Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:50:58 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: ./Ni2B.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 20 6 980 370 60 Max 39 21 7 984 385 64 Sum 1389 731 219 35351 13553 2257 bravais-lattice index = 14 lattice parameter (alat) = 7.7834 a.u. unit-cell volume = 356.9636 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.783353 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.265808 celldm(5)= -0.265808 celldm(6)= -0.468383 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.468383 0.883525 0.000000 ) a(3) = ( -0.265808 -0.441763 0.856850 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.530130 0.583533 ) b(2) = ( 0.000000 1.131829 0.583533 ) b(3) = ( 0.000000 0.000000 1.167066 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) B 3.00 10.81100 B( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0000000 0.0000000 0.0129674), wk = 0.0025000 k( 3) = ( 0.0000000 0.0000000 0.0259348), wk = 0.0025000 k( 4) = ( 0.0000000 0.0000000 0.0389022), wk = 0.0025000 k( 5) = ( 0.0000000 0.0000000 0.0518696), wk = 0.0025000 k( 6) = ( 0.0000000 0.0000000 0.0648370), wk = 0.0025000 k( 7) = ( 0.0000000 0.0000000 0.0778044), wk = 0.0025000 k( 8) = ( 0.0000000 0.0000000 0.0907718), wk = 0.0025000 k( 9) = ( 0.0000000 0.0000000 0.1037392), wk = 0.0025000 k( 10) = ( 0.0000000 0.0000000 0.1167066), wk = 0.0025000 k( 11) = ( 0.0000000 0.0000000 0.1296740), wk = 0.0025000 k( 12) = ( 0.0000000 0.0000000 0.1426414), wk = 0.0025000 k( 13) = ( 0.0000000 0.0000000 0.1556088), wk = 0.0025000 k( 14) = ( 0.0000000 0.0000000 0.1685762), wk = 0.0025000 k( 15) = ( 0.0000000 0.0000000 0.1815436), wk = 0.0025000 k( 16) = ( 0.0000000 0.0000000 0.1945110), wk = 0.0025000 k( 17) = ( 0.0000000 0.0000000 0.2074784), wk = 0.0025000 k( 18) = ( 0.0000000 0.0000000 0.2204457), wk = 0.0025000 k( 19) = ( 0.0000000 0.0000000 0.2334131), wk = 0.0025000 k( 20) = ( 0.0000000 0.0000000 0.2463805), wk = 0.0025000 k( 21) = ( 0.0000000 0.0000000 0.2593479), wk = 0.0025000 k( 22) = ( 0.0000000 0.0000000 0.2723153), wk = 0.0025000 k( 23) = ( 0.0000000 0.0000000 0.2852827), wk = 0.0025000 k( 24) = ( 0.0000000 0.0000000 0.2982501), wk = 0.0025000 k( 25) = ( 0.0000000 0.0000000 0.3112175), wk = 0.0025000 k( 26) = ( 0.0000000 0.0000000 0.3241849), wk = 0.0025000 k( 27) = ( 0.0000000 0.0000000 0.3371523), wk = 0.0025000 k( 28) = ( 0.0000000 0.0000000 0.3501197), wk = 0.0025000 k( 29) = ( 0.0000000 0.0000000 0.3630871), wk = 0.0025000 k( 30) = ( 0.0000000 0.0000000 0.3760545), wk = 0.0025000 k( 31) = ( 0.0000000 0.0000000 0.3890219), wk = 0.0025000 k( 32) = ( 0.0000000 0.0000000 0.4019893), wk = 0.0025000 k( 33) = ( 0.0000000 0.0000000 0.4149567), wk = 0.0025000 k( 34) = ( 0.0000000 0.0000000 0.4279241), wk = 0.0025000 k( 35) = ( 0.0000000 0.0000000 0.4408915), wk = 0.0025000 k( 36) = ( 0.0000000 0.0000000 0.4538589), wk = 0.0025000 k( 37) = ( 0.0000000 0.0000000 0.4668263), wk = 0.0025000 k( 38) = ( 0.0000000 0.0000000 0.4797937), wk = 0.0025000 k( 39) = ( 0.0000000 0.0000000 0.4927611), wk = 0.0025000 k( 40) = ( 0.0000000 0.0000000 0.5057285), wk = 0.0025000 k( 41) = ( 0.0000000 0.0000000 0.5186959), wk = 0.0025000 k( 42) = ( 0.0000000 0.0000000 0.5316633), wk = 0.0025000 k( 43) = ( 0.0000000 0.0000000 0.5446307), wk = 0.0025000 k( 44) = ( 0.0000000 0.0000000 0.5575981), wk = 0.0025000 k( 45) = ( 0.0000000 0.0000000 0.5705655), wk = 0.0025000 k( 46) = ( 0.0000000 0.0000000 0.5835329), wk = 0.0025000 k( 47) = ( 0.0000000 0.0000000 0.5835329), wk = 0.0025000 k( 48) = ( -0.0111111 0.0066855 0.5835329), wk = 0.0025000 k( 49) = ( -0.0222222 0.0133711 0.5835329), wk = 0.0025000 k( 50) = ( -0.0333333 0.0200566 0.5835329), wk = 0.0025000 k( 51) = ( -0.0444444 0.0267422 0.5835329), wk = 0.0025000 k( 52) = ( -0.0555556 0.0334278 0.5835329), wk = 0.0025000 k( 53) = ( -0.0666667 0.0401133 0.5835329), wk = 0.0025000 k( 54) = ( -0.0777778 0.0467989 0.5835329), wk = 0.0025000 k( 55) = ( -0.0888889 0.0534844 0.5835329), wk = 0.0025000 k( 56) = ( -0.1000000 0.0601700 0.5835329), wk = 0.0025000 k( 57) = ( -0.1111111 0.0668555 0.5835329), wk = 0.0025000 k( 58) = ( -0.1222222 0.0735411 0.5835329), wk = 0.0025000 k( 59) = ( -0.1333333 0.0802266 0.5835329), wk = 0.0025000 k( 60) = ( -0.1444444 0.0869122 0.5835329), wk = 0.0025000 k( 61) = ( -0.1555556 0.0935977 0.5835329), wk = 0.0025000 k( 62) = ( -0.1666667 0.1002833 0.5835329), wk = 0.0025000 k( 63) = ( -0.1777778 0.1069688 0.5835329), wk = 0.0025000 k( 64) = ( -0.1888889 0.1136544 