2.3778 2.3778 3.7224 3.7224 3.7224 3.7224 4.1874 4.1874 4.1874 4.1874 4.5216 4.5216 4.5216 4.5216 6.1313 6.1313 6.1313 6.1313 7.1380 7.1380 7.1380 7.1380 7.3436 7.3436 7.3436 7.3436 8.6685 8.6685 8.6685 8.6685 9.6535 9.6535 9.6535 9.6535 9.7396 9.7396 9.7396 9.7396 10.3698 10.3698 10.3698 10.3698 k =-0.2857 0.0837 0.3335 ( 6972 PWs) bands (ev): -5.9435 -5.9435 -5.9435 -5.9435 2.3788 2.3788 2.3788 2.3788 3.7168 3.7168 3.7168 3.7168 4.2071 4.2071 4.2071 4.2071 4.5158 4.5158 4.5158 4.5158 6.0913 6.0913 6.0913 6.0913 7.1609 7.1609 7.1609 7.1609 7.3063 7.3063 7.3063 7.3063 8.6767 8.6767 8.6767 8.6767 9.6552 9.6552 9.6552 9.6552 9.7504 9.7504 9.7504 9.7504 10.3655 10.3655 10.3655 10.3655 k =-0.3036 0.0889 0.3335 ( 6978 PWs) bands (ev): -5.9419 -5.9419 -5.9419 -5.9419 2.3798 2.3798 2.3798 2.3798 3.7108 3.7108 3.7108 3.7108 4.2279 4.2279 4.2279 4.2279 4.5103 4.5103 4.5103 4.5103 6.0518 6.0518 6.0518 6.0518 7.1826 7.1826 7.1826 7.1826 7.2706 7.2706 7.2706 7.2706 8.6848 8.6848 8.6848 8.6848 9.6550 9.6550 9.6550 9.6550 9.7617 9.7617 9.7617 9.7617 10.3601 10.3601 10.3601 10.3601 k =-0.3214 0.0942 0.3335 ( 6974 PWs) bands (ev): -5.9403 -5.9403 -5.9403 -5.9403 2.3808 2.3808 2.3808 2.3808 3.7046 3.7046 3.7046 3.7046 4.2495 4.2495 4.2495 4.2495 4.5050 4.5050 4.5050 4.5050 6.0131 6.0131 6.0131 6.0131 7.2007 7.2007 7.2007 7.2007 7.2391 7.2391 7.2391 7.2391 8.6923 8.6923 8.6923 8.6923 9.6533 9.6533 9.6533 9.6533 9.7733 9.7733 9.7733 9.7733 10.3538 10.3538 10.3538 10.3538 k =-0.3393 0.0994 0.3335 ( 6974 PWs) bands (ev): -5.9388 -5.9388 -5.9388 -5.9388 2.3817 2.3817 2.3817 2.3817 3.6984 3.6984 3.6984 3.6984 4.2714 4.2714 4.2714 4.2714 4.5001 4.5001 4.5001 4.5001 5.9757 5.9757 5.9757 5.9757 7.1947 7.1947 7.1947 7.1947 7.2327 7.2327 7.2327 7.2327 8.6992 8.6992 8.6992 8.6992 9.6503 9.6503 9.6503 9.6503 9.7850 9.7850 9.7850 9.7850 10.3468 10.3468 10.3468 10.3468 k =-0.3571 0.1046 0.3335 ( 6980 PWs) bands (ev): -5.9374 -5.9374 -5.9374 -5.9374 2.3825 2.3825 2.3825 2.3825 3.6923 3.6923 3.6923 3.6923 4.2930 4.2930 4.2930 4.2930 4.4955 4.4955 4.4955 4.4955 5.9400 5.9400 5.9400 5.9400 7.1676 7.1676 7.1676 7.1676 7.2484 7.2484 7.2484 7.2484 8.7052 8.7052 8.7052 8.7052 9.6463 9.6463 9.6463 9.6463 9.7967 9.7967 9.7967 9.7967 10.3393 10.3393 10.3393 10.3393 k =-0.3750 0.1099 0.3335 ( 6980 PWs) bands (ev): -5.9361 -5.9361 -5.9361 -5.9361 2.3833 2.3833 2.3833 2.3833 3.6866 3.6866 3.6866 3.6866 4.3140 4.3140 4.3140 4.3140 4.4913 4.4913 4.4913 4.4913 5.9067 5.9067 5.9067 5.9067 7.1408 7.1408 7.1408 7.1408 7.2651 7.2651 7.2651 7.2651 8.7102 8.7102 8.7102 8.7102 9.6416 9.6416 9.6416 9.6416 9.8082 9.8082 9.8082 9.8082 10.3316 10.3316 10.3316 10.3316 k =-0.3929 0.1151 0.3335 ( 6986 PWs) bands (ev): -5.9350 -5.9350 -5.9350 -5.9350 2.3840 2.3840 2.3840 2.3840 3.6813 3.6813 3.6813 3.6813 4.3337 4.3337 4.3337 4.3337 4.4877 4.4877 4.4877 4.4877 5.8761 5.8761 5.8761 5.8761 7.1166 7.1166 7.1166 7.1166 7.2804 7.2804 7.2804 7.2804 8.7143 8.7143 8.7143 8.7143 9.6368 9.6368 9.6368 9.6368 9.8190 9.8190 9.8190 9.8190 10.3238 10.3238 10.3238 10.3238 k =-0.4107 0.1203 0.3335 ( 6998 PWs) bands (ev): -5.9340 -5.9340 -5.9340 -5.9340 2.3847 2.3847 2.3847 2.3847 3.6766 3.6766 3.6766 3.6766 4.3516 4.3516 4.3516 4.3516 4.4846 4.4846 4.4846 4.4846 5.8489 5.8489 5.8489 5.8489 7.0957 7.0957 7.0957 7.0957 7.2940 7.2940 7.2940 7.2940 8.7176 8.7176 8.7176 8.7176 9.6322 9.6322 9.6322 9.6322 9.8290 9.8290 9.8290 9.8290 10.3165 