Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:55:45 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: ./BaxMgGex2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 113 69 19 2963 1411 214 Max 114 70 20 2966 1427 216 Sum 4097 2511 715 106715 51065 7743 bravais-lattice index = 14 lattice parameter (alat) = 12.3913 a.u. unit-cell volume = 833.7391 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.391283 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.746389 celldm(5)= -0.746389 celldm(6)= 0.492777 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.492777 0.870156 0.000000 ) a(3) = ( -0.746389 -0.435078 0.503599 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.566309 0.992854 ) b(2) = ( 0.000000 1.149220 0.992854 ) b(3) = ( 0.000000 0.000000 1.985709 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) Mg 10.00 24.30500 Mg( 1.00) 4 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [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= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0000000 0.0000000 0.0206845), wk = 0.0032051 k( 3) = ( 0.0000000 0.0000000 0.0413689), wk = 0.0032051 k( 4) = ( 0.0000000 0.0000000 0.0620534), wk = 0.0032051 k( 5) = ( 0.0000000 0.0000000 0.0827379), wk = 0.0032051 k( 6) = ( 0.0000000 0.0000000 0.1034223), wk = 0.0032051 k( 7) = ( 0.0000000 0.0000000 0.1241068), wk = 0.0032051 k( 8) = ( 0.0000000 0.0000000 0.1447913), wk = 0.0032051 k( 9) = ( 0.0000000 0.0000000 0.1654757), wk = 0.0032051 k( 10) = ( 0.0000000 0.0000000 0.1861602), wk = 0.0032051 k( 11) = ( 0.0000000 0.0000000 0.2068447), wk = 0.0032051 k( 12) = ( 0.0000000 0.0000000 0.2275291), wk = 0.0032051 k( 13) = ( 0.0000000 0.0000000 0.2482136), wk = 0.0032051 k( 14) = ( 0.0000000 0.0000000 0.2688981), wk = 0.0032051 k( 15) = ( 0.0000000 0.0000000 0.2895825), wk = 0.0032051 k( 16) = ( 0.0000000 0.0000000 0.3102670), wk = 0.0032051 k( 17) = ( 0.0000000 0.0000000 0.3309515), wk = 0.0032051 k( 18) = ( 0.0000000 0.0000000 0.3516359), wk = 0.0032051 k( 19) = ( 0.0000000 0.0000000 0.3723204), wk = 0.0032051 k( 20) = ( 0.0000000 0.0000000 0.3930049), wk = 0.0032051 k( 21) = ( 0.0000000 0.0000000 0.4136893), wk = 0.0032051 k( 22) = ( 0.0000000 0.0000000 0.4343738), wk = 0.0032051 k( 23) = ( 0.0000000 0.0000000 0.4550583), wk = 0.0032051 k( 24) = ( 0.0000000 0.0000000 0.4757427), wk = 0.0032051 k( 25) = ( 0.0000000 0.0000000 0.4964272), wk = 0.0032051 k( 26) = ( 0.0000000 0.0000000 0.5171117), wk = 0.0032051 k( 27) = ( 0.0000000 0.0000000 0.5377961), wk = 0.0032051 k( 28) = ( 0.0000000 0.0000000 0.5584806), wk = 0.0032051 k( 29) = ( 0.0000000 0.0000000 0.5791651), wk = 0.0032051 k( 30) = ( 0.0000000 0.0000000 0.5998495), wk = 0.0032051 k( 31) = ( 0.0000000 0.0000000 0.6205340), wk = 0.0032051 k( 32) = ( 0.0000000 0.0000000 0.6412185), wk = 0.0032051 k( 33) = ( 0.0000000 0.0000000 0.6619029), wk = 0.0032051 k( 34) = ( 0.0000000 0.0000000 0.6825874), wk = 0.0032051 k( 35) = ( 0.0000000 0.0000000 0.7032719), wk = 0.0032051 k( 36) = ( 0.0000000 0.0000000 0.7239563), wk = 0.0032051 k( 37) = ( 0.0000000 0.0000000 0.7446408), wk = 0.0032051 k( 38) = ( 0.0000000 0.0000000 0.7653253), wk = 0.0032051 k( 39) = ( 0.0000000 0.0000000 0.7860097), wk = 0.0032051 k( 40) = ( 0.0000000 0.0000000 0.8066942), wk = 0.0032051 k( 41) = ( 0.0000000 0.0000000 0.8273787), wk = 0.0032051 k( 42) = ( 0.0000000 0.0000000 0.8480631), wk = 0.0032051 k( 43) = ( 0.0000000 0.0000000 0.8687476), wk = 0.0032051 k( 44) = ( 0.0000000 0.0000000 0.8894321), wk = 0.0032051 k( 45) = ( 0.0000000 0.0000000 0.9101165), wk = 0.0032051 k( 46) = ( 0.0000000 0.0000000 0.9308010), wk = 0.0032051 k( 47) = ( 0.0000000 0.0000000 0.9514855), wk = 0.0032051 k( 48) = ( 0.0000000 0.0000000 0.9721699), wk = 0.0032051 k( 49) = ( 0.0000000 0.0000000 0.9928544), wk = 0.0032051 k( 50) = ( 0.0000000 0.0000000 0.9928544), wk = 0.0032051 k( 51) = ( -0.0094385 0.0161920 0.9928544), wk = 0.0032051 k( 52) = ( -0.0188769 0.0323839 0.9928544), wk = 0.0032051 k( 53) = ( -0.0283154 0.0485759 0.9928544), wk = 0.0032051 k( 54) = ( -0.0377539 0.0647679 0.9928544), wk = 0.0032051 k( 55) = ( -0.0471923 0.0809598 0.9928544), wk = 0.0032051 k( 56) = ( -0.0566308 0.0971518 0.9928544), wk = 0.0032051 k( 57) = ( -0.0660693 0.1133437 0.9928544), wk = 0.0032051 k( 58) = ( -0.0755077 0.1295357 0.9928544), wk = 0.0032051 k( 59) = ( -0.0849462 0.1457277 0.9928544), wk = 0.0032051 k( 60) = ( -0.0849462 0.1457277 0.9928544), wk = 0.0032051 k( 61) = ( -0.0923579 0.1584426 0.9781369), wk = 0.0032051 k( 62) = ( -0.0997695 0.1711575 0.9634195), wk = 0.0032051 k( 63) = ( -0.1071812 0.1838725 0.9487021), wk = 0.0032051 k( 64) = ( -0.1145929 0.1965874 0.9339847), wk = 0.0032051 k( 65) = ( -0.1220046 0.2093024 0.9192672), wk = 0.0032051 k( 66) = ( -0.1294163 0.2220173 0.9045498), wk = 0.0032051 k( 67) = ( -0.1368279 0.2347322 0.8898324), wk = 0.0032051 k( 68) = ( -0.1442396 0.2474472 0.8751150), wk = 0.0032051 k( 69) = ( -0.1516513 0.2601621 0.8603975), wk = 0.0032051 k( 70) = ( -0.1590630 0.2728771 0.8456801), wk = 0.0032051 k( 71) = ( -0.1664746 0.2855920 0.8309627), wk = 0.0032051 k( 72) = ( -0.1738863 0.2983070 0.8162452), wk = 0.0032051 k( 73) = ( -0.1812980 0.3110219 0.8015278), wk = 0.0032051 k( 74) = ( -0.1887097 0.3237369 0.7868104), wk = 0.0032051 k( 75) = ( -0.1961213 0.3364518 0.7720930), wk = 0.0032051 k( 76) = ( -0.2035330 0.3491667 0.7573755), wk = 0.0032051 k( 77) = ( -0.2109447 0.3618817 0.7426581), wk = 0.0032051 k( 78) = ( -0.2183564 0.3745966 0.7279407), wk = 0.0032051 k( 79) = ( -0.2257680 0.3873116 0.7132232), wk = 0.0032051 k( 80) = ( -0.2331797 0.4000265 0.6985058), wk = 0.0032051 k( 81) = ( -0.2405914 0.4127414 0.6837884), wk = 0.0032051 k( 82) = ( -0.2480031 0.4254564 0.6690710), wk = 0.0032051 k( 83) = ( -0.2554147 0.4381713 0.6543535), wk = 0.0032051 k( 84) = ( -0.2628264 0.4508863 0.6396361), wk = 0.0032051 k( 85) = ( -0.2702381 0.4636012 0.6249187), wk = 0.0032051 k( 86) = ( -0.2776497 0.4763162 0.6102013), wk = 0.0032051 k( 87) = ( -0.2850614 0.4890311 0.5954838), wk = 0.0032051 k( 88) = ( -0.2924731 0.5017460 0.5807664), wk = 0.0032051 k( 89) = ( -0.2924731 0.5017460 0.5807664), wk = 0.0032051 k( 90) = ( -0.2851613 0.4892024 0.5662472), wk = 0.0032051 k( 91) = ( -0.2778494 0.4766587 0.5517281), wk = 0.0032051 k( 92) = ( -0.2705376 0.4641151 0.5372089), wk = 0.0032051 k( 93) = ( -0.2632258 0.4515714 0.5226898), wk = 0.0032051 k( 94) = ( -0.2559140 0.4390278 0.5081706), wk = 0.0032051 k( 95) = ( -0.2486021 0.4264841 0.4936514), wk = 0.0032051 k( 96) = ( -0.2412903 0.4139405 0.4791323), wk = 0.0032051 k( 97) = ( -0.2339785 0.4013968 0.4646131), wk = 0.0032051 k( 98) = ( -0.2266666 0.3888532 0.4500940), wk = 0.0032051 k( 99) = ( -0.2193548 0.3763095 0.4355748), wk = 0.0032051 k( 100) = ( -0.2120430 0.3637659 0.4210556), wk = 0.0032051 k( 101) = ( -0.2047312 0.3512222 0.4065365), wk = 0.0032051 k( 102) = ( -0.1974193 0.3386786 0.3920173), wk = 0.0032051 k( 103) = ( -0.1901075 0.3261349 0.3774981), wk = 0.0032051 k( 104) = ( -0.1827957 0.3135913 0.3629790), wk = 0.0032051 k( 105) = ( -0.1754839 0.3010476 0.3484598), wk = 0.0032051 k( 106) = ( -0.1681720 0.2885040 0.3339407), wk = 0.0032051 k( 107) = ( -0.1608602 0.2759603 0.3194215), wk = 0.0032051 k( 108) = ( -0.1535484 0.2634167 0.3049024), wk = 0.0032051 k( 109) = ( -0.1462365 0.2508730 0.2903832), wk = 0.0032051 k( 110) = ( -0.1389247 0.2383294 0.2758640), wk = 0.0032051 k( 111) = ( -0.1316129 0.2257857 0.2613449), wk = 0.0032051 k( 112) = ( -0.1243011 0.2132421 0.2468257), wk = 0.0032051 k( 113) = ( -0.1169892 0.2006984 0.2323066), wk = 0.0032051 k( 114) = ( -0.1096774 0.1881548 0.2177874), wk = 0.0032051 k( 115) = ( -0.1023656 0.1756111 0.2032682), wk = 0.0032051 k( 116) = ( -0.0950538 0.1630675 0.1887491), wk = 0.0032051 k( 117) = ( -0.0877419 0.1505238 0.1742299), wk = 0.0032051 k( 118) = ( -0.0804301 0.1379802 0.1597108), wk = 0.0032051 k( 119) = ( -0.0731183 0.1254365 0.1451916), wk = 0.0032051 k( 120) = ( -0.0658065 0.1128929 0.1306724), wk = 0.0032051 k( 121) = ( -0.0584946 0.1003492 0.1161533), wk = 0.0032051 k( 122) = ( -0.0511828 0.0878056 0.1016341), wk = 0.0032051 k( 123) = ( -0.0438710 0.0752619 0.0871149), wk = 0.0032051 k( 124) = ( -0.0365591 0.0627183 0.0725958), wk = 0.0032051 k( 125) = ( -0.0292473 0.0501746 0.0580766), wk = 0.0032051 k( 126) = ( -0.0219355 0.0376309 0.0435575), wk = 0.0032051 k( 127) = ( -0.0146237 0.0250873 0.0290383), wk = 0.0032051 k( 128) = ( -0.0073118 0.0125437 0.0145192), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 131) = ( 0.0178571 0.0104091 0.0000000), wk = 0.0032051 k( 132) = ( 0.0357143 0.0208182 0.0000000), wk = 0.0032051 k( 133) = ( 0.0535714 0.0312274 0.0000000), wk = 0.0032051 k( 134) = ( 0.0714286 0.0416365 0.0000000), wk = 0.0032051 k( 135) = ( 0.0892857 0.0520456 0.0000000), wk = 0.0032051 k( 136) = ( 0.1071429 0.0624547 0.0000000), wk = 0.0032051 k( 137) = ( 0.1250000 0.0728638 0.0000000), wk = 0.0032051 k( 138) = ( 0.1428571 0.0832729 0.0000000), wk = 0.0032051 k( 139) = ( 0.1607143 0.0936821 0.0000000), wk = 0.0032051 k( 140) = ( 0.1785714 0.1040912 0.0000000), wk = 0.0032051 k( 141) = ( 0.1964286 0.1145003 0.0000000), wk = 0.0032051 k( 142) = ( 0.2142857 0.1249094 0.0000000), wk = 0.0032051 k( 143) = ( 0.2321429 0.1353185 0.0000000), wk = 0.0032051 k( 144) = ( 0.2500000 0.1457277 0.0000000), wk = 0.0032051 k( 145) = ( 0.2678571 0.1561368 0.0000000), wk = 0.0032051 k( 146) = ( 0.2857143 0.1665459 0.0000000), wk = 0.0032051 k( 147) = ( 0.3035714 0.1769550 0.0000000), wk = 0.0032051 k( 148) = ( 0.3214286 0.1873641 0.0000000), wk = 0.0032051 k( 149) = ( 0.3392857 0.1977732 0.0000000), wk = 0.0032051 k( 150) = ( 0.3571429 0.2081824 0.0000000), wk = 0.0032051 k( 151) = ( 0.3750000 0.2185915 0.0000000), wk = 0.0032051 k( 152) = ( 0.3928571 0.2290006 0.0000000), wk = 0.0032051 k( 153) = ( 0.4107143 0.2394097 0.0000000), wk = 0.0032051 k( 154) = ( 0.4285714 0.2498188 0.0000000), wk = 0.0032051 k( 155) = ( 0.4464286 0.2602280 0.0000000), wk = 0.0032051 k( 156) = ( 0.4642857 0.2706371 0.0000000), wk = 0.0032051 k( 157) = ( 0.4821429 0.2810462 0.0000000), wk = 0.0032051 k( 158) = ( 0.5000000 0.2914553 0.0000000), wk = 0.0032051 k( 159) = ( 0.5000000 0.2914553 0.0000000), wk = 0.0032051 k( 160) = ( 0.4925883 0.3041703 0.0147174), wk = 0.0032051 k( 161) = ( 0.4851766 0.3168852 0.0294349), wk = 0.0032051 k( 162) = ( 0.4777650 0.3296001 0.0441523), wk = 0.0032051 k( 163) = ( 0.4703533 0.3423151 0.0588697), wk = 0.0032051 k( 164) = ( 0.4629416 0.3550300 0.0735872), wk = 0.0032051 k( 165) = ( 0.4555300 0.3677450 0.0883046), wk = 0.0032051 k( 166) = ( 0.4481183 0.3804599 0.1030220), wk = 0.0032051 k( 167) = ( 0.4407066 0.3931749 0.1177394), wk = 0.0032051 k( 168) = ( 0.4332949 0.4058898 0.1324569), wk = 0.0032051 k( 169) = ( 0.4258832 0.4186047 0.1471743), wk = 0.0032051 k( 170) = ( 0.4184716 0.4313197 0.1618917), wk = 0.0032051 k( 171) = ( 0.4110599 0.4440346 0.1766091), wk = 0.0032051 k( 172) = ( 0.4036482 0.4567496 0.1913266), wk = 0.0032051 k( 173) = ( 0.3962366 0.4694645 0.2060440), wk = 0.0032051 k( 174) = ( 0.3888249 0.4821795 0.2207614), wk = 0.0032051 k( 175) = ( 0.3814132 0.4948944 0.2354788), wk = 0.0032051 k( 176) = ( 0.3740015 0.5076093 0.2501963), wk = 0.0032051 k( 177) = ( 0.3665898 0.5203243 0.2649137), wk = 0.0032051 k( 178) = ( 0.3591782 0.5330392 0.2796311), wk = 0.0032051 k( 179) = ( 0.3517665 0.5457542 0.2943486), wk = 0.0032051 k( 180) = ( 0.3443548 0.5584691 0.3090660), wk = 0.0032051 k( 181) = ( 0.3369432 0.5711840 0.3237834), wk = 0.0032051 k( 182) = ( 0.3295315 0.5838990 0.3385009), wk = 0.0032051 k( 183) = ( 0.3221198 0.5966139 0.3532183), wk = 0.0032051 k( 184) = ( 0.3147081 0.6093289 0.3679357), wk = 0.0032051 k( 185) = ( 0.3072964 0.6220438 0.3826531), wk = 0.0032051 k( 186) = ( 0.2998848 0.6347588 0.3973706), wk = 0.0032051 k( 187) = ( 0.2924731 0.6474737 0.4120880), wk = 0.0032051 k( 188) = ( 0.2924731 0.6474737 0.4120880), wk = 0.0032051 k( 189) = ( 0.2729749 0.6426161 0.4177106), wk = 0.0032051 k( 190) = ( 0.2534767 0.6377585 0.4233332), wk = 0.0032051 k( 191) = ( 0.2339785 0.6329009 0.4289558), wk = 0.0032051 k( 192) = ( 0.2144803 0.6280433 0.4345784), wk = 0.0032051 k( 193) = ( 0.1949821 0.6231858 0.4402011), wk = 0.0032051 k( 194) = ( 0.1754839 0.6183282 0.4458237), wk = 0.0032051 k( 195) = ( 0.1559857 0.6134706 0.4514463), wk = 0.0032051 k( 196) = ( 0.1364875 0.6086130 0.4570689), wk = 0.0032051 k( 197) = ( 0.1169892 0.6037554 0.4626915), wk = 0.0032051 k( 198) = ( 0.0974910 0.5988978 0.4683141), wk = 0.0032051 k( 199) = ( 0.0779928 0.5940402 0.4739367), wk = 0.0032051 k( 200) = ( 0.0584946 0.5891826 0.4795594), wk = 0.0032051 k( 201) = ( 0.0389964 0.5843250 0.4851820), wk = 0.0032051 k( 202) = ( 0.0194982 0.5794675 0.4908046), wk = 0.0032051 k( 203) = ( 0.0000000 0.5746099 0.4964272), wk = 0.0032051 k( 204) = ( 0.0000000 0.5746099 0.4964272), wk = 0.0032051 k( 205) = ( 0.0073529 0.5619957 0.5110280), wk = 0.0032051 k( 206) = ( 0.0147059 0.5493815 0.5256288), wk = 0.0032051 k( 207) = ( 0.0220588 0.5367673 0.5402296), wk = 0.0032051 k( 208) = ( 0.0294118 0.5241531 0.5548304), wk = 0.0032051 k( 209) = ( 0.0367647 0.5115390 0.5694312), wk = 0.0032051 k( 210) = ( 0.0441177 0.4989248 0.5840320), wk = 0.0032051 k( 211) = ( 0.0514706 0.4863106 0.5986328), wk = 0.0032051 k( 212) = ( 0.0588235 0.4736964 0.6132336), wk = 0.0032051 k( 213) = ( 0.0661765 0.4610822 0.6278344), wk = 0.0032051 k( 214) = ( 0.0735294 0.4484680 0.6424352), wk = 0.0032051 k( 215) = ( 0.0808824 0.4358539 0.6570360), wk = 0.0032051 k( 216) = ( 0.0882353 0.4232397 0.6716368), wk = 0.0032051 k( 217) = ( 0.0955882 0.4106255 0.6862376), wk = 0.0032051 k( 218) = ( 0.1029412 0.3980113 0.7008384), wk = 0.0032051 k( 219) = ( 0.1102941 0.3853971 0.7154392), wk = 0.0032051 k( 220) = ( 0.1176471 0.3727829 0.7300400), wk = 0.0032051 k( 221) = ( 0.1250000 0.3601688 0.7446408), wk = 0.0032051 k( 222) = ( 0.1323529 0.3475546 0.7592416), wk = 0.0032051 k( 223) = ( 0.1397059 0.3349404 0.7738424), wk = 0.0032051 k( 224) = ( 0.1470588 0.3223262 0.7884432), wk = 0.0032051 k( 225) = ( 0.1544118 0.3097120 0.8030440), wk = 0.0032051 k( 226) = ( 0.1617647 0.2970978 0.8176448), wk = 0.0032051 k( 227) = ( 0.1691177 0.2844837 0.8322456), wk = 0.0032051 k( 228) = ( 0.1764706 0.2718695 0.8468464), wk = 0.0032051 k( 229) = ( 0.1838235 0.2592553 0.8614472), wk = 0.0032051 k( 230) = ( 0.1911765 0.2466411 0.8760480), wk = 0.0032051 k( 231) = ( 0.1985294 0.2340269 0.8906488), wk = 0.0032051 k( 232) = ( 0.2058823 0.2214128 0.9052496), wk = 0.0032051 k( 233) = ( 0.2132353 0.2087986 0.9198504), wk = 0.0032051 k( 234) = ( 0.2205882 0.1961844 0.9344512), wk = 0.0032051 k( 235) = ( 0.2279412 0.1835702 0.9490520), wk = 0.0032051 k( 236) = ( 0.2352941 0.1709560 0.9636528), wk = 0.0032051 k( 237) = ( 0.2426471 0.1583418 0.9782536), wk = 0.0032051 k( 238) = ( 0.2500000 0.1457277 0.9928544), wk = 0.0032051 k( 239) = ( 0.2500000 0.1457277 0.9928544), wk = 0.0032051 k( 240) = ( 0.2647059 0.1542999 0.9829321), wk = 0.0032051 k( 241) = ( 0.2794118 0.1628721 0.9730098), wk = 0.0032051 k( 242) = ( 0.2941177 0.1714443 0.9630876), wk = 0.0032051 k( 243) = ( 0.3088235 0.1800165 0.9531653), wk = 0.0032051 k( 244) = ( 0.3235294 0.1885887 0.9432431), wk = 0.0032051 k( 245) = ( 0.3382353 0.1971609 0.9333208), wk = 0.0032051 k( 246) = ( 0.3529412 0.2057332 0.9233986), wk = 0.0032051 k( 247) = ( 0.3676471 0.2143054 0.9134763), wk = 0.0032051 k( 248) = ( 0.3823529 0.2228776 0.9035540), wk = 0.0032051 k( 249) = ( 0.3970588 0.2314498 0.8936318), wk = 0.0032051 k( 250) = ( 0.4117647 0.2400220 0.8837095), wk = 0.0032051 k( 251) = ( 0.4264706 0.2485942 0.8737873), wk = 0.0032051 k( 252) = ( 0.4411765 0.2571665 0.8638650), wk = 0.0032051 k( 253) = ( 0.4558823 0.2657387 0.8539427), wk = 0.0032051 k( 254) = ( 0.4705882 0.2743109 0.8440205), wk = 0.0032051 k( 255) = ( 0.4852941 0.2828831 0.8340982), wk = 0.0032051 k( 256) = ( 0.5000000 0.2914553 0.8241760), wk = 0.0032051 k( 257) = ( 0.5000000 0.2914553 0.8241760), wk = 0.0032051 k( 258) = ( 0.5000000 0.2914553 0.8035716), wk = 0.0032051 k( 259) = ( 0.5000000 0.2914553 0.7829672), wk = 0.0032051 k( 260) = ( 0.5000000 0.2914553 0.7623628), wk = 0.0032051 k( 261) = ( 0.5000000 0.2914553 0.7417584), wk = 0.0032051 k( 262) = ( 0.5000000 0.2914553 0.7211540), wk = 0.0032051 k( 263) = ( 0.5000000 0.2914553 0.7005496), wk = 0.0032051 k( 264) = ( 0.5000000 0.2914553 0.6799452), wk = 0.0032051 k( 265) = ( 0.5000000 0.2914553 0.6593408), wk = 0.0032051 k( 266) = ( 0.5000000 0.2914553 0.6387364), wk = 0.0032051 k( 267) = ( 0.5000000 0.2914553 0.6181320), wk = 0.0032051 k( 268) = ( 0.5000000 0.2914553 0.5975276), wk = 0.0032051 k( 269) = ( 0.5000000 0.2914553 0.5769232), wk = 0.0032051 k( 270) = ( 0.5000000 0.2914553 0.5563188), wk = 0.0032051 k( 271) = ( 0.5000000 0.2914553 0.5357144), wk = 0.0032051 k( 272) = ( 0.5000000 0.2914553 0.5151100), wk = 0.0032051 k( 273) = ( 0.5000000 0.2914553 0.4945056), wk = 0.0032051 k( 274) = ( 0.5000000 0.2914553 0.4739012), wk = 0.0032051 k( 275) = ( 0.5000000 0.2914553 0.4532968), wk = 0.0032051 k( 276) = ( 0.5000000 0.2914553 0.4326924), wk = 0.0032051 k( 277) = ( 0.5000000 0.2914553 0.4120880), wk = 0.0032051 k( 278) = ( 0.5000000 0.2914553 0.3914836), wk = 0.0032051 k( 279) = ( 0.5000000 0.2914553 0.3708792), wk = 0.0032051 k( 280) = ( 0.5000000 0.2914553 0.3502748), wk = 0.0032051 k( 281) = ( 0.5000000 0.2914553 0.3296704), wk = 0.0032051 k( 282) = ( 0.5000000 0.2914553 0.3090660), wk = 0.0032051 k( 283) = ( 0.5000000 0.2914553 0.2884616), wk = 0.0032051 k( 284) = ( 0.5000000 0.2914553 0.2678572), wk = 0.0032051 k( 285) = ( 0.5000000 0.2914553 0.2472528), wk = 0.0032051 k( 286) = ( 0.5000000 0.2914553 0.2266484), wk = 0.0032051 k( 287) = ( 0.5000000 0.2914553 0.2060440), wk = 0.0032051 k( 288) = ( 0.5000000 0.2914553 0.1854396), wk = 0.0032051 k( 289) = ( 0.5000000 0.2914553 0.1648352), wk = 0.0032051 k( 290) = ( 0.5000000 0.2914553 0.1442308), wk = 0.0032051 k( 291) = ( 0.5000000 0.2914553 0.1236264), wk = 0.0032051 k( 292) = ( 0.5000000 0.2914553 0.1030220), wk = 0.0032051 k( 293) = ( 0.5000000 0.2914553 0.0824176), wk = 0.0032051 k( 294) = ( 0.5000000 0.2914553 0.0618132), wk = 0.0032051 k( 295) = ( 0.5000000 0.2914553 0.0412088), wk = 0.0032051 k( 296) = ( 0.5000000 0.2914553 0.0206044), wk = 0.0032051 k( 297) = ( 0.5000000 0.2914553 0.0000000), wk = 0.0032051 k( 298) = ( 0.0000000 0.0000000 0.9928544), wk = 0.0032051 k( 299) = ( 0.0178571 0.0104091 0.9928544), wk = 0.0032051 k( 300) = ( 0.0357143 0.0208182 0.9928544), wk = 0.0032051 k( 301) = ( 0.0535714 0.0312274 0.9928544), wk = 0.0032051 k( 302) = ( 0.0714286 0.0416365 0.9928544), wk = 0.0032051 k( 303) = ( 0.0892857 0.0520456 0.9928544), wk = 0.0032051 k( 304) = ( 0.1071429 0.0624547 0.9928544), wk = 0.0032051 k( 305) = ( 0.1250000 0.0728638 0.9928544), wk = 0.0032051 k( 306) = ( 0.1428571 0.0832729 0.9928544), wk = 0.0032051 k( 307) = ( 0.1607143 0.0936821 0.9928544), wk = 0.0032051 k( 308) = ( 0.1785714 0.1040912 0.9928544), wk = 0.0032051 k( 309) = ( 0.1964286 0.1145003 0.9928544), wk = 0.0032051 k( 310) = ( 0.2142857 0.1249094 0.9928544), wk = 0.0032051 k( 311) = ( 0.2321429 0.1353185 0.9928544), wk = 0.0032051 k( 312) = ( 0.2500000 0.1457277 0.9928544), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0000000 0.0000000 0.0104167), wk = 0.0032051 k( 3) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0032051 k( 4) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0032051 k( 5) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0032051 k( 6) = ( 0.0000000 0.0000000 0.0520833), wk = 0.0032051 k( 7) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0032051 k( 8) = ( 0.0000000 0.0000000 0.0729167), wk = 0.0032051 k( 9) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0032051 k( 10) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0032051 k( 11) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0032051 k( 12) = ( 0.0000000 0.0000000 0.1145833), wk = 0.0032051 k( 13) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032051 k( 14) = ( 0.0000000 0.0000000 0.1354167), wk = 0.0032051 k( 15) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0032051 k( 16) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0032051 k( 17) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032051 k( 18) = ( 0.0000000 0.0000000 0.1770833), wk = 0.0032051 k( 19) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0032051 k( 20) = ( 0.0000000 0.0000000 0.1979167), wk = 0.0032051 k( 21) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0032051 k( 22) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0032051 k( 23) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0032051 k( 24) = ( 0.0000000 0.0000000 0.2395833), wk = 0.0032051 k( 25) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032051 k( 26) = ( 0.0000000 0.0000000 0.2604167), wk = 0.0032051 k( 27) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0032051 k( 28) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0032051 k( 29) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0032051 k( 30) = ( 0.0000000 0.0000000 0.3020833), wk = 0.0032051 k( 31) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0032051 k( 32) = ( 0.0000000 0.0000000 0.3229167), wk = 0.0032051 k( 33) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032051 k( 34) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0032051 k( 35) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0032051 k( 36) = ( 0.0000000 0.0000000 0.3645833), wk = 0.0032051 k( 37) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032051 k( 38) = ( 0.0000000 0.0000000 0.3854167), wk = 0.0032051 k( 39) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0032051 k( 40) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0032051 k( 41) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0032051 k( 42) = ( 0.0000000 0.0000000 0.4270833), wk = 0.0032051 k( 43) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0032051 