0.5835329), wk = 0.0025000 k( 65) = ( -0.2000000 0.1203399 0.5835329), wk = 0.0025000 k( 66) = ( -0.2111111 0.1270255 0.5835329), wk = 0.0025000 k( 67) = ( -0.2222222 0.1337110 0.5835329), wk = 0.0025000 k( 68) = ( -0.2333333 0.1403966 0.5835329), wk = 0.0025000 k( 69) = ( -0.2444444 0.1470821 0.5835329), wk = 0.0025000 k( 70) = ( -0.2555556 0.1537677 0.5835329), wk = 0.0025000 k( 71) = ( -0.2666667 0.1604532 0.5835329), wk = 0.0025000 k( 72) = ( -0.2777778 0.1671388 0.5835329), wk = 0.0025000 k( 73) = ( -0.2888889 0.1738243 0.5835329), wk = 0.0025000 k( 74) = ( -0.3000000 0.1805099 0.5835329), wk = 0.0025000 k( 75) = ( -0.3111111 0.1871954 0.5835329), wk = 0.0025000 k( 76) = ( -0.3222222 0.1938810 0.5835329), wk = 0.0025000 k( 77) = ( -0.3333333 0.2005665 0.5835329), wk = 0.0025000 k( 78) = ( -0.3444444 0.2072521 0.5835329), wk = 0.0025000 k( 79) = ( -0.3555556 0.2139376 0.5835329), wk = 0.0025000 k( 80) = ( -0.3666667 0.2206232 0.5835329), wk = 0.0025000 k( 81) = ( -0.3777778 0.2273087 0.5835329), wk = 0.0025000 k( 82) = ( -0.3888889 0.2339943 0.5835329), wk = 0.0025000 k( 83) = ( -0.4000000 0.2406798 0.5835329), wk = 0.0025000 k( 84) = ( -0.4111111 0.2473654 0.5835329), wk = 0.0025000 k( 85) = ( -0.4222222 0.2540509 0.5835329), wk = 0.0025000 k( 86) = ( -0.4333333 0.2607365 0.5835329), wk = 0.0025000 k( 87) = ( -0.4444444 0.2674220 0.5835329), wk = 0.0025000 k( 88) = ( -0.4555556 0.2741076 0.5835329), wk = 0.0025000 k( 89) = ( -0.4666667 0.2807931 0.5835329), wk = 0.0025000 k( 90) = ( -0.4777778 0.2874787 0.5835329), wk = 0.0025000 k( 91) = ( -0.4888889 0.2941642 0.5835329), wk = 0.0025000 k( 92) = ( -0.5000000 0.3008498 0.5835329), wk = 0.0025000 k( 93) = ( -0.5000000 0.3008498 0.5835329), wk = 0.0025000 k( 94) = ( -0.4920635 0.2960744 0.5742704), wk = 0.0025000 k( 95) = ( -0.4841270 0.2912990 0.5650080), wk = 0.0025000 k( 96) = ( -0.4761905 0.2865236 0.5557456), wk = 0.0025000 k( 97) = ( -0.4682540 0.2817482 0.5464831), wk = 0.0025000 k( 98) = ( -0.4603175 0.2769728 0.5372207), wk = 0.0025000 k( 99) = ( -0.4523810 0.2721974 0.5279583), wk = 0.0025000 k( 100) = ( -0.4444444 0.2674220 0.5186959), wk = 0.0025000 k( 101) = ( -0.4365079 0.2626466 0.5094334), wk = 0.0025000 k( 102) = ( -0.4285714 0.2578712 0.5001710), wk = 0.0025000 k( 103) = ( -0.4206349 0.2530958 0.4909086), wk = 0.0025000 k( 104) = ( -0.4126984 0.2483205 0.4816462), wk = 0.0025000 k( 105) = ( -0.4047619 0.2435451 0.4723837), wk = 0.0025000 k( 106) = ( -0.3968254 0.2387697 0.4631213), wk = 0.0025000 k( 107) = ( -0.3888889 0.2339943 0.4538589), wk = 0.0025000 k( 108) = ( -0.3809524 0.2292189 0.4445965), wk = 0.0025000 k( 109) = ( -0.3730159 0.2244435 0.4353340), wk = 0.0025000 k( 110) = ( -0.3650794 0.2196681 0.4260716), wk = 0.0025000 k( 111) = ( -0.3571429 0.2148927 0.4168092), wk = 0.0025000 k( 112) = ( -0.3492063 0.2101173 0.4075468), wk = 0.0025000 k( 113) = ( -0.3412698 0.2053419 0.3982843), wk = 0.0025000 k( 114) = ( -0.3333333 0.2005665 0.3890219), wk = 0.0025000 k( 115) = ( -0.3253968 0.1957911 0.3797595), wk = 0.0025000 k( 116) = ( -0.3174603 0.1910157 0.3704971), wk = 0.0025000 k( 117) = ( -0.3095238 0.1862403 0.3612346), wk = 0.0025000 k( 118) = ( -0.3015873 0.1814649 0.3519722), wk = 0.0025000 k( 119) = ( -0.2936508 0.1766896 0.3427098), wk = 0.0025000 k( 120) = ( -0.2857143 0.1719142 0.3334473), wk = 0.0025000 k( 121) = ( -0.2777778 0.1671388 0.3241849), wk = 0.0025000 k( 122) = ( -0.2698413 0.1623634 0.3149225), wk = 0.0025000 k( 123) = ( -0.2619048 0.1575880 0.3056601), wk = 0.0025000 k( 124) = ( -0.2539683 0.1528126 0.2963976), wk = 0.0025000 k( 125) = ( -0.2460317 0.1480372 0.2871352), wk = 0.0025000 k( 126) = ( -0.2380952 0.1432618 0.2778728), wk = 0.0025000 k( 127) = ( -0.2301587 0.1384864 0.2686104), wk = 0.0025000 k( 128) = ( -0.2222222 0.1337110 0.2593479), wk = 0.0025000 k( 129) = ( -0.2142857 0.1289356 0.2500855), wk = 0.0025000 k( 130) = ( -0.2063492 0.1241602 0.2408231), wk = 0.0025000 k( 131) = ( -0.1984127 0.1193848 0.2315607), wk = 0.0025000 k( 132) = ( -0.1904762 0.1146094 0.2222982), wk = 0.0025000 k( 133) = ( -0.1825397 0.1098340 0.2130358), wk = 0.0025000 k( 134) = ( -0.1746032 0.1050587 0.2037734), wk = 0.0025000 k( 135) = ( -0.1666667 0.1002833 0.1945110), wk = 0.0025000 k( 136) = ( -0.1587302 0.0955079 0.1852485), wk = 0.0025000 k( 137) = ( -0.1507937 0.0907325 0.1759861), wk = 0.0025000 k( 138) = ( -0.1428571 0.0859571 0.1667237), wk = 0.0025000 k( 139) = ( -0.1349206 0.0811817 0.1574612), wk = 0.0025000 k( 140) = ( -0.1269841 