Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:26:41 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: ./Zr2Co.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 62 17 2022 2022 298 Max 63 63 18 2027 2027 302 Sum 2261 2261 627 72905 72905 10771 bravais-lattice index = 14 lattice parameter (alat) = 9.9749 a.u. unit-cell volume = 754.0646 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.974877 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.273203 celldm(5)= -0.273203 celldm(6)= -0.453593 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.453593 0.891209 0.000000 ) a(3) = ( -0.273203 -0.445604 0.852524 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.508964 0.586494 ) b(2) = ( 0.000000 1.122072 0.586494 ) b(3) = ( 0.000000 0.000000 1.172988 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Co 17.00 58.93320 Co( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.7267967 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4456044 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.2732033 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4456044 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 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= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0000000 0.0167570), wk = 0.0031746 k( 3) = ( 0.0000000 0.0000000 0.0335139), wk = 0.0031746 k( 4) = ( 0.0000000 0.0000000 0.0502709), wk = 0.0031746 k( 5) = ( 0.0000000 0.0000000 0.0670279), wk = 0.0031746 k( 6) = ( 0.0000000 0.0000000 0.0837848), wk = 0.0031746 k( 7) = ( 0.0000000 0.0000000 0.1005418), wk = 0.0031746 k( 8) = ( 0.0000000 0.0000000 0.1172988), wk = 0.0031746 k( 9) = ( 0.0000000 0.0000000 0.1340558), wk = 0.0031746 k( 10) = ( 0.0000000 0.0000000 0.1508127), wk = 0.0031746 k( 11) = ( 0.0000000 0.0000000 0.1675697), wk = 0.0031746 k( 12) = ( 0.0000000 0.0000000 0.1843267), wk = 0.0031746 k( 13) = ( 0.0000000 0.0000000 0.2010836), wk = 0.0031746 k( 14) = ( 0.0000000 0.0000000 0.2178406), wk = 0.0031746 k( 15) = ( 0.0000000 0.0000000 0.2345976), wk = 0.0031746 k( 16) = ( 0.0000000 0.0000000 0.2513545), wk = 0.0031746 k( 17) = ( 0.0000000 0.0000000 0.2681115), wk = 0.0031746 k( 18) = ( 0.0000000 0.0000000 0.2848685), wk = 0.0031746 k( 19) = ( 0.0000000 0.0000000 0.3016255), wk = 0.0031746 k( 20) = ( 0.0000000 0.0000000 0.3183824), wk = 0.0031746 k( 21) = ( 0.0000000 0.0000000 0.3351394), wk = 0.0031746 k( 22) = ( 0.0000000 0.0000000 0.3518964), wk = 0.0031746 k( 23) = ( 0.0000000 0.0000000 0.3686533), wk = 0.0031746 k( 24) = ( 0.0000000 0.0000000 0.3854103), wk = 0.0031746 k( 25) = ( 0.0000000 0.0000000 0.4021673), wk = 0.0031746 k( 26) = ( 0.0000000 0.0000000 0.4189243), wk = 0.0031746 k( 27) = ( 0.0000000 0.0000000 0.4356812), wk = 0.0031746 k( 28) = ( 0.0000000 0.0000000 0.4524382), wk = 0.0031746 k( 29) = ( 0.0000000 0.0000000 0.4691952), wk = 0.0031746 k( 30) = ( 0.0000000 0.0000000 0.4859521), wk = 0.0031746 k( 31) = ( 0.0000000 0.0000000 0.5027091), wk = 0.0031746 k( 32) = ( 0.0000000 0.0000000 0.5194661), wk = 0.0031746 k( 33) = ( 0.0000000 0.0000000 0.5362230), wk = 0.0031746 k( 34) = ( 0.0000000 0.0000000 0.5529800), wk = 0.0031746 k( 35) = ( 0.0000000 0.0000000 0.5697370), wk = 0.0031746 k( 36) = ( 0.0000000 0.0000000 0.5864940), wk = 0.0031746 k( 37) = ( 0.0000000 0.0000000 0.5864940), wk = 0.0031746 k( 38) = ( -0.0142857 0.0087587 0.5864940), wk = 0.0031746 k( 39) = ( -0.0285714 0.0175174 0.5864940), wk = 0.0031746 k( 40) = ( -0.0428571 0.0262760 0.5864940), wk = 0.0031746 k( 41) = ( -0.0571429 0.0350347 0.5864940), wk = 0.0031746 k( 42) = ( -0.0714286 0.0437934 0.5864940), wk = 0.0031746 k( 43) = ( -0.0857143 0.0525521 0.5864940), wk = 0.0031746 k( 44) = ( -0.1000000 0.0613107 0.5864940), wk = 0.0031746 k( 45) = ( -0.1142857 0.0700694 0.5864940), wk = 0.0031746 k( 46) = ( -0.1285714 0.0788281 0.5864940), wk = 0.0031746 k( 47) = ( -0.1428571 0.0875868 0.5864940), wk = 0.0031746 k( 48) = ( -0.1571429 0.0963454 0.5864940), wk = 0.0031746 k( 49) = ( -0.1714286 0.1051041 0.5864940), wk = 0.0031746 k( 50) = ( -0.1857143 0.1138628 0.5864940), wk = 0.0031746 k( 51) = ( -0.2000000 0.1226215 0.5864940), wk = 0.0031746 k( 52) = ( -0.2142857 0.1313801 0.5864940), wk = 0.0031746 k( 53) = ( -0.2285714 0.1401388 0.5864940), wk = 0.0031746 k( 54) = ( -0.2428571 0.1488975 0.5864940), wk = 0.0031746 k( 55) = ( -0.2571429 0.1576562 0.5864940), wk = 0.0031746 k( 56) = ( -0.2714286 0.1664149 0.5864940), wk = 0.0031746 k( 57) = ( -0.2857143 0.1751735 0.5864940), wk = 0.0031746 k( 58) = ( -0.3000000 0.1839322 0.5864940), wk = 0.0031746 k( 59) = ( -0.3142857 0.1926909 0.5864940), wk = 0.0031746 k( 60) = ( -0.3285714 0.2014496 0.5864940), wk = 0.0031746 k( 61) = ( -0.3428571 0.2102082 0.5864940), wk = 0.0031746 k( 62) = ( -0.3571429 0.2189669 0.5864940), wk = 0.0031746 k( 63) = ( -0.3714286 0.2277256 0.5864940), wk = 0.0031746 k( 64) = ( -0.3857143 0.2364843 0.5864940), wk = 0.0031746 k( 65) = ( -0.4000000 0.2452429 0.5864940), wk = 0.0031746 k( 66) = ( -0.4142857 0.2540016 0.5864940), wk = 0.0031746 k( 67) = ( -0.4285714 0.2627603 0.5864940), wk = 0.0031746 k( 68) = ( -0.4428571 0.2715190 0.5864940), wk = 0.0031746 k( 69) = ( -0.4571429 0.2802777 0.5864940), wk = 0.0031746 k( 70) = ( -0.4714286 0.2890363 0.5864940), wk = 0.0031746 k( 71) = ( -0.4857143 0.2977950 0.5864940), wk = 0.0031746 k( 72) = ( -0.5000000 0.3065537 0.5864940), wk = 0.0031746 k( 73) = ( -0.5000000 0.3065537 0.5864940), wk = 0.0031746 k( 74) = ( -0.4900000 0.3004226 0.5747641), wk = 0.0031746 k( 75) = ( -0.4800000 0.2942915 0.5630342), wk = 0.0031746 k( 76) = ( -0.4700000 0.2881605 0.5513043), wk = 0.0031746 k( 77) = ( -0.4600000 0.2820294 0.5395744), wk = 0.0031746 k( 78) = ( -0.4500000 0.2758983 0.5278446), wk = 0.0031746 k( 79) = ( -0.4400000 0.2697672 0.5161147), wk = 0.0031746 k( 80) = ( -0.4300000 0.2636362 0.5043848), wk = 0.0031746 k( 81) = ( -0.4200000 0.2575051 0.4926549), wk = 0.0031746 k( 82) = ( -0.4100000 0.2513740 0.4809250), wk = 0.0031746 k( 83) = ( -0.4000000 0.2452429 0.4691952), wk = 0.0031746 k( 84) = ( -0.3900000 0.2391119 0.4574653), wk = 0.0031746 k( 85) = ( -0.3800000 0.2329808 0.4457354), wk = 0.0031746 k( 86) = ( -0.3700000 0.2268497 0.4340055), wk = 0.0031746 k( 87) = ( -0.3600000 0.2207186 0.4222756), wk = 0.0031746 k( 88) = ( -0.3500000 0.2145876 0.4105458), wk = 0.0031746 k( 89) = ( -0.3400000 0.2084565 0.3988159), wk = 0.0031746 k( 90) = ( -0.3300000 0.2023254 0.3870860), wk = 0.0031746 k( 91) = ( -0.3200000 0.1961944 0.3753561), wk = 0.0031746 k( 92) = ( -0.3100000 0.1900633 0.3636263), wk = 0.0031746 k( 93) = ( -0.3000000 0.1839322 0.3518964), wk = 0.0031746 k( 94) = ( -0.2900000 0.1778011 0.3401665), wk = 0.0031746 k( 95) = ( -0.2800000 0.1716701 0.3284366), wk = 0.0031746 k( 96) = ( -0.2700000 0.1655390 0.3167067), wk = 0.0031746 k( 97) = ( -0.2600000 0.1594079 0.3049769), wk = 0.0031746 k( 98) = ( -0.2500000 0.1532768 0.2932470), wk = 0.0031746 k( 99) = ( -0.2400000 0.1471458 0.2815171), wk = 0.0031746 k( 100) = ( -0.2300000 0.1410147 0.2697872), wk = 0.0031746 k( 101) = ( -0.2200000 0.1348836 0.2580573), wk = 0.0031746 k( 102) = ( -0.2100000 0.1287525 0.2463275), wk = 0.0031746 k( 103) = ( -0.2000000 0.1226215 0.2345976), wk = 0.0031746 k( 104) = ( -0.1900000 0.1164904 0.2228677), wk = 0.0031746 k( 105) = ( -0.1800000 0.1103593 0.2111378), wk = 0.0031746 k( 106) = ( -0.1700000 0.1042283 0.1994079), wk = 0.0031746 k( 107) = ( -0.1600000 0.0980972 0.1876781), wk = 0.0031746 k( 108) = ( -0.1500000 0.0919661 0.1759482), wk = 0.0031746 k( 109) = ( -0.1400000 0.0858350 0.1642183), wk = 0.0031746 k( 110) = ( -0.1300000 0.0797040 0.1524884), wk = 0.0031746 k( 111) = ( -0.1200000 0.0735729 0.1407585), wk = 0.0031746 k( 112) = ( -0.1100000 0.0674418 0.1290287), wk = 0.0031746 k( 113) = ( -0.1000000 0.0613107 0.1172988), wk = 0.0031746 k( 114) = ( -0.0900000 0.0551797 0.1055689), wk = 0.0031746 k( 115) = ( -0.0800000 0.0490486 0.0938390), wk = 0.0031746 k( 116) = ( -0.0700000 0.0429175 0.0821092), wk = 0.0031746 k( 117) = ( -0.0600000 0.0367864 0.0703793), wk = 0.0031746 k( 118) = ( -0.0500000 0.0306554 0.0586494), wk = 0.0031746 k( 119) = ( -0.0400000 0.0245243 0.0469195), wk = 0.0031746 k( 120) = ( -0.0300000 0.0183932 0.0351896), wk = 0.0031746 k( 121) = ( -0.0200000 0.0122621 0.0234598), wk = 0.0031746 k( 122) = ( -0.0100000 0.0061311 0.0117299), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 125) = ( 0.0087590 0.0142863 -0.0000000), wk = 0.0031746 k( 126) = ( 0.0175180 0.0285725 -0.0000000), wk = 0.0031746 k( 127) = ( 0.0262770 0.0428588 -0.0000000), wk = 0.0031746 k( 128) = ( 0.0350360 0.0571450 -0.0000000), wk = 0.0031746 k( 129) = ( 0.0437950 0.0714313 -0.0000000), wk = 0.0031746 k( 130) = ( 0.0525540 0.0857175 -0.0000000), wk = 0.0031746 k( 131) = ( 0.0613130 0.1000038 -0.0000000), wk = 0.0031746 k( 132) = ( 0.0700720 0.1142900 -0.0000000), wk = 0.0031746 k( 133) = ( 0.0788311 0.1285763 -0.0000000), wk = 0.0031746 k( 134) = ( 0.0875901 0.1428625 -0.0000000), wk = 0.0031746 k( 135) = ( 0.0963491 0.1571488 -0.0000000), wk = 0.0031746 k( 136) = ( 0.1051081 0.1714350 -0.0000000), wk = 0.0031746 k( 137) = ( 0.1138671 0.1857213 -0.0000000), wk = 0.0031746 k( 138) = ( 0.1226261 0.2000075 -0.0000000), wk = 0.0031746 k( 139) = ( 0.1313851 0.2142938 -0.0000000), wk = 0.0031746 k( 140) = ( 0.1401441 0.2285800 -0.0000000), wk = 0.0031746 k( 141) = ( 0.1489031 0.2428663 -0.0000000), wk = 0.0031746 k( 142) = ( 0.1576621 0.2571525 -0.0000000), wk = 0.0031746 k( 143) = ( 0.1664211 0.2714388 -0.0000000), wk = 0.0031746 k( 144) = ( 0.1751801 0.2857250 -0.0000000), wk = 0.0031746 k( 145) = ( 0.1839391 0.3000113 -0.0000000), wk = 0.0031746 k( 146) = ( 0.1926981 0.3142975 -0.0000000), wk = 0.0031746 k( 147) = ( 0.2014572 0.3285838 -0.0000000), wk = 0.0031746 k( 148) = ( 0.2102161 0.3428700 -0.0000000), wk = 0.0031746 k( 149) = ( 0.2189752 0.3571563 -0.0000000), wk = 0.0031746 k( 150) = ( 0.2277342 0.3714425 -0.0000000), wk = 0.0031746 k( 151) = ( 0.2364932 0.3857288 -0.0000000), wk = 0.0031746 k( 152) = ( 0.2452522 0.4000151 -0.0000000), wk = 0.0031746 k( 153) = ( 0.2540112 0.4143013 -0.0000000), wk = 0.0031746 k( 154) = ( 0.2627702 0.4285876 -0.0000000), wk = 0.0031746 k( 155) = ( 0.2715292 0.4428738 -0.0000000), wk = 0.0031746 k( 156) = ( 0.2802882 0.4571601 -0.0000000), wk = 0.0031746 k( 157) = ( 0.2890472 0.4714463 -0.0000000), wk = 0.0031746 k( 158) = ( 0.2978062 0.4857326 -0.0000000), wk = 0.0031746 k( 159) = ( 0.3065652 0.5000188 -0.0000000), wk = 0.0031746 k( 160) = ( 0.3153242 0.5143051 -0.0000000), wk = 0.0031746 k( 161) = ( 0.3240832 0.5285913 -0.0000000), wk = 0.0031746 k( 162) = ( 0.3328422 0.5428776 -0.0000000), wk = 0.0031746 k( 163) = ( 0.3416013 0.5571638 -0.0000000), wk = 0.0031746 k( 164) = ( 0.3503602 0.5714501 -0.0000000), wk = 0.0031746 k( 165) = ( 0.3591193 0.5857363 -0.0000000), wk = 0.0031746 k( 166) = ( 0.3678783 0.6000226 -0.0000000), wk = 0.0031746 k( 167) = ( 0.3766373 0.6143088 -0.0000000), wk = 0.0031746 k( 168) = ( 0.3853963 0.6285951 -0.0000000), wk = 0.0031746 k( 169) = ( 0.3941553 0.6428813 -0.0000000), wk = 0.0031746 k( 170) = ( 0.4029143 0.6571676 -0.0000000), wk = 0.0031746 k( 171) = ( 0.4116733 0.6714539 -0.0000000), wk = 0.0031746 k( 172) = ( 0.4204323 0.6857401 -0.0000000), wk = 0.0031746 k( 173) = ( 0.4291913 0.7000264 -0.0000000), wk = 0.0031746 k( 174) = ( 0.4379503 0.7143126 -0.0000000), wk = 0.0031746 k( 175) = ( 0.4379503 0.7143126 -0.0000000), wk = 0.0031746 k( 176) = ( 0.4333662 0.7068357 0.0143047), wk = 0.0031746 k( 177) = ( 0.4287820 0.6993588 0.0286095), wk = 0.0031746 k( 178) = ( 0.4241978 0.6918818 0.0429142), wk = 0.0031746 k( 179) = ( 0.4196137 0.6844049 0.0572189), wk = 0.0031746 k( 180) = ( 0.4150296 0.6769280 0.0715237), wk = 0.0031746 k( 181) = ( 0.4104454 0.6694511 0.0858284), wk = 0.0031746 k( 182) = ( 0.4058612 0.6619742 0.1001331), wk = 0.0031746 k( 183) = ( 0.4012771 0.6544973 0.1144378), wk = 0.0031746 k( 184) = ( 0.3966929 0.6470203 0.1287426), wk = 0.0031746 k( 185) = ( 0.3921088 0.6395434 0.1430473), wk = 0.0031746 k( 186) = ( 0.3875246 0.6320665 0.1573520), wk = 0.0031746 k( 187) = ( 0.3829405 0.6245896 0.1716568), wk = 0.0031746 k( 188) = ( 0.3783563 0.6171127 0.1859615), wk = 0.0031746 k( 189) = ( 0.3737722 0.6096357 0.2002662), wk = 0.0031746 k( 190) = ( 0.3691880 0.6021588 0.2145709), wk = 0.0031746 k( 191) = ( 0.3646039 0.5946819 0.2288757), wk = 0.0031746 k( 192) = ( 0.3600197 0.5872050 0.2431804), wk = 0.0031746 k( 193) = ( 0.3554355 0.5797281 0.2574851), wk = 0.0031746 k( 194) = ( 0.3508514 0.5722512 0.2717899), wk = 0.0031746 k( 195) = ( 0.3462672 0.5647742 0.2860946), wk = 0.0031746 k( 196) = ( 0.3416831 0.5572973 0.3003993), wk = 0.0031746 k( 197) = ( 0.3370989 0.5498204 0.3147041), wk = 0.0031746 k( 198) = ( 0.3325148 0.5423435 0.3290088), wk = 0.0031746 k( 199) = ( 0.3279306 0.5348666 0.3433135), wk = 0.0031746 k( 200) = ( 0.3233465 0.5273896 0.3576183), wk = 0.0031746 k( 201) = ( 0.3187623 0.5199127 0.3719230), wk = 0.0031746 k( 202) = ( 0.3141782 0.5124358 0.3862277), wk = 0.0031746 k( 203) = ( 0.3095940 0.5049589 0.4005325), wk = 0.0031746 k( 204) = ( 0.3050099 0.4974820 0.4148372), wk = 0.0031746 k( 205) = ( 0.3004257 0.4900050 0.4291419), wk = 0.0031746 k( 206) = ( 0.2958415 0.4825281 0.4434466), wk = 0.0031746 k( 207) = ( 0.2912574 0.4750512 0.4577514), wk = 0.0031746 k( 208) = ( 0.2866732 0.4675743 0.4720561), wk = 0.0031746 k( 209) = ( 0.2820891 0.4600974 0.4863608), wk = 0.0031746 k( 210) = ( 0.2775049 0.4526204 0.5006656), wk = 0.0031746 k( 211) = ( 0.2729208 0.4451435 0.5149703), wk = 0.0031746 k( 212) = ( 0.2683366 0.4376666 0.5292750), wk = 0.0031746 k( 213) = ( 0.2637525 0.4301897 0.5435798), wk = 0.0031746 k( 214) = ( 0.2591683 0.4227128 0.5578845), wk = 0.0031746 k( 215) = ( 0.2545842 0.4152358 0.5721892), wk = 0.0031746 k( 216) = ( 0.2500000 0.4077589 0.5864940), wk = 0.0031746 k( 217) = ( 0.2500000 0.4077589 0.5864940), wk = 0.0031746 k( 218) = ( 0.2400000 0.4138900 0.5747641), wk = 0.0031746 k( 219) = ( 0.2300000 0.4200211 0.5630342), wk = 0.0031746 k( 220) = ( 0.2200000 0.4261522 0.5513043), wk = 0.0031746 k( 221) = ( 0.2100000 0.4322832 0.5395744), wk = 0.0031746 k( 222) = ( 0.2000000 0.4384143 0.5278446), wk = 0.0031746 k( 223) = ( 0.1900000 0.4445454 0.5161147), wk = 0.0031746 k( 224) = ( 0.1800000 0.4506764 0.5043848), wk = 0.0031746 k( 225) = ( 0.1700000 0.4568075 0.4926549), wk = 0.0031746 k( 226) = ( 0.1600000 0.4629386 0.4809250), wk = 0.0031746 k( 227) = ( 0.1500000 0.4690697 0.4691952), wk = 0.0031746 k( 228) = ( 0.1400000 0.4752007 0.4574653), wk = 0.0031746 k( 229) = ( 0.1300000 0.4813318 0.4457354), wk = 0.0031746 k( 230) = ( 0.1200000 0.4874629 0.4340055), wk = 0.0031746 k( 231) = ( 0.1100000 0.4935940 0.4222756), wk = 0.0031746 k( 232) = ( 0.1000000 0.4997250 0.4105458), wk = 0.0031746 k( 233) = ( 0.0900000 0.5058561 0.3988159), wk = 0.0031746 k( 234) = ( 0.0800000 0.5119872 0.3870860), wk = 0.0031746 k( 235) = ( 0.0700000 0.5181183 0.3753561), wk = 0.0031746 k( 236) = ( 0.0600000 0.5242493 0.3636263), wk = 0.0031746 k( 237) = ( 0.0500000 0.5303804 0.3518964), wk = 0.0031746 k( 238) = ( 0.0400000 0.5365115 0.3401665), wk = 0.0031746 k( 239) = ( 0.0300000 0.5426425 0.3284366), wk = 0.0031746 k( 240) = ( 0.0200000 0.5487736 0.3167067), wk = 0.0031746 k( 241) = ( 0.0100000 0.5549047 0.3049769), wk = 0.0031746 k( 242) = ( 0.0000000 0.5610358 0.2932470), wk = 0.0031746 k( 243) = ( 0.0000000 0.5610358 0.2932470), wk = 0.0031746 k( 244) = ( -0.0132712 0.5563910 0.3021332), wk = 0.0031746 k( 245) = ( -0.0265424 0.5517463 0.3110195), wk = 0.0031746 k( 246) = ( -0.0398137 0.5471015 0.3199058), wk = 0.0031746 k( 247) = ( -0.0530849 0.5424568 0.3287921), wk = 0.0031746 k( 248) = ( -0.0663561 0.5378120 0.3376783), wk = 0.0031746 k( 249) = ( -0.0796273 0.5331673 0.3465646), wk = 0.0031746 k( 250) = ( -0.0928985 0.5285225 0.3554509), wk = 0.0031746 k( 251) = ( -0.1061698 0.5238778 0.3643372), wk = 0.0031746 k( 252) = ( -0.1194410 0.5192330 0.3732234), wk = 0.0031746 k( 253) = ( -0.1327122 0.5145882 0.3821097), wk = 0.0031746 k( 254) = ( -0.1459834 0.5099435 0.3909960), wk = 0.0031746 k( 255) = ( -0.1592547 0.5052987 0.3998822), wk = 0.0031746 k( 256) = ( -0.1725259 0.5006540 0.4087685), wk = 0.0031746 k( 257) = ( -0.1857971 0.4960092 0.4176548), wk = 0.0031746 k( 258) = ( -0.1990683 0.4913645 0.4265411), wk = 0.0031746 k( 259) = ( -0.2123395 0.4867197 0.4354273), wk = 0.0031746 k( 260) = ( -0.2256108 0.4820750 0.4443136), wk = 0.0031746 k( 261) = ( -0.2388820 0.4774302 0.4531999), wk = 0.0031746 k( 262) = ( -0.2521532 0.4727855 0.4620861), wk = 0.0031746 k( 263) = ( -0.2654244 0.4681407 0.4709724), wk = 0.0031746 k( 264) = ( -0.2786957 0.4634960 0.4798587), wk = 0.0031746 k( 265) = ( -0.2919669 0.4588512 0.4887450), wk = 0.0031746 k( 266) = ( -0.3052381 0.4542065 0.4976312), wk = 0.0031746 k( 267) = ( -0.3185093 0.4495617 0.5065175), wk = 0.0031746 k( 268) = ( -0.3317805 0.4449170 0.5154038), wk = 0.0031746 k( 269) = ( -0.3450518 0.4402722 0.5242900), wk = 0.0031746 k( 270) = ( -0.3583230 0.4356274 0.5331763), wk = 0.0031746 k( 271) = ( -0.3715942 0.4309827 0.5420626), wk = 0.0031746 k( 272) = ( -0.3848654 0.4263379 0.5509489), wk = 0.0031746 k( 273) = ( -0.3981366 0.4216932 0.5598351), wk = 0.0031746 k( 274) = ( -0.4114079 0.4170484 0.5687214), wk = 0.0031746 k( 275) = ( -0.4246791 0.4124037 0.5776077), wk = 0.0031746 k( 276) = ( -0.4379503 0.4077589 0.5864940), wk = 0.0031746 k( 277) = ( -0.4379503 0.4077589 0.5864940), wk = 0.0031746 k( 278) = ( -0.4457065 0.3951083 0.5864940), wk = 0.0031746 k( 279) = ( -0.4534627 0.3824576 0.5864940), wk = 0.0031746 k( 280) = ( -0.4612190 0.3698070 0.5864940), wk = 0.0031746 k( 281) = ( -0.4689752 0.3571563 0.5864940), wk = 0.0031746 k( 282) = ( -0.4767314 0.3445056 0.5864940), wk = 0.0031746 k( 283) = ( -0.4844876 0.3318550 0.5864940), wk = 0.0031746 k( 284) = ( -0.4922438 0.3192043 0.5864940), wk = 0.0031746 k( 285) = ( -0.5000000 0.3065537 0.5864940), wk = 0.0031746 k( 286) = ( 0.0000000 0.0000000 0.5864940), wk = 0.0031746 k( 287) = ( 0.0086207 0.0140607 0.5864940), wk = 0.0031746 k( 288) = ( 0.0172414 0.0281213 0.5864940), wk = 0.0031746 k( 289) = ( 0.0258621 0.0421820 0.5864940), wk = 0.0031746 k( 290) = ( 0.0344828 0.0562426 0.5864940), wk = 0.0031746 k( 291) = ( 0.0431035 0.0703033 0.5864940), wk = 0.0031746 k( 292) = ( 0.0517241 0.0843639 0.5864940), wk = 0.0031746 k( 293) = ( 0.0603448 0.0984246 0.5864940), wk = 0.0031746 k( 294) = ( 0.0689655 0.1124852 0.5864940), wk = 0.0031746 k( 295) = ( 0.0775862 0.1265459 0.5864940), wk = 0.0031746 k( 296) = ( 0.0862069 0.1406065 0.5864940), wk = 0.0031746 k( 297) = ( 0.0948276 0.1546672 0.5864940), wk = 0.0031746 k( 298) = ( 0.1034483 0.1687278 0.5864940), wk = 0.0031746 k( 299) = ( 0.1120690 0.1827885 0.5864940), wk = 0.0031746 k( 300) = ( 0.1206897 0.1968491 0.5864940), wk = 0.0031746 k( 301) = ( 0.1293103 0.2109098 0.5864940), wk = 0.0031746 k( 302) = ( 0.1379310 0.2249704 0.5864940), wk = 0.0031746 k( 303) = ( 0.1465517 0.2390311 0.5864940), wk = 0.0031746 k( 304) = ( 0.1551724 0.2530917 0.5864940), wk = 0.0031746 k( 305) = ( 0.1637931 0.2671524 0.5864940), wk = 0.0031746 k( 306) = ( 0.1724138 0.2812131 0.5864940), wk = 0.0031746 k( 307) = ( 0.1810345 0.2952737 0.5864940), wk = 0.0031746 k( 308) = ( 0.1896552 0.3093344 0.5864940), wk = 0.0031746 k( 309) = ( 0.1982759 0.3233950 0.5864940), wk = 0.0031746 k( 310) = ( 0.2068966 0.3374557 0.5864940), wk = 0.0031746 k( 311) = ( 0.2155172 0.3515163 0.5864940), wk = 0.0031746 k( 312) = ( 0.2241379 0.3655770 0.5864940), wk = 0.0031746 k( 313) = ( 0.2327586 0.3796376 0.5864940), wk = 0.0031746 k( 314) = ( 0.2413793 0.3936983 0.5864940), wk = 0.0031746 k( 315) = ( 0.2500000 0.4077589 0.5864940), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0031746 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0031746 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0031746 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0031746 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031746 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0031746 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0031746 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0031746 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031746 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0031746 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0031746 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0031746 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031746 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0031746 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0031746 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0031746 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0031746 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031746 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0031746 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0031746 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0031746 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031746 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0031746 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0031746 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0031746 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031746 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0031746 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0031746 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0031746 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0031746 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 38) = ( -0.0142857 0.0142857 0.5000000), wk = 0.0031746 k( 39) = ( -0.0285714 0.0285714 0.5000000), wk = 0.0031746 k( 40) = ( -0.0428571 0.0428571 0.5000000), wk = 0.0031746 k( 41) = ( -0.0571429 0.0571429 0.5000000), wk = 0.0031746 k( 42) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0031746 k( 43) = ( -0.0857143 0.0857143 0.5000000), wk = 0.0031746 k( 44) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0031746 k( 45) = ( -0.1142857 0.1142857 0.5000000), wk = 0.0031746 k( 46) = ( -0.1285714 0.1285714 0.5000000), wk = 0.0031746 k( 47) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0031746 k( 48) = ( -0.1571429 0.1571429 0.5000000), wk = 0.0031746 k( 49) = ( -0.1714286 0.1714286 0.5000000), wk = 0.0031746 k( 50) = ( -0.1857143 0.1857143 0.5000000), wk = 0.0031746 k( 51) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0031746 k( 52) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0031746 k( 53) = ( -0.2285714 0.2285714 0.5000000), wk = 0.0031746 k( 54) = ( -0.2428571 0.2428571 0.5000000), wk = 0.0031746 k( 55) = ( -0.2571429 0.2571429 0.5000000), wk = 0.0031746 k( 56) = ( -0.2714286 0.2714286 0.5000000), wk = 0.0031746 k( 57) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0031746 k( 58) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0031746 k( 59) = ( -0.3142857 0.3142857 0.5000000), wk = 0.0031746 k( 60) = ( -0.3285714 0.3285714 0.5000000), wk = 0.0031746 k( 61) = ( -0.3428571 0.3428571 0.5000000), wk = 0.0031746 k( 62) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0031746 k( 63) = ( -0.3714286 0.3714286 0.5000000), wk = 0.0031746 k( 64) = ( -0.3857143 0.3857143 0.5000000), wk = 0.0031746 k( 65) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0031746 k( 66) = ( -0.4142857 0.4142857 0.5000000), wk = 0.0031746 k( 67) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0031746 k( 68) = ( -0.4428571 0.4428571 0.5000000), wk = 0.0031746 k( 69) = ( -0.4571429 0.4571429 0.5000000), wk = 0.0031746 k( 70) = ( -0.4714286 0.4714286 0.5000000), wk = 0.0031746 k( 71) = ( -0.4857143 0.4857143 0.5000000), wk = 0.0031746 k( 72) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 73) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 74) = ( -0.4900000 0.4900000 0.4900000), wk = 0.0031746 k( 75) = ( -0.4800000 0.4800000 0.4800000), wk = 0.0031746 k( 76) = ( -0.4700000 0.4700000 0.4700000), wk = 0.0031746 k( 77) = ( -0.4600000 0.4600000 0.4600000), wk = 0.0031746 k( 78) = ( -0.4500000 0.4500000 0.4500000), wk = 0.0031746 k( 79) = ( -0.4400000 0.4400000 0.4400000), wk = 0.0031746 k( 80) = ( -0.4300000 0.4300000 0.4300000), wk = 0.0031746 k( 81) = ( -0.4200000 0.4200000 0.4200000), wk = 0.0031746 k( 82) = ( -0.4100000 0.4100000 0.4100000), wk = 0.0031746 k( 83) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0031746 k( 84) = ( -0.3900000 0.3900000 0.3900000), wk = 0.0031746 k( 85) = ( -0.3800000 0.3800000 0.3800000), wk = 0.0031746 k( 86) = ( -0.3700000 0.3700000 0.3700000), wk = 0.0031746 k( 87) = ( -0.3600000 0.3600000 0.3600000), wk = 0.0031746 k( 88) = ( -0.3500000 0.3500000 0.3500000), wk = 0.0031746 k( 89) = ( -0.3400000 0.3400000 0.3400000), wk = 0.0031746 k( 90) = ( -0.3300000 0.3300000 0.3300000), wk = 0.0031746 k( 91) = ( -0.3200000 0.3200000 0.3200000), wk = 0.0031746 k( 92) = ( -0.3100000 0.3100000 0.3100000), wk = 0.0031746 k( 93) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0031746 k( 94) = ( -0.2900000 0.2900000 0.2900000), wk = 0.0031746 k( 95) = ( -0.2800000 0.2800000 0.2800000), wk = 0.0031746 k( 96) = ( -0.2700000 0.2700000 0.2700000), wk = 0.0031746 k( 97) = ( -0.2600000 0.2600000 0.2600000), wk = 0.0031746 k( 98) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 99) = ( -0.2400000 0.2400000 0.2400000), wk = 0.0031746 k( 100) = ( -0.2300000 0.2300000 0.2300000), wk = 0.0031746 k( 101) = ( -0.2200000 0.2200000 0.2200000), wk = 0.0031746 k( 102) = ( -0.2100000 0.2100000 0.2100000), wk = 0.0031746 k( 103) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0031746 k( 104) = ( -0.1900000 0.1900000 0.1900000), wk = 0.0031746 k( 105) = ( -0.1800000 0.1800000 0.1800000), wk = 0.0031746 k( 106) = ( -0.1700000 0.1700000 0.1700000), wk = 0.0031746 k( 107) = ( -0.1600000 0.1600000 0.1600000), wk = 0.0031746 k( 108) = ( -0.1500000 0.1500000 0.1500000), wk = 0.0031746 k( 109) = ( -0.1400000 0.1400000 0.1400000), wk = 0.0031746 k( 110) = ( -0.1300000 0.1300000 0.1300000), wk = 0.0031746 k( 111) = ( -0.1200000 0.1200000 0.1200000), wk = 0.0031746 k( 112) = ( -0.1100000 0.1100000 0.1100000), wk = 0.0031746 k( 113) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0031746 k( 114) = ( -0.0900000 0.0900000 0.0900000), wk = 0.0031746 k( 115) = ( -0.0800000 0.0800000 0.0800000), wk = 0.0031746 k( 116) = ( -0.0700000 0.0700000 0.0700000), wk = 0.0031746 k( 117) = ( -0.0600000 0.0600000 0.0600000), wk = 0.0031746 k( 118) = ( -0.0500000 0.0500000 0.0500000), wk = 0.0031746 k( 119) = ( -0.0400000 0.0400000 0.0400000), wk = 0.0031746 k( 120) = ( -0.0300000 0.0300000 0.0300000), wk = 0.0031746 k( 121) = ( -0.0200000 0.0200000 0.0200000), wk = 0.0031746 k( 122) = ( -0.0100000 0.0100000 0.0100000), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 125) = ( 0.0087590 0.0087590 -0.0087590), wk = 0.0031746 k( 126) = ( 0.0175180 0.0175180 -0.0175180), wk = 0.0031746 k( 127) = ( 0.0262770 0.0262770 -0.0262770), wk = 0.0031746 k( 128) = ( 0.0350360 0.0350360 -0.0350360), wk = 0.0031746 k( 129) = ( 0.0437950 0.0437950 -0.0437950), wk = 0.0031746 k( 130) = ( 0.0525540 0.0525540 -0.0525540), wk = 0.0031746 k( 131) = ( 0.0613130 0.0613130 -0.0613130), wk = 0.0031746 k( 132) = ( 0.0700720 0.0700720 -0.0700720), wk = 0.0031746 k( 133) = ( 0.0788311 0.0788311 -0.0788311), wk = 0.0031746 k( 134) = ( 0.0875901 0.0875901 -0.0875901), wk = 0.0031746 k( 135) = ( 0.0963491 0.0963491 -0.0963491), wk = 0.0031746 k( 136) = ( 0.1051081 0.1051081 -0.1051081), wk = 0.0031746 k( 137) = ( 0.1138671 0.1138671 -0.1138671), wk = 0.0031746 k( 138) = ( 0.1226261 0.1226261 -0.1226261), wk = 0.0031746 k( 139) = ( 0.1313851 0.1313851 -0.1313851), wk = 0.0031746 k( 140) = ( 0.1401441 0.1401441 -0.1401441), wk = 0.0031746 k( 141) = ( 0.1489031 0.1489031 -0.1489031), wk = 0.0031746 k( 142) = ( 0.1576621 0.1576621 -0.1576621), wk = 0.0031746 k( 143) = ( 0.1664211 0.1664211 -0.1664211), wk = 0.0031746 k( 144) = ( 0.1751801 0.1751801 -0.1751801), wk = 0.0031746 k( 145) = ( 0.1839391 0.1839391 -0.1839391), wk = 0.0031746 k( 146) = ( 0.1926981 0.1926981 -0.1926981), wk = 0.0031746 k( 147) = ( 0.2014572 0.2014571 -0.2014571), wk = 0.0031746 k( 148) = ( 0.2102161 0.2102161 -0.2102161), wk = 0.0031746 k( 149) = ( 0.2189752 0.2189752 -0.2189752), wk = 0.0031746 k( 150) = ( 0.2277342 0.2277342 -0.2277342), wk = 0.0031746 k( 151) = ( 0.2364932 0.2364932 -0.2364932), wk = 0.0031746 k( 152) = ( 0.2452522 0.2452522 -0.2452522), wk = 0.0031746 k( 153) = ( 0.2540112 0.2540112 -0.2540112), wk = 0.0031746 k( 154) = ( 0.2627702 0.2627702 -0.2627702), wk = 0.0031746 k( 155) = ( 0.2715292 0.2715292 -0.2715292), wk = 0.0031746 k( 156) = ( 0.2802882 0.2802882 -0.2802882), wk = 0.0031746 k( 157) = ( 0.2890472 0.2890472 -0.2890472), wk = 0.0031746 k( 158) = ( 0.2978062 0.2978062 -0.2978062), wk = 0.0031746 k( 159) = ( 0.3065652 0.3065652 -0.3065652), wk = 0.0031746 k( 160) = ( 0.3153242 0.3153242 -0.3153242), wk = 0.0031746 k( 161) = ( 0.3240832 0.3240832 -0.3240832), wk = 0.0031746 k( 162) = ( 0.3328422 0.3328422 -0.3328422), wk = 0.0031746 k( 163) = ( 0.3416013 0.3416012 -0.3416012), wk = 0.0031746 k( 164) = ( 0.3503602 0.3503603 -0.3503602), wk = 0.0031746 k( 165) = ( 0.3591193 0.3591193 -0.3591193), wk = 0.0031746 k( 166) = ( 0.3678783 0.3678783 -0.3678783), wk = 0.0031746 k( 167) = ( 0.3766373 0.3766373 -0.3766373), wk = 0.0031746 k( 168) = ( 0.3853963 0.3853963 -0.3853963), wk = 0.0031746 k( 169) = ( 0.3941553 0.3941553 -0.3941553), wk = 0.0031746 k( 170) = ( 0.4029143 0.4029143 -0.4029143), wk = 0.0031746 k( 171) = ( 0.4116733 0.4116733 -0.4116733), wk = 0.0031746 k( 172) = ( 0.4204323 0.4204323 -0.4204323), wk = 0.0031746 k( 173) = ( 0.4291913 0.4291913 -0.4291913), wk = 0.0031746 k( 174) = ( 0.4379503 0.4379503 -0.4379503), wk = 0.0031746 k( 175) = ( 0.4379503 0.4379503 -0.4379503), wk = 0.0031746 k( 176) = ( 0.4333662 0.4333662 -0.4211710), wk = 0.0031746 k( 177) = ( 0.4287820 0.4287820 -0.4043918), wk = 0.0031746 k( 178) = ( 0.4241978 0.4241978 -0.3876125), wk = 0.0031746 k( 179) = ( 0.4196137 0.4196137 -0.3708332), wk = 0.0031746 k( 180) = ( 0.4150296 0.4150295 -0.3540539), wk = 0.0031746 k( 181) = ( 0.4104454 0.4104454 -0.3372747), wk = 0.0031746 k( 182) = ( 0.4058612 0.4058612 -0.3204954), wk = 0.0031746 k( 183) = ( 0.4012771 0.4012771 -0.3037161), wk = 0.0031746 k( 184) = ( 0.3966929 0.3966929 -0.2869368), wk = 0.0031746 k( 185) = ( 0.3921088 0.3921088 -0.2701576), wk = 0.0031746 k( 186) = ( 0.3875246 0.3875246 -0.2533783), wk = 0.0031746 k( 187) = ( 0.3829405 0.3829405 -0.2365990), wk = 0.0031746 k( 188) = ( 0.3783563 0.3783563 -0.2198197), wk = 0.0031746 k( 189) = ( 0.3737722 0.3737722 -0.2030404), wk = 0.0031746 k( 190) = ( 0.3691880 0.3691880 -0.1862612), wk = 0.0031746 k( 191) = ( 0.3646039 0.3646039 -0.1694819), wk = 0.0031746 k( 192) = ( 0.3600197 0.3600197 -0.1527026), wk = 0.0031746 k( 193) = ( 0.3554355 0.3554355 -0.1359233), wk = 0.0031746 k( 194) = ( 0.3508514 0.3508514 -0.1191441), wk = 0.0031746 k( 195) = ( 0.3462672 0.3462672 -0.1023648), wk = 0.0031746 k( 196) = ( 0.3416831 0.3416831 -0.0855855), wk = 0.0031746 k( 197) = ( 0.3370989 0.3370989 -0.0688062), wk = 0.0031746 k( 198) = ( 0.3325148 0.3325148 -0.0520270), wk = 0.0031746 k( 199) = ( 0.3279306 0.3279306 -0.0352477), wk = 0.0031746 k( 200) = ( 0.3233465 0.3233465 -0.0184684), wk = 0.0031746 k( 201) = ( 0.3187623 0.3187623 -0.0016891), wk = 0.0031746 k( 202) = ( 0.3141782 0.3141782 0.0150901), wk = 0.0031746 k( 203) = ( 0.3095940 0.3095940 0.0318694), wk = 0.0031746 k( 204) = ( 0.3050099 0.3050099 0.0486487), wk = 0.0031746 k( 205) = ( 0.3004257 0.3004257 0.0654280), wk = 0.0031746 k( 206) = ( 0.2958415 0.2958415 0.0822072), wk = 0.0031746 k( 207) = ( 0.2912574 0.2912574 0.0989865), wk = 0.0031746 k( 208) = ( 0.2866732 0.2866732 0.1157658), wk = 0.0031746 k( 209) = ( 0.2820891 0.2820891 0.1325451), wk = 0.0031746 k( 210) = ( 0.2775049 0.2775049 0.1493243), wk = 0.0031746 k( 211) = ( 0.2729208 0.2729208 0.1661036), wk = 0.0031746 k( 212) = ( 0.2683366 0.2683366 0.1828829), wk = 0.0031746 k( 213) = ( 0.2637525 0.2637525 0.1996622), wk = 0.0031746 k( 214) = ( 0.2591683 0.2591683 0.2164415), wk = 0.0031746 k( 215) = ( 0.2545842 0.2545842 0.2332207), wk = 0.0031746 k( 216) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 218) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0031746 k( 219) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0031746 k( 220) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0031746 k( 221) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0031746 k( 222) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0031746 k( 223) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0031746 k( 224) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0031746 k( 225) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0031746 k( 226) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0031746 k( 227) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0031746 k( 228) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0031746 k( 229) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0031746 k( 230) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0031746 k( 231) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0031746 k( 232) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0031746 k( 233) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0031746 k( 234) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0031746 k( 235) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0031746 k( 236) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0031746 k( 237) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0031746 k( 238) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0031746 k( 239) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0031746 k( 240) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0031746 k( 241) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0031746 k( 242) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 243) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031746 k( 244) = ( -0.0132712 0.5018803 0.0132712), wk = 0.0031746 k( 245) = ( -0.0265424 0.5037606 0.0265424), wk = 0.0031746 k( 246) = ( -0.0398137 0.5056409 0.0398137), wk = 0.0031746 k( 247) = ( -0.0530849 0.5075212 0.0530849), wk = 0.0031746 k( 248) = ( -0.0663561 0.5094015 0.0663561), wk = 0.0031746 k( 249) = ( -0.0796273 0.5112818 0.0796273), wk = 0.0031746 k( 250) = ( -0.0928985 0.5131620 0.0928986), wk = 0.0031746 k( 251) = ( -0.1061698 0.5150423 0.1061698), wk = 0.0031746 k( 252) = ( -0.1194410 0.5169226 0.1194410), wk = 0.0031746 k( 253) = ( -0.1327122 0.5188029 0.1327122), wk = 0.0031746 k( 254) = ( -0.1459834 0.5206832 0.1459834), wk = 0.0031746 k( 255) = ( -0.1592547 0.5225635 0.1592547), wk = 0.0031746 k( 256) = ( -0.1725259 0.5244438 0.1725259), wk = 0.0031746 k( 257) = ( -0.1857971 0.5263241 0.1857971), wk = 0.0031746 k( 258) = ( -0.1990683 0.5282044 0.1990683), wk = 0.0031746 k( 259) = ( -0.2123395 0.5300847 0.2123395), wk = 0.0031746 k( 260) = ( -0.2256108 0.5319650 0.2256108), wk = 0.0031746 k( 261) = ( -0.2388820 0.5338453 0.2388820), wk = 0.0031746 k( 262) = ( -0.2521532 0.5357256 0.2521532), wk = 0.0031746 k( 263) = ( -0.2654244 0.5376059 0.2654244), wk = 0.0031746 k( 264) = ( -0.2786957 0.5394862 0.2786957), wk = 0.0031746 k( 265) = ( -0.2919669 0.5413665 0.2919669), wk = 0.0031746 k( 266) = ( -0.3052381 0.5432467 0.3052381), wk = 0.0031746 k( 267) = ( -0.3185093 0.5451270 0.3185093), wk = 0.0031746 k( 268) = ( -0.3317805 0.5470073 0.3317805), wk = 0.0031746 k( 269) = ( -0.3450518 0.5488876 0.3450518), wk = 0.0031746 k( 270) = ( -0.3583230 0.5507679 0.3583230), wk = 0.0031746 k( 271) = ( -0.3715942 0.5526482 0.3715942), wk = 0.0031746 k( 272) = ( -0.3848654 0.5545285 0.3848654), wk = 0.0031746 k( 273) = ( -0.3981366 0.5564088 0.3981366), wk = 0.0031746 k( 274) = ( -0.4114079 0.5582891 0.4114079), wk = 0.0031746 k( 275) = ( -0.4246791 0.5601694 0.4246791), wk = 0.0031746 k( 276) = ( -0.4379503 0.5620497 0.4379503), wk = 0.0031746 k( 277) = ( -0.4379503 0.5620497 0.4379503), wk = 0.0031746 k( 278) = ( -0.4457065 0.5542935 0.4457065), wk = 0.0031746 k( 279) = ( -0.4534627 0.5465373 0.4534627), wk = 0.0031746 k( 280) = ( -0.4612190 0.5387810 0.4612190), wk = 0.0031746 k( 281) = ( -0.4689752 0.5310248 0.4689752), wk = 0.0031746 k( 282) = ( -0.4767314 0.5232686 0.4767314), wk = 0.0031746 k( 283) = ( -0.4844876 0.5155124 0.4844876), wk = 0.0031746 k( 284) = ( -0.4922438 0.5077562 0.4922438), wk = 0.0031746 k( 285) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 287) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0031746 k( 288) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0031746 k( 289) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0031746 k( 290) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0031746 k( 291) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0031746 k( 292) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0031746 k( 293) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0031746 k( 294) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0031746 k( 295) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0031746 k( 296) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0031746 k( 297) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0031746 k( 298) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0031746 k( 299) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0031746 k( 300) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0031746 k( 301) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0031746 k( 302) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0031746 k( 303) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0031746 k( 304) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0031746 k( 305) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0031746 k( 306) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0031746 k( 307) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0031746 k( 308) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0031746 k( 309) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0031746 k( 310) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0031746 k( 311) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0031746 k( 312) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0031746 k( 313) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0031746 k( 314) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0031746 k( 315) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 Dense grid: 72905 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 532, 60) NL pseudopotentials 0.54 Mb ( 266, 132) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2027) G-vector shells 0.01 Mb ( 931) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.95 Mb ( 532, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.24 Mb ( 132, 2, 60) The potential is recalculated from file : ./Zr2Co.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 13.1 secs Computing kpt #: 10 total cpu time spent up to now is 14.5 secs Computing kpt #: 11 total cpu time spent up to now is 15.9 secs Computing kpt #: 12 total cpu time spent up to now is 17.4 secs Computing kpt #: 13 total cpu time spent up to now is 18.7 secs Computing kpt #: 14 total cpu time spent up to now is 20.1 secs Computing kpt #: 15 total cpu time spent up to now is 21.4 secs Computing kpt #: 16 total cpu time spent up to now is 22.8 secs Computing kpt #: 17 total cpu time spent up to now is 24.3 secs Computing kpt #: 18 total cpu time spent up to now is 25.6 secs Computing kpt #: 19 total cpu time spent up to now is 26.9 secs Computing kpt #: 20 total cpu time spent up to now is 28.2 secs Computing kpt #: 21 total cpu time spent up to now is 29.5 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 32.0 secs Computing kpt #: 24 total cpu time spent up to now is 33.3 secs Computing kpt #: 25 total cpu time spent up to now is 34.4 secs Computing kpt #: 26 total cpu time spent up to now is 35.6 secs Computing kpt #: 27 total cpu time spent up to now is 36.7 secs Computing kpt #: 28 total cpu time spent up to now is 37.8 secs Computing kpt #: 29 total cpu time spent up to now is 38.9 secs Computing kpt #: 30 total cpu time spent up to now is 40.0 secs Computing kpt #: 31 total cpu time spent up to now is 41.1 secs Computing kpt #: 32 total cpu time spent up to now is 42.2 secs Computing kpt #: 33 total cpu time spent up to now is 43.2 secs Computing kpt #: 34 total cpu time spent up to now is 44.3 secs Computing kpt #: 35 total cpu time spent up to now is 45.4 secs Computing kpt #: 36 total cpu time spent up to now is 46.4 secs Computing kpt #: 37 total cpu time spent up to now is 47.5 secs Computing kpt #: 38 total cpu time spent up to now is 48.6 secs Computing kpt #: 39 total cpu time spent up to now is 49.6 secs Computing kpt #: 40 total cpu time spent up to now is 50.7 secs Computing kpt #: 41 total cpu time spent up to now is 51.7 secs Computing kpt #: 42 total cpu time spent up to now is 52.8 secs Computing kpt #: 43 total cpu time spent up to now is 53.7 secs Computing kpt #: 44 total cpu time spent up to now is 54.7 secs Computing kpt #: 45 total cpu time spent up to now is 55.7 secs Computing kpt #: 46 total cpu time spent up to now is 56.7 secs Computing kpt #: 47 total cpu time spent up to now is 57.7 secs Computing kpt #: 48 total cpu time spent up to now is 58.7 secs Computing kpt #: 49 total cpu time spent up to now is 59.9 secs Computing kpt #: 50 total cpu time spent up to now is 61.0 secs Computing kpt #: 51 total cpu time spent up to now is 62.1 secs Computing kpt #: 52 total cpu time spent up to now is 63.3 secs Computing kpt #: 53 total cpu time spent up to now is 64.4 secs Computing kpt #: 54 total cpu time spent up to now is 65.6 secs Computing kpt #: 55 total cpu time spent up to now is 66.8 secs Computing kpt #: 56 total cpu time spent up to now is 67.9 secs Computing kpt #: 57 total cpu time spent up to now is 69.1 secs Computing kpt #: 58 total cpu time spent up to now is 70.5 secs Computing kpt #: 59 total cpu time spent up to now is 71.7 secs Computing kpt #: 60 total cpu time spent up to now is 73.0 secs Computing kpt #: 61 total cpu time spent up to now is 74.2 secs Computing kpt #: 62 total cpu time spent up to now is 75.4 secs Computing kpt #: 63 total cpu time spent up to now is 76.7 secs Computing kpt #: 64 total cpu time spent up to now is 78.1 secs Computing kpt #: 65 total cpu time spent up to now is 79.7 secs Computing kpt #: 66 total cpu time spent up to now is 81.2 secs Computing kpt #: 67 total cpu time spent up to now is 82.9 secs Computing kpt #: 68 total cpu time spent up to now is 84.8 secs Computing kpt #: 69 total cpu time spent up to now is 86.9 secs Computing kpt #: 70 total cpu time spent up to now is 88.8 secs Computing kpt #: 71 total cpu time spent up to now is 91.2 secs Computing kpt #: 72 total cpu time spent up to now is 93.1 secs Computing kpt #: 73 total cpu time spent up to now is 95.1 secs Computing kpt #: 74 total cpu time spent up to now is 97.3 secs Computing kpt #: 75 total cpu time spent up to now is 99.4 secs Computing kpt #: 76 total cpu time spent up to now is 101.4 secs Computing kpt #: 77 total cpu time spent up to now is 103.5 secs Computing kpt #: 78 total cpu time spent up to now is 105.4 secs Computing kpt #: 79 total cpu time spent up to now is 107.4 secs Computing kpt #: 80 total cpu time spent up to now is 109.2 secs Computing kpt #: 81 total cpu time spent up to now is 110.8 secs Computing kpt #: 82 total cpu time spent up to now is 112.2 secs Computing kpt #: 83 total cpu time spent up to now is 113.5 secs Computing kpt #: 84 total cpu time spent up to now is 114.7 secs Computing kpt #: 85 total cpu time spent up to now is 115.9 secs Computing kpt #: 86 total cpu time spent up to now is 117.1 secs Computing kpt #: 87 total cpu time spent up to now is 118.3 secs Computing kpt #: 88 total cpu time spent up to now is 119.5 secs Computing kpt #: 89 total cpu time spent up to now is 120.7 secs Computing kpt #: 90 total cpu time spent up to now is 121.8 secs Computing kpt #: 91 total cpu time spent up to now is 123.0 secs Computing kpt #: 92 total cpu time spent up to now is 124.1 secs Computing kpt #: 93 total cpu time spent up to now is 125.3 secs Computing kpt #: 94 total cpu time spent up to now is 126.4 secs Computing kpt #: 95 total cpu time spent up to now is 127.6 secs Computing kpt #: 96 total cpu time spent up to now is 128.7 secs Computing kpt #: 97 total cpu time spent up to now is 129.9 secs Computing kpt #: 98 total cpu time spent up to now is 131.0 secs Computing kpt #: 99 total cpu time spent up to now is 132.2 secs Computing kpt #: 100 total cpu time spent up to now is 133.3 secs Computing kpt #: 101 total cpu time spent up to now is 134.5 secs Computing kpt #: 102 total cpu time spent up to now is 135.7 secs Computing kpt #: 103 total cpu time spent up to now is 136.9 secs Computing kpt #: 104 total cpu time spent up to now is 138.2 secs Computing kpt #: 105 total cpu time spent up to now is 139.4 secs Computing kpt #: 106 total cpu time spent up to now is 140.7 secs Computing kpt #: 107 total cpu time spent up to now is 141.9 secs Computing kpt #: 108 total cpu time spent up to now is 143.1 secs Computing kpt #: 109 total cpu time spent up to now is 144.3 secs Computing kpt #: 110 total cpu time spent up to now is 145.6 secs Computing kpt #: 111 total cpu time spent up to now is 146.8 secs Computing kpt #: 112 total cpu time spent up to now is 148.2 secs Computing kpt #: 113 total cpu time spent up to now is 149.5 secs Computing kpt #: 114 total cpu time spent up to now is 150.9 secs Computing kpt #: 115 total cpu time spent up to now is 152.2 secs Computing kpt #: 116 total cpu time spent up to now is 153.5 secs Computing kpt #: 117 total cpu time spent up to now is 154.9 secs Computing kpt #: 118 total cpu time spent up to now is 156.2 secs Computing kpt #: 119 total cpu time spent up to now is 157.5 secs Computing kpt #: 120 total cpu time spent up to now is 158.8 secs Computing kpt #: 121 total cpu time spent up to now is 160.1 secs Computing kpt #: 122 total cpu time spent up to now is 161.6 secs Computing kpt #: 123 total cpu time spent up to now is 163.2 secs Computing kpt #: 124 total cpu time spent up to now is 164.6 secs Computing kpt #: 125 total cpu time spent up to now is 165.8 secs Computing kpt #: 126 total cpu time spent up to now is 167.4 secs Computing kpt #: 127 total cpu time spent up to now is 169.1 secs Computing kpt #: 128 total cpu time spent up to now is 170.6 secs Computing kpt #: 129 total cpu time spent up to now is 172.4 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.0 secs Computing kpt #: 131 total cpu time spent up to now is 176.3 secs Computing kpt #: 132 total cpu time spent up to now is 177.5 secs Computing kpt #: 133 total cpu time spent up to now is 178.6 secs Computing kpt #: 134 total cpu time spent up to now is 179.8 secs Computing kpt #: 135 total cpu time spent up to now is 181.0 secs Computing kpt #: 136 total cpu time spent up to now is 182.2 secs Computing kpt #: 137 total cpu time spent up to now is 183.5 secs Computing kpt #: 138 total cpu time spent up to now is 184.7 secs Computing kpt #: 139 total cpu time spent up to now is 185.9 secs Computing kpt #: 140 total cpu time spent up to now is 187.2 secs Computing kpt #: 141 total cpu time spent up to now is 188.4 secs Computing kpt #: 142 total cpu time spent up to now is 189.7 secs Computing kpt #: 143 total cpu time spent up to now is 191.1 secs Computing kpt #: 144 total cpu time spent up to now is 192.6 secs Computing kpt #: 145 total cpu time spent up to now is 194.1 secs Computing kpt #: 146 total cpu time spent up to now is 195.7 secs Computing kpt #: 147 total cpu time spent up to now is 197.6 secs Computing kpt #: 148 total cpu time spent up to now is 199.4 secs Computing kpt #: 149 total cpu time spent up to now is 201.3 secs Computing kpt #: 150 total cpu time spent up to now is 202.7 secs Computing kpt #: 151 total cpu time spent up to now is 203.9 secs Computing kpt #: 152 total cpu time spent up to now is 205.0 secs Computing kpt #: 153 total cpu time spent up to now is 206.2 secs Computing kpt #: 154 total cpu time spent up to now is 207.4 secs Computing kpt #: 155 total cpu time spent up to now is 208.6 secs Computing kpt #: 156 total cpu time spent up to now is 209.8 secs Computing kpt #: 157 total cpu time spent up to now is 211.0 secs Computing kpt #: 158 total cpu time spent up to now is 212.1 secs Computing kpt #: 159 total cpu time spent up to now is 213.4 secs Computing kpt #: 160 total cpu time spent up to now is 214.6 secs Computing kpt #: 161 total cpu time spent up to now is 216.2 secs Computing kpt #: 162 total cpu time spent up to now is 217.7 secs Computing kpt #: 163 total cpu time spent up to now is 219.3 secs Computing kpt #: 164 total cpu time spent up to now is 220.9 secs Computing kpt #: 165 total cpu time spent up to now is 222.4 secs Computing kpt #: 166 total cpu time spent up to now is 224.0 secs Computing kpt #: 167 total cpu time spent up to now is 225.4 secs Computing kpt #: 168 total cpu time spent up to now is 226.8 secs Computing kpt #: 169 total cpu time spent up to now is 228.3 secs Computing kpt #: 170 total cpu time spent up to now is 229.7 secs Computing kpt #: 171 total cpu time spent up to now is 231.6 secs Computing kpt #: 172 total cpu time spent up to now is 233.1 secs Computing kpt #: 173 total cpu time spent up to now is 234.7 secs Computing kpt #: 174 total cpu time spent up to now is 236.4 secs Computing kpt #: 175 total cpu time spent up to now is 238.0 secs Computing kpt #: 176 total cpu time spent up to now is 239.6 secs Computing kpt #: 177 total cpu time spent up to now is 241.1 secs Computing kpt #: 178 total cpu time spent up to now is 242.6 secs Computing kpt #: 179 total cpu time spent up to now is 244.0 secs Computing kpt #: 180 total cpu time spent up to now is 245.5 secs Computing kpt #: 181 total cpu time spent up to now is 246.9 secs Computing kpt #: 182 total cpu time spent up to now is 248.2 secs Computing kpt #: 183 total cpu time spent up to now is 249.6 secs Computing kpt #: 184 total cpu time spent up to now is 250.9 secs Computing kpt #: 185 total cpu time spent up to now is 252.1 secs Computing kpt #: 186 total cpu time spent up to now is 253.4 secs Computing kpt #: 187 total cpu time spent up to now is 254.6 secs Computing kpt #: 188 total cpu time spent up to now is 255.9 secs Computing kpt #: 189 total cpu time spent up to now is 257.2 secs Computing kpt #: 190 total cpu time spent up to now is 258.8 secs Computing kpt #: 191 total cpu time spent up to now is 260.5 secs Computing kpt #: 192 total cpu time spent up to now is 262.4 secs Computing kpt #: 193 total cpu time spent up to now is 264.4 secs Computing kpt #: 194 total cpu time spent up to now is 266.3 secs Computing kpt #: 195 total cpu time spent up to now is 268.3 secs Computing kpt #: 196 total cpu time spent up to now is 270.0 secs Computing kpt #: 197 total cpu time spent up to now is 271.9 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.7 secs Computing kpt #: 199 total cpu time spent up to now is 276.4 secs Computing kpt #: 200 total cpu time spent up to now is 278.0 secs Computing kpt #: 201 total cpu time spent up to now is 279.6 secs Computing kpt #: 202 total cpu time spent up to now is 280.9 secs Computing kpt #: 203 total cpu time spent up to now is 282.2 secs Computing kpt #: 204 total cpu time spent up to now is 283.5 secs Computing kpt #: 205 total cpu time spent up to now is 284.7 secs Computing kpt #: 206 total cpu time spent up to now is 286.0 secs Computing kpt #: 207 total cpu time spent up to now is 287.2 secs Computing kpt #: 208 total cpu time spent up to now is 288.5 secs Computing kpt #: 209 total cpu time spent up to now is 289.7 secs Computing kpt #: 210 total cpu time spent up to now is 290.9 secs Computing kpt #: 211 total cpu time spent up to now is 292.1 secs Computing kpt #: 212 total cpu time spent up to now is 293.2 secs Computing kpt #: 213 total cpu time spent up to now is 294.2 secs Computing kpt #: 214 total cpu time spent up to now is 295.3 secs Computing kpt #: 215 total cpu time spent up to now is 296.3 secs Computing kpt #: 216 total cpu time spent up to now is 297.3 secs Computing kpt #: 217 total cpu time spent up to now is 298.3 secs Computing kpt #: 218 total cpu time spent up to now is 299.4 secs Computing kpt #: 219 total cpu time spent up to now is 300.4 secs Computing kpt #: 220 total cpu time spent up to now is 301.5 secs Computing kpt #: 221 total cpu time spent up to now is 302.6 secs Computing kpt #: 222 total cpu time spent up to now is 303.8 secs Computing kpt #: 223 total cpu time spent up to now is 304.9 secs Computing kpt #: 224 total cpu time spent up to now is 306.1 secs Computing kpt #: 225 total cpu time spent up to now is 307.3 secs Computing kpt #: 226 total cpu time spent up to now is 308.6 secs Computing kpt #: 227 total cpu time spent up to now is 309.8 secs Computing kpt #: 228 total cpu time spent up to now is 311.1 secs Computing kpt #: 229 total cpu time spent up to now is 312.4 secs Computing kpt #: 230 total cpu time spent up to now is 313.7 secs Computing kpt #: 231 total cpu time spent up to now is 314.9 secs Computing kpt #: 232 total cpu time spent up to now is 316.2 secs Computing kpt #: 233 total cpu time spent up to now is 317.5 secs Computing kpt #: 234 total cpu time spent up to now is 318.8 secs Computing kpt #: 235 total cpu time spent up to now is 320.1 secs Computing kpt #: 236 total cpu time spent up to now is 321.3 secs Computing kpt #: 237 total cpu time spent up to now is 322.7 secs Computing kpt #: 238 total cpu time spent up to now is 324.4 secs Computing kpt #: 239 total cpu time spent up to now is 325.6 secs Computing kpt #: 240 total cpu time spent up to now is 326.9 secs Computing kpt #: 241 total cpu time spent up to now is 328.1 secs Computing kpt #: 242 total cpu time spent up to now is 329.4 secs Computing kpt #: 243 total cpu time spent up to now is 330.6 secs Computing kpt #: 244 total cpu time spent up to now is 331.8 secs Computing kpt #: 245 total cpu time spent up to now is 333.1 secs Computing kpt #: 246 total cpu time spent up to now is 334.3 secs Computing kpt #: 247 total cpu time spent up to now is 335.5 secs Computing kpt #: 248 total cpu time spent up to now is 336.8 secs Computing kpt #: 249 total cpu time spent up to now is 338.0 secs Computing kpt #: 250 total cpu time spent up to now is 339.2 secs Computing kpt #: 251 total cpu time spent up to now is 340.4 secs Computing kpt #: 252 total cpu time spent up to now is 341.7 secs Computing kpt #: 253 total cpu time spent up to now is 343.0 secs Computing kpt #: 254 total cpu time spent up to now is 344.3 secs Computing kpt #: 255 total cpu time spent up to now is 345.6 secs Computing kpt #: 256 total cpu time spent up to now is 346.9 secs Computing kpt #: 257 total cpu time spent up to now is 348.2 secs Computing kpt #: 258 total cpu time spent up to now is 349.5 secs Computing kpt #: 259 total cpu time spent up to now is 350.8 secs Computing kpt #: 260 total cpu time spent up to now is 352.1 secs Computing kpt #: 261 total cpu time spent up to now is 353.4 secs Computing kpt #: 262 total cpu time spent up to now is 354.7 secs Computing kpt #: 263 total cpu time spent up to now is 356.0 secs Computing kpt #: 264 total cpu time spent up to now is 357.3 secs Computing kpt #: 265 total cpu time spent up to now is 358.6 secs Computing kpt #: 266 total cpu time spent up to now is 359.9 secs Computing kpt #: 267 total cpu time spent up to now is 361.2 secs Computing kpt #: 268 total cpu time spent up to now is 362.6 secs Computing kpt #: 269 total cpu time spent up to now is 364.0 secs Computing kpt #: 270 total cpu time spent up to now is 365.6 secs Computing kpt #: 271 total cpu time spent up to now is 367.3 secs Computing kpt #: 272 total cpu time spent up to now is 369.0 secs Computing kpt #: 273 total cpu time spent up to now is 370.6 secs Computing kpt #: 274 total cpu time spent up to now is 372.2 secs Computing kpt #: 275 total cpu time spent up to now is 373.6 secs Computing kpt #: 276 total cpu time spent up to now is 375.4 secs Computing kpt #: 277 total cpu time spent up to now is 376.9 secs Computing kpt #: 278 total cpu time spent up to now is 378.6 secs Computing kpt #: 279 total cpu time spent up to now is 380.3 secs Computing kpt #: 280 total cpu time spent up to now is 382.1 secs Computing kpt #: 281 total cpu time spent up to now is 383.7 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 386.4 secs Computing kpt #: 283 total cpu time spent up to now is 388.3 secs Computing kpt #: 284 total cpu time spent up to now is 390.3 secs Computing kpt #: 285 total cpu time spent up to now is 392.3 secs Computing kpt #: 286 total cpu time spent up to now is 393.3 secs Computing kpt #: 287 total cpu time spent up to now is 394.4 secs Computing kpt #: 288 total cpu time spent up to now is 395.5 secs Computing kpt #: 289 total cpu time spent up to now is 396.5 secs Computing kpt #: 290 total cpu time spent up to now is 397.6 secs Computing kpt #: 291 total cpu time spent up to now is 398.7 secs Computing kpt #: 292 total cpu time spent up to now is 399.8 secs Computing kpt #: 293 total cpu time spent up to now is 400.9 secs Computing kpt #: 294 total cpu time spent up to now is 402.0 secs Computing kpt #: 295 total cpu time spent up to now is 403.1 secs Computing kpt #: 296 total cpu time spent up to now is 404.3 secs Computing kpt #: 297 total cpu time spent up to now is 405.4 secs Computing kpt #: 298 total cpu time spent up to now is 406.5 secs Computing kpt #: 299 total cpu time spent up to now is 407.7 secs Computing kpt #: 300 total cpu time spent up to now is 408.9 secs Computing kpt #: 301 total cpu time spent up to now is 410.0 secs Computing kpt #: 302 total cpu time spent up to now is 411.2 secs Computing kpt #: 303 total cpu time spent up to now is 412.5 secs Computing kpt #: 304 total cpu time spent up to now is 414.0 secs Computing kpt #: 305 total cpu time spent up to now is 415.8 secs Computing kpt #: 306 total cpu time spent up to now is 417.3 secs Computing kpt #: 307 total cpu time spent up to now is 418.6 secs Computing kpt #: 308 total cpu time spent up to now is 419.8 secs Computing kpt #: 309 total cpu time spent up to now is 421.0 secs Computing kpt #: 310 total cpu time spent up to now is 422.1 secs Computing kpt #: 311 total cpu time spent up to now is 423.3 secs Computing kpt #: 312 total cpu time spent up to now is 424.3 secs Computing kpt #: 313 total cpu time spent up to now is 425.3 secs Computing kpt #: 314 total cpu time spent up to now is 426.3 secs Computing kpt #: 315 total cpu time spent up to now is 427.3 secs ethr = 2.00E-08, avg # of iterations = 34.1 total cpu time spent up to now is 427.