k( 44) = ( 0.0000000 0.0000000 0.4479167), wk = 0.0032051 k( 45) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0032051 k( 46) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0032051 k( 47) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0032051 k( 48) = ( 0.0000000 0.0000000 0.4895833), wk = 0.0032051 k( 49) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 50) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 51) = ( -0.0094385 0.0094385 0.5000000), wk = 0.0032051 k( 52) = ( -0.0188769 0.0188769 0.5000000), wk = 0.0032051 k( 53) = ( -0.0283154 0.0283154 0.5000000), wk = 0.0032051 k( 54) = ( -0.0377539 0.0377539 0.5000000), wk = 0.0032051 k( 55) = ( -0.0471923 0.0471923 0.5000000), wk = 0.0032051 k( 56) = ( -0.0566308 0.0566308 0.5000000), wk = 0.0032051 k( 57) = ( -0.0660693 0.0660693 0.5000000), wk = 0.0032051 k( 58) = ( -0.0755077 0.0755077 0.5000000), wk = 0.0032051 k( 59) = ( -0.0849462 0.0849462 0.5000000), wk = 0.0032051 k( 60) = ( -0.0849462 0.0849462 0.5000000), wk = 0.0032051 k( 61) = ( -0.0923579 0.0923579 0.4925883), wk = 0.0032051 k( 62) = ( -0.0997695 0.0997696 0.4851766), wk = 0.0032051 k( 63) = ( -0.1071812 0.1071812 0.4777650), wk = 0.0032051 k( 64) = ( -0.1145929 0.1145929 0.4703533), wk = 0.0032051 k( 65) = ( -0.1220046 0.1220046 0.4629416), wk = 0.0032051 k( 66) = ( -0.1294163 0.1294163 0.4555300), wk = 0.0032051 k( 67) = ( -0.1368279 0.1368279 0.4481183), wk = 0.0032051 k( 68) = ( -0.1442396 0.1442396 0.4407066), wk = 0.0032051 k( 69) = ( -0.1516513 0.1516513 0.4332949), wk = 0.0032051 k( 70) = ( -0.1590630 0.1590630 0.4258832), wk = 0.0032051 k( 71) = ( -0.1664746 0.1664746 0.4184716), wk = 0.0032051 k( 72) = ( -0.1738863 0.1738863 0.4110599), wk = 0.0032051 k( 73) = ( -0.1812980 0.1812980 0.4036482), wk = 0.0032051 k( 74) = ( -0.1887097 0.1887097 0.3962366), wk = 0.0032051 k( 75) = ( -0.1961213 0.1961213 0.3888249), wk = 0.0032051 k( 76) = ( -0.2035330 0.2035330 0.3814132), wk = 0.0032051 k( 77) = ( -0.2109447 0.2109447 0.3740015), wk = 0.0032051 k( 78) = ( -0.2183564 0.2183563 0.3665899), wk = 0.0032051 k( 79) = ( -0.2257680 0.2257680 0.3591782), wk = 0.0032051 k( 80) = ( -0.2331797 0.2331797 0.3517665), wk = 0.0032051 k( 81) = ( -0.2405914 0.2405914 0.3443548), wk = 0.0032051 k( 82) = ( -0.2480031 0.2480031 0.3369432), wk = 0.0032051 k( 83) = ( -0.2554147 0.2554147 0.3295315), wk = 0.0032051 k( 84) = ( -0.2628264 0.2628264 0.3221198), wk = 0.0032051 k( 85) = ( -0.2702381 0.2702381 0.3147081), wk = 0.0032051 k( 86) = ( -0.2776497 0.2776497 0.3072964), wk = 0.0032051 k( 87) = ( -0.2850614 0.2850614 0.2998848), wk = 0.0032051 k( 88) = ( -0.2924731 0.2924731 0.2924731), wk = 0.0032051 k( 89) = ( -0.2924731 0.2924731 0.2924731), wk = 0.0032051 k( 90) = ( -0.2851613 0.2851613 0.2851613), wk = 0.0032051 k( 91) = ( -0.2778494 0.2778494 0.2778494), wk = 0.0032051 k( 92) = ( -0.2705376 0.2705376 0.2705376), wk = 0.0032051 k( 93) = ( -0.2632258 0.2632258 0.2632258), wk = 0.0032051 k( 94) = ( -0.2559140 0.2559140 0.2559140), wk = 0.0032051 k( 95) = ( -0.2486021 0.2486021 0.2486021), wk = 0.0032051 k( 96) = ( -0.2412903 0.2412903 0.2412903), wk = 0.0032051 k( 97) = ( -0.2339785 0.2339785 0.2339785), wk = 0.0032051 k( 98) = ( -0.2266666 0.2266667 0.2266666), wk = 0.0032051 k( 99) = ( -0.2193548 0.2193548 0.2193548), wk = 0.0032051 k( 100) = ( -0.2120430 0.2120430 0.2120430), wk = 0.0032051 k( 101) = ( -0.2047312 0.2047312 0.2047312), wk = 0.0032051 k( 102) = ( -0.1974193 0.1974193 0.1974193), wk = 0.0032051 k( 103) = ( -0.1901075 0.1901075 0.1901075), wk = 0.0032051 k( 104) = ( -0.1827957 0.1827957 0.1827957), wk = 0.0032051 k( 105) = ( -0.1754839 0.1754839 0.1754839), wk = 0.0032051 k( 106) = ( -0.1681720 0.1681720 0.1681720), wk = 0.0032051 k( 107) = ( -0.1608602 0.1608602 0.1608602), wk = 0.0032051 k( 108) = ( -0.1535484 0.1535484 0.1535484), wk = 0.0032051 k( 109) = ( -0.1462365 0.1462366 0.1462365), wk = 0.0032051 k( 110) = ( -0.1389247 0.1389247 0.1389247), wk = 0.0032051 k( 111) = ( -0.1316129 0.1316129 0.1316129), wk = 0.0032051 k( 112) = ( -0.1243011 0.1243011 0.1243011), wk = 0.0032051 k( 113) = ( -0.1169892 0.1169892 0.1169892), wk = 0.0032051 k( 114) = ( -0.1096774 0.1096774 0.1096774), wk = 0.0032051 k( 115) = ( -0.1023656 0.1023656 0.1023656), wk = 0.0032051 k( 116) = ( -0.0950538 0.0950538 0.0950538), wk = 0.0032051 k( 117) = ( -0.0877419 0.0877419 0.0877419), wk = 0.0032051 k( 118) = ( -0.0804301 0.0804301 0.0804301), wk = 0.0032051 k( 119) = ( -0.0731183 0.0731183 0.0731183), wk = 0.0032051 k( 120) = ( -0.0658065 0.0658065 0.0658064), wk = 0.0032051 k( 121) = ( -0.0584946 0.0584946 0.0584946), wk = 0.0032051 k( 122) = ( -0.0511828 0.0511828 0.0511828), wk = 0.0032051 k( 123) = ( -0.0438710 0.0438710 0.0438710), wk = 0.0032051 k( 124) = ( -0.0365591 0.0365591 0.0365591), wk = 0.0032051 k( 125) = ( -0.0292473 0.0292473 0.0292473), wk = 0.0032051 k( 126) = ( -0.0219355 0.0219355 0.0219355), wk = 0.0032051 k( 127) = ( -0.0146237 0.0146237 0.0146237), wk = 0.0032051 k( 128) = ( -0.0073118 0.0073118 0.0073118), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 131) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0032051 k( 132) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0032051 k( 133) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0032051 k( 134) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0032051 k( 135) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0032051 k( 136) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0032051 k( 137) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0032051 k( 138) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0032051 k( 139) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0032051 k( 140) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0032051 k( 141) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0032051 k( 142) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0032051 k( 143) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0032051 k( 144) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032051 k( 145) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0032051 k( 146) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0032051 k( 147) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0032051 k( 148) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0032051 k( 149) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0032051 k( 150) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0032051 k( 151) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0032051 k( 152) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0032051 k( 153) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0032051 k( 154) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0032051 k( 155) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0032051 k( 156) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0032051 k( 157) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0032051 k( 158) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 159) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 160) = ( 0.4925883 0.5074117 -0.4925883), wk = 0.0032051 k( 161) = ( 0.4851766 0.5148234 -0.4851767), wk = 0.0032051 k( 162) = ( 0.4777650 0.5222350 -0.4777650), wk = 0.0032051 k( 163) = ( 0.4703533 0.5296467 -0.4703533), wk = 0.0032051 k( 164) = ( 0.4629416 0.5370584 -0.4629416), wk = 0.0032051 k( 165) = ( 0.4555300 0.5444701 -0.4555300), wk = 0.0032051 k( 166) = ( 0.4481183 0.5518817 -0.4481183), wk = 0.0032051 k( 167) = ( 0.4407066 0.5592934 -0.4407066), wk = 0.0032051 k( 168) = ( 0.4332949 0.5667051 -0.4332949), wk = 0.0032051 k( 169) = ( 0.4258832 0.5741168 -0.4258833), wk = 0.0032051 k( 170) = ( 0.4184716 0.5815284 -0.4184716), wk = 0.0032051 k( 171) = ( 0.4110599 0.5889401 -0.4110599), wk = 0.0032051 k( 172) = ( 0.4036482 0.5963518 -0.4036482), wk = 0.0032051 k( 173) = ( 0.3962366 0.6037634 -0.3962366), wk = 0.0032051 k( 174) = ( 0.3888249 0.6111751 -0.3888249), wk = 0.0032051 k( 175) = ( 0.3814132 0.6185868 -0.3814132), wk = 0.0032051 k( 176) = ( 0.3740015 0.6259985 -0.3740015), wk = 0.0032051 k( 177) = ( 0.3665898 0.6334102 -0.3665899), wk = 0.0032051 k( 178) = ( 0.3591782 0.6408218 -0.3591782), wk = 0.0032051 k( 179) = ( 0.3517665 0.6482335 -0.3517665), wk = 0.0032051 k( 180) = ( 0.3443548 0.6556452 -0.3443548), wk = 0.0032051 k( 181) = ( 0.3369432 0.6630569 -0.3369432), wk = 0.0032051 k( 182) = ( 0.3295315 0.6704685 -0.3295315), wk = 0.0032051 k( 183) = ( 0.3221198 0.6778802 -0.3221198), wk = 0.0032051 k( 184) = ( 0.3147081 0.6852919 -0.3147081), wk = 0.0032051 k( 185) = ( 0.3072964 0.6927035 -0.3072965), wk = 0.0032051 k( 186) = ( 0.2998848 0.7001152 -0.2998848), wk = 0.0032051 k( 187) = ( 0.2924731 0.7075269 -0.2924731), wk = 0.0032051 k( 188) = ( 0.2924731 0.7075269 -0.2924731), wk = 0.0032051 k( 189) = ( 0.2729749 0.6936918 -0.2729749), wk = 0.0032051 k( 190) = ( 0.2534767 0.6798567 -0.2534767), wk = 0.0032051 k( 191) = ( 0.2339785 0.6660215 -0.2339785), wk = 0.0032051 k( 192) = ( 0.2144803 0.6521864 -0.2144803), wk = 0.0032051 k( 193) = ( 0.1949821 0.6383513 -0.1949821), wk = 0.0032051 k( 194) = ( 0.1754839 0.6245161 -0.1754839), wk = 0.0032051 k( 195) = ( 0.1559857 0.6106810 -0.1559857), wk = 0.0032051 k( 196) = ( 0.1364875 0.5968459 -0.1364875), wk = 0.0032051 k( 197) = ( 0.1169892 0.5830108 -0.1169892), wk = 0.0032051 k( 198) = ( 0.0974910 0.5691756 -0.0974910), wk = 0.0032051 k( 199) = ( 0.0779928 0.5553405 -0.0779928), wk = 0.0032051 k( 200) = ( 0.0584946 0.5415054 -0.0584946), wk = 0.0032051 k( 201) = ( 0.0389964 0.5276703 -0.0389964), wk = 0.0032051 k( 202) = ( 0.0194982 0.5138351 -0.0194982), wk = 0.0032051 k( 203) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 204) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 205) = ( 0.0073529 0.4926471 0.0073529), wk = 0.0032051 k( 206) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0032051 k( 207) = ( 0.0220588 0.4779412 0.0220588), wk = 0.0032051 k( 208) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0032051 k( 209) = ( 0.0367647 0.4632353 0.0367647), wk = 0.0032051 k( 210) = ( 0.0441177 0.4558823 0.0441177), wk = 0.0032051 k( 211) = ( 0.0514706 0.4485294 0.0514706), wk = 0.0032051 k( 212) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0032051 k( 213) = ( 0.0661765 0.4338235 0.0661765), wk = 0.0032051 k( 214) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0032051 k( 215) = ( 0.0808824 0.4191177 0.0808823), wk = 0.0032051 k( 216) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0032051 k( 217) = ( 0.0955882 0.4044118 0.0955882), wk = 0.0032051 k( 218) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0032051 k( 219) = ( 0.1102941 0.3897059 0.1102941), wk = 0.0032051 k( 220) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0032051 k( 221) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0032051 k( 222) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0032051 k( 223) = ( 0.1397059 0.3602941 0.1397059), wk = 0.0032051 k( 224) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0032051 k( 225) = ( 0.1544118 0.3455882 0.1544118), wk = 0.0032051 k( 226) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0032051 k( 227) = ( 0.1691177 0.3308823 0.1691176), wk = 0.0032051 k( 228) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0032051 k( 229) = ( 0.1838235 0.3161765 0.1838235), wk = 0.0032051 k( 230) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0032051 k( 231) = ( 0.1985294 0.3014706 0.1985294), wk = 0.0032051 k( 232) = ( 0.2058823 0.2941177 0.2058823), wk = 0.0032051 k( 233) = ( 0.2132353 0.2867647 0.2132353), wk = 0.0032051 k( 234) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0032051 k( 235) = ( 0.2279412 0.2720588 0.2279412), wk = 0.0032051 k( 236) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0032051 k( 237) = ( 0.2426471 0.2573529 0.2426471), wk = 0.0032051 k( 238) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 239) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 k( 240) = ( 0.2647059 0.2647059 0.2302973), wk = 0.0032051 k( 241) = ( 0.2794118 0.2794118 0.2105946), wk = 0.0032051 k( 242) = ( 0.2941177 0.2941177 0.1908919), wk = 0.0032051 k( 243) = ( 0.3088235 0.3088235 0.1711891), wk = 0.0032051 k( 244) = ( 0.3235294 0.3235294 0.1514864), wk = 0.0032051 k( 245) = ( 0.3382353 0.3382353 0.1317837), wk = 0.0032051 k( 246) = ( 0.3529412 0.3529412 0.1120810), wk = 0.0032051 k( 247) = ( 0.3676471 0.3676471 0.0923783), wk = 0.0032051 k( 248) = ( 0.3823529 0.3823529 0.0726755), wk = 0.0032051 k( 249) = ( 0.3970588 0.3970588 0.0529728), wk = 0.0032051 k( 250) = ( 0.4117647 0.4117647 0.0332701), wk = 0.0032051 k( 251) = ( 0.4264706 0.4264706 0.0135674), wk = 0.0032051 k( 252) = ( 0.4411765 0.4411765 -0.0061353), wk = 0.0032051 k( 253) = ( 0.4558823 0.4558824 -0.0258381), wk = 0.0032051 k( 254) = ( 0.4705882 0.4705882 -0.0455408), wk = 0.0032051 k( 255) = ( 0.4852941 0.4852941 -0.0652435), wk = 0.0032051 k( 256) = ( 0.5000000 0.5000000 -0.0849462), wk = 0.0032051 k( 257) = ( 0.5000000 0.5000000 -0.0849462), wk = 0.0032051 k( 258) = ( 0.5000000 0.5000000 -0.0953225), wk = 0.0032051 k( 259) = ( 0.5000000 0.5000000 -0.1056989), wk = 0.0032051 k( 260) = ( 0.5000000 0.5000000 -0.1160752), wk = 0.0032051 k( 261) = ( 0.5000000 0.5000000 -0.1264516), wk = 0.0032051 k( 262) = ( 0.5000000 0.5000000 -0.1368279), wk = 0.0032051 k( 263) = ( 0.5000000 0.5000000 -0.1472043), wk = 0.0032051 k( 264) = ( 0.5000000 0.5000000 -0.1575806), wk = 0.0032051 k( 265) = ( 0.5000000 0.5000000 -0.1679570), wk = 0.0032051 k( 266) = ( 0.5000000 0.5000000 -0.1783333), wk = 0.0032051 k( 267) = ( 0.5000000 0.5000000 -0.1887097), wk = 0.0032051 k( 268) = ( 0.5000000 0.5000000 -0.1990860), wk = 0.0032051 k( 269) = ( 0.5000000 0.5000000 -0.2094623), wk = 0.0032051 k( 270) = ( 0.5000000 0.5000000 -0.2198387), wk = 0.0032051 k( 271) = ( 0.5000000 0.5000000 -0.2302150), wk = 0.0032051 k( 272) = ( 0.5000000 0.5000000 -0.2405914), wk = 0.0032051 k( 273) = ( 0.5000000 0.5000000 -0.2509677), wk = 0.0032051 k( 274) = ( 0.5000000 0.5000000 -0.2613441), wk = 0.0032051 k( 275) = ( 0.5000000 0.5000000 -0.2717204), wk = 0.0032051 k( 276) = ( 0.5000000 0.5000000 -0.2820968), wk = 0.0032051 k( 277) = ( 0.5000000 0.5000000 -0.2924731), wk = 0.0032051 k( 278) = ( 0.5000000 0.5000000 -0.3028494), wk = 0.0032051 k( 279) = ( 0.5000000 0.5000000 -0.3132258), wk = 0.0032051 k( 280) = ( 0.5000000 0.5000000 -0.3236021), wk = 0.0032051 k( 281) = ( 0.5000000 0.5000000 -0.3339785), wk = 0.0032051 k( 282) = ( 0.5000000 0.5000000 -0.3443548), wk = 0.0032051 k( 283) = ( 0.5000000 0.5000000 -0.3547312), wk = 0.0032051 k( 284) = ( 0.5000000 0.5000000 -0.3651075), wk = 0.0032051 k( 285) = ( 0.5000000 0.5000000 -0.3754839), wk = 0.0032051 k( 286) = ( 0.5000000 0.5000000 -0.3858602), wk = 0.0032051 k( 287) = ( 0.5000000 0.5000000 -0.3962366), wk = 0.0032051 k( 288) = ( 0.5000000 0.5000000 -0.4066129), wk = 0.0032051 k( 289) = ( 0.5000000 0.5000000 -0.4169892), wk = 0.0032051 k( 290) = ( 0.5000000 0.5000000 -0.4273656), wk = 0.0032051 k( 291) = ( 0.5000000 0.5000000 -0.4377419), wk = 0.0032051 k( 292) = ( 0.5000000 0.5000000 -0.4481183), wk = 0.0032051 k( 293) = ( 0.5000000 0.5000000 -0.4584946), wk = 0.0032051 k( 294) = ( 0.5000000 0.5000000 -0.4688710), wk = 0.0032051 k( 295) = ( 0.5000000 0.5000000 -0.4792473), wk = 0.0032051 k( 296) = ( 0.5000000 0.5000000 -0.4896237), wk = 0.0032051 k( 297) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032051 k( 298) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 299) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0032051 k( 300) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0032051 k( 301) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0032051 k( 302) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0032051 k( 303) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0032051 k( 304) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0032051 k( 305) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032051 k( 306) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0032051 k( 307) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0032051 k( 308) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0032051 k( 309) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0032051 k( 310) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0032051 k( 311) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0032051 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032051 Dense grid: 106715 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 51065 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 366, 46) NL pseudopotentials 0.25 Mb ( 183, 91) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2965) G-vector shells 0.01 Mb ( 1358) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 366, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.13 Mb ( 91, 2, 46) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./BaxMgGex2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.0 secs Computing kpt #: 21 total cpu time spent up to now is 14.6 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.9 secs Computing kpt #: 24 total cpu time spent up to now is 16.5 secs Computing kpt #: 25 total cpu time spent up to now is 17.1 secs Computing kpt #: 26 total cpu time spent up to now is 17.7 secs Computing kpt #: 27 total cpu time spent up to now is 18.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.0 secs Computing kpt #: 31 total cpu time spent up to now is 20.6 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.8 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 23.0 secs Computing kpt #: 36 total cpu time spent up to now is 23.5 secs Computing kpt #: 37 total cpu time spent up to now is 24.1 secs Computing kpt #: 38 total cpu time spent up to now is 24.7 secs Computing kpt #: 39 total cpu time spent up to now is 25.4 secs Computing kpt #: 40 total cpu time spent up to now is 26.0 secs Computing kpt #: 41 total cpu time spent up to now is 26.8 secs Computing kpt #: 42 total cpu time spent up to now is 27.5 secs Computing kpt #: 43 total cpu time spent up to now is 28.3 secs Computing kpt #: 44 total cpu time spent up to now is 29.0 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.4 secs Computing kpt #: 47 total cpu time spent up to now is 31.2 secs Computing kpt #: 48 total cpu time spent up to now is 31.9 secs Computing kpt #: 49 total cpu time spent up to now is 32.5 secs Computing kpt #: 50 total cpu time spent up to now is 33.2 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.6 secs Computing kpt #: 53 total cpu time spent up to now is 35.2 secs Computing kpt #: 54 total cpu time spent up to now is 35.9 secs Computing kpt #: 55 total cpu time spent up to now is 36.7 secs Computing kpt #: 56 total cpu time spent up to now is 37.4 secs Computing kpt #: 57 total cpu time spent up to now is 38.1 secs Computing kpt #: 58 total cpu time spent up to now is 38.8 secs Computing kpt #: 59 total cpu time spent up to now is 39.6 secs Computing kpt #: 60 total cpu time spent up to now is 40.3 secs Computing kpt #: 61 total cpu time spent up to now is 41.0 secs Computing kpt #: 62 total cpu time spent up to now is 41.8 secs Computing kpt #: 63 total cpu time spent up to now is 42.5 secs Computing kpt #: 64 total cpu time spent up to now is 43.2 secs Computing kpt #: 65 total cpu time spent up to now is 44.0 secs Computing kpt #: 66 total cpu time spent up to now is 44.6 secs Computing kpt #: 67 total cpu time spent up to now is 45.3 secs Computing kpt #: 68 total cpu time spent up to now is 45.9 secs Computing kpt #: 69 total cpu time spent up to now is 46.6 secs Computing kpt #: 70 total cpu time spent up to now is 47.3 secs Computing kpt #: 71 total cpu time spent up to now is 48.0 secs Computing kpt #: 72 total cpu time spent up to now is 48.6 secs Computing kpt #: 73 total cpu time spent up to now is 49.3 secs Computing kpt #: 74 total cpu time spent up to now is 49.9 secs Computing kpt #: 75 total cpu time spent up to now is 50.6 secs Computing kpt #: 76 total cpu time spent up to now is 51.2 secs Computing kpt #: 77 total cpu time spent up to now is 51.9 secs Computing kpt #: 78 total cpu time spent up to now is 52.5 secs Computing kpt #: 79 total cpu time spent up to now is 53.1 secs Computing kpt #: 80 total cpu time spent up to now is 53.7 secs Computing kpt #: 81 total cpu time spent up to now is 54.3 secs Computing kpt #: 82 total cpu time spent up to now is 55.0 secs Computing kpt #: 83 total cpu time spent up to now is 55.6 secs Computing kpt #: 84 total cpu time spent up to now is 56.2 secs Computing kpt #: 85 total cpu time spent up to now is 56.8 secs Computing kpt #: 86 total cpu time spent up to now is 57.5 secs Computing kpt #: 87 total cpu time spent up to now is 58.1 secs Computing kpt #: 88 total cpu time spent up to now is 58.7 secs Computing kpt #: 89 total cpu time spent up to now is 59.3 secs Computing kpt #: 90 total cpu time spent up to now is 60.0 secs Computing kpt #: 91 total cpu time spent up to now is 60.6 secs Computing kpt #: 92 total cpu time spent up to now is 61.3 secs Computing kpt #: 93 total cpu time spent up to now is 61.9 secs Computing kpt #: 94 total cpu time spent up to now is 62.5 secs Computing kpt #: 95 total cpu time spent up to now is 63.2 secs Computing kpt #: 96 total cpu time spent up to now is 63.8 secs Computing kpt #: 97 total cpu time spent up to now is 64.5 secs Computing kpt #: 98 total cpu time spent up to now is 65.1 secs Computing kpt #: 99 total cpu time spent up to now is 65.8 secs Computing kpt #: 100 total cpu time spent up to now is 66.4 secs Computing kpt #: 101 total cpu time spent up to now is 67.1 secs Computing kpt #: 102 total cpu time spent up to now is 67.7 secs Computing kpt #: 103 total cpu time spent up to now is 68.4 secs Computing kpt #: 104 total cpu time spent up to now is 69.0 secs Computing kpt #: 105 total cpu time spent up to now is 69.6 secs Computing kpt #: 106 total