0.0764063 0.1481988), wk = 0.0025000 k( 141) = ( -0.1190476 0.0716309 0.1389364), wk = 0.0025000 k( 142) = ( -0.1111111 0.0668555 0.1296740), wk = 0.0025000 k( 143) = ( -0.1031746 0.0620801 0.1204115), wk = 0.0025000 k( 144) = ( -0.0952381 0.0573047 0.1111491), wk = 0.0025000 k( 145) = ( -0.0873016 0.0525293 0.1018867), wk = 0.0025000 k( 146) = ( -0.0793651 0.0477539 0.0926243), wk = 0.0025000 k( 147) = ( -0.0714286 0.0429785 0.0833618), wk = 0.0025000 k( 148) = ( -0.0634921 0.0382031 0.0740994), wk = 0.0025000 k( 149) = ( -0.0555556 0.0334278 0.0648370), wk = 0.0025000 k( 150) = ( -0.0476191 0.0286524 0.0555746), wk = 0.0025000 k( 151) = ( -0.0396825 0.0238770 0.0463121), wk = 0.0025000 k( 152) = ( -0.0317460 0.0191016 0.0370497), wk = 0.0025000 k( 153) = ( -0.0238095 0.0143262 0.0277873), wk = 0.0025000 k( 154) = ( -0.0158730 0.0095508 0.0185249), wk = 0.0025000 k( 155) = ( -0.0079365 0.0047754 0.0092624), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 158) = ( 0.0067347 0.0111928 -0.0000000), wk = 0.0025000 k( 159) = ( 0.0134694 0.0223856 -0.0000000), wk = 0.0025000 k( 160) = ( 0.0202041 0.0335784 -0.0000000), wk = 0.0025000 k( 161) = ( 0.0269388 0.0447712 -0.0000000), wk = 0.0025000 k( 162) = ( 0.0336735 0.0559640 -0.0000000), wk = 0.0025000 k( 163) = ( 0.0404082 0.0671568 -0.0000000), wk = 0.0025000 k( 164) = ( 0.0471429 0.0783496 -0.0000000), wk = 0.0025000 k( 165) = ( 0.0538776 0.0895424 -0.0000000), wk = 0.0025000 k( 166) = ( 0.0606124 0.1007352 -0.0000000), wk = 0.0025000 k( 167) = ( 0.0673471 0.1119281 -0.0000000), wk = 0.0025000 k( 168) = ( 0.0740818 0.1231209 -0.0000000), wk = 0.0025000 k( 169) = ( 0.0808165 0.1343137 -0.0000000), wk = 0.0025000 k( 170) = ( 0.0875512 0.1455065 -0.0000000), wk = 0.0025000 k( 171) = ( 0.0942859 0.1566993 -0.0000000), wk = 0.0025000 k( 172) = ( 0.1010206 0.1678921 -0.0000000), wk = 0.0025000 k( 173) = ( 0.1077553 0.1790849 -0.0000000), wk = 0.0025000 k( 174) = ( 0.1144900 0.1902777 -0.0000000), wk = 0.0025000 k( 175) = ( 0.1212247 0.2014705 -0.0000000), wk = 0.0025000 k( 176) = ( 0.1279594 0.2126633 -0.0000000), wk = 0.0025000 k( 177) = ( 0.1346941 0.2238561 -0.0000000), wk = 0.0025000 k( 178) = ( 0.1414288 0.2350489 -0.0000000), wk = 0.0025000 k( 179) = ( 0.1481635 0.2462417 -0.0000000), wk = 0.0025000 k( 180) = ( 0.1548982 0.2574345 -0.0000000), wk = 0.0025000 k( 181) = ( 0.1616329 0.2686273 -0.0000000), wk = 0.0025000 k( 182) = ( 0.1683677 0.2798201 -0.0000000), wk = 0.0025000 k( 183) = ( 0.1751023 0.2910129 -0.0000000), wk = 0.0025000 k( 184) = ( 0.1818371 0.3022057 -0.0000000), wk = 0.0025000 k( 185) = ( 0.1885718 0.3133986 -0.0000000), wk = 0.0025000 k( 186) = ( 0.1953065 0.3245913 -0.0000000), wk = 0.0025000 k( 187) = ( 0.2020412 0.3357842 -0.0000000), wk = 0.0025000 k( 188) = ( 0.2087759 0.3469770 -0.0000000), wk = 0.0025000 k( 189) = ( 0.2155106 0.3581698 -0.0000000), wk = 0.0025000 k( 190) = ( 0.2222453 0.3693626 -0.0000000), wk = 0.0025000 k( 191) = ( 0.2289800 0.3805554 -0.0000000), wk = 0.0025000 k( 192) = ( 0.2357147 0.3917482 -0.0000000), wk = 0.0025000 k( 193) = ( 0.2424494 0.4029410 -0.0000000), wk = 0.0025000 k( 194) = ( 0.2491841 0.4141338 -0.0000000), wk = 0.0025000 k( 195) = ( 0.2559188 0.4253266 -0.0000000), wk = 0.0025000 k( 196) = ( 0.2626535 0.4365194 -0.0000000), wk = 0.0025000 k( 197) = ( 0.2693882 0.4477122 -0.0000000), wk = 0.0025000 k( 198) = ( 0.2761229 0.4589050 -0.0000000), wk = 0.0025000 k( 199) = ( 0.2828577 0.4700978 -0.0000000), wk = 0.0025000 k( 200) = ( 0.2895924 0.4812906 -0.0000000), wk = 0.0025000 k( 201) = ( 0.2963271 0.4924834 -0.0000000), wk = 0.0025000 k( 202) = ( 0.3030618 0.5036762 -0.0000000), wk = 0.0025000 k( 203) = ( 0.3097965 0.5148690 -0.0000000), wk = 0.0025000 k( 204) = ( 0.3165312 0.5260618 -0.0000000), wk = 0.0025000 k( 205) = ( 0.3232659 0.5372546 -0.0000000), wk = 0.0025000 k( 206) = ( 0.3300006 0.5484475 -0.0000000), wk = 0.0025000 k( 207) = ( 0.3367353 0.5596403 -0.0000000), wk = 0.0025000 k( 208) = ( 0.3434700 0.5708331 -0.0000000), wk = 0.0025000 k( 209) = ( 0.3502047 0.5820259 -0.0000000), wk = 0.0025000 k( 210) = ( 0.3569394 0.5932187 -0.0000000), wk = 0.0025000 k( 211) = ( 0.3636741 0.6044115 -0.0000000), wk = 0.0025000 k( 212) = ( 0.3704088 0.6156043 -0.0000000), wk = 0.0025000 k( 213) = ( 0.3771435 0.6267971 -0.0000000), wk = 0.0025000 k( 214) = ( 0.3838782 0.6379899 -0.0000000), wk = 0.0025000 k( 215) = ( 0.3906129 0.6491827 -0.0000000), wk = 0.0025000 k( 216) = ( 0.3973476 0.6603755 -0.0000000), wk = 0.0025000 k( 217) = ( 