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9095 PWs) bands (ev): -81.1239 -81.1239 -81.1202 -81.1202 -46.8091 -46.8091 -46.7923 -46.7923 -45.0802 -45.0802 -45.0746 -45.0746 -45.0695 -45.0695 -45.0362 -45.0362 4.1986 4.1986 7.1619 7.1619 7.3546 7.3546 7.7935 7.7935 7.8117 7.8117 8.3006 8.3006 8.4192 8.4192 8.8291 8.8291 8.9314 8.9314 9.4040 9.4040 9.4772 9.4772 9.5346 9.5346 9.9931 9.9931 10.0042 10.0042 10.1935 10.1935 10.9949 10.9949 10.9990 10.9990 11.0028 11.0028 11.0243 11.0243 11.0623 11.0623 11.1498 11.1498 11.4619 11.4619 k = 0.0000 0.0000 0.0168 ( 9089 PWs) bands (ev): -81.1241 -81.1241 -81.1198 -81.1198 -46.8090 -46.8090 -46.7924 -46.7924 -45.0801 -45.0801 -45.0747 -45.0747 -45.0694 -45.0694 -45.0362 -45.0362 4.2006 4.2006 7.1629 7.1629 7.3527 7.3527 7.7953 7.7953 7.8133 7.8133 8.3014 8.3014 8.4174 8.4174 8.8296 8.8296 8.9270 8.9270 9.4046 9.4046 9.4778 9.4778 9.5346 9.5346 9.9935 9.9935 10.0061 10.0061 10.1934 10.1934 10.9883 10.9883 10.9979 10.9979 11.0019 11.0019 11.0215 11.0215 11.0616 11.0616 11.1518 11.1518 11.4664 11.4664 k = 0.0000 0.0000 0.0335 ( 9081 PWs) bands (ev): -81.1239 -81.1239 -81.1198 -81.1198 -46.8090 -46.8090 -46.7923 -46.7923 -45.0801 -45.0801 -45.0746 -45.0746 -45.0694 -45.0694 -45.0361 -45.0361 4.2068 4.2068 7.1658 7.1658 7.3481 7.3481 7.7993 7.7993 7.8172 7.8172 8.3028 8.3028 8.4146 8.4146 8.8288 8.8288 8.9163 8.9163 9.4066 9.4066 9.4802 9.4802 9.5350 9.5350 9.9906 9.9906 10.0147 10.0147 10.1905 10.1905 10.9726 10.9726 10.9891 10.9891 10.9981 10.9981 11.0160 11.0160 11.0609 11.0609 11.1558 11.1558 11.4788 11.4788 k = 0.0000 0.0000 0.0503 ( 9097 PWs) bands (ev): -81.1240 -81.1240 -81.1202 -81.1202 -46.8091 -46.8091 -46.7923 -46.7923 -45.0802 -45.0802 -45.0746 -45.0746 -45.0695 -45.0695 -45.0361 -45.0361 4.2170 4.2170 7.1705 7.1705 7.3404 7.3404 7.8053 7.8053 7.8232 7.8232 8.3044 8.3044 8.4092 8.4092 8.8277 8.8277 8.8986 8.8986 9.4095 9.4095 9.4838 9.4838 9.5354 9.5354 9.9831 9.9831 10.0310 10.0310 10.1840 10.1840 10.9467 10.9467 10.9731 10.9731 10.9903 10.9903 11.0110 11.0110 11.0607 11.0607 11.1615 11.1615 11.4966 11.4966 k = 0.0000 0.0000 0.0670 ( 9097 PWs) bands (ev): -81.1241 -81.1241 -81.1201 -81.1201 -46.8091 -46.8091 -46.7924 -46.7924 -45.0802 -45.0802 -45.0747 -45.0747 -45.0695 -45.0695 -45.0361 -45.0361 4.2312 4.2312 7.1771 7.1771 7.3301 7.3301 7.8139 7.8139 7.8319 7.8319 8.3076 8.3076 8.4011 8.4011 8.8266 8.8266 8.8750 8.8750 9.4133 9.4133 9.4890 9.4890 9.5361 9.5361 9.9721 9.9721 10.0533 10.0533 10.1775 10.1775 10.9115 10.9115 10.9546 10.9546 10.9774 10.9774 11.0069 11.0069 11.0609 11.0609 11.1692 11.1692 11.5169 11.5169 k = 0.0000 0.0000 0.0838 ( 9101 PWs) bands (ev): -81.1243 -81.1243 -81.1200 -81.1200 -46.8091 -46.8091 -46.7924 -46.7924 -45.0802 -45.0802 -45.0748 -45.0748 -45.0695 -45.0695 -45.0362 -45.0362 4.2495 4.2495 7.1855 7.1855 7.3177 7.3177 7.8243 7.8243 7.8424 7.8424 8.3118 8.3118 8.3914 8.3914 8.8254 8.8254 8.8454 8.8454 9.4175 9.4175 9.4955 9.4955 9.5369 9.5369 9.9579 9.9579 10.0802 10.0802 10.1690 10.1690 10.8695 10.8695 10.9345 10.9345 10.9600 10.9600 11.0033 11.0033 11.0615 11.0615 11.1776 11.1776 11.5373 11.5373 k = 0.0000 0.0000 0.1005 ( 9085 PWs) bands (ev): -81.1241 -81.1241 -81.1198 -81.1198 -46.8091 -46.8091 -46.7924 -46.7924 -45.0802 -45.0802 -45.0748 -45.0748 -45.0695 -45.0695 -45.0361 -45.0361 4.2718 4.2718 7.1957 7.1957 7.3041 7.3041 7.8366 7.8366 7.8545 7.8545 8.3174 8.3174 8.3797 8.3797 8.8128 8.8128 8.8237 8.8237 9.4223 9.4223 9.5031 9.5031 9.5390 9.5390 9.9408 9.9408 10.1107 10.1107 10.1599 10.1599 10.8233 10.8233 10.9127 10.9127 10.9396 10.9396 10.9997 10.9997 11.0618 11.0618 11.1863 11.1863 11.5562 11.5562 k = 0.0000 0.0000 0.1173 ( 9075 PWs) bands (ev): -81.1241 -81.1241 -81.1195 -81.1195 -46.8090 -46.8090 -46.7924 -46.7924 -45.0802 -45.0802 -45.0748 -45.0748 -45.0694 -45.0694 -45.0362 -45.0362 4.2980 4.2980 7.2077 7.2077 7.2892 7.2892 7.8506 7.8506 7.8680 7.8680 8.3237 8.3237 8.3657 8.3657 8.7769 8.7769 8.8218 8.8218 9.4268 9.4268 9.5096 9.5096 9.5432 9.5432 9.9209 9.9209 10.1409 10.1409 10.1516 10.1516 10.7744 10.7744 10.8895 10.8895 10.9173 10.9173 10.9959 10.9959 11.0611 11.0611 11.1948 11.1948 11.5725 11.5725 k = 0.0000 0.0000 0.1341 ( 9094 PWs) bands (ev): -81.1246 -81.1246 -81.1195 -81.1195 -46.8090 -46.8090 -46.7926 -46.7926 -45.0802 -45.0802 -45.0749 -45.0749 -45.0694 -45.0694 -45.0363 -45.0363 4.3282 4.3282 7.2213 7.2213 7.2735 7.2735 7.8658 7.8658 7.8823 7.8823 8.3295 8.3295 8.3505 8.3505 8.7383 8.7383 8.8191 8.8191 9.4302 9.4302 9.5122 9.5122 9.5503 9.5503 9.8985 9.8985 10.1335 10.1335 10.1798 10.1798 10.7239 10.7239 10.8645 10.8645 10.8941 10.8941 10.9915 10.9915 11.0590 11.0590 11.2024 11.2024 11.5857 11.5857 k = 0.0000 0.0000 0.1508 ( 9102 PWs) bands (ev): -81.1247 -81.1247 -81.1196 -81.1196 -46.8090 -46.8090 -46.7926 -46.7926 -45.0802 -45.0802 -45.0750 -45.0750 -45.0695 -45.0695 -45.0363 -45.0363 4.3622 4.3622 7.2364 7.2364 7.2578 7.2578 7.8814 7.8814 7.8975 7.8975 8.3253 8.3253 8.3443 8.3443 8.6979 8.6979 8.8161 8.8161 9.4335 9.4335 9.5119 9.5119 9.5633 9.5633 9.8742 9.8742 10.1181 10.1181 10.2147 10.2147 10.6727 10.6727 10.8379 10.8379 10.8712 10.8712 10.9871 10.9871 11.0557 11.0557 11.2095 11.2095 11.5955 11.5955 k = 0.0000 0.0000 0.1676 ( 9110 PWs) bands (ev): -81.1248 -81.1248 -81.1197 -81.1197 -46.8091 -46.8091 -46.7927 -46.7927 -45.0802 -45.0802 -45.0750 -45.0750 -45.0695 -45.0695 -45.0364 -45.0364 4.3999 4.3999 7.2407 7.2407 7.2545 7.2545 7.8968 7.8968 7.9144 7.9144 8.3063 8.3063 8.3516 8.3516 8.6567 8.6567 8.8133 8.8133 9.4354 9.4354 9.5083 9.5083 9.5799 9.5799 9.8486 9.8486 10.1005 10.1005 10.2498 10.2498 10.6217 10.6217 10.8092 10.8092 10.8495 10.8495 10.9825 10.9825 11.0510 11.0510 11.2160 11.2160 11.6021 11.6021 k = 0.0000 0.0000 0.1843 ( 9106 PWs) bands (ev): -81.1248 -81.1248 -81.1196 -81.1196 -46.8091 -46.8091 -46.7927 -46.7927 -45.0802 -45.0802 -45.0750 -45.0750 -45.0695 -45.0695 -45.0364 -45.0364 4.4415 4.4415 7.2255 7.2255 7.2724 7.2724 7.9111 7.9111 7.9337 7.9337 8.2838 8.2838 8.3619 8.3619 8.6151 8.6151 8.8105 8.8105 9.4345 9.4345 9.5027 9.5027 9.5994 9.5994 9.8228 9.8228 10.0818 10.0818 10.2839 10.2839 10.5716 10.5716 10.7783 10.7783 10.8301 10.8301 10.9779 10.9779 11.0451 11.0451 11.2224 11.2224 11.6057 11.6057 k = 0.0000 0.0000 0.2011 ( 9110 PWs) bands (ev): -81.1250 -81.1250 -81.1197 -81.1197 -46.8091 -46.8091 -46.7927 -46.7927 -45.0803 -45.0803 -45.0751 -45.0751 -45.0695 -45.0695 -45.0364 -45.0364 4.4867 4.4867 7.2103 7.2103 7.2920 7.2920 7.9236 7.9236 7.9549 7.9549 8.2586 8.2586 8.3736 8.3736 8.5737 8.5737 8.8081 8.8081 9.4290 9.4290 9.4970 9.4970 9.6197 9.6197 9.7976 9.7976 10.0616 10.0616 10.3155 10.3155 10.5236 10.5236 10.7453 10.7453 10.8129 10.8129 10.9730 10.9730 11.0381 11.0381 11.2279 11.2279 11.6066 11.6066 k = 0.0000 0.0000 0.2178 ( 9112 PWs) bands (ev): -81.1251 -81.1251 -81.1196 -81.1196 -46.8091 -46.8091 -46.7928 -46.7928 -45.0803 -45.0803 -45.0751 -45.0751 -45.0695 -45.0695 -45.0365 -45.0365 4.5354 4.5354 7.1956 7.1956 7.3131 7.3131 7.9343 7.9343 7.9781 7.9781 8.2307 8.2307 8.3865 8.3865 8.5326 8.5326 8.8052 8.8052 9.4162 9.4162 9.4931 9.4931 9.6417 9.6417 9.7743 9.7743 10.0404 10.0404 10.3417 10.3417 10.4805 10.4805 10.7105 10.7105 10.7980 10.7980 10.9683 10.9683 11.0301 11.0301 11.2331 11.2331 11.6050 11.6050 k = 0.0000 0.0000 0.2346 ( 9106 PWs) bands (ev): -81.1251 -81.1251 -81.1195 -81.1195 -46.8091 -46.8091 -46.7928 -46.7928 -45.0803 -45.0803 -45.0752 -45.0752 -45.0695 -45.0695 -45.0365 -45.0365 4.5875 4.5875 7.1817 7.1817 7.3353 7.3353 7.9432 7.9432 8.0021 8.0021 8.2011 8.2011 8.4003 8.4003 8.4930 8.4930 8.8030 8.8030 9.3947 9.3947 9.4921 9.4921 9.6646 9.6646 9.7539 9.7539 10.0184 10.0184 10.3537 10.3537 10.4511 10.4511 10.6741 10.6741 10.7852 10.7852 10.9636 10.9636 11.0219 11.0219 11.2379 11.2379 11.6012 11.6012 k = 0.0000 0.0000 0.2514 ( 9122 PWs) bands (ev): -81.1252 -81.1252 -81.1198 -81.1198 -46.8092 -46.8092 -46.7929 -46.7929 -45.0804 -45.0804 -45.0752 -45.0752 -45.0696 -45.0696 -45.0365 -45.0365 4.6430 4.6430 7.1686 7.1686 7.3585 7.3585 7.9498 7.9498 8.0262 8.0262 8.1691 8.1691 8.4130 8.4130 8.4567 8.4567 8.8000 8.8000 9.3652 9.3652 9.4931 9.4931 9.6868 9.6868 9.7369 9.7369 9.9955 9.9955 10.3371 10.3371 10.4495 10.4495 10.6361 10.6361 10.7740 10.7740 10.9590 10.9590 11.0139 11.0139 11.2417 11.2417 11.5955 11.5955 k = 0.0000 0.0000 0.2681 ( 9126 PWs) bands (ev): -81.1253 -81.1253 -81.1198 -81.1198 -46.8092 -46.8092 -46.7929 -46.7929 -45.0804 -45.0804 -45.0753 -45.0753 -45.0696 -45.0696 -45.0365 -45.0365 4.7018 4.7018 7.1561 7.1561 7.3825 7.3825 7.9544 7.9544 8.0508 8.0508 8.1351 8.1351 8.4071 8.4071 8.4421 8.4421 8.7981 8.7981 9.3296 9.3296 9.4959 9.4959 9.7072 9.7072 9.7238 9.7238 9.9735 9.9735 10.3018 10.3018 10.4658 10.4658 10.5971 10.5971 10.7638 10.7638 10.9546 10.9546 11.0067 11.0067 11.2452 11.2452 11.5880 11.5880 k = 0.0000 0.0000 0.2849 ( 9126 PWs) bands (ev): -81.1253 -81.1253 -81.1198 -81.1198 -46.8093 -46.8093 -46.7929 -46.7929 -45.0804 -45.0804 -45.0753 -45.0753 -45.0697 -45.0697 -45.0366 -45.0366 4.7636 4.7636 7.1445 7.1445 7.4073 7.4073 7.9564 7.9564 8.0737 8.0737 8.1008 8.1008 8.3767 8.3767 8.4557 8.4557 8.7966 8.7966 9.2896 9.2896 9.4996 9.4996 9.7102 9.7102 9.7283 9.7283 9.9529 9.9529 10.2619 10.2619 10.4864 10.4864 10.5574 10.5574 10.7542 10.7542 10.9504 10.9504 11.0011 11.0011 11.2482 11.2482 11.5789 11.5789 k = 0.0000 0.0000 0.3016 ( 9126 PWs) bands (ev): -81.1254 -81.1254 -81.1197 -81.1197 -46.8093 -46.8093 -46.7930 -46.7930 -45.0804 -45.0804 -45.0754 -45.0754 -45.0697 -45.0697 -45.0366 -45.0366 4.8283 4.8283 7.1334 7.1334 7.4327 7.4327 7.9555 7.9555 8.0577 8.0577 8.1012 8.1012 8.3464 8.3464 8.4743 8.4743 8.7957 8.7957 9.2471 9.2471 9.5035 9.5035 9.7020 9.7020 9.7413 9.7413 9.9366 9.9366 10.2214 10.2214 10.5023 10.5023 10.5216 10.5216 10.7447 10.7447 10.9464 10.9464 10.9975 10.9975 11.2513 11.2513 11.5681 11.5681 k = 0.0000 0.0000 0.3184 ( 9114 PWs) bands (ev): -81.1252 -81.1252 -81.1195 -81.1195 -46.8092 -46.8092 -46.7930 -46.7930 -45.0804 -45.0804 -45.0754 -45.0754 -45.0696 -45.0696 -45.0366 -45.0366 4.8958 4.8958 7.1229 7.1229 7.4584 7.4584 7.9515 7.9515 8.0191 8.0191 8.1198 8.1198 8.3210 8.3210 8.4945 8.4945 8.7957 8.7957 9.2041 9.2041 9.5082 9.5082 9.6950 9.6950 9.7470 9.7470 9.9271 9.9271 10.1820 10.1820 10.4722 10.4722 10.5297 10.5297 10.7352 10.7352 10.9427 10.9427 10.9965 10.9965 11.2541 11.2541 11.5559 11.5559 k = 0.0000 0.0000 0.3351 ( 9120 PWs) bands (ev): -81.1254 -81.1254 -81.1195 -81.1195 -46.8092 -46.8092 -46.7930 -46.7930 -45.0804 -45.0804 -45.0754 -45.0754 -45.0697 -45.0697 -45.0366 -45.0366 4.9658 4.9658 7.1125 7.1125 7.4842 7.4842 7.9425 7.9425 7.9792 7.9792 8.1320 8.1320 8.3040 8.3040 8.5159 8.5159 8.7957 8.7957 9.1615 9.1615 9.5125 9.5125 9.6889 9.6889 9.7417 9.7417 9.9265 9.9265 10.1442 10.1442 10.4311 10.4311 10.5467 10.5467 10.7250 10.7250 10.9393 10.9393 10.9978 10.9978 11.2562 11.2562 11.5422 11.5422 k = 0.0000 0.0000 0.3519 ( 9124 PWs) bands (ev): -81.1254 -81.1254 -81.1196 -81.1196 -46.8093 -46.8093 -46.7930 -46.7930 -45.0805 -45.0805 -45.0755 -45.0755 -45.0697 -45.0697 -45.0366 -45.0366 5.0382 5.0382 7.1019 7.1019 7.5099 7.5099 7.9199 7.9199 7.9483 7.9483 8.1342 8.1342 8.2989 8.2989 8.5382 8.5382 8.7962 8.7962 9.1212 9.1212 9.5167 9.5167 9.6834 9.6834 9.7269 9.7269 9.9345 9.9345 10.1084 10.1084 10.3895 10.3895 10.5623 10.5623 10.7149 10.7149 10.9363 10.9363 11.0015 11.0015 11.2578 11.2578 11.5272 11.5272 k = 0.0000 0.0000 0.3687 ( 9116 PWs) bands (ev): -81.1252 -81.1252 -81.1196 -81.1196 -46.8093 -46.8093 -46.7930 -46.7930 -45.0805 -45.0805 -45.0754 -45.0754 -45.0697 -45.0697 -45.0366 -45.0366 5.1128 5.1128 7.0907 7.0907 7.5354 7.5354 7.8796 7.8796 7.9314 7.9314 8.1261 8.1261 8.3058 8.3058 8.5615 8.5615 8.7977 8.7977 9.0841 9.0841 9.5207 9.5207 9.6782 9.6782 9.7050 9.7050 9.9486 9.9486 10.0748 10.0748 10.3481 10.3481 10.5760 10.5760 10.7052 10.7052 10.9338 10.9338 11.0072 11.0072 11.2594 11.2594 11.5110 11.5110 k = 0.0000 0.0000 0.3854 ( 9108 PWs) bands (ev): -81.1250 -81.1250 -81.1196 -81.1196 -46.8093 -46.8093 -46.7929 -46.7929 -45.0805 -45.0805 -45.0754 -45.0754 -45.0698 -45.0698 -45.0366 -45.0366 5.1892 5.1892 7.0781 7.0781 7.5604 7.5604 7.8346 7.8346 7.9157 7.9157 8.1111 8.1111 8.3215 8.3215 8.5850 8.5850 8.8004 8.8004 9.0502 9.0502 9.5247 9.5247 9.6721 9.6721 9.6792 9.6792 9.9658 9.9658 10.0437 10.0437 10.3074 10.3074 10.5874 10.5874 10.6966 10.6966 10.9318 10.9318 11.0145 11.0145 11.2610 11.2610 11.4937 11.4937 k = 0.0000 0.0000 0.4022 ( 9110 PWs) bands (ev): -81.1250 -81.1250 -81.1196 -81.1196 -46.8093 -46.8093 -46.7930 -46.7930 -45.0805 -45.0805 -45.0754 -45.0754 -45.0698 -45.0698 -45.0366 -45.0366 5.2669 5.2669 7.0632 7.0632 7.5845 7.5845 7.7889 7.7889 7.8987 7.8987 8.0922 8.0922 8.3414 8.3414 8.6095 8.6095 8.8036 8.8036 9.0203 9.0203 9.5283 9.5283 9.6478 9.6478 9.6689 9.6689 9.9820 9.9820 10.0168 10.0168 10.2677 10.2677 10.5951 10.5951 10.6897 10.6897 10.9302 10.9302 11.0229 11.0229 11.2621 11.2621 11.4756 11.4756 k = 0.0000 0.0000 0.4189 ( 9110 PWs) bands (ev): -81.1251 -81.1251 -81.1195 -81.1195 -46.8093 -46.8093 -46.7930 -46.7930 -45.0805 -45.0805 -45.0755 -45.0755 -45.0698 -45.0698 -45.0367 -45.0367 5.3458 5.3458 7.0453 7.0453 7.6074 7.6074 7.7447 7.7447 7.8801 7.8801 8.0721 8.0721 8.3633 8.3633 8.6341 8.6341 8.8084 8.8084 8.9947 8.9947 9.5304 9.5304 9.6174 9.6174 9.6635 9.6635 9.9808 9.9808 10.0099 10.0099 10.2294 10.2294 10.5992 10.5992 10.6856 10.6856 10.9291 10.9291 11.0320 11.0320 11.2634 11.2634 11.4569 11.4569 k = 0.0000 0.0000 0.4357 ( 9114 PWs) bands (ev): -81.1252 -81.1252 -81.1195 -81.1195 -46.8094 -46.8094 -46.7931 -46.7931 -45.0806 -45.0806 -45.0755 -45.0755 -45.0698 -45.0698 -45.0367 -45.0367 5.4252 5.4252 7.0232 7.0232 7.6289 7.6289 7.7033 7.7033 7.8603 7.8603 8.0526 8.0526 8.3854 8.3854 8.6587 8.6587 8.8135 8.8135 8.9730 8.9730 9.5307 9.5307 9.5876 9.5876 9.6582 9.6582 9.9594 9.9594 10.0247 10.0247 10.1930 10.1930 10.6001 10.6001 10.6847 10.6847 10.9285 10.9285 11.0413 11.0413 11.2643 11.2643 11.4379 11.4379 k = 0.0000 0.0000 0.4524 ( 9114 PWs) bands (ev): -81.1253 -81.1253 -81.1194 -81.1194 -46.8093 -46.8093 -46.7931 -46.7931 -45.0806 -45.0806 -45.0756 -45.0756 -45.0698 -45.0698 -45.0367 -45.0367 5.5045 5.5045 6.9963 6.9963 7.6489 7.6489 7.6662 7.6662 7.8402 7.8402 8.0342 8.0342 8.4069 8.4069 8.6827 8.6827 8.8197 8.8197 8.9548 8.9548 9.5261 9.5261 9.5627 9.5627 9.6529 9.6529 9.9382 9.9382 10.0413 10.0413 10.1589 10.1589 10.5981 10.5981 10.6864 10.6864 10.9282 10.9282 11.0505 11.0505 11.2652 11.2652 11.4190 11.4190 k = 0.0000 0.0000 0.4692 ( 9122 PWs) bands (ev): -81.1253 -81.1253 -81.1196 -81.1196 -46.8094 -46.8094 -46.7931 -46.7931 -45.0806 -45.0806 -45.0756 -45.0756 -45.0698 -45.0698 -45.0367 -45.0367 5.5830 5.5830 6.9640 6.9640 7.6347 7.6347 7.6666 7.6666 7.8197 7.8197 8.0177 8.0177 8.4263 8.4263 8.7052 8.7052 8.8268 8.8268 8.9401 8.9401 9.5085 9.5085 9.5509 9.5509 9.6475 9.6475 9.9190 9.9190 10.0566 10.0566 10.1277 10.1277 10.5946 10.5946 10.6903 10.6903 10.9282 10.9282 11.0592 11.0592 11.2657 11.2657 11.4008 11.4008 k = 0.0000 0.0000 0.4860 ( 9120 PWs) bands (ev): -81.1252 -81.1252 -81.1195 -81.1195 -46.8094 -46.8094 -46.7931 -46.7931 -45.0806 -45.0806 -45.0756 -45.0756 -45.0698 -45.0698 -45.0367 -45.0367 5.6595 5.6595 6.9268 6.9268 7.6094 7.6094 7.6818 7.6818 7.8003 7.8003 8.0032 8.0032 8.4449 8.4449 8.7257 8.7257 8.8352 8.8352 8.9286 8.9286 9.4826 9.4826 9.5484 9.5484 9.6424 9.6424 9.9023 9.9023 10.0698 10.0698 10.1001 10.1001 10.5904 10.5904 10.6953 10.6953 10.9285 10.9285 11.0672 11.0672 11.2659 11.2659 11.3835 11.3835 k = 0.0000 0.0000 0.5027 ( 9106 PWs) bands (ev): -81.1250 -81.1250 -81.1194 -81.1194 -46.8094 -46.8094 -46.7930 -46.7930 -45.0806 -45.0806 -45.0756 -45.0756 -45.0698 -45.0698 -45.0367 -45.0367 5.7325 5.7325 6.8858 6.8858 7.5908 7.5908 7.6939 7.6939 7.7829 7.7829 7.9907 7.9907 8.4607 8.4607 8.7440 8.7440 8.8449 8.8449 8.9199 8.9199 9.4567 9.4567 9.5486 9.5486 9.6376 9.6376 9.8881 9.8881 10.0716 10.0716 10.0865 10.0865 10.5865 10.5865 10.7005 10.7005 10.9289 10.9289 11.0743 11.0743 11.2666 11.2666 11.3678 11.3678 k = 0.0000 0.0000 0.5195 ( 9110 PWs) bands (ev): -81.1250 -81.1250 -81.1195 -81.1195 -46.8094 -46.8094 -46.7931 -46.7931 -45.0807 -45.0807 -45.0756 -45.0756 -45.0699 -45.0699 -45.0367 -45.0367 5.8001 5.8001 6.8432 6.8432 7.5780 7.5780 7.7019 7.7019 7.7688 7.7688 7.9801 7.9801 8.4743 8.4743 8.7586 8.7586 8.8546 8.8546 8.9136 8.9136 9.4323 9.4323 9.5486 9.5486 9.6333 9.6333 9.8765 9.8765 10.0527 10.0527 10.0944 10.0944 10.5828 10.5828 10.7052 10.7052 10.9294 10.9294 11.0802 11.0802 11.2666 11.2666 11.3540 11.3540 k = 0.0000 0.0000 0.5362 ( 9106 PWs) bands (ev): -81.1249 -81.1249 -81.1195 -81.1195 -46.8094 -46.8094 -46.7930 -46.7930 -45.0807 -45.0807 -45.0756 -45.0756 -45.0699 -45.0699 -45.0367 -45.0367 5.8594 5.8594 6.8025 6.8025 7.5702 7.5702 7.7046 7.7046 7.7599 7.7599 7.9721 7.9721 8.4851 8.4851 8.7698 8.7698 8.8646 8.8646 8.9087 8.9087 9.4118 9.4118 9.5491 9.5491 9.6297 9.6297 9.8675 9.8675 10.0365 10.0365 10.1020 10.1020 10.5799 10.5799 10.7095 10.7095 10.9299 10.9299 11.0850 11.0850 11.2668 11.2668 11.3428 11.3428 k = 0.0000 0.0000 0.5530 ( 9098 PWs) bands (ev): -81.1249 -81.1249 -81.1193 -81.1193 -46.8094 -46.8094 -46.7930 -46.7930 -45.0806 -45.0806 -45.0756 -45.0756 -45.0698 -45.0698 -45.0366 -45.0366 5.9066 5.9066 6.7679 6.7679 7.5660 7.5660 7.7029 7.7029 7.7562 7.7562 7.9661 7.9661 8.4933 8.4933 8.7782 8.7782 8.8737 8.8737 8.9052 8.9052 9.3961 9.3961 9.5493 9.5493 9.6269 9.6269 9.8610 9.8610 10.0247 10.0247 10.1078 10.1078 10.5778 10.5778 10.7125 10.7125 10.9303 10.9303 11.0884 11.0884 11.2676 11.2676 11.3344 11.3344 k = 0.0000 0.0000 0.5697 ( 9074 PWs) bands (ev): -81.1247 -81.1247 -81.1189 -81.1189 -46.8093 -46.8093 -46.7930 -46.7930 -45.0806 -45.0806 -45.0755 -45.0755 -45.0697 -45.0697 -45.0366 -45.0366 5.9376 5.9376 6.7443 6.7443 7.5642 7.5642 7.7002 7.7002 7.7557 7.7557 7.9628 7.9628 8.4986 8.4986 8.7834 8.7834 8.8803 8.8803 8.9038 8.9038 9.3862 9.3862 9.5495 9.5495 9.6253 9.6253 9.8571 9.8571 10.0175 10.0175 10.1114 10.1114 10.5767 10.5767 10.7149 10.7149 10.9306 10.9306 11.0905 11.0905 11.2685 11.2685 11.3292 11.3292 k = 0.0000 0.0000 0.5865 ( 9068 PWs) bands (ev): -81.1246 -81.1246 -81.1188 -81.1188 -46.8092 -46.8092 -46.7930 -46.7930 -45.0805 -45.0805 -45.0756 -45.0756 -45.0697 -45.0697 -45.0366 -45.0366 5.9484 5.9484 6.7359 6.7359 7.5638 7.5638 7.6988 7.6988 7.7558 7.7558 7.9615 7.9615 8.5008 8.5008 8.7850 8.7850 8.8824 8.8824 8.9033 8.9033 9.3828 9.3828 9.5496 9.5496 9.6248 9.6248 9.8558 9.8558 10.0151 10.0151 10.1127 10.1127 10.5763 10.5763 10.7154 10.7154 10.9307 10.9307 11.0912 11.0912 11.2686 11.2686 11.3275 11.3275 k = 0.0000 0.0000 0.5865 ( 9068 PWs) bands (ev): -81.1246 -81.1246 -81.1188 -81.1188 -46.8092 -46.8092 -46.7930 -46.7930 -45.0805 -45.0805 -45.0756 -45.0756 -45.0697 -45.0697 -45.0366 -45.0366 5.9484 5.9484 6.7359 6.7359 7.5638 7.5638 7.6988 7.6988 7.7558 7.7558 7.9615 7.9615 8.5008 8.5008 8.7850 8.7850 8.8824 8.8824 8.9033 8.9033 9.3828 9.3828 9.5496 9.5496 9.6248 9.6248 9.8558 9.8558 10.0151 10.0151 10.1127 10.1127 10.5763 10.5763 10.7154 10.7154 10.9307 10.9307 11.0912 11.0912 11.2686 11.2686 11.3275 11.3275 k =-0.0143 0.0088 0.5865 ( 9078 PWs) bands (ev): -81.1247 -81.1247 -81.1190 -81.1190 -46.8093 -46.8093 -46.7930 -46.7930 -45.0806 -45.0806 -45.0755 -45.0755 -45.0697 -45.0697 -45.0366 -45.0366 5.9498 5.9498 6.7373 6.7373 7.5645 7.5645 7.6982 7.6982 7.7560 7.7560 7.9618 7.9618 8.5006 8.5006 8.7842 8.7842 8.8817 8.8817 8.9027 8.9027 9.3838 9.3838 9.5503 9.5503 9.6209 9.6209 9.8562 9.8562 10.0140 10.0140 10.1129 10.1129 10.5734 10.5734 10.7164 10.7164 10.9277 10.9277 11.0920 11.0920 11.2713 11.2713 11.3292 11.3292 k =-0.0286 0.0175 0.5865 ( 9092 PWs) bands (ev): -81.1249 -81.1249 -81.1191 -81.1191 -46.8093 -46.8093 -46.7931 -46.7931 -45.0806 -45.0806 -45.0756 -45.0756 -45.0698 -45.0698 -45.0367 -45.0367 5.9539 5.9539 6.7418 6.7418 7.5660 7.5660 7.6971 7.6971 7.7575 7.7575 7.9624 7.9624 8.5000 8.5000 8.7825 8.7825 8.8798 8.8798 8.9019 8.9019 9.3864 9.3864 9.5530 9.5530 9.6098 9.6098 9.8575 9.8575 10.0109 10.0109 10.1133 10.1133 10.5631 10.5631 10.7194 10.7194 10.9191 10.9191 11.0941 11.0941 11.2800 11.2800 11.3343 11.3343 k =-0.0429 0.0263 0.5865 ( 9112 PWs) bands (ev): -81.1252 -81.1252 -81.1193 -81.1193 -46.8094 -46.8094 -46.7932 -46.7932 -45.0806 -45.0806 -45.0757 -45.0757 -45.0698 -45.0698 -45.0368 -45.0368 5.9608 5.9608 6.7491 6.7491 7.5690 7.5690 7.6948 7.6948 7.7607 7.7607 7.9632 7.9632 8.4990 8.4990 8.7795 8.7795 8.8766 8.8766 8.9007 8.9007 9.3909 9.3909 9.5565 9.5565 9.5914 9.5914 9.8599 9.8599 10.0057 10.0057 10.1141 10.1141 10.5464 10.5464 10.7252 10.7252 10.9057 10.9057 11.0974 11.0974 11.2937 11.2937 11.3426 11.3426 k =-0.0571 0.0350 0.5865 ( 9104 PWs) bands (ev): -81.1251 -81.1251 -81.1192 -81.1192 -46.8094 -46.8094 -46.7931 -46.7931 -45.0806 -45.0806 -45.0757 -45.0757 -45.0698 -45.0698 -45.0367 -45.0367 5.9705 5.9705 6.7594 6.7594 7.5735 7.5735 7.6910 7.6910 7.7664 7.7664 7.9646 7.9646 8.4979 8.4979 8.7762 8.7762 8.8730 8.8730 8.8996 8.8996 9.3973 9.3973 9.5619 9.5619 9.5677 9.5677 9.8635 9.8635 9.9987 9.9987 10.1158 10.1158 10.5232 10.5232 10.7349 10.7349 10.8887 10.8887 11.1014 11.1014 11.3121 11.3121 11.3538 11.3538 k =-0.0714 0.0438 0.5865 ( 9104 PWs) bands (ev): -81.1250 -81.1250 -81.1193 -81.1193 -46.8094 -46.8094 -46.7931 -46.7931 -45.0807 -45.0807 -45.0756 -45.0756 -45.0698 -45.0698 -45.0367 -45.0367 5.9829 5.9829 6.7725 6.7725 7.5794 7.5794 7.6850 7.6850 7.7747 7.7747 7.9661 7.9661 8.4959 8.4959 8.7719 8.7719 8.8685 8.8685 8.8982 8.8982 9.4052 9.4052 9.5340 9.5340 9.5713 9.5713 9.8684 9.8684 9.9903 9.9903 10.1179 10.1179 10.4938 10.4938 10.7484 10.7484 10.8689 10.8689 11.1055 11.1055 11.3335 11.3335 11.3676 11.3676 k =-0.0857 0.0526 0.5865 ( 9116 PWs) bands (ev): -81.1251 -81.1251 -81.1195 -81.1195 -46.8095 -46.8095 -46.7931 -46.7931 -45.0807 -45.0807 -45.0757 -45.0757 -45.0699 -45.0699 -45.0368 -45.0368 5.9980 5.9980 6.7884 6.7884 7.5863 7.5863 7.6775 7.6775 7.7859 7.7859 7.9673 7.9673 8.4935 8.4935 8.7663 8.7663 8.8628 8.8628 8.8963 8.8963 9.4139 9.4139 9.4967 9.4967 9.5798 9.5798 9.8748 9.8748 9.9807 9.9807 10.1199 10.1199 10.4581 10.4581 10.7653 10.7653 10.8473 10.8473 11.1093 11.1093 11.3567 11.3567 11.3836 11.3836 k =-0.1000 0.0613 0.5865 ( 9122 PWs) bands (ev): -81.1252 -81.1252 -81.1196 -81.1196 -46.8095 -46.8095 -46.7932 -46.7932 -45.0808 -45.0808 -45.0757 -45.0757 -45.0699 -45.0699 -45.0368 -45.0368 6.0157 6.0157 6.8070 6.8070 7.5943 7.5943 7.6685 7.6685 7.7998 7.7998 7.9682 7.9682 8.4912 8.4912 8.7604 8.7604 8.8567 8.8567 8.8938 8.8938 9.4224 9.4224 9.4558 9.4558 9.5894 9.5894 9.8826 9.8826 9.9706 9.9706 10.1226 10.1226 10.4168 10.4168 10.7859 10.7859 10.8244 10.8244 11.1123 11.1123 11.3813 11.3813 11.4018 11.4018 k =-0.1143 0.0701 0.5865 ( 9120 PWs) bands (ev): -81.1251 -81.1251 -81.1197 -81.1197 -46.8096 -46.8096 -46.7932 -46.7932 -45.0808 -45.0808 -45.0757 -45.0757 -45.0700 -45.0700 -45.0368 -45.0368 6.0361 6.0361 6.8282 6.8282 7.6033 7.6033 7.6587 7.6587 7.8164 7.8164 7.9687 7.9687 8.4890 8.4890 8.7536 8.7536 8.8501 8.8501 8.8916 8.8916 9.4021 9.4021 9.4405 9.4405 9.5993 9.5993 9.8920 9.8920 9.9605 9.9605 10.1262 10.1262 10.3710 10.3710 10.8006 10.8006 10.8099 10.8099 11.1140 11.1140 11.4062 11.4062 11.4221 11.4221 k =-0.1286 0.0788 0.5865 ( 9110 PWs) bands (ev): -81.1250 -81.1250 -81.1195 -81.1195 -46.8095 -46.8095 -46.7931 -46.7931 -45.0808 -45.0808 -45.0757 -45.0757 -45.0699 -45.0699 -45.0368 -45.0368 6.0591 6.0591 6.8519 6.8519 7.6137 7.6137 7.6488 7.6488 7.8356 7.8356 7.9689 7.9689 8.4861 8.4861 8.7468 8.7468 8.8435 8.8435 8.8888 8.8888 9.3531 9.3531 9.4511 9.4511 9.6075 9.6075 9.9028 9.9028 9.9512 9.9512 10.1299 10.1299 10.3216 10.3216 10.7765 10.7765 10.8373 10.8373 11.1140 11.1140 