cpu time spent up to now is 70.3 secs Computing kpt #: 107 total cpu time spent up to now is 70.9 secs Computing kpt #: 108 total cpu time spent up to now is 71.8 secs Computing kpt #: 109 total cpu time spent up to now is 72.8 secs Computing kpt #: 110 total cpu time spent up to now is 73.5 secs Computing kpt #: 111 total cpu time spent up to now is 74.1 secs Computing kpt #: 112 total cpu time spent up to now is 74.8 secs Computing kpt #: 113 total cpu time spent up to now is 75.4 secs Computing kpt #: 114 total cpu time spent up to now is 76.0 secs Computing kpt #: 115 total cpu time spent up to now is 76.6 secs Computing kpt #: 116 total cpu time spent up to now is 77.2 secs Computing kpt #: 117 total cpu time spent up to now is 77.8 secs Computing kpt #: 118 total cpu time spent up to now is 78.4 secs Computing kpt #: 119 total cpu time spent up to now is 79.0 secs Computing kpt #: 120 total cpu time spent up to now is 79.6 secs Computing kpt #: 121 total cpu time spent up to now is 80.2 secs Computing kpt #: 122 total cpu time spent up to now is 80.7 secs Computing kpt #: 123 total cpu time spent up to now is 81.3 secs Computing kpt #: 124 total cpu time spent up to now is 81.8 secs Computing kpt #: 125 total cpu time spent up to now is 82.4 secs Computing kpt #: 126 total cpu time spent up to now is 83.0 secs Computing kpt #: 127 total cpu time spent up to now is 83.5 secs Computing kpt #: 128 total cpu time spent up to now is 84.1 secs Computing kpt #: 129 total cpu time spent up to now is 84.7 secs Computing kpt #: 130 total cpu time spent up to now is 85.2 secs Computing kpt #: 131 total cpu time spent up to now is 85.8 secs Computing kpt #: 132 total cpu time spent up to now is 86.3 secs Computing kpt #: 133 total cpu time spent up to now is 86.9 secs Computing kpt #: 134 total cpu time spent up to now is 87.5 secs Computing kpt #: 135 total cpu time spent up to now is 88.0 secs Computing kpt #: 136 total cpu time spent up to now is 88.6 secs Computing kpt #: 137 total cpu time spent up to now is 89.2 secs Computing kpt #: 138 total cpu time spent up to now is 89.7 secs Computing kpt #: 139 total cpu time spent up to now is 90.3 secs Computing kpt #: 140 total cpu time spent up to now is 90.9 secs Computing kpt #: 141 total cpu time spent up to now is 91.5 secs Computing kpt #: 142 total cpu time spent up to now is 92.1 secs Computing kpt #: 143 total cpu time spent up to now is 92.7 secs Computing kpt #: 144 total cpu time spent up to now is 93.3 secs Computing kpt #: 145 total cpu time spent up to now is 94.0 secs Computing kpt #: 146 total cpu time spent up to now is 94.6 secs Computing kpt #: 147 total cpu time spent up to now is 95.2 secs Computing kpt #: 148 total cpu time spent up to now is 95.9 secs Computing kpt #: 149 total cpu time spent up to now is 96.5 secs Computing kpt #: 150 total cpu time spent up to now is 97.3 secs Computing kpt #: 151 total cpu time spent up to now is 98.0 secs Computing kpt #: 152 total cpu time spent up to now is 98.7 secs Computing kpt #: 153 total cpu time spent up to now is 99.4 secs Computing kpt #: 154 total cpu time spent up to now is 100.1 secs Computing kpt #: 155 total cpu time spent up to now is 100.8 secs Computing kpt #: 156 total cpu time spent up to now is 101.5 secs Computing kpt #: 157 total cpu time spent up to now is 102.2 secs Computing kpt #: 158 total cpu time spent up to now is 102.9 secs Computing kpt #: 159 total cpu time spent up to now is 103.7 secs Computing kpt #: 160 total cpu time spent up to now is 104.4 secs Computing kpt #: 161 total cpu time spent up to now is 105.1 secs Computing kpt #: 162 total cpu time spent up to now is 105.8 secs Computing kpt #: 163 total cpu time spent up to now is 106.4 secs Computing kpt #: 164 total cpu time spent up to now is 107.0 secs Computing kpt #: 165 total cpu time spent up to now is 107.6 secs Computing kpt #: 166 total cpu time spent up to now is 108.2 secs Computing kpt #: 167 total cpu time spent up to now is 108.8 secs Computing kpt #: 168 total cpu time spent up to now is 109.4 secs Computing kpt #: 169 total cpu time spent up to now is 110.0 secs Computing kpt #: 170 total cpu time spent up to now is 110.6 secs Computing kpt #: 171 total cpu time spent up to now is 111.2 secs Computing kpt #: 172 total cpu time spent up to now is 111.8 secs Computing kpt #: 173 total cpu time spent up to now is 112.4 secs Computing kpt #: 174 total cpu time spent up to now is 113.0 secs Computing kpt #: 175 total cpu time spent up to now is 113.7 secs Computing kpt #: 176 total cpu time spent up to now is 114.3 secs Computing kpt #: 177 total cpu time spent up to now is 114.9 secs Computing kpt #: 178 total cpu time spent up to now is 115.5 secs Computing kpt #: 179 total cpu time spent up to now is 116.1 secs Computing kpt #: 180 total cpu time spent up to now is 116.7 secs Computing kpt #: 181 total cpu time spent up to now is 117.3 secs Computing kpt #: 182 total cpu time spent up to now is 117.9 secs Computing kpt #: 183 total cpu time spent up to now is 118.5 secs Computing kpt #: 184 total cpu time spent up to now is 119.1 secs Computing kpt #: 185 total cpu time spent up to now is 119.7 secs Computing kpt #: 186 total cpu time spent up to now is 120.3 secs Computing kpt #: 187 total cpu time spent up to now is 121.0 secs Computing kpt #: 188 total cpu time spent up to now is 121.6 secs Computing kpt #: 189 total cpu time spent up to now is 122.2 secs Computing kpt #: 190 total cpu time spent up to now is 122.9 secs Computing kpt #: 191 total cpu time spent up to now is 123.5 secs Computing kpt #: 192 total cpu time spent up to now is 124.2 secs Computing kpt #: 193 total cpu time spent up to now is 124.8 secs Computing kpt #: 194 total cpu time spent up to now is 125.4 secs Computing kpt #: 195 total cpu time spent up to now is 126.0 secs Computing kpt #: 196 total cpu time spent up to now is 126.7 secs Computing kpt #: 197 total cpu time spent up to now is 127.3 secs Computing kpt #: 198 total cpu time spent up to now is 127.9 secs Computing kpt #: 199 total cpu time spent up to now is 128.5 secs Computing kpt #: 200 total cpu time spent up to now is 129.1 secs Computing kpt #: 201 total cpu time spent up to now is 129.7 secs Computing kpt #: 202 total cpu time spent up to now is 130.3 secs Computing kpt #: 203 total cpu time spent up to now is 130.9 secs Computing kpt #: 204 total cpu time spent up to now is 131.5 secs Computing kpt #: 205 total cpu time spent up to now is 132.1 secs Computing kpt #: 206 total cpu time spent up to now is 132.7 secs Computing kpt #: 207 total cpu time spent up to now is 133.3 secs Computing kpt #: 208 total cpu time spent up to now is 133.9 secs Computing kpt #: 209 total cpu time spent up to now is 134.5 secs Computing kpt #: 210 total cpu time spent up to now is 135.1 secs Computing kpt #: 211 total cpu time spent up to now is 135.7 secs Computing kpt #: 212 total cpu time spent up to now is 136.2 secs Computing kpt #: 213 total cpu time spent up to now is 136.8 secs Computing kpt #: 214 total cpu time spent up to now is 137.4 secs Computing kpt #: 215 total cpu time spent up to now is 138.0 secs Computing kpt #: 216 total cpu time spent up to now is 138.6 secs Computing kpt #: 217 total cpu time spent up to now is 139.3 secs Computing kpt #: 218 total cpu time spent up to now is 139.9 secs Computing kpt #: 219 total cpu time spent up to now is 140.5 secs Computing kpt #: 220 total cpu time spent up to now is 141.1 secs Computing kpt #: 221 total cpu time spent up to now is 141.7 secs Computing kpt #: 222 total cpu time spent up to now is 142.3 secs Computing kpt #: 223 total cpu time spent up to now is 142.9 secs Computing kpt #: 224 total cpu time spent up to now is 143.4 secs Computing kpt #: 225 total cpu time spent up to now is 144.0 secs Computing kpt #: 226 total cpu time spent up to now is 144.6 secs Computing kpt #: 227 total cpu time spent up to now is 145.1 secs Computing kpt #: 228 total cpu time spent up to now is 145.7 secs Computing kpt #: 229 total cpu time spent up to now is 146.3 secs Computing kpt #: 230 total cpu time spent up to now is 146.9 secs Computing kpt #: 231 total cpu time spent up to now is 147.4 secs Computing kpt #: 232 total cpu time spent up to now is 148.0 secs Computing kpt #: 233 total cpu time spent up to now is 148.6 secs Computing kpt #: 234 total cpu time spent up to now is 149.1 secs Computing kpt #: 235 total cpu time spent up to now is 149.7 secs Computing kpt #: 236 total cpu time spent up to now is 150.3 secs Computing kpt #: 237 total cpu time spent up to now is 150.9 secs Computing kpt #: 238 total cpu time spent up to now is 151.5 secs Computing kpt #: 239 total cpu time spent up to now is 152.0 secs Computing kpt #: 240 total cpu time spent up to now is 152.6 secs Computing kpt #: 241 total cpu time spent up to now is 153.2 secs Computing kpt #: 242 total cpu time spent up to now is 153.8 secs Computing kpt #: 243 total cpu time spent up to now is 154.4 secs Computing kpt #: 244 total cpu time spent up to now is 154.9 secs Computing kpt #: 245 total cpu time spent up to now is 155.5 secs Computing kpt #: 246 total cpu time spent up to now is 156.1 secs Computing kpt #: 247 total cpu time spent up to now is 156.7 secs Computing kpt #: 248 total cpu time spent up to now is 157.3 secs Computing kpt #: 249 total cpu time spent up to now is 157.9 secs Computing kpt #: 250 total cpu time spent up to now is 158.5 secs Computing kpt #: 251 total cpu time spent up to now is 159.1 secs Computing kpt #: 252 total cpu time spent up to now is 159.8 secs Computing kpt #: 253 total cpu time spent up to now is 160.4 secs Computing kpt #: 254 total cpu time spent up to now is 161.0 secs Computing kpt #: 255 total cpu time spent up to now is 161.7 secs Computing kpt #: 256 total cpu time spent up to now is 162.5 secs Computing kpt #: 257 total cpu time spent up to now is 163.2 secs Computing kpt #: 258 total cpu time spent up to now is 164.0 secs Computing kpt #: 259 total cpu time spent up to now is 164.7 secs Computing kpt #: 260 total cpu time spent up to now is 165.4 secs Computing kpt #: 261 total cpu time spent up to now is 166.2 secs Computing kpt #: 262 total cpu time spent up to now is 167.0 secs Computing kpt #: 263 total cpu time spent up to now is 167.7 secs Computing kpt #: 264 total cpu time spent up to now is 168.5 secs Computing kpt #: 265 total cpu time spent up to now is 169.2 secs Computing kpt #: 266 total cpu time spent up to now is 170.0 secs Computing kpt #: 267 total cpu time spent up to now is 170.7 secs Computing kpt #: 268 total cpu time spent up to now is 171.4 secs Computing kpt #: 269 total cpu time spent up to now is 172.2 secs Computing kpt #: 270 total cpu time spent up to now is 172.9 secs Computing kpt #: 271 total cpu time spent up to now is 173.5 secs Computing kpt #: 272 total cpu time spent up to now is 174.2 secs Computing kpt #: 273 total cpu time spent up to now is 174.8 secs Computing kpt #: 274 total cpu time spent up to now is 175.5 secs Computing kpt #: 275 total cpu time spent up to now is 176.1 secs Computing kpt #: 276 total cpu time spent up to now is 176.7 secs Computing kpt #: 277 total cpu time spent up to now is 177.3 secs Computing kpt #: 278 total cpu time spent up to now is 177.9 secs Computing kpt #: 279 total cpu time spent up to now is 178.5 secs Computing kpt #: 280 total cpu time spent up to now is 179.1 secs Computing kpt #: 281 total cpu time spent up to now is 179.7 secs Computing kpt #: 282 total cpu time spent up to now is 180.3 secs Computing kpt #: 283 total cpu time spent up to now is 180.9 secs Computing kpt #: 284 total cpu time spent up to now is 181.5 secs Computing kpt #: 285 total cpu time spent up to now is 182.1 secs Computing kpt #: 286 total cpu time spent up to now is 182.7 secs Computing kpt #: 287 total cpu time spent up to now is 183.4 secs Computing kpt #: 288 total cpu time spent up to now is 184.0 secs Computing kpt #: 289 total cpu time spent up to now is 184.7 secs Computing kpt #: 290 total cpu time spent up to now is 185.3 secs Computing kpt #: 291 total cpu time spent up to now is 185.9 secs Computing kpt #: 292 total cpu time spent up to now is 186.6 secs Computing kpt #: 293 total cpu time spent up to now is 187.3 secs Computing kpt #: 294 total cpu time spent up to now is 188.0 secs Computing kpt #: 295 total cpu time spent up to now is 188.7 secs Computing kpt #: 296 total cpu time spent up to now is 189.5 secs Computing kpt #: 297 total cpu time spent up to now is 190.2 secs Computing kpt #: 298 total cpu time spent up to now is 190.9 secs Computing kpt #: 299 total cpu time spent up to now is 191.6 secs Computing kpt #: 300 total cpu time spent up to now is 192.3 secs Computing kpt #: 301 total cpu time spent up to now is 193.1 secs Computing kpt #: 302 total cpu time spent up to now is 193.8 secs Computing kpt #: 303 total cpu time spent up to now is 194.4 secs Computing kpt #: 304 total cpu time spent up to now is 195.0 secs Computing kpt #: 305 total cpu time spent up to now is 195.6 secs Computing kpt #: 306 total cpu time spent up to now is 196.2 secs Computing kpt #: 307 total cpu time spent up to now is 196.8 secs Computing kpt #: 308 total cpu time spent up to now is 197.4 secs Computing kpt #: 309 total cpu time spent up to now is 198.0 secs Computing kpt #: 310 total cpu time spent up to now is 198.5 secs Computing kpt #: 311 total cpu time spent up to now is 199.1 secs Computing kpt #: 312 total cpu time spent up to now is 199.7 secs ethr = 2.63E-08, avg # of iterations = 17.8 total cpu time spent up to now is 199.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6371 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1879 -7.1879 -5.2653 -5.2653 -5.1053 -5.1053 -2.4013 -2.4013 0.6225 0.6225 2.9102 2.9102 5.8395 5.8395 5.9022 5.9022 6.7786 6.7786 6.9834 6.9834 7.5894 7.5894 8.8492 8.8492 9.0004 9.0004 9.4996 9.4996 k = 0.0000 0.0000 0.0207 ( 6371 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1880 -7.1880 -5.2654 -5.2654 -5.1058 -5.1058 -2.3996 -2.3996 0.6218 0.6218 2.9111 2.9111 5.8378 5.8378 5.9005 5.9005 6.7696 6.7696 6.9722 6.9722 7.6018 7.6018 8.8492 8.8492 9.0081 9.0081 9.5095 9.5095 k = 0.0000 0.0000 0.0414 ( 6373 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1666 -35.1666 -20.5090 -20.5090 -7.1883 -7.1883 -5.2657 -5.2657 -5.1072 -5.1072 -2.3948 -2.3948 0.6199 0.6199 2.9138 2.9138 5.8306 5.8306 5.8976 5.8976 6.7437 6.7437 6.9404 6.9404 7.6373 7.6373 8.8491 8.8491 9.0313 9.0313 9.5380 9.5380 k = 0.0000 0.0000 0.0621 ( 6389 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1666 -35.1666 -20.5089 -20.5089 -7.1889 -7.1889 -5.2662 -5.2662 -5.1096 -5.1096 -2.3867 -2.3867 0.6166 0.6166 2.9181 2.9181 5.8138 5.8138 5.8980 5.8980 6.7029 6.7029 6.8923 6.8923 7.6913 7.6913 8.8492 8.8492 9.0693 9.0693 9.5820 9.5820 k = 0.0000 0.0000 0.0827 ( 6385 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5088 -20.5088 -7.1897 -7.1897 -5.2670 -5.2670 -5.1128 -5.1128 -2.3756 -2.3756 0.6122 0.6122 2.9241 2.9241 5.7855 5.7855 5.9040 5.9040 6.6495 6.6495 6.8329 6.8329 7.7595 7.7595 8.8498 8.8498 9.1216 9.1216 9.6370 9.6370 k = 0.0000 0.0000 0.1034 ( 6393 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5086 -20.5086 -7.1907 -7.1907 -5.2679 -5.2679 -5.1169 -5.1169 -2.3615 -2.3615 0.6066 0.6066 2.9316 2.9316 5.7471 5.7471 5.9148 5.9148 6.5850 6.5850 6.7671 6.7671 7.8384 7.8384 8.8512 8.8512 9.1872 9.1872 9.6977 9.6977 k = 0.0000 0.0000 0.1241 ( 6389 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1771 -35.1771 -35.1686 -35.1686 -35.1668 -35.1668 -35.1666 -35.1666 -20.5083 -20.5083 -7.1919 -7.1919 -5.2690 -5.2690 -5.1218 -5.1218 -2.3445 -2.3445 0.5999 0.5999 2.9406 2.9406 5.7006 5.7006 5.9293 5.9293 6.5107 6.5107 6.6994 6.6994 7.9256 7.9256 8.8538 8.8538 9.2651 9.2651 9.7588 9.7588 k = 0.0000 0.0000 0.1448 ( 6389 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1770 -35.1770 -35.1686 -35.1686 -35.1669 -35.1669 -35.1666 -35.1666 -20.5081 -20.5081 -7.1934 -7.1934 -5.2704 -5.2704 -5.1273 -5.1273 -2.3248 -2.3248 0.5922 0.5922 2.9508 2.9508 5.6476 5.6476 5.9464 5.9464 6.4279 6.4279 6.6329 6.6329 8.0195 8.0195 8.8581 8.8581 9.3544 9.3544 9.8160 9.8160 k = 0.0000 0.0000 0.1655 ( 6383 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1770 -35.1770 -35.1686 -35.1686 -35.1670 -35.1670 -35.1665 -35.1665 -20.5078 -20.5078 -7.1950 -7.1950 -5.2719 -5.2719 -5.1335 -5.1335 -2.3027 -2.3027 0.5836 0.5836 2.9620 2.9620 5.5892 5.5892 5.9655 5.9655 6.3388 6.3388 6.5691 6.5691 8.1189 8.1189 8.8644 8.8644 9.4541 9.4541 9.8661 9.8661 k = 0.0000 0.0000 0.1862 ( 6383 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4605 -35.4605 -35.4547 -35.4547 -35.1769 -35.1769 -35.1685 -35.1685 -35.1672 -35.1672 -35.1665 -35.1665 -20.5074 -20.5074 -7.1967 -7.1967 -5.2736 -5.2736 -5.1402 -5.1402 -2.2782 -2.2782 0.5742 0.5742 2.9740 2.9740 5.5265 5.5265 5.9855 5.9855 6.2461 6.2461 6.5087 6.5087 8.2232 8.2232 8.8733 8.8733 9.5631 9.5631 9.9078 9.9078 k = 0.0000 0.0000 0.2068 ( 6375 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4604 -35.4604 -35.4547 -35.4547 -35.1767 -35.1767 -35.1685 -35.1685 -35.1673 -35.1673 -35.1665 -35.1665 -20.5071 -20.5071 -7.1987 -7.1987 -5.2755 -5.2755 -5.1473 -5.1473 -2.2517 -2.2517 0.5642 0.5642 2.9867 2.9867 5.4606 5.4606 6.0048 6.0048 6.1533 6.1533 6.4515 6.4515 8.3318 8.3318 8.8852 8.8852 9.6808 9.6808 9.9406 9.9406 k = 0.0000 0.0000 0.2275 ( 6363 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4604 -35.4604 -35.4548 -35.4548 -35.1766 -35.1766 -35.1685 -35.1685 -35.1675 -35.1675 -35.1665 -35.1665 -20.5067 -20.5067 -7.2008 -7.2008 -5.2775 -5.2775 -5.1547 -5.1547 -2.2233 -2.2233 0.5536 0.5536 2.9997 2.9997 5.3921 5.3921 6.0122 6.0122 6.0732 6.0732 6.3975 6.3975 8.4441 8.4441 8.9008 8.9008 9.8061 9.8061 9.9648 9.9648 k = 0.0000 0.0000 0.2482 ( 6365 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4603 -35.4603 -35.4549 -35.4549 -35.1765 -35.1765 -35.1684 -35.1684 -35.1676 -35.1676 -35.1665 -35.1665 -20.5062 -20.5062 -7.2030 -7.2030 -5.2797 -5.2797 -5.1623 -5.1623 -2.1934 -2.1934 0.5426 0.5426 3.0126 3.0126 5.3219 5.3219 5.9515 5.9515 6.0626 6.0626 6.3467 6.3467 8.5600 8.5600 8.9206 8.9206 9.9377 9.9377 9.9816 9.9816 k = 0.0000 0.0000 0.2689 ( 6359 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4602 -35.4602 -35.4550 -35.4550 -35.1764 -35.1764 -35.1684 -35.1684 -35.1678 -35.1678 -35.1665 -35.1665 -20.5058 -20.5058 -7.2054 -7.2054 -5.2821 -5.2821 -5.1701 -5.1701 -2.1622 -2.1622 0.5313 0.5313 3.0254 3.0254 5.2504 5.2504 5.8663 5.8663 6.0786 6.0786 6.2994 6.2994 8.6787 8.6787 8.9454 8.9454 9.9879 9.9879 10.0787 10.0787 k = 0.0000 0.0000 0.2896 ( 6363 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4601 -35.4601 -35.4550 -35.4550 -35.1763 -35.1763 -35.1683 -35.1683 -35.1680 -35.1680 -35.1664 -35.1664 -20.5053 -20.5053 -7.2078 -7.2078 -5.2846 -5.2846 -5.1779 -5.1779 -2.1299 -2.1299 0.5199 0.5199 3.0375 3.0375 5.1782 5.1782 5.7831 5.7831 6.0945 6.0945 6.2566 6.2566 8.7996 8.7996 8.9762 8.9762 9.9891 9.9891 10.2233 10.2233 k = 0.0000 0.0000 0.3103 ( 6355 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4600 -35.4600 -35.4551 -35.4551 -35.1762 -35.1762 -35.1683 -35.1683 -35.1682 -35.1682 -35.1664 -35.1664 -20.5047 -20.5047 -7.2104 -7.2104 -5.2871 -5.2871 -5.1858 -5.1858 -2.0969 -2.0969 0.5084 0.5084 3.0489 3.0489 5.1058 5.1058 5.7048 5.7048 6.1049 6.1049 6.2209 6.2209 8.9197 8.9197 9.0163 9.0163 9.9831 9.9831 10.3736 10.3736 k = 0.0000 0.0000 0.3310 ( 6363 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4600 -35.4600 -35.4552 -35.4552 -35.1761 -35.1761 -35.1684 -35.1684 -35.1682 -35.1682 -35.1664 -35.1664 -20.5042 -20.5042 -7.2129 -7.2129 -5.2898 -5.2898 -5.1935 -5.1935 -2.0635 -2.0635 0.4969 0.4969 3.0591 3.0591 5.0336 5.0336 5.6327 5.6327 6.1031 6.1031 6.1980 6.1980 9.0198 9.0198 9.0848 9.0848 9.9704 9.9704 10.5289 10.5289 k = 0.0000 0.0000 0.3516 ( 6367 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4599 -35.4599 -35.4553 -35.4553 -35.1760 -35.1760 -35.1686 -35.1686 -35.1682 -35.1682 -35.1664 -35.1664 -20.5036 -20.5036 -7.2156 -7.2156 -5.2926 -5.2926 -5.2010 -5.2010 -2.0299 -2.0299 0.4856 0.4856 3.0681 3.0681 4.9619 4.9619 5.5674 5.5674 6.0849 6.0849 6.1918 6.1918 9.0814 9.0814 9.2004 9.2004 9.9518 9.9518 10.6865 10.6865 k = 0.0000 0.0000 0.3723 ( 6371 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4598 -35.4598 -35.4554 -35.4554 -35.1758 -35.1758 -35.1689 -35.1689 -35.1681 -35.1681 -35.1663 -35.1663 -20.5031 -20.5031 -7.2183 -7.2183 -5.2954 -5.2954 -5.2084 -5.2084 -1.9965 -1.9965 0.4746 0.4746 3.0757 3.0757 4.8909 4.8909 5.5094 5.5094 6.0567 6.0567 6.1952 6.1952 9.1370 9.1370 9.3303 9.3303 9.9277 9.9277 10.6044 10.6044 k = 0.0000 0.0000 0.3930 ( 6363 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4597 -35.4597 -35.4555 -35.4555 -35.1757 -35.1757 -35.1691 -35.1691 -35.1680 -35.1680 -35.1663 -35.1663 -20.5025 -20.5025 -7.2210 -7.2210 -5.2983 -5.2983 -5.2155 -5.2155 -1.9634 -1.9634 0.4640 0.4640 3.0819 3.0819 4.8210 4.8210 5.4589 5.4589 6.0256 6.0256 6.2009 6.2009 9.1962 9.1962 9.4645 9.4645 9.8992 9.8992 10.4618 10.4618 k = 0.0000 0.0000 0.4137 ( 6371 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4596 -35.4596 -35.4556 -35.4556 -35.1756 -35.1756 -35.1693 -35.1693 -35.1680 -35.1680 -35.1663 -35.1663 -20.5019 -20.5019 -7.2236 -7.2236 -5.3011 -5.3011 -5.2223 -5.2223 -1.9311 -1.9311 0.4538 0.4538 3.0868 3.0868 4.7523 4.7523 5.4158 5.4158 5.9946 5.9946 6.2058 6.2058 9.2597 9.2597 9.6011 9.6011 9.8671 9.8671 10.3230 10.3230 k = 0.0000 0.0000 0.4344 ( 6363 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4595 -35.4595 -35.4557 -35.4557 -35.1754 -35.1754 -35.1696 -35.1696 -35.1679 -35.1679 -35.1662 -35.1662 -20.5013 -20.5013 -7.2263 -7.2263 -5.3039 -5.3039 -5.2287 -5.2287 -1.8997 -1.8997 0.4441 0.4441 3.0905 3.0905 4.6851 4.6851 5.3800 5.3800 5.9646 5.9646 6.2088 6.2088 