0.4040824 0.6715683 -0.0000000), wk = 0.0025000 k( 218) = ( 0.4108171 0.6827611 -0.0000000), wk = 0.0025000 k( 219) = ( 0.4175518 0.6939539 -0.0000000), wk = 0.0025000 k( 220) = ( 0.4242865 0.7051467 -0.0000000), wk = 0.0025000 k( 221) = ( 0.4310212 0.7163395 -0.0000000), wk = 0.0025000 k( 222) = ( 0.4310212 0.7163395 -0.0000000), wk = 0.0025000 k( 223) = ( 0.4275400 0.7105540 0.0112218), wk = 0.0025000 k( 224) = ( 0.4240588 0.7047684 0.0224436), wk = 0.0025000 k( 225) = ( 0.4205777 0.6989828 0.0336654), wk = 0.0025000 k( 226) = ( 0.4170965 0.6931972 0.0448871), wk = 0.0025000 k( 227) = ( 0.4136153 0.6874117 0.0561089), wk = 0.0025000 k( 228) = ( 0.4101341 0.6816261 0.0673307), wk = 0.0025000 k( 229) = ( 0.4066529 0.6758405 0.0785525), wk = 0.0025000 k( 230) = ( 0.4031718 0.6700550 0.0897743), wk = 0.0025000 k( 231) = ( 0.3996906 0.6642694 0.1009961), wk = 0.0025000 k( 232) = ( 0.3962094 0.6584838 0.1122178), wk = 0.0025000 k( 233) = ( 0.3927282 0.6526982 0.1234396), wk = 0.0025000 k( 234) = ( 0.3892471 0.6469127 0.1346614), wk = 0.0025000 k( 235) = ( 0.3857659 0.6411271 0.1458832), wk = 0.0025000 k( 236) = ( 0.3822847 0.6353415 0.1571050), wk = 0.0025000 k( 237) = ( 0.3788035 0.6295559 0.1683268), wk = 0.0025000 k( 238) = ( 0.3753224 0.6237704 0.1795486), wk = 0.0025000 k( 239) = ( 0.3718412 0.6179848 0.1907704), wk = 0.0025000 k( 240) = ( 0.3683600 0.6121992 0.2019921), wk = 0.0025000 k( 241) = ( 0.3648788 0.6064137 0.2132139), wk = 0.0025000 k( 242) = ( 0.3613977 0.6006281 0.2244357), wk = 0.0025000 k( 243) = ( 0.3579165 0.5948425 0.2356575), wk = 0.0025000 k( 244) = ( 0.3544353 0.5890569 0.2468793), wk = 0.0025000 k( 245) = ( 0.3509541 0.5832714 0.2581011), wk = 0.0025000 k( 246) = ( 0.3474729 0.5774858 0.2693229), wk = 0.0025000 k( 247) = ( 0.3439918 0.5717002 0.2805446), wk = 0.0025000 k( 248) = ( 0.3405106 0.5659146 0.2917664), wk = 0.0025000 k( 249) = ( 0.3370294 0.5601291 0.3029882), wk = 0.0025000 k( 250) = ( 0.3335482 0.5543435 0.3142100), wk = 0.0025000 k( 251) = ( 0.3300671 0.5485579 0.3254318), wk = 0.0025000 k( 252) = ( 0.3265859 0.5427723 0.3366536), wk = 0.0025000 k( 253) = ( 0.3231047 0.5369868 0.3478754), wk = 0.0025000 k( 254) = ( 0.3196235 0.5312012 0.3590971), wk = 0.0025000 k( 255) = ( 0.3161424 0.5254156 0.3703189), wk = 0.0025000 k( 256) = ( 0.3126612 0.5196301 0.3815407), wk = 0.0025000 k( 257) = ( 0.3091800 0.5138445 0.3927625), wk = 0.0025000 k( 258) = ( 0.3056988 0.5080589 0.4039843), wk = 0.0025000 k( 259) = ( 0.3022177 0.5022733 0.4152061), wk = 0.0025000 k( 260) = ( 0.2987365 0.4964878 0.4264278), wk = 0.0025000 k( 261) = ( 0.2952553 0.4907022 0.4376496), wk = 0.0025000 k( 262) = ( 0.2917741 0.4849166 0.4488714), wk = 0.0025000 k( 263) = ( 0.2882929 0.4791310 0.4600932), wk = 0.0025000 k( 264) = ( 0.2848118 0.4733455 0.4713150), wk = 0.0025000 k( 265) = ( 0.2813306 0.4675599 0.4825368), wk = 0.0025000 k( 266) = ( 0.2778494 0.4617743 0.4937586), wk = 0.0025000 k( 267) = ( 0.2743682 0.4559888 0.5049804), wk = 0.0025000 k( 268) = ( 0.2708871 0.4502032 0.5162021), wk = 0.0025000 k( 269) = ( 0.2674059 0.4444176 0.5274239), wk = 0.0025000 k( 270) = ( 0.2639247 0.4386320 0.5386457), wk = 0.0025000 k( 271) = ( 0.2604435 0.4328465 0.5498675), wk = 0.0025000 k( 272) = ( 0.2569624 0.4270609 0.5610893), wk = 0.0025000 k( 273) = ( 0.2534812 0.4212753 0.5723111), wk = 0.0025000 k( 274) = ( 0.2500000 0.4154898 0.5835329), wk = 0.0025000 k( 275) = ( 0.2500000 0.4154898 0.5835329), wk = 0.0025000 k( 276) = ( 0.2421875 0.4201905 0.5744152), wk = 0.0025000 k( 277) = ( 0.2343750 0.4248913 0.5652975), wk = 0.0025000 k( 278) = ( 0.2265625 0.4295921 0.5561797), wk = 0.0025000 k( 279) = ( 0.2187500 0.4342929 0.5470620), wk = 0.0025000 k( 280) = ( 0.2109375 0.4389936 0.5379443), wk = 0.0025000 k( 281) = ( 0.2031250 0.4436944 0.5288266), wk = 0.0025000 k( 282) = ( 0.1953125 0.4483952 0.5197089), wk = 0.0025000 k( 283) = ( 0.1875000 0.4530960 0.5105912), wk = 0.0025000 k( 284) = ( 0.1796875 0.4577968 0.5014735), wk = 0.0025000 k( 285) = ( 0.1718750 0.4624975 0.4923558), wk = 0.0025000 k( 286) = ( 0.1640625 0.4671983 0.4832381), wk = 0.0025000 k( 287) = ( 0.1562500 0.4718991 0.4741204), wk = 0.0025000 k( 288) = ( 0.1484375 0.4765999 0.4650027), wk = 0.0025000 k( 289) = ( 0.1406250 0.4813006 0.4558850), wk = 0.0025000 k( 290) = ( 0.1328125 0.4860014 0.4467673), wk = 0.0025000 k( 291) = ( 0.1250000 0.4907022 0.4376496), wk = 0.0025000 k( 292) = ( 0.1171875 0.4954030 0.4285319), wk = 0.0025000 k( 293) = ( 0.1093750 0.5001038 0.4194142), wk = 0.0025000 k( 294) = ( 0.1015625 0.5048045 0.4102965), wk = 0.0025000 k( 295) = ( 0.0937500 0.5095053 0.4011788), wk = 0.0025000 k( 296) = ( 0.0859375 0.5142061 0.3920611), wk = 0.0025000 k( 297) = ( 0.0781250 0.5189069 0.3829434), wk = 0.0025000 k( 298) = ( 0.0703125 0.5236076 0.3738257), wk = 0.0025000 k( 299) = ( 0.0625000 0.5283084 0.3647080), wk = 0.0025000 k( 300) = ( 0.0546875 0.5330092 0.3555903), wk = 0.0025000 k( 301) = ( 0.0468750 0.5377100 0.3464726), wk = 0.0025000 k( 302) = ( 0.0390625 0.5424108 0.3373549), wk = 0.0025000 k( 303) = ( 0.0312500 0.5471115 0.3282372), wk = 0.0025000 k( 304) = ( 0.0234375 0.5518123 0.3191195), wk = 0.0025000 k( 305) = ( 0.0156250 0.5565131 0.3100018), wk = 0.0025000 k( 306) = ( 0.0078125 0.5612139 0.3008841), wk = 0.0025000 k( 307) = ( 0.0000000 0.5659146 0.2917664), wk = 0.0025000 k( 308) = ( 0.0000000 0.5659146 0.2917664), wk = 0.0025000 k( 309) = ( -0.0102624 0.5623331 0.2987132), wk = 0.0025000 k( 310) = ( -0.0205248 0.5587516 0.3056601), wk = 0.0025000 k( 311) = ( -0.0307872 0.5551700 0.3126069), wk = 0.0025000 k( 312) = ( -0.0410496 0.5515885 0.3195537), wk = 0.0025000 k( 313) = ( -0.0513120 0.5480069 0.3265005), wk = 0.0025000 k( 314) = ( -0.0615745 0.5444254 0.3334473), wk = 0.0025000 k( 315) = ( -0.0718369 0.5408438 0.3403942), wk = 0.0025000 k( 316) = ( -0.0820993 0.5372623 0.3473410), wk = 0.0025000 k( 317) = ( -0.0923617 0.5336807 0.3542878), wk = 0.0025000 k( 318) = ( -0.1026241 0.5300992 0.3612346), wk = 0.0025000 k( 319) = ( -0.1128865 0.5265176 0.3681814), wk = 0.0025000 k( 320) = ( -0.1231489 0.5229361 0.3751283), wk = 0.0025000 k( 321) = ( -0.1334113 0.5193546 0.3820751), wk = 0.0025000 k( 322) = ( -0.1436737 0.5157730 0.3890219), wk = 0.0025000 k( 323) = ( -0.1539361 0.5121915 0.3959687), wk = 0.0025000 k( 324) = ( -0.1641985 0.5086099 0.4029155), wk = 0.0025000 k( 325) = ( -0.1744610 0.5050284 0.4098624), wk = 0.0025000 k( 326) = ( -0.1847234 0.5014468 0.4168092), wk = 0.0025000 k( 327) = ( -0.1949858 0.4978653 0.4237560), wk = 0.0025000 k( 328) = ( -0.2052482 0.4942837 0.4307028), wk = 0.0025000 k( 329) = ( -0.2155106 0.4907022 0.4376496), wk = 0.0025000 k( 330) = ( -0.2257730 0.4871206 0.4445965), wk = 0.0025000 k( 331) = ( -0.2360354 0.4835391 0.4515433), wk = 0.0025000 k( 332) = ( -0.2462978 0.4799576 0.4584901), wk = 0.0025000 k( 333) = ( -0.2565602 0.4763760 0.4654369), wk = 0.0025000 k( 334) = ( -0.2668226 0.4727945 0.4723837), wk = 0.0025000 k( 335) = ( -0.2770850 0.4692129 0.4793306), wk = 0.0025000 k( 336) = ( -0.2873475 0.4656314 0.4862774), wk = 0.0025000 k( 337) = ( -0.2976099 0.4620498 0.4932242), wk = 0.0025000 k( 338) = ( -0.3078723 0.4584683 0.5001710), wk = 0.0025000 k( 339) = ( -0.3181347 0.4548867 0.5071178), wk = 0.0025000 k( 340) = ( -0.3283971 0.4513052 0.5140647), wk = 0.0025000 k( 341) = ( -0.3386595 0.4477236 0.5210115), wk = 0.0025000 k( 342) = ( -0.3489219 0.4441421 0.5279583), wk = 0.0025000 k( 343) = ( -0.3591843 0.4405606 0.5349051), wk = 0.0025000 k( 344) = ( -0.3694467 0.4369790 0.5418519), wk = 0.0025000 k( 345) = ( -0.3797091 0.4333975 0.5487988), wk = 0.0025000 k( 346) = ( -0.3899715 0.4298159 0.5557456), wk = 0.0025000 k( 347) = ( -0.4002340 0.4262344 0.5626924), wk = 0.0025000 k( 348) = ( -0.4104964 0.4226528 0.5696392), wk = 0.0025000 k( 349) = ( -0.4207588 0.4190713 0.5765860), wk = 0.0025000 k( 350) = ( -0.4310212 0.4154898 0.5835329), wk = 0.0025000 k( 351) = ( -0.4310212 0.4154898 0.5835329), wk = 0.0025000 k( 352) = ( -0.4372920 0.4050679 0.5835329), wk = 0.0025000 k( 353) = ( -0.4435628 0.3946461 0.5835329), wk = 0.0025000 k( 354) = ( -0.4498336 0.3842243 0.5835329), wk = 0.0025000 k( 355) = ( -0.4561044 0.3738025 0.5835329), wk = 0.0025000 k( 356) = ( -0.4623752 0.3633807 0.5835329), wk = 0.0025000 k( 357) = ( -0.4686460 0.3529589 0.5835329), wk = 0.0025000 k( 358) = ( -0.4749168 0.3425370 0.5835329), wk = 0.0025000 k( 359) = ( -0.4811876 0.3321152 0.5835329), wk = 0.0025000 k( 360) = ( -0.4874584 0.3216934 0.5835329), wk = 0.0025000 k( 361) = ( -0.4937292 0.3112716 0.5835329), wk = 0.0025000 k( 362) = ( -0.5000000 0.3008498 0.5835329), wk = 0.0025000 k( 363) = ( 0.0000000 0.0000000 0.5835329), wk = 0.0025000 k( 364) = ( 0.0067568 0.0112295 0.5835329), wk = 0.0025000 k( 365) = ( 0.0135135 0.0224589 0.5835329), wk = 0.0025000 k( 366) = ( 0.0202703 0.0336884 0.5835329), wk = 0.0025000 k( 367) = ( 0.0270270 0.0449178 0.5835329), wk = 0.0025000 k( 368) = ( 0.0337838 0.0561473 0.5835329), wk = 0.0025000 k( 369) = ( 0.0405405 