11.4314 11.4314 11.4451 11.4451 k =-0.1429 0.0876 0.5865 ( 9118 PWs) bands (ev): -81.1250 -81.1250 -81.1197 -81.1197 -46.8096 -46.8096 -46.7932 -46.7932 -45.0808 -45.0808 -45.0757 -45.0757 -45.0700 -45.0700 -45.0368 -45.0368 6.0846 6.0846 6.8780 6.8780 7.6239 7.6239 7.6389 7.6389 7.8572 7.8572 7.9682 7.9682 8.4828 8.4828 8.7386 8.7386 8.8359 8.8359 8.8857 8.8857 9.2997 9.2997 9.4638 9.4638 9.6142 9.6142 9.9147 9.9147 9.9437 9.9437 10.1346 10.1346 10.2683 10.2683 10.7520 10.7520 10.8671 10.8671 11.1122 11.1122 11.4557 11.4557 11.4699 11.4699 k =-0.1571 0.0963 0.5865 ( 9116 PWs) bands (ev): -81.1248 -81.1248 -81.1199 -81.1199 -46.8097 -46.8097 -46.7931 -46.7931 -45.0809 -45.0809 -45.0757 -45.0757 -45.0701 -45.0701 -45.0367 -45.0367 6.1126 6.1126 6.9064 6.9064 7.6248 7.6248 7.6388 7.6388 7.8810 7.8810 7.9671 7.9671 8.4788 8.4788 8.7301 8.7301 8.8286 8.8286 8.8827 8.8827 9.2437 9.2437 9.4772 9.4772 9.6193 9.6193 9.9266 9.9266 9.9402 9.9402 10.1402 10.1402 10.2122 10.2122 10.7276 10.7276 10.8995 10.8995 11.1085 11.1085 11.4802 11.4802 11.4963 11.4963 k =-0.1714 0.1051 0.5865 ( 9116 PWs) bands (ev): -81.1248 -81.1248 -81.1199 -81.1199 -46.8097 -46.8097 -46.7931 -46.7931 -45.0809 -45.0809 -45.0757 -45.0757 -45.0701 -45.0701 -45.0368 -45.0368 6.1430 6.1430 6.9368 6.9368 7.6153 7.6153 7.6502 7.6502 7.9068 7.9068 7.9653 7.9653 8.4748 8.4748 8.7216 8.7216 8.8216 8.8216 8.8789 8.8789 9.1865 9.1865 9.4904 9.4904 9.6204 9.6204 9.9320 9.9320 9.9474 9.9474 10.1459 10.1459 10.1543 10.1543 10.7034 10.7034 10.9325 10.9325 11.1036 11.1036 11.5054 11.5054 11.5234 11.5234 k =-0.1857 0.1139 0.5865 ( 9106 PWs) bands (ev): -81.1248 -81.1248 -81.1197 -81.1197 -46.8097 -46.8097 -46.7932 -46.7932 -45.0809 -45.0809 -45.0758 -45.0758 -45.0700 -45.0700 -45.0368 -45.0368 6.1757 6.1757 6.9690 6.9690 7.6058 7.6058 7.6631 7.6631 7.9335 7.9335 7.9641 7.9641 8.4704 8.4704 8.7134 8.7134 8.8151 8.8151 8.8749 8.8749 9.1287 9.1287 9.5031 9.5031 9.6176 9.6176 9.9339 9.9339 9.9625 9.9625 10.0950 10.0950 10.1527 10.1527 10.6794 10.6794 10.9643 10.9643 11.0995 11.0995 11.5315 11.5315 11.5513 11.5513 k =-0.2000 0.1226 0.5865 ( 9098 PWs) bands (ev): -81.1248 -81.1248 -81.1195 -81.1195 -46.8096 -46.8096 -46.7932 -46.7932 -45.0809 -45.0809 -45.0758 -45.0758 -45.0700 -45.0700 -45.0368 -45.0368 6.2107 6.2107 7.0028 7.0028 7.5967 7.5967 7.6762 7.6762 7.9505 7.9505 7.9739 7.9739 8.4656 8.4656 8.7046 8.7046 8.8090 8.8090 8.8706 8.8706 9.0707 9.0707 9.5149 9.5149 9.6111 9.6111 9.9363 9.9363 9.9794 9.9794 10.0376 10.0376 10.1599 10.1599 10.6558 10.6558 10.9888 10.9888 11.1018 11.1018 11.5586 11.5586 11.5792 11.5792 k =-0.2143 0.1314 0.5865 ( 9104 PWs) bands (ev): -81.1250 -81.1250 -81.1195 -81.1195 -46.8096 -46.8096 -46.7932 -46.7932 -45.0809 -45.0809 -45.0759 -45.0759 -45.0700 -45.0700 -45.0368 -45.0368 6.2477 6.2477 7.0380 7.0380 7.5884 7.5884 7.6894 7.6894 7.9493 7.9493 8.0029 8.0029 8.4604 8.4604 8.6952 8.6952 8.8029 8.8029 8.8658 8.8658 9.0131 9.0131 9.5249 9.5249 9.6012 9.6012 9.9287 9.9287 9.9878 9.9878 10.0025 10.0025 10.1674 10.1674 10.6327 10.6327 10.9969 10.9969 11.1193 11.1193 11.5864 11.5864 11.6066 11.6066 k =-0.2286 0.1401 0.5865 ( 9104 PWs) bands (ev): -81.1251 -81.1251 -81.1194 -81.1194 -46.8096 -46.8096 -46.7933 -46.7933 -45.0809 -45.0809 -45.0759 -45.0759 -45.0700 -45.0700 -45.0369 -45.0369 6.2869 6.2869 7.0742 7.0742 7.5812 7.5812 7.7025 7.7025 7.9442 7.9442 8.0368 8.0368 8.4550 8.4550 8.6858 8.6858 8.7976 8.7976 8.8606 8.8606 8.9568 8.9568 9.5327 9.5327 9.5890 9.5890 9.8867 9.8867 9.9828 9.9828 10.0193 10.0193 10.1759 10.1759 10.6101 10.6101 10.9877 10.9877 11.1528 11.1528 11.6151 11.6151 11.6343 11.6343 k =-0.2429 0.1489 0.5865 ( 9094 PWs) bands (ev): -81.1249 -81.1249 -81.1193 -81.1193 -46.8096 -46.8096 -46.7933 -46.7933 -45.0810 -45.0810 -45.0759 -45.0759 -45.0700 -45.0700 -45.0369 -45.0369 6.3282 6.3282 7.1111 7.1111 7.5755 7.5755 7.7153 7.7153 7.9378 7.9378 8.0729 8.0729 8.4496 8.4496 8.6763 8.6763 8.7927 8.7927 8.8554 8.8554 8.9022 8.9022 9.5360 9.5360 9.5770 9.5770 9.8286 9.8286 9.9948 9.9948 10.0395 10.0395 10.1850 10.1850 10.5881 10.5881 10.9677 10.9677 11.1962 11.1962 11.6440 11.6440 11.6624 11.6624 k =-0.2571 0.1577 0.5865 ( 9090 PWs) bands (ev): -81.1251 -81.1251 -81.1190 -81.1190 -46.8096 -46.8096 -46.7934 -46.7934 -45.0809 -45.0809 -45.0760 -45.0760 -45.0699 -45.0699 -45.0369 -45.0369 6.3712 6.3712 7.1482 7.1482 7.5715 7.5715 7.7271 7.7271 7.9300 7.9300 8.1113 8.1113 8.4439 8.4439 8.6668 8.6668 8.7882 8.7882 8.8485 8.8485 8.8517 8.8517 9.5308 9.5308 9.5686 9.5686 9.7676 9.7676 10.0116 10.0116 10.0607 10.0607 10.1944 10.1944 10.5672 10.5672 10.9409 10.9409 11.2444 11.2444 11.6726 11.6726 11.6922 11.6922 k =-0.2714 0.1664 0.5865 ( 9106 PWs) bands (ev): -81.1254 -81.1254 -81.1191 -81.1191 -46.8096 -46.8096 -46.7935 -46.7935 -45.0810 -45.0810 -45.0761 -45.0761 -45.0700 -45.0700 -45.0370 -45.0370 6.4160 6.4160 7.1852 7.1852 7.5690 7.5690 7.7374 7.7374 7.9212 7.9212 8.1512 8.1512 8.4381 8.4381 8.6569 8.6569 8.7802 8.7802 8.8044 8.8044 8.8432 8.8432 9.5159 9.5159 9.5651 9.5651 9.7067 9.7067 10.0306 10.0306 10.0824 10.0824 10.2042 10.2042 10.5470 10.5470 10.9093 10.9093 11.2964 11.2964 11.6992 11.6992 11.7236 11.7236 k =-0.2857 0.1752 0.5865 ( 9110 PWs) bands (ev): -81.1253 -81.1253 -81.1193 -81.1193 -46.8097 -46.8097 -46.7935 -46.7935 -45.0810 -45.0810 -45.0761 -45.0761 -45.0701 -45.0701 -45.0370 -45.0370 6.4624 6.4624 7.2215 7.2215 7.5684 7.5684 7.7465 7.7465 7.9114 7.9114 8.1925 8.1925 8.4325 8.4325 8.6468 8.6468 8.7486 8.7486 8.7859 8.7859 8.8366 8.8366 9.4961 9.4961 9.5625 9.5625 9.6485 9.6485 10.0513 10.0513 10.1045 10.1045 10.2143 10.2143 10.5280 10.5280 10.8742 10.8742 11.3513 11.3513 11.7242 11.7242 11.7574 11.7574 k =-0.3000 0.1839 0.5865 ( 9114 PWs) bands (ev): -81.1254 -81.1254 -81.1193 -81.1193 -46.8097 -46.8097 -46.7935 -46.7935 -45.0811 -45.0811 -45.0762 -45.0762 -45.0701 -45.0701 -45.0371 -45.0371 6.5103 6.5103 7.2566 7.2566 7.5701 7.5701 7.7534 7.7534 7.9003 7.9003 8.2352 8.2352 8.4277 8.4277 8.6373 8.6373 8.7075 8.7075 8.7817 8.7817 8.8294 8.8294 9.4733 9.4733 9.5567 9.5567 9.5943 9.5943 10.0726 10.0726 10.1267 10.1267 10.2241 10.2241 10.5102 10.5102 10.8361 10.8361 11.4080 11.4080 11.7480 11.7480 11.7927 11.7927 k =-0.3143 0.1927 0.5865 ( 9114 PWs) bands (ev): -81.1255 -81.1255 -81.1192 -81.1192 -46.8097 -46.8097 -46.7936 -46.7936 -45.0811 -45.0811 -45.0762 -45.0762 -45.0701 -45.0701 -45.0371 -45.0371 6.5594 6.5594 7.2901 7.2901 7.5741 7.5741 7.7575 7.7575 7.8878 7.8878 8.2790 8.2790 8.4240 8.4240 8.6279 8.6279 8.6701 8.6701 8.7794 8.7794 8.8213 8.8213 9.4476 9.4476 9.5351 9.5351 9.5581 9.5581 10.0940 10.0940 10.1488 10.1488 10.2337 10.2337 10.4940 10.4940 10.7957 10.7957 11.4663 11.4663 11.7710 11.7710 11.8291 11.8291 k =-0.3286 0.2014 0.5865 ( 9118 PWs) bands (ev): -81.1256 -81.1256 -81.1192 -81.1192 -46.8097 -46.8097 -46.7936 -46.7936 -45.0811 -45.0811 -45.0762 -45.0762 -45.0701 -45.0701 -45.0371 -45.0371 6.6097 6.6097 7.3214 7.3214 7.5804 7.5804 7.7584 7.7584 7.8742 7.8742 8.3234 8.3234 8.4219 8.4219 8.6170 8.6170 8.6387 8.6387 8.7778 8.7778 8.8124 8.8124 9.4177 9.4177 9.4940 9.4940 9.5449 9.5449 10.1149 10.1149 10.1705 10.1705 10.2429 10.2429 10.4795 10.4795 10.7538 10.7538 11.5261 11.5261 11.7927 11.7927 11.8660 11.8660 k =-0.3429 0.2102 0.5865 ( 9118 PWs) bands (ev): -81.1257 -81.1257 -81.1191 -81.1191 -46.8097 -46.8097 -46.7937 -46.7937 -45.0811 -45.0811 -45.0763 -45.0763 -45.0701 -45.0701 -45.0372 -45.0372 6.6608 6.6608 7.3504 7.3504 7.5887 7.5887 7.7555 7.7555 7.8591 7.8591 8.3676 8.3676 8.4221 8.4221 8.5998 8.5998 8.6193 8.6193 8.7772 8.7772 8.8025 8.8025 9.3835 9.3835 9.4587 9.4587 9.5314 9.5314 10.1355 10.1355 10.1916 10.1916 10.2513 10.2513 10.4670 10.4670 10.7109 10.7109 11.5865 11.5865 11.8136 11.8136 11.9029 11.9029 k =-0.3571 0.2190 0.5865 ( 9122 PWs) bands (ev): -81.1258 -81.1258 -81.1191 -81.1191 -46.8097 -46.8097 -46.7937 -46.7937 -45.0811 -45.0811 -45.0764 -45.0764 -45.0701 -45.0701 -45.0372 -45.0372 6.7124 6.7124 7.3768 7.3768 7.5987 7.5987 7.7485 7.7485 7.8428 7.8428 8.4074 8.4074 8.4286 8.4286 8.5787 8.5787 8.6101 8.6101 8.7761 8.7761 8.7916 8.7916 9.3463 9.3463 9.4306 9.4306 9.5150 9.5150 10.1551 10.1551 10.2117 10.2117 10.2589 10.2589 10.4565 10.4565 10.6679 10.6679 11.6477 11.6477 11.8337 11.8337 11.9390 11.9390 k =-0.3714 0.2277 0.5865 ( 9126 PWs) bands (ev): -81.1258 -81.1258 -81.1192 -81.1192 -46.8098 -46.8098 -46.7937 -46.7937 -45.0812 -45.0812 -45.0764 -45.0764 -45.0701 -45.0701 -45.0372 -45.0372 6.7643 6.7643 7.4009 7.4009 7.6098 7.6098 7.7375 7.7375 7.8257 7.8257 8.4223 8.4223 8.4603 8.4603 8.5612 8.5612 8.6045 8.6045 8.7726 8.7726 8.7822 8.7822 9.3095 9.3095 9.4075 9.4075 9.4955 9.4955 10.1735 10.1735 10.2304 10.2304 10.2652 10.2652 10.4481 10.4481 10.6258 10.6258 11.7090 11.7090 11.8525 11.8525 11.9736 11.9736 k =-0.3857 0.2365 0.5865 ( 9130 PWs) bands (ev): -81.1259 -81.1259 -81.1192 -81.1192 -46.8098 -46.8098 -46.7937 -46.7937 -45.0812 -45.0812 -45.0764 -45.0764 -45.0701 -45.0701 -45.0372 -45.0372 6.8160 6.8160 7.4232 7.4232 7.6208 7.6208 7.7222 7.7222 7.8077 7.8077 8.4301 8.4301 8.4971 8.4971 8.5501 8.5501 8.6030 8.6030 8.7610 8.7610 8.7793 8.7793 9.2750 9.2750 9.3878 9.3878 9.4736 9.4736 10.1905 10.1905 10.2471 10.2471 10.2708 10.2708 10.4418 10.4418 10.5852 10.5852 11.7693 11.7693 11.8703 11.8703 12.0058 12.0058 k =-0.4000 0.2452 0.5865 ( 9126 PWs) bands (ev): -81.1259 -81.1259 -81.1191 -81.1191 -46.8098 -46.8098 -46.7938 -46.7938 -45.0812 -45.0812 -45.0764 -45.0764 -45.0701 -45.0701 -45.0372 -45.0372 6.8670 6.8670 7.4439 7.4439 7.6308 7.6308 7.7032 7.7032 7.7897 7.7897 8.4397 8.4397 8.5192 8.5192 8.5502 8.5502 8.6104 8.6104 8.7456 8.7456 8.7795 8.7795 9.2442 9.2442 9.3707 9.3707 9.4495 9.4495 10.2055 10.2055 10.2609 10.2609 10.2763 10.2763 10.4374 10.4374 10.5475 10.5475 11.8277 11.8277 11.8877 11.8877 12.0348 12.0348 k =-0.4143 0.2540 0.5865 ( 9128 PWs) bands (ev): -81.1260 -81.1260 -81.1190 -81.1190 -46.8098 -46.8098 -46.7938 -46.7938 -45.0812 -45.0812 -45.0765 -45.0765 -45.0701 -45.0701 -45.0373 -45.0373 6.9167 6.9167 7.4636 7.4636 7.6381 7.6381 7.6808 7.6808 7.7727 7.7727 8.4513 8.4513 8.5222 8.5222 8.5576 8.5576 8.6330 8.6330 8.7284 8.7284 8.7803 8.7803 9.2174 9.2174 9.3554 9.3554 9.4239 9.4239 10.2178 10.2178 10.2703 10.2703 10.2826 10.2826 10.4346 10.4346 10.5135 10.5135 11.8797 11.8797 11.9084 11.9084 12.0596 12.0596 k =-0.4286 0.2628 0.5865 ( 9138 PWs) bands (ev): -81.1262 -81.1262 -81.1191 -81.1191 -46.8098 -46.8098 -46.7938 -46.7938 -45.0812 -45.0812 -45.0765 -45.0765 -45.0701 -45.0701 -45.0373 -45.0373 6.9639 6.9639 7.4828 7.4828 7.6410 7.6410 7.6567 7.6567 7.7578 7.7578 8.4647 8.4647 8.5212 8.5212 8.5595 8.5595 8.6655 8.6655 8.7097 8.7097 8.7810 8.7810 9.1950 9.1950 9.3424 9.3424 9.3980 9.3980 10.2279 10.2279 10.2755 10.2755 10.2897 10.2897 10.4330 10.4330 10.4845 10.4845 11.9072 11.9072 11.9484 11.9484 12.0799 12.0799 k =-0.4429 0.2715 0.5865 ( 9154 PWs) bands (ev): -81.1263 -81.1263 -81.1194 -81.1194 -46.8099 -46.8099 -46.7939 -46.7939 -45.0813 -45.0813 -45.0765 -45.0765 -45.0702 -45.0702 -45.0373 -45.0373 7.0075 7.0075 7.5016 7.5016 7.6287 7.6287 7.6413 7.6413 7.7466 7.7466 8.4793 8.4793 8.5206 8.5206 8.5586 8.5586 8.6889 8.6889 8.7005 8.7005 8.7813 8.7813 9.1769 9.1769 9.3316 9.3316 9.3731 9.3731 10.2357 10.2357 10.2791 10.2791 10.2951 10.2951 10.4323 10.4323 10.4614 10.4614 11.9203 11.9203 11.9966 11.9966 12.0956 12.0956 k =-0.4571 0.2803 0.5865 ( 9162 PWs) bands (ev): -81.1262 -81.1262 -81.1196 -81.1196 -46.8100 -46.8100 -46.7939 -46.7939 -45.0813 -45.0813 -45.0766 -45.0766 -45.0703 -45.0703 -45.0374 -45.0374 7.0458 7.0458 7.5204 7.5204 7.6050 7.6050 7.6327 7.6327 7.7398 7.7398 8.4946 8.4946 8.5217 8.5217 8.5572 8.5572 8.6704 8.6704 8.7306 8.7306 8.7810 8.7810 9.1630 9.1630 9.3228 9.3228 9.3508 9.3508 10.2411 10.2411 10.2821 10.2821 10.2977 10.2977 10.4321 10.4321 10.4447 10.4447 11.9292 11.9292 12.0412 12.0412 12.1071 12.1071 k =-0.4714 0.2890 0.5865 ( 9166 PWs) bands (ev): -81.1262 -81.1262 -81.1197 -81.1197 -46.8100 -46.8100 -46.7939 -46.7939 -45.0814 -45.0814 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.0764 7.0764 7.5389 7.5389 7.5844 7.5844 7.6201 7.6201 7.7368 7.7368 8.5086 8.5086 8.5237 8.5237 8.5555 8.5555 8.6531 8.6531 8.7552 8.7552 8.7816 8.7816 9.1530 9.1530 9.3156 9.3156 9.3334 9.3334 10.2443 10.2443 10.2843 10.2843 10.2982 10.2982 10.4318 10.4318 10.4345 10.4345 11.9356 11.9356 12.0791 12.0791 12.1153 12.1153 k =-0.4857 0.2978 0.5865 ( 9170 PWs) bands (ev): -81.1262 -81.1262 -81.1198 -81.1198 -46.8100 -46.8100 -46.7939 -46.7939 -45.0814 -45.0814 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.0966 7.0966 7.5557 7.5557 7.5704 7.5704 7.6058 7.6058 7.7356 7.7356 8.5173 8.5173 8.5269 8.5269 8.5550 8.5550 8.6404 8.6404 8.7707 8.7707 8.7821 8.7821 9.1469 9.1469 9.3097 9.3097 9.3233 9.3233 10.2458 10.2458 10.2855 10.2855 10.2978 10.2978 10.4281 10.4281 10.4326 10.4326 11.9393 11.9393 12.1056 12.1056 12.1225 12.1225 k =-0.5000 0.3066 0.5865 ( 9162 PWs) bands (ev): -81.1265 -81.1265 -81.1193 -81.1193 -46.8099 -46.8099 -46.7940 -46.7940 -45.0813 -45.0813 -45.0766 -45.0766 -45.0702 -45.0702 -45.0374 -45.0374 7.1034 7.1034 7.5632 7.5632 7.5670 7.5670 7.5974 7.5974 7.7349 7.7349 8.5199 8.5199 8.5299 8.5299 8.5556 8.5556 8.6348 8.6348 8.7765 8.7765 8.7839 8.7839 9.1448 9.1448 9.3071 9.3071 9.3202 9.3202 10.2460 10.2460 10.2858 10.2858 10.2975 10.2975 10.4262 10.4262 10.4326 10.4326 11.9417 11.9417 12.1135 12.1135 12.1298 12.1298 k =-0.5000 0.3066 0.5865 ( 9162 PWs) bands (ev): -81.1265 -81.1265 -81.1193 -81.1193 -46.8099 -46.8099 -46.7940 -46.7940 -45.0813 -45.0813 -45.0766 -45.0766 -45.0702 -45.0702 -45.0374 -45.0374 7.1034 7.1034 7.5632 7.5632 7.5670 7.5670 7.5974 7.5974 7.7349 7.7349 8.5199 8.5199 8.5299 8.5299 8.5556 8.5556 8.6348 8.6348 8.7765 8.7765 8.7839 8.7839 9.1448 9.1448 9.3071 9.3071 9.3202 9.3202 10.2460 10.2460 10.2858 10.2858 10.2975 10.2975 10.4262 10.4262 10.4326 10.4326 11.9417 11.9417 12.1135 12.1135 12.1298 12.1298 k =-0.4900 0.3004 0.5748 ( 9164 PWs) bands (ev): -81.1263 -81.1263 -81.1196 -81.1196 -46.8100 -46.8100 -46.7939 -46.7939 -45.0814 -45.0814 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.0966 7.0966 7.5576 7.5576 7.5681 7.5681 7.6061 7.6061 7.7354 7.7354 8.5179 8.5179 8.5268 8.5268 8.5550 8.5550 8.6404 8.6404 8.7711 8.7711 8.7829 8.7829 9.1468 9.1468 9.3097 9.3097 9.3232 9.3232 10.2458 10.2458 10.2856 10.2856 10.2978 10.2978 10.4280 10.4280 10.4326 10.4326 11.9399 11.9399 12.1053 12.1053 12.1235 12.1235 k =-0.4800 0.2943 0.5630 ( 9164 PWs) bands (ev): -81.1262 -81.1262 -81.1197 -81.1197 -46.8100 -46.8100 -46.7939 -46.7939 -45.0814 -45.0814 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.0765 7.0765 7.5452 7.5452 7.5754 7.5754 7.6234 7.6234 7.7363 7.7363 8.5130 8.5130 8.5189 8.5189 8.5555 8.5555 8.6540 8.6540 8.7549 8.7549 8.7824 8.7824 9.1526 9.1526 9.3158 9.3158 9.3329 9.3329 10.2444 10.2444 10.2843 10.2843 10.2987 10.2987 10.4317 10.4317 10.4339 10.4339 11.9356 11.9356 12.0779 12.0779 12.1197 12.1197 k =-0.4700 0.2882 0.5513 ( 9168 PWs) bands (ev): -81.1263 -81.1263 -81.1197 -81.1197 -46.8100 -46.8100 -46.7939 -46.7939 -45.0814 -45.0814 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.0447 7.0447 7.5327 7.5327 7.5857 7.5857 7.6434 7.6434 7.7381 7.7381 8.5052 8.5052 8.5092 8.5092 8.5567 8.5567 8.6730 8.6730 8.7299 8.7299 8.7823 8.7823 9.1611 9.1611 9.3233 9.3233 9.3494 9.3494 10.2415 10.2415 10.2819 10.2819 10.3004 10.3004 10.4323 10.4323 10.4417 10.4417 11.9292 11.9292 12.0408 12.0408 12.1161 12.1161 k =-0.4600 0.2820 0.5396 ( 9156 PWs) bands (ev): -81.1264 -81.1264 -81.1193 -81.1193 -46.8099 -46.8099 -46.7939 -46.7939 -45.0813 -45.0813 -45.0766 -45.0766 -45.0702 -45.0702 -45.0374 -45.0374 7.0031 7.0031 7.5218 7.5218 7.5965 7.5965 7.6647 7.6647 7.7414 7.7414 8.4931 8.4931 8.5032 8.5032 8.5594 8.5594 8.6916 8.6916 8.7022 8.7022 8.7825 8.7825 9.1719 9.1719 9.3326 9.3326 9.3711 9.3711 10.2370 10.2370 10.2787 10.2787 10.3029 10.3029 10.4329 10.4329 10.4531 10.4531 11.9208 11.9208 11.9988 11.9988 12.1094 12.1094 k =-0.4500 0.2759 0.5278 ( 9152 PWs) bands (ev): -81.1264 -81.1264 -81.1192 -81.1192 -46.8098 -46.8098 -46.7939 -46.7939 -45.0813 -45.0813 -45.0766 -45.0766 -45.0702 -45.0702 -45.0374 -45.0374 6.9535 6.9535 7.5127 7.5127 7.6054 7.6054 7.6867 7.6867 7.7468 7.7468 8.4786 8.4786 8.5003 8.5003 8.5619 8.5619 8.6589 8.6589 8.7229 8.7229 8.7823 8.7823 9.1841 9.1841 9.3441 9.3441 9.3958 9.3958 10.2306 10.2306 10.2745 10.2745 10.3065 10.3065 10.4343 10.4343 10.4676 10.4676 11.9083 11.9083 11.9543 11.9543 12.0968 12.0968 k =-0.4400 0.2698 0.5161 ( 9133 PWs) bands (ev): -81.1261 -81.1261 -81.1191 -81.1191 -46.8098 -46.8098 -46.7938 -46.7938 -45.0812 -45.0812 -45.0765 -45.0765 -45.0701 -45.0701 -45.0373 -45.0373 6.8975 6.8975 7.5056 7.5056 7.6109 7.6109 7.7088 7.7088 7.7548 7.7548 8.4639 8.4639 8.5009 8.5009 8.5648 8.5648 8.6176 8.6176 8.7502 8.7502 8.7825 8.7825 9.1973 9.1973 9.3582 9.3582 9.4221 9.4221 10.2230 10.2230 10.2695 10.2695 10.3113 10.3113 10.4370 10.4370 10.4851 10.4851 11.8873 11.8873 11.9144 11.9144 12.0763 12.0763 k =-0.4300 0.2636 0.5044 ( 9119 PWs) bands (ev): -81.1257 -81.1257 -81.1191 -81.1191 -46.8098 -46.8098 -46.7937 -46.7937 -45.0812 -45.0812 -45.0763 -45.0763 -45.0701 -45.0701 -45.0372 -45.0372 6.8357 6.8357 7.5004 7.5004 7.6122 7.6122 7.7307 7.7307 7.7649 7.7649 8.4496 8.4496 8.5046 8.5046 8.5660 8.5660 8.5763 8.5763 8.7741 8.7741 8.7871 8.7871 9.2106 9.2106 9.3744 9.3744 9.4487 9.4487 10.2133 10.2133 10.2631 10.2631 10.3176 10.3176 10.4414 10.4414 10.5049 10.5049 11.8471 11.8471 11.8907 11.8907 12.0467 12.0467 k =-0.4200 0.2575 0.4927 ( 9123 PWs) bands (ev): -81.1258 -81.1258 -81.1191 -81.1191 -46.8098 -46.8098 -46.7937 -46.7937 -45.0812 -45.0812 -45.0764 -45.0764 -45.0701 -45.0701 -45.0372 -45.0372 6.7689 6.7689 7.4973 7.4973 7.6093 7.6093 7.7519 7.7519 7.7762 7.7762 8.4367 8.4367 8.5059 8.5059 8.5341 8.5341 8.5737 8.5737 8.7774 8.7774 8.8118 8.8118 9.2233 9.2233 9.3922 9.3922 9.4748 9.4748 10.2014 10.2014 10.2548 10.2548 10.3257 10.3257 10.4478 10.4478 10.5264 10.5264 11.7985 11.7985 11.8729 11.8729 12.0083 12.0083 k =-0.4100 0.2514 0.4809 ( 9123 PWs) bands (ev): -81.1258 -81.1258 -81.1191 -81.1191 -46.8098 -46.8098 -46.7937 -46.7937 -45.0811 -45.0811 -45.0763 -45.0763 -45.0701 -45.0701 -45.0372 -45.0372 6.6980 6.6980 7.4962 7.4962 7.6026 7.6026 7.7719 7.7719 7.7886 7.7886 8.4247 8.4247 8.4730 8.4730 8.5344 8.5344 8.5784 8.5784 8.7763 8.7763 8.8413 8.8413 9.2355 9.2355 9.4121 9.4121 9.4998 9.4998 10.1879 10.1879 10.2446 10.2446 10.3358 10.3358 10.4564 10.4564 10.5496 10.5496 11.7490 11.7490 11.8552 11.8552 11.9628 11.9628 k =-0.4000 0.2452 0.4692 ( 9135 PWs) bands (ev): -81.1259 -81.1259 -81.1193 -81.1193 -46.8098 -46.8098 -46.7937 -46.7937 -45.0812 -45.0812 -45.0764 -45.0764 -45.0701 -45.0701 -45.0372 -45.0372 6.6233 6.6233 7.4970 7.4970 7.5927 7.5927 7.7900 7.7900 7.8017 7.8017 8.4069 8.4069 8.4345 8.4345 8.5515 8.5515 8.5843 8.5843 8.7737 8.7737 8.8711 8.8711 9.2469 9.2469 9.4338 9.4338 9.5234 9.5234 10.1732 10.1732 10.2326 10.2326 10.3481 10.3481 10.4673 10.4673 10.5739 10.5739 11.6996 11.6996 11.8363 11.8363 11.9121 11.9121 k =-0.3900 0.2391 0.4575 ( 9135 PWs) bands (ev): -81.1257 -81.1257 -81.1195 -81.1195 -46.8098 -46.8098 -46.7936 -46.7936 -45.0812 -45.0812 -45.0763 -45.0763 -45.0702 -45.0702 -45.0372 -45.0372 6.5457 6.5457 7.4997 7.4997 7.5802 7.5802 7.8060 7.8060 7.8160 7.8160 8.3664 8.3664 8.4200 8.4200 8.5720 8.5720 8.5938 8.5938 8.7705 8.7705 8.9015 8.9015 9.2576 9.2576 9.4573 9.4573 9.5456 9.5456 10.1578 10.1578 10.2189 10.2189 10.3630 10.3630 10.4802 10.4802 10.5989 10.5989 11.6514 11.6514 11.8155 11.8155 11.8594 11.8594 k =-0.3800 0.2330 0.4457 ( 9127 PWs) bands (ev): -81.1257 -81.1257 -81.1193 -81.1193 -46.8098 -46.8098 -46.7936 -46.7936 -45.0811 -45.0811 -45.0762 -45.0762 -45.0701 -45.0701 -45.0372 -45.0372 6.4653 6.4653 7.5043 7.5043 7.5657 7.5657 7.8194 7.8194 7.8305 7.8305 8.3176 8.3176 8.4158 8.4158 8.5868 8.5868 8.6164 8.6164 8.7672 8.7672 8.9320 8.9320 9.2675 9.2675 9.4823 9.4823 9.5664 9.5664 10.1418 10.1418 10.2035 10.2035 10.3804 10.3804 10.4950 10.4950 10.6238 10.6238 11.6038 11.6038 11.7860 11.7860 11.8137 11.8137 k =-0.3700 0.2268 0.4340 ( 9105 PWs) bands (ev): -81.1253 -81.1253 -81.1192 -81.1192 -46.8097 -46.8097 -46.7935 -46.7935 -45.0810 -45.0810 -45.0761 -45.0761 -45.0701 -45.0701 -45.0370 -45.0370 6.3826 6.3826 7.5099 7.5099 7.5502 7.5502 7.8315 7.8315 7.8449 7.8449 8.2676 8.2676 8.4152 8.4152 8.5951 8.5951 8.6509 8.6509 8.7629 8.7629 8.9627 8.9627 9.2772 9.2772 9.5090 9.5090 9.5866 9.5866 10.1260 10.1260 10.1876 10.1876 10.4007 10.4007 10.5115 10.5115 10.6484 10.6484 11.5576 11.5576 11.7360 11.7360 11.7872 11.7872 k =-0.3600 0.2207 0.4223 ( 9103 PWs) bands (ev): -81.1253 -81.1253 -81.1191 -81.1191 -46.8097 -46.8097 -46.7935 -46.7935 -45.0810 -45.0810 -45.0761 -45.0761 -45.0701 -45.0701 -45.0370 -45.0370 6.2980 6.2980 7.5133 7.5133 7.5369 7.5369 7.8429 7.8429 7.8586 7.8586 8.2174 8.2174 8.4164 8.4164 8.6020 8.6020 8.6915 8.6915 8.7579 8.7579 8.9933 8.9933 9.2858 9.2858 9.5360 9.5360 9.6048 9.6048 10.1099 10.1099 10.1695 10.1695 10.4238 10.4238 10.5292 10.5292 10.6721 10.6721 11.5125 11.5125 11.6801 11.6801 11.7665 11.7665 k =-0.3500 0.2146 0.4105 ( 9103 PWs) bands (ev): -81.1253 -81.1253 -81.1192 -81.1192 -46.8096 -46.8096 -46.7934 -46.7934 -45.0810 -45.0810 -45.0761 -45.0761 -45.0700 -45.0700 -45.0370 -45.0370 6.2119 6.2119 7.5036 7.5036 7.5369 7.5369 7.8540 7.8540 7.8714 7.8714 8.1674 8.1674 8.4191 8.4191 8.6082 8.6082 8.7330 8.7330 8.7562 8.7562 9.0238 9.0238 9.2939 9.2939 9.5635 9.5635 9.6224 9.6224 10.0948 10.0948 10.1504 10.1504 10.4497 10.4497 10.5480 10.5480 10.6946 10.6946 11.4686 11.4686 11.6239 11.6239 11.7468 11.7468 k =-0.3400 0.2085 0.3988 ( 9103 PWs) bands (ev): -81.1252 -81.1252 -81.1193 -81.1193 -46.8096 -46.8096 -46.7934 -46.7934 -45.0810 -45.0810 -45.0760 -45.0760 -45.0700 -45.0700 -45.0370 -45.0370 6.1246 6.1246 7.4853 7.4853 7.5462 7.5462 7.8654 7.8654 7.8837 7.8837 8.1178 8.1178 8.4226 8.4226 8.6143 8.6143 8.7409 8.7409 8.7913 8.7913 9.0550 9.0550 9.3019 9.3019 9.5902 9.5902 9.6397 9.6397 10.0809 10.0809 10.1304 10.1304 10.4784 10.4784 10.5674 10.5674 10.7156 10.7156 11.4265 11.4265 11.5689 11.5689 11.7271 11.7271 k =-0.3300 0.2023 0.3871 ( 9099 PWs) bands (ev): -81.1251 -81.1251 -81.1193 -81.1193 -46.8096 -46.8096 -46.7933 -46.7933 -45.0809 -45.0809 -45.0760 -45.0760 -45.0700 -45.0700 -45.0369 -45.0369 6.0366 6.0366 7.4650 7.4650 7.5582 7.5582 7.8773 7.8773 7.8955 7.8955 8.0691 8.0691 8.4266 8.4266 8.6199 8.6199 8.7345 8.7345 8.8434 8.8434 9.0868 9.0868 9.3103 9.3103 9.6152 9.6152 9.6574 9.6574 10.0690 10.0690 10.1100 10.1100 10.5096 10.5096 10.5873 10.5873 10.7347 10.7347 11.3858 11.3858 11.5156 11.5156 11.7080 11.7080 k =-0.3200 0.1962 0.3754 ( 9111 PWs) bands (ev): -81.1251 -81.1251 -81.1196 -81.1196 -46.8097 -46.8097 -46.7933 -46.7933 -45.0809 -45.0809 -45.0759 -45.0759 -45.0701 -45.0701 -45.0369 -45.0369 5.9482 5.9482 7.4439 7.4439 7.5718 7.5718 7.8897 7.8897 7.9067 7.9067 8.0215 8.0215 8.4302 8.4302 8.6239 8.6239 8.7265 8.7265 8.8985 8.8985 9.1204 9.1204 9.3182 9.3182 9.6370 9.6370 9.6757 9.6757 10.0598 10.0598 10.0893 10.0893 10.5431 10.5431 10.6075 10.6075 10.7516 10.7516 11.3467 11.3467 11.4647 11.4647 11.6883 11.6883 k =-0.3100 0.1901 0.3636 ( 9107 PWs) bands (ev): -81.1252 -81.1252 -81.1194 -81.1194 -46.8096 -46.8096 -46.7933 -46.7933 -45.0809 -45.0809 -45.0759 -45.0759 -45.0700 -45.0700 -45.0369 -45.0369 5.8597 5.8597 7.4227 7.4227 7.5866 7.5866 7.9027 7.9027 7.9164 7.9164 7.9769 7.9769 8.4336 8.4336 8.6275 8.6275 8.7194 8.7194 8.9549 8.9549 9.1568 9.1568 9.3263 9.3263 9.6550 9.6550 9.6940 9.6940 10.0530 10.0530 10.0701 10.0701 10.5785 10.5785 10.6278 10.6278 10.7659 10.7659 11.3092 11.3092 11.4165 11.4165 11.6693 11.6693 k =-0.3000 0.1839 0.3519 ( 9117 PWs) bands (ev): -81.1253 -81.1253 -81.1195 -81.1195 -46.8096 -46.8096 -46.7933 -46.7933 -45.0809 -45.0809 -45.0759 -45.0759 -45.0700 -45.0700 -45.0369 -45.0369 5.7714 5.7714 7.4016 7.4016 7.6019 7.6019 7.9105 7.9105 7.9171 7.9171 7.9487 7.9487 8.4360 8.4360 8.6280 8.6280 8.7132 8.7132 9.0103 9.0103 9.1968 9.1968 9.3340 9.3340 9.6700 9.6700 9.7111 9.7111 10.0404 10.0404 10.0627 10.0627 10.6149 10.6149 10.6484 10.6484 10.7775 10.7775 11.2738 11.2738 11.3716 11.3716 11.6500 11.6500 k =-0.2900 0.1778 0.3402 ( 9121 PWs) bands (ev): -81.1253 -81.1253 -81.1196 -81.1196 -46.8096 -46.8096 -46.7933 -46.7933 -45.0808 -45.0808 -45.0758 -45.0758 -45.0700 -45.0700 -45.0369 -45.0369 5.6836 5.6836 7.3811 7.3811 7.6178 7.6178 7.8741 7.8741 7.9312 7.9312 7.9539 7.9539 8.4374 8.4374 8.6249 8.6249 8.7094 8.7094 9.0633 9.0633 9.2426 9.2426 9.3428 9.3428 9.6823 9.6823 9.7258 9.7258 10.0204 10.0204 10.0696 10.0696 10.6505 10.6505 10.6701 10.6701 10.7860 10.7860 11.2403 11.2403 11.3306 11.3306 11.6305 11.6305 k =-0.2800 0.1717 0.3284 ( 9121 PWs) bands (ev): -81.1253 -81.1253 -81.1196 -81.1196 -46.8096 -46.8096 -46.7932 -46.7932 -45.0808 -45.0808 -45.0758 -45.0758 -45.0700 -45.0700 -45.0369 -45.0369 5.5965 5.5965 7.3613 7.3613 7.6338 7.6338 7.8313 7.8313 7.9461 7.9461 7.9673 7.9673 8.4377 8.4377 8.6183 8.6183 8.7088 8.7088 9.1124 9.1124 9.2950 9.2950 9.3519 9.3519 9.6914 9.6914 9.7376 9.7376 9.9994 9.9994 10.0853 10.0853 10.6794 10.6794 10.6980 10.6980 10.7914 10.7914 11.2089 11.2089 11.2941 11.2941 11.6109 11.6109 k =-0.2700 0.1655 0.3167 ( 9109 PWs) bands (ev): -81.1251 -81.1251 -81.1195 -81.1195 -46.8095 -46.8095 -46.7932 -46.7932 -45.0807 -45.0807 -45.0757 -45.0757 -45.0699 -45.0699 -45.0368 -45.0368 5.5105 5.5105 7.3425 7.3425 7.6498 7.6498 7.7888 7.7888 7.9619 7.9619 7.9834 7.9834 8.4366 8.4366 8.6080 8.6080 8.7110 8.7110 9.1575 9.1575 9.3536 9.3536 9.3624 9.3624 9.6965 9.6965 9.7479 9.7479 9.9791 9.9791 10.1086 10.1086 10.7006 10.7006 10.7314 10.7314 10.7944 10.7944 11.1800 11.1800 11.2632 11.2632 11.5915 11.5915 k =-0.2600 0.1594 0.3050 ( 9109 PWs) bands (ev): -81.1251 -81.1251 -81.1195 -81.1195 -46.8095 -46.8095 -46.7931 -46.7931 -45.0807 -45.0807 -45.0756 -45.0756 -45.0699 -45.0699 -45.0368 -45.0368 5.4258 5.4258 7.3248 7.3248 7.6649 7.6649 7.7477 7.7477 7.9780 7.9780 8.0008 8.0008 8.4341 8.4341 8.5949 8.5949 8.7151 8.7151 9.1991 9.1991 9.3710 9.3710 9.4200 9.4200 9.6961 9.6961 9.7570 9.7570 9.9597 9.9597 10.1383 10.1383 10.7192 10.7192 10.7599 10.7599 10.7981 10.7981 11.1529 11.1529 11.2389 11.2389 11.5719 11.5719 k =-0.2500 0.1533 0.2932 ( 9109 PWs) bands (ev): -81.1250 -81.1250 -81.1196 -81.1196 -46.8095 -46.8095 -46.7931 -46.7931 -45.0807 -45.0807 -45.0756 -45.0756 -45.0699 -45.0699 -45.0367 -45.0367 5.3426 5.3426 7.3083 7.3083 7.6761 7.6761 7.7109 7.7109 7.9948 7.9948 8.0195 8.0195 8.4307 8.4307 8.5797 8.5797 8.7203 8.7203 9.2384 9.2384 9.3812 9.3812 9.4891 9.4891 9.6912 9.6912 9.7653 9.7653 9.9425 9.9425 10.1732 10.1732 10.7367 10.7367 10.7684 10.7684 10.8147 10.8147 11.1285 11.1285 11.2227 11.2227 11.5519 11.5519 k =-0.2400 0.1471 0.2815 ( 9125 PWs) bands (ev): -81.1252 -81.1252 -81.1198 -81.1198 -46.8095 -46.8095 -46.7931 -46.7931 -45.0807 -45.0807 -45.0756 -45.0756 -45.0699 -45.0699 -45.0368 -45.0368 5.2611 5.2611 7.2932 7.2932 7.6594 7.6594 7.7023 7.7023 8.0120 8.0120 8.0384 8.0384 8.4264 8.4264 8.5630 8.5630 8.7265 8.7265 9.2765 9.2765 9.3914 9.3914 9.5611 9.5611 9.6820 9.6820 9.7712 9.7712 9.9287 9.9287 10.2121 10.2121 10.7528 10.7528 10.7604 10.7604 10.8387 10.8387 11.1062 11.1062 11.2156 11.2156 11.5318 11.5318 k =-0.2300 0.1410 0.2698 ( 9117 PWs) bands (ev): -81.1250 -81.1250 -81.1198 -81.1198 -46.8095 -46.8095 -46.7930 -46.7930 -45.0806 -45.0806 -45.0755 -45.0755 -45.0699 -45.0699 -45.0367 -45.0367 5.1816 5.1816 7.2797 