9.3263 9.3263 9.7373 9.7373 9.8343 9.8343 10.1907 10.1907 k = 0.0000 0.0000 0.4551 ( 6365 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4594 -35.4594 -35.4558 -35.4558 -35.1753 -35.1753 -35.1698 -35.1698 -35.1678 -35.1678 -35.1662 -35.1662 -20.5006 -20.5006 -7.2289 -7.2289 -5.3067 -5.3067 -5.2349 -5.2349 -1.8696 -1.8696 0.4350 0.4350 3.0935 3.0935 4.6195 4.6195 5.3509 5.3509 5.9360 5.9360 6.2092 6.2092 9.3928 9.3928 9.7868 9.7868 9.8867 9.8867 10.0691 10.0691 k = 0.0000 0.0000 0.4757 ( 6363 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4593 -35.4593 -35.4560 -35.4560 -35.1752 -35.1752 -35.1701 -35.1701 -35.1677 -35.1677 -35.1662 -35.1662 -20.5000 -20.5000 -7.2315 -7.2315 -5.3093 -5.3093 -5.2407 -5.2407 -1.8409 -1.8409 0.4265 0.4265 3.0961 3.0961 4.5556 4.5556 5.3279 5.3279 5.9091 5.9091 6.2071 6.2071 9.4508 9.4508 9.7488 9.7488 9.9605 9.9605 10.0314 10.0314 k = 0.0000 0.0000 0.4964 ( 6375 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4592 -35.4592 -35.4561 -35.4561 -35.1751 -35.1751 -35.1703 -35.1703 -35.1676 -35.1676 -35.1661 -35.1661 -20.4994 -20.4994 -7.2341 -7.2341 -5.3118 -5.3118 -5.2462 -5.2462 -1.8139 -1.8139 0.4188 0.4188 3.0988 3.0988 4.4936 4.4936 5.3101 5.3101 5.8840 5.8840 6.2024 6.2024 9.4812 9.4812 9.7054 9.7054 9.8991 9.8991 10.1653 10.1653 k = 0.0000 0.0000 0.5171 ( 6367 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4591 -35.4591 -35.4562 -35.4562 -35.1750 -35.1750 -35.1706 -35.1706 -35.1675 -35.1675 -35.1661 -35.1661 -20.4988 -20.4988 -7.2365 -7.2365 -5.3142 -5.3142 -5.2514 -5.2514 -1.7888 -1.7888 0.4117 0.4117 3.1022 3.1022 4.4336 4.4336 5.2966 5.2966 5.8605 5.8605 6.1951 6.1951 9.4589 9.4589 9.6594 9.6594 9.8970 9.8970 10.0589 10.0589 k = 0.0000 0.0000 0.5378 ( 6369 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4590 -35.4590 -35.4563 -35.4563 -35.1749 -35.1749 -35.1708 -35.1708 -35.1674 -35.1674 -35.1661 -35.1661 -20.4982 -20.4982 -7.2389 -7.2389 -5.3164 -5.3164 -5.2562 -5.2562 -1.7658 -1.7658 0.4053 0.4053 3.1069 3.1069 4.3756 4.3756 5.2862 5.2862 5.8387 5.8387 6.1856 6.1856 9.3881 9.3881 9.6124 9.6124 9.9162 9.9162 9.9803 9.9803 k = 0.0000 0.0000 0.5585 ( 6365 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4589 -35.4589 -35.4564 -35.4564 -35.1748 -35.1748 -35.1710 -35.1710 -35.1673 -35.1673 -35.1660 -35.1660 -20.4975 -20.4975 -7.2412 -7.2412 -5.3183 -5.3183 -5.2607 -5.2607 -1.7448 -1.7448 0.3997 0.3997 3.1134 3.1134 4.3198 4.3198 5.2778 5.2778 5.8185 5.8185 6.1739 6.1739 9.2945 9.2945 9.5622 9.5622 9.8291 9.8291 10.0541 10.0541 k = 0.0000 0.0000 0.5792 ( 6371 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4588 -35.4588 -35.4565 -35.4565 -35.1748 -35.1748 -35.1713 -35.1713 -35.1672 -35.1672 -35.1660 -35.1660 -20.4969 -20.4969 -7.2434 -7.2434 -5.3201 -5.3201 -5.2649 -5.2649 -1.7262 -1.7262 0.3948 0.3948 3.1224 3.1224 4.2663 4.2663 5.2699 5.2699 5.8000 5.8000 6.1603 6.1603 9.1937 9.1937 9.5063 9.5063 9.7448 9.7448 10.1596 10.1596 k = 0.0000 0.0000 0.5998 ( 6391 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4588 -35.4588 -35.4566 -35.4566 -35.1747 -35.1747 -35.1716 -35.1716 -35.1671 -35.1671 -35.1660 -35.1660 -20.4963 -20.4963 -7.2454 -7.2454 -5.3217 -5.3217 -5.2688 -5.2688 -1.7098 -1.7098 0.3906 0.3906 3.1343 3.1343 4.2150 4.2150 5.2614 5.2614 5.7829 5.7829 6.1450 6.1450 9.0921 9.0921 9.4439 9.4439 9.6780 9.6780 10.2773 10.2773 k = 0.0000 0.0000 0.6205 ( 6391 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4587 -35.4587 -35.4567 -35.4567 -35.1746 -35.1746 -35.1718 -35.1718 -35.1670 -35.1670 -35.1659 -35.1659 -20.4958 -20.4958 -7.2474 -7.2474 -5.3230 -5.3230 -5.2723 -5.2723 -1.6957 -1.6957 0.3871 0.3871 3.1496 3.1496 4.1661 4.1661 5.2510 5.2510 5.7674 5.7674 6.1284 6.1284 8.9926 8.9926 9.3776 9.3776 9.6280 9.6280 10.4032 10.4032 k = 0.0000 0.0000 0.6412 ( 6395 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4586 -35.4586 -35.4568 -35.4568 -35.1746 -35.1746 -35.1720 -35.1720 -35.1668 -35.1668 -35.1659 -35.1659 -20.4952 -20.4952 -7.2493 -7.2493 -5.3242 -5.3242 -5.2756 -5.2756 -1.6839 -1.6839 0.3843 0.3843 3.1687 3.1687 4.1196 4.1196 5.2376 5.2376 5.7532 5.7532 6.1107 6.1107 8.8965 8.8965 9.3118 9.3118 9.5918 9.5918 10.5354 10.5354 k = 0.0000 0.0000 0.6619 ( 6403 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4585 -35.4585 -35.4569 -35.4569 -35.1745 -35.1745 -35.1722 -35.1722 -35.1667 -35.1667 -35.1659 -35.1659 -20.4947 -20.4947 -7.2510 -7.2510 -5.3251 -5.3251 -5.2786 -5.2786 -1.6743 -1.6743 0.3821 0.3821 3.1918 3.1918 4.0755 4.0755 5.2202 5.2202 5.7404 5.7404 6.0922 6.0922 8.8047 8.8047 9.2499 9.2499 9.5666 9.5666 10.6729 10.6729 k = 0.0000 0.0000 0.6826 ( 6395 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4570 -35.4570 -35.1745 -35.1745 -35.1724 -35.1724 -35.1666 -35.1666 -35.1659 -35.1659 -20.4941 -20.4941 -7.2526 -7.2526 -5.3259 -5.3259 -5.2813 -5.2813 -1.6668 -1.6668 0.3805 0.3805 3.2192 3.2192 4.0340 4.0340 5.1980 5.1980 5.7288 5.7288 6.0730 6.0730 8.7175 8.7175 9.1938 9.1938 9.5510 9.5510 10.8149 10.8149 k = 0.0000 0.0000 0.7033 ( 6411 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4571 -35.4571 -35.1744 -35.1744 -35.1726 -35.1726 -35.1665 -35.1665 -35.1659 -35.1659 -20.4936 -20.4936 -7.2542 -7.2542 -5.3265 -5.3265 -5.2837 -5.2837 -1.6612 -1.6612 0.3794 0.3794 3.2510 3.2510 3.9950 3.9950 5.1702 5.1702 5.7184 5.7184 6.0535 6.0535 8.6353 8.6353 9.1445 9.1445 9.5444 9.5444 10.9605 10.9605 k = 0.0000 0.0000 0.7240 ( 6401 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4572 -35.4572 -35.1744 -35.1744 -35.1728 -35.1728 -35.1664 -35.1664 -35.1658 -35.1658 -20.4932 -20.4932 -7.2555 -7.2555 -5.3269 -5.3269 -5.2858 -5.2858 -1.6574 -1.6574 0.3788 0.3788 3.2871 3.2871 3.9585 3.9585 5.1367 5.1367 5.7090 5.7090 6.0340 6.0340 8.5584 8.5584 9.1019 9.1019 9.5469 9.5469 11.1092 11.1092 k = 0.0000 0.0000 0.7446 ( 6398 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4573 -35.4573 -35.1744 -35.1744 -35.1730 -35.1730 -35.1663 -35.1663 -35.1658 -35.1658 -20.4927 -20.4927 -7.2568 -7.2568 -5.3273 -5.3273 -5.2876 -5.2876 -1.6551 -1.6551 0.3785 0.3785 3.3276 3.3276 3.9247 3.9247 5.0971 5.0971 5.7007 5.7007 6.0146 6.0146 8.4869 8.4869 9.0655 9.0655 9.5587 9.5587 11.2603 11.2603 k = 0.0000 0.0000 0.7653 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4581 -35.4581 -35.4573 -35.4573 -35.1743 -35.1743 -35.1731 -35.1731 -35.1662 -35.1662 -35.1657 -35.1657 -20.4923 -20.4923 -7.2580 -7.2580 -5.3276 -5.3276 -5.2892 -5.2892 -1.6542 -1.6542 0.3787 0.3787 3.3723 3.3723 3.8935 3.8935 5.0517 5.0517 5.6933 5.6933 5.9957 5.9957 8.4209 8.4209 9.0346 9.0346 9.5797 9.5797 11.4133 11.4133 k = 0.0000 0.0000 0.7860 ( 6388 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4581 -35.4581 -35.4574 -35.4574 -35.1743 -35.1743 -35.1733 -35.1733 -35.1661 -35.1661 -35.1657 -35.1657 -20.4919 -20.4919 -7.2590 -7.2590 -5.3279 -5.3279 -5.2904 -5.2904 -1.6544 -1.6544 0.3791 0.3791 3.4209 3.4209 3.8649 3.8649 5.0009 5.0009 5.6869 5.6869 5.9774 5.9774 8.3605 8.3605 9.0085 9.0085 9.6098 9.6098 11.5674 11.5674 k = 0.0000 0.0000 0.8067 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1734 -35.1734 -35.1660 -35.1660 -35.1657 -35.1657 -20.4916 -20.4916 -7.2599 -7.2599 -5.3281 -5.3281 -5.2915 -5.2915 -1.6555 -1.6555 0.3797 0.3797 3.4730 3.4730 3.8391 3.8391 4.9451 4.9451 5.6813 5.6813 5.9600 5.9600 8.3058 8.3058 8.9863 8.9863 9.6484 9.6484 11.7214 11.7214 k = 0.0000 0.0000 0.8274 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4575 -35.4575 -35.1742 -35.1742 -35.1736 -35.1736 -35.1658 -35.1658 -35.1657 -35.1657 -20.4912 -20.4912 -7.2608 -7.2608 -5.3283 -5.3283 -5.2923 -5.2923 -1.6572 -1.6572 0.3804 0.3804 3.5281 3.5281 3.8159 3.8159 4.8852 4.8852 5.6766 5.6766 5.9437 5.9437 8.2568 8.2568 8.9675 8.9675 9.6945 9.6945 11.8611 11.8611 k = 0.0000 0.0000 0.8481 ( 6382 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1742 -35.1742 -35.1737 -35.1737 -35.1658 -35.1658 -35.1657 -35.1657 -20.4910 -20.4910 -7.2615 -7.2615 -5.3285 -5.3285 -5.2929 -5.2929 -1.6593 -1.6593 0.3813 0.3813 3.5857 3.5857 3.7955 3.7955 4.8223 4.8223 5.6726 5.6726 5.9287 5.9287 8.2135 8.2135 8.9515 8.9515 9.7466 9.7466 11.9002 11.9002 k = 0.0000 0.0000 0.8687 ( 6392 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1742 -35.1742 -35.1738 -35.1738 -35.1657 -35.1657 -35.1657 -35.1657 -20.4907 -20.4907 -7.2621 -7.2621 -5.3287 -5.3287 -5.2933 -5.2933 -1.6616 -1.6616 0.3821 0.3821 3.6445 3.6445 3.7780 3.7780 4.7575 4.7575 5.6693 5.6693 5.9152 5.9152 8.1760 8.1760 8.9381 8.9381 9.8025 9.8025 11.9233 11.9233 k = 0.0000 0.0000 0.8894 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1739 -35.1739 -35.1657 -35.1657 -35.1656 -35.1656 -20.4905 -20.4905 -7.2626 -7.2626 -5.3289 -5.3289 -5.2936 -5.2936 -1.6639 -1.6639 0.3830 0.3830 3.7028 3.7028 3.7641 3.7641 4.6926 4.6926 5.6666 5.6666 5.9034 5.9034 8.1443 8.1443 8.9270 8.9270 9.8596 9.8596 11.9368 11.9368 k = 0.0000 0.0000 0.9101 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1739 -35.1739 -35.1656 -35.1656 -35.1656 -35.1656 -20.4903 -20.4903 -7.2630 -7.2630 -5.3291 -5.3291 -5.2937 -5.2937 -1.6661 -1.6661 0.3837 0.3837 3.7430 3.7430 3.7695 3.7695 4.6297 4.6297 5.6646 5.6646 5.8935 5.8935 8.1183 8.1183 8.9180 8.9180 9.9146 9.9146 11.9428 11.9428 k = 0.0000 0.0000 0.9308 ( 6398 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1656 -35.1656 -20.4902 -20.4902 -7.2634 -7.2634 -5.3292 -5.3292 -5.2938 -5.2938 -1.6679 -1.6679 0.3843 0.3843 3.7383 3.7383 3.8183 3.8183 4.5718 4.5718 5.6630 5.6630 5.8856 5.8856 8.0981 8.0981 8.9110 8.9110 9.9636 9.9636 11.9444 11.9444 k = 0.0000 0.0000 0.9515 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4901 -20.4901 -7.2636 -7.2636 -5.3293 -5.3293 -5.2939 -5.2939 -1.6693 -1.6693 0.3848 0.3848 3.7320 3.7320 3.8630 3.8630 4.5234 4.5234 5.6620 5.6620 5.8799 5.8799 8.0837 8.0837 8.9061 8.9061 10.0027 10.0027 11.9439 11.9439 k = 0.0000 0.0000 0.9722 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2637 -7.2637 -5.3294 -5.3294 -5.2939 -5.2939 -1.6702 -1.6702 0.3851 0.3851 3.7281 3.7281 3.8940 3.8940 4.4902 4.4902 5.6614 5.6614 5.8764 5.8764 8.0751 8.0751 8.9032 8.9032 10.0280 10.0280 11.9430 11.9430 k = 0.0000 0.0000 0.9929 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2939 -5.2939 -1.6705 -1.6705 0.3852 0.3852 3.7268 3.7268 3.9053 3.9053 4.4782 4.4782 5.6611 5.6611 5.8753 5.8753 8.0722 8.0722 8.9022 8.9022 10.0367 10.0367 11.9426 11.9426 k = 0.0000 0.0000 0.9929 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2939 -5.2939 -1.6705 -1.6705 0.3852 0.3852 3.7268 3.7268 3.9053 3.9053 4.4782 4.4782 5.6611 5.6611 5.8753 5.8753 8.0722 8.0722 8.9022 8.9022 10.0367 10.0367 11.9426 11.9426 k =-0.0094 0.0162 0.9929 ( 6374 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2940 -5.2940 -1.6697 -1.6697 0.3831 0.3831 3.7310 3.7310 3.9060 3.9060 4.4785 4.4785 5.6584 5.6584 5.8763 5.8763 8.0711 8.0711 8.9044 8.9044 10.0359 10.0359 11.9444 11.9444 k =-0.0189 0.0324 0.9929 ( 6380 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4901 -20.4901 -7.2637 -7.2637 -5.3292 -5.3292 -5.2942 -5.2942 -1.6674 -1.6674 0.3768 0.3768 3.7437 3.7437 3.9084 3.9084 4.4793 4.4793 5.6504 5.6504 5.8793 5.8793 8.0677 8.0677 8.9109 8.9109 10.0336 10.0336 11.9492 11.9492 k =-0.0283 0.0486 0.9929 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4901 -20.4901 -7.2635 -7.2635 -5.3288 -5.3288 -5.2946 -5.2946 -1.6636 -1.6636 0.3665 0.3665 3.7646 3.7646 3.9124 3.9124 4.4807 4.4807 5.6373 5.6373 5.8843 5.8843 8.0622 8.0622 8.9212 8.9212 10.0298 10.0298 11.9546 11.9546 k =-0.0378 0.0648 0.9929 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1657 -35.1657 -35.1655 -35.1655 -20.4903 -20.4903 -7.2633 -7.2633 -5.3284 -5.3284 -5.2952 -5.2952 -1.6583 -1.6583 0.3524 0.3524 3.7936 3.7936 3.9181 3.9181 4.4824 4.4824 5.6198 5.6198 5.8914 5.8914 8.0546 8.0546 8.9347 8.9347 10.0245 10.0245 11.9563 11.9563 k =-0.0472 0.0810 0.9929 ( 6372 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1657 -35.1657 -35.1655 -35.1655 -20.4904 -20.4904 -7.2631 -7.2631 -5.3278 -5.3278 -5.2958 -5.2958 -1.6517 -1.6517 0.3346 0.3346 3.8302 3.8302 3.9254 3.9254 4.4844 4.4844 5.5985 5.5985 5.9004 5.9004 8.0453 8.0453 8.9505 8.9505 10.0178 10.0178 11.9501 11.9501 k =-0.0566 0.0972 0.9929 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1739 -35.1739 -35.1657 -35.1657 -35.1656 -35.1656 -20.4906 -20.4906 -7.2627 -7.2627 -5.3272 -5.3272 -5.2966 -5.2966 -1.6437 -1.6437 0.3135 0.3135 3.8739 3.8739 3.9347 3.9347 4.4864 4.4864 5.5744 5.5744 5.9114 5.9114 8.0343 8.0343 8.9674 8.9674 10.0100 10.0100 11.9366 11.9366 k =-0.0661 0.1133 0.9929 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1741 -35.1741 -35.1738 -35.1738 -35.1658 -35.1658 -35.1656 -35.1656 -20.4908 -20.4908 -7.2623 -7.2623 -5.3264 -5.3264 -5.2974 -5.2974 -1.6346 -1.6346 0.2893 0.2893 3.9218 3.9218 3.9485 3.9485 4.4881 4.4881 5.5483 5.5483 5.9244 5.9244 8.0221 8.0221 8.9845 8.9845 10.0009 10.0009 11.9194 11.9194 k =-0.0755 0.1295 0.9929 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1741 -35.1741 -35.1737 -35.1737 -35.1659 -35.1659 -35.1656 -35.1656 -20.4910 -20.4910 -7.2619 -7.2619 -5.3255 -5.3255 -5.2983 -5.2983 -1.6244 -1.6244 0.2625 0.2625 3.9512 3.9512 3.9892 3.9892 4.4892 4.4892 5.5213 5.5213 5.9394 5.9394 8.0088 8.0088 9.0004 9.0004 9.9909 9.9909 11.9007 11.9007 k =-0.0849 0.1457 0.9929 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1736 -35.1736 -35.1660 -35.1660 -35.1656 -35.1656 -20.4913 -20.4913 -7.2614 -7.2614 -5.3246 -5.3246 -5.2991 -5.2991 -1.6133 -1.6133 0.2334 0.2334 3.9665 3.9665 4.0517 4.0517 4.4895 4.4895 5.4946 5.4946 5.9563 5.9563 7.9949 7.9949 9.0141 9.0141 9.9799 9.9799 11.8807 11.8807 k =-0.0849 0.1457 0.9929 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1736 -35.1736 -35.1660 -35.1660 -35.1656 -35.1656 -20.4913 -20.4913 -7.2614 -7.2614 -5.3246 -5.3246 -5.2991 -5.2991 -1.6133 -1.6133 0.2334 0.2334 3.9665 3.9665 4.0517 4.0517 4.4895 4.4895 5.4946 5.4946 5.9563 5.9563 7.9949 7.9949 9.0141 9.0141 9.9799 9.9799 11.8807 11.8807 k =-0.0924 0.1584 0.9781 ( 6394 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1735 -35.1735 -35.1660 -35.1660 -35.1656 -35.1656 -20.4915 -20.4915 -7.2609 -7.2609 -5.3243 -5.3243 -5.2993 -5.2993 -1.6039 -1.6039 0.2092 0.2092 3.9715 3.9715 4.1064 4.1064 4.4962 4.4962 5.4744 5.4744 5.9716 5.9716 7.9852 7.9852 9.0232 9.0232 9.9663 9.9663 11.8589 11.8589 k =-0.0998 0.1712 0.9634 ( 6398 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1735 -35.1735 -35.1661 -35.1661 -35.1657 -35.1657 -20.4918 -20.4918 -7.2604 -7.2604 -5.3251 -5.3251 -5.2983 -5.2983 -1.5937 -1.5937 0.1840 0.1840 3.9634 3.9634 4.1655 4.1655 4.5168 4.5168 5.4555 5.4555 5.9893 5.9893 7.9786 7.9786 9.0312 9.0312 9.9439 9.9439 11.8217 11.8217 k =-0.1072 0.1839 0.9487 ( 6394 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4581 -35.4581 -35.4574 -35.4574 -35.1742 -35.1742 -35.1733 -35.1733 -35.1662 -35.1662 -35.1657 -35.1657 -20.4920 -20.4920 -7.2598 -7.2598 -5.3270 -5.3270 -5.2960 -5.2960 -1.5829 -1.5829 0.1581 0.1581 3.9440 3.9440 4.2286 4.2286 4.5493 4.5493 5.4380 5.4380 6.0095 6.0095 7.9753 7.9753 9.0375 9.0375 9.9136 9.9136 11.7639 11.7639 k =-0.1146 0.1966 0.9340 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4581 -35.4581 -35.4574 -35.4574 -35.1742 -35.1742 -35.1732 -35.1732 -35.1662 -35.1662 -35.1657 -35.1657 -20.4924 -20.4924 -7.2592 -7.2592 -5.3300 -5.3300 -5.2925 -5.2925 -1.5714 -1.5714 0.1317 0.1317 3.9159 3.9159 4.2949 4.2949 4.5911 4.5911 5.4224 5.4224 6.0323 6.0323 7.9755 7.9755 9.0420 9.0420 9.8770 9.8770 11.6869 11.6869 k =-0.1220 0.2093 0.9193 ( 6388 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4581 -35.4581 -35.4573 -35.4573 -35.1742 -35.1742 -35.1731 -35.1731 -35.1663 -35.1663 -35.1658 -35.1658 -20.4927 -20.4927 -7.2585 -7.2585 -5.3338 -5.3338 -5.2882 -5.2882 -1.5594 -1.5594 0.1050 0.1050 3.8816 3.8816 4.3640 4.3640 4.6397 4.6397 5.4088 5.4088 6.0579 6.0579 7.9795 7.9795 9.0443 9.0443 9.8355 9.8355 11.5965 11.5965 k =-0.1294 0.2220 0.9045 ( 6377 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4581 -35.4581 -35.4573 -35.4573 -35.1741 -35.1741 -35.1730 -35.1730 -35.1664 -35.1664 -35.1658 -35.1658 -20.4931 -20.4931 -7.2578 -7.2578 -5.3380 -5.3380 -5.2831 -5.2831 -1.5470 -1.5470 0.0782 0.0782 3.8432 3.8432 4.4352 4.4352 4.6928 4.6928 5.3975 5.3975 6.0865 6.0865 7.9875 7.9875 9.0443 9.0443 9.7909 9.7909 11.4976 11.4976 k =-0.1368 0.2347 0.8898 ( 6376 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4572 -35.4572 -35.1741 -35.1741 -35.1729 -35.1729 -35.1665 -35.1665 -35.1658 -35.1658 -20.4935 -20.4935 -7.2571 -7.2571 -5.3427 -5.3427 -5.2775 -5.2775 -1.5343 -1.5343 0.0515 0.0515 3.8020 3.8020 4.5078 4.5078 4.7489 4.7489 5.3886 5.3886 6.1183 6.1183 7.9997 7.9997 9.0415 9.0415 9.7446 9.7446 11.3936 11.3936 k =-0.1442 0.2474 0.8751 ( 6374 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4572 -35.4572 -35.1741 -35.1741 -35.1727 -35.1727 -35.1666 -35.1666 -35.1659 -35.1659 -20.4939 -20.4939 -7.2563 -7.2563 -5.3477 -5.3477 -5.2715 -5.2715 -1.5213 -1.5213 0.0251 0.0251 3.7592 3.7592 4.5813 4.5813 4.8069 4.8069 5.3823 5.3823 6.1537 6.1537 8.0164 8.0164 9.0360 9.0360 9.6981 9.6981 11.2869 11.2869 k =-0.1517 0.2602 0.8604 ( 6374 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4572 -35.4572 -35.1740 -35.1740 -35.1726 -35.1726 -35.1666 -35.1666 -35.1660 -35.1660 -20.4943 -20.4943 -7.2556 -7.2556 -5.3529 -5.3529 -5.2652 -5.2652 -1.5083 -1.5083 -0.0010 -0.0010 3.7156 3.7156 4.6547 4.6547 4.8657 4.8657 5.3786 5.3786 6.1930 6.1930 8.0376 8.0376 9.0275 9.0275 9.6526 9.6526 11.1792 11.1792 k =-0.1591 0.2729 0.8457 ( 6374 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4571 -35.4571 -35.1740 -35.1740 -35.1725 -35.1725 -35.1667 -35.1667 -35.1660 -35.1660 -20.4947 -20.4947 -7.2549 -7.2549 -5.3582 -5.3582 -5.2586 -5.2586 -1.4951 -1.4951 -0.0264 -0.0264 3.6717 3.6717 4.7274 4.7274 4.9247 4.9247 5.3776 5.3776 6.2367 6.2367 8.0636 8.0636 9.0160 9.0160 9.6090 9.6090 11.0719 11.0719 k =-0.1665 0.2856 0.8310 ( 6384 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4571 -35.4571 -35.1740 -35.1740 -35.1724 -35.1724 -35.1668 -35.1668 -35.1661 -35.1661 -20.4951 -20.4951 -7.2542 -7.2542 -5.3635 -5.3635 -5.2518 -5.2518 -1.4821 -1.4821 -0.0511 -0.0511 3.6281 3.6281 4.7984 4.7984 4.9831 4.9831 5.3792 5.3792 6.2853 6.2853 8.0946 8.0946 9.0015 9.0015 9.5681 9.5681 10.9665 10.9665 k =-0.1739 0.2983 0.8162 ( 6389 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4571 -35.4571 -35.1739 -35.1739 -35.1722 -35.1722 -35.1669 -35.1669 -35.1662 -35.1662 -20.4955 -20.4955 -7.2535 -7.2535 -5.3688 -5.3688 -5.2448 -5.2448 -1.4692 -1.4692 -0.0750 -0.0750 3.5852 3.5852 4.8671 4.8671 5.0405 5.0405 5.3835 5.3835 6.3392 6.3392 8.1305 8.1305 8.9842 8.9842 9.5302 9.5302 10.8641 10.8641 k =-0.1813 0.3110 0.8015 ( 6386 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4570 -35.4570 -35.1739 -35.1739 -35.1721 -35.1721 -35.1670 -35.1670 -35.1663 -35.1663 -20.4959 -20.4959 -7.2529 -7.2529 -5.3741 -5.3741 -5.2379 -5.2379 -1.4565 -1.4565 -0.0980 -0.0980 3.5432 3.5432 4.9326 4.9326 5.0962 5.0962 5.3904 5.3904 6.3990 6.3990 8.1715 8.1715 8.9643 8.9643 9.4955 9.4955 10.7660 10.7660 k =-0.1887 0.3237 0.7868 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4583 -35.4583 -35.4570 -35.4570 -35.1738 -35.1738 -35.1719 -35.1719 -35.1671 -35.1671 -35.1664 -35.1664 -20.4964 -20.4964 -7.2522 -7.2522 -5.3793 -5.3793 -5.2309 -5.2309 -1.4442 -1.4442 -0.1199 -0.1199 3.5026 3.5026 4.9941 4.9941 5.1499 5.1499 5.3997 5.3997 6.4650 6.4650 8.2175 8.2175 8.9422 8.9422 9.4640 9.4640 10.6728 10.6728 k =-0.1961 0.3365 0.7721 ( 6387 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4583 -35.4583 -35.4570 -35.4570 -35.1738 -35.1738 -35.1718 -35.1718 -35.1672 -35.1672 -35.1665 -35.1665 -20.4968 -20.4968 -7.2516 -7.2516 -5.3843 -5.3843 -5.2241 -5.2241 -1.4324 -1.4324 -0.1406 -0.1406 3.4635 3.4635 5.0512 5.0512 5.2008 5.2008 5.4114 5.4114 6.5375 6.5375 8.2686 8.2686 8.9184 8.9184 9.4353 9.4353 10.5827 10.5827 k =-0.2035 0.3492 0.7574 ( 6384 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4569 -35.4569 -35.1738 -35.1738 -35.1717 -35.1717 -35.1673 -35.1673 -35.1666 -35.1666 -20.4972 -20.4972 -7.2511 -7.2511 -5.3891 -5.3891 -5.2174 -5.2174 -1.4211 -1.4211 -0.1601 -0.1601 3.4264 3.4264 5.1035 5.1035 5.2486 5.2486 5.4253 5.4253 6.6166 6.6166 8.3248 8.3248 8.8932 8.8932 9.4092 9.4092 10.4467 10.4467 k =-0.2109 0.3619 0.7427 ( 6387 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4569 -35.4569 -35.1737 -35.1737 -35.1715 -35.1715 -35.1674 -35.1674 -35.1666 -35.1666 -20.4975 -20.4975 -7.2506 -7.2506 -5.3937 -5.3937 -5.2110 -5.2110 -1.4104 -1.4104 -0.1783 -0.1783 3.3912 3.3912 5.1507 5.1507 5.2925 5.2925 5.4414 5.4414 6.7022 6.7022 8.3858 8.3858 8.8674 8.8674 9.3852 9.3852 10.2823 10.2823 k =-0.2184 0.3746 0.7279 ( 6379 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4569 -35.4569 -35.1737 -35.1737 -35.1714 -35.1714 -35.1675 -35.1675 -35.1667 -35.1667 -20.4979 -20.4979 -7.2501 -7.2501 -5.3980 -5.3980 -5.2048 -5.2048 -1.4003 -1.4003 -0.1951 -0.1951 3.3584 3.3584 5.1928 5.1928 5.3321 5.3321 5.4595 5.4595 6.7940 6.7940 8.4515 8.4515 8.8414 8.8414 9.3628 9.3628 10.1173 10.1173 k =-0.2258 0.3873 0.7132 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4569 -35.4569 -35.1736 -35.1736 -35.1713 -35.1713 -35.1676 -35.1676 -35.1668 -35.1668 -20.4982 -20.4982 -7.2497 -7.2497 -5.4020 -5.4020 -5.1990 -5.1990 -1.3910 -1.3910 -0.2104 -0.2104 3.3281 3.3281 5.2299 5.2299 5.3668 5.3668 5.4794 5.4794 6.8912 6.8912 8.5215 8.5215 8.8157 8.8157 9.3419 9.3419 9.9539 9.9539 k =-0.2332 0.4000 0.6985 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1736 -35.1736 -35.1712 -35.1712 -35.1676 -35.1676 -35.1669 -35.1669 -20.4985 -20.4985 -7.2494 -7.2494 -5.4056 -5.4056 -5.1936 -5.1936 -1.3826 -1.3826 -0.2243 -0.2243 3.3005 3.3005 5.2622 5.2622 5.3965 5.3965 5.5005 5.5005 6.9931 6.9931 8.5953 8.5953 8.7912 8.7912 9.3222 9.3222 9.7937 9.7937 k =-0.2406 0.4127 0.6838 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1735 -35.1735 -35.1710 -35.1710 -35.1677 -35.1677 -35.1670 -35.1670 -20.4988 -20.4988 -7.2490 -7.2490 -5.4089 -5.4089 -5.1887 -5.1887 -1.3750 -1.3750 -0.2367 -0.2367 3.2757 3.2757 5.2899 5.2899 5.4215 5.4215 5.5221 5.5221 7.0984 7.0984 8.6711 8.6711 8.7695 8.7695 9.3036 9.3036 9.6385 9.6385 k =-0.2480 0.4255 0.6691 ( 6389 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1735 -35.1735 -35.1710 -35.1710 -35.1677 -35.1677 -35.1671 -35.1671 -20.4990 -20.4990 -7.2488 -7.2488 -5.4118 -5.4118 -5.1844 -5.1844 -1.3683 -1.3683 -0.2474 -0.2474 3.2539 3.2539 5.3133 5.3133 5.4422 5.4422 5.5429 5.5429 7.2053 7.2053 8.7277 8.7277 8.7708 8.7708 9.2864 9.2864 9.4913 9.4913 k =-0.2554 0.4382 0.6544 ( 6392 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1735 -35.1735 -35.1709 -35.1709 -35.1678 -35.1678 -35.1672 -35.1672 -20.4992 -20.4992 -7.2485 -7.2485 -5.4143 -5.4143 -5.1806 -5.1806 -1.3625 -1.3625 -0.2566 -0.2566 3.2353 3.2353 5.3327 5.3327 5.4592 5.4592 5.5621 5.5621 7.3115 7.3115 8.7190 8.7190 8.8390 8.8390 9.2697 9.2697 9.3583 9.3583 k =-0.2628 0.4509 0.6396 ( 6392 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1708 -35.1708 -35.1678 -35.1678 -35.1673 -35.1673 -20.4994 -20.4994 -7.2483 -7.2483 -5.4164 -5.4164 -5.1774 -5.1774 -1.3578 -1.3578 -0.2641 -0.2641 3.2198 3.2198 5.3482 5.3482 5.4729 5.4729 5.5786 5.5786 7.4136 7.4136 8.7032 8.7032 8.9069 8.9069 9.2361 9.2361 9.2694 9.2694 k =-0.2702 0.4636 0.6249 ( 6387 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1707 -35.1707 -35.1679 -35.1679 -35.1673 -35.1673 -20.4995 -20.4995 -7.2482 -7.2482 -5.4180 -5.4180 -5.1750 -5.1750 -1.3541 -1.3541 -0.2700 -0.2700 3.2077 3.2077 5.3600 5.3600 5.4835 5.4835 5.5920 5.5920 7.5066 7.5066 8.6897 8.6897 8.9369 8.9369 9.1918 9.1918 9.2521 9.2521 k =-0.2776 0.4763 0.6102 ( 6383 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1706 -35.1706 -35.1679 -35.1679 -35.1674 -35.1674 -20.4996 -20.4996 -7.2481 -7.2481 -5.4192 -5.4192 -5.1731 -5.1731 -1.3514 -1.3514 -0.2742 -0.2742 3.1991 3.1991 5.3683 5.3683 5.4910 5.4910 5.6018 5.6018 7.5836 7.5836 8.6794 8.6794 8.9071 8.9071 9.2262 9.2262 9.2444 9.2444 k =-0.2851 0.4890 0.5955 ( 6383 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1706 -35.1706 -35.1679 -35.1679 -35.1674 -35.1674 -20.4997 -20.4997 -7.2480 -7.2480 -5.4199 -5.4199 -5.1721 -5.1721 -1.3498 -1.3498 -0.2768 -0.2768 3.1938 3.1938 5.3732 5.3732 5.4956 5.4956 5.6078 5.6078 7.6357 7.6357 8.6730 8.6730 8.8653 8.8653 9.2382 9.2382 9.3047 9.3047 k =-0.2925 0.5017 0.5808 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1706 -35.1706 -35.1679 -35.1679 -35.1674 -35.1674 -20.4997 -20.4997 -7.2480 -7.2480 -5.4201 -5.4201 -5.1717 -5.1717 -1.3493 -1.3493 -0.2776 -0.2776 3.1921 3.1921 5.3748 5.3748 5.4970 5.4970 5.6099 5.6099 7.6544 7.6544 8.6709 8.6709 8.8481 8.8481 9.2367 9.2367 9.3640 9.3640 k =-0.2925 0.5017 0.5808 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1706 -35.1706 -35.1679 -35.1679 -35.1674 -35.1674 -20.4997 -20.4997 -7.2480 -7.2480 -5.4201 -5.4201 -5.1717 -5.1717 -1.3493 -1.3493 -0.2776 -0.2776 3.1921 3.1921 5.3748 5.3748 5.4970 5.4970 5.6099 5.6099 7.6544 7.6544 8.6709 8.6709 8.8481 8.8481 9.2367 9.2367 9.3640 9.3640 k =-0.2852 0.4892 0.5662 ( 6389 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4583 -35.4583 -35.4569 -35.4569 -35.1731 -35.1731 -35.1709 -35.1709 -35.1679 -35.1679 -35.1675 -35.1675 -20.4995 -20.4995 -7.2490 -7.2490 -5.4233 -5.4233 -5.1706 -5.1706 -1.3506 -1.3506 -0.2473 -0.2473 3.1590 3.1590 5.3271 5.3271 5.4466 5.4466 5.6129 5.6129 7.5952 7.5952 8.7340 8.7340 8.8028 8.8028 9.2863 9.2863 9.4402 9.4402 k =-0.2778 0.4767 0.5517 ( 6393 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4581 -35.4581 -35.4571 -35.4571 -35.1729 -35.1729 -35.1711 -35.1711 -35.1678 -35.1678 -35.1675 -35.1675 -20.4993 -20.4993 -7.2498 -7.2498 -5.4259 -5.4259 -5.1696 -5.1696 -1.3552 -1.3552 -0.2164 -0.2164 3.1318 3.1318 5.2823 5.2823 5.3953 5.3953 5.6192 5.6192 7.5322 7.5322 8.7487 8.7487 8.8092 8.8092 9.3391 9.3391 9.5138 9.5138 k =-0.2705 0.4641 0.5372 ( 6393 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4580 -35.4580 -35.4572 -35.4572 -35.1727 -35.1727 -35.1714 -35.1714 -35.1678 -35.1678 -35.1675 -35.1675 -20.4992 -20.4992 -7.2504 -7.2504 -5.4277 -5.4277 -5.1686 -5.1686 -1.3632 -1.3632 -0.1848 -0.1848 3.1101 3.1101 5.2406 5.2406 5.3446 5.3446 5.6279 5.6279 7.4662 7.4662 8.7116 8.7116 8.8713 8.8713 9.3935 9.3935 9.5772 9.5772 k =-0.2632 0.4516 0.5227 ( 6391 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4574 -35.4574 -35.1724 -35.1724 -35.1716 -35.1716 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2507 -7.2507 -5.4288 -5.4288 -5.1677 -5.1677 -1.3745 -1.3745 -0.1527 -0.1527 3.0938 3.0938 5.2018 5.2018 5.2954 5.2954 5.6390 5.6390 7.3981 7.3981 8.6757 8.6757 8.9361 8.9361 9.4479 9.4479 9.6359 9.6359 k =-0.2559 0.4390 0.5082 ( 6387 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4575 -35.4575 -35.1722 -35.1722 -35.1718 -35.1718 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2508 -7.2508 -5.4293 -5.4293 -5.1670 -5.1670 -1.3891 -1.3891 -0.1202 -0.1202 3.0826 3.0826 5.1661 5.1661 5.2483 5.2483 5.6524 5.6524 7.3286 7.3286 8.6433 8.6433 9.0015 9.0015 9.5005 9.5005 9.6978 9.6978 k =-0.2486 0.4265 0.4937 ( 6381 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1720 -35.1720 -35.1720 -35.1720 -35.1676 -35.1676 -35.1676 -35.1676 -20.4991 -20.4991 -7.2506 -7.2506 -5.4289 -5.4289 -5.1663 -5.1663 -1.4070 -1.4070 -0.0874 -0.0874 3.0759 3.0759 5.1334 5.1334 5.2042 5.2042 5.6681 5.6681 7.2583 7.2583 8.6147 8.6147 9.0672 9.0672 9.5495 9.5495 9.7642 9.7642 k =-0.2413 0.4139 0.4791 ( 6385 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4578 -35.4578 -35.4574 -35.4574 -35.1723 -35.1723 -35.1717 -35.1717 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2502 -7.2502 -5.4279 -5.4279 -5.1658 -5.1658 -1.4280 -1.4280 -0.0542 -0.0542 3.0734 3.0734 5.1035 5.1035 5.1640 5.1640 5.6861 5.6861 7.1878 7.1878 8.5897 8.5897 9.1327 9.1327 9.5932 9.5932 9.8351 9.8351 k =-0.2340 0.4014 0.4646 ( 6381 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4573 -35.4573 -35.1725 -35.1725 -35.1715 -35.1715 -35.1677 -35.1677 -35.1675 -35.1675 -20.4992 -20.4992 -7.2494 -7.2494 -5.4260 -5.4260 -5.1654 -5.1654 -1.4519 -1.4519 -0.0209 -0.0209 3.0744 3.0744 5.0762 5.0762 5.1287 5.1287 5.7064 5.7064 7.1175 7.1175 8.5684 8.5684 9.1974 9.1974 9.6302 9.6302 9.9102 9.9102 k =-0.2267 0.3889 0.4501 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4581 -35.4581 -35.4571 -35.4571 -35.1728 -35.1728 -35.1712 -35.1712 -35.1678 -35.1678 -35.1675 -35.1675 -20.4993 -20.4993 -7.2485 -7.2485 -5.4235 -5.4235 -5.1651 -5.1651 -1.4786 -1.4786 0.0124 0.0124 3.0784 3.0784 5.0513 5.0513 5.0992 5.0992 5.7291 5.7291 7.0478 7.0478 8.5508 8.5508 9.2599 9.2599 9.6596 9.6596 9.9890 9.9890 k =-0.2194 0.3763 0.4356 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4570 -35.4570 -35.1730 -35.1730 -35.1710 -35.1710 -35.1678 -35.1678 -35.1675 -35.1675 -20.4995 -20.4995 -7.2473 -7.2473 -5.4202 -5.4202 -5.1650 -5.1650 -1.5078 -1.5078 0.0458 0.0458 3.0846 3.0846 5.0290 5.0290 5.0761 5.0761 5.7541 5.7541 6.9789 6.9789 8.5366 8.5366 9.3177 9.3177 9.6821 9.6821 10.0714 10.0714 k =-0.2120 0.3638 0.4211 ( 6377 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4583 -35.4583 -35.4569 -35.4569 -35.1733 -35.1733 -35.1707 -35.1707 -35.1679 -35.1679 -35.1674 -35.1674 -20.4997 -20.4997 -7.2458 -7.2458 -5.4161 -5.4161 -5.1649 -5.1649 -1.5393 -1.5393 0.0790 0.0790 3.0923 3.0923 5.0101 5.0101 5.0592 5.0592 5.7815 5.7815 6.9112 6.9112 8.5259 8.5259 9.3660 9.3660 9.7012 9.7012 10.1569 10.1569 k =-0.2047 0.3512 0.4065 ( 6383 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4585 -35.4585 -35.4567 -35.4567 -35.1735 -35.1735 -35.1705 -35.1705 -35.1679 -35.1679 -35.1674 -35.1674 -20.4999 -20.4999 -7.2441 -7.2441 -5.4114 -5.4114 -5.1650 -5.1650 -1.5729 -1.5729 0.1120 0.1120 3.1007 3.1007 4.9958 4.9958 5.0482 5.0482 5.8112 5.8112 6.8449 6.8449 8.5185 8.5185 9.3975 9.3975 9.7236 9.7236 10.2453 10.2453 k =-0.1974 0.3387 0.3920 ( 6375 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4586 -35.4586 -35.4566 -35.4566 -35.1737 -35.1737 -35.1703 -35.1703 -35.1679 -35.1679 -35.1673 -35.1673 -20.5002 -20.5002 -7.2422 -7.2422 -5.4060 -5.4060 -5.1651 -5.1651 -1.6084 -1.6084 0.1446 0.1446 3.1091 3.1091 4.9873 4.9873 5.0427 5.0427 5.8432 5.8432 6.7801 6.7801 8.5143 8.5143 9.4046 9.4046 9.7572 9.7572 10.3362 10.3362 k =-0.1901 0.3261 0.3775 ( 6363 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4587 -35.4587 -35.4564 -35.4564 -35.1739 -35.1739 -35.1700 -35.1700 -35.1680 -35.1680 -35.1672 -35.1672 -20.5005 -20.5005 -7.2402 -7.2402 -5.4000 -5.4000 -5.1653 -5.1653 -1.6454 -1.6454 0.1768 0.1768 3.1169 3.1169 4.9852 4.9852 5.0425 5.0425 5.8774 5.8774 6.7169 6.7169 8.5131 8.5131 9.3851 9.3851 9.8053 9.8053 10.4295 10.4295 k =-0.1828 0.3136 0.3630 ( 6363 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4589 -35.4589 -35.4563 -35.4563 -35.1742 -35.1742 -35.1698 -35.1698 -35.1680 -35.1680 -35.1672 -35.1672 -20.5008 -20.5008 -7.2379 -7.2379 -5.3933 -5.3933 -5.1655 -5.1655 -1.6837 -1.6837 0.2084 0.2084 3.1233 3.1233 4.9900 4.9900 5.0478 5.0478 5.9138 5.9138 6.6556 6.6556 8.5148 8.5148 9.3433 9.3433 9.8652 9.8652 10.5248 10.5248 k =-0.1755 0.3010 0.3485 ( 6365 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4590 -35.4590 -35.4562 -35.4562 -35.1744 -35.1744 -35.1696 -35.1696 -35.1681 -35.1681 -35.1672 -35.1672 -20.5012 -20.5012 -7.2355 -7.2355 -5.3861 -5.3861 -5.1658 -5.1658 -1.7230 -1.7230 0.2393 0.2393 3.1278 3.1278 5.0013 5.0013 5.0593 5.0593 5.9523 5.9523 6.5962 6.5962 8.5192 8.5192 9.2850 9.2850 9.9329 9.9329 10.6219 10.6219 k =-0.1682 0.2885 0.3339 ( 6377 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4591 -35.4591 -35.4560 -35.4560 -35.1746 -35.1746 -35.1694 -35.1694 -35.1681 -35.1681 -35.1671 -35.1671 -20.5016 -20.5016 -7.2330 -7.2330 -5.3785 -5.3785 -5.1660 -5.1660 -1.7632 -1.7632 0.2695 0.2695 3.1300 3.1300 5.0185 5.0185 5.0779 5.0779 5.9928 5.9928 6.5388 6.5388 8.5262 8.5262 9.2151 9.2151 10.0052 10.0052 10.7203 10.7203 k =-0.1609 0.2760 0.3194 ( 6373 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4593 -35.4593 -35.4559 -35.4559 -35.1748 -35.1748 -35.1691 -35.1691 -35.1681 -35.1681 -35.1671 -35.1671 -20.5020 -20.5020 -7.2303 -7.2303 -5.3704 -5.3704 -5.1661 -5.1661 -1.8039 -1.8039 0.2988 0.2988 3.1298 3.1298 5.0401 5.0401 5.1051 5.1051 6.0352 6.0352 6.4835 6.4835 8.5355 8.5355 9.1373 9.1373 10.0800 10.0800 10.8197 10.8197 k =-0.1535 0.2634 0.3049 ( 6381 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4594 -35.4594 -35.4558 -35.4558 -35.1750 -35.1750 -35.1690 -35.1690 -35.1682 -35.1682 -35.1671 -35.1671 -20.5024 -20.5024 -7.2276 -7.2276 -5.3620 -5.3620 -5.1661 -5.1661 -1.8449 -1.8449 0.3271 0.3271 3.1269 3.1269 5.0651 5.0651 5.1419 5.1419 6.0793 6.0793 6.4304 6.4304 8.5470 8.5470 9.0543 9.0543 10.1559 10.1559 10.9196 10.9196 k =-0.1462 0.2509 0.2904 ( 6379 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4595 -35.4595 -35.4557 -35.4557 -35.1752 -35.1752 -35.1688 -35.1688 -35.1682 -35.1682 -35.1670 -35.1670 -20.5028 -20.5028 -7.2248 -7.2248 -5.3533 -5.3533 -5.1659 -5.1659 -1.8859 -1.8859 0.3543 0.3543 3.1216 3.1216 5.0928 5.0928 5.1885 5.1885 6.1251 6.1251 6.3794 6.3794 8.5605 8.5605 8.9681 8.9681 10.2316 10.2316 11.0180 11.0180 k =-0.1389 0.2383 0.2759 ( 6373 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4596 -35.4596 -35.4556 -35.4556 -35.1754 -35.1754 -35.1685 -35.1685 -35.1682 -35.1682 -35.1670 -35.1670 -20.5033 -20.5033 -7.2220 -7.2220 -5.3446 -5.3446 -5.1654 -5.1654 -1.9267 -1.9267 0.3804 0.3804 3.1138 3.1138 5.1234 5.1234 5.2444 5.2444 6.1723 6.1723 6.3308 6.3308 8.5757 8.5757 8.8803 8.8803 10.3060 10.3060 11.0745 11.0745 k =-0.1316 0.2258 0.2613 ( 6375 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4597 -35.4597 -35.4555 -35.4555 -35.1756 -35.1756 -35.1684 -35.1684 -35.1683 -35.1683 -35.1669 -35.1669 -20.5037 -20.5037 -7.2191 -7.2191 -5.3358 -5.3358 -5.1647 -5.1647 -1.9672 -1.9672 0.4053 0.4053 3.1039 3.1039 5.1570 5.1570 5.3088 5.3088 6.2208 6.2208 6.2844 6.2844 8.5924 8.5924 8.7920 8.7920 10.3776 10.3776 10.9844 10.9844 k =-0.1243 0.2132 0.2468 ( 6365 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4598 -35.4598 -35.4553 -35.4553 -35.1757 -35.1757 -35.1683 -35.1683 -35.1682 -35.1682 -35.1669 -35.1669 -20.5042 -20.5042 -7.2163 -7.2163 -5.3272 -5.3272 -5.1635 -5.1635 -2.0070 -2.0070 0.4290 0.4290 3.0922 3.0922 5.1938 5.1938 5.3809 5.3809 6.2403 6.2403 6.2704 6.2704 8.6102 8.6102 8.7043 8.7043 10.4441 10.4441 10.8451 10.8451 k =-0.1170 0.2007 0.2323 ( 6377 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4599 -35.4599 -35.4553 -35.4553 -35.1759 -35.1759 -35.1683 -35.1683 -35.1680 -35.1680 -35.1669 -35.1669 -20.5047 -20.5047 -7.2135 -7.2135 -5.3188 -5.3188 -5.1619 -5.1619 -2.0459 -2.0459 0.4514 0.4514 3.0791 3.0791 5.2336 5.2336 5.4599 5.4599 6.1988 6.1988 6.3206 6.3206 8.6147 8.6147 8.6321 8.6321 10.5006 10.5006 10.6912 10.6912 k =-0.1097 0.1882 0.2178 ( 6375 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4600 -35.4600 -35.4552 -35.4552 -35.1761 -35.1761 -35.1684 -35.1684 -35.1678 -35.1678 -35.1669 -35.1669 -20.5051 -20.5051 -7.2108 -7.2108 -5.3109 -5.3109 -5.1598 -5.1598 -2.0838 -2.0838 0.4724 0.4724 3.0649 3.0649 5.2764 5.2764 5.5450 5.5450 6.1596 6.1596 6.3714 6.3714 8.5317 8.5317 8.6498 8.6498 10.5035 10.5035 10.5717 10.5717 k =-0.1024 0.1756 0.2033 ( 6379 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4601 -35.4601 -35.4551 -35.4551 -35.1762 -35.1762 -35.1684 -35.1684 -35.1677 -35.1677 -35.1668 -35.1668 -20.5055 -20.5055 -7.2082 -7.2082 -5.3034 -5.3034 -5.1571 -5.1571 -2.1204 -2.1204 0.4921 0.4921 3.0500 3.0500 5.3219 5.3219 5.6355 5.6355 6.1229 6.1229 6.4224 6.4224 8.4488 8.4488 8.6701 8.6701 10.3583 10.3583 10.5745 10.5745 k =-0.0951 0.1631 0.1887 ( 6389 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4602 -35.4602 -35.4550 -35.4550 -35.1764 -35.1764 -35.1684 -35.1684 -35.1675 -35.1675 -35.1668 -35.1668 -20.5060 -20.5060 -7.2056 -7.2056 -5.2967 -5.2967 -5.1539 -5.1539 -2.1555 -2.1555 0.5103 0.5103 3.0347 3.0347 5.3697 5.3697 5.7306 5.7306 6.0887 6.0887 6.4732 6.4732 8.3680 8.3680 8.6906 8.6906 10.2018 10.2018 10.5499 10.5499 k =-0.0877 0.1505 0.1742 ( 6389 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4603 -35.4603 -35.4549 -35.4549 -35.1765 -35.1765 -35.1685 -35.1685 -35.1674 -35.1674 -35.1668 -35.1668 -20.5064 -20.5064 -7.2032 -7.2032 -5.2907 -5.2907 -5.1500 -5.1500 -2.1890 -2.1890 0.5272 0.5272 3.0194 3.0194 5.4194 5.4194 5.8295 5.8295 6.0570 6.0570 6.5236 6.5236 8.2896 8.2896 8.7111 8.7111 10.0487 10.0487 10.4813 10.4813 k =-0.0804 0.1380 0.1597 ( 6391 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4604 -35.4604 -35.4548 -35.4548 -35.1766 -35.1766 -35.1685 -35.1685 -35.1673 -35.1673 -35.1667 -35.1667 -20.5068 -20.5068 -7.2009 -7.2009 -5.2854 -5.2854 -5.1457 -5.1457 -2.2207 -2.2207 0.5427 0.5427 3.0043 3.0043 5.4704 5.4704 5.9313 5.9313 6.0279 6.0279 6.5730 6.5730 8.2135 8.2135 8.7314 8.7314 9.9012 9.9012 10.3826 10.3826 k =-0.0731 0.1254 0.1452 ( 6385 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4604 -35.4604 -35.4547 -35.4547 -35.1767 -35.1767 -35.1685 -35.1685 -35.1671 -35.1671 -35.1667 -35.1667 -20.5072 -20.5072 -7.1987 -7.1987 -5.2809 -5.2809 -5.1409 -5.1409 -2.2502 -2.2502 0.5567 0.5567 2.9897 2.9897 5.5221 5.5221 6.0008 6.0008 6.0360 6.0360 6.6213 6.6213 8.1398 8.1398 8.7510 8.7510 9.7605 9.7605 10.2696 10.2696 k =-0.0658 0.1129 0.1307 ( 6393 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4605 -35.4605 -35.4547 -35.4547 -35.1769 -35.1769 -35.1686 -35.1686 -35.1670 -35.1670 -35.1667 -35.1667 -20.5075 -20.5075 -7.1968 -7.1968 -5.2772 -5.2772 -5.1359 -5.1359 -2.2776 -2.2776 0.5694 0.5694 2.9759 2.9759 5.5736 5.5736 5.9771 5.9771 6.1409 6.1409 6.6679 6.6679 8.0682 8.0682 8.7696 8.7696 9.6280 9.6280 10.1521 10.1521 k =-0.0585 0.1003 0.1162 ( 6385 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1769 -35.1769 -35.1686 -35.1686 -35.1669 -35.1669 -35.1666 -35.1666 -20.5078 -20.5078 -7.1949 -7.1949 -5.2741 -5.2741 -5.1307 -5.1307 -2.3026 -2.3026 0.5807 0.5807 2.9630 2.9630 5.6240 5.6240 5.9559 5.9559 6.2460 6.2460 6.7125 6.7125 7.9986 7.9986 8.7871 8.7871 9.5047 9.5047 10.0359 10.0359 k =-0.0512 0.0878 0.1016 ( 6385 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1770 -35.1770 -35.1686 -35.1686 -35.1669 -35.1669 -35.1666 -35.1666 -20.5081 -20.5081 -7.1933 -7.1933 -5.2716 -5.2716 -5.1256 -5.1256 -2.3251 -2.3251 0.5905 0.5905 2.9512 2.9512 5.6723 5.6723 5.9374 5.9374 6.3495 6.3495 6.7550 6.7550 7.9307 7.9307 8.8031 8.8031 9.3919 9.3919 9.9248 9.9248 k =-0.0439 0.0753 0.0871 ( 6389 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1771 -35.1771 -35.1686 -35.1686 -35.1668 -35.1668 -35.1666 -35.1666 -20.5084 -20.5084 -7.1919 -7.1919 -5.2697 -5.2697 -5.1208 -5.1208 -2.3449 -2.3449 0.5991 0.5991 2.9407 2.9407 5.7173 5.7173 5.9218 5.9218 6.4493 6.4493 6.7953 6.7953 7.8646 7.8646 8.8171 8.8171 9.2909 9.2909 9.8217 9.8217 k =-0.0366 0.0627 0.0726 ( 6397 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1668 -35.1668 -35.1666 -35.1666 -20.5086 -20.5086 -7.1907 -7.1907 -5.2682 -5.2682 -5.1164 -5.1164 -2.3618 -2.3618 0.6063 0.6063 2.9316 2.9316 5.7573 5.7573 5.9095 5.9095 6.5427 6.5427 6.8339 6.8339 7.8004 7.8004 8.8290 8.8290 9.2030 9.2030 9.7294 9.7294 k =-0.0292 0.0502 0.0581 ( 6389 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5088 -20.5088 -7.1897 -7.1897 -5.2671 -5.2671 -5.1126 -5.1126 -2.3759 -2.3759 0.6121 0.6121 2.9240 2.9240 5.7908 5.7908 5.9009 5.9009 6.6257 6.6257 6.8715 6.8715 7.7391 7.7391 8.8382 8.8382 9.1298 9.1298 9.6500 9.6500 k =-0.0219 0.0376 0.0436 ( 6383 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5089 -20.5089 -7.1889 -7.1889 -5.2663 -5.2663 -5.1095 -5.1095 -2.3869 -2.3869 0.6166 0.6166 2.9180 2.9180 5.8158 5.8158 5.8969 5.8969 6.6935 6.6935 6.9090 6.9090 7.6826 7.6826 8.8446 8.8446 9.0724 9.0724 9.5858 9.5858 k =-0.0146 0.0251 0.0290 ( 6369 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5090 -20.5090 -7.1883 -7.1883 -5.2657 -5.2657 -5.1072 -5.1072 -2.3949 -2.3949 0.6199 0.6199 2.9137 2.9137 5.8309 5.8309 5.8976 5.8976 6.7418 6.7418 6.9448 6.9448 7.6348 7.6348 8.8480 8.8480 9.0318 9.0318 9.5384 9.5384 k =-0.0073 0.0125 0.0145 ( 6375 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1880 -7.1880 -5.2654 -5.2654 -5.1058 -5.1058 -2.3997 -2.3997 0.6218 0.6218 2.9111 2.9111 5.8378 5.8378 5.9006 5.9006 6.7696 6.7696 6.9727 6.9727 7.6015 7.6015 8.8491 8.8491 9.0081 9.0081 9.5094 9.5094 k = 0.0000 0.0000 0.0000 ( 6371 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1879 -7.1879 -5.2653 -5.2653 -5.1053 -5.1053 -2.4013 -2.4013 0.6225 0.6225 2.9102 2.9102 5.8395 5.8395 5.9022 5.9022 6.7786 6.7786 6.9834 6.9834 7.5894 7.5894 8.8492 8.8492 9.0004 9.0004 9.4996 9.4996 k = 0.0000 0.0000 0.0000 ( 6371 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1879 -7.1879 -5.2653 -5.2653 -5.1053 -5.1053 -2.4013 -2.4013 0.6225 0.6225 2.9102 2.9102 5.8395 5.8395 5.9022 5.9022 6.7786 6.7786 6.9834 6.9834 7.5894 7.5894 8.8492 8.8492 9.0004 9.0004 9.4996 9.4996 k = 0.0179 0.0104 0.0000 ( 6363 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4608 -35.4608 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1879 -7.1879 -5.2655 -5.2655 -5.1053 -5.1053 -2.3999 -2.3999 0.6165 0.6165 2.9190 2.9190 5.8386 5.8386 5.9018 5.9018 6.7811 6.7811 6.9855 6.9855 7.5861 7.5861 8.8290 8.8290 9.0063 9.0063 9.5178 9.5178 k = 0.0357 0.0208 0.0000 ( 6355 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1881 -7.1881 -5.2661 -5.2661 -5.1053 -5.1053 -2.3957 -2.3957 0.5990 0.5990 2.9451 2.9451 5.8359 5.8359 5.9004 5.9004 6.7887 6.7887 6.9917 6.9917 7.5764 7.5764 8.7743 8.7743 9.0241 9.0241 9.5663 9.5663 k = 0.0536 0.0312 0.0000 ( 6355 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1883 -7.1883 -5.2671 -5.2671 -5.1054 -5.1054 -2.3889 -2.3889 0.5707 0.5707 2.9876 2.9876 5.8314 5.8314 5.8982 5.8982 6.8011 6.8011 7.0019 7.0019 7.5607 7.5607 8.6967 8.6967 9.0531 9.0531 9.6334 9.6334 k = 0.0714 0.0416 0.0000 ( 6351 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5091 -20.5091 -7.1887 -7.1887 -5.2684 -5.2684 -5.1055 -5.1055 -2.3793 -2.3793 0.5328 0.5328 3.0453 3.0453 5.8253 5.8253 5.8953 5.8953 6.8182 6.8182 7.0160 7.0160 7.5399 7.5399 8.6059 8.6059 9.0926 9.0926 9.7097 9.7097 k = 0.0893 0.0520 0.0000 ( 6358 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1666 -35.1666 -35.1665 -35.1665 -20.5090 -20.5090 -7.1891 -7.1891 -5.2702 -5.2702 -5.1056 -5.1056 -2.3671 -2.3671 0.4866 0.4866 3.1170 3.1170 5.8180 5.8180 5.8917 5.8917 6.8397 6.8397 7.0339 7.0339 7.5149 7.5149 8.5078 8.5078 9.1417 9.1417 9.7891 9.7891 k = 0.1071 0.0625 0.0000 ( 6370 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5090 -20.5090 -7.1896 -7.1896 -5.2722 -5.2722 -5.1058 -5.1058 -2.3523 -2.3523 0.4336 0.4336 3.2011 3.2011 5.8095 5.8095 5.8874 5.8874 6.8653 6.8653 7.0554 7.0554 7.4865 7.4865 8.4062 8.4062 9.1995 9.1995 9.8679 9.8679 k = 0.1250 0.0729 0.0000 ( 6378 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5090 -20.5090 -7.1902 -7.1902 -5.2746 -5.2746 -5.1059 -5.1059 -2.3350 -2.3350 0.3751 0.3751 3.2961 3.2961 5.8002 5.8002 5.8828 5.8828 6.8945 6.8945 7.0802 7.0802 7.4557 7.4557 8.3035 8.3035 9.2650 9.2650 9.9442 9.9442 k = 0.1429 0.0833 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5090 -20.5090 -7.1909 -7.1909 -5.2772 -5.2772 -5.1061 -5.1061 -2.3154 -2.3154 0.3124 0.3124 3.4008 3.4008 5.7903 5.7903 5.8777 5.8777 6.9270 6.9270 7.1080 7.1080 7.4232 7.4232 8.2010 8.2010 9.3374 9.3374 10.0165 10.0165 k = 0.1607 0.0937 0.0000 ( 6390 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5090 -20.5090 -7.1916 -7.1916 -5.2800 -5.2800 -5.1063 -5.1063 -2.2934 -2.2934 0.2467 0.2467 3.5140 3.5140 5.7799 5.7799 5.8724 5.8724 6.9624 6.9624 7.1386 7.1386 7.3897 7.3897 8.1002 8.1002 9.4160 9.4160 10.0841 10.0841 k = 0.1786 0.1041 0.0000 ( 6398 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4608 -35.4608 -35.4545 -35.4545 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5089 -20.5089 -7.1924 -7.1924 -5.2830 -5.2830 -5.1065 -5.1065 -2.2693 -2.2693 0.1788 0.1788 3.6346 3.6346 5.7694 5.7694 5.8671 5.8671 7.0003 7.0003 7.1717 7.1717 7.3559 7.3559 8.0018 8.0018 9.5001 9.5001 10.1459 10.1459 k = 0.1964 0.1145 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5089 -20.5089 -7.1932 -7.1932 -5.2862 -5.2862 -5.1067 -5.1067 -2.2432 -2.2432 0.1097 0.1097 3.7618 3.7618 5.7589 5.7589 5.8616 5.8616 7.0403 7.0403 7.2069 7.2069 7.3224 7.3224 7.9065 7.9065 9.5893 9.5893 10.2005 10.2005 k = 0.2143 0.1249 0.0000 ( 6386 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5089 -20.5089 -7.1941 -7.1941 -5.2895 -5.2895 -5.1070 -5.1070 -2.2153 -2.2153 0.0399 0.0399 3.8946 3.8946 5.7486 5.7486 5.8563 5.8563 7.0819 7.0819 7.2435 7.2435 7.2898 7.2898 7.8152 7.8152 9.6830 9.6830 10.2431 10.2431 k = 0.2321 0.1353 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1665 -35.1665 -20.5089 -20.5089 -7.1949 -7.1949 -5.2928 -5.2928 -5.1072 -5.1072 -2.1856 -2.1856 -0.0299 -0.0299 4.0323 4.0323 5.7385 5.7385 5.8510 5.8510 7.1247 7.1247 7.2554 7.2554 7.2844 7.2844 7.7284 7.7284 9.7807 9.7807 10.2536 10.2536 k = 0.2500 0.1457 0.0000 ( 6390 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5088 -20.5088 -7.1958 -7.1958 -5.2961 -5.2961 -5.1074 -5.1074 -2.1546 -2.1546 -0.0991 -0.0991 4.1743 4.1743 5.7288 5.7288 5.8460 5.8460 7.1680 7.1680 7.2253 7.2253 7.3231 7.3231 7.6467 7.6467 9.8823 9.8823 10.1667 10.1667 k = 0.2679 0.1561 0.0000 ( 6406 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4608 -35.4608 -35.4545 -35.4545 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1666 -35.1666 -20.5088 -20.5088 -7.1967 -7.1967 -5.2994 -5.2994 -5.1077 -5.1077 -2.1223 -2.1223 -0.1674 -0.1674 4.3197 4.3197 5.7195 5.7195 5.8411 5.8411 7.1959 7.1959 7.2112 7.2112 7.3633 7.3633 7.5711 7.5711 9.9872 9.9872 9.9877 9.9877 k = 0.2857 0.1665 0.0000 ( 6394 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4608 -35.4608 -35.4544 -35.4544 -35.1773 -35.1773 -35.1686 -35.1686 -35.1667 -35.1667 -35.1665 -35.1665 -20.5088 -20.5088 -7.1976 -7.1976 -5.3027 -5.3027 -5.1079 -5.1079 -2.0890 -2.0890 -0.2342 -0.2342 4.4679 4.4679 5.7108 5.7108 5.8366 5.8366 7.1680 7.1680 7.2528 7.2528 7.4038 7.4038 7.5029 7.5029 9.7819 9.7819 10.0952 10.0952 k = 0.3036 0.1770 0.0000 ( 6370 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5087 -20.5087 -7.1985 -7.1985 -5.3058 -5.3058 -5.1081 -5.1081 -2.0551 -2.0551 -0.2991 -0.2991 4.6180 4.6180 5.7027 5.7027 5.8324 5.8324 7.1419 7.1419 7.2898 7.2898 7.4441 7.4441 7.4455 7.4455 9.5693 9.5693 10.2060 10.2060 k = 0.3214 0.1874 0.0000 ( 6354 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1666 -35.1666 -35.1665 -35.1665 -20.5087 -20.5087 -7.1993 -7.1993 -5.3088 -5.3088 -5.1084 -5.1084 -2.0209 -2.0209 -0.3618 -0.3618 4.7692 4.7692 5.6953 5.6953 5.8286 5.8286 7.1177 7.1177 7.3102 7.3102 7.4105 7.4105 7.4838 7.4838 9.3555 9.3555 10.3191 10.3191 k = 0.3393 0.1978 0.0000 ( 6354 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1666 -35.1666 -35.1665 -35.1665 -20.5087 -20.5087 -7.2001 -7.2001 -5.3116 -5.3116 -5.1086 -5.1086 -1.9868 -1.9868 -0.4216 -0.4216 4.9201 4.9201 5.6885 5.6885 5.8250 5.8250 7.0955 7.0955 7.2952 7.2952 7.4174 7.4174 7.5222 7.5222 9.1431 9.1431 10.4340 10.4340 k = 0.3571 0.2082 0.0000 ( 6354 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1666 -35.1666 -35.1665 -35.1665 -20.5087 -20.5087 -7.2008 -7.2008 -5.3142 -5.3142 -5.1088 -5.1088 -1.9533 -1.9533 -0.4782 -0.4782 5.0694 5.0694 5.6823 5.6823 5.8219 5.8219 7.0755 7.0755 7.2645 7.2645 7.4466 7.4466 7.5587 7.5587 8.9337 8.9337 10.5500 10.5500 k = 0.3750 0.2186 0.0000 ( 6358 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1666 -35.1666 -35.1665 -35.1665 -20.5086 -20.5086 -7.2015 -7.2015 -5.3166 -5.3166 -5.1090 -5.1090 -1.9209 -1.9209 -0.5309 -0.5309 5.2151 5.2151 5.6769 5.6769 5.8191 5.8191 7.0576 7.0576 7.2374 7.2374 7.4796 7.4796 7.5929 7.5929 8.7287 8.7287 10.6616 10.6616 k = 0.3929 0.2290 0.0000 ( 6358 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1666 -35.1666 -35.1665 -35.1665 -20.5086 -20.5086 -7.2021 -7.2021 -5.3187 -5.3187 -5.1091 -5.1091 -1.8903 -1.8903 -0.5790 -0.5790 5.3548 5.3548 5.6723 5.6723 5.8167 5.8167 7.0421 7.0421 7.2198 7.2198 7.5112 7.5112 7.6240 7.6240 8.5296 8.5296 10.6866 10.6866 k = 0.4107 0.2394 0.0000 ( 6374 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2026 -7.2026 -5.3205 -5.3205 -5.1093 -5.1093 -1.8622 -1.8622 -0.6219 -0.6219 5.4851 5.4851 5.6683 5.6683 5.8147 5.8147 7.0288 7.0288 7.2146 7.2146 7.5398 7.5398 7.6516 7.6516 8.3381 8.3381 10.7084 10.7084 k = 0.4286 0.2498 0.0000 ( 6374 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2030 -7.2030 -5.3220 -5.3220 -5.1094 -5.1094 -1.8375 -1.8375 -0.6588 -0.6588 5.6018 5.6018 5.6653 5.6653 5.8130 5.8130 7.0179 7.0179 7.2244 7.2244 7.5643 7.5643 7.6750 7.6750 8.1566 8.1566 10.7268 10.7268 k = 0.4464 0.2602 0.0000 ( 6366 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2033 -7.2033 -5.3232 -5.3232 -5.1095 -5.1095 -1.8170 -1.8170 -0.6887 -0.6887 5.6618 5.6618 5.7016 5.7016 5.8117 5.8117 7.0094 7.0094 7.2510 7.2510 7.5841 7.5841 7.6939 7.6939 7.9885 7.9885 10.7414 10.7414 k = 0.4643 0.2706 0.0000 ( 6362 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2036 -7.2036 -5.3241 -5.3241 -5.1095 -5.1095 -1.8016 -1.8016 -0.7108 -0.7108 5.6604 5.6604 5.7766 5.7766 5.8108 5.8108 7.0033 7.0033 7.2938 7.2938 7.5986 7.5986 7.7076 7.7076 7.8396 7.8396 10.7520 10.7520 k = 0.4821 0.2810 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2037 -7.2037 -5.3246 -5.3246 -5.1096 -5.1096 -1.7920 -1.7920 -0.7244 -0.7244 5.6594 5.6594 5.8103 5.8103 5.8239 5.8239 6.9996 6.9996 7.3446 7.3446 7.6074 7.6074 7.7160 7.7160 7.7230 7.7230 10.7584 10.7584 k = 0.5000 0.2915 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2038 -7.2038 -5.3248 -5.3248 -5.1096 -5.1096 -1.7888 -1.7888 -0.7290 -0.7290 5.6590 5.6590 5.8101 5.8101 5.8401 5.8401 6.9984 6.9984 7.3725 7.3725 7.6102 7.6102 7.6729 7.6729 7.7189 7.7189 10.7606 10.7606 k = 0.5000 0.2915 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2038 -7.2038 -5.3248 -5.3248 -5.1096 -5.1096 -1.7888 -1.7888 -0.7290 -0.7290 5.6590 5.6590 5.8101 5.8101 5.8401 5.8401 6.9984 6.9984 7.3725 7.3725 7.6102 7.6102 7.6729 7.6729 7.7189 7.7189 10.7606 10.7606 k = 0.4926 0.3042 0.0147 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1665 -35.1665 -20.5085 -20.5085 -7.2039 -7.2039 -5.3248 -5.3248 -5.1100 -5.1100 -1.7875 -1.7875 -0.7284 -0.7284 5.6406 5.6406 5.7775 5.7775 5.8779 5.8779 7.0085 7.0085 7.3522 7.3522 7.6208 7.6208 7.6789 7.6789 7.7273 7.7273 10.7331 10.7331 k = 0.4852 0.3169 0.0294 ( 6378 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5085 -20.5085 -7.2042 -7.2042 -5.3249 -5.3249 -5.1114 -5.1114 -1.7837 -1.7837 -0.7266 -0.7266 5.5843 5.5843 5.7517 5.7517 5.9221 5.9221 7.0376 7.0376 7.3020 7.3020 7.6406 7.6406 7.6969 7.6969 7.7543 7.7543 10.6623 10.6623 k = 0.4778 0.3296 0.0442 ( 6374 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5084 -20.5084 -7.2046 -7.2046 -5.3251 -5.3251 -5.1136 -5.1136 -1.7775 -1.7775 -0.7236 -0.7236 5.5003 5.5003 5.7392 5.7392 5.9585 5.9585 7.0818 7.0818 7.2367 7.2367 7.6571 7.6571 7.7275 7.7275 7.7978 7.7978 10.5676 10.5676 k = 0.4704 0.3423 0.0589 ( 6372 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4606 -35.4606 -35.4545 -35.4545 -35.1771 -35.1771 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5082 -20.5082 -7.2052 -7.2052 -5.3253 -5.3253 -5.1166 -5.1166 -1.7689 -1.7689 -0.7194 -0.7194 5.4013 5.4013 5.7317 5.7317 5.9869 5.9869 7.1344 7.1344 7.1652 7.1652 7.6700 7.6700 7.7719 7.7719 7.8507 7.8507 10.4614 10.4614 k = 0.4629 0.3550 0.0736 ( 6376 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4606 -35.4606 -35.4545 -35.4545 -35.1771 -35.1771 -35.1685 -35.1685 -35.1668 -35.1668 -35.1666 -35.1666 -20.5080 -20.5080 -7.2060 -7.2060 -5.3257 -5.3257 -5.1203 -5.1203 -1.7580 -1.7580 -0.7140 -0.7140 5.2935 5.2935 5.7256 5.7256 6.0085 6.0085 7.0842 7.0842 7.1972 7.1972 7.6819 7.6819 7.8310 7.8310 7.9076 7.9076 10.3503 10.3503 k = 0.4555 0.3677 0.0883 ( 6380 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1770 -35.1770 -35.1685 -35.1685 -35.1668 -35.1668 -35.1667 -35.1667 -20.5078 -20.5078 -7.2070 -7.2070 -5.3263 -5.3263 -5.1246 -5.1246 -1.7449 -1.7449 -0.7074 -0.7074 5.1804 5.1804 5.7197 5.7197 6.0247 6.0247 7.0036 7.0036 7.2581 7.2581 7.6940 7.6940 7.9049 7.9049 7.9657 7.9657 10.2383 10.2383 k = 0.4481 0.3805 0.1030 ( 6376 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4605 -35.4605 -35.4546 -35.4546 -35.1770 -35.1770 -35.1685 -35.1685 -35.1669 -35.1669 -35.1667 -35.1667 -20.5076 -20.5076 -7.2082 -7.2082 -5.3271 -5.3271 -5.1294 -5.1294 -1.7298 -1.7298 -0.6996 -0.6996 5.0641 5.0641 5.7136 5.7136 6.0365 6.0365 6.9208 6.9208 7.3182 7.3182 7.7070 7.7070 7.9926 7.9926 8.0240 8.0240 10.1278 10.1278 k = 0.4407 0.3932 0.1177 ( 6382 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4605 -35.4605 -35.4547 -35.4547 -35.1769 -35.1769 -35.1685 -35.1685 -35.1669 -35.1669 -35.1667 -35.1667 -20.5073 -20.5073 -7.2095 -7.2095 -5.3281 -5.3281 -5.1345 -5.1345 -1.7128 -1.7128 -0.6907 -0.6907 4.9461 4.9461 5.7070 5.7070 6.0446 6.0446 6.8368 6.8368 7.3766 7.3766 7.7212 7.7212 8.0812 8.0812 8.0932 8.0932 10.0205 10.0205 k = 0.4333 0.4059 0.1325 ( 6376 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4604 -35.4604 -35.4547 -35.4547 -35.1768 -35.1768 -35.1685 -35.1685 -35.1670 -35.1670 -35.1667 -35.1667 -20.5070 -20.5070 -7.2109 -7.2109 -5.3295 -5.3295 -5.1399 -5.1399 -1.6940 -1.6940 -0.6806 -0.6806 4.8277 4.8277 5.7000 5.7000 6.0494 6.0494 6.7521 6.7521 7.4335 7.4335 7.7365 7.7365 8.1391 8.1391 8.2025 8.2025 9.9177 9.9177 k = 0.4259 0.4186 0.1472 ( 6384 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4604 -35.4604 -35.4548 -35.4548 -35.1767 -35.1767 -35.1685 -35.1685 -35.1672 -35.1672 -35.1668 -35.1668 -20.5066 -20.5066 -7.2125 -7.2125 -5.3314 -5.3314 -5.1453 -5.1453 -1.6738 -1.6738 -0.6692 -0.6692 4.7098 4.7098 5.6925 5.6925 6.0511 6.0511 6.6672 6.6672 7.4895 7.4895 7.7528 7.7528 8.1963 8.1963 8.3195 8.3195 9.8210 9.8210 k = 0.4185 0.4313 0.1619 ( 6388 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4603 -35.4603 -35.4549 -35.4549 -35.1766 -35.1766 -35.1685 -35.1685 -35.1673 -35.1673 -35.1668 -35.1668 -20.5063 -20.5063 -7.2143 -7.2143 -5.3336 -5.3336 -5.1506 -5.1506 -1.6523 -1.6523 -0.6568 -0.6568 4.5930 4.5930 5.6847 5.6847 6.0498 6.0498 6.5824 6.5824 7.5456 7.5456 7.7699 7.7699 8.2533 8.2533 8.4411 8.4411 9.7317 9.7317 k = 0.4111 0.4440 0.1766 ( 6392 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4603 -35.4603 -35.4549 -35.4549 -35.1765 -35.1765 -35.1684 -35.1684 -35.1674 -35.1674 -35.1668 -35.1668 -20.5059 -20.5059 -7.2161 -7.2161 -5.3364 -5.3364 -5.1556 -5.1556 -1.6297 -1.6297 -0.6431 -0.6431 4.4780 4.4780 5.6765 5.6765 6.0453 6.0453 6.4981 6.4981 7.6023 7.6023 7.7877 7.7877 8.3102 8.3102 8.5646 8.5646 9.6516 9.6516 k = 0.4036 0.4567 0.1913 ( 6392 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4602 -35.4602 -35.4550 -35.4550 -35.1763 -35.1763 -35.1684 -35.1684 -35.1676 -35.1676 -35.1669 -35.1669 -20.5055 -20.5055 -7.2181 -7.2181 -5.3398 -5.3398 -5.1603 -5.1603 -1.6064 -1.6064 -0.6283 -0.6283 4.3653 4.3653 5.6680 5.6680 6.0375 6.0375 6.4147 6.4147 7.6603 7.6603 7.8057 7.8057 8.3674 8.3674 8.6868 8.6868 9.5832 9.5832 k = 0.3962 0.4695 0.2060 ( 6386 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4601 -35.4601 -35.4551 -35.4551 -35.1762 -35.1762 -35.1684 -35.1684 -35.1677 -35.1677 -35.1669 -35.1669 -20.5050 -20.5050 -7.2201 -7.2201 -5.3437 -5.3437 -5.1645 -5.1645 -1.5824 -1.5824 -0.6123 -0.6123 4.2554 4.2554 5.6594 5.6594 6.0262 6.0262 6.3323 6.3323 7.7199 7.7199 7.8235 7.8235 8.4250 8.4250 8.8032 8.8032 9.5307 9.5307 k = 0.3888 0.4822 0.2208 ( 6391 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4600 -35.4600 -35.4552 -35.4552 -35.1760 -35.1760 -35.1683 -35.1683 -35.1679 -35.1679 -35.1669 -35.1669 -20.5046 -20.5046 -7.2223 -7.2223 -5.3482 -5.3482 -5.1680 -5.1680 -1.5582 -1.5582 -0.5952 -0.5952 4.1488 4.1488 5.6508 5.6508 6.0111 6.0111 6.2514 6.2514 7.7812 7.7812 7.8408 7.8408 8.4832 8.4832 8.9063 8.9063 9.5010 9.5010 k = 0.3814 0.4949 0.2355 ( 6387 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4599 -35.4599 -35.4553 -35.4553 -35.1759 -35.1759 -35.1683 -35.1683 -35.1680 -35.1680 -35.1670 -35.1670 -20.5042 -20.5042 -7.2245 -7.2245 -5.3533 -5.3533 -5.1710 -5.1710 -1.5340 -1.5340 -0.5770 -0.5770 4.0457 4.0457 5.6423 5.6423 5.9919 5.9919 6.1722 6.1722 7.8438 7.8438 7.8574 7.8574 8.5422 8.5422 8.9856 8.9856 9.5043 9.5043 k = 0.3740 0.5076 0.2502 ( 6385 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4598 -35.4598 -35.4554 -35.4554 -35.1757 -35.1757 -35.1683 -35.1683 -35.1682 -35.1682 -35.1670 -35.1670 -20.5037 -20.5037 -7.2267 -7.2267 -5.3588 -5.3588 -5.1733 -5.1733 -1.5101 -1.5101 -0.5577 -0.5577 3.9465 3.9465 5.6340 5.6340 5.9683 5.9683 6.0952 6.0952 7.8702 7.8702 7.9101 7.9101 8.6021 8.6021 9.0327 9.0327 9.5481 9.5481 k = 0.3666 0.5203 0.2649 ( 6397 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4597 -35.4597 -35.4555 -35.4555 -35.1755 -35.1755 -35.1684 -35.1684 -35.1683 -35.1683 -35.1670 -35.1670 -20.5033 -20.5033 -7.2290 -7.2290 -5.3647 -5.3647 -5.1751 -5.1751 -1.4868 -1.4868 -0.5372 -0.5372 3.8516 3.8516 5.6261 5.6261 5.9393 5.9393 6.0215 6.0215 7.8815 7.8815 7.9768 7.9768 8.6632 8.6632 9.0514 9.0514 9.5694 9.5694 k = 0.3592 0.5330 0.2796 ( 6393 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4596 -35.4596 -35.4556 -35.4556 -35.1753 -35.1753 -35.1686 -35.1686 -35.1682 -35.1682 -35.1671 -35.1671 -20.5028 -20.5028 -7.2313 -7.2313 -5.3708 -5.3708 -5.1762 -5.1762 -1.4643 -1.4643 -0.5157 -0.5157 3.7612 3.7612 5.6186 5.6186 5.9020 5.9020 5.9540 5.9540 7.8889 7.8889 8.0450 8.0450 8.7254 8.7254 9.0545 9.0545 9.4833 9.4833 k = 0.3518 0.5458 0.2943 ( 6389 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4595 -35.4595 -35.4557 -35.4557 -35.1751 -35.1751 -35.1688 -35.1688 -35.1682 -35.1682 -35.1671 -35.1671 -20.5024 -20.5024 -7.2335 -7.2335 -5.3771 -5.3771 -5.1769 -5.1769 -1.4430 -1.4430 -0.4931 -0.4931 3.6757 3.6757 5.6116 5.6116 5.8506 5.8506 5.8991 5.8991 7.8914 7.8914 8.1145 8.1145 8.7890 8.7890 9.0529 9.0529 9.3979 9.3979 k = 0.3444 0.5585 0.3091 ( 6385 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4593 -35.4593 -35.4559 -35.4559 -35.1749 -35.1749 -35.1690 -35.1690 -35.1682 -35.1682 -35.1671 -35.1671 -20.5020 -20.5020 -7.2357 -7.2357 -5.3834 -5.3834 -5.1771 -5.1771 -1.4232 -1.4232 -0.4695 -0.4695 3.5952 3.5952 5.6054 5.6054 5.7879 5.7879 5.8539 5.8539 7.8880 7.8880 8.1848 8.1848 8.8538 8.8538 9.0529 9.0529 9.3165 9.3165 k = 0.3369 0.5712 0.3238 ( 6377 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4592 -35.4592 -35.4560 -35.4560 -35.1747 -35.1747 -35.1692 -35.1692 -35.1681 -35.1681 -35.1672 -35.1672 -20.5016 -20.5016 -7.2379 -7.2379 -5.3897 -5.3897 -5.1769 -5.1769 -1.4052 -1.4052 -0.4449 -0.4449 3.5202 3.5202 5.6000 5.6000 5.7230 5.7230 5.8102 5.8102 7.8778 7.8778 8.2556 8.2556 8.9195 8.9195 9.0576 9.0576 9.2398 9.2398 k = 0.3295 0.5839 0.3385 ( 6375 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4591 -35.4591 -35.4561 -35.4561 -35.1745 -35.1745 -35.1694 -35.1694 -35.1681 -35.1681 -35.1672 -35.1672 -20.5012 -20.5012 -7.2399 -7.2399 -5.3957 -5.3957 -5.1765 -5.1765 -1.3893 -1.3893 -0.4193 -0.4193 3.4507 3.4507 5.5952 5.5952 5.6592 5.6592 5.7652 5.7652 7.8599 7.8599 8.3264 8.3264 8.9847 8.9847 9.0686 9.0686 9.1697 9.1697 k = 0.3221 0.5966 0.3532 ( 6375 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4590 -35.4590 -35.4562 -35.4562 -35.1743 -35.1743 -35.1696 -35.1696 -35.1680 -35.1680 -35.1672 -35.1672 -20.5008 -20.5008 -7.2419 -7.2419 -5.4015 -5.4015 -5.1758 -5.1758 -1.3756 -1.3756 -0.3927 -0.3927 3.3869 3.3869 5.5891 5.5891 5.5991 5.5991 5.7187 5.7187 7.8340 7.8340 8.3970 8.3970 9.0349 9.0349 9.0891 9.0891 9.1181 9.1181 k = 0.3147 0.6093 0.3679 ( 6373 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4588 -35.4588 -35.4564 -35.4564 -35.1741 -35.1741 -35.1699 -35.1699 -35.1680 -35.1680 -35.1673 -35.1673 -20.5005 -20.5005 -7.2436 -7.2436 -5.4069 -5.4069 -5.1749 -5.1749 -1.3646 -1.3646 -0.3652 -0.3652 3.3291 3.3291 5.5371 5.5371 5.5867 5.5867 5.6724 5.6724 7.7999 7.7999 8.4669 8.4669 9.0103 9.0103 9.1206 9.1206 9.1438 9.1438 k = 0.3073 0.6220 0.3827 ( 6381 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4587 -35.4587 -35.4565 -35.4565 -35.1738 -35.1738 -35.1701 -35.1701 -35.1680 -35.1680 -35.1673 -35.1673 -20.5002 -20.5002 -7.2453 -7.2453 -5.4119 -5.4119 -5.1739 -5.1739 -1.3564 -1.3564 -0.3368 -0.3368 3.2773 3.2773 5.4803 5.4803 5.5754 5.5754 5.6322 5.6322 7.7581 7.7581 8.5360 8.5360 8.9553 8.9553 9.1517 9.1517 9.2135 9.2135 k = 0.2999 0.6348 0.3974 ( 6377 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4586 -35.4586 -35.4566 -35.4566 -35.1736 -35.1736 -35.1703 -35.1703 -35.1679 -35.1679 -35.1673 -35.1673 -20.4999 -20.4999 -7.2467 -7.2467 -5.4163 -5.4163 -5.1728 -5.1728 -1.3513 -1.3513 -0.3076 -0.3076 3.2317 3.2317 5.4261 5.4261 5.5439 5.5439 5.6127 5.6127 7.7093 7.7093 8.6040 8.6040 8.9000 8.9000 9.1911 9.1911 9.2877 9.2877 k = 0.2925 0.6475 0.4121 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1706 -35.1706 -35.1679 -35.1679 -35.1674 -35.1674 -20.4997 -20.4997 -7.2480 -7.2480 -5.4201 -5.4201 -5.1717 -5.1717 -1.3493 -1.3493 -0.2776 -0.2776 3.1921 3.1921 5.3748 5.3748 5.4970 5.4970 5.6099 5.6099 7.6544 7.6544 8.6709 8.6709 8.8481 8.8481 9.2367 9.2367 9.3640 9.3640 k = 0.2925 0.6475 0.4121 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1734 -35.1734 -35.1706 -35.1706 -35.1679 -35.1679 -35.1674 -35.1674 -20.4997 -20.4997 -7.2480 -7.2480 -5.4201 -5.4201 -5.1717 -5.1717 -1.3493 -1.3493 -0.2776 -0.2776 3.1921 3.1921 5.3748 5.3748 5.4970 5.4970 5.6099 5.6099 7.6544 7.6544 8.6709 8.6709 8.8481 8.8481 9.2367 9.2367 9.3640 9.3640 k = 0.2730 0.6426 0.4177 ( 6383 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4568 -35.4568 -35.1733 -35.1733 -35.1707 -35.1707 -35.1679 -35.1679 -35.1674 -35.1674 -20.4996 -20.4996 -7.2484 -7.2484 -5.4214 -5.4214 -5.1712 -5.1712 -1.3499 -1.3499 -0.2654 -0.2654 3.1814 3.1814 5.2911 5.2911 5.5397 5.5397 5.6136 5.6136 7.6308 7.6308 8.6484 8.6484 8.8601 8.8601 9.2145 9.2145 9.4512 9.4512 k = 0.2535 0.6378 0.4233 ( 6381 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4583 -35.4583 -35.4569 -35.4569 -35.1732 -35.1732 -35.1708 -35.1708 -35.1678 -35.1678 -35.1674 -35.1674 -20.4996 -20.4996 -7.2488 -7.2488 -5.4226 -5.4226 -5.1708 -5.1708 -1.3518 -1.3518 -0.2523 -0.2523 3.1773 3.1773 5.1698 5.1698 5.5969 5.5969 5.6418 5.6418 7.6049 7.6049 8.5675 8.5675 8.8935 8.8935 9.1903 9.1903 9.4645 9.4645 k = 0.2340 0.6329 0.4290 ( 6388 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4583 -35.4583 -35.4570 -35.4570 -35.1731 -35.1731 -35.1709 -35.1709 -35.1678 -35.1678 -35.1675 -35.1675 -20.4995 -20.4995 -7.2491 -7.2491 -5.4237 -5.4237 -5.1702 -5.1702 -1.3546 -1.3546 -0.2387 -0.2387 3.1799 3.1799 5.0448 5.0448 5.6093 5.6093 5.7200 5.7200 7.5777 7.5777 8.4668 8.4668 8.9061 8.9061 9.2000 9.2000 9.4456 9.4456 k = 0.2145 0.6280 0.4346 ( 6388 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4570 -35.4570 -35.1730 -35.1730 -35.1710 -35.1710 -35.1678 -35.1678 -35.1675 -35.1675 -20.4994 -20.4994 -7.2494 -7.2494 -5.4247 -5.4247 -5.1697 -5.1697 -1.3581 -1.3581 -0.2251 -0.2251 3.1894 3.1894 4.9202 4.9202 5.6149 5.6149 5.8065 5.8065 7.5502 7.5502 8.3581 8.3581 8.8953 8.8953 9.2408 9.2408 9.4193 9.4193 k = 0.1950 0.6232 0.4402 ( 6379 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4581 -35.4581 -35.4571 -35.4571 -35.1729 -35.1729 -35.1711 -35.1711 -35.1678 -35.1678 -35.1675 -35.1675 -20.4994 -20.4994 -7.2497 -7.2497 -5.4256 -5.4256 -5.1691 -5.1691 -1.3620 -1.3620 -0.2118 -0.2118 3.2059 3.2059 4.7970 4.7970 5.6197 5.6197 5.8940 5.8940 7.5230 7.5230 8.2462 8.2462 8.8729 8.8729 9.2984 9.2984 9.3894 9.3894 k = 0.1755 0.6183 0.4458 ( 6383 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4581 -35.4581 -35.4571 -35.4571 -35.1728 -35.1728 -35.1712 -35.1712 -35.1678 -35.1678 -35.1675 -35.1675 -20.4993 -20.4993 -7.2499 -7.2499 -5.4263 -5.4263 -5.1686 -5.1686 -1.3661 -1.3661 -0.1992 -0.1992 3.2294 3.2294 4.6761 4.6761 5.6245 5.6245 5.9813 5.9813 7.4968 7.4968 8.1337 8.1337 8.8472 8.8472 9.3529 9.3529 9.3683 9.3683 k = 0.1560 0.6135 0.4514 ( 6385 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4580 -35.4580 -35.4572 -35.4572 -35.1727 -35.1727 -35.1713 -35.1713 -35.1678 -35.1678 -35.1675 -35.1675 -20.4993 -20.4993 -7.2501 -7.2501 -5.4270 -5.4270 -5.1680 -5.1680 -1.3703 -1.3703 -0.1875 -0.1875 3.2598 3.2598 4.5578 4.5578 5.6292 5.6292 6.0678 6.0678 7.4722 7.4722 8.0225 8.0225 8.8218 8.8218 9.3262 9.3262 9.4309 9.4309 k = 0.1365 0.6086 0.4571 ( 6388 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4580 -35.4580 -35.4572 -35.4572 -35.1726 -35.1726 -35.1714 -35.1714 -35.1678 -35.1678 -35.1675 -35.1675 -20.4992 -20.4992 -7.2502 -7.2502 -5.4277 -5.4277 -5.1675 -5.1675 -1.3743 -1.3743 -0.1769 -0.1769 3.2972 3.2972 4.4424 4.4424 5.6337 5.6337 6.1530 6.1530 7.4496 7.4496 7.9142 7.9142 8.7984 8.7984 9.2974 9.2974 9.4963 9.4963 k = 0.1170 0.6038 0.4627 ( 6388 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4573 -35.4573 -35.1726 -35.1726 -35.1714 -35.1714 -35.1677 -35.1677 -35.1676 -35.1676 -20.4992 -20.4992 -7.2504 -7.2504 -5.4282 -5.4282 -5.1671 -5.1671 -1.3780 -1.3780 -0.1674 -0.1674 3.3414 3.3414 4.3304 4.3304 5.6380 5.6380 6.2360 6.2360 7.4294 7.4294 7.8103 7.8103 8.7776 8.7776 9.2711 9.2711 9.5587 9.5587 k = 0.0975 0.5989 0.4683 ( 6391 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4573 -35.4573 -35.1725 -35.1725 -35.1715 -35.1715 -35.1677 -35.1677 -35.1676 -35.1676 -20.4992 -20.4992 -7.2505 -7.2505 -5.4286 -5.4286 -5.1666 -5.1666 -1.3813 -1.3813 -0.1594 -0.1594 3.3921 3.3921 4.2220 4.2220 5.6418 5.6418 6.3155 6.3155 7.4118 7.4118 7.7123 7.7123 8.7596 8.7596 9.2480 9.2480 9.6160 