0.0673767 0.5835329), wk = 0.0025000 k( 370) = ( 0.0472973 0.0786062 0.5835329), wk = 0.0025000 k( 371) = ( 0.0540540 0.0898356 0.5835329), wk = 0.0025000 k( 372) = ( 0.0608108 0.1010651 0.5835329), wk = 0.0025000 k( 373) = ( 0.0675676 0.1122945 0.5835329), wk = 0.0025000 k( 374) = ( 0.0743243 0.1235240 0.5835329), wk = 0.0025000 k( 375) = ( 0.0810811 0.1347534 0.5835329), wk = 0.0025000 k( 376) = ( 0.0878378 0.1459829 0.5835329), wk = 0.0025000 k( 377) = ( 0.0945946 0.1572123 0.5835329), wk = 0.0025000 k( 378) = ( 0.1013514 0.1684418 0.5835329), wk = 0.0025000 k( 379) = ( 0.1081081 0.1796712 0.5835329), wk = 0.0025000 k( 380) = ( 0.1148649 0.1909007 0.5835329), wk = 0.0025000 k( 381) = ( 0.1216216 0.2021301 0.5835329), wk = 0.0025000 k( 382) = ( 0.1283784 0.2133596 0.5835329), wk = 0.0025000 k( 383) = ( 0.1351351 0.2245891 0.5835329), wk = 0.0025000 k( 384) = ( 0.1418919 0.2358185 0.5835329), wk = 0.0025000 k( 385) = ( 0.1486486 0.2470480 0.5835329), wk = 0.0025000 k( 386) = ( 0.1554054 0.2582774 0.5835329), wk = 0.0025000 k( 387) = ( 0.1621622 0.2695069 0.5835329), wk = 0.0025000 k( 388) = ( 0.1689189 0.2807363 0.5835329), wk = 0.0025000 k( 389) = ( 0.1756757 0.2919658 0.5835329), wk = 0.0025000 k( 390) = ( 0.1824324 0.3031952 0.5835329), wk = 0.0025000 k( 391) = ( 0.1891892 0.3144247 0.5835329), wk = 0.0025000 k( 392) = ( 0.1959460 0.3256541 0.5835329), wk = 0.0025000 k( 393) = ( 0.2027027 0.3368836 0.5835329), wk = 0.0025000 k( 394) = ( 0.2094595 0.3481130 0.5835329), wk = 0.0025000 k( 395) = ( 0.2162162 0.3593425 0.5835329), wk = 0.0025000 k( 396) = ( 0.2229730 0.3705719 0.5835329), wk = 0.0025000 k( 397) = ( 0.2297297 0.3818014 0.5835329), wk = 0.0025000 k( 398) = ( 0.2364865 0.3930309 0.5835329), wk = 0.0025000 k( 399) = ( 0.2432432 0.4042603 0.5835329), wk = 0.0025000 k( 400) = ( 0.2500000 0.4154898 0.5835329), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0025000 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0025000 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0025000 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0025000 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0025000 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0025000 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0025000 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0025000 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025000 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0025000 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0025000 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0025000 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0025000 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0025000 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025000 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0025000 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0025000 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025000 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0025000 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0025000 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0025000 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0025000 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0025000 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0025000 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0025000 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0025000 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025000 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0025000 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0025000 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025000 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0025000 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0025000 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0025000 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0025000 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0025000 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025000 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0025000 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0025000 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0025000 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0025000 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0025000 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0025000 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0025000 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0025000 