7.2797 7.6235 7.6235 7.7132 7.7132 8.0304 8.0304 8.0580 8.0580 8.4219 8.4219 8.5458 8.5458 8.7337 8.7337 9.3142 9.3142 9.4021 9.4021 9.6342 9.6342 9.6723 9.6723 9.7738 9.7738 9.9202 9.9202 10.2541 10.2541 10.7444 10.7444 10.7696 10.7696 10.8598 10.8598 11.0871 11.0871 11.2186 11.2186 11.5119 11.5119 k =-0.2200 0.1349 0.2581 ( 9121 PWs) bands (ev): -81.1251 -81.1251 -81.1198 -81.1198 -46.8094 -46.8094 -46.7930 -46.7930 -45.0806 -45.0806 -45.0755 -45.0755 -45.0699 -45.0699 -45.0367 -45.0367 5.1042 5.1042 7.2677 7.2677 7.5869 7.5869 7.7254 7.7254 8.0492 8.0492 8.0768 8.0768 8.4179 8.4179 8.5283 8.5283 8.7403 8.7403 9.3516 9.3516 9.4126 9.4126 9.6579 9.6579 9.7106 9.7106 9.7706 9.7706 9.9185 9.9185 10.2982 10.2982 10.7240 10.7240 10.7846 10.7846 10.8752 10.8752 11.0708 11.0708 11.2314 11.2314 11.4916 11.4916 k =-0.2100 0.1288 0.2463 ( 9113 PWs) bands (ev): -81.1250 -81.1250 -81.1197 -81.1197 -46.8094 -46.8094 -46.7930 -46.7930 -45.0805 -45.0805 -45.0754 -45.0754 -45.0698 -45.0698 -45.0366 -45.0366 5.0292 5.0292 7.2576 7.2576 7.5512 7.5512 7.7371 7.7371 8.0686 8.0686 8.0947 8.0947 8.4153 8.4153 8.5108 8.5108 8.7474 8.7474 9.3886 9.3886 9.4242 9.4242 9.6447 9.6447 9.7587 9.7587 9.7879 9.7879 9.9235 9.9235 10.3438 10.3438 10.6996 10.6996 10.7991 10.7991 10.8858 10.8858 11.0574 11.0574 11.2529 11.2529 11.4716 11.4716 k =-0.2000 0.1226 0.2346 ( 9113 PWs) bands (ev): -81.1251 -81.1251 -81.1196 -81.1196 -46.8093 -46.8093 -46.7930 -46.7930 -45.0805 -45.0805 -45.0754 -45.0754 -45.0697 -45.0697 -45.0366 -45.0366 4.9565 4.9565 7.2491 7.2491 7.5168 7.5168 7.7475 7.7475 8.0868 8.0868 8.1112 8.1112 8.4153 8.4153 8.4936 8.4936 8.7547 8.7547 9.4191 9.4191 9.4416 9.4416 9.6308 9.6308 9.7458 9.7458 9.8612 9.8612 9.9341 9.9341 10.3903 10.3903 10.6716 10.6716 10.8130 10.8130 10.8924 10.8924 11.0462 11.0462 11.2809 11.2809 11.4518 11.4518 k =-0.1900 0.1165 0.2229 ( 9109 PWs) bands (ev): -81.1250 -81.1250 -81.1196 -81.1196 -46.8093 -46.8093 -46.7929 -46.7929 -45.0805 -45.0805 -45.0753 -45.0753 -45.0697 -45.0697 -45.0366 -45.0366 4.8866 4.8866 7.2424 7.2424 7.4836 7.4836 7.7567 7.7567 8.1015 8.1015 8.1276 8.1276 8.4190 8.4190 8.4771 8.4771 8.7617 8.7617 9.4343 9.4343 9.4742 9.4742 9.6180 9.6180 9.7290 9.7290 9.9333 9.9333 9.9498 9.9498 10.4373 10.4373 10.6408 10.6408 10.8261 10.8261 10.8973 10.8973 11.0371 11.0371 11.3131 11.3131 11.4320 11.4320 k =-0.1800 0.1104 0.2111 ( 9113 PWs) bands (ev): -81.1251 -81.1251 -81.1196 -81.1196 -46.8092 -46.8092 -46.7929 -46.7929 -45.0804 -45.0804 -45.0753 -45.0753 -45.0697 -45.0697 -45.0366 -45.0366 4.8194 4.8194 7.2376 7.2376 7.4519 7.4519 7.7649 7.7649 8.1088 8.1088 8.1465 8.1465 8.4264 8.4264 8.4623 8.4623 8.7685 8.7685 9.4434 9.4434 9.5116 9.5116 9.6046 9.6046 9.7106 9.7106 9.9635 9.9635 10.0085 10.0085 10.4841 10.4841 10.6072 10.6072 10.8387 10.8387 10.9023 10.9023 11.0296 11.0296 11.3468 11.3468 11.4131 11.4131 k =-0.1700 0.1042 0.1994 ( 9103 PWs) bands (ev): -81.1250 -81.1250 -81.1194 -81.1194 -46.8092 -46.8092 -46.7929 -46.7929 -45.0804 -45.0804 -45.0753 -45.0753 -45.0696 -45.0696 -45.0365 -45.0365 4.7551 4.7551 7.2347 7.2347 7.4216 7.4216 7.7719 7.7719 8.1086 8.1086 8.1675 8.1675 8.4312 8.4312 8.4571 8.4571 8.7754 8.7754 9.4505 9.4505 9.5479 9.5479 9.5943 9.5943 9.6921 9.6921 9.9821 9.9821 10.0793 10.0793 10.5292 10.5292 10.5733 10.5733 10.8511 10.8511 10.9082 10.9082 11.0234 11.0234 11.3747 11.3747 11.4011 11.4011 k =-0.1600 0.0981 0.1877 ( 9107 PWs) bands (ev): -81.1251 -81.1251 -81.1194 -81.1194 -46.8091 -46.8091 -46.7929 -46.7929 -45.0803 -45.0803 -45.0753 -45.0753 -45.0695 -45.0695 -45.0365 -45.0365 4.6938 4.6938 7.2337 7.2337 7.3929 7.3929 7.7781 7.7781 8.1019 8.1019 8.1894 8.1894 8.4219 8.4219 8.4716 8.4716 8.7815 8.7815 9.4559 9.4559 9.5681 9.5681 9.5988 9.5988 9.6748 9.6748 10.0003 10.0003 10.1490 10.1490 10.5306 10.5306 10.5806 10.5806 10.8627 10.8627 10.9157 10.9157 11.0184 11.0184 11.3676 11.3676 11.4228 11.4228 k =-0.1500 0.0920 0.1759 ( 9105 PWs) bands (ev): -81.1250 -81.1250 -81.1195 -81.1195 -46.8091 -46.8091 -46.7928 -46.7928 -45.0803 -45.0803 -45.0752 -45.0752 -45.0696 -45.0696 -45.0365 -45.0365 4.6358 4.6358 7.2347 7.2347 7.3658 7.3658 7.7831 7.7831 8.0897 8.0897 8.2119 8.2119 8.4084 8.4084 8.4963 8.4963 8.7871 8.7871 9.4598 9.4598 9.5632 9.5632 9.6205 9.6205 9.6674 9.6674 10.0189 10.0189 10.2167 10.2167 10.4933 10.4933 10.6243 10.6243 10.8740 10.8740 10.9251 10.9251 11.0144 11.0144 11.3498 11.3498 11.4538 11.4538 k =-0.1400 0.0858 0.1642 ( 9097 PWs) bands (ev): -81.1249 -81.1249 -81.1194 -81.1194 -46.8091 -46.8091 -46.7928 -46.7928 -45.0803 -45.0803 -45.0751 -45.0751 -45.0695 -45.0695 -45.0364 -45.0364 4.5810 4.5810 7.2375 7.2375 7.3402 7.3402 7.7874 7.7874 8.0734 8.0734 8.2344 8.2344 8.3951 8.3951 8.5256 8.5256 8.7927 8.7927 9.4618 9.4618 9.5548 9.5548 9.6190 9.6190 9.6879 9.6879 10.0378 10.0378 10.2824 10.2824 10.4539 10.4539 10.6680 10.6680 10.8851 10.8851 10.9364 10.9364 11.0114 11.0114 11.3312 11.3312 11.4831 11.4831 k =-0.1300 0.0797 0.1525 ( 9093 PWs) bands (ev): -81.1249 -81.1249 -81.1193 -81.1193 -46.8090 -46.8090 -46.7927 -46.7927 -45.0802 -45.0802 -45.0751 -45.0751 -45.0695 -45.0695 -45.0364 -45.0364 4.5295 4.5295 7.2419 7.2419 7.3162 7.3162 7.7911 7.7911 8.0536 8.0536 8.2563 8.2563 8.3824 8.3824 8.5586 8.5586 8.7983 8.7983 9.4614 9.4614 9.5475 9.5475 9.6045 9.6045 9.7217 9.7217 10.0564 10.0564 10.3435 10.3435 10.4169 10.4169 10.7102 10.7102 10.8960 10.8960 10.9487 10.9487 11.0094 11.0094 11.3128 11.3128 11.5088 11.5088 k =-0.1200 0.0736 0.1408 ( 9093 PWs) bands (ev): -81.1248 -81.1248 -81.1194 -81.1194 -46.8090 -46.8090 -46.7927 -46.7927 -45.0802 -45.0802 -45.0751 -45.0751 -45.0695 -45.0695 -45.0364 -45.0364 4.4815 4.4815 7.2479 7.2479 7.2939 7.2939 7.7938 7.7938 8.0313 8.0313 8.2774 8.2774 8.3704 8.3704 8.5939 8.5939 8.8031 8.8031 9.4591 9.4591 9.5419 9.5419 9.5887 9.5887 9.7569 9.7569 10.0741 10.0741 10.3583 10.3583 10.4241 10.4241 10.7508 10.7508 10.9067 10.9067 10.9617 10.9617 11.0085 11.0085 11.2945 11.2945 11.5300 11.5300 k =-0.1100 0.0674 0.1290 ( 9095 PWs) bands (ev): -81.1248 -81.1248 -81.1194 -81.1194 -46.8090 -46.8090 -46.7927 -46.7927 -45.0802 -45.0802 -45.0750 -45.0750 -45.0694 -45.0694 -45.0364 -45.0364 4.4371 4.4371 7.2554 7.2554 7.2731 7.2731 7.7961 7.7961 8.0072 8.0072 8.2975 8.2975 8.3596 8.3596 8.6309 8.6309 8.8074 8.8074 9.4550 9.4550 9.5371 9.5371 9.5733 9.5733 9.7913 9.7913 10.0915 10.0915 10.3211 10.3211 10.4824 10.4824 10.7891 10.7891 10.9171 10.9171 10.9744 10.9744 11.0090 11.0090 11.2765 11.2765 11.5463 11.5463 k =-0.1000 0.0613 0.1173 ( 9101 PWs) bands (ev): -81.1248 -81.1248 -81.1195 -81.1195 -46.8090 -46.8090 -46.7927 -46.7927 -45.0802 -45.0802 -45.0750 -45.0750 -45.0694 -45.0694 -45.0363 -45.0363 4.3962 4.3962 7.2538 7.2538 7.2645 7.2645 7.7976 7.7976 7.9821 7.9821 8.3158 8.3158 8.3501 8.3501 8.6688 8.6688 8.8117 8.8117 9.4495 9.4495 9.5327 9.5327 9.5597 9.5597 9.8240 9.8240 10.1078 10.1078 10.2796 10.2796 10.5441 10.5441 10.8251 10.8251 10.9274 10.9274 10.9854 10.9854 11.0114 11.0114 11.2591 11.2591 11.5572 11.5572 k =-0.0900 0.0552 0.1056 ( 9089 PWs) bands (ev): -81.1246 -81.1246 -81.1194 -81.1194 -46.8090 -46.8090 -46.7926 -46.7926 -45.0802 -45.0802 -45.0749 -45.0749 -45.0694 -45.0694 -45.0363 -45.0363 4.3591 4.3591 7.2366 7.2366 7.2745 7.2745 7.7992 7.7992 7.9567 7.9567 8.3301 8.3301 8.3450 8.3450 8.7069 8.7069 8.8157 8.8157 9.4436 9.4436 9.5276 9.5276 9.5494 9.5494 9.8548 9.8548 10.1231 10.1231 10.2380 10.2380 10.6059 10.6059 10.8585 10.8585 10.9377 10.9377 10.9938 10.9938 11.0168 11.0168 11.2426 11.2426 11.5624 11.5624 k =-0.0800 0.0490 0.0938 ( 9081 PWs) bands (ev): -81.1244 -81.1244 -81.1194 -81.1194 -46.8090 -46.8090 -46.7925 -46.7925 -45.0802 -45.0802 -45.0749 -45.0749 -45.0694 -45.0694 -45.0362 -45.0362 4.3257 4.3257 7.2211 7.2211 7.2857 7.2857 7.8003 7.8003 7.9315 7.9315 8.3292 8.3292 8.3544 8.3544 8.7448 8.7448 8.8187 8.8187 9.4373 9.4373 9.5203 9.5203 9.5433 9.5433 9.8831 9.8831 10.1372 10.1372 10.1973 10.1973 10.6671 10.6671 10.8890 10.8890 10.9476 10.9476 10.9990 10.9990 11.0246 11.0246 11.2266 11.2266 11.5620 11.5620 k =-0.0700 0.0429 0.0821 ( 9081 PWs) bands (ev): -81.1242 -81.1242 -81.1196 -81.1196 -46.8090 -46.8090 -46.7924 -46.7924 -45.0802 -45.0802 -45.0748 -45.0748 -45.0694 -45.0694 -45.0362 -45.0362 4.2961 4.2961 7.2073 7.2073 7.2974 7.2974 7.8009 7.8009 7.9067 7.9067 8.3231 8.3231 8.3683 8.3683 8.7819 8.7819 8.8208 8.8208 9.4309 9.4309 9.5114 9.5114 9.5400 9.5400 9.9088 9.9088 10.1483 10.1483 10.1597 10.1597 10.7270 10.7270 10.9164 10.9164 10.9572 10.9572 11.0024 11.0024 11.0330 11.0330 11.2112 11.2112 11.5562 11.5562 k =-0.0600 0.0368 0.0704 ( 9083 PWs) bands (ev): -81.1241 -81.1241 -81.1197 -81.1197 -46.8090 -46.8090 -46.7924 -46.7924 -45.0802 -45.0802 -45.0748 -45.0748 -45.0694 -45.0694 -45.0361 -45.0361 4.2704 4.2704 7.1953 7.1953 7.3093 7.3093 7.8011 7.8011 7.8833 7.8833 8.3172 8.3172 8.3810 8.3810 8.8164 8.8164 8.8233 8.8233 9.4246 9.4246 9.5027 9.5027 9.5382 9.5382 9.9316 9.9316 10.1204 10.1204 10.1619 10.1619 10.7849 10.7849 10.9403 10.9403 10.9665 10.9665 11.0052 11.0052 11.0407 11.0407 11.1971 11.1971 11.5455 11.5455 k =-0.0500 0.0307 0.0586 ( 9075 PWs) bands (ev): -81.1239 -81.1239 -81.1197 -81.1197 -46.8090 -46.8090 -46.7923 -46.7923 -45.0802 -45.0802 -45.0747 -45.0747 -45.0694 -45.0694 -45.0361 -45.0361 4.2485 4.2485 7.1852 7.1852 7.3209 7.3209 7.8012 7.8012 7.8619 7.8619 8.3123 8.3123 8.3926 8.3926 8.8251 8.8251 8.8484 8.8484 9.4192 9.4192 9.4954 9.4954 9.5371 9.5371 9.9514 9.9514 10.0869 10.0869 10.1715 10.1715 10.8398 10.8398 10.9607 10.9607 10.9753 10.9753 11.0078 11.0078 11.0475 11.0475 11.1842 11.1842 11.5308 11.5308 k =-0.0400 0.0245 0.0469 ( 9087 PWs) bands (ev): -81.1240 -81.1240 -81.1199 -81.1199 -46.8091 -46.8091 -46.7923 -46.7923 -45.0802 -45.0802 -45.0747 -45.0747 -45.0695 -45.0695 -45.0361 -45.0361 4.2306 4.2306 7.1768 7.1768 7.3316 7.3316 7.8006 7.8006 7.8434 7.8434 8.3078 8.3078 8.4021 8.4021 8.8267 8.8267 8.8757 8.8757 9.4139 9.4139 9.4888 9.4888 9.5362 9.5362 9.9678 9.9678 10.0575 10.0575 10.1787 10.1787 10.8900 10.8900 10.9773 10.9773 10.9833 10.9833 11.0103 11.0103 11.0529 11.0529 11.1723 11.1723 11.5133 11.5133 k =-0.0300 0.0184 0.0352 ( 9081 PWs) bands (ev): -81.1239 -81.1239 -81.1199 -81.1199 -46.8090 -46.8090 -46.7923 -46.7923 -45.0802 -45.0802 -45.0746 -45.0746 -45.0695 -45.0695 -45.0361 -45.0361 4.2166 4.2166 7.1703 7.1703 7.3411 7.3411 7.7997 7.7997 7.8286 7.8286 8.3046 8.3046 8.4096 8.4096 8.8280 8.8280 8.8994 8.8994 9.4098 9.4098 9.4838 9.4838 9.5356 9.5356 9.9807 9.9807 10.0333 10.0333 10.1851 10.1851 10.9335 10.9335 10.9900 10.9900 10.9902 10.9902 11.0130 11.0130 11.0571 11.0571 11.1628 11.1628 11.4950 11.4950 k =-0.0200 0.0123 0.0235 ( 9097 PWs) bands (ev): -81.1241 -81.1241 -81.1200 -81.1200 -46.8091 -46.8091 -46.7924 -46.7924 -45.0802 -45.0802 -45.0747 -45.0747 -45.0695 -45.0695 -45.0362 -45.0362 4.2066 4.2066 7.1657 7.1657 7.3481 7.3481 7.7976 7.7976 7.8183 7.8183 8.3023 8.3023 8.4142 8.4142 8.8289 8.8289 8.9166 8.9166 9.4064 9.4064 9.4799 9.4799 9.5348 9.5348 9.9896 9.9896 10.0155 10.0155 10.1896 10.1896 10.9669 10.9669 10.9954 10.9954 10.9984 10.9984 11.0165 11.0165 11.0597 11.0597 11.1557 11.1557 11.4783 11.4783 k =-0.0100 0.0061 0.0117 ( 9087 PWs) bands (ev): -81.1241 -81.1241 -81.1198 -81.1198 -46.8090 -46.8090 -46.7924 -46.7924 -45.0801 -45.0801 -45.0747 -45.0747 -45.0694 -45.0694 -45.0362 -45.0362 4.2006 4.2006 7.1629 7.1629 7.3528 7.3528 7.7952 7.7952 7.8134 7.8134 8.3014 8.3014 8.4173 8.4173 8.8296 8.8296 8.9275 8.9275 9.4046 9.4046 9.4779 9.4779 9.5346 9.5346 9.9934 9.9934 10.0061 10.0061 10.1934 10.1934 10.9876 10.9876 10.9986 10.9986 11.0021 11.0021 11.0216 11.0216 11.0615 11.0615 11.1518 11.1518 11.4663 11.4663 k = 0.0000 0.0000 0.0000 ( 9095 PWs) bands (ev): -81.1239 -81.1239 -81.1202 -81.1202 -46.8091 -46.8091 -46.7923 -46.7923 -45.0802 -45.0802 -45.0746 -45.0746 -45.0695 -45.0695 -45.0362 -45.0362 4.1986 4.1986 7.1619 7.1619 7.3546 7.3546 7.7935 7.7935 7.8117 7.8117 8.3006 8.3006 8.4192 8.4192 8.8291 8.8291 8.9314 8.9314 9.4040 9.4040 9.4772 9.4772 9.5346 9.5346 9.9931 9.9931 10.0042 10.0042 10.1935 10.1935 10.9949 10.9949 10.9990 10.9990 11.0028 11.0028 11.0243 11.0243 11.0623 11.0623 11.1498 11.1498 11.4619 11.4619 k = 0.0000 0.0000 0.0000 ( 9095 PWs) bands (ev): -81.1239 -81.1239 -81.1202 -81.1202 -46.8091 -46.8091 -46.7923 -46.7923 -45.0802 -45.0802 -45.0746 -45.0746 -45.0695 -45.0695 -45.0362 -45.0362 4.1986 4.1986 7.1619 7.1619 7.3546 7.3546 7.7935 7.7935 7.8117 7.8117 8.3006 8.3006 8.4192 8.4192 8.8291 8.8291 8.9314 8.9314 9.4040 9.4040 9.4772 9.4772 9.5346 9.5346 9.9931 9.9931 10.0042 10.0042 10.1935 10.1935 10.9949 10.9949 10.9990 10.9990 11.0028 11.0028 11.0243 11.0243 11.0623 11.0623 11.1498 11.1498 11.4619 11.4619 k = 0.0088 0.0143-0.0000 ( 9067 PWs) bands (ev): -81.1238 -81.1238 -81.1196 -81.1196 -46.8089 -46.8089 -46.7923 -46.7923 -45.0801 -45.0801 -45.0746 -45.0746 -45.0694 -45.0694 -45.0361 -45.0361 4.2007 4.2007 7.1630 7.1630 7.3562 7.3562 7.7948 7.7948 7.8129 7.8129 8.2868 8.2868 8.4322 8.4322 8.8221 8.8221 8.9393 8.9393 9.4035 9.4035 9.4765 9.4765 9.5346 9.5346 9.9934 9.9934 10.0048 10.0048 10.1931 10.1931 10.9318 10.9318 10.9420 10.9420 11.0383 11.0383 11.0689 11.0689 11.0882 11.0882 11.1392 11.1392 11.4863 11.4863 k = 0.0175 0.0286-0.0000 ( 9075 PWs) bands (ev): -81.1240 -81.1240 -81.1196 -81.1196 -46.8089 -46.8089 -46.7924 -46.7924 -45.0800 -45.0800 -45.0746 -45.0746 -45.0694 -45.0694 -45.0363 -45.0363 4.2067 4.2067 7.1662 7.1662 7.3605 7.3605 7.7964 7.7964 7.8145 7.8145 8.2547 8.2547 8.4613 8.4613 8.8026 8.8026 8.9572 8.9572 9.4010 9.4010 9.4736 9.4736 9.5335 9.5335 9.9937 9.9937 10.0056 10.0056 10.1890 10.1890 10.8616 10.8616 10.8681 10.8681 11.0403 11.0403 11.0549 11.0549 11.1471 11.1471 11.1737 11.1737 11.5447 11.5447 k = 0.0263 0.0429-0.0000 ( 9075 PWs) bands (ev): -81.1240 -81.1240 -81.1196 -81.1196 -46.8088 -46.8088 -46.7924 -46.7924 -45.0798 -45.0798 -45.0746 -45.0746 -45.0694 -45.0694 -45.0364 -45.0364 4.2168 4.2168 7.1715 7.1715 7.3675 7.3675 7.7990 7.7990 7.8172 7.8172 8.2158 8.2158 8.4951 8.4951 8.7782 8.7782 8.9805 8.9805 9.3976 9.3976 9.4697 9.4697 9.5316 9.5316 9.9939 9.9939 10.0069 10.0069 10.1824 10.1824 10.7899 10.7899 10.7922 10.7922 10.9657 10.9657 11.0732 11.0732 11.2094 11.2094 11.2353 11.2353 11.6178 11.6178 k = 0.0350 0.0571-0.0000 ( 9083 PWs) bands (ev): -81.1239 -81.1239 -81.1199 -81.1199 -46.8088 -46.8088 -46.7925 -46.7925 -45.0796 -45.0796 -45.0746 -45.0746 -45.0695 -45.0695 -45.0367 -45.0367 4.2309 4.2309 7.1788 7.1788 7.3778 7.3778 7.8023 7.8023 7.8206 7.8206 8.1741 8.1741 8.5300 8.5300 8.7515 8.7515 9.0054 9.0054 9.3922 9.3922 9.4635 9.4635 9.5293 9.5293 9.9939 9.9939 10.0085 10.0085 10.1730 10.1730 10.7152 10.7152 10.7177 10.7177 10.8799 10.8799 11.0971 11.0971 11.2700 11.2700 11.2972 11.2972 11.6964 11.6964 k = 0.0438 0.0714-0.0000 ( 9087 PWs) bands (ev): -81.1240 -81.1240 -81.1199 -81.1199 -46.8087 -46.8087 -46.7927 -46.7927 -45.0793 -45.0793 -45.0746 -45.0746 -45.0695 -45.0695 -45.0371 -45.0371 4.2491 4.2491 7.1882 7.1882 7.3910 7.3910 7.8069 7.8069 7.8253 7.8253 8.1316 8.1316 8.5646 8.5646 8.7239 8.7239 9.0307 9.0307 9.3848 9.3848 9.4551 9.4551 9.5261 9.5261 9.9933 9.9933 10.0100 10.0100 10.1625 10.1625 10.6382 10.6382 10.6459 10.6459 10.7894 10.7894 11.1269 11.1269 11.3279 11.3279 11.3567 11.3567 11.7767 11.7767 k = 0.0526 0.0857-0.0000 ( 9083 PWs) bands (ev): -81.1241 -81.1241 -81.1197 -81.1197 -46.8085 -46.8085 -46.7929 -46.7929 -45.0789 -45.0789 -45.0745 -45.0745 -45.0696 -45.0696 -45.0375 -45.0375 4.2712 4.2712 7.2000 7.2000 7.4069 7.4069 7.8129 7.8129 7.8313 7.8313 8.0884 8.0884 8.5975 8.5975 8.6958 8.6958 9.0557 9.0557 9.3763 9.3763 9.4455 9.4455 9.5223 9.5223 9.9915 9.9915 10.0111 10.0111 10.1504 10.1504 10.5621 10.5621 10.5758 10.5758 10.6969 10.6969 11.1616 11.1616 11.3828 11.3828 11.4131 11.4131 11.8555 11.8557 k = 0.0613 0.1000-0.0000 ( 9079 PWs) bands (ev): -81.1239 -81.1239 -81.1198 -81.1198 -46.8084 -46.8084 -46.7930 -46.7930 -45.0785 -45.0785 -45.0745 -45.0745 -45.0697 -45.0697 -45.0379 -45.0379 4.2972 4.2972 7.2134 7.2134 7.4259 7.4259 7.8194 7.8194 7.8379 7.8379 8.0453 8.0453 8.6288 8.6288 8.6679 8.6679 9.0804 9.0804 9.3667 9.3667 9.4348 9.4348 9.5182 9.5182 9.9874 9.9874 10.0106 10.0106 10.1377 10.1377 10.4878 10.4878 10.5085 10.5085 10.6022 10.6022 11.2012 11.2012 11.4343 11.4343 11.4657 11.4657 11.8561 11.8561 k = 0.0701 0.1143-0.0000 ( 9087 PWs) bands (ev): -81.1239 -81.1239 -81.1200 -81.1200 -46.8082 -46.8082 -46.7932 -46.7932 -45.0781 -45.0781 -45.0744 -45.0744 -45.0698 -45.0698 -45.0384 -45.0384 4.3272 4.3272 7.2284 7.2284 7.4477 7.4477 7.8265 7.8265 7.8451 7.8451 8.0026 8.0026 8.6399 8.6399 8.6583 8.6583 9.1044 9.1044 9.3555 9.3555 9.4224 9.4224 9.5133 9.5133 9.9798 9.9798 10.0072 10.0072 10.1245 10.1245 10.4168 10.4168 10.4454 10.4454 10.5065 10.5065 11.2450 11.2450 11.4823 11.4823 11.5144 11.5144 11.8402 11.8402 k = 0.0788 0.1286-0.0000 ( 9091 PWs) bands (ev): -81.1242 -81.1242 -81.1198 -81.1198 -46.8079 -46.8079 -46.7935 -46.7935 -45.0775 -45.0775 -45.0744 -45.0744 -45.0698 -45.0698 -45.0391 -45.0391 4.3610 4.3610 7.2456 7.2456 7.4721 7.4721 7.8351 7.8351 7.8538 7.8538 7.9606 7.9606 8.6130 8.6130 8.6852 8.6852 9.1277 9.1277 9.3418 9.3418 9.4075 9.4075 9.5075 9.5075 9.9667 9.9667 9.9988 9.9988 10.1115 10.1115 10.3511 10.3511 10.3893 10.3893 10.4124 10.4124 11.2926 11.2926 11.5266 11.5266 11.5589 11.5589 11.8228 11.8228 k = 0.0876 0.1429-0.0000 ( 9091 PWs) bands (ev): -81.1240 -81.1240 -81.1201 -81.1201 -46.8078 -46.8078 -46.7937 -46.7937 -45.0769 -45.0769 -45.0744 -45.0744 -45.0699 -45.0699 -45.0396 -45.0396 4.3986 4.3986 7.2644 7.2644 7.4997 7.4997 7.8437 7.8437 7.8625 7.8625 7.9196 7.9196 8.5861 8.5861 8.7099 8.7099 9.1496 9.1496 9.3281 9.3281 9.3927 9.3927 9.5018 9.5018 9.9460 9.9460 9.9819 9.9819 10.0984 10.0984 10.2874 10.2874 10.3256 10.3256 10.3420 10.3420 11.3435 11.3435 11.5672 11.5672 11.5992 11.5992 11.8054 11.8054 k = 0.0963 0.1571-0.0000 ( 9095 PWs) bands (ev): -81.1241 -81.1241 -81.1200 -81.1200 -46.8075 -46.8075 -46.7940 -46.7940 -45.0763 -45.0763 -45.0744 -45.0744 -45.0700 -45.0700 -45.0404 -45.0404 4.4400 4.4400 7.2849 7.2849 7.5295 7.5295 7.8537 7.8537 7.8704 7.8704 7.8817 7.8817 8.5599 8.5599 8.7322 8.7322 9.1703 9.1703 9.3126 9.3126 9.3760 9.3760 9.4948 9.4948 9.9159 9.9159 9.9531 9.9531 10.0859 10.0859 10.2058 10.2058 10.2703 10.2703 10.3061 10.3061 11.3974 11.3974 11.6040 11.6040 11.6347 11.6347 11.7876 11.7876 k = 0.1051 0.1714-0.0000 ( 9083 PWs) bands (ev): -81.1241 -81.1241 -81.1197 -81.1197 -46.8071 -46.8071 -46.7943 -46.7943 -45.0755 -45.0755 -45.0743 -45.0743 -45.0700 -45.0700 -45.0412 -45.0412 4.4851 4.4851 7.3074 7.3074 7.5615 7.5615 7.8399 7.8399 7.8644 7.8644 7.8845 7.8845 8.5344 8.5344 8.7526 8.7526 9.1897 9.1897 9.2963 9.2963 9.3588 9.3588 9.4865 9.4865 9.8762 9.8762 9.9113 9.9113 10.0749 10.0749 10.1136 10.1136 10.2426 10.2426 10.2820 10.2820 11.4540 11.4540 11.6370 11.6370 11.6649 11.6649 11.7704 11.7704 k = 0.1139 0.1857-0.0000 ( 9091 PWs) bands (ev): -81.1242 -81.1242 -81.1198 -81.1198 -46.8069 -46.8069 -46.7947 -46.7947 -45.0748 -45.0748 -45.0743 -45.0743 -45.0701 -45.0701 -45.0420 -45.0420 4.5338 4.5338 7.3311 7.3311 7.5962 7.5962 7.8026 7.8026 7.8752 7.8752 7.8952 7.8952 8.5095 8.5095 8.7697 8.7697 9.2071 9.2071 9.2788 9.2788 9.3407 9.3407 9.4777 9.4777 9.8283 9.8283 9.8587 9.8587 10.0193 10.0193 10.0641 10.0641 10.2301 10.2301 10.2682 10.2682 11.5123 11.5123 11.6662 11.6662 11.6874 11.6874 11.7571 11.7571 k = 0.1226 0.2000-0.0000 ( 9075 PWs) bands (ev): -81.1242 -81.1242 -81.1195 -81.1195 -46.8064 -46.8064 -46.7950 -46.7950 -45.0742 -45.0742 -45.0738 -45.0738 -45.0702 -45.0702 -45.0429 -45.0429 4.5861 4.5861 7.3564 7.3564 7.6334 7.6334 7.7670 7.7670 7.8871 7.8871 7.9073 7.9073 8.4857 8.4857 8.7846 8.7846 9.2228 9.2228 9.2605 9.2605 9.3224 9.3224 9.4681 9.4681 9.7747 9.7747 9.7992 9.7992 9.9255 9.9255 10.0547 10.0547 10.2284 10.2284 10.2633 10.2633 11.5724 11.5724 11.6918 11.6918 11.6969 11.6969 11.7534 11.7534 k = 0.1314 0.2143-0.0000 ( 9075 PWs) bands (ev): -81.1241 -81.1241 -81.1196 -81.1196 -46.8061 -46.8061 -46.7953 -46.7953 -45.0741 -45.0741 -45.0730 -45.0730 -45.0703 -45.0703 -45.0438 -45.0438 4.6419 4.6419 7.3828 7.3828 7.6729 7.6729 7.7330 7.7330 7.8985 7.8985 7.9189 7.9189 8.4628 8.4628 8.7969 8.7969 9.2350 9.2350 9.2412 9.2412 9.3047 9.3047 9.4575 9.4575 9.7178 9.7178 9.7360 9.7360 9.8325 9.8325 10.0463 10.0463 10.2330 10.2330 10.2645 10.2645 11.6333 11.6333 11.6914 11.6914 11.7140 11.7140 11.7612 11.7612 k = 0.1401 0.2286-0.0000 ( 9075 PWs) bands (ev): -81.1237 -81.1237 -81.1199 -81.1199 -46.8059 -46.8059 -46.7956 -46.7956 -45.0740 -45.0740 -45.0722 -45.0722 -45.0705 -45.0705 -45.0447 -45.0447 4.7010 4.7010 7.4102 7.4102 7.7009 7.7009 7.7146 7.7146 7.9099 7.9099 7.9304 7.9304 8.4406 8.4406 8.8069 8.8069 9.2213 9.2213 9.2405 9.2405 9.2911 9.2911 9.4460 9.4460 9.6597 9.6597 9.6715 9.6715 9.7412 9.7412 10.0394 10.0394 10.2421 10.2421 10.2702 10.2702 11.6792 11.6792 11.6928 11.6928 11.7350 11.7350 11.7727 11.7727 k = 0.1489 0.2429-0.0000 ( 9083 PWs) bands (ev): -81.1236 -81.1236 -81.1202 -81.1202 -46.8056 -46.8056 -46.7960 -46.7960 -45.0739 -45.0739 -45.0713 -45.0713 -45.0707 -45.0707 -45.0457 -45.0457 4.7635 4.7635 7.4381 7.4381 7.6706 7.6706 7.7583 7.7583 7.9214 7.9214 7.9421 7.9421 8.4198 8.4198 8.8143 8.8143 9.2000 9.2000 9.2335 9.2335 9.2870 9.2870 9.4332 9.4332 9.6021 9.6021 9.6064 9.6064 9.6516 9.6516 10.0337 10.0337 10.2545 10.2545 10.2796 10.2796 11.6657 11.6657 11.7339 11.7339 11.7713 11.7713 11.7829 11.7829 k = 0.1577 0.2572-0.0000 ( 9099 PWs) bands (ev): -81.1239 -81.1239 -81.1203 -81.1203 -46.8052 -46.8052 -46.7965 -46.7965 -45.0739 -45.0739 -45.0708 -45.0708 -45.0704 -45.0704 -45.0467 -45.0467 4.8290 4.8290 7.4670 7.4670 7.6423 7.6423 7.8037 7.8037 7.9326 7.9326 7.9535 7.9535 8.4000 8.4000 8.8187 8.8187 9.1770 9.1770 9.2147 9.2147 9.2902 9.2902 9.4191 9.4191 9.5387 9.5387 9.5463 9.5463 9.5698 9.5698 10.0289 10.0289 10.2694 10.2694 10.2917 10.2917 11.6525 11.6525 11.7488 11.7488 11.7901 11.7901 11.8303 11.8303 k = 0.1664 0.2714-0.0000 ( 9099 PWs) bands (ev): -81.1236 -81.1236 -81.1206 -81.1206 -46.8049 -46.8049 -46.7968 -46.7968 -45.0738 -45.0738 -45.0710 -45.0710 -45.0694 -45.0694 -45.0477 -45.0477 4.8977 4.8977 7.4964 7.4964 7.6162 7.6162 7.8518 7.8518 7.9432 7.9432 7.9642 7.9642 8.3814 8.3814 8.8213 8.8213 9.1535 9.1535 9.1911 9.1911 9.2953 9.2953 9.4033 9.4033 9.4625 9.4625 9.4940 9.4940 9.5029 9.5029 10.0259 10.0259 10.2858 10.2858 10.3056 10.3056 11.6412 11.6412 11.7564 11.7565 11.7943 11.7943 11.8933 11.8933 k = 0.1752 0.2857-0.0000 ( 9099 PWs) bands (ev): -81.1234 -81.1234 -81.1208 -81.1208 -46.8045 -46.8045 -46.7972 -46.7972 -45.0737 -45.0737 -45.0712 -45.0712 -45.0684 -45.0684 -45.0488 -45.0488 4.9694 4.9694 7.5258 7.5258 7.5924 7.5924 7.9007 7.9007 7.9534 7.9534 7.9745 7.9745 8.3642 8.3642 8.8219 8.8219 9.1284 9.1284 9.1644 9.1644 9.2988 9.2988 9.3783 9.3783 9.3869 9.3869 9.4469 9.4469 9.4496 9.4496 10.0243 10.0243 10.3037 10.3037 10.3212 10.3212 11.6309 11.6309 11.7601 11.7601 11.7951 11.7951 11.9566 11.9566 k = 0.1839 0.3000-0.0000 ( 9063 PWs) bands (ev): -81.1228 -81.1228 -81.1205 -81.1205 -46.8040 -46.8040 -46.7975 -46.7975 -45.0735 -45.0735 -45.0712 -45.0712 -45.0672 -45.0672 -45.0498 -45.0498 5.0439 5.0439 7.5551 7.5551 7.5710 7.5710 7.9501 7.9501 7.9644 7.9644 7.9842 7.9842 8.3490 8.3490 8.8208 8.8208 9.1028 9.1028 9.1360 9.1360 9.2993 9.2993 9.3007 9.3007 9.3580 9.3580 9.4078 9.4078 9.4098 9.4098 10.0245 10.0245 10.3229 10.3229 10.3382 10.3382 11.6224 11.6224 11.7607 11.7607 11.7931 11.7931 12.0196 12.0196 k = 0.1927 0.3143-0.0000 ( 9075 PWs) bands (ev): -81.1230 -81.1230 -81.1206 -81.1206 -46.8036 -46.8036 -46.7980 -46.7980 -45.0734 -45.0734 -45.0714 -45.0714 -45.0661 -45.0661 -45.0510 -45.0510 5.1210 5.1210 7.5517 7.5517 7.5837 7.5837 7.9697 7.9697 7.9921 7.9921 8.0046 8.0046 8.3343 8.3343 8.8173 8.8173 9.0738 9.0738 9.1040 9.1040 9.2230 9.2230 9.2915 9.2915 9.3232 9.3232 9.3782 9.3782 9.3826 9.3826 10.0255 10.0255 10.3425 10.3425 10.3557 10.3557 11.6157 11.6157 11.7581 11.7581 11.7881 11.7881 12.0809 12.0809 k = 0.2015 0.3286-0.0000 ( 9079 PWs) bands (ev): -81.1228 -81.1228 -81.1208 -81.1208 -46.8032 -46.8032 -46.7985 -46.7985 -45.0733 -45.0733 -45.0715 -45.0715 -45.0650 -45.0650 -45.0522 -45.0522 5.2007 5.2007 7.5348 7.5348 7.6111 7.6111 7.9763 7.9763 7.9983 7.9983 8.0569 8.0569 8.3211 8.3211 8.8122 8.8122 9.0440 9.0440 9.0710 9.0710 9.1481 9.1481 9.2756 9.2756 9.2874 9.2874 9.3613 9.3613 9.3624 9.3624 10.0279 10.0279 10.3623 10.3623 10.3735 10.3735 11.6105 11.6105 11.7532 11.7532 11.7807 11.7807 12.1395 12.1395 k = 0.2102 0.3429-0.0000 ( 9095 PWs) bands (ev): -81.1227 -81.1227 -81.1214 -81.1214 -46.8030 -46.8030 -46.7989 -46.7989 -45.0733 -45.0733 -45.0718 -45.0718 -45.0640 -45.0640 -45.0534 -45.0534 5.2829 5.2829 7.5201 7.5201 7.6369 7.6369 7.9806 7.9806 8.0025 8.0025 8.1104 8.1104 8.3088 8.3088 8.8051 8.8051 9.0128 9.0128 9.0369 9.0369 9.0774 9.0774 9.2545 9.2545 9.2548 9.2548 9.3448 9.3448 9.3525 9.3525 10.0312 10.0312 10.3820 10.3820 10.3912 10.3912 11.6068 11.6068 11.7463 11.7463 11.7714 11.7714 12.1913 12.1913 k = 0.2190 0.3572-0.0000 ( 9083 PWs) bands (ev): -81.1224 -81.1224 -81.1213 -81.1213 -46.8025 -46.8025 -46.7993 -46.7993 -45.0732 -45.0732 -45.0719 -45.0719 -45.0627 -45.0627 -45.0546 -45.0546 5.3672 5.3672 7.5078 7.5078 7.6607 7.6607 7.9831 7.9831 8.0048 8.0048 8.1647 8.1647 8.2985 8.2985 8.7971 8.7971 8.9809 8.9809 9.0026 9.0026 9.0126 9.0126 9.2271 9.2271 9.2334 9.2334 9.3288 9.3288 9.3478 9.3478 10.0360 10.0360 10.4016 10.4016 10.4087 10.4087 11.6050 11.6050 11.7383 11.7383 11.7610 11.7610 12.2252 12.2252 k = 0.2277 0.3714-0.0000 ( 9091 PWs) bands (ev): -81.1221 -81.1221 -81.1218 -81.1218 -46.8022 -46.8022 -46.7997 -46.7997 -45.0731 -45.0731 -45.0721 -45.0721 -45.0617 -45.0617 -45.0557 -45.0557 5.4536 5.4536 7.4979 7.4979 7.6811 7.6811 7.9826 7.9826 8.0041 8.0041 8.2189 8.2189 8.2896 8.2896 8.7878 8.7878 8.9484 8.9484 8.9532 8.9532 8.9689 8.9689 9.2039 9.2039 9.2142 9.2142 9.3137 9.3137 9.3441 9.3441 10.0419 10.0419 10.4198 10.4198 10.4249 10.4249 11.6039 11.6039 11.7295 11.7295 11.7499 11.7499 12.2326 12.2326 k = 0.2365 0.3857-0.0000 ( 9099 PWs) bands (ev): -81.1222 -81.1222 -81.1220 -81.1220 -46.8018 -46.8018 -46.8003 -46.8003 -45.0731 -45.0731 -45.0722 -45.0722 -45.0605 -45.0605 -45.0570 -45.0570 5.5418 5.5418 7.4903 7.4903 7.6978 7.6978 7.9799 7.9799 8.0011 8.0011 8.2727 8.2727 8.2821 8.2821 8.7775 8.7775 8.8983 8.8983 8.9180 8.9180 8.9358 8.9358 9.1852 9.1852 9.1976 9.1976 9.2998 9.2998 9.3399 9.3399 10.0488 10.0488 10.4371 10.4371 10.4403 10.4403 11.6034 11.6034 11.7207 11.7207 11.7390 11.7390 12.2280 12.2280 k = 0.2453 0.4000-0.0000 ( 9135 PWs) bands (ev): -81.1229 -81.1229 -81.1221 -81.1221 -46.8015 -46.8015 -46.8008 -46.8008 -45.0732 -45.0732 -45.0723 -45.0723 -45.0594 -45.0594 -45.0585 -45.0585 5.6316 5.6316 7.4847 7.4847 7.7098 7.7098 7.9745 7.9745 7.9953 7.9953 8.2761 8.2761 8.3246 8.3246 8.7657 8.7657 8.8504 8.8504 8.8874 8.8874 8.9042 8.9042 9.1705 9.1705 9.1839 9.1839 9.2874 9.2874 9.3344 9.3344 10.0559 10.0559 10.4526 10.4526 10.4539 10.4539 11.6021 11.6021 11.7126 11.7126 11.7289 11.7289 12.2196 12.2196 k = 0.2540 0.4143-0.0000 ( 9143 PWs) bands (ev): -81.1228 -81.1228 -81.1225 -81.1225 -46.8017 -46.8017 -46.8008 -46.8008 -45.0733 -45.0733 -45.0723 -45.0723 -45.0597 -45.0597 -45.0582 -45.0582 5.7230 5.7230 7.4816 7.4816 7.7167 7.7167 7.9665 7.9665 7.9866 7.9866 8.2716 8.2716 8.3767 8.3767 8.7538 8.7538 8.8102 8.8102 8.8591 8.8591 8.8747 8.8747 9.1601 9.1601 9.1738 9.1738 9.2773 9.2773 9.3285 9.3285 10.0646 