9.6160 k = 0.0780 0.5940 0.4739 ( 6387 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4578 -35.4578 -35.4574 -35.4574 -35.1724 -35.1724 -35.1716 -35.1716 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2506 -7.2506 -5.4290 -5.4290 -5.1663 -5.1663 -1.3841 -1.3841 -0.1527 -0.1527 3.4493 3.4493 4.1175 4.1175 5.6451 5.6451 6.3897 6.3897 7.3973 7.3973 7.6225 7.6225 8.7448 8.7448 9.2287 9.2287 9.6664 9.6664 k = 0.0585 0.5892 0.4796 ( 6389 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4578 -35.4578 -35.4574 -35.4574 -35.1723 -35.1723 -35.1717 -35.1717 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2506 -7.2506 -5.4293 -5.4293 -5.1660 -5.1660 -1.3863 -1.3863 -0.1475 -0.1475 3.5126 3.5126 4.0174 4.0174 5.6478 5.6478 6.4555 6.4555 7.3860 7.3860 7.5440 7.5440 8.7332 8.7332 9.2133 9.2133 9.7079 9.7079 k = 0.0390 0.5843 0.4852 ( 6387 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4575 -35.4575 -35.1722 -35.1722 -35.1718 -35.1718 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2507 -7.2507 -5.4295 -5.4295 -5.1658 -5.1658 -1.3880 -1.3880 -0.1437 -0.1437 3.5815 3.5815 3.9222 3.9222 5.6498 5.6498 6.5089 6.5089 7.3783 7.3783 7.4810 7.4810 8.7249 8.7249 9.2022 9.2022 9.7390 9.7390 k = 0.0195 0.5795 0.4908 ( 6387 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4575 -35.4575 -35.1721 -35.1721 -35.1719 -35.1719 -35.1677 -35.1677 -35.1676 -35.1676 -20.4991 -20.4991 -7.2507 -7.2507 -5.4296 -5.4296 -5.1656 -5.1656 -1.3890 -1.3890 -0.1415 -0.1415 3.6543 3.6543 3.8336 3.8336 5.6510 5.6510 6.5444 6.5444 7.3746 7.3746 7.4388 7.4388 8.7199 8.7199 9.1955 9.1955 9.7583 9.7583 k = 0.0000 0.5746 0.4964 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1720 -35.1720 -35.1720 -35.1720 -35.1676 -35.1676 -35.1676 -35.1676 -20.4991 -20.4991 -7.2507 -7.2507 -5.4296 -5.4296 -5.1656 -5.1656 -1.3893 -1.3893 -0.1407 -0.1407 3.7095 3.7095 3.7731 3.7731 5.6514 5.6514 6.5570 6.5570 7.3738 7.3738 7.4235 7.4235 8.7182 8.7182 9.1932 9.1932 9.7648 9.7648 k = 0.0000 0.5746 0.4964 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1720 -35.1720 -35.1720 -35.1720 -35.1676 -35.1676 -35.1676 -35.1676 -20.4991 -20.4991 -7.2507 -7.2507 -5.4296 -5.4296 -5.1656 -5.1656 -1.3893 -1.3893 -0.1407 -0.1407 3.7095 3.7095 3.7731 3.7731 5.6514 5.6514 6.5570 6.5570 7.3738 7.3738 7.4235 7.4235 8.7182 8.7182 9.1932 9.1932 9.7648 9.7648 k = 0.0074 0.5620 0.5110 ( 6388 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1720 -35.1720 -35.1720 -35.1720 -35.1676 -35.1676 -35.1676 -35.1676 -20.4991 -20.4991 -7.2507 -7.2507 -5.4294 -5.4294 -5.1660 -5.1660 -1.3898 -1.3898 -0.1399 -0.1399 3.7110 3.7110 3.7727 3.7727 5.6503 5.6503 6.5531 6.5531 7.3520 7.3520 7.4272 7.4272 8.7403 8.7403 9.1978 9.1978 9.7686 9.7686 k = 0.0147 0.5494 0.5256 ( 6388 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1720 -35.1720 -35.1720 -35.1720 -35.1676 -35.1676 -35.1676 -35.1676 -20.4990 -20.4990 -7.2508 -7.2508 -5.4287 -5.4287 -5.1670 -5.1670 -1.3915 -1.3915 -0.1373 -0.1373 3.7155 3.7155 3.7715 3.7715 5.6471 5.6471 6.5417 6.5417 7.2953 7.2953 7.4331 7.4331 8.8030 8.8030 9.2114 9.2114 9.7799 9.7799 k = 0.0221 0.5368 0.5402 ( 6380 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1721 -35.1721 -35.1720 -35.1720 -35.1676 -35.1676 -35.1676 -35.1676 -20.4989 -20.4989 -7.2509 -7.2509 -5.4275 -5.4275 -5.1687 -5.1687 -1.3942 -1.3942 -0.1330 -0.1330 3.7228 3.7228 3.7696 3.7696 5.6418 5.6418 6.5230 6.5230 7.2133 7.2133 7.4395 7.4395 8.8983 8.8983 9.2336 9.2336 9.7984 9.7984 k = 0.0294 0.5242 0.5548 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1721 -35.1721 -35.1721 -35.1721 -35.1676 -35.1676 -35.1675 -35.1675 -20.4988 -20.4988 -7.2510 -7.2510 -5.4259 -5.4259 -5.1711 -5.1711 -1.3979 -1.3979 -0.1270 -0.1270 3.7326 3.7326 3.7675 3.7675 5.6342 5.6342 6.4977 6.4977 7.1139 7.1139 7.4471 7.4471 9.0175 9.0175 9.2640 9.2640 9.8239 9.8239 k = 0.0368 0.5115 0.5694 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1722 -35.1722 -35.1721 -35.1721 -35.1675 -35.1675 -35.1675 -35.1675 -20.4986 -20.4986 -7.2511 -7.2511 -5.4239 -5.4239 -5.1741 -5.1741 -1.4027 -1.4027 -0.1193 -0.1193 3.7436 3.7436 3.7662 3.7662 5.6243 5.6243 6.4667 6.4667 7.0037 7.0037 7.4559 7.4559 9.1537 9.1537 9.3018 9.3018 9.8558 9.8558 k = 0.0441 0.4989 0.5840 ( 6382 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1722 -35.1722 -35.1722 -35.1722 -35.1675 -35.1675 -35.1674 -35.1674 -20.4984 -20.4984 -7.2513 -7.2513 -5.4214 -5.4214 -5.1777 -5.1777 -1.4085 -1.4085 -0.1100 -0.1100 3.7503 3.7503 3.7713 3.7713 5.6120 5.6120 6.4307 6.4307 6.8874 6.8874 7.4661 7.4661 9.3010 9.3010 9.3470 9.3470 9.8935 9.8935 k = 0.0515 0.4863 0.5986 ( 6380 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1723 -35.1723 -35.1723 -35.1723 -35.1674 -35.1674 -35.1673 -35.1673 -20.4982 -20.4982 -7.2515 -7.2515 -5.4186 -5.4186 -5.1819 -5.1819 -1.4152 -1.4152 -0.0991 -0.0991 3.7492 3.7492 3.7861 3.7861 5.5971 5.5971 6.3909 6.3909 6.7684 6.7684 7.4773 7.4773 9.3946 9.3946 9.4602 9.4602 9.9362 9.9362 k = 0.0588 0.4737 0.6132 ( 6380 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1724 -35.1724 -35.1723 -35.1723 -35.1673 -35.1673 -35.1672 -35.1672 -20.4979 -20.4979 -7.2518 -7.2518 -5.4153 -5.4153 -5.1866 -5.1866 -1.4229 -1.4229 -0.0867 -0.0867 3.7455 3.7455 3.8054 3.8054 5.5796 5.5796 6.3482 6.3482 6.6492 6.6492 7.4892 7.4892 9.4500 9.4500 9.6221 9.6221 9.9831 9.9831 k = 0.0662 0.4611 0.6278 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1725 -35.1725 -35.1724 -35.1724 -35.1672 -35.1672 -35.1672 -35.1672 -20.4976 -20.4976 -7.2521 -7.2521 -5.4117 -5.4117 -5.1917 -5.1917 -1.4314 -1.4314 -0.0728 -0.0728 3.7409 3.7409 3.8271 3.8271 5.5592 5.5592 6.3034 6.3034 6.5316 6.5316 7.5016 7.5016 9.5090 9.5090 9.7878 9.7878 10.0330 10.0330 k = 0.0735 0.4485 0.6424 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1726 -35.1726 -35.1725 -35.1725 -35.1671 -35.1671 -35.1671 -35.1671 -20.4973 -20.4973 -7.2524 -7.2524 -5.4077 -5.4077 -5.1972 -5.1972 -1.4407 -1.4407 -0.0574 -0.0574 3.7362 3.7362 3.8504 3.8504 5.5357 5.5357 6.2573 6.2573 6.4173 6.4173 7.5139 7.5139 9.5713 9.5713 9.9543 9.9543 10.0851 10.0851 k = 0.0809 0.4359 0.6570 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4576 -35.4576 -35.4576 -35.4576 -35.1727 -35.1727 -35.1726 -35.1726 -35.1671 -35.1671 -35.1670 -35.1670 -20.4969 -20.4969 -7.2528 -7.2528 -5.4035 -5.4035 -5.2031 -5.2031 -1.4507 -1.4507 -0.0408 -0.0408 3.7317 3.7317 3.8746 3.8746 5.5091 5.5091 6.2096 6.2096 6.3086 6.3086 7.5256 7.5256 9.6360 9.6360 10.1144 10.1144 10.1417 10.1417 k = 0.0882 0.4232 0.6716 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4576 -35.4576 -35.1728 -35.1728 -35.1727 -35.1727 -35.1670 -35.1670 -35.1669 -35.1669 -20.4966 -20.4966 -7.2532 -7.2532 -5.3990 -5.3990 -5.2093 -5.2093 -1.4614 -1.4614 -0.0229 -0.0229 3.7275 3.7275 3.8992 3.8992 5.4792 5.4792 6.1554 6.1554 6.2121 6.2121 7.5362 7.5362 9.7026 9.7026 10.1876 10.1876 10.2742 10.2742 k = 0.0956 0.4106 0.6862 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4576 -35.4576 -35.1729 -35.1729 -35.1728 -35.1728 -35.1669 -35.1669 -35.1668 -35.1668 -20.4962 -20.4962 -7.2537 -7.2537 -5.3942 -5.3942 -5.2157 -5.2157 -1.4727 -1.4727 -0.0039 -0.0039 3.7238 3.7238 3.9235 3.9235 5.4460 5.4460 6.0794 6.0794 6.1449 6.1449 7.5449 7.5449 9.7705 9.7705 10.2390 10.2390 10.3972 10.3972 k = 0.1029 0.3980 0.7008 ( 6372 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4576 -35.4576 -35.1730 -35.1730 -35.1729 -35.1729 -35.1668 -35.1668 -35.1667 -35.1667 -20.4958 -20.4958 -7.2542 -7.2542 -5.3893 -5.3893 -5.2223 -5.2223 -1.4844 -1.4844 0.0161 0.0161 3.7209 3.7209 3.9468 3.9468 5.4096 5.4096 5.9914 5.9914 6.0986 6.0986 7.5511 7.5511 9.8388 9.8388 10.2878 10.2878 10.4550 10.4550 k = 0.1103 0.3854 0.7154 ( 6368 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4576 -35.4576 -35.1731 -35.1731 -35.1730 -35.1730 -35.1667 -35.1667 -35.1666 -35.1666 -20.4954 -20.4954 -7.2547 -7.2547 -5.3841 -5.3841 -5.2289 -5.2289 -1.4966 -1.4966 0.0370 0.0370 3.7187 3.7187 3.9682 3.9682 5.3702 5.3702 5.9068 5.9068 6.0590 6.0590 7.5541 7.5541 9.9072 9.9072 10.3335 10.3335 10.4476 10.4476 k = 0.1176 0.3728 0.7300 ( 6368 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1732 -35.1732 -35.1731 -35.1731 -35.1666 -35.1666 -35.1665 -35.1665 -20.4950 -20.4950 -7.2553 -7.2553 -5.3789 -5.3789 -5.2356 -5.2356 -1.5090 -1.5090 0.0587 0.0587 3.7175 3.7175 3.9871 3.9871 5.3281 5.3281 5.8296 5.8296 6.0233 6.0233 7.5532 7.5532 9.9748 9.9748 10.3752 10.3752 10.4155 10.4155 k = 0.1250 0.3602 0.7446 ( 6374 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1732 -35.1732 -35.1732 -35.1732 -35.1665 -35.1665 -35.1664 -35.1664 -20.4946 -20.4946 -7.2558 -7.2558 -5.3737 -5.3737 -5.2422 -5.2422 -1.5216 -1.5216 0.0810 0.0810 3.7174 3.7174 4.0025 4.0025 5.2836 5.2836 5.7613 5.7613 5.9908 5.9908 7.5478 7.5478 10.0410 10.0410 10.3760 10.3760 10.4185 10.4185 k = 0.1324 0.3476 0.7592 ( 6372 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1733 -35.1733 -35.1732 -35.1732 -35.1664 -35.1664 -35.1663 -35.1663 -20.4941 -20.4941 -7.2565 -7.2565 -5.3684 -5.3684 -5.2488 -5.2488 -1.5343 -1.5343 0.1037 0.1037 3.7184 3.7184 4.0136 4.0136 5.2374 5.2374 5.7030 5.7030 5.9612 5.9612 7.5374 7.5374 10.1050 10.1050 10.3464 10.3464 10.4547 10.4547 k = 0.1397 0.3349 0.7738 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1734 -35.1734 -35.1733 -35.1733 -35.1663 -35.1663 -35.1662 -35.1662 -20.4937 -20.4937 -7.2571 -7.2571 -5.3632 -5.3632 -5.2551 -5.2551 -1.5469 -1.5469 0.1267 0.1267 3.7205 3.7205 4.0199 4.0199 5.1899 5.1899 5.6553 5.6553 5.9344 5.9344 7.5215 7.5215 10.1660 10.1660 10.3250 10.3250 10.4896 10.4896 k = 0.1471 0.3223 0.7884 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1735 -35.1735 -35.1734 -35.1734 -35.1662 -35.1662 -35.1661 -35.1661 -20.4933 -20.4933 -7.2577 -7.2577 -5.3581 -5.3581 -5.2612 -5.2612 -1.5595 -1.5595 0.1498 0.1498 3.7238 3.7238 4.0208 4.0208 5.1417 5.1417 5.6188 5.6188 5.9102 5.9102 7.5002 7.5002 10.2226 10.2226 10.3148 10.3148 10.5232 10.5232 k = 0.1544 0.3097 0.8030 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1736 -35.1736 -35.1735 -35.1735 -35.1661 -35.1661 -35.1661 -35.1661 -20.4929 -20.4929 -7.2584 -7.2584 -5.3532 -5.3532 -5.2670 -5.2670 -1.5717 -1.5717 0.1728 0.1728 3.7282 3.7282 4.0164 4.0164 5.0934 5.0934 5.5933 5.5933 5.8883 5.8883 7.4734 7.4734 10.2716 10.2716 10.3188 10.3188 10.5559 10.5559 k = 0.1618 0.2971 0.8176 ( 6388 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1737 -35.1737 -35.1736 -35.1736 -35.1661 -35.1661 -35.1660 -35.1660 -20.4925 -20.4925 -7.2590 -7.2590 -5.3485 -5.3485 -5.2724 -5.2724 -1.5836 -1.5836 0.1954 0.1954 3.7337 3.7337 4.0069 4.0069 5.0454 5.0454 5.5786 5.5786 5.8686 5.8686 7.4416 7.4416 10.3049 10.3049 10.3447 10.3447 10.5883 10.5883 k = 0.1691 0.2845 0.8322 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1738 -35.1738 -35.1737 -35.1737 -35.1660 -35.1660 -35.1659 -35.1659 -20.4922 -20.4922 -7.2597 -7.2597 -5.3441 -5.3441 -5.2774 -5.2774 -1.5951 -1.5951 0.2175 0.2175 3.7402 3.7402 3.9929 3.9929 4.9985 4.9985 5.5739 5.5739 5.8510 5.8510 7.4052 7.4052 10.3302 10.3302 10.3842 10.3842 10.6205 10.6205 k = 0.1765 0.2719 0.8468 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1738 -35.1738 -35.1737 -35.1737 -35.1659 -35.1659 -35.1659 -35.1659 -20.4918 -20.4918 -7.2603 -7.2603 -5.3402 -5.3402 -5.2819 -5.2819 -1.6059 -1.6059 0.2388 0.2388 3.7475 3.7475 3.9752 3.9752 4.9529 4.9529 5.5780 5.5780 5.8353 5.8353 7.3651 7.3651 10.3600 10.3600 10.4239 10.4239 10.6524 10.6524 k = 0.1838 0.2593 0.8614 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1739 -35.1739 -35.1738 -35.1738 -35.1659 -35.1659 -35.1658 -35.1658 -20.4915 -20.4915 -7.2609 -7.2609 -5.3368 -5.3368 -5.2857 -5.2857 -1.6161 -1.6161 0.2590 0.2590 3.7554 3.7554 3.9550 3.9550 4.9094 4.9094 5.5894 5.5894 5.8216 5.8216 7.3223 7.3223 10.3955 10.3955 10.4620 10.4620 10.6835 10.6835 k = 0.1912 0.2466 0.8760 ( 6394 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1739 -35.1739 -35.1739 -35.1739 -35.1658 -35.1658 -35.1657 -35.1657 -20.4912 -20.4912 -7.2614 -7.2614 -5.3339 -5.3339 -5.2889 -5.2889 -1.6255 -1.6255 0.2779 0.2779 3.7637 3.7637 3.9336 3.9336 4.8683 4.8683 5.6066 5.6066 5.8097 5.8097 7.2779 7.2779 10.4343 10.4343 10.5001 10.5001 10.7131 10.7131 k = 0.1985 0.2340 0.8906 ( 6402 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1740 -35.1740 -35.1739 -35.1739 -35.1658 -35.1658 -35.1657 -35.1657 -20.4909 -20.4909 -7.2619 -7.2619 -5.3317 -5.3317 -5.2913 -5.2913 -1.6340 -1.6340 0.2954 0.2954 3.7719 3.7719 3.9120 3.9120 4.8303 4.8303 5.6276 5.6276 5.7999 5.7999 7.2333 7.2333 10.4713 10.4713 10.5420 10.5420 10.7402 10.7402 k = 0.2059 0.2214 0.9052 ( 6400 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1740 -35.1740 -35.1740 -35.1740 -35.1657 -35.1657 -35.1657 -35.1657 -20.4907 -20.4907 -7.2624 -7.2624 -5.3302 -5.3302 -5.2930 -5.2930 -1.6416 -1.6416 0.3110 0.3110 3.7795 3.7795 3.8917 3.8917 4.7958 4.7958 5.6504 5.6504 5.7922 5.7922 7.1898 7.1898 10.5025 10.5025 10.5904 10.5904 10.7643 10.7643 k = 0.2132 0.2088 0.9199 ( 6402 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1740 -35.1740 -35.1657 -35.1657 -35.1656 -35.1656 -20.4905 -20.4905 -7.2628 -7.2628 -5.3293 -5.3293 -5.2940 -5.2940 -1.6481 -1.6481 0.3247 0.3247 3.7860 3.7860 3.8738 3.8738 4.7654 4.7654 5.6729 5.6729 5.7870 5.7870 7.1489 7.1489 10.5271 10.5271 10.6439 10.6439 10.7848 10.7848 k = 0.2206 0.1962 0.9345 ( 6398 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1740 -35.1740 -35.1657 -35.1657 -35.1656 -35.1656 -20.4903 -20.4903 -7.2632 -7.2632 -5.3288 -5.3288 -5.2945 -5.2945 -1.6536 -1.6536 0.3362 0.3362 3.7906 3.7906 3.8595 3.8595 4.7397 4.7397 5.6926 5.6926 5.7849 5.7849 7.1123 7.1123 10.5464 10.5464 10.6982 10.6982 10.8014 10.8014 k = 0.2279 0.1836 0.9491 ( 6398 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1740 -35.1740 -35.1657 -35.1657 -35.1656 -35.1656 -20.4902 -20.4902 -7.2634 -7.2634 -5.3287 -5.3287 -5.2947 -5.2947 -1.6579 -1.6579 0.3454 0.3454 3.7925 3.7925 3.8497 3.8497 4.7190 4.7190 5.7075 5.7075 5.7861 5.7861 7.0817 7.0817 10.5611 10.5611 10.7487 10.7487 10.8141 10.8141 k = 0.2353 0.1710 0.9637 ( 6402 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1656 -35.1656 -20.4901 -20.4901 -7.2636 -7.2636 -5.3288 -5.3288 -5.2947 -5.2947 -1.6610 -1.6610 0.3520 0.3520 3.7922 3.7922 3.8445 3.8445 4.7039 4.7039 5.7168 5.7168 5.7897 5.7897 7.0584 7.0584 10.5716 10.5716 10.7903 10.7903 10.8230 10.8230 k = 0.2426 0.1583 0.9783 ( 6400 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2637 -7.2637 -5.3289 -5.3289 -5.2946 -5.2946 -1.6629 -1.6629 0.3560 0.3560 3.7909 3.7909 3.8423 3.8423 4.6946 4.6946 5.7214 5.7214 5.7934 5.7934 7.0439 7.0439 10.5780 10.5780 10.8180 10.8180 10.8284 10.8284 k = 0.2500 0.1457 0.9929 ( 6392 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3289 -5.3289 -5.2946 -5.2946 -1.6635 -1.6635 0.3574 0.3574 3.7903 3.7903 3.8418 3.8418 4.6915 4.6915 5.7228 5.7228 5.7950 5.7950 7.0390 7.0390 10.5801 10.5801 10.8273 10.8273 10.8306 10.8306 k = 0.2500 0.1457 0.9929 ( 6392 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3289 -5.3289 -5.2946 -5.2946 -1.6635 -1.6635 0.3574 0.3574 3.7903 3.7903 3.8418 3.8418 4.6915 4.6915 5.7228 5.7228 5.7950 5.7950 7.0390 7.0390 10.5801 10.5801 10.8273 10.8273 10.8306 10.8306 k = 0.2647 0.1543 0.9829 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3289 -5.3289 -5.2946 -5.2946 -1.6634 -1.6634 0.3573 0.3573 3.7891 3.7891 3.8434 3.8434 4.6901 4.6901 5.7210 5.7210 5.7962 5.7962 7.0461 7.0461 10.5615 10.5615 10.7520 10.7520 10.9055 10.9055 k = 0.2794 0.1629 0.9730 ( 6402 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1656 -35.1656 -20.4900 -20.4900 -7.2638 -7.2638 -5.3289 -5.3289 -5.2946 -5.2946 -1.6631 -1.6631 0.3569 0.3569 3.7865 3.7865 3.8477 3.8477 4.6854 4.6854 5.7158 5.7158 5.7997 5.7997 7.0672 7.0672 10.5089 10.5089 10.6748 10.6748 10.9812 10.9812 k = 0.2941 0.1714 0.9631 ( 6409 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1656 -35.1656 -20.4900 -20.4900 -7.2637 -7.2637 -5.3288 -5.3288 -5.2947 -5.2947 -1.6625 -1.6625 0.3560 0.3560 3.7840 3.7840 3.8539 3.8539 4.6776 4.6776 5.7074 5.7074 5.8053 5.8053 7.1013 7.1013 10.4298 10.4298 10.5977 10.5977 11.0556 11.0556 k = 0.3088 0.1800 0.9532 ( 6405 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1656 -35.1656 -20.4901 -20.4901 -7.2636 -7.2636 -5.3288 -5.3288 -5.2947 -5.2947 -1.6617 -1.6617 0.3545 0.3545 3.7826 3.7826 3.8613 3.8613 4.6667 4.6667 5.6964 5.6964 5.8128 5.8128 7.1473 7.1473 10.3306 10.3306 10.5226 10.5226 11.1284 11.1284 k = 0.3235 0.1886 0.9432 ( 6397 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1656 -35.1656 -20.4901 -20.4901 -7.2636 -7.2636 -5.3287 -5.3287 -5.2948 -5.2948 -1.6605 -1.6605 0.3522 0.3522 3.7833 3.7833 3.8696 3.8696 4.6531 4.6531 5.6835 5.6835 5.8218 5.8218 7.2038 7.2038 10.2168 10.2168 10.4513 10.4513 11.1997 11.1997 k = 0.3382 0.1972 0.9333 ( 6393 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1656 -35.1656 -20.4902 -20.4902 -7.2635 -7.2635 -5.3285 -5.3285 -5.2950 -5.2950 -1.6589 -1.6589 0.3489 0.3489 3.7868 3.7868 3.8784 3.8784 4.6373 4.6373 5.6692 5.6692 5.8318 5.8318 7.2692 7.2692 10.0933 10.0933 10.3846 10.3846 11.2694 11.2694 k = 0.3529 0.2057 0.9234 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1656 -35.1656 -20.4902 -20.4902 -7.2634 -7.2634 -5.3284 -5.3284 -5.2951 -5.2951 -1.6570 -1.6570 0.3445 0.3445 3.7934 3.7934 3.8874 3.8874 4.6199 4.6199 5.6541 5.6541 5.8426 5.8426 7.3420 7.3420 9.9641 9.9641 10.3226 10.3226 11.3377 11.3377 k = 0.3676 0.2143 0.9135 ( 6390 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1740 -35.1740 -35.1656 -35.1656 -35.1656 -35.1656 -20.4903 -20.4903 -7.2632 -7.2632 -5.3282 -5.3282 -5.2954 -5.2954 -1.6546 -1.6546 0.3390 0.3390 3.8036 3.8036 3.8966 3.8966 4.6016 4.6016 5.6384 5.6384 5.8540 5.8540 7.4207 7.4207 9.8324 9.8324 10.2652 10.2652 11.4049 11.4049 k = 0.3824 0.2229 0.9036 ( 6391 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1739 -35.1739 -35.1656 -35.1656 -35.1656 -35.1656 -20.4904 -20.4904 -7.2631 -7.2631 -5.3279 -5.3279 -5.2956 -5.2956 -1.6517 -1.6517 0.3322 0.3322 3.8174 3.8174 3.9059 3.9059 4.5829 4.5829 5.6223 5.6223 5.8658 5.8658 7.5035 7.5035 9.7009 9.7009 10.2126 10.2126 11.4713 11.4713 k = 0.3971 0.2314 0.8936 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1739 -35.1739 -35.1657 -35.1657 -35.1656 -35.1656 -20.4904 -20.4904 -7.2629 -7.2629 -5.3277 -5.3277 -5.2960 -5.2960 -1.6484 -1.6484 0.3240 0.3240 3.8350 3.8350 3.9151 3.9151 4.5646 4.5646 5.6059 5.6059 5.8779 5.8779 7.5888 7.5888 9.5718 9.5718 10.1649 10.1649 11.5374 11.5374 k = 0.4118 0.2400 0.8837 ( 6384 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4578 -35.4578 -35.4577 -35.4577 -35.1742 -35.1742 -35.1738 -35.1738 -35.1657 -35.1657 -35.1656 -35.1656 -20.4905 -20.4905 -7.2628 -7.2628 -5.3273 -5.3273 -5.2963 -5.2963 -1.6446 -1.6446 0.3146 0.3146 3.8561 3.8561 3.9243 3.9243 4.5472 4.5472 5.5894 5.5894 5.8901 5.8901 7.6745 7.6745 9.4476 9.4476 10.1222 10.1222 11.6032 11.6032 k = 0.4265 0.2486 0.8738 ( 6385 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1742 -35.1742 -35.1738 -35.1738 -35.1657 -35.1657 -35.1657 -35.1657 -20.4906 -20.4906 -7.2626 -7.2626 -5.3270 -5.3270 -5.2967 -5.2967 -1.6404 -1.6404 0.3038 0.3038 3.8804 3.8804 3.9337 3.9337 4.5312 4.5312 5.5727 5.5727 5.9023 5.9023 7.7580 7.7580 9.3310 9.3310 10.0848 10.0848 11.6687 11.6687 k = 0.4412 0.2572 0.8639 ( 6385 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1742 -35.1742 -35.1738 -35.1738 -35.1657 -35.1657 -35.1657 -35.1657 -20.4907 -20.4907 -7.2624 -7.2624 -5.3266 -5.3266 -5.2972 -5.2972 -1.6357 -1.6357 0.2917 0.2917 3.9071 3.9071 3.9439 3.9439 4.5171 4.5171 5.5560 5.5560 5.9143 5.9143 7.8362 7.8362 9.2253 9.2253 10.0527 10.0527 11.7329 11.7329 k = 0.4559 0.2657 0.8539 ( 6381 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1742 -35.1742 -35.1737 -35.1737 -35.1658 -35.1658 -35.1657 -35.1657 -20.4909 -20.4909 -7.2622 -7.2622 -5.3262 -5.3262 -5.2976 -5.2976 -1.6306 -1.6306 0.2786 0.2786 3.9325 3.9325 3.9580 3.9580 4.5055 4.5055 5.5394 5.5394 5.9261 5.9261 7.9046 7.9046 9.1351 9.1351 10.0262 10.0262 11.7937 11.7937 k = 0.4706 0.2743 0.8440 ( 6387 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4576 -35.4576 -35.1742 -35.1742 -35.1737 -35.1737 -35.1658 -35.1658 -35.1657 -35.1657 -20.4910 -20.4910 -7.2619 -7.2619 -5.3257 -5.3257 -5.2981 -5.2981 -1.6252 -1.6252 0.2644 0.2644 3.9492 3.9492 3.9828 3.9828 4.4966 4.4966 5.5232 5.5232 5.9373 5.9373 7.9577 7.9577 9.0661 9.0661 10.0054 10.0054 11.8452 11.8452 k = 0.4853 0.2829 0.8341 ( 6386 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4579 -35.4579 -35.4575 -35.4575 -35.1742 -35.1742 -35.1736 -35.1736 -35.1658 -35.1658 -35.1657 -35.1657 -20.4911 -20.4911 -7.2617 -7.2617 -5.3253 -5.3253 -5.2985 -5.2985 -1.6194 -1.6194 0.2493 0.2493 3.9595 3.9595 4.0154 4.0154 4.4909 4.4909 5.5076 5.5076 5.9480 5.9480 7.9892 7.9892 9.0244 9.0244 9.9904 9.9904 11.8768 11.8768 k = 0.5000 0.2915 0.8242 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1736 -35.1736 -35.1659 -35.1659 -35.1657 -35.1657 -20.4913 -20.4913 -7.2614 -7.2614 -5.3248 -5.3248 -5.2989 -5.2989 -1.6134 -1.6134 0.2336 0.2336 3.9679 3.9679 4.0503 4.0503 4.4889 4.4889 5.4930 5.4930 5.9579 5.9579 7.9950 7.9950 9.0145 9.0145 9.9813 9.9813 11.8795 11.8795 k = 0.5000 0.2915 0.8242 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1742 -35.1742 -35.1736 -35.1736 -35.1659 -35.1659 -35.1657 -35.1657 -20.4913 -20.4913 -7.2614 -7.2614 -5.3248 -5.3248 -5.2989 -5.2989 -1.6134 -1.6134 0.2336 0.2336 3.9679 3.9679 4.0503 4.0503 4.4889 4.4889 5.4930 5.4930 5.9579 5.9579 7.9950 7.9950 9.0145 9.0145 9.9813 9.9813 11.8795 11.8795 k = 0.5000 0.2915 0.8036 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4580 -35.4580 -35.4575 -35.4575 -35.1743 -35.1743 -35.1734 -35.1734 -35.1660 -35.1660 -35.1657 -35.1657 -20.4916 -20.4916 -7.2607 -7.2607 -5.3240 -5.3240 -5.2996 -5.2996 -1.6003 -1.6003 0.1993 0.1993 3.9850 3.9850 4.1273 4.1273 