10.3165 10.3165 10.3165 k =-0.4286 0.1256 0.3335 ( 6998 PWs) bands (ev): -5.9331 -5.9331 -5.9331 -5.9331 2.3852 2.3852 2.3852 2.3852 3.6727 3.6727 3.6727 3.6727 4.3671 4.3671 4.3671 4.3671 4.4821 4.4821 4.4821 4.4821 5.8256 5.8256 5.8256 5.8256 7.0782 7.0782 7.0782 7.0782 7.3054 7.3054 7.3054 7.3054 8.7200 8.7200 8.7200 8.7200 9.6280 9.6280 9.6280 9.6280 9.8378 9.8378 9.8378 9.8378 10.3099 10.3099 10.3099 10.3099 k =-0.4464 0.1308 0.3335 ( 7014 PWs) bands (ev): -5.9325 -5.9325 -5.9325 -5.9325 2.3856 2.3856 2.3856 2.3856 3.6695 3.6695 3.6695 3.6695 4.3798 4.3798 4.3798 4.3798 4.4802 4.4802 4.4802 4.4802 5.8069 5.8069 5.8069 5.8069 7.0645 7.0645 7.0645 7.0645 7.3144 7.3144 7.3144 7.3144 8.7217 8.7217 8.7217 8.7217 9.6245 9.6245 9.6245 9.6245 9.8451 9.8451 9.8451 9.8451 10.3043 10.3043 10.3043 10.3043 k =-0.4643 0.1360 0.3335 ( 7014 PWs) bands (ev): -5.9320 -5.9320 -5.9320 -5.9320 2.3859 2.3859 2.3859 2.3859 3.6672 3.6672 3.6672 3.6672 4.3891 4.3891 4.3891 4.3891 4.4789 4.4789 4.4789 4.4789 5.7931 5.7931 5.7931 5.7931 7.0546 7.0546 7.0546 7.0546 7.3210 7.3210 7.3210 7.3210 8.7229 8.7229 8.7229 8.7229 9.6218 9.6218 9.6218 9.6218 9.8505 9.8505 9.8505 9.8505 10.3001 10.3001 10.3001 10.3001 k =-0.4821 0.1413 0.3335 ( 7022 PWs) bands (ev): -5.9317 -5.9317 -5.9317 -5.9317 2.3861 2.3861 2.3861 2.3861 3.6658 3.6658 3.6658 3.6658 4.3948 4.3948 4.3948 4.3948 4.4781 4.4781 4.4781 4.4781 5.7847 5.7847 5.7847 5.7847 7.0486 7.0486 7.0486 7.0486 7.3250 7.3250 7.3250 7.3250 8.7235 8.7235 8.7235 8.7235 9.6202 9.6202 9.6202 9.6202 9.8539 9.8539 9.8539 9.8539 10.2974 10.2974 10.2974 10.2974 k =-0.5000 0.1465 0.3335 ( 7020 PWs) bands (ev): -5.9316 -5.9316 -5.9316 -5.9316 2.3862 2.3862 2.3862 2.3862 3.6653 3.6653 3.6653 3.6653 4.3967 4.3967 4.3967 4.3967 4.4779 4.4779 4.4779 4.4779 5.7818 5.7818 5.7818 5.7818 7.0466 7.0466 7.0466 7.0466 7.3264 7.3264 7.3264 7.3264 8.7237 8.7237 8.7237 8.7237 9.6197 9.6197 9.6197 9.6197 9.8550 9.8550 9.8550 9.8550 10.2965 10.2965 10.2965 10.2965 Writing output data file Zr3AlN.save init_run : 0.31s CPU 0.44s WALL ( 1 calls) electrons : 493.07s CPU 497.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 493.06s CPU 497.60s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.14s WALL ( 358 calls) cegterg : 436.81s CPU 440.42s WALL ( 872 calls) Called by sum_band: Called by *egterg: h_psi : 327.94s CPU 330.69s WALL ( 15453 calls) s_psi : 16.46s CPU 16.40s WALL ( 15453 calls) g_psi : 0.71s CPU 0.71s WALL ( 14223 calls) cdiaghg : 93.66s CPU 95.20s WALL ( 14581 calls) cegterg:over : 16.35s CPU 16.38s WALL ( 14223 calls) cegterg:upda : 16.20s CPU 15.99s WALL ( 14223 calls) cegterg:last : 7.75s CPU 7.74s WALL ( 2362 calls) cdiaghg:chol : 5.54s CPU 5.56s WALL ( 14581 calls) cdiaghg:inve : 3.48s CPU 3.60s WALL ( 14581 calls) cdiaghg:para : 5.51s CPU 5.47s WALL ( 29162 calls) Called by h_psi: h_psi:vloc : 293.14s CPU 295.80s WALL ( 15453 calls) h_psi:vnl : 34.00s CPU 34.12s WALL ( 15453 calls) add_vuspsi : 16.00s CPU 16.24s WALL ( 15453 calls) General routines calbec : 17.94s CPU 17.83s WALL ( 15453 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 271.26s CPU 273.59s WALL ( 1492152 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.36s WALL ( 716 calls) Parallel routines fft_scatter : 57.41s CPU 57.83s WALL ( 1492175 calls) PWSCF : 8m35.00s CPU 8m54.93s WALL This run was terminated on: 19:43: 7 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=