10.0646 10.4652 10.4652 10.4657 10.4657 11.6018 11.6018 11.7061 11.7061 11.7208 11.7208 12.2100 12.2100 k = 0.2628 0.4286-0.0000 ( 9135 PWs) bands (ev): -81.1226 -81.1226 -81.1224 -81.1224 -46.8020 -46.8020 -46.8004 -46.8004 -45.0734 -45.0734 -45.0722 -45.0722 -45.0609 -45.0609 -45.0571 -45.0571 5.8156 5.8156 7.4806 7.4806 7.7176 7.7176 7.9559 7.9559 7.9753 7.9753 8.2687 8.2687 8.4271 8.4271 8.7415 8.7415 8.7789 8.7789 8.8331 8.8331 8.8474 8.8474 9.1540 9.1540 9.1672 9.1672 9.2699 9.2699 9.3215 9.3215 10.0744 10.0744 10.4740 10.4740 10.4761 10.4761 11.6008 11.6008 11.7020 11.7020 11.7151 11.7151 12.1999 12.1999 k = 0.2715 0.4429-0.0000 ( 9143 PWs) bands (ev): -81.1228 -81.1228 -81.1225 -81.1225 -46.8025 -46.8025 -46.8000 -46.8000 -45.0735 -45.0735 -45.0722 -45.0722 -45.0622 -45.0622 -45.0559 -45.0559 5.9091 5.9091 7.4817 7.4817 7.7122 7.7122 7.9427 7.9427 7.9613 7.9613 8.2672 8.2672 8.4743 8.4743 8.7288 8.7288 8.7558 8.7558 8.8089 8.8089 8.8217 8.8217 9.1508 9.1508 9.1632 9.1632 9.2657 9.2657 9.3133 9.3133 10.0848 10.0848 10.4798 10.4798 10.4832 10.4832 11.5979 11.5979 11.7009 11.7009 11.7120 11.7120 12.1897 12.1897 k = 0.2803 0.4572-0.0000 ( 9135 PWs) bands (ev): -81.1228 -81.1228 -81.1222 -81.1222 -46.8030 -46.8030 -46.7996 -46.7996 -45.0737 -45.0737 -45.0721 -45.0721 -45.0634 -45.0634 -45.0547 -45.0547 6.0034 6.0034 7.4848 7.4848 7.7007 7.7007 7.9274 7.9274 7.9451 7.9451 8.2674 8.2674 8.5188 8.5188 8.7158 8.7158 8.7412 8.7412 8.7876 8.7876 8.7979 8.7979 9.1513 9.1513 9.1623 9.1623 9.2656 9.2656 9.3043 9.3043 10.0959 10.0959 10.4823 10.4823 10.4867 10.4867 11.5933 11.5933 11.7034 11.7034 11.7121 11.7121 12.1796 12.1796 k = 0.2890 0.4714-0.0000 ( 9135 PWs) bands (ev): -81.1230 -81.1230 -81.1221 -81.1221 -46.8034 -46.8034 -46.7992 -46.7992 -45.0738 -45.0738 -45.0720 -45.0720 -45.0646 -45.0646 -45.0535 -45.0535 6.0981 6.0981 7.4897 7.4897 7.6832 7.6832 7.9100 7.9100 7.9268 7.9268 8.2690 8.2690 8.5590 8.5590 8.7028 8.7028 8.7330 8.7330 8.7696 8.7696 8.7756 8.7756 9.1545 9.1545 9.1637 9.1637 9.2702 9.2702 9.2942 9.2942 10.1078 10.1078 10.4813 10.4813 10.4863 10.4863 11.5851 11.5851 11.7100 11.7100 11.7155 11.7155 12.1696 12.1696 k = 0.2978 0.4857-0.0000 ( 9139 PWs) bands (ev): -81.1235 -81.1235 -81.1216 -81.1216 -46.8038 -46.8038 -46.7989 -46.7989 -45.0740 -45.0740 -45.0718 -45.0718 -45.0657 -45.0657 -45.0525 -45.0525 6.1930 6.1930 7.4963 7.4963 7.6605 7.6605 7.8908 7.8908 7.9069 7.9069 8.2720 8.2720 8.5952 8.5952 8.6898 8.6898 8.7278 8.7278 8.7548 8.7548 8.7571 8.7571 9.1598 9.1598 9.1667 9.1667 9.2803 9.2803 9.2833 9.2833 10.1203 10.1203 10.4767 10.4767 10.4818 10.4818 11.5719 11.5719 11.7210 11.7210 11.7229 11.7229 12.1599 12.1599 k = 0.3066 0.5000-0.0000 ( 9131 PWs) bands (ev): -81.1236 -81.1236 -81.1213 -81.1213 -46.8042 -46.8042 -46.7985 -46.7985 -45.0742 -45.0742 -45.0717 -45.0717 -45.0668 -45.0668 -45.0514 -45.0514 6.2877 6.2877 7.5046 7.5046 7.6334 7.6334 7.8705 7.8705 7.8858 7.8858 8.2767 8.2767 8.6235 8.6235 8.6770 8.6770 8.7229 8.7229 8.7354 8.7354 8.7558 8.7558 9.1680 9.1680 9.1713 9.1713 9.2724 9.2724 9.2964 9.2964 10.1334 10.1334 10.4689 10.4689 10.4736 10.4736 11.5506 11.5506 11.7348 11.7348 11.7365 11.7365 12.1505 12.1505 k = 0.3153 0.5143-0.0000 ( 9139 PWs) bands (ev): -81.1240 -81.1240 -81.1212 -81.1212 -46.8046 -46.8046 -46.7982 -46.7982 -45.0744 -45.0744 -45.0716 -45.0716 -45.0680 -45.0680 -45.0503 -45.0503 6.3819 6.3819 7.5143 7.5143 7.6028 7.6028 7.8491 7.8491 7.8637 7.8637 8.2827 8.2827 8.6421 8.6421 8.6645 8.6645 8.7168 8.7168 8.7179 8.7179 8.7646 8.7646 9.1754 9.1754 9.1775 9.1775 9.2622 9.2622 9.3188 9.3188 10.1471 10.1471 10.4581 10.4581 10.4617 10.4617 11.5197 11.5197 11.7514 11.7514 11.7563 11.7563 12.1414 12.1414 k = 0.3241 0.5286-0.0000 ( 9119 PWs) bands (ev): -81.1239 -81.1239 -81.1207 -81.1207 -46.8050 -46.8050 -46.7978 -46.7978 -45.0745 -45.0745 -45.0715 -45.0715 -45.0690 -45.0690 -45.0492 -45.0492 6.4753 6.4753 7.5253 7.5253 7.5697 7.5697 7.8274 7.8274 7.8413 7.8413 8.2905 8.2905 8.6492 8.6492 8.6525 8.6525 8.6995 8.6995 8.7191 8.7191 8.7809 8.7809 9.1779 9.1779 9.1894 9.1894 9.2549 9.2549 9.3473 9.3473 10.1613 10.1613 10.4451 10.4451 10.4470 10.4470 11.4792 11.4792 11.7731 11.7731 11.7804 11.7804 12.1104 12.1104 k = 0.3328 0.5429-0.0000 ( 9091 PWs) bands (ev): -81.1235 -81.1235 -81.1204 -81.1204 -46.8054 -46.8054 -46.7973 -46.7973 -45.0746 -45.0746 -45.0713 -45.0713 -45.0700 -45.0700 -45.0480 -45.0480 6.5675 6.5675 7.5350 7.5350 7.5375 7.5375 7.8055 7.8055 7.8188 7.8188 8.2998 8.2998 8.6411 8.6411 8.6459 8.6459 8.6831 8.6831 8.7257 8.7257 8.8021 8.8021 9.1756 9.1756 9.2029 9.2029 9.2528 9.2528 9.3816 9.3816 10.1761 10.1761 10.4301 10.4301 10.4303 10.4303 11.4297 11.4297 11.7992 11.7992 11.8080 11.8080 12.0852 12.0852 k = 0.3416 0.5572-0.0000 ( 9091 PWs) bands (ev): -81.1237 -81.1237 -81.1203 -81.1203 -46.8058 -46.8058 -46.7969 -46.7969 -45.0748 -45.0748 -45.0712 -45.0712 -45.0711 -45.0711 -45.0470 -45.0470 6.6581 6.6581 7.4993 7.4993 7.5504 7.5504 7.7834 7.7834 7.7962 7.7962 8.3102 8.3102 8.6301 8.6301 8.6374 8.6374 8.6672 8.6672 8.7334 8.7334 8.8251 8.8251 9.1666 9.1666 9.2162 9.2162 9.2557 9.2557 9.4210 9.4210 10.1912 10.1912 10.4112 10.4112 10.4140 10.4140 11.3732 11.3732 11.8288 11.8288 11.8385 11.8385 12.0683 12.0683 k = 0.3504 0.5715-0.0000 ( 9099 PWs) bands (ev): -81.1238 -81.1238 -81.1204 -81.1204 -46.8062 -46.8062 -46.7966 -46.7966 -45.0749 -45.0749 -45.0721 -45.0721 -45.0711 -45.0711 -45.0460 -45.0460 6.7468 6.7468 7.4633 7.4633 7.5641 7.5641 7.7617 7.7617 7.7739 7.7739 8.3218 8.3218 8.6197 8.6197 8.6268 8.6268 8.6520 8.6520 8.7403 8.7403 8.8500 8.8500 9.1523 9.1523 9.2296 9.2296 9.2626 9.2626 9.4647 9.4647 10.2065 10.2065 10.3912 10.3912 10.3970 10.3970 11.3120 11.3120 11.8613 11.8613 11.8710 11.8710 12.0576 12.0576 k = 0.3591 0.5857-0.0000 ( 9107 PWs) bands (ev): -81.1239 -81.1239 -81.1205 -81.1205 -46.8067 -46.8067 -46.7962 -46.7962 -45.0750 -45.0750 -45.0732 -45.0732 -45.0711 -45.0711 -45.0450 -45.0450 6.8330 6.8330 7.4276 7.4276 7.5783 7.5783 7.7405 7.7405 7.7523 7.7523 8.3349 8.3349 8.6100 8.6100 8.6159 8.6159 8.6376 8.6376 8.7452 8.7452 8.8761 8.8761 9.1349 9.1349 9.2430 9.2430 9.2717 9.2717 9.5120 9.5120 10.2221 10.2221 10.3709 10.3709 10.3802 10.3802 11.2478 11.2478 11.8955 11.8955 11.9049 11.9049 12.0505 12.0505 k = 0.3679 0.6000-0.0000 ( 9111 PWs) bands (ev): -81.1240 -81.1240 -81.1205 -81.1205 -46.8071 -46.8071 -46.7959 -46.7959 -45.0752 -45.0752 -45.0741 -45.0741 -45.0710 -45.0710 -45.0441 -45.0441 6.9165 6.9165 7.3925 7.3925 7.5927 7.5927 7.7202 7.7202 7.7316 7.7316 8.3491 8.3491 8.6012 8.6012 8.6054 8.6054 8.6243 8.6243 8.7492 8.7492 8.9028 8.9028 9.1149 9.1149 9.2559 9.2559 9.2816 9.2816 9.5621 9.5621 10.2378 10.2378 10.3510 10.3510 10.3641 10.3641 11.1825 11.1825 11.9303 11.9303 11.9393 11.9393 12.0466 12.0466 k = 0.3766 0.6143-0.0000 ( 9127 PWs) bands (ev): -81.1246 -81.1246 -81.1203 -81.1203 -46.8074 -46.8074 -46.7958 -46.7958 -45.0754 -45.0754 -45.0750 -45.0750 -45.0709 -45.0709 -45.0434 -45.0434 6.9969 6.9969 7.3585 7.3585 7.6068 7.6068 7.7008 7.7008 7.7119 7.7119 8.3644 8.3644 8.5928 8.5928 8.5954 8.5954 8.6120 8.6120 8.7529 8.7529 8.9292 8.9292 9.0934 9.0934 9.2670 9.2670 9.2905 9.2905 9.6144 9.6144 10.2531 10.2531 10.3316 10.3316 10.3491 10.3491 11.1172 11.1172 11.9638 11.9638 11.9728 11.9728 12.0452 12.0452 k = 0.3854 0.6286-0.0000 ( 9111 PWs) bands (ev): -81.1243 -81.1243 -81.1202 -81.1202 -46.8077 -46.8077 -46.7954 -46.7954 -45.0758 -45.0758 -45.0755 -45.0755 -45.0708 -45.0708 -45.0424 -45.0424 7.0736 7.0736 7.3260 7.3260 7.6208 7.6208 7.6825 7.6825 7.6937 7.6937 8.3811 8.3811 8.5856 8.5856 8.5861 8.5861 8.6007 8.6007 8.7553 8.7553 8.9570 8.9570 9.0709 9.0709 9.2784 9.2784 9.3000 9.3000 9.6682 9.6682 10.2680 10.2680 10.3145 10.3145 10.3373 10.3373 11.0526 11.0526 11.9933 11.9933 12.0049 12.0049 12.0463 12.0463 k = 0.3942 0.6429-0.0000 ( 9111 PWs) bands (ev): -81.1244 -81.1244 -81.1201 -81.1201 -46.8081 -46.8081 -46.7951 -46.7951 -45.0766 -45.0766 -45.0756 -45.0756 -45.0707 -45.0707 -45.0416 -45.0416 7.1462 7.1462 7.2951 7.2951 7.6337 7.6337 7.6652 7.6652 7.6774 7.6774 8.3989 8.3989 8.5774 8.5774 8.5791 8.5791 8.5905 8.5905 8.7573 8.7573 8.9826 8.9826 9.0476 9.0476 9.2877 9.2877 9.3077 9.3077 9.7232 9.7232 10.2810 10.2810 10.2990 10.2990 10.3289 10.3289 10.9895 10.9895 12.0117 12.0117 12.0338 12.0338 12.0554 12.0554 k = 0.4029 0.6572-0.0000 ( 9119 PWs) bands (ev): -81.1248 -81.1248 -81.1199 -81.1199 -46.8083 -46.8083 -46.7950 -46.7950 -45.0773 -45.0773 -45.0758 -45.0758 -45.0707 -45.0707 -45.0411 -45.0411 7.2144 7.2144 7.2661 7.2661 7.6419 7.6419 7.6493 7.6493 7.6665 7.6665 8.4175 8.4175 8.5695 8.5695 8.5729 8.5729 8.5818 8.5818 8.7596 8.7596 9.0050 9.0050 9.0232 9.0232 9.2951 9.2951 9.3138 9.3138 9.7788 9.7788 10.2855 10.2855 10.2889 10.2889 10.3273 10.3273 10.9283 10.9283 12.0160 12.0160 12.0582 12.0582 12.0743 12.0743 k = 0.4117 0.6715-0.0000 ( 9119 PWs) bands (ev): -81.1249 -81.1249 -81.1198 -81.1198 -46.8086 -46.8086 -46.7947 -46.7947 -45.0780 -45.0780 -45.0759 -45.0759 -45.0706 -45.0706 -45.0404 -45.0404 7.2385 7.2385 7.2786 7.2786 7.6346 7.6346 7.6370 7.6370 7.6696 7.6696 8.4369 8.4369 8.5624 8.5624 8.5667 8.5667 8.5750 8.5750 8.7614 8.7614 8.9983 8.9983 9.0281 9.0281 9.3011 9.3011 9.3188 9.3188 9.8346 9.8346 10.2744 10.2744 10.2900 10.2900 10.3345 10.3345 10.8693 10.8693 12.0128 12.0128 12.0742 12.0742 12.0926 12.0926 k = 0.4204 0.6857-0.0000 ( 9111 PWs) bands (ev): -81.1250 -81.1250 -81.1196 -81.1196 -46.8088 -46.8088 -46.7945 -46.7945 -45.0785 -45.0785 -45.0760 -45.0760 -45.0705 -45.0705 -45.0398 -45.0398 7.2139 7.2139 7.3369 7.3369 7.6213 7.6213 7.6256 7.6256 7.6796 7.6796 8.4567 8.4567 8.5564 8.5564 8.5607 8.5607 8.5704 8.5704 8.7638 8.7638 8.9728 8.9728 9.0495 9.0495 9.3055 9.3055 9.3223 9.3223 9.8904 9.8904 10.2656 10.2656 10.2879 10.2879 10.3466 10.3466 10.8126 10.8126 12.0068 12.0068 12.0801 12.0801 12.1045 12.1045 k = 0.4292 0.7000-0.0000 ( 9110 PWs) bands (ev): -81.1250 -81.1250 -81.1195 -81.1195 -46.8090 -46.8090 -46.7943 -46.7943 -45.0791 -45.0791 -45.0760 -45.0760 -45.0705 -45.0705 -45.0392 -45.0392 7.1915 7.1915 7.3899 7.3899 7.6093 7.6093 7.6140 7.6140 7.6902 7.6902 8.4767 8.4767 8.5508 8.5508 8.5551 8.5551 8.5672 8.5672 8.7659 8.7659 8.9471 8.9471 9.0691 9.0691 9.3085 9.3085 9.3245 9.3245 9.9456 9.9456 10.2591 10.2591 10.2858 10.2858 10.3600 10.3600 10.7582 10.7582 11.9987 11.9987 12.0834 12.0834 12.1157 12.1157 k = 0.4380 0.7143-0.0000 ( 9122 PWs) bands (ev): -81.1255 -81.1255 -81.1193 -81.1193 -46.8092 -46.8092 -46.7943 -46.7943 -45.0795 -45.0795 -45.0762 -45.0762 -45.0704 -45.0704 -45.0388 -45.0388 7.1714 7.1714 7.4373 7.4373 7.5987 7.5987 7.6034 7.6034 7.6999 7.6999 8.4957 8.4957 8.5462 8.5462 8.5510 8.5510 8.5656 8.5656 8.7680 8.7680 8.9211 8.9211 9.0873 9.0873 9.3095 9.3095 9.3248 9.3248 10.0000 10.0000 10.2536 10.2536 10.2835 10.2835 10.3732 10.3732 10.7063 10.7063 11.9895 11.9895 12.0870 12.0870 12.1235 12.1235 k = 0.4380 0.7143-0.0000 ( 9122 PWs) bands (ev): -81.1255 -81.1255 -81.1193 -81.1193 -46.8092 -46.8092 -46.7943 -46.7943 -45.0795 -45.0795 -45.0762 -45.0762 -45.0704 -45.0704 -45.0388 -45.0388 7.1714 7.1714 7.4373 7.4373 7.5987 7.5987 7.6034 7.6034 7.6999 7.6999 8.4957 8.4957 8.5462 8.5462 8.5510 8.5510 8.5656 8.5656 8.7680 8.7680 8.9211 8.9211 9.0873 9.0873 9.3095 9.3095 9.3248 9.3248 10.0000 10.0000 10.2536 10.2536 10.2835 10.2835 10.3732 10.3732 10.7063 10.7063 11.9895 11.9895 12.0870 12.0870 12.1235 12.1235 k = 0.4334 0.7068 0.0143 ( 9117 PWs) bands (ev): -81.1254 -81.1254 -81.1193 -81.1193 -46.8091 -46.8091 -46.7943 -46.7943 -45.0793 -45.0793 -45.0761 -45.0761 -45.0704 -45.0704 -45.0391 -45.0391 7.1760 7.1760 7.4133 7.4133 7.6040 7.6040 7.6115 7.6115 7.6963 7.6963 8.4844 8.4844 8.5463 8.5463 8.5545 8.5545 8.5679 8.5679 8.7645 8.7645 8.9353 8.9353 9.0790 9.0790 9.3101 9.3101 9.3259 9.3259 9.9725 9.9725 10.2506 10.2506 10.2809 10.2809 10.3764 10.3764 10.7320 10.7320 11.9937 11.9937 12.0798 12.0798 12.1201 12.1201 k = 0.4288 0.6994 0.0286 ( 9123 PWs) bands (ev): -81.1254 -81.1254 -81.1194 -81.1194 -46.8090 -46.8090 -46.7945 -46.7945 -45.0790 -45.0790 -45.0761 -45.0761 -45.0704 -45.0704 -45.0394 -45.0394 7.1704 7.1704 7.3885 7.3885 7.6042 7.6042 7.6292 7.6292 7.6949 7.6949 8.4709 8.4709 8.5451 8.5451 8.5583 8.5583 8.5721 8.5721 8.7569 8.7569 8.9497 8.9497 9.0746 9.0746 9.3122 9.3122 9.3290 9.3290 9.9466 9.9466 10.2341 10.2341 10.2761 10.2761 10.3970 10.3970 10.7555 10.7555 11.9956 11.9956 12.0642 12.0642 12.1150 12.1150 k = 0.4242 0.6919 0.0429 ( 9127 PWs) bands (ev): -81.1254 -81.1254 -81.1196 -81.1196 -46.8089 -46.8089 -46.7945 -46.7945 -45.0788 -45.0788 -45.0761 -45.0761 -45.0705 -45.0705 -45.0396 -45.0396 7.1562 7.1562 7.3634 7.3634 7.5990 7.5990 7.6540 7.6540 7.6968 7.6968 8.4574 8.4574 8.5432 8.5432 8.5610 8.5610 8.5773 8.5773 8.7464 8.7464 8.9646 8.9646 9.0733 9.0733 9.3156 9.3156 9.3338 9.3338 9.9224 9.9224 10.2076 10.2076 10.2734 10.2734 10.4280 10.4280 10.7766 10.7766 11.9949 11.9949 12.0422 12.0422 12.1079 12.1079 k = 0.4196 0.6844 0.0572 ( 9120 PWs) bands (ev): -81.1253 -81.1253 -81.1195 -81.1195 -46.8087 -46.8087 -46.7946 -46.7946 -45.0785 -45.0785 -45.0760 -45.0760 -45.0705 -45.0705 -45.0399 -45.0399 7.1354 7.1354 7.3384 7.3384 7.5893 7.5893 7.6822 7.6822 7.7029 7.7029 8.4447 8.4447 8.5416 8.5416 8.5629 8.5629 8.5826 8.5826 8.7339 8.7339 8.9793 8.9793 9.0762 9.0762 9.3200 9.3200 9.3398 9.3398 9.8999 9.8999 10.1770 10.1770 10.2713 10.2713 10.4648 10.4648 10.7956 10.7956 11.9889 11.9889 12.0169 12.0169 12.0994 12.0994 k = 0.4150 0.6769 0.0715 ( 9116 PWs) bands (ev): -81.1252 -81.1252 -81.1194 -81.1194 -46.8086 -46.8086 -46.7947 -46.7947 -45.0781 -45.0781 -45.0760 -45.0760 -45.0705 -45.0705 -45.0402 -45.0402 7.1100 7.1100 7.3137 7.3137 7.5758 7.5758 7.7001 7.7001 7.7232 7.7232 8.4336 8.4336 8.5397 8.5397 8.5637 8.5637 8.5875 8.5875 8.7206 8.7206 8.9926 8.9926 9.0839 9.0839 9.3250 9.3250 9.3462 9.3462 9.8790 9.8790 10.1450 10.1450 10.2692 10.2692 10.5041 10.5041 10.8130 10.8130 11.9669 11.9669 12.0002 12.0002 12.0896 12.0896 k = 0.4104 0.6695 0.0858 ( 9119 PWs) bands (ev): -81.1252 -81.1252 -81.1195 -81.1195 -46.8084 -46.8084 -46.7948 -46.7948 -45.0778 -45.0778 -45.0759 -45.0759 -45.0705 -45.0705 -45.0405 -45.0405 7.0814 7.0814 7.2894 7.2894 7.5598 7.5598 7.7067 7.7067 7.7562 7.7562 8.4238 8.4238 8.5377 8.5377 8.5631 8.5631 8.5923 8.5923 8.7067 8.7067 9.0031 9.0031 9.0974 9.0974 9.3306 9.3306 9.3527 9.3527 9.8593 9.8593 10.1132 10.1132 10.2669 10.2669 10.5433 10.5433 10.8299 10.8299 11.9308 11.9308 11.9918 11.9918 12.0784 12.0784 k = 0.4059 0.6620 0.1001 ( 9117 PWs) bands (ev): -81.1251 -81.1251 -81.1196 -81.1196 -46.8083 -46.8083 -46.7949 -46.7949 -45.0774 -45.0774 -45.0758 -45.0758 -45.0705 -45.0705 -45.0408 -45.0408 7.0507 7.0507 7.2656 7.2656 7.5419 7.5419 7.7112 7.7112 7.7909 7.7909 8.4164 8.4164 8.5357 8.5357 8.5620 8.5620 8.5972 8.5972 8.6928 8.6928 9.0111 9.0111 9.1156 9.1156 9.3367 9.3367 9.3592 9.3592 9.8405 9.8405 10.0827 10.0827 10.2649 10.2649 10.5798 10.5798 10.8483 10.8483 11.8907 11.8907 11.9837 11.9837 12.0661 12.0661 k = 0.4013 0.6545 0.1144 ( 9112 PWs) bands (ev): -81.1250 -81.1250 -81.1196 -81.1196 -46.8081 -46.8081 -46.7950 -46.7950 -45.0771 -45.0771 -45.0758 -45.0758 -45.0706 -45.0706 -45.0412 -45.0412 7.0190 7.0190 7.2423 7.2423 7.5229 7.5229 7.7146 7.7146 7.8249 7.8249 8.4113 8.4113 8.5332 8.5332 8.5612 8.5612 8.6022 8.6022 8.6792 8.6792 9.0174 9.0174 9.1375 9.1375 9.3424 9.3424 9.3661 9.3661 9.8217 9.8217 10.0547 10.0547 10.2629 10.2629 10.6107 10.6107 10.8703 10.8703 11.8498 11.8498 11.9746 11.9746 12.0524 12.0524 k = 0.3967 0.6470 0.1287 ( 9115 PWs) bands (ev): -81.1248 -81.1248 -81.1198 -81.1198 -46.8080 -46.8080 -46.7951 -46.7951 -45.0767 -45.0767 -45.0756 -45.0756 -45.0706 -45.0706 -45.0415 -45.0415 6.9868 6.9868 7.2193 7.2193 7.5031 7.5031 7.7166 7.7166 7.8573 7.8573 8.4088 8.4088 8.5292 8.5292 8.5614 8.5614 8.6067 8.6067 8.6658 8.6658 9.0227 9.0227 9.1619 9.1619 9.3468 9.3468 9.3746 9.3746 9.8023 9.8023 10.0299 10.0299 10.2614 10.2614 10.6334 10.6334 10.8979 10.8979 11.8096 11.8096 11.9640 11.9640 12.0372 12.0372 k = 0.3921 0.6395 0.1430 ( 9110 PWs) bands (ev): -81.1247 -81.1247 -81.1199 -81.1199 -46.8079 -46.8079 -46.7952 -46.7952 -45.0763 -45.0763 -45.0755 -45.0755 -45.0707 -45.0707 -45.0419 -45.0419 6.9545 6.9545 7.1967 7.1967 7.4831 7.4831 7.7176 7.7176 7.8872 7.8872 8.4089 8.4089 8.5241 8.5241 8.5636 8.5636 8.6112 8.6112 8.6536 8.6536 9.0274 9.0274 9.1867 9.1867 9.3488 9.3488 9.3863 9.3863 9.7814 9.7814 10.0095 10.0095 10.2606 10.2606 10.6473 10.6473 10.9319 10.9319 11.7716 11.7716 11.9520 11.9520 12.0206 12.0206 k = 0.3875 0.6321 0.1574 ( 9109 PWs) bands (ev): -81.1246 -81.1246 -81.1199 -81.1199 -46.8077 -46.8077 -46.7953 -46.7953 -45.0759 -45.0759 -45.0755 -45.0755 -45.0707 -45.0707 -45.0423 -45.0423 6.9225 6.9225 7.1744 7.1744 7.4633 7.4633 7.7174 7.7174 7.9141 7.9141 8.4117 8.4117 8.5178 8.5178 8.5675 8.5675 8.6146 8.6146 8.6434 8.6434 9.0317 9.0317 9.2107 9.2107 9.3478 9.3478 9.4018 9.4018 9.7585 9.7585 9.9940 9.9940 10.2605 10.2605 10.6532 10.6532 10.9711 10.9711 11.7364 11.7364 11.9389 11.9389 12.0024 12.0024 k = 0.3829 0.6246 0.1717 ( 9111 PWs) bands (ev): -81.1247 -81.1247 -81.1199 -81.1199 -46.8075 -46.8075 -46.7955 -46.7955 -45.0755 -45.0755 -45.0753 -45.0753 -45.0707 -45.0707 -45.0427 -45.0427 6.8911 6.8911 7.1523 7.1523 7.4440 7.4440 7.7164 7.7164 7.9376 7.9376 8.4168 8.4168 8.5111 8.5111 8.5723 8.5723 8.6162 8.6162 8.6367 8.6367 9.0356 9.0356 9.2324 9.2324 9.3440 9.3440 9.4220 9.4220 9.7332 9.7332 9.9836 9.9836 10.2613 10.2613 10.6531 10.6531 11.0133 11.0133 11.7050 11.7050 11.9243 11.9243 11.9823 11.9823 k = 0.3784 0.6171 0.1860 ( 9109 PWs) bands (ev): -81.1245 -81.1245 -81.1200 -81.1200 -46.8073 -46.8073 -46.7956 -46.7956 -45.0753 -45.0753 -45.0750 -45.0750 -45.0708 -45.0708 -45.0431 -45.0431 6.8606 6.8606 7.1303 7.1303 7.4257 7.4257 7.7147 7.7147 7.9579 7.9579 8.4234 8.4234 8.5055 8.5055 8.5763 8.5763 8.6154 8.6154 8.6347 8.6347 9.0398 9.0398 9.2509 9.2509 9.3379 9.3379 9.4473 9.4473 9.7056 9.7056 9.9780 9.9780 10.2631 10.2631 10.6492 10.6492 11.0563 11.0563 11.6784 11.6784 11.9081 11.9081 11.9602 11.9602 k = 0.3738 0.6096 0.2003 ( 9115 PWs) bands (ev): -81.1246 -81.1246 -81.1201 -81.1201 -46.8071 -46.8071 -46.7958 -46.7958 -45.0752 -45.0752 -45.0745 -45.0745 -45.0708 -45.0708 -45.0436 -45.0436 6.8312 6.8312 7.1084 7.1084 7.4087 7.4087 7.7125 7.7125 7.9747 7.9747 8.4298 8.4298 8.5022 8.5022 8.5774 8.5774 8.6160 8.6160 8.6358 8.6358 9.0436 9.0436 9.2653 9.2653 9.3293 9.3293 9.4777 9.4777 9.6762 9.6762 9.9766 9.9766 10.2662 10.2662 10.6427 10.6427 11.0982 11.0982 11.6573 11.6573 11.8905 11.8905 11.9354 11.9354 k = 0.3692 0.6022 0.2146 ( 9123 PWs) bands (ev): -81.1247 -81.1247 -81.1202 -81.1202 -46.8070 -46.8070 -46.7960 -46.7960 -45.0752 -45.0752 -45.0741 -45.0741 -45.0709 -45.0709 -45.0441 -45.0441 6.8030 6.8030 7.0866 7.0866 7.3931 7.3931 7.7101 7.7101 7.9884 7.9884 8.4335 8.4335 8.5036 8.5036 8.5755 8.5755 8.6205 8.6205 8.6376 8.6376 9.0471 9.0471 9.2744 9.2744 9.3196 9.3196 9.5126 9.5126 9.6454 9.6454 9.9787 9.9787 10.2702 10.2702 10.6352 10.6352 11.1376 11.1376 11.6423 11.6423 11.8712 11.8712 11.9070 11.9070 k = 0.3646 0.5947 0.2289 ( 9118 PWs) bands (ev): -81.1243 -81.1243 -81.1204 -81.1204 -46.8068 -46.8068 -46.7961 -46.7961 -45.0750 -45.0750 -45.0736 -45.0736 -45.0709 -45.0709 -45.0445 -45.0445 6.7762 6.7762 7.0649 7.0649 7.3792 7.3792 7.7078 7.7078 8.0001 8.0001 8.4330 8.4330 8.5111 8.5111 8.5722 8.5722 8.6276 8.6276 8.6394 8.6394 9.0506 9.0506 9.2775 9.2775 9.3107 9.3107 9.5522 9.5522 9.6139 9.6139 9.9837 9.9837 10.2757 10.2757 10.6276 10.6276 11.1733 11.1733 11.6341 11.6341 11.8490 11.8490 11.8746 11.8746 k = 0.3600 0.5872 0.2432 ( 9124 PWs) bands (ev): -81.1243 -81.1243 -81.1205 -81.1205 -46.8066 -46.8066 -46.7962 -46.7962 -45.0750 -45.0750 -45.0731 -45.0731 -45.0710 -45.0710 -45.0450 -45.0450 6.7509 6.7509 7.0434 7.0434 7.3671 7.3671 7.7055 7.7055 8.0095 8.0095 8.4288 8.4288 8.5229 8.5229 8.5700 8.5700 8.6352 8.6352 8.6415 8.6415 9.0535 9.0535 9.2706 9.2706 9.3058 9.3058 9.5807 9.5807 9.5958 9.5958 9.9908 9.9908 10.2822 10.2822 10.6200 10.6200 11.2045 11.2045 11.6326 11.6326 11.8196 11.8196 11.8416 11.8416 k = 0.3554 0.5797 0.2575 ( 9132 PWs) bands (ev): -81.1243 -81.1243 -81.1207 -81.1207 -46.8065 -46.8065 -46.7964 -46.7964 -45.0749 -45.0749 -45.0727 -45.0727 -45.0711 -45.0711 -45.0455 -45.0455 6.7272 6.7272 7.0222 7.0222 7.3569 7.3569 7.7035 7.7035 8.0173 8.0173 8.4224 8.4224 8.5350 8.5350 8.5713 8.5713 8.6386 8.6386 8.6474 8.6474 9.0561 9.0561 9.2555 9.2555 9.3045 9.3045 9.5493 9.5493 9.6403 9.6403 9.9998 9.9998 10.2900 10.2900 10.6128 10.6128 11.2312 11.2312 11.6372 11.6372 11.7785 11.7785 11.8139 11.8139 k = 0.3509 0.5723 0.2718 ( 9128 PWs) bands (ev): -81.1242 -81.1242 -81.1208 -81.1208 -46.8062 -46.8062 -46.7965 -46.7965 -45.0748 -45.0748 -45.0722 -45.0722 -45.0711 -45.0711 -45.0459 -45.0459 6.7052 6.7052 7.0014 7.0014 7.3486 7.3486 7.7022 7.7022 8.0239 8.0239 8.4156 8.4156 8.5431 8.5431 8.5794 8.5794 8.6387 8.6387 8.6563 8.6563 9.0586 9.0586 9.2359 9.2359 9.3039 9.3039 9.5175 9.5175 9.6876 9.6876 10.0102 10.0102 10.2991 10.2991 10.6065 10.6065 11.2541 11.2541 11.6462 11.6462 11.7321 11.7321 11.7886 11.7886 k = 0.3463 0.5648 0.2861 ( 9142 PWs) bands (ev): -81.1243 -81.1243 -81.1211 -81.1211 -46.8061 -46.8061 -46.7968 -46.7968 -45.0747 -45.0747 -45.0717 -45.0717 -45.0712 -45.0712 -45.0465 -45.0465 6.6849 6.6849 6.9811 6.9811 7.3422 7.3422 7.7010 7.7010 8.0298 8.0298 8.4086 8.4086 8.5467 8.5467 8.5932 8.5932 8.6376 8.6376 8.6648 8.6648 9.0606 9.0606 9.2131 9.2131 9.3019 9.3019 9.4856 9.4856 9.7365 9.7365 10.0219 10.0219 10.3091 10.3091 10.6003 10.6003 11.2738 11.2738 11.6554 11.6554 11.6861 11.6861 11.7637 11.7637 k = 0.3417 0.5573 0.3004 ( 9139 PWs) bands (ev): -81.1241 -81.1241 -81.1211 -81.1211 -46.8059 -46.8059 -46.7969 -46.7969 -45.0746 -45.0746 -45.0714 -45.0714 -45.0710 -45.0710 -45.0470 -45.0470 6.6665 6.6665 6.9616 6.9616 7.3377 7.3377 7.7007 7.7007 8.0352 8.0352 8.4022 8.4022 8.5490 8.5490 8.6070 8.6070 8.6385 8.6385 8.6735 8.6735 9.0621 9.0621 9.1884 9.1884 9.2989 9.2989 9.4547 9.4547 9.7866 9.7866 10.0350 10.0350 10.3200 10.3200 10.5949 10.5949 11.2917 11.2917 11.6312 11.6312 11.6712 11.6712 11.7409 11.7409 k = 0.3371 0.5498 0.3147 ( 9131 PWs) bands (ev): -81.1240 -81.1240 -81.1210 -81.1210 -46.8056 -46.8056 -46.7971 -46.7971 -45.0745 -45.0745 -45.0714 -45.0714 -45.0704 -45.0704 -45.0475 -45.0475 6.6499 6.6499 6.9428 6.9428 7.3351 7.3351 7.7010 7.7010 8.0407 8.0407 8.3968 8.3968 8.5512 8.5512 8.6139 8.6139 8.6458 8.6458 8.6825 8.6825 9.0631 9.0631 9.1620 9.1620 9.2945 9.2945 9.4248 9.4248 9.8377 9.8377 10.0493 10.0493 10.3317 10.3317 10.5894 10.5894 11.3084 11.3084 11.5844 11.5844 11.6686 11.6686 11.7267 11.7267 k = 0.3325 0.5423 0.3290 ( 9119 PWs) bands (ev): -81.1238 -81.1238 -81.1210 -81.1210 -46.8053 -46.8053 -46.7972 -46.7972 -45.0744 -45.0744 -45.0714 -45.0714 -45.0699 -45.0699 -45.0480 -45.0480 6.6353 6.6353 6.9249 6.9249 7.3343 7.3343 7.7018 7.7018 8.0465 8.0465 8.3923 8.3923 8.5535 8.5535 8.6132 8.6132 8.6585 8.6585 8.6923 8.6923 9.0631 9.0631 9.1347 9.1347 9.2885 9.2885 9.3958 9.3958 9.8897 9.8897 10.0650 10.0650 10.3440 10.3440 10.5840 10.5840 11.3240 11.3240 11.5372 11.5372 11.6498 11.6498 11.7245 11.7246 k = 0.3279 0.5349 0.3433 ( 9117 PWs) bands (ev): -81.1236 -81.1236 -81.1210 -81.1210 -46.8051 -46.8051 -46.7974 -46.7974 -45.0743 -45.0743 -45.0714 -45.0714 -45.0693 -45.0693 -45.0485 -45.0485 6.6226 6.6226 6.9081 6.9081 7.3354 7.3354 7.7030 7.7030 8.0524 8.0524 8.3884 8.3884 8.5550 8.5550 8.6101 8.6101 8.6702 8.6702 8.7044 8.7044 9.0611 9.0611 9.1074 9.1074 9.2804 9.2804 9.3680 9.3680 9.9418 9.9418 10.0822 10.0822 10.3567 10.3567 10.5781 10.5781 11.3373 11.3373 11.4908 11.4908 11.6218 11.6218 11.7017 11.7017 k = 0.3233 0.5274 0.3576 ( 9121 PWs) bands (ev): -81.1237 -81.1237 -81.1211 -81.1211 -46.8049 -46.8049 -46.7976 -46.7976 -45.0742 -45.0742 -45.0715 -45.0715 -45.0688 -45.0688 -45.0491 -45.0491 6.6119 6.6119 6.8923 6.8923 7.3382 7.3382 7.7046 7.7046 8.0586 8.0586 8.3855 8.3855 8.5539 8.5539 8.6083 8.6083 8.6784 8.6784 8.7193 8.7193 9.0526 9.0526 9.0851 9.0851 9.2702 9.2702 9.3417 9.3417 9.9939 9.9939 10.1010 10.1010 10.3696 10.3696 10.5718 10.5718 11.3459 11.3459 11.4457 11.4457 11.5917 11.5917 11.6741 11.6741 k = 0.3188 0.5199 0.3719 ( 9125 PWs) bands (ev): -81.1236 -81.1236 -81.1213 -81.1213 -46.8047 -46.8047 -46.7978 -46.7978 -45.0741 -45.0741 -45.0716 -45.0716 -45.0682 -45.0682 -45.0497 -45.0497 6.6032 6.6032 6.8776 6.8776 7.3428 7.3428 7.7063 7.7063 8.0656 8.0656 8.3839 8.3839 8.5483 8.5483 8.6099 8.6099 8.6834 8.6834 8.7360 8.7360 9.0310 9.0310 9.0748 9.0748 9.2577 9.2577 9.3173 9.3173 10.0456 10.0456 10.1218 10.1218 10.3826 10.3826 10.5652 10.5652 11.3450 11.3450 11.4033 11.4033 11.5636 11.5636 11.6475 11.6475 k = 0.3142 0.5124 0.3862 ( 9129 PWs) bands (ev): -81.1236 -81.1236 -81.1214 -81.1214 -46.8045 -46.8045 -46.7981 -46.7981 -45.0740 -45.0740 -45.0717 -45.0717 -45.0676 -45.0676 -45.0503 -45.0503 6.5965 6.5965 6.8641 6.8641 7.3492 7.3492 7.7080 7.7080 8.0733 8.0733 8.3834 8.3834 8.5381 8.5381 8.6153 8.6153 8.6863 8.6863 8.7539 8.7539 9.0021 9.0021 9.0707 9.0707 9.2430 9.2430 9.2955 9.2955 10.0962 10.0962 10.1449 10.1449 10.3954 10.3954 10.5580 10.5580 11.3276 11.3276 11.3660 11.3660 11.5412 11.5412 11.6218 11.6218 k = 0.3096 0.5050 0.4005 ( 9125 PWs) bands (ev): -81.1235 -81.1235 -81.1214 -81.1214 -46.8042 -46.8042 -46.7983 -46.7983 -45.0739 -45.0739 -45.0717 -45.0717 -45.0670 -45.0670 -45.0508 -45.0508 6.5918 6.5918 6.8518 6.8518 7.3574 7.3574 7.7094 7.7094 8.0819 8.0819 8.3842 8.3842 8.5244 8.5244 8.6233 8.6233 8.6879 8.6879 8.7715 8.7715 8.9719 8.9719 9.0681 9.0681 9.2262 9.2262 9.2762 9.2762 10.1427 10.1427 10.1733 10.1733 10.4080 10.4080 10.5507 10.5507 11.2939 11.2939 11.3318 11.3318 11.5260 11.5260 11.5974 11.5974 k = 0.3050 0.4975 0.4148 ( 9127 PWs) bands (ev): -81.1233 -81.1233 -81.1217 -81.1217 -46.8041 -46.8041 -46.7984 -46.7984 -45.0738 -45.0738 -45.0718 -45.0718 -45.0664 -45.0664 -45.0514 -45.0514 6.5893 6.5893 6.8405 6.8405 7.3672 7.3672 7.7102 7.7102 8.0915 8.0915 8.3861 8.3861 8.5078 8.5078 8.6321 8.6321 8.6885 8.6885 8.7888 8.7888 8.9421 8.9421 9.0657 9.0657 9.2072 9.2072 9.2588 9.2588 10.1789 10.1789 10.2127 10.2127 10.4202 10.4202 10.5438 10.5438 11.2534 11.2534 11.2928 11.2928 11.5151 11.5151 11.5744 11.5744 k = 0.3004 0.4900 0.4291 ( 9129 PWs) bands (ev): -81.1233 -81.1233 -81.1217 -81.1217 -46.8038 -46.8038 -46.7987 -46.7987 -45.0737 -45.0737 -45.0719 -45.0719 -45.0658 -45.0658 -45.0521 -45.0521 6.5887 6.5887 6.8302 6.8302 7.3788 7.3788 7.7103 7.7103 8.1016 8.1016 8.3889 8.3889 8.4893 8.4893 8.6396 8.6396 8.6898 8.6898 8.8059 8.8059 8.9137 8.9137 9.0628 9.0628 9.1876 9.1876 9.2427 9.2427 10.2079 10.2079 10.2592 10.2592 10.4321 10.4321 10.5370 10.5370 11.2110 11.2110 11.2480 11.2480 11.5057 11.5057 11.5529 11.5529 k = 0.2958 0.4825 0.4434 ( 9128 PWs) bands (ev): -81.1233 -81.1233 -81.1217 -81.1217 -46.8036 -46.8036 -46.7989 -46.7989 -45.0736 -45.0736 -45.0720 -45.0720 -45.0652 -45.0652 -45.0527 -45.0527 6.5902 6.5902 6.8209 6.8209 7.3920 7.3920 7.7091 7.7091 8.1125 8.1125 8.3931 8.3931 8.4696 8.4696 8.6431 8.6431 8.6939 8.6939 8.8221 8.8221 8.8879 8.8879 9.0592 9.0592 9.1683 9.1683 9.2276 9.2276 10.2355 10.2355 10.3069 10.3069 10.4436 10.4436 10.5304 10.5304 11.1681 11.1681 11.1996 11.1996 11.4956 11.4956 11.5333 11.5333 k = 0.2913 0.4751 0.4578 ( 9126 PWs) bands (ev): -81.1232 -81.1232 -81.1217 -81.1217 -46.8033 -46.8033 -46.7991 -46.7991 -45.0736 -45.0736 -45.0720 -45.0720 -45.0646 -45.0646 -45.0533 -45.0533 6.5937 6.5937 6.8123 