4.4877 4.4877 5.4652 5.4652 5.9787 5.9787 7.9793 7.9793 9.0258 9.0258 9.9683 9.9683 11.8545 11.8545 k = 0.5000 0.2915 0.7830 ( 6400 PWs) bands (ev): -68.5171 -68.5171 -68.5170 -68.5170 -35.4581 -35.4581 -35.4574 -35.4574 -35.1743 -35.1743 -35.1733 -35.1733 -35.1661 -35.1661 -35.1657 -35.1657 -20.4919 -20.4919 -7.2600 -7.2600 -5.3232 -5.3232 -5.3000 -5.3000 -1.5865 -1.5865 0.1631 0.1631 4.0035 4.0035 4.2109 4.2109 4.4846 4.4846 5.4405 5.4405 6.0019 6.0019 7.9636 7.9636 9.0320 9.0320 9.9544 9.9544 11.8227 11.8227 k = 0.5000 0.2915 0.7624 ( 6400 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4581 -35.4581 -35.4573 -35.4573 -35.1743 -35.1743 -35.1731 -35.1731 -35.1662 -35.1662 -35.1658 -35.1658 -20.4923 -20.4923 -7.2592 -7.2592 -5.3226 -5.3226 -5.3000 -5.3000 -1.5723 -1.5723 0.1254 0.1254 4.0239 4.0239 4.3001 4.3001 4.4795 4.4795 5.4201 5.4201 6.0274 6.0274 7.9484 7.9484 9.0324 9.0324 9.9398 9.9398 11.7818 11.7818 k = 0.5000 0.2915 0.7418 ( 6392 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4582 -35.4582 -35.4573 -35.4573 -35.1743 -35.1743 -35.1729 -35.1729 -35.1663 -35.1663 -35.1658 -35.1658 -20.4927 -20.4927 -7.2583 -7.2583 -5.3223 -5.3223 -5.2995 -5.2995 -1.5579 -1.5579 0.0866 0.0866 4.0461 4.0461 4.3931 4.3931 4.4733 4.4733 5.4052 5.4052 6.0553 6.0553 7.9343 7.9343 9.0266 9.0266 9.9243 9.9243 11.7285 11.7285 k = 0.5000 0.2915 0.7212 ( 6380 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4572 -35.4572 -35.1744 -35.1744 -35.1727 -35.1727 -35.1664 -35.1664 -35.1658 -35.1658 -20.4931 -20.4931 -7.2573 -7.2573 -5.3222 -5.3222 -5.2985 -5.2985 -1.5436 -1.5436 0.0471 0.0471 4.0701 4.0701 4.4523 4.4523 4.5030 4.5030 5.3964 5.3964 6.0854 6.0854 7.9218 7.9218 9.0147 9.0147 9.9079 9.9079 11.6538 11.6538 k = 0.5000 0.2915 0.7005 ( 6382 PWs) bands (ev): -68.5172 -68.5172 -68.5170 -68.5170 -35.4583 -35.4583 -35.4571 -35.4571 -35.1744 -35.1744 -35.1726 -35.1726 -35.1665 -35.1665 -35.1658 -35.1658 -20.4936 -20.4936 -7.2562 -7.2562 -5.3225 -5.3225 -5.2969 -5.2969 -1.5297 -1.5297 0.0072 0.0072 4.0961 4.0961 4.4438 4.4438 4.6021 4.6021 5.3942 5.3942 6.1177 6.1177 7.9114 7.9114 8.9968 8.9968 9.8904 9.8904 11.5516 11.5516 k = 0.5000 0.2915 0.6799 ( 6384 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4584 -35.4584 -35.4570 -35.4570 -35.1745 -35.1745 -35.1724 -35.1724 -35.1666 -35.1666 -35.1659 -35.1659 -20.4941 -20.4941 -7.2550 -7.2550 -5.3230 -5.3230 -5.2947 -5.2947 -1.5163 -1.5163 -0.0328 -0.0328 4.1239 4.1239 4.4296 4.4296 4.7083 4.7083 5.3989 5.3989 6.1522 6.1522 7.9035 7.9035 8.9736 8.9736 9.8714 9.8714 11.4329 11.4329 k = 0.5000 0.2915 0.6593 ( 6382 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4585 -35.4585 -35.4569 -35.4569 -35.1745 -35.1745 -35.1722 -35.1722 -35.1667 -35.1667 -35.1659 -35.1659 -20.4946 -20.4946 -7.2537 -7.2537 -5.3237 -5.3237 -5.2919 -5.2919 -1.5039 -1.5039 -0.0727 -0.0727 4.1536 4.1536 4.4139 4.4139 4.8177 4.8177 5.4102 5.4102 6.1889 6.1889 7.8989 7.8989 8.9458 8.9458 9.8503 9.8503 11.3077 11.3077 k = 0.5000 0.2915 0.6387 ( 6386 PWs) bands (ev): -68.5172 -68.5172 -68.5169 -68.5169 -35.4586 -35.4586 -35.4568 -35.4568 -35.1746 -35.1746 -35.1720 -35.1720 -35.1669 -35.1669 -35.1659 -35.1659 -20.4951 -20.4951 -7.2523 -7.2523 -5.3245 -5.3245 -5.2886 -5.2886 -1.4927 -1.4927 -0.1121 -0.1121 4.1852 4.1852 4.3978 4.3978 4.9293 4.9293 5.4277 5.4277 6.2277 6.2277 7.8981 7.8981 8.9142 8.9142 9.8262 9.8262 11.1811 11.1811 k = 0.5000 0.2915 0.6181 ( 6394 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4587 -35.4587 -35.4567 -35.4567 -35.1747 -35.1747 -35.1717 -35.1717 -35.1670 -35.1670 -35.1659 -35.1659 -20.4957 -20.4957 -7.2508 -7.2508 -5.3253 -5.3253 -5.2849 -5.2849 -1.4829 -1.4829 -0.1509 -0.1509 4.2187 4.2187 4.3824 4.3824 5.0422 5.0422 5.4511 5.4511 6.2687 6.2687 7.9016 7.9016 8.8797 8.8797 9.7979 9.7979 11.0566 11.0566 k = 0.5000 0.2915 0.5975 ( 6398 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4588 -35.4588 -35.4566 -35.4566 -35.1747 -35.1747 -35.1715 -35.1715 -35.1671 -35.1671 -35.1660 -35.1660 -20.4962 -20.4962 -7.2492 -7.2492 -5.3261 -5.3261 -5.2807 -5.2807 -1.4748 -1.4748 -0.1890 -0.1890 4.2540 4.2540 4.3687 4.3687 5.1556 5.1556 5.4798 5.4798 6.3116 6.3116 7.9101 7.9101 8.8432 8.8432 9.7637 9.7637 10.9374 10.9374 k = 0.5000 0.2915 0.5769 ( 6392 PWs) bands (ev): -68.5173 -68.5173 -68.5169 -68.5169 -35.4588 -35.4588 -35.4565 -35.4565 -35.1748 -35.1748 -35.1713 -35.1713 -35.1672 -35.1672 -35.1660 -35.1660 -20.4968 -20.4968 -7.2476 -7.2476 -5.3269 -5.3269 -5.2761 -5.2761 -1.4685 -1.4685 -0.2261 -0.2261 4.2913 4.2913 4.3575 4.3575 5.2685 5.2685 5.5133 5.5133 6.3565 6.3565 7.9242 7.9242 8.8055 8.8055 9.7217 9.7217 10.8267 10.8267 k = 0.5000 0.2915 0.5563 ( 6388 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4589 -35.4589 -35.4564 -35.4564 -35.1749 -35.1749 -35.1710 -35.1710 -35.1673 -35.1673 -35.1660 -35.1660 -20.4974 -20.4974 -7.2458 -7.2458 -5.3276 -5.3276 -5.2711 -5.2711 -1.4643 -1.4643 -0.2622 -0.2622 4.3300 4.3300 4.3499 4.3499 5.3796 5.3796 5.5518 5.5518 6.4033 6.4033 7.9446 7.9446 8.7673 8.7673 9.6696 9.6696 10.7276 10.7276 k = 0.5000 0.2915 0.5357 ( 6390 PWs) bands (ev): -68.5173 -68.5173 -68.5168 -68.5168 -35.4590 -35.4590 -35.4563 -35.4563 -35.1750 -35.1750 -35.1708 -35.1708 -35.1674 -35.1674 -35.1661 -35.1661 -20.4980 -20.4980 -7.2440 -7.2440 -5.3283 -5.3283 -5.2658 -5.2658 -1.4622 -1.4622 -0.2971 -0.2971 4.3448 4.3448 4.3722 4.3722 5.4860 5.4860 5.5965 5.5965 6.4520 6.4520 7.9718 7.9718 8.7292 8.7292 9.6055 9.6055 10.6427 10.6427 k = 0.5000 0.2915 0.5151 ( 6394 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4591 -35.4591 -35.4562 -35.4562 -35.1751 -35.1751 -35.1706 -35.1706 -35.1675 -35.1675 -35.1661 -35.1661 -20.4986 -20.4986 -7.2421 -7.2421 -5.3288 -5.3288 -5.2601 -5.2601 -1.4625 -1.4625 -0.3308 -0.3308 4.3455 4.3455 4.4149 4.4149 5.5795 5.5795 5.6545 5.6545 6.5023 6.5023 8.0063 8.0063 8.6919 8.6919 9.5282 9.5282 10.5735 10.5735 k = 0.5000 0.2915 0.4945 ( 6394 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4592 -35.4592 -35.4561 -35.4561 -35.1752 -35.1752 -35.1703 -35.1703 -35.1676 -35.1676 -35.1662 -35.1662 -20.4992 -20.4992 -7.2401 -7.2401 -5.3292 -5.3292 -5.2540 -5.2540 -1.4651 -1.4651 -0.3633 -0.3633 4.3510 4.3510 4.4597 4.4597 5.6475 5.6475 5.7367 5.7367 6.5544 6.5544 8.0486 8.0486 8.6558 8.6558 9.4378 9.4378 10.5186 10.5186 k = 0.5000 0.2915 0.4739 ( 6392 PWs) bands (ev): -68.5174 -68.5174 -68.5168 -68.5168 -35.4593 -35.4593 -35.4560 -35.4560 -35.1753 -35.1753 -35.1701 -35.1701 -35.1677 -35.1677 -35.1662 -35.1662 -20.4998 -20.4998 -7.2381 -7.2381 -5.3296 -5.3296 -5.2476 -5.2476 -1.4700 -1.4700 -0.3943 -0.3943 4.3617 4.3617 4.5065 4.5065 5.7002 5.7002 5.8320 5.8320 6.6079 6.6079 8.0988 8.0988 8.6212 8.6212 9.3357 9.3357 10.4368 10.4368 k = 0.5000 0.2915 0.4533 ( 6396 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4594 -35.4594 -35.4559 -35.4559 -35.1754 -35.1754 -35.1698 -35.1698 -35.1678 -35.1678 -35.1662 -35.1662 -20.5004 -20.5004 -7.2361 -7.2361 -5.3298 -5.3298 -5.2408 -5.2408 -1.4772 -1.4772 -0.4240 -0.4240 4.3781 4.3781 4.5551 4.5551 5.7486 5.7486 5.9281 5.9281 6.6628 6.6628 8.1569 8.1569 8.5883 8.5883 9.2239 9.2239 10.3026 10.3026 k = 0.5000 0.2915 0.4327 ( 6396 PWs) bands (ev): -68.5174 -68.5174 -68.5167 -68.5167 -35.4595 -35.4595 -35.4558 -35.4558 -35.1755 -35.1755 -35.1696 -35.1696 -35.1679 -35.1679 -35.1663 -35.1663 -20.5010 -20.5010 -7.2340 -7.2340 -5.3299 -5.3299 -5.2338 -5.2338 -1.4867 -1.4867 -0.4522 -0.4522 4.4000 4.4000 4.6056 4.6056 5.7953 5.7953 6.0212 6.0212 6.7190 6.7190 8.2223 8.2223 8.5574 8.5574 9.1047 9.1047 10.1696 10.1696 k = 0.5000 0.2915 0.4121 ( 6386 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4596 -35.4596 -35.4556 -35.4556 -35.1756 -35.1756 -35.1694 -35.1694 -35.1680 -35.1680 -35.1663 -35.1663 -20.5016 -20.5016 -7.2319 -7.2319 -5.3300 -5.3300 -5.2265 -5.2265 -1.4983 -1.4983 -0.4790 -0.4790 4.4278 4.4278 4.6579 4.6579 5.8407 5.8407 6.1103 6.1103 6.7764 6.7764 8.2935 8.2935 8.5285 8.5285 8.9804 8.9804 10.0430 10.0430 k = 0.5000 0.2915 0.3915 ( 6384 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4597 -35.4597 -35.4555 -35.4555 -35.1757 -35.1757 -35.1691 -35.1691 -35.1680 -35.1680 -35.1663 -35.1663 -20.5022 -20.5022 -7.2297 -7.2297 -5.3299 -5.3299 -5.2190 -5.2190 -1.5118 -1.5118 -0.5044 -0.5044 4.4613 4.4613 4.7120 4.7120 5.8845 5.8845 6.1949 6.1949 6.8346 6.8346 8.3670 8.3670 8.5027 8.5027 8.8528 8.8528 9.9252 9.9252 k = 0.5000 0.2915 0.3709 ( 6384 PWs) bands (ev): -68.5175 -68.5175 -68.5167 -68.5167 -35.4598 -35.4598 -35.4554 -35.4554 -35.1758 -35.1758 -35.1689 -35.1689 -35.1681 -35.1681 -35.1663 -35.1663 -20.5027 -20.5027 -7.2276 -7.2276 -5.3298 -5.3298 -5.2113 -5.2113 -1.5271 -1.5271 -0.5283 -0.5283 4.5004 4.5004 4.7679 4.7679 5.9262 5.9262 6.2751 6.2751 6.8936 6.8936 8.4274 8.4274 8.4911 8.4911 8.7235 8.7235 9.8196 9.8196 k = 0.5000 0.2915 0.3503 ( 6388 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4599 -35.4599 -35.4553 -35.4553 -35.1760 -35.1760 -35.1687 -35.1687 -35.1682 -35.1682 -35.1664 -35.1664 -20.5033 -20.5033 -7.2255 -7.2255 -5.3296 -5.3296 -5.2034 -5.2034 -1.5438 -1.5438 -0.5508 -0.5508 4.5451 4.5451 4.8255 4.8255 5.9652 5.9652 6.3511 6.3511 6.9531 6.9531 8.4261 8.4261 8.5346 8.5346 8.5952 8.5952 9.7313 9.7313 k = 0.5000 0.2915 0.3297 ( 6396 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4600 -35.4600 -35.4553 -35.4553 -35.1761 -35.1761 -35.1685 -35.1685 -35.1682 -35.1682 -35.1664 -35.1664 -20.5038 -20.5038 -7.2234 -7.2234 -5.3294 -5.3294 -5.1954 -5.1954 -1.5619 -1.5619 -0.5719 -0.5719 4.5950 4.5950 4.8847 4.8847 6.0010 6.0010 6.4233 6.4233 7.0128 7.0128 8.3965 8.3965 8.4650 8.4650 8.5943 8.5943 9.6680 9.6680 k = 0.5000 0.2915 0.3091 ( 6398 PWs) bands (ev): -68.5175 -68.5175 -68.5166 -68.5166 -35.4600 -35.4600 -35.4552 -35.4552 -35.1762 -35.1762 -35.1683 -35.1683 -35.1682 -35.1682 -35.1665 -35.1665 -20.5044 -20.5044 -7.2213 -7.2213 -5.3291 -5.3291 -5.1874 -5.1874 -1.5809 -1.5809 -0.5915 -0.5915 4.6500 4.6500 4.9455 4.9455 6.0330 6.0330 6.4922 6.4922 7.0725 7.0725 8.3243 8.3243 8.3751 8.3751 8.6315 8.6315 9.6391 9.6391 k = 0.5000 0.2915 0.2885 ( 6402 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4601 -35.4601 -35.4551 -35.4551 -35.1763 -35.1763 -35.1683 -35.1683 -35.1681 -35.1681 -35.1665 -35.1665 -20.5049 -20.5049 -7.2193 -7.2193 -5.3287 -5.3287 -5.1794 -5.1794 -1.6006 -1.6006 -0.6098 -0.6098 4.7097 4.7097 5.0077 5.0077 6.0608 6.0608 6.5585 6.5585 7.1319 7.1319 8.2012 8.2012 8.3318 8.3318 8.6392 8.6392 9.6524 9.6524 k = 0.5000 0.2915 0.2679 ( 6390 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4602 -35.4602 -35.4550 -35.4550 -35.1764 -35.1764 -35.1684 -35.1684 -35.1678 -35.1678 -35.1665 -35.1665 -20.5053 -20.5053 -7.2174 -7.2174 -5.3284 -5.3284 -5.1715 -5.1715 -1.6207 -1.6207 -0.6266 -0.6266 4.7737 4.7737 5.0713 5.0713 6.0839 6.0839 6.6227 6.6227 7.1905 7.1905 8.0765 8.0765 8.2863 8.2863 8.6147 8.6147 9.7087 9.7087 k = 0.5000 0.2915 0.2473 ( 6394 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4603 -35.4603 -35.4549 -35.4549 -35.1765 -35.1765 -35.1684 -35.1684 -35.1677 -35.1677 -35.1665 -35.1665 -20.5058 -20.5058 -7.2156 -7.2156 -5.3280 -5.3280 -5.1638 -5.1638 -1.6408 -1.6408 -0.6421 -0.6421 4.8417 4.8417 5.1360 5.1360 6.1017 6.1017 6.6855 6.6855 7.2481 7.2481 7.9540 7.9540 8.2350 8.2350 8.5638 8.5638 9.8001 9.8001 k = 0.5000 0.2915 0.2266 ( 6394 PWs) bands (ev): -68.5176 -68.5176 -68.5166 -68.5166 -35.4604 -35.4604 -35.4548 -35.4548 -35.1766 -35.1766 -35.1684 -35.1684 -35.1675 -35.1675 -35.1666 -35.1666 -20.5062 -20.5062 -7.2138 -7.2138 -5.3276 -5.3276 -5.1563 -5.1563 -1.6607 -1.6607 -0.6563 -0.6563 4.9133 4.9133 5.2015 5.2015 6.1140 6.1140 6.7474 6.7474 7.3041 7.3041 7.8344 7.8344 8.1781 8.1781 8.4947 8.4947 9.8792 9.8792 k = 0.5000 0.2915 0.2060 ( 6394 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4604 -35.4604 -35.4548 -35.4548 -35.1767 -35.1767 -35.1685 -35.1685 -35.1673 -35.1673 -35.1666 -35.1666 -20.5066 -20.5066 -7.2122 -7.2122 -5.3272 -5.3272 -5.1491 -5.1491 -1.6800 -1.6800 -0.6691 -0.6691 4.9878 4.9878 5.2676 5.2676 6.1203 6.1203 6.8088 6.8088 7.3580 7.3580 7.7186 7.7186 8.1166 8.1166 8.4145 8.4145 9.9072 9.9072 k = 0.5000 0.2915 0.1854 ( 6386 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4605 -35.4605 -35.4547 -35.4547 -35.1768 -35.1768 -35.1685 -35.1685 -35.1672 -35.1672 -35.1666 -35.1666 -20.5070 -20.5070 -7.2107 -7.2107 -5.3268 -5.3268 -5.1422 -5.1422 -1.6985 -1.6985 -0.6806 -0.6806 5.0648 5.0648 5.3338 5.3338 6.1203 6.1203 6.8702 6.8702 7.4093 7.4093 7.6071 7.6071 8.0523 8.0523 8.3284 8.3284 9.9504 9.9504 k = 0.5000 0.2915 0.1648 ( 6390 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4605 -35.4605 -35.4547 -35.4547 -35.1769 -35.1769 -35.1685 -35.1685 -35.1671 -35.1671 -35.1666 -35.1666 -20.5073 -20.5073 -7.2093 -7.2093 -5.3264 -5.3264 -5.1359 -5.1359 -1.7159 -1.7159 -0.6909 -0.6909 5.1436 5.1436 5.3996 5.3996 6.1136 6.1136 6.9319 6.9319 7.4564 7.4564 7.5017 7.5017 7.9871 7.9871 8.2396 8.2396 10.0107 10.0107 k = 0.5000 0.2915 0.1442 ( 6380 PWs) bands (ev): -68.5176 -68.5176 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1770 -35.1770 -35.1685 -35.1685 -35.1669 -35.1669 -35.1666 -35.1666 -20.5076 -20.5076 -7.2080 -7.2080 -5.3261 -5.3261 -5.1301 -5.1301 -1.7319 -1.7319 -0.6999 -0.6999 5.2236 5.2236 5.4642 5.4642 6.1001 6.1001 6.9943 6.9943 7.3991 7.3991 7.5029 7.5029 7.9234 7.9234 8.1502 8.1502 10.0867 10.0867 k = 0.5000 0.2915 0.1236 ( 6384 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4606 -35.4606 -35.4546 -35.4546 -35.1770 -35.1770 -35.1685 -35.1685 -35.1668 -35.1668 -35.1666 -35.1666 -20.5078 -20.5078 -7.2069 -7.2069 -5.3257 -5.3257 -5.1249 -5.1249 -1.7463 -1.7463 -0.7077 -0.7077 5.3038 5.3038 5.5268 5.5268 6.0794 6.0794 7.0572 7.0572 7.3061 7.3061 7.5423 7.5423 7.8632 7.8632 8.0620 8.0620 10.1766 10.1766 k = 0.5000 0.2915 0.1030 ( 6376 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4606 -35.4606 -35.4545 -35.4545 -35.1771 -35.1771 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5080 -20.5080 -7.2060 -7.2060 -5.3255 -5.3255 -5.1203 -5.1203 -1.7589 -1.7589 -0.7142 -0.7142 5.3831 5.3831 5.5861 5.5861 6.0516 6.0516 7.1206 7.1206 7.2214 7.2214 7.5766 7.5766 7.8086 7.8086 7.9763 7.9763 10.2785 10.2785 k = 0.5000 0.2915 0.0824 ( 6384 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1771 -35.1771 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5082 -20.5082 -7.2052 -7.2052 -5.3252 -5.3252 -5.1165 -5.1165 -1.7694 -1.7694 -0.7195 -0.7195 5.4602 5.4602 5.6409 5.6409 6.0168 6.0168 7.1460 7.1460 7.1852 7.1852 7.6043 7.6043 7.7615 7.7615 7.8950 7.8950 10.3899 10.3899 k = 0.5000 0.2915 0.0618 ( 6372 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1666 -35.1666 -20.5084 -20.5084 -7.2046 -7.2046 -5.3250 -5.3250 -5.1135 -5.1135 -1.7778 -1.7778 -0.7237 -0.7237 5.5327 5.5327 5.6902 5.6902 5.9754 5.9754 7.0846 7.0846 7.2473 7.2473 7.6235 7.6235 7.7233 7.7233 7.8211 7.8211 10.5073 10.5073 k = 0.5000 0.2915 0.0412 ( 6380 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5085 -20.5085 -7.2041 -7.2041 -5.3249 -5.3249 -5.1113 -5.1113 -1.7839 -1.7839 -0.7266 -0.7266 5.5961 5.5961 5.7340 5.7340 5.9285 5.9285 7.0378 7.0378 7.3057 7.3057 7.6299 7.6299 7.6956 7.6956 7.7616 7.7616 10.6239 10.6239 k = 0.5000 0.2915 0.0206 ( 6386 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4544 -35.4544 -35.1772 -35.1772 -35.1686 -35.1686 -35.1667 -35.1667 -35.1665 -35.1665 -20.5085 -20.5085 -7.2039 -7.2039 -5.3248 -5.3248 -5.1100 -5.1100 -1.7875 -1.7875 -0.7284 -0.7284 5.6420 5.6420 5.7758 5.7758 5.8786 5.8786 7.0084 7.0084 7.3528 7.3528 7.6199 7.6199 7.6787 7.6787 7.7277 7.7277 10.7225 10.7225 k = 0.5000 0.2915 0.0000 ( 6382 PWs) bands (ev): -68.5177 -68.5177 -68.5165 -68.5165 -35.4607 -35.4607 -35.4545 -35.4545 -35.1772 -35.1772 -35.1685 -35.1685 -35.1667 -35.1667 -35.1665 -35.1665 -20.5086 -20.5086 -7.2038 -7.2038 -5.3248 -5.3248 -5.1096 -5.1096 -1.7888 -1.7888 -0.7290 -0.7290 5.6590 5.6590 5.8101 5.8101 5.8401 5.8401 6.9984 6.9984 7.3725 7.3725 7.6102 7.6102 7.6729 7.6729 7.7189 7.7189 10.7606 10.7606 k = 0.0000 0.0000 0.9929 ( 6376 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2939 -5.2939 -1.6705 -1.6705 0.3852 0.3852 3.7268 3.7268 3.9053 3.9053 4.4782 4.4782 5.6611 5.6611 5.8753 5.8753 8.0722 8.0722 8.9022 8.9022 10.0367 10.0367 11.9426 11.9426 k = 0.0179 0.0104 0.9929 ( 6372 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2939 -5.2939 -1.6704 -1.6704 0.3848 0.3848 3.7273 3.7273 3.9047 3.9047 4.4806 4.4806 5.6616 5.6616 5.8745 5.8745 8.0437 8.0437 8.9354 8.9354 10.0412 10.0412 11.9344 11.9344 k = 0.0357 0.0208 0.9929 ( 6368 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2939 -5.2939 -1.6701 -1.6701 0.3838 0.3838 3.7289 3.7289 3.9032 3.9032 4.4876 4.4876 5.6631 5.6631 5.8723 5.8723 7.9695 7.9695 9.0237 9.0237 10.0546 10.0546 11.9091 11.9091 k = 0.0536 0.0312 0.9929 ( 6356 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4577 -35.4577 -35.4577 -35.4577 -35.1741 -35.1741 -35.1740 -35.1740 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3294 -5.3294 -5.2940 -5.2940 -1.6697 -1.6697 0.3821 0.3821 3.7315 3.7315 3.9006 3.9006 4.4990 4.4990 5.6654 5.6654 5.8687 5.8687 7.8695 7.8695 9.1472 9.1472 10.0768 10.0768 11.8654 11.8654 k = 0.0714 0.0416 0.9929 ( 6370 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4577 -35.4577 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3293 -5.3293 -5.2940 -5.2940 -1.6691 -1.6691 0.3799 0.3799 3.7350 3.7350 3.8971 3.8971 4.5144 4.5144 5.6687 5.6687 5.8637 5.8637 7.7586 7.7586 9.2909 9.2909 10.1078 10.1078 11.8044 11.8044 k = 0.0893 0.0520 0.9929 ( 6378 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3293 -5.3293 -5.2941 -5.2941 -1.6685 -1.6685 0.3773 0.3773 3.7394 3.7394 3.8926 3.8926 4.5332 4.5332 5.6729 5.6729 5.8576 5.8576 7.6453 7.6453 9.4462 9.4462 10.1472 10.1472 11.7289 11.7289 k = 0.1071 0.0625 0.9929 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3292 -5.3292 -5.2941 -5.2941 -1.6677 -1.6677 0.3743 0.3743 3.7447 3.7447 3.8874 3.8874 4.5547 4.5547 5.6779 5.6779 5.8505 5.8505 7.5348 7.5348 9.6078 9.6078 10.1949 10.1949 11.6422 11.6422 k = 0.1250 0.0729 0.9929 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3292 -5.3292 -5.2942 -5.2942 -1.6670 -1.6670 0.3712 0.3712 3.7507 3.7507 3.8814 3.8814 4.5780 4.5780 5.6837 5.6837 5.8426 5.8426 7.4303 7.4303 9.7719 9.7719 10.2506 10.2506 11.5473 11.5473 k = 0.1429 0.0833 0.9929 ( 6392 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3291 -5.3291 -5.2943 -5.2943 -1.6662 -1.6662 0.3681 0.3681 3.7573 3.7573 3.8748 3.8748 4.6019 4.6019 5.6901 5.6901 5.8341 5.8341 7.3344 7.3344 9.9351 9.9351 10.3142 10.3142 11.4468 11.4468 k = 0.1607 0.0937 0.9929 ( 6410 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1742 -35.1742 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3291 -5.3291 -5.2944 -5.2944 -1.6655 -1.6655 0.3652 0.3652 3.7642 3.7642 3.8679 3.8679 4.6252 4.6252 5.6971 5.6971 5.8253 5.8253 7.2491 7.2491 10.0934 10.0934 10.3855 10.3855 11.3429 11.3429 k = 0.1786 0.1041 0.9929 ( 6400 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3290 -5.3290 -5.2944 -5.2944 -1.6648 -1.6648 0.3626 0.3626 3.7714 3.7714 3.8607 3.8607 4.6468 4.6468 5.7042 5.7042 5.8165 5.8165 7.1762 7.1762 10.2418 10.2418 10.4643 10.4643 11.2374 11.2374 k = 0.1964 0.1145 0.9929 ( 6400 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3290 -5.3290 -5.2945 -5.2945 -1.6642 -1.6642 0.3604 0.3604 3.7783 3.7783 3.8538 3.8538 4.6653 4.6653 5.7111 5.7111 5.8083 5.8083 7.1174 7.1174 10.3735 10.3735 10.5504 10.5504 11.1320 11.1320 k = 0.2143 0.1249 0.9929 ( 6400 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3290 -5.3290 -5.2945 -5.2945 -1.6638 -1.6638 0.3587 0.3587 3.7845 3.7845 3.8477 3.8477 4.6796 4.6796 5.7171 5.7171 5.8013 5.8013 7.0742 7.0742 10.4804 10.4804 10.6417 10.6417 11.0280 11.0280 k = 0.2321 0.1353 0.9929 ( 6396 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3289 -5.3289 -5.2946 -5.2946 -1.6636 -1.6636 0.3577 0.3577 3.7889 3.7889 3.8433 3.8433 4.6885 4.6885 5.7214 5.7214 5.7966 5.7966 7.0478 7.0478 10.5534 10.5534 10.7344 10.7344 10.9269 10.9269 k = 0.2500 0.1457 0.9929 ( 6392 PWs) bands (ev): -68.5171 -68.5171 -68.5171 -68.5171 -35.4578 -35.4578 -35.4578 -35.4578 -35.1741 -35.1741 -35.1741 -35.1741 -35.1656 -35.1656 -35.1655 -35.1655 -20.4900 -20.4900 -7.2638 -7.2638 -5.3289 -5.3289 -5.2946 -5.2946 -1.6635 -1.6635 0.3574 0.3574 3.7903 3.7903 3.8418 3.8418 4.6915 4.6915 5.7228 5.7228 5.7950 5.7950 7.0390 7.0390 10.5801 10.5801 10.8273 10.8273 10.8306 10.8306 Writing output data file BaxMgGex2.save init_run : 0.46s CPU 0.61s WALL ( 1 calls) electrons : 195.17s CPU 197.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 195.17s CPU 197.28s 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 : 0.04s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.07s WALL ( 312 calls) cegterg : 179.50s CPU 181.03s WALL ( 374 calls) Called by sum_band: Called by *egterg: h_psi : 136.92s CPU 138.44s WALL ( 6243 calls) s_psi : 2.65s CPU 2.52s WALL ( 6243 calls) g_psi : 0.21s CPU 0.28s WALL ( 5557 calls) cdiaghg : 36.72s CPU 37.34s WALL ( 5869 calls) cegterg:over : 5.82s CPU 5.89s WALL ( 5557 calls) cegterg:upda : 5.83s CPU 5.76s WALL ( 5557 calls) cegterg:last : 2.80s CPU 2.75s WALL ( 998 calls) cdiaghg:chol : 2.09s CPU 2.16s WALL ( 5869 calls) cdiaghg:inve : 1.31s CPU 1.38s WALL ( 5869 calls) cdiaghg:para : 2.23s CPU 2.17s WALL ( 11738 calls) Called by h_psi: h_psi:vloc : 130.42s CPU 131.79s WALL ( 6243 calls) h_psi:vnl : 6.26s CPU 6.39s WALL ( 6243 calls) add_vuspsi : 2.92s CPU 3.02s WALL ( 6243 calls) General routines calbec : 3.32s CPU 3.35s WALL ( 6243 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 120.88s CPU 121.99s WALL ( 602744 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.27s WALL ( 624 calls) Parallel routines fft_scatter : 36.02s CPU 36.99s WALL ( 602767 calls) PWSCF : 3m33.28s CPU 3m52.45s WALL This run was terminated on: 13:59:37 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=