6.8123 7.4067 7.4067 7.7065 7.7065 8.1242 8.1242 8.3978 8.3978 8.4493 8.4493 8.6402 8.6402 8.7019 8.7019 8.8366 8.8366 8.8669 8.8669 9.0548 9.0548 9.1498 9.1498 9.2127 9.2127 10.2632 10.2632 10.3535 10.3535 10.4546 10.4546 10.5249 10.5249 11.1247 11.1247 11.1500 11.1500 11.4847 11.4847 11.5155 11.5155 k = 0.2867 0.4676 0.4721 ( 9132 PWs) bands (ev): -81.1233 -81.1233 -81.1218 -81.1218 -46.8031 -46.8031 -46.7994 -46.7994 -45.0735 -45.0735 -45.0721 -45.0721 -45.0639 -45.0639 -45.0539 -45.0539 6.5993 6.5993 6.8042 6.8042 7.4230 7.4230 7.7020 7.7020 8.1368 8.1368 8.4011 8.4011 8.4303 8.4303 8.6313 8.6313 8.7125 8.7125 8.8385 8.8385 8.8612 8.8612 9.0496 9.0496 9.1326 9.1326 9.1979 9.1979 10.2908 10.2908 10.3985 10.3985 10.4655 10.4655 10.5202 10.5202 11.0804 11.0804 11.1010 11.1010 11.4730 11.4730 11.4992 11.4992 k = 0.2821 0.4601 0.4864 ( 9140 PWs) bands (ev): -81.1233 -81.1233 -81.1220 -81.1220 -46.8029 -46.8029 -46.7996 -46.7996 -45.0734 -45.0734 -45.0722 -45.0722 -45.0633 -45.0633 -45.0546 -45.0546 6.6068 6.6068 6.7964 6.7964 7.4405 7.4405 7.6953 7.6953 8.1499 8.1499 8.3943 8.3943 8.4220 8.4220 8.6178 8.6178 8.7243 8.7243 8.8266 8.8266 8.8734 8.8734 9.0438 9.0438 9.1171 9.1171 9.1832 9.1832 10.3184 10.3184 10.4409 10.4409 10.4761 10.4761 10.5170 10.5170 11.0352 11.0352 11.0545 11.0545 11.4614 11.4614 11.4846 11.4846 k = 0.2775 0.4526 0.5007 ( 9126 PWs) bands (ev): -81.1231 -81.1231 -81.1219 -81.1219 -46.8026 -46.8026 -46.7998 -46.7998 -45.0733 -45.0733 -45.0723 -45.0723 -45.0627 -45.0627 -45.0552 -45.0552 6.6164 6.6164 6.7887 6.7887 7.4594 7.4594 7.6863 7.6863 8.1641 8.1641 8.3760 8.3760 8.4269 8.4269 8.6013 8.6013 8.7362 8.7362 8.8163 8.8163 8.8881 8.8881 9.0372 9.0372 9.1042 9.1042 9.1693 9.1693 10.3455 10.3455 10.4791 10.4791 10.4870 10.4870 10.5163 10.5163 10.9904 10.9904 11.0110 11.0110 11.4508 11.4508 11.4717 11.4717 k = 0.2729 0.4451 0.5150 ( 9114 PWs) bands (ev): -81.1229 -81.1229 -81.1218 -81.1218 -46.8023 -46.8023 -46.8000 -46.8000 -45.0731 -45.0731 -45.0723 -45.0723 -45.0620 -45.0620 -45.0558 -45.0558 6.6279 6.6279 6.7805 6.7805 7.4793 7.4793 7.6749 7.6749 8.1791 8.1791 8.3550 8.3550 8.4354 8.4354 8.5826 8.5826 8.7473 8.7473 8.8088 8.8088 8.9029 8.9029 9.0300 9.0300 9.0935 9.0935 9.1558 9.1558 10.3716 10.3716 10.4952 10.4952 10.5078 10.5078 10.5251 10.5251 10.9480 10.9480 10.9703 10.9703 11.4415 11.4415 11.4602 11.4602 k = 0.2683 0.4377 0.5293 ( 9106 PWs) bands (ev): -81.1227 -81.1227 -81.1218 -81.1218 -46.8020 -46.8020 -46.8002 -46.8002 -45.0730 -45.0730 -45.0724 -45.0724 -45.0614 -45.0614 -45.0564 -45.0564 6.6413 6.6413 6.7714 6.7714 7.5000 7.5000 7.6607 7.6607 8.1947 8.1947 8.3338 8.3338 8.4454 8.4454 8.5632 8.5632 8.7568 8.7568 8.8037 8.8037 8.9177 8.9177 9.0220 9.0220 9.0856 9.0856 9.1426 9.1426 10.3963 10.3963 10.5006 10.5006 10.5175 10.5175 10.5512 10.5512 10.9100 10.9100 10.9326 10.9326 11.4339 11.4339 11.4502 11.4502 k = 0.2638 0.4302 0.5436 ( 9110 PWs) bands (ev): -81.1226 -81.1226 -81.1220 -81.1220 -46.8018 -46.8018 -46.8004 -46.8004 -45.0730 -45.0730 -45.0725 -45.0725 -45.0608 -45.0608 -45.0570 -45.0570 6.6566 6.6566 6.7608 6.7608 7.5213 7.5213 7.6441 7.6441 8.2106 8.2106 8.3131 8.3131 8.4565 8.4565 8.5437 8.5437 8.7646 8.7646 8.7994 8.7994 8.9322 8.9322 9.0126 9.0126 9.0810 9.0810 9.1298 9.1298 10.4189 10.4189 10.5007 10.5007 10.5287 10.5287 10.5739 10.5739 10.8788 10.8788 10.8990 10.8990 11.4283 11.4283 11.4416 11.4416 k = 0.2592 0.4227 0.5579 ( 9114 PWs) bands (ev): -81.1225 -81.1225 -81.1222 -81.1222 -46.8016 -46.8016 -46.8007 -46.8007 -45.0729 -45.0729 -45.0726 -45.0726 -45.0602 -45.0602 -45.0576 -45.0576 6.6738 6.6738 6.7481 6.7481 7.5428 7.5428 7.6255 7.6255 8.2265 8.2265 8.2933 8.2933 8.4684 8.4684 8.5253 8.5253 8.7714 8.7714 8.7953 8.7953 8.9467 8.9467 9.0018 9.0018 9.0808 9.0808 9.1176 9.1176 10.4394 10.4394 10.4967 10.4967 10.5424 10.5424 10.5872 10.5872 10.8565 10.8565 10.8717 10.8717 11.4248 11.4248 11.4344 11.4344 k = 0.2546 0.4152 0.5722 ( 9126 PWs) bands (ev): -81.1225 -81.1225 -81.1224 -81.1224 -46.8014 -46.8014 -46.8009 -46.8009 -45.0728 -45.0728 -45.0727 -45.0727 -45.0596 -45.0596 -45.0583 -45.0583 6.6926 6.6926 6.7325 6.7325 7.5641 7.5641 7.6055 7.6055 8.2425 8.2425 8.2750 8.2750 8.4808 8.4808 8.5086 8.5086 8.7777 8.7777 8.7901 8.7901 8.9610 8.9610 8.9892 8.9892 9.0852 9.0852 9.1056 9.1056 10.4579 10.4579 10.4881 10.4881 10.5581 10.5581 10.5883 10.5883 10.8447 10.8447 10.8531 10.8531 11.4236 11.4236 11.4289 11.4289 k = 0.2500 0.4078 0.5865 ( 9132 PWs) bands (ev): -81.1226 -81.1226 -81.1226 -81.1226 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0590 -45.0590 -45.0590 -45.0590 6.7132 6.7132 6.7132 6.7132 7.5850 7.5850 7.5850 7.5850 8.2583 8.2583 8.2583 8.2583 8.4937 8.4937 8.4937 8.4937 8.7843 8.7843 8.7843 8.7843 8.9754 8.9754 8.9754 8.9754 9.0939 9.0939 9.0939 9.0939 10.4747 10.4747 10.4747 10.4747 10.5759 10.5759 10.5759 10.5759 10.8438 10.8438 10.8438 10.8438 11.4250 11.4250 11.4250 11.4250 k = 0.2500 0.4078 0.5865 ( 9132 PWs) bands (ev): -81.1226 -81.1226 -81.1226 -81.1226 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0590 -45.0590 -45.0590 -45.0590 6.7132 6.7132 6.7132 6.7132 7.5850 7.5850 7.5850 7.5850 8.2583 8.2583 8.2583 8.2583 8.4937 8.4937 8.4937 8.4937 8.7843 8.7843 8.7843 8.7843 8.9754 8.9754 8.9754 8.9754 9.0939 9.0939 9.0939 9.0939 10.4747 10.4747 10.4747 10.4747 10.5759 10.5759 10.5759 10.5759 10.8438 10.8438 10.8438 10.8438 11.4250 11.4250 11.4250 11.4250 k = 0.2400 0.4139 0.5748 ( 9126 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.7118 6.7118 6.7127 6.7127 7.5844 7.5844 7.5862 7.5862 8.2588 8.2588 8.2599 8.2599 8.4939 8.4939 8.4939 8.4939 8.7804 8.7804 8.7855 8.7855 8.9748 8.9748 8.9756 8.9756 9.0934 9.0934 9.0981 9.0981 10.4724 10.4724 10.4727 10.4727 10.5722 10.5722 10.5730 10.5730 10.8485 10.8485 10.8522 10.8522 11.4243 11.4243 11.4276 11.4276 k = 0.2300 0.4200 0.5630 ( 9120 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0727 -45.0727 -45.0727 -45.0727 -45.0589 -45.0589 -45.0589 -45.0589 6.7086 6.7086 6.7103 6.7103 7.5846 7.5846 7.5880 7.5880 8.2607 8.2607 8.2630 8.2630 8.4941 8.4941 8.4943 8.4943 8.7748 8.7748 8.7846 8.7846 8.9735 8.9735 8.9753 8.9753 9.0959 9.0959 9.1051 9.1051 10.4650 10.4650 10.4659 10.4659 10.5640 10.5640 10.5665 10.5665 10.8647 10.8647 10.8715 10.8715 11.4247 11.4247 11.4314 11.4314 k = 0.2200 0.4262 0.5513 ( 9116 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0727 -45.0727 -45.0727 -45.0727 -45.0589 -45.0589 -45.0589 -45.0589 6.7036 6.7036 6.7061 6.7061 7.5855 7.5855 7.5905 7.5905 8.2642 8.2642 8.2676 8.2676 8.4943 8.4943 8.4946 8.4946 8.7675 8.7675 8.7813 8.7813 8.9718 8.9718 8.9750 8.9750 9.1011 9.1011 9.1146 9.1146 10.4507 10.4507 10.4525 10.4525 10.5562 10.5562 10.5612 10.5612 10.8890 10.8890 10.8981 10.8981 11.4266 11.4266 11.4365 11.4365 k = 0.2100 0.4323 0.5396 ( 9112 PWs) bands (ev): -81.1223 -81.1223 -81.1223 -81.1223 -46.8011 -46.8011 -46.8011 -46.8011 -45.0727 -45.0727 -45.0727 -45.0727 -45.0589 -45.0589 -45.0589 -45.0589 6.6969 6.6969 6.7001 6.7001 7.5872 7.5872 7.5936 7.5936 8.2689 8.2689 8.2736 8.2736 8.4946 8.4946 8.4953 8.4953 8.7586 8.7586 8.7755 8.7755 8.9697 8.9697 8.9746 8.9746 9.1088 9.1088 9.1261 9.1261 10.4295 10.4295 10.4317 10.4317 10.5526 10.5526 10.5602 10.5602 10.9184 10.9184 10.9293 10.9293 11.4300 11.4300 11.4431 11.4431 k = 0.2000 0.4384 0.5278 ( 9114 PWs) bands (ev): -81.1223 -81.1223 -81.1223 -81.1223 -46.8011 -46.8011 -46.8011 -46.8011 -45.0727 -45.0727 -45.0727 -45.0727 -45.0589 -45.0589 -45.0589 -45.0589 6.6887 6.6887 6.6925 6.6925 7.5899 7.5899 7.5976 7.5976 8.2739 8.2739 8.2800 8.2800 8.4950 8.4950 8.4963 8.4963 8.7490 8.7490 8.7678 8.7678 8.9677 8.9677 8.9747 8.9747 9.1182 9.1182 9.1390 9.1390 10.4035 10.4035 10.4054 10.4054 10.5535 10.5535 10.5635 10.5635 10.9503 10.9503 10.9625 10.9625 11.4346 11.4346 11.4508 11.4508 k = 0.1900 0.4445 0.5161 ( 9124 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.6790 6.6790 6.6833 6.6833 7.5935 7.5935 7.6022 7.6022 8.2792 8.2792 8.2866 8.2866 8.4954 8.4954 8.4975 8.4975 8.7387 8.7387 8.7583 8.7583 8.9657 8.9657 8.9753 8.9753 9.1288 9.1288 9.1528 9.1528 10.3750 10.3750 10.3762 10.3762 10.5577 10.5577 10.5697 10.5697 10.9831 10.9831 10.9962 10.9962 11.4408 11.4408 11.4598 11.4598 k = 0.1800 0.4507 0.5044 ( 9122 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.6683 6.6683 6.6730 6.6730 7.5982 7.5982 7.6078 7.6078 8.2845 8.2845 8.2932 8.2932 8.4961 8.4961 8.4992 8.4992 8.7286 8.7286 8.7481 8.7481 8.9640 8.9640 8.9763 8.9763 9.1407 9.1407 9.1674 9.1674 10.3462 10.3462 10.3463 10.3463 10.5640 10.5640 10.5777 10.5777 11.0160 11.0160 11.0295 11.0295 11.4487 11.4487 11.4703 11.4703 k = 0.1700 0.4568 0.4927 ( 9126 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.6565 6.6565 6.6615 6.6615 7.6041 7.6041 7.6143 7.6143 8.2892 8.2892 8.2992 8.2992 8.4964 8.4964 8.5009 8.5009 8.7190 8.7190 8.7375 8.7375 8.9624 8.9624 8.9774 8.9774 9.1532 9.1532 9.1823 9.1823 10.3171 10.3171 10.3183 10.3183 10.5713 10.5713 10.5867 10.5867 11.0479 11.0479 11.0615 11.0615 11.4580 11.4580 11.4819 11.4819 k = 0.1600 0.4629 0.4809 ( 9122 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.6441 6.6441 6.6492 6.6492 7.6111 7.6111 7.6218 7.6218 8.2934 8.2934 8.3044 8.3044 8.4966 8.4966 8.5026 8.5026 8.7103 8.7103 8.7271 8.7271 8.9609 8.9609 8.9786 8.9786 9.1664 9.1664 9.1974 9.1974 10.2898 10.2898 10.2923 10.2923 10.5788 10.5788 10.5957 10.5957 11.0786 11.0786 11.0918 11.0918 11.4693 11.4693 11.4948 11.4948 k = 0.1500 0.4691 0.4692 ( 9124 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.6311 6.6311 6.6362 6.6362 7.6192 7.6192 7.6302 7.6302 8.2966 8.2966 8.3084 8.3084 8.4959 8.4959 8.5036 8.5036 8.7028 8.7028 8.7174 8.7174 8.9597 8.9597 8.9795 8.9795 9.1797 9.1797 9.2123 9.2123 10.2652 10.2652 10.2690 10.2690 10.5859 10.5859 10.6041 10.6041 11.1073 11.1073 11.1197 11.1197 11.4817 11.4817 11.5084 11.5084 k = 0.1400 0.4752 0.4575 ( 9118 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0727 -45.0727 -45.0727 -45.0727 -45.0589 -45.0589 -45.0589 -45.0589 6.6178 6.6178 6.6229 6.6229 7.6284 7.6284 7.6394 7.6394 8.2989 8.2989 8.3112 8.3112 8.4943 8.4943 8.5037 8.5037 8.6973 8.6973 8.7091 8.7091 8.9586 8.9586 8.9802 8.9802 9.1932 9.1932 9.2267 9.2267 10.2441 10.2441 10.2492 10.2492 10.5920 10.5920 10.6113 10.6113 11.1340 11.1340 11.1451 11.1451 11.4954 11.4954 11.5226 11.5226 k = 0.1300 0.4813 0.4457 ( 9122 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.6044 6.6044 6.6094 6.6094 7.6384 7.6384 7.6494 7.6494 8.3003 8.3003 8.3128 8.3128 8.4913 8.4913 8.5024 8.5024 8.6930 8.6930 8.7018 8.7018 8.9576 8.9576 8.9805 8.9805 9.2065 9.2065 9.2404 9.2404 10.2269 10.2269 10.2331 10.2331 10.5964 10.5964 10.6166 10.6166 11.1584 11.1584 11.1678 11.1678 11.5098 11.5098 11.5369 11.5369 k = 0.1200 0.4875 0.4340 ( 9124 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5911 6.5911 6.5960 6.5960 7.6493 7.6493 7.6601 7.6601 8.3009 8.3009 8.3135 8.3135 8.4869 8.4869 8.4995 8.4995 8.6904 8.6904 8.6963 8.6963 8.9566 8.9566 8.9803 8.9803 9.2193 9.2193 9.2531 9.2531 10.2142 10.2142 10.2213 10.2213 10.5986 10.5986 10.6194 10.6194 11.1806 11.1806 11.1880 11.1880 11.5246 11.5246 11.5510 11.5510 k = 0.1100 0.4936 0.4223 ( 9126 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5782 6.5782 6.5828 6.5828 7.6607 7.6607 7.6712 7.6712 8.3007 8.3007 8.3131 8.3131 8.4814 8.4814 8.4951 8.4951 8.6891 8.6891 8.6923 8.6923 8.9560 8.9560 8.9798 8.9798 9.2314 9.2314 9.2645 9.2645 10.2063 10.2063 10.2140 10.2140 10.5984 10.5984 10.6194 10.6194 11.2004 11.2004 11.2057 11.2057 11.5392 11.5392 11.5643 11.5643 k = 0.1000 0.4997 0.4105 ( 9134 PWs) bands (ev): -81.1226 -81.1226 -81.1226 -81.1226 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5657 6.5657 6.5701 6.5701 7.6726 7.6726 7.6826 7.6826 8.3002 8.3002 8.3121 8.3121 8.4749 8.4749 8.4892 8.4892 8.6882 8.6882 8.6892 8.6892 8.9556 8.9556 8.9788 8.9788 9.2428 9.2428 9.2746 9.2746 10.2033 10.2033 10.2114 10.2114 10.5951 10.5951 10.6161 10.6161 11.2180 11.2180 11.2211 11.2211 11.5531 11.5531 11.5764 11.5764 k = 0.0900 0.5059 0.3988 ( 9130 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5540 6.5540 6.5580 6.5580 7.6847 7.6847 7.6942 7.6942 8.2995 8.2995 8.3107 8.3107 8.4680 8.4680 8.4824 8.4824 8.6870 8.6870 8.6876 8.6876 8.9556 8.9556 8.9778 8.9778 9.2535 9.2535 9.2834 9.2834 10.2053 10.2053 10.2134 10.2134 10.5889 10.5889 10.6095 10.6095 11.2335 11.2335 11.2347 11.2347 11.5660 11.5660 11.5871 11.5871 k = 0.0800 0.5120 0.3871 ( 9120 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5432 6.5432 6.5468 6.5468 7.6969 7.6969 7.7056 7.7056 8.2987 8.2987 8.3090 8.3090 8.4610 8.4610 8.4750 8.4750 8.6854 8.6854 8.6871 8.6871 8.9561 8.9561 8.9768 8.9768 9.2634 9.2634 9.2910 9.2910 10.2123 10.2123 10.2199 10.2199 10.5794 10.5794 10.5993 10.5993 11.2465 11.2465 11.2469 11.2469 11.5775 11.5775 11.5962 11.5962 k = 0.0700 0.5181 0.3754 ( 9118 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0727 -45.0727 -45.0727 -45.0727 -45.0589 -45.0589 -45.0589 -45.0589 6.5333 6.5333 6.5365 6.5365 7.7086 7.7086 7.7166 7.7166 8.2977 8.2977 8.3070 8.3070 8.4541 8.4541 8.4672 8.4672 8.6837 8.6837 8.6861 8.6861 8.9570 8.9570 8.9756 8.9756 9.2721 9.2721 9.2969 9.2969 10.2237 10.2237 10.2306 10.2306 10.5668 10.5668 10.5855 10.5855 11.2567 11.2567 11.2584 11.2584 11.5874 11.5874 11.6034 11.6034 k = 0.0600 0.5242 0.3636 ( 9120 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5245 6.5245 6.5273 6.5273 7.7197 7.7197 7.7268 7.7268 8.2968 8.2968 8.3049 8.3049 8.4475 8.4475 8.4595 8.4595 8.6819 8.6819 8.6846 8.6846 8.9581 8.9581 8.9743 8.9743 9.2797 9.2797 9.3014 9.3014 10.2392 10.2392 10.2450 10.2450 10.5511 10.5511 10.5684 10.5684 11.2655 11.2655 11.2681 11.2681 11.5955 11.5955 11.6090 11.6090 k = 0.0500 0.5304 0.3519 ( 9128 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5169 6.5169 6.5192 6.5192 7.7298 7.7298 7.7359 7.7359 8.2959 8.2959 8.3028 8.3028 8.4417 8.4417 8.4521 8.4521 8.6801 8.6801 8.6827 8.6827 8.9593 8.9593 8.9730 8.9730 9.2862 9.2862 9.3045 9.3045 10.2581 10.2581 10.2626 10.2626 10.5328 10.5328 10.5483 10.5483 11.2730 11.2730 11.2760 11.2760 11.6021 11.6021 11.6130 11.6130 k = 0.0400 0.5365 0.3402 ( 9132 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5106 6.5106 6.5125 6.5125 7.7387 7.7387 7.7437 7.7437 8.2953 8.2953 8.3008 8.3008 8.4369 8.4369 8.4456 8.4456 8.6783 8.6783 8.6806 8.6806 8.9607 8.9607 8.9717 8.9717 9.2918 9.2918 9.3065 9.3065 10.2797 10.2797 10.2827 10.2827 10.5125 10.5125 10.5260 10.5260 11.2793 11.2793 11.2822 11.2822 11.6073 11.6073 11.6157 11.6157 k = 0.0300 0.5426 0.3284 ( 9128 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5057 6.5057 6.5071 6.5071 7.7462 7.7462 7.7501 7.7501 8.2950 8.2950 8.2992 8.2992 8.4333 8.4333 8.4400 8.4400 8.6769 8.6769 8.6788 8.6788 8.9622 8.9622 8.9705 8.9705 9.2967 9.2967 9.3078 9.3078 10.3028 10.3028 10.3043 10.3043 10.4912 10.4912 10.5024 10.5024 11.2843 11.2843 11.2869 11.2869 11.6114 11.6114 11.6176 11.6176 k = 0.0200 0.5488 0.3167 ( 9122 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5023 6.5023 6.5032 6.5032 7.7519 7.7519 7.7546 7.7546 8.2950 8.2950 8.2978 8.2978 8.4312 8.4312 8.4357 8.4357 8.6759 8.6759 8.6772 8.6772 8.9640 8.9640 8.9695 8.9695 9.3006 9.3006 9.3081 9.3081 10.3257 10.3257 10.3258 10.3258 10.4703 10.4703 10.4789 10.4789 11.2881 11.2881 11.2900 11.2900 11.6145 11.6145 11.6185 11.6185 k = 0.0100 0.5549 0.3050 ( 9124 PWs) bands (ev): -81.1224 -81.1224 -81.1224 -81.1224 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.5003 6.5003 6.5007 6.5007 7.7557 7.7557 7.7570 7.7570 8.2952 8.2952 8.2966 8.2966 8.4301 8.4301 8.4324 8.4324 8.6752 8.6752 8.6758 8.6758 8.9654 8.9654 8.9682 8.9682 9.3037 9.3037 9.3075 9.3075 10.3439 10.3439 10.3446 10.3446 10.4535 10.4535 10.4585 10.4585 11.2906 11.2906 11.2916 11.2916 11.6166 11.6166 11.6186 11.6186 k = 0.0000 0.5610 0.2932 ( 9128 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.4997 6.4997 6.4997 6.4997 7.7574 7.7574 7.7574 7.7574 8.2957 8.2957 8.2957 8.2957 8.4305 8.4305 8.4305 8.4305 8.6751 8.6751 8.6752 8.6752 8.9668 8.9668 8.9668 8.9668 9.3059 9.3059 9.3059 9.3059 10.3522 10.3522 10.3522 10.3522 10.4480 10.4480 10.4480 10.4480 11.2918 11.2918 11.2918 11.2918 11.6180 11.6180 11.6180 11.6180 k = 0.0000 0.5610 0.2932 ( 9128 PWs) bands (ev): -81.1225 -81.1225 -81.1225 -81.1225 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0589 -45.0589 -45.0589 -45.0589 6.4997 6.4997 6.4997 6.4997 7.7574 7.7574 7.7574 7.7574 8.2957 8.2957 8.2957 8.2957 8.4305 8.4305 8.4305 8.4305 8.6751 8.6751 8.6752 8.6752 8.9668 8.9668 8.9668 8.9668 9.3059 9.3059 9.3059 9.3059 10.3522 10.3522 10.3522 10.3522 10.4480 10.4480 10.4480 10.4480 11.2918 11.2918 11.2918 11.2918 11.6180 11.6180 11.6180 11.6180 k =-0.0133 0.5564 0.3021 ( 9124 PWs) bands (ev): -81.1226 -81.1226 -81.1223 -81.1223 -46.8015 -46.8015 -46.8009 -46.8009 -45.0729 -45.0729 -45.0727 -45.0727 -45.0597 -45.0597 -45.0581 -45.0581 6.4976 6.4976 6.5044 6.5044 7.7489 7.7489 7.7648 7.7648 8.2944 8.2944 8.2963 8.2963 8.4254 8.4254 8.4377 8.4377 8.6608 8.6608 8.6915 8.6915 8.9432 8.9432 8.9897 8.9897 9.2969 9.2969 9.3161 9.3161 10.3031 10.3031 10.3906 10.3906 10.4324 10.4324 10.4712 10.4712 11.2347 11.2347 11.3491 11.3491 11.6078 11.6078 11.6299 11.6299 k =-0.0265 0.5517 0.3110 ( 9120 PWs) bands (ev): -81.1226 -81.1226 -81.1221 -81.1221 -46.8017 -46.8017 -46.8006 -46.8006 -45.0730 -45.0730 -45.0725 -45.0725 -45.0605 -45.0605 -45.0573 -45.0573 6.4981 6.4981 6.5116 6.5116 7.7396 7.7396 7.7709 7.7709 8.2918 8.2918 8.2961 8.2961 8.4219 8.4219 8.4461 8.4461 8.6485 8.6485 8.7095 8.7095 8.9192 8.9192 9.0114 9.0114 9.2897 9.2897 9.3278 9.3278 10.2502 10.2502 10.3892 10.3892 10.4515 10.4515 10.4959 10.4959 11.1795 11.1795 11.4054 11.4054 11.5993 11.5993 11.6431 11.6431 k =-0.0398 0.5471 0.3199 ( 9119 PWs) bands (ev): -81.1227 -81.1227 -81.1220 -81.1220 -46.8020 -46.8020 -46.8003 -46.8003 -45.0731 -45.0731 -45.0724 -45.0724 -45.0613 -45.0613 -45.0565 -45.0565 6.5012 6.5012 6.5212 6.5212 7.7296 7.7296 7.7756 7.7756 8.2878 8.2878 8.2956 8.2956 8.4205 8.4205 8.4561 8.4561 8.6384 8.6384 8.7289 8.7289 8.8949 8.8949 9.0311 9.0311 9.2843 9.2843 9.3403 9.3403 10.1952 10.1952 10.3692 10.3692 10.4822 10.4822 10.5214 10.5214 11.1281 11.1281 11.4593 11.4593 11.5933 11.5933 11.6573 11.6573 k =-0.0531 0.5425 0.3288 ( 9115 PWs) bands (ev): -81.1227 -81.1227 -81.1219 -81.1219 -46.8023 -46.8023 -46.8000 -46.8000 -45.0732 -45.0732 -45.0723 -45.0723 -45.0621 -45.0621 -45.0557 -45.0557 6.5068 6.5068 6.5333 6.5333 7.7190 7.7190 7.7787 7.7787 8.2825 8.2825 8.2951 8.2951 8.4205 8.4205 8.4672 8.4672 8.6303 8.6303 8.7497 8.7497 8.8710 8.8710 9.0486 9.0486 9.2814 9.2814 9.3538 9.3538 10.1394 10.1394 10.3473 10.3473 10.5052 10.5052 10.5475 10.5475 11.0828 11.0828 11.5096 11.5096 11.5904 11.5904 11.6727 11.6727 k =-0.0664 0.5378 0.3377 ( 9117 PWs) bands (ev): -81.1229 -81.1229 -81.1218 -81.1218 -46.8026 -46.8026 -46.7997 -46.7997 -45.0733 -45.0733 -45.0722 -45.0722 -45.0629 -45.0629 -45.0550 -45.0550 6.5149 6.5149 6.5478 6.5478 7.7081 7.7081 7.7803 7.7803 8.2755 8.2755 8.2948 8.2948 8.4218 8.4218 8.4790 8.4790 8.6243 8.6243 8.7712 8.7712 8.8478 8.8478 9.0630 9.0630 9.2812 9.2812 9.3678 9.3678 10.0834 10.0834 10.3251 10.3251 10.5167 10.5167 10.5736 10.5736 11.0459 11.0459 11.5543 11.5543 11.5917 11.5917 11.6893 11.6893 k =-0.0796 0.5332 0.3466 ( 9104 PWs) bands (ev): -81.1228 -81.1228 -81.1215 -81.1215 -46.8029 -46.8029 -46.7994 -46.7994 -45.0734 -45.0734 -45.0721 -45.0721 -45.0636 -45.0636 -45.0542 -45.0542 6.5256 6.5256 6.5646 6.5646 7.6973 7.6973 7.7804 7.7804 8.2674 8.2674 8.2950 8.2950 8.4243 8.4243 8.4919 8.4919 8.6205 8.6205 8.7920 8.7920 8.8271 8.8271 9.0746 9.0746 9.2841 9.2841 9.3829 9.3829 10.0282 10.0282 10.3027 10.3027 10.5150 10.5150 10.6000 10.6000 11.0194 11.0194 11.5861 11.5861 11.6037 11.6037 11.7077 11.7077 k =-0.0929 0.5285 0.3555 ( 9110 PWs) bands (ev): -81.1231 -81.1231 -81.1214 -81.1214 -46.8032 -46.8032 -46.7992 -46.7992 -45.0736 -45.0736 -45.0720 -45.0720 -45.0644 -45.0644 -45.0535 -45.0535 6.5388 6.5388 6.5836 6.5836 7.6864 7.6864 7.7789 7.7789 8.2577 8.2577 8.2956 8.2956 8.4274 8.4274 8.5048 8.5048 8.6187 8.6187 8.7962 8.7962 8.8233 8.8233 9.0825 9.0825 9.2896 9.2896 9.3978 9.3978 9.9741 9.9741 10.2796 10.2796 10.5004 10.5004 10.6259 10.6259 11.0030 11.0030 11.5992 11.5992 11.6305 11.6305 11.7289 11.7289 k =-0.1062 0.5239 0.3643 ( 9102 PWs) bands (ev): -81.1230 -81.1230 -81.1213 -81.1213 -46.8034 -46.8034 -46.7989 -46.7989 -45.0736 -45.0736 -45.0719 -45.0719 -45.0651 -45.0651 -45.0527 -45.0527 6.5544 6.5544 6.6047 6.6047 7.6759 7.6759 7.7761 7.7761 8.2471 8.2471 8.2970 8.2970 8.4313 8.4313 8.5178 8.5178 8.6188 8.6188 8.7782 8.7782 8.8437 8.8437 9.0875 9.0875 9.2979 9.2979 9.4131 9.4131 9.9224 9.9224 10.2549 10.2549 10.4760 10.4760 10.6516 10.6516 10.9949 10.9949 11.6126 11.6126 11.6531 11.6531 11.7530 11.7530 k =-0.1194 0.5192 0.3732 ( 9104 PWs) bands (ev): -81.1232 -81.1232 -81.1212 -81.1212 -46.8037 -46.8037 -46.7986 -46.7986 -45.0738 -45.0738 -45.0718 -45.0718 -45.0659 -45.0659 -45.0519 -45.0519 6.5724 6.5724 6.6279 6.6279 7.6656 7.6656 7.7721 7.7721 8.2347 8.2347 8.2989 8.2989 8.4354 8.4354 8.5307 8.5307 8.6203 8.6203 8.7587 8.7587 8.8664 8.8664 9.0902 9.0902 9.3080 9.3080 9.4278 9.4278 9.8736 9.8736 10.2275 10.2275 10.4462 10.4462 10.6765 10.6765 10.9922 10.9922 11.6297 11.6297 11.6688 11.6688 11.7780 11.7780 k =-0.1327 0.5146 0.3821 ( 9098 PWs) bands (ev): -81.1233 -81.1233 -81.1209 -81.1209 -46.8040 -46.8040 -46.7983 -46.7983 -45.0739 -45.0739 -45.0717 -45.0717 -45.0666 -45.0666 -45.0512 -45.0512 6.5927 6.5927 6.6531 6.6531 7.6559 7.6559 7.7673 7.7673 8.2211 8.2211 8.3014 8.3014 8.4399 8.4399 8.5430 8.5430 8.6236 8.6236 8.7404 8.7404 8.8892 8.8892 9.0912 9.0912 9.3188 9.3188 9.4414 9.4414 9.8293 9.8293 10.1960 10.1960 10.4158 10.4158 10.7008 10.7008 10.9921 10.9921 11.6506 11.6506 11.6793 11.6793 11.8029 11.8029 k =-0.1460 0.5099 0.3910 ( 9101 PWs) bands (ev): -81.1233 -81.1233 -81.1209 -81.1209 -46.8043 -46.8043 -46.7981 -46.7981 -45.0740 -45.0740 -45.0716 -45.0716 -45.0674 -45.0674 -45.0505 -45.0505 6.6152 6.6152 6.6801 6.6801 7.6469 7.6469 7.7616 7.7616 8.2058 8.2058 8.3045 8.3045 8.4440 8.4440 8.5541 8.5541 8.6279 8.6279 8.7236 8.7236 8.9114 8.9114 9.0912 9.0912 9.3300 9.3300 9.4525 9.4525 9.7908 9.7908 10.1594 10.1594 10.3886 10.3886 10.7237 10.7237 10.9925 10.9925 11.6730 11.6730 11.6872 11.6872 11.8262 11.8262 k =-0.1593 0.5053 0.3999 ( 9108 PWs) bands (ev): -81.1237 -81.1237 -81.1208 -81.1208 -46.8046 -46.8046 -46.7979 -46.7979 -45.0742 -45.0742 -45.0715 -45.0715 -45.0681 -45.0681 -45.0498 -45.0498 6.6397 6.6397 6.7087 6.7087 7.6385 7.6385 7.7555 7.7555 8.1884 8.1884 8.3080 8.3080 8.4485 8.4485 8.5638 8.5638 8.6337 8.6337 8.7087 8.7087 8.9326 8.9326 9.0908 9.0908 9.3407 9.3407 9.4591 9.4591 9.7602 9.7602 10.1178 10.1178 10.3667 10.3667 10.7443 10.7443 10.9926 10.9926 11.6847 11.6847 11.7058 11.7058 11.8477 11.8477 k =-0.1725 0.5007 0.4088 ( 9114 PWs) bands (ev): -81.1238 -81.1238 -81.1208 -81.1208 -46.8049 -46.8049 -46.7977 -46.7977 -45.0743 -45.0743 -45.0714 -45.0714 -45.0689 -45.0689 -45.0491 -45.0491 6.6663 6.6663 6.7389 6.7389 7.6309 7.6309 7.7491 7.7491 8.1695 8.1695 8.3120 8.3120 8.4529 8.4529 8.5714 8.5714 8.6398 8.6398 8.6957 8.6957 8.9530 8.9530 9.0905 9.0905 9.3504 9.3504 9.4600 9.4600 9.7401 9.7401 10.0724 10.0724 10.3503 10.3503 10.7627 10.7627 10.9917 10.9917 11.6866 11.6866 11.7336 11.7336 11.8677 11.8677 k =-0.1858 0.4960 0.4177 ( 9125 PWs) bands (ev): -81.1240 -81.1240 -81.1209 -81.1209 -46.8052 -46.8052 -46.7975 -46.7975 -45.0744 -45.0744 -45.0714 -45.0714 -45.0696 -45.0696 -45.0484 -45.0484 6.6947 6.6947 6.7705 6.7705 7.6242 7.6242 7.7424 7.7424 8.1488 8.1488 8.3165 8.3165 8.4573 8.4573 8.5770 8.5770 8.6453 8.6453 8.6856 8.6856 8.9717 8.9717 9.0906 9.0906 9.3586 9.3586 9.4537 9.4537 9.7316 9.7316 10.0252 10.0252 10.3389 10.3389 10.7777 10.7777 10.9895 10.9895 11.6869 11.6870 11.7629 11.7629 11.8862 11.8862 k =-0.1991 0.4914 0.4265 ( 9123 PWs) bands (ev): -81.1239 -81.1239 -81.1209 -81.1209 -46.8055 -46.8055 -46.7972 -46.7972 -45.0745 -45.0745 -45.0713 -45.0713 -45.0703 -45.0703 -45.0477 -45.0477 6.7247 6.7247 6.8034 6.8034 7.6183 7.6183 7.7359 7.7359 8.1262 8.1262 8.3218 8.3218 8.4619 8.4619 8.5808 8.5808 8.6481 8.6481 8.6806 8.6806 8.9894 8.9894 9.0913 9.0913 9.3651 9.3651 9.4418 9.4418 9.7344 9.7344 9.9782 9.9782 10.3313 10.3313 10.7889 10.7889 10.9865 10.9865 11.6876 11.6876 11.7925 11.7925 11.9037 11.9037 k =-0.2123 0.4867 0.4354 ( 9125 PWs) bands (ev): -81.1242 -81.1242 -81.1207 -81.1207 -46.8058 -46.8058 -46.7970 -46.7970 -45.0747 -45.0747 -45.0713 -45.0713 -45.0709 -45.0709 -45.0471 -45.0471 6.7562 6.7562 6.8374 6.8374 7.6135 7.6135 7.7294 7.7294 8.1016 8.1016 8.3274 8.3274 8.4665 8.4665 8.5830 8.5830 8.6460 8.6460 8.6824 8.6824 9.0049 9.0049 9.0926 9.0926 9.3684 9.3684 9.4265 9.4265 9.7465 9.7465 9.9330 9.9330 10.3264 10.3264 10.7950 10.7950 10.9826 10.9826 11.6899 11.6899 11.8208 11.8208 11.9202 11.9202 k =-0.2256 0.4821 0.4443 ( 9131 PWs) bands (ev): -81.1245 -81.1245 -81.1206 -81.1206 -46.8060 -46.8060 -46.7968 -46.7968 -45.0749 -45.0749 -45.0718 -45.0718 -45.0711 -45.0711 -45.0465 -45.0465 6.7890 6.7890 6.8724 6.8724 7.6096 7.6096 7.7229 7.7229 8.0751 8.0751 8.3333 8.3333 8.4713 8.4713 8.5838 8.5838 8.6407 8.6407 8.6880 8.6880 9.0184 9.0184 9.0938 9.0938 9.3670 9.3670 9.4121 9.4121 9.7657 9.7657 9.8912 9.8912 10.3232 10.3232 10.7956 10.7956 10.9779 10.9779 11.6952 11.6952 11.8472 11.8472 11.9361 11.9361 k =-0.2389 0.4774 0.4532 ( 9124 PWs) bands (ev): -81.1244 -81.1244 -81.1205 -81.1205 -46.8063 -46.8063 -46.7966 -46.7966 -45.0750 -45.0750 -45.0724 -45.0724 -45.0710 -45.0710 -45.0458 -45.0458 6.8228 6.8228 6.9081 6.9081 7.6068 7.6068 7.7167 7.7167 8.0471 8.0471 8.3398 8.3398 8.4764 8.4764 8.5837 8.5837 8.6347 8.6347 8.6948 8.6948 9.0300 9.0300 9.0952 9.0952 9.3603 9.3603 9.4023 9.4023 9.7901 9.7901 9.8542 9.8542 10.3215 10.3215 10.7903 10.7903 10.9727 10.9727 11.7045 11.7045 11.8711 11.8711 11.9514 11.9514 k =-0.2522 0.4728 0.4621 ( 9124 PWs) bands (ev): -81.1245 -81.1245 -81.1204 -81.1204 -46.8065 -46.8065 -46.7964 -46.7964 -45.0751 -45.0751 -45.0730 -45.0730 -45.0710 -45.0710 -45.0452 -45.0452 6.8574 6.8574 6.9444 6.9444 7.6051 7.6051 7.7106 7.7106 8.0176 8.0176 8.3466 8.3466 8.4817 8.4817 8.5827 8.5827 8.6286 8.6286 8.7013 8.7013 9.0388 9.0388 9.0960 9.0960 9.3495 9.3495 9.3959 9.3959 9.8172 9.8172 9.8239 9.8239 10.3201 10.3201 10.7787 10.7787 10.9668 10.9668 11.7185 11.7185 11.8926 11.8926 11.9660 11.9660 k =-0.2654 0.4681 0.4710 ( 9111 PWs) bands (ev): -81.1243 -81.1243 -81.1202 -81.1202 -46.8068 -46.8068 -46.7961 -46.7961 -45.0751 -45.0751 -45.0736 -45.0736 -45.0709 -45.0709 -45.0445 -45.0445 6.8926 6.8926 6.9811 6.9811 7.6046 7.6046 7.7046 7.7046 7.9868 7.9868 8.3540 8.3540 8.4873 8.4873 8.5815 8.5815 8.6232 8.6232 8.7066 8.7066 9.0455 9.0455 9.0961 9.0961 9.3384 9.3384 9.3912 9.3912 9.7983 9.7983 9.8495 9.8495 10.3190 10.3190 10.7607 10.7607 10.9602 10.9602 11.7376 11.7376 11.9119 11.9119 11.9802 11.9802 k =-0.2787 0.4635 0.4799 ( 9111 PWs) bands (ev): -81.1244 -81.1244 -81.1202 -81.1202 -46.8070 -46.8070 -46.7959 -46.7959 -45.0752 -45.0752 -45.0742 -45.0742 -45.0709 -45.0709 -45.0440 -45.0440 6.9278 6.9278 7.0181 7.0181 7.6050 7.6050 7.6985 7.6985 7.9545 7.9545 8.3616 8.3616 8.4931 8.4931 8.5802 8.5802 8.6182 8.6182 8.7108 8.7108 9.0496 9.0496 9.0941 9.0941 9.3284 9.3284 9.3859 9.3859 9.7814 9.7814 9.8826 9.8826 10.3176 10.3176 10.7366 10.7366 10.9528 10.9528 11.7615 11.7615 11.9287 11.9287 11.9938 11.9938 k =-0.2920 0.4589 0.4887 ( 9103 PWs) bands (ev): -81.1244 -81.1244 -81.1199 -81.1199 -46.8072 -46.8072 -46.7957 -46.7957 -45.0753 -45.0753 -45.0747 -45.0747 -45.0708 -45.0708 -45.0434 -45.0434 6.9629 6.9629 7.0553 7.0553 7.6066 7.6066 7.6923 7.6923 7.9214 7.9214 8.3694 8.3694 8.4990 8.4990 8.5795 8.5795 8.6136 8.6136 8.7146 8.7146 9.0518 9.0518 9.0899 9.0899 9.3211 9.3211 9.3797 9.3797 9.7719 9.7719 9.9176 9.9176 10.3154 10.3154 10.7076 10.7076 10.9444 10.9444 11.7900 11.7900 11.9440 11.9440 12.0069 12.0069 k =-0.3052 0.4542 0.4976 ( 9102 PWs) bands (ev): -81.1244 -81.1244 -81.1199 -81.1199 -46.8074 -46.8074 -46.7955 -46.7955 -45.0754 -45.0754 -45.0753 -45.0753 -45.0707 -45.0707 -45.0429 -45.0429 6.9973 6.9973 7.0924 7.0924 7.6090 7.6090 7.6859 7.6859 7.8877 7.8877 8.3776 8.3776 8.5052 8.5052 8.5786 8.5786 8.6094 8.6094 8.7171 8.7171 9.0523 9.0523 9.0829 9.0829 9.3161 9.3161 9.3732 9.3732 9.7696 9.7696 9.9538 9.9538 10.3126 10.3126 10.6742 10.6742 10.9345 10.9345 11.8221 11.8221 11.9573 11.9573 12.0195 12.0195 k =-0.3185 0.4496 0.5065 ( 9109 PWs) bands (ev): -81.1246 -81.1246 -81.1199 -81.1199 -46.8077 -46.8077 -46.7954 -46.7954 -45.0759 -45.0759 -45.0755 -45.0755 -45.0707 -45.0707 -45.0424 -45.0424 7.0307 7.0307 7.1294 7.1294 7.6123 7.6123 7.6791 7.6791 7.8539 7.8539 8.3861 8.3861 8.5114 8.5114 8.5778 8.5778 8.6054 8.6054 8.7189 8.7189 9.0518 9.0518 9.0732 9.0732 9.3132 9.3132 9.3662 9.3662 9.7740 9.7740 9.9910 9.9910 10.3089 10.3089 10.6377 10.6377 10.9227 10.9227 11.8569 11.8569 11.9687 11.9687 12.0317 12.0317 k =-0.3318 0.4449 0.5154 ( 9110 PWs) bands (ev): -81.1248 -81.1248 -81.1197 -81.1197 -46.8079 -46.8079 -46.7952 -46.7952 -45.0764 -45.0764 -45.0756 -45.0756 -45.0706 -45.0706 -45.0419 -45.0419 7.0624 7.0624 7.1661 7.1661 7.6163 7.6163 7.6720 7.6720 7.8204 7.8204 8.3950 8.3950 8.5177 8.5177 8.5772 8.5772 8.6017 8.6017 8.7213 8.7213 9.0501 9.0501 9.0612 9.0612 9.3120 9.3120 9.3596 9.3596 9.7844 9.7844 10.0288 10.0288 10.3047 10.3047 10.5992 10.5992 10.9088 10.9088 11.8935 11.8935 11.9788 11.9788 12.0438 12.0438 k =-0.3451 0.4403 0.5243 ( 9101 PWs) bands (ev): -81.1246 -81.1246 -81.1196 -81.1196 -46.8080 -46.8080 -46.7950 -46.7950 -45.0768 -45.0768 -45.0757 -45.0757 -45.0706 -45.0706 -45.0414 -45.0414 7.0921 7.0921 7.2025 7.2025 7.6206 7.6206 7.6645 7.6645 7.7880 7.7880 8.4048 8.4048 8.5240 8.5240 8.5760 8.5760 8.5979 8.5979 8.7247 8.7247 9.0436 9.0436 9.0536 9.0536 9.3119 9.3119 9.3535 9.3535 9.8000 9.8000 10.0671 10.0671 10.3002 10.3002 10.5596 10.5596 10.8924 10.8924 11.9303 11.9303 11.9874 11.9874 12.0559 12.0559 k =-0.3583 0.4356 0.5332 ( 9101 PWs) bands (ev): -81.1248 -81.1248 -81.1195 -81.1195 -46.8082 -46.8082 -46.7949 -46.7949 -45.0773 -45.0773 -45.0758 -45.0758 -45.0706 -45.0706 -45.0409 -45.0409 7.1189 7.1189 7.2384 7.2384 7.6249 7.6249 7.6566 7.6566 7.7573 7.7573 8.4154 8.4154 8.5299 8.5299 8.5741 8.5741 8.5938 8.5938 8.7294 8.7294 9.0283 9.0283 9.0529 9.0529 9.3120 9.3120 9.3473 9.3473 9.8200 9.8200 10.1050 10.1050 10.2953 10.2953 10.5201 10.5201 10.8733 10.8733 11.9657 11.9657 11.9943 11.9943 12.0681 12.0681 k =-0.3716 0.4310 0.5421 ( 9107 PWs) bands (ev): -81.1249 -81.1249 -81.1195 -81.1195 -46.8084 -46.8084 -46.7948 -46.7948 -45.0777 -45.0777 -45.0758 -45.0758 -45.0705 -45.0705 -45.0405 -45.0405 7.1420 7.1420 7.2737 7.2737 7.6278 7.6278 7.6486 7.6486 7.7298 7.7298 8.4270 8.4270 8.5350 8.5350 8.5715 8.5715 8.5889 8.5889 8.7355 8.7355 9.0110 9.0110 9.0542 9.0542 9.3121 9.3121 9.3414 9.3414 9.8438 9.8438 10.1420 10.1420 10.2904 10.2904 10.4816 10.4816 10.8513 10.8513 11.9949 11.9949 12.0023 12.0023 12.0805 12.0805 k =-0.3849 0.4263 0.5509 ( 9111 PWs) bands (ev): -81.1250 -81.1250 -81.1195 -81.1195 -46.8086 -46.8086 -46.7947 -46.7947 -45.0782 -45.0782 -45.0759 -45.0759 -45.0705 -45.0705 -45.0402 -45.0402 7.1607 7.1607 7.3084 7.3084 7.6276 7.6276 7.6408 7.6408 7.7083 7.7083 8.4395 8.4395 8.5397 8.5397 8.5682 8.5682 8.5835 8.5835 8.7428 8.7428 8.9928 8.9928 9.0570 9.0570 9.3120 9.3120 9.3359 9.3359 9.8707 9.8707 10.1778 10.1778 10.2858 10.2858 10.4457 10.4457 10.8266 10.8266 12.0001 12.0001 12.0279 12.0279 12.0932 12.0932 k =-0.3981 0.4217 0.5598 ( 9122 PWs) bands (ev): -81.1252 -81.1252 -81.1197 -81.1197 -46.8088 -46.8088 -46.7946 -46.7946 -45.0786 -45.0786 -45.0760 -45.0760 -45.0705 -45.0705 -45.0398 -45.0398 7.1738 7.1738 7.3424 7.3424 7.6227 7.6227 7.6321 7.6321 7.6954 7.6954 8.4530 8.4530 8.5433 8.5433 8.5641 8.5641 8.5773 8.5773 8.7508 8.7508 8.9743 8.9743 9.0618 9.0618 9.3114 9.3114 9.3312 9.3312 9.9003 9.9003 10.2104 10.2104 10.2820 10.2820 10.4136 10.4136 10.7994 10.7994 12.0002 12.0002 12.0505 12.0505 12.1050 12.1050 k =-0.4114 0.4170 0.5687 ( 9119 PWs) bands (ev): -81.1252 -81.1252 -81.1195 -81.1195 -46.8089 -46.8089 -46.7945 -46.7945 -45.0789 -45.0789 -45.0761 -45.0761 -45.0705 -45.0705 -45.0395 -45.0395 7.1804 7.1804 7.3754 7.3754 7.6150 7.6150 7.6215 7.6215 7.6921 7.6921 8.4675 8.4675 8.5460 8.5460 8.5597 8.5597 8.5719 8.5719 8.7588 8.7588 8.9560 8.9560 9.0682 9.0682 9.3105 9.3105 9.3276 9.3276 9.9321 9.9321 10.2372 10.2372 10.2801 10.2801 10.3879 10.3879 10.7700 10.7700 11.9987 11.9987 12.0681 12.0681 12.1139 12.1139 k =-0.4247 0.4124 0.5776 ( 9114 PWs) bands (ev): -81.1253 -81.1253 -81.1193 -81.1193 -46.8090 -46.8090 -46.7944 -46.7944 -45.0792 -45.0792 -45.0761 -45.0761 -45.0704 -45.0704 -45.0392 -45.0392 7.1798 7.1798 7.4073 7.4073 7.6064 7.6064 7.6112 7.6112 7.6948 7.6948 8.4825 8.4825 8.5472 8.5472 8.5549 8.5549 8.5678 8.5678 8.7648 8.7648 8.9386 8.9386 9.0765 9.0765 9.3096 9.3096 9.3254 9.3254 9.9654 9.9654 10.2521 10.2521 10.2818 10.2818 10.3729 10.3729 10.7388 10.7388 11.9951 11.9951 12.0807 12.0807 12.1193 12.1193 k =-0.4380 0.4078 0.5865 ( 9122 PWs) bands (ev): -81.1255 -81.1255 -81.1193 -81.1193 -46.8092 -46.8092 -46.7943 -46.7943 -45.0795 -45.0795 -45.0762 -45.0762 -45.0704 -45.0704 -45.0388 -45.0388 7.1714 7.1714 7.4373 7.4373 7.5987 7.5987 7.6034 7.6034 7.6999 7.6999 8.4957 8.4957 8.5462 8.5462 8.5510 8.5510 8.5656 8.5656 8.7680 8.7680 8.9211 8.9211 9.0873 9.0873 9.3095 9.3095 9.3248 9.3248 10.0000 10.0000 10.2536 10.2536 10.2835 10.2835 10.3732 10.3732 10.7063 10.7063 11.9895 11.9895 12.0870 12.0870 12.1235 12.1235 k =-0.4380 0.4078 0.5865 ( 9122 PWs) bands (ev): -81.1255 -81.1255 -81.1193 -81.1193 -46.8092 -46.8092 -46.7943 -46.7943 -45.0795 -45.0795 -45.0762 -45.0762 -45.0704 -45.0704 -45.0388 -45.0388 7.1714 7.1714 7.4373 7.4373 7.5987 7.5987 7.6034 7.6034 7.6999 7.6999 8.4957 8.4957 8.5462 8.5462 8.5510 8.5510 8.5656 8.5656 8.7680 8.7680 8.9211 8.9211 9.0873 9.0873 9.3095 9.3095 9.3248 9.3248 10.0000 10.0000 10.2536 10.2536 10.2835 10.2835 10.3732 10.3732 10.7063 10.7063 11.9895 11.9895 12.0870 12.0870 12.1235 12.1235 k =-0.4457 0.3951 0.5865 ( 9134 PWs) bands (ev): -81.1258 -81.1258 -81.1194 -81.1194 -46.8093 -46.8093 -46.7942 -46.7942 -45.0800 -45.0800 -45.0763 -45.0763 -45.0704 -45.0704 -45.0385 -45.0385 7.1557 7.1557 7.4744 7.4744 7.5904 7.5904 7.5950 7.5950 7.7078 7.7078 8.5102 8.5102 8.5423 8.5423 8.5493 8.5493 8.5658 8.5658 8.7694 8.7694 8.8982 8.8982 9.1010 9.1010 9.3098 9.3098 9.3246 9.3246 10.0471 10.0471 10.2504 10.2504 10.2827 10.2827 10.3843 10.3843 10.6623 10.6623 11.9805 11.9805 12.0913 12.0913 12.1278 12.1278 k =-0.4535 0.3825 0.5865 ( 9130 PWs) bands (ev): -81.1258 -81.1258 -81.1192 -81.1192 -46.8095 -46.8095 -46.7941 -46.7941 -45.0803 -45.0803 -45.0764 -45.0764 -45.0703 -45.0703 -45.0382 -45.0382 7.1420 7.1420 7.5068 7.5068 7.5832 7.5832 7.5876 7.5876 7.7149 7.7149 8.5196 8.5196 8.5391 8.5391 8.5507 8.5507 8.5695 8.5695 8.7715 8.7715 8.8757 8.8757 9.1130 9.1130 9.3099 9.3099 9.3243 9.3243 10.0932 10.0932 10.2488 10.2488 10.2828 10.2828 10.3947 10.3947 10.6200 10.6200 11.9725 11.9725 12.0967 12.0967 12.1305 12.1305 k =-0.4612 0.3698 0.5865 ( 9138 PWs) bands (ev): -81.1261 -81.1261 -81.1192 -81.1192 -46.8096 -46.8096 -46.7941 -46.7941 -45.0806 -45.0806 -45.0764 -45.0764 -45.0703 -45.0703 -45.0380 -45.0380 7.1302 7.1302 7.5343 7.5343 7.5772 7.5772 7.5814 7.5814 7.7210 7.7210 8.5229 8.5229 8.5365 8.5365 8.5532 8.5532 8.5789 8.5789 8.7731 8.7731 8.8538 8.8538 9.1220 9.1220 9.3094 9.3094 9.3235 9.3235 10.1376 10.1376 10.2478 10.2478 10.2833 10.2833 10.4039 10.4039 10.5794 10.5794 11.9642 11.9642 12.1026 12.1026 12.1328 12.1328 k =-0.4690 0.3572 0.5865 ( 9154 PWs) bands (ev): -81.1261 -81.1261 -81.1196 -81.1196 -46.8098 -46.8098 -46.7940 -46.7940 -45.0809 -45.0809 -45.0765 -45.0765 -45.0703 -45.0703 -45.0378 -45.0378 7.1206 7.1206 7.5569 7.5569 7.5720 7.5720 7.5761 7.5761 7.7260 7.7260 8.5223 8.5223 8.5335 8.5335 8.5542 8.5542 8.5928 8.5928 8.7741 8.7741 8.8329 8.8329 9.1304 9.1304 9.3089 9.3089 9.3227 9.3227 10.1801 10.1801 10.2476 10.2476 10.2841 10.2841 10.4117 10.4117 10.5406 10.5406 11.9566 11.9566 12.1078 12.1078 12.1351 12.1359 k =-0.4767 0.3445 0.5865 ( 9154 PWs) bands (ev): -81.1261 -81.1261 -81.1195 -81.1195 -46.8099 -46.8099 -46.7939 -46.7939 -45.0811 -45.0811 -45.0765 -45.0765 -45.0703 -45.0703 -45.0376 -45.0376 7.1131 7.1131 7.5682 7.5682 7.5721 7.5721 7.5746 7.5746 7.7300 7.7300 8.5215 8.5215 8.5319 8.5319 8.5547 8.5547 8.6080 8.6080 8.7753 8.7753 8.8139 8.8139 9.1369 9.1369 9.3084 9.3084 9.3219 9.3219 10.2195 10.2195 10.2483 10.2483 10.2850 10.2850 10.4180 10.4180 10.5038 10.5038 11.9503 11.9503 12.1114 12.1114 12.1329 12.1330 k =-0.4845 0.3319 0.5865 ( 9154 PWs) bands (ev): -81.1261 -81.1261 -81.1195 -81.1195 -46.8099 -46.8099 -46.7939 -46.7939 -45.0812 -45.0812 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.1078 7.1078 7.5654 7.5654 7.5693 7.5693 7.5872 7.5872 7.7328 7.7328 8.5206 8.5206 8.5307 8.5307 8.5549 8.5549 8.6218 8.6218 8.7762 8.7762 8.7980 8.7980 9.1416 9.1416 9.3080 9.3080 9.3212 9.3212 10.2445 10.2445 10.2595 10.2595 10.2858 10.2858 10.4226 10.4226 10.4704 10.4704 11.9455 11.9455 12.1129 12.1129 12.1313 12.1313 k =-0.4922 0.3192 0.5865 ( 9162 PWs) bands (ev): -81.1263 -81.1263 -81.1195 -81.1195 -46.8099 -46.8099 -46.7939 -46.7939 -45.0813 -45.0813 -45.0765 -45.0765 -45.0703 -45.0703 -45.0374 -45.0374 7.1046 7.1046 7.5638 7.5638 7.5676 7.5676 7.5948 7.5948 7.7344 7.7344 8.5200 8.5200 8.5301 8.5301 8.5550 8.5550 8.6316 8.6316 8.7768 8.7768 8.7869 8.7869 9.1439 9.1439 9.3074 9.3074 9.3205 9.3205 10.2460 10.2460 10.2859 10.2859 10.2859 10.2859 10.4254 10.4254 10.4438 10.4438 11.9426 11.9426 12.1133 12.1133 12.1302 12.1302 k =-0.5000 0.3066 0.5865 ( 9162 PWs) bands (ev): -81.1265 -81.1265 -81.1193 -81.1193 -46.8099 -46.8099 -46.7940 -46.7940 -45.0813 -45.0813 -45.0766 -45.0766 -45.0702 -45.0702 -45.0374 -45.0374 7.1034 7.1034 7.5632 7.5632 7.5670 7.5670 7.5974 7.5974 7.7349 7.7349 8.5199 8.5199 8.5299 8.5299 8.5556 8.5556 8.6348 8.6348 8.7765 8.7765 8.7839 8.7839 9.1448 9.1448 9.3071 9.3071 9.3202 9.3202 10.2460 10.2460 10.2858 10.2858 10.2975 10.2975 10.4262 10.4262 10.4326 10.4326 11.9417 11.9417 12.1135 12.1135 12.1298 12.1298 k = 0.0000 0.0000 0.5865 ( 9068 PWs) bands (ev): -81.1246 -81.1246 -81.1188 -81.1188 -46.8092 -46.8092 -46.7930 -46.7930 -45.0805 -45.0805 -45.0756 -45.0756 -45.0697 -45.0697 -45.0366 -45.0366 5.9484 5.9484 6.7359 6.7359 7.5638 7.5638 7.6988 7.6988 7.7558 7.7558 7.9615 7.9615 8.5008 8.5008 8.7850 8.7850 8.8824 8.8824 8.9033 8.9033 9.3828 9.3828 9.5496 9.5496 9.6248 9.6248 9.8558 9.8558 10.0151 10.0151 10.1127 10.1127 10.5763 10.5763 10.7154 10.7154 10.9307 10.9307 11.0912 11.0912 11.2686 11.2686 11.3275 11.3275 k = 0.0086 0.0141 0.5865 ( 9088 PWs) bands (ev): -81.1248 -81.1248 -81.1191 -81.1191 -46.8093 -46.8093 -46.7930 -46.7930 -45.0806 -45.0806 -45.0756 -45.0756 -45.0697 -45.0697 -45.0367 -45.0367 5.9495 5.9495 6.7371 6.7371 7.5646 7.5646 7.6965 7.6965 7.7505 7.7505 7.9689 7.9689 8.5005 8.5005 8.7815 8.7815 8.8698 8.8698 8.9174 8.9174 9.3811 9.3811 9.5484 9.5484 9.6232 9.6232 9.8514 9.8514 10.0157 10.0157 10.1137 10.1137 10.5766 10.5766 10.7151 10.7151 10.9237 10.9237 11.0971 11.0971 11.2711 11.2711 11.3264 11.3264 k = 0.0172 0.0281 0.5865 ( 9100 PWs) bands (ev): -81.1250 -81.1250 -81.1193 -81.1193 -46.8093 -46.8093 -46.7931 -46.7931 -45.0805 -45.0805 -45.0756 -45.0756 -45.0698 -45.0698 -45.0369 -45.0369 5.9529 5.9529 6.7407 6.7407 7.5677 7.5677 7.6887 7.6887 7.7397 7.7397 7.9888 7.9888 8.5023 8.5023 8.7713 8.7713 8.8543 8.8543 8.9402 8.9402 9.3762 9.3762 9.5450 9.5450 9.6190 9.6190 9.8383 9.8383 10.0174 10.0174 10.1165 10.1165 10.5778 10.5778 10.7142 10.7142 10.9056 10.9056 11.1121 11.1121 11.2800 11.2800 11.3232 11.3232 k = 0.0259 0.0422 0.5865 ( 9100 PWs) bands (ev): -81.1249 -81.1249 -81.1194 -81.1194 -46.8093 -46.8093 -46.7932 -46.7932 -45.0804 -45.0804 -45.0755 -45.0755 -45.0698 -45.0698 -45.0370 -45.0370 5.9585 5.9585 6.7468 6.7468 7.5731 7.5731 7.6715 7.6715 7.7315 7.7315 8.0168 8.0168 8.5049 8.5049 8.7549 8.7549 8.8423 8.8423 8.9645 8.9645 9.3683 9.3683 9.5408 9.5408 9.6123 9.6123 9.8170 9.8170 10.0203 10.0203 10.1218 10.1218 10.5802 10.5802 10.7130 10.7130 10.8816 10.8816 11.1316 11.1316 11.2938 11.2938 11.3182 11.3182 k = 0.0345 0.0562 0.5865 ( 9100 PWs) bands (ev): -81.1250 -81.1250 -81.1193 -81.1193 -46.8092 -46.8092 -46.7933 -46.7933 -45.0801 -45.0801 -45.0756 -45.0756 -45.0698 -45.0698 -45.0372 -45.0372 5.9663 5.9663 6.7553 6.7553 7.5803 7.5803 7.6454 7.6454 7.7287 7.7287 8.0491 8.0491 8.5092 8.5092 8.7341 8.7341 8.8335 8.8335 8.9883 8.9883 9.3573 9.3573 9.5351 9.5351 9.6031 9.6031 9.7880 9.7880 10.0245 10.0245 10.1282 10.1282 10.5832 10.5832 10.7114 10.7114 10.8554 10.8554 11.1522 11.1522 11.3062 11.3062 11.3171 11.3171 k = 0.0431 0.0703 0.5865 ( 9112 PWs) bands (ev): -81.1252 -81.1252 -81.1194 -81.1194 -46.8091 -46.8091 -46.7934 -46.7934 -45.0799 -45.0799 -45.0756 -45.0756 -45.0699 -45.0699 -45.0375 -45.0375 5.9764 5.9764 6.7661 6.7661 7.5884 7.5884 7.6152 7.6152 7.7287 7.7287 8.0841 8.0841 8.5144 8.5144 8.7107 8.7107 8.8263 8.8263 9.0119 9.0119 9.3432 9.3432 9.5265 9.5265 9.5910 9.5910 9.7522 9.7522 10.0299 10.0299 10.1351 10.1351 10.5868 10.5868 10.7099 10.7099 10.8299 10.8299 11.1724 11.1724 11.2990 11.2990 11.3367 11.3367 k = 0.0517 0.0844 0.5865 ( 9120 PWs) bands (ev): -81.1253 -81.1253 -81.1195 -81.1195 -46.8089 -46.8089 -46.7936 -46.7936 -45.0795 -45.0795 -45.0756 -45.0756 -45.0699 -45.0699 -45.0379 -45.0379 5.9886 5.9886 6.7794 6.7794 7.5768 7.5768 7.6043 7.6043 7.7307 7.7307 8.1204 8.1204 8.5210 8.5210 8.6862 8.6862 8.8198 8.8198 9.0348 9.0348 9.3258 9.3258 9.5164 9.5164 9.5762 9.5762 9.7103 9.7103 10.0366 10.0366 10.1412 10.1412 10.5915 10.5915 10.7089 10.7089 10.8069 10.8069 11.1910 11.1910 11.2877 11.2877 11.3608 11.3608 k = 0.0603 0.0984 0.5865 ( 9116 PWs) bands (ev): -81.1254 -81.1254 -81.1193 -81.1193 -46.8087 -46.8087 -46.7938 -46.7938 -45.0791 -45.0791 -45.0755 -45.0755 -45.0700 -45.0700 -45.0384 -45.0384 6.0031 6.0031 6.7951 6.7951 7.5429 7.5429 7.6166 7.6166 7.7343 7.7343 8.1575 8.1575 8.5289 8.5289 8.6614 8.6614 8.8138 8.8138 9.0566 9.0566 9.3061 9.3061 9.5043 9.5043 9.5589 9.5589 9.6634 9.6634 10.0448 10.0448 10.1472 10.1472 10.5972 10.5972 10.7086 10.7086 10.7879 10.7879 11.2075 11.2075 11.2749 11.2749 11.3864 11.3864 k = 0.0690 0.1125 0.5865 ( 9124 PWs) bands (ev): -81.1252 -81.1252 -81.1197 -81.1197 -46.8086 -46.8086 -46.7939 -46.7939 -45.0787 -45.0787 -45.0754 -45.0754 -45.0701 -45.0701 -45.0389 -45.0389 6.0196 6.0196 6.8130 6.8130 7.5071 7.5071 7.6320 7.6320 7.7376 7.7376 8.1945 8.1945 8.5370 8.5370 8.6367 8.6367 8.8074 8.8074 9.0769 9.0769 9.2841 9.2841 9.4910 9.4910 9.5385 9.5385 9.6121 9.6121 10.0543 10.0543 10.1522 10.1522 10.6039 10.6039 10.7091 10.7091 10.7740 10.7740 11.2199 11.2199 11.2627 11.2627 11.4116 11.4116 k = 0.0776 0.1265 0.5865 ( 9132 PWs) bands (ev): -81.1253 -81.1253 -81.1198 -81.1198 -46.8085 -46.8085 -46.7942 -46.7942 -45.0782 -45.0782 -45.0754 -45.0754 -45.0702 -45.0702 -45.0394 -45.0394 6.0382 6.0382 6.8334 6.8334 7.4708 7.4708 7.6492 7.6492 7.7419 7.7419 8.2311 8.2311 8.5458 8.5458 8.6132 8.6132 8.8012 8.8012 9.0954 9.0954 9.2597 9.2597 9.4752 9.4752 9.5153 9.5153 9.5577 9.5577 10.0653 10.0653 10.1555 10.1555 10.6108 10.6108 10.7102 10.7102 10.7654 10.7654 11.2206 11.2206 11.2591 11.2591 11.4367 11.4367 k = 0.0862 0.1406 0.5865 ( 9106 PWs) bands (ev): -81.1247 -81.1247 -81.1198 -81.1198 -46.8082 -46.8082 -46.7942 -46.7942 -45.0775 -45.0775 -45.0752 -45.0752 -45.0702 -45.0702 -45.0399 -45.0399 6.0589 6.0589 6.8560 6.8560 7.4344 7.4344 7.6691 7.6691 7.7471 7.7471 8.2671 8.2671 8.5533 8.5533 8.5937 8.5937 8.7954 8.7954 9.1123 9.1123 9.2341 9.2341 9.4579 9.4579 9.4897 9.4897 9.5012 9.5012 10.0778 10.0778 10.1577 10.1577 10.6195 10.6195 10.7129 10.7129 10.7620 10.7620 11.2065 11.2065 11.2683 11.2683 11.4607 11.4607 k = 0.0948 0.1547 0.5865 ( 9114 PWs) bands (ev): -81.1246 -81.1246 -81.1200 -81.1200 -46.8080 -46.8080 -46.7945 -46.7945 -45.0769 -45.0769 -45.0751 -45.0751 -45.0704 -45.0704 -45.0405 -45.0405 6.0814 6.0814 6.8808 6.8808 7.3977 7.3977 7.6904 7.6904 7.7523 7.7523 8.3014 8.3014 8.5502 8.5502 8.5862 8.5862 8.7896 8.7896 9.1252 9.1252 9.2078 9.2078 9.4323 9.4323 9.4435 9.4435 9.4645 9.4645 10.0918 10.0918 10.1590 10.1590 10.6283 10.6283 10.7165 10.7165 10.7626 10.7626 11.1856 11.1856 11.2829 11.2829 11.4816 11.4816 k = 0.1034 0.1687 0.5865 ( 9112 PWs) bands (ev): -81.1245 -81.1245 -81.1201 -81.1201 -46.8077 -46.8077 -46.7947 -46.7947 -45.0762 -45.0762 -45.0751 -45.0751 -45.0704 -45.0704 -45.0412 -45.0412 6.1059 6.1059 6.9079 6.9079 7.3610 7.3610 7.7135 7.7135 7.7579 7.7579 8.3337 8.3337 8.5342 8.5342 8.5939 8.5939 8.7853 8.7853 9.1311 9.1311 9.1850 9.1850 9.3782 9.3782 9.4085 9.4085 9.4390 9.4390 10.1074 10.1074 10.1603 10.1603 10.6378 10.6378 10.7213 10.7213 10.7659 10.7659 11.1615 11.1615 11.3005 11.3005 11.5004 11.5004 k = 0.1121 0.1828 0.5865 ( 9130 PWs) bands (ev): -81.1247 -81.1247 -81.1203 -81.1203 -46.8075 -46.8075 -46.7951 -46.7951 -45.0756 -45.0756 -45.0750 -45.0750 -45.0706 -45.0706 -45.0421 -45.0421 6.1321 6.1321 6.9371 6.9371 7.3242 7.3242 7.7382 7.7382 7.7634 7.7634 8.3629 8.3629 8.5152 8.5152 8.6066 8.6066 8.7825 8.7825 9.1198 9.1198 9.1752 9.1752 9.3168 9.3168 9.3736 9.3736 9.4142 9.4142 10.1245 10.1245 10.1622 10.1622 10.6476 10.6476 10.7273 10.7273 10.7701 10.7701 11.1352 11.1352 11.3216 11.3216 11.5157 11.5157 k = 0.1207 0.1968 0.5865 ( 9134 PWs) bands (ev): -81.1246 -81.1246 -81.1205 -81.1205 -46.8072 -46.8072 -46.7954 -46.7954 -45.0749 -45.0749 -45.0748 -45.0748 -45.0707 -45.0707 -45.0429 -45.0429 6.1601 6.1601 6.9685 6.9685 7.2874 7.2874 7.7645 7.7645 7.7687 7.7687 8.3889 8.3889 8.4967 8.4967 8.6215 8.6215 8.7817 8.7817 9.0936 9.0936 9.1769 9.1769 9.2548 9.2548 9.3355 9.3355 9.3906 9.3906 10.1430 10.1430 10.1659 10.1659 10.6580 10.6580 10.7349 10.7349 10.7738 10.7738 11.1069 11.1069 11.3470 11.3470 11.5279 11.5279 k = 0.1293 0.2109 0.5865 ( 9134 PWs) bands (ev): -81.1245 -81.1245 -81.1206 -81.1206 -46.8069 -46.8069 -46.7957 -46.7957 -45.0748 -45.0748 -45.0740 -45.0740 -45.0708 -45.0708 -45.0437 -45.0437 6.1897 6.1897 7.0018 7.0018 7.2507 7.2507 7.7735 7.7735 7.7923 7.7923 8.4106 8.4106 8.4794 8.4794 8.6383 8.6383 8.7840 8.7840 9.0620 9.0620 9.1789 9.1789 9.1933 9.1933 9.2963 9.2963 9.3665 9.3665 10.1631 10.1631 10.1717 10.1717 10.6688 10.6688 10.7440 10.7440 10.7755 10.7755 11.0770 11.0770 11.3775 11.3775 11.5368 11.5368 k = 0.1379 0.2250 0.5865 ( 9144 PWs) bands (ev): -81.1246 -81.1246 -81.1208 -81.1208 -46.8066 -46.8066 -46.7961 -46.7961 -45.0747 -45.0747 -45.0731 -45.0731 -45.0709 -45.0709 -45.0447 -45.0447 6.2209 6.2209 7.0370 7.0370 7.2138 7.2138 7.7775 7.7775 7.8213 7.8213 8.4267 8.4267 8.4637 8.4637 8.6563 8.6563 8.7897 8.7897 9.0284 9.0284 9.1311 9.1311 9.1765 9.1765 9.2598 9.2598 9.3417 9.3417 10.1796 10.1796 10.1848 10.1848 10.6793 10.6793 10.7539 10.7539 10.7742 10.7742 11.0455 11.0455 11.4137 11.4137 11.5418 11.5418 k = 0.1466 0.2390 0.5865 ( 9120 PWs) bands (ev): -81.1241 -81.1241 -81.1207 -81.1207 -46.8061 -46.8061 -46.7963 -46.7963 -45.0745 -45.0745 -45.0721 -45.0721 -45.0710 -45.0710 -45.0455 -45.0455 6.2535 6.2535 7.0740 7.0740 7.1772 7.1772 7.7810 7.7810 7.8522 7.8522 8.4372 8.4372 8.4504 8.4504 8.6753 8.6753 8.7997 8.7997 8.9949 8.9949 9.0710 9.0710 9.1607 9.1607 9.2343 9.2343 9.3168 9.3168 10.1907 10.1907 10.2076 10.2076 10.6906 10.6906 10.7640 10.7640 10.7711 10.7711 11.0129 11.0129 11.4561 11.4561 11.5439 11.5439 k = 0.1552 0.2531 0.5865 ( 9124 PWs) bands (ev): -81.1240 -81.1240 -81.1209 -81.1209 -46.8058 -46.8058 -46.7966 -46.7966 -45.0744 -45.0744 -45.0713 -45.0713 -45.0711 -45.0711 -45.0465 -45.0465 6.2875 6.2875 7.1118 7.1118 7.1410 7.1410 7.7823 7.7823 7.8839 7.8839 8.4358 8.4358 8.4448 8.4448 8.6952 8.6952 8.8129 8.8129 8.9610 8.9610 9.0124 9.0124 9.1289 9.1289 9.2220 9.2220 9.2907 9.2907 10.2039 10.2039 10.2319 10.2319 10.7011 10.7011 10.7594 10.7594 10.7793 10.7793 10.9791 10.9791 11.5033 11.5033 11.5419 11.5419 k = 0.1638 0.2672 0.5865 ( 9120 PWs) bands (ev): -81.1239 -81.1239 -81.1209 -81.1209 -46.8054 -46.8054 -46.7970 -46.7970 -45.0743 -45.0743 -45.0712 -45.0712 -45.0702 -45.0702 -45.0475 -45.0475 6.3226 6.3226 7.1017 7.1017 7.1541 7.1541 7.7820 7.7820 7.9168 7.9168 8.4269 8.4269 8.4436 8.4436 8.7162 8.7162 8.8284 8.8284 8.9272 8.9272 8.9575 8.9575 9.0895 9.0895 9.2165 9.2165 9.2635 9.2635 10.2197 10.2197 10.2576 10.2576 10.7100 10.7100 10.7489 10.7489 10.7919 10.7919 10.9444 10.9444 11.5366 11.5366 11.5533 11.5533 k = 0.1724 0.2812 0.5865 ( 9120 PWs) bands (ev): -81.1237 -81.1237 -81.1211 -81.1211 -46.8050 -46.8050 -46.7974 -46.7974 -45.0741 -45.0741 -45.0714 -45.0714 -45.0692 -45.0692 -45.0485 -45.0485 6.3589 6.3589 7.0647 7.0647 7.1954 7.1954 7.7792 7.7792 7.9504 7.9504 8.4188 8.4188 8.4386 8.4386 8.7370 8.7370 8.8414 8.8414 8.8884 8.8884 8.9171 8.9171 9.0484 9.0484 9.2113 9.2113 9.2368 9.2368 10.2378 10.2378 10.2846 10.2846 10.7116 10.7116 10.7422 10.7422 10.8047 10.8047 10.9091 10.9091 11.5285 11.5285 11.5801 11.5801 k = 0.1810 0.2953 0.5865 ( 9122 PWs) bands (ev): -81.1237 -81.1237 -81.1211 -81.1211 -46.8046 -46.8046 -46.7978 -46.7978 -45.0740 -45.0740 -45.0715 -45.0715 -45.0681 -45.0681 -45.0497 -45.0497 6.3961 6.3961 7.0270 7.0270 7.2382 7.2382 7.7736 7.7736 7.9847 7.9847 8.4125 8.4125 8.4307 8.4307 8.7553 8.7553 8.8349 8.8349 8.8497 8.8497 8.9060 8.9060 9.0077 9.0077 9.2047 9.2047 9.2094 9.2094 10.2582 10.2582 10.3127 10.3127 10.6984 10.6984 10.7471 10.7471 10.8167 10.8167 10.8736 10.8736 11.5176 11.5176 11.5536 11.5536 k = 0.1897 0.3093 0.5865 ( 9124 PWs) bands (ev): -81.1235 -81.1235 -81.1214 -81.1214 -46.8042 -46.8042 -46.7982 -46.7982 -45.0739 -45.0739 -45.0717 -45.0717 -45.0670 -45.0670 -45.0507 -45.0507 6.4342 6.4342 6.9889 6.9889 7.2820 7.2820 7.7643 7.7643 8.0198 8.0198 8.4060 8.4060 8.4223 8.4223 8.7555 8.7555 8.8099 8.8099 8.8299 8.8299 8.9188 8.9188 8.9695 8.9695 9.1803 9.1803 9.1986 9.1986 10.2805 10.2805 10.3421 10.3421 10.6773 10.6773 10.7573 10.7573 10.8248 10.8248 10.8412 10.8412 11.5028 11.5028 11.5240 11.5240 k = 0.1983 0.3234 0.5865 ( 9114 PWs) bands (ev): -81.1234 -81.1234 -81.1213 -81.1213 -46.8037 -46.8037 -46.7986 -46.7986 -45.0737 -45.0737 -45.0718 -45.0718 -45.0659 -45.0659 -45.0519 -45.0519 6.4729 6.4729 6.9506 6.9506 7.3265 7.3265 7.7513 7.7513 8.0552 8.0552 8.3949 8.3949 8.4188 8.4188 8.7199 8.7199 8.8074 8.8074 8.8241 8.8241 8.9270 8.9270 8.9474 8.9474 9.1521 9.1521 9.1891 9.1891 10.3046 10.3046 10.3725 10.3725 10.6527 10.6527 10.7668 10.7668 10.8011 10.8011 10.8409 10.8409 11.4836 11.4836 11.5015 11.5015 k = 0.2069 0.3375 0.5865 ( 9118 PWs) bands (ev): -81.1233 -81.1233 -81.1214 -81.1214 -46.8033 -46.8033 -46.7990 -46.7990 -45.0736 -45.0736 -45.0720 -45.0720 -45.0647 -45.0647 -45.0531 -45.0531 6.5123 6.5123 6.9118 6.9118 7.3712 7.3712 7.7340 7.7340 8.0906 8.0906 8.3788 8.3788 8.4209 8.4209 8.6756 8.6756 8.7919 8.7919 8.8449 8.8449 8.8966 8.8966 8.9684 8.9684 9.1237 9.1237 9.1780 9.1780 10.3303 10.3303 10.4039 10.4039 10.6258 10.6258 10.7548 10.7548 10.7896 10.7896 10.8481 10.8481 11.4623 11.4623 11.4845 11.4845 k = 0.2155 0.3515 0.5865 ( 9124 PWs) bands (ev): -81.1232 -81.1232 -81.1217 -81.1217 -46.8029 -46.8029 -46.7995 -46.7995 -45.0734 -45.0734 -45.0721 -45.0721 -45.0636 -45.0636 -45.0542 -45.0542 6.5521 6.5521 6.8727 6.8727 7.4159 7.4159 7.7121 7.7121 8.1259 8.1259 8.3594 8.3594 8.4272 8.4272 8.6323 8.6323 8.7797 8.7797 8.8664 8.8664 8.8692 8.8692 8.9926 8.9926 9.0959 9.0959 9.1647 9.1647 10.3573 10.3573 10.4363 10.4363 10.5974 10.5974 10.7207 10.7207 10.7999 10.7999 10.8533 10.8533 11.4445 11.4445 11.4691 11.4691 k = 0.2241 0.3656 0.5865 ( 9120 PWs) bands (ev): -81.1231 -81.1231 -81.1218 -81.1218 -46.8024 -46.8024 -46.7999 -46.7999 -45.0733 -45.0733 -45.0723 -45.0723 -45.0624 -45.0624 -45.0554 -45.0554 6.5922 6.5922 6.8333 6.8333 7.4602 7.4602 7.6861 7.6861 8.1606 8.1606 8.3377 8.3377 8.4374 8.4374 8.5918 8.5918 8.7729 8.7729 8.8398 8.8398 8.8954 8.8954 9.0148 9.0148 9.0703 9.0703 9.1496 9.1496 10.3856 10.3856 10.4693 10.4693 10.5682 10.5682 10.6844 10.6844 10.8122 10.8122 10.8555 10.8555 11.4315 11.4315 11.4551 11.4551 k = 0.2328 0.3796 0.5865 ( 9120 PWs) bands (ev): -81.1228 -81.1228 -81.1220 -81.1220 -46.8020 -46.8020 -46.8003 -46.8003 -45.0731 -45.0731 -45.0725 -45.0725 -45.0612 -45.0612 -45.0566 -45.0566 6.6325 6.6325 6.7935 6.7935 7.5035 7.5035 7.6560 7.6560 8.1946 8.1946 8.3136 8.3136 8.4517 8.4517 8.5550 8.5550 8.7714 8.7714 8.8171 8.8171 8.9218 8.9218 9.0221 9.0221 9.0589 9.0589 9.1324 9.1324 10.4148 10.4148 10.5018 10.5018 10.5397 10.5397 10.6479 10.6479 10.8241 10.8241 10.8545 10.8545 11.4242 11.4242 11.4425 11.4425 k = 0.2414 0.3937 0.5865 ( 9132 PWs) bands (ev): -81.1227 -81.1227 -81.1224 -81.1224 -46.8017 -46.8017 -46.8008 -46.8008 -45.0729 -45.0729 -45.0726 -45.0726 -45.0602 -45.0602 -45.0578 -45.0578 6.6728 6.6728 6.7534 6.7534 7.5452 7.5452 7.6221 7.6221 8.2276 8.2276 8.2869 8.2869 8.4706 8.4706 8.5217 8.5217 8.7751 8.7751 8.7981 8.7981 8.9483 8.9483 9.0020 9.0020 9.0736 9.0736 9.1140 9.1140 10.4446 10.4446 10.5037 10.5037 10.5420 10.5420 10.6116 10.6116 10.8347 10.8347 10.8506 10.8506 11.4224 11.4224 11.4318 11.4318 k = 0.2500 0.4078 0.5865 ( 9132 PWs) bands (ev): -81.1226 -81.1226 -81.1226 -81.1226 -46.8012 -46.8012 -46.8012 -46.8012 -45.0728 -45.0728 -45.0728 -45.0728 -45.0590 -45.0590 -45.0590 -45.0590 6.7132 6.7132 6.7132 6.7132 7.5850 7.5850 7.5850 7.5850 8.2583 8.2583 8.2583 8.2583 8.4937 8.4937 8.4937 8.4937 8.7843 8.7843 8.7843 8.7843 8.9754 8.9754 8.9754 8.9754 9.0939 9.0939 9.0939 9.0939 10.4747 10.4747 10.4747 10.4747 10.5759 10.5759 10.5759 10.5759 10.8438 10.8438 10.8438 10.8438 11.4250 11.4250 11.4250 11.4250 Writing output data file Zr2Co.save init_run : 0.10s CPU 0.26s WALL ( 1 calls) electrons : 418.26s CPU 426.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 418.26s CPU 426.21s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.13s WALL ( 315 calls) cegterg : 383.53s CPU 389.17s WALL ( 724 calls) Called by sum_band: Called by *egterg: h_psi : 262.05s CPU 265.81s WALL ( 11793 calls) g_psi : 0.94s CPU 0.83s WALL ( 10754 calls) cdiaghg : 99.27s CPU 100.45s WALL ( 11069 calls) cegterg:over : 19.42s CPU 19.42s WALL ( 10754 calls) cegterg:upda : 18.64s CPU 19.00s WALL ( 10754 calls) cegterg:last : 6.97s CPU 6.94s WALL ( 1687 calls) cdiaghg:chol : 5.45s CPU 5.77s WALL ( 11069 calls) cdiaghg:inve : 3.99s CPU 3.99s WALL ( 11069 calls) cdiaghg:para : 6.58s CPU 6.62s WALL ( 22138 calls) Called by h_psi: h_psi:vloc : 237.30s CPU 240.60s WALL ( 11793 calls) h_psi:vnl : 24.00s CPU 24.34s WALL ( 11793 calls) add_vuspsi : 11.40s CPU 11.50s WALL ( 11793 calls) General routines calbec : 12.56s CPU 12.80s WALL ( 11793 calls) fft : 0.00s CPU 0.01s WALL ( 14 calls) fftw : 225.03s CPU 228.17s WALL ( 1307464 calls) davcio : 0.17s CPU 0.24s WALL ( 630 calls) Parallel routines fft_scatter : 70.81s CPU 72.73s WALL ( 1307478 calls) PWSCF : 7m25.66s CPU 7m55.33s WALL This run was terminated on: 17:34:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=