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 48) = ( -0.0111111 0.0111111 0.5000000), wk = 0.0025000 k( 49) = ( -0.0222222 0.0222222 0.5000000), wk = 0.0025000 k( 50) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0025000 k( 51) = ( -0.0444444 0.0444444 0.5000000), wk = 0.0025000 k( 52) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0025000 k( 53) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0025000 k( 54) = ( -0.0777778 0.0777778 0.5000000), wk = 0.0025000 k( 55) = ( -0.0888889 0.0888889 0.5000000), wk = 0.0025000 k( 56) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0025000 k( 57) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0025000 k( 58) = ( -0.1222222 0.1222222 0.5000000), wk = 0.0025000 k( 59) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0025000 k( 60) = ( -0.1444444 0.1444444 0.5000000), wk = 0.0025000 k( 61) = ( -0.1555556 0.1555556 0.5000000), wk = 0.0025000 k( 62) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0025000 k( 63) = ( -0.1777778 0.1777778 0.5000000), wk = 0.0025000 k( 64) = ( -0.1888889 0.1888889 0.5000000), wk = 0.0025000 k( 65) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0025000 k( 66) = ( -0.2111111 0.2111111 0.5000000), wk = 0.0025000 k( 67) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0025000 k( 68) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0025000 k( 69) = ( -0.2444444 0.2444444 0.5000000), wk = 0.0025000 k( 70) = ( -0.2555556 0.2555556 0.5000000), wk = 0.0025000 k( 71) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0025000 k( 72) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0025000 k( 73) = ( -0.2888889 0.2888889 0.5000000), wk = 0.0025000 k( 74) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0025000 k( 75) = ( -0.3111111 0.3111111 0.5000000), wk = 0.0025000 k( 76) = ( -0.3222222 0.3222222 0.5000000), wk = 0.0025000 k( 77) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0025000 k( 78) = ( -0.3444444 0.3444444 0.5000000), wk = 0.0025000 k( 79) = ( -0.3555556 0.3555556 0.5000000), wk = 0.0025000 k( 80) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0025000 k( 81) = ( -0.3777778 0.3777778 0.5000000), wk = 0.0025000 k( 82) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0025000 k( 83) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0025000 k( 84) = ( -0.4111111 0.4111111 0.5000000), wk = 0.0025000 k( 85) = ( -0.4222222 0.4222222 0.5000000), wk = 0.0025000 k( 86) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0025000 k( 87) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0025000 k( 88) = ( -0.4555556 0.4555556 0.5000000), wk = 0.0025000 k( 89) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0025000 k( 90) = ( -0.4777778 0.4777778 0.5000000), wk = 0.0025000 k( 91) = ( -0.4888889 0.4888889 0.5000000), wk = 0.0025000 k( 92) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 93) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 94) = ( -0.4920635 0.4920635 0.4920635), wk = 0.0025000 k( 95) = ( -0.4841270 0.4841270 0.4841270), wk = 0.0025000 k( 96) = ( -0.4761905 0.4761905 0.4761905), wk = 0.0025000 k( 97) = ( -0.4682540 0.4682540 0.4682540), wk = 0.0025000 k( 98) = ( -0.4603175 0.4603175 0.4603175), wk = 0.0025000 k( 99) = ( -0.4523810 0.4523810 0.4523810), wk = 0.0025000 k( 100) = ( -0.4444444 0.4444444 0.4444444), wk = 0.0025000 k( 101) = ( -0.4365079 0.4365079 0.4365079), wk = 0.0025000 k( 102) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0025000 k( 103) = ( -0.4206349 0.4206349 0.4206349), wk = 0.0025000 k( 104) = ( -0.4126984 0.4126984 0.4126984), wk = 0.0025000 k( 105) = ( -0.4047619 0.4047619 0.4047619), wk = 0.0025000 k( 106) = ( -0.3968254 0.3968254 0.3968254), wk = 0.0025000 k( 107) = ( -0.3888889 0.3888889 0.3888889), wk = 0.0025000 k( 108) = ( -0.3809524 0.3809524 0.3809524), wk = 0.0025000 k( 109) = ( -0.3730159 0.3730159 0.3730159), wk = 0.0025000 k( 110) = ( -0.3650794 0.3650794 0.3650794), wk = 0.0025000 k( 111) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0025000 k( 112) = ( -0.3492063 0.3492063 0.3492064), wk = 0.0025000 k( 113) = ( -0.3412698 0.3412698 0.3412698), wk = 0.0025000 k( 114) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0025000 k( 115) = ( -0.3253968 0.3253968 0.3253968), wk = 0.0025000 k( 116) = ( -0.3174603 0.3174603 0.3174603), wk = 0.0025000 k( 117) = ( -0.3095238 0.3095238 0.3095238), wk = 0.0025000 k( 118) = ( -0.3015873 0.3015873 0.3015873), wk = 0.0025000 k( 119) = ( -0.2936508 0.2936508 0.2936508), wk = 0.0025000 k( 120) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0025000 k( 121) = ( -0.2777778 0.2777778 0.2777778), wk = 0.0025000 k( 122) = ( -0.2698413 0.2698413 0.2698413), wk = 0.0025000 k( 123) = ( -0.2619048 0.2619048 0.2619048), wk = 0.0025000 k( 124) = ( -0.2539683 0.2539683 0.2539683), wk = 0.0025000 k( 125) = ( -0.2460317 0.2460317 0.2460317), wk = 0.0025000 k( 126) = ( -0.2380952 0.2380952 0.2380952), wk = 0.0025000 k( 127) = ( -0.2301587 0.2301587 0.2301587), wk = 0.0025000 k( 128) = ( -0.2222222 0.2222222 0.2222222), wk = 0.0025000 k( 129) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0025000 k( 130) = ( -0.2063492 0.2063492 0.2063492), wk = 0.0025000 k( 131) = ( -0.1984127 0.1984127 0.1984127), wk = 0.0025000 k( 132) = ( -0.1904762 0.1904762 0.1904762), wk = 0.0025000 k( 133) = ( -0.1825397 0.1825397 0.1825397), wk = 0.0025000 k( 134) = ( -0.1746032 0.1746032 0.1746032), wk = 0.0025000 k( 135) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0025000 k( 136) = ( -0.1587302 0.1587302 0.1587302), wk = 0.0025000 k( 137) = ( -0.1507937 0.1507937 0.1507937), wk = 0.0025000 k( 138) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0025000 k( 139) = ( -0.1349206 0.1349206 0.1349206), wk = 0.0025000 k( 140) = ( -0.1269841 0.1269841 0.1269841), wk = 0.0025000 k( 141) = ( -0.1190476 0.1190476 0.1190476), wk = 0.0025000 k( 142) = ( -0.1111111 0.1111111 0.1111111), wk = 0.0025000 k( 143) = ( -0.1031746 0.1031746 0.1031746), wk = 0.0025000 k( 144) = ( -0.0952381 0.0952381 0.0952381), wk = 0.0025000 k( 145) = ( -0.0873016 0.0873016 0.0873016), wk = 0.0025000 k( 146) = ( -0.0793651 0.0793651 0.0793651), wk = 0.0025000 k( 147) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0025000 k( 148) = ( -0.0634921 0.0634921 0.0634921), wk = 0.0025000 k( 149) = ( -0.0555556 0.0555556 0.0555556), wk = 0.0025000 k( 150) = ( -0.0476191 0.0476191 0.0476191), wk = 0.0025000 k( 151) = ( -0.0396825 0.0396825 0.0396825), wk = 0.0025000 k( 152) = ( -0.0317460 0.0317460 0.0317460), wk = 0.0025000 k( 153) = ( -0.0238095 0.0238095 0.0238095), wk = 0.0025000 k( 154) = ( -0.0158730 0.0158730 0.0158730), wk = 0.0025000 k( 155) = ( -0.0079365 0.0079365 0.0079365), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 158) = ( 0.0067347 0.0067347 -0.0067347), wk = 0.0025000 k( 159) = ( 0.0134694 0.0134694 -0.0134694), wk = 0.0025000 k( 160) = ( 0.0202041 0.0202041 -0.0202041), wk = 0.0025000 k( 161) = ( 0.0269388 0.0269388 -0.0269388), wk = 0.0025000 k( 162) = ( 0.0336735 0.0336735 -0.0336735), wk = 0.0025000 k( 163) = ( 0.0404082 0.0404082 -0.0404082), wk = 0.0025000 k( 164) = ( 0.0471429 0.0471429 -0.0471429), wk = 0.0025000 k( 165) = ( 0.0538776 0.0538777 -0.0538776), wk = 0.0025000 k( 166) = ( 0.0606124 0.0606123 -0.0606123), wk = 0.0025000 k( 167) = ( 0.0673471 0.0673471 -0.0673471), wk = 0.0025000 k( 168) = ( 0.0740818 0.0740818 -0.0740818), wk = 0.0025000 k( 169) = ( 0.0808165 0.0808165 -0.0808165), wk = 0.0025000 k( 170) = ( 0.0875512 0.0875512 -0.0875512), wk = 0.0025000 k( 171) = ( 0.0942859 0.0942859 -0.0942859), wk = 0.0025000 k( 172) = ( 0.1010206 0.1010206 -0.1010206), wk = 0.0025000 k( 173) = ( 0.1077553 0.1077553 -0.1077553), wk = 0.0025000 k( 174) = ( 0.1144900 0.1144900 -0.1144900), wk = 0.0025000 k( 175) = ( 0.1212247 0.1212247 -0.1212247), wk = 0.0025000 k( 176) = ( 0.1279594 0.1279594 -0.1279594), wk = 0.0025000 k( 177) = ( 0.1346941 0.1346941 -0.1346941), wk = 0.0025000 k( 178) = ( 0.1414288 0.1414288 -0.1414288), wk = 0.0025000 k( 179) = ( 0.1481635 0.1481635 -0.1481635), wk = 0.0025000 k( 180) = ( 0.1548982 0.1548982 -0.1548982), wk = 0.0025000 k( 181) = ( 0.1616329 0.1616329 -0.1616329), wk = 0.0025000 k( 182) = ( 0.1683677 0.1683677 -0.1683677), wk = 0.0025000 k( 183) = ( 0.1751023 0.1751023 -0.1751023), wk = 0.0025000 k( 184) = ( 0.1818371 0.1818371 -0.1818371), wk = 0.0025000 k( 185) = ( 0.1885718 0.1885718 -0.1885718), wk = 0.0025000 k( 186) = ( 0.1953065 0.1953065 -0.1953065), wk = 0.0025000 k( 187) = ( 0.2020412 0.2020412 -0.2020412), wk = 0.0025000 k( 188) = ( 0.2087759 0.2087759 -0.2087759), wk = 0.0025000 k( 189) = ( 0.2155106 0.2155106 -0.2155106), wk = 0.0025000 k( 190) = ( 0.2222453 0.2222453 -0.2222453), wk = 0.0025000 k( 191) = ( 0.2289800 0.2289800 -0.2289800), wk = 0.0025000 k( 192) = ( 0.2357147 0.2357147 -0.2357147), wk = 0.0025000 k( 193) = ( 0.2424494 0.2424494 -0.2424494), wk = 0.0025000 k( 194) = ( 0.2491841 0.2491841 -0.2491841), wk = 0.0025000 k( 195) = ( 0.2559188 0.2559188 -0.2559188), wk = 0.0025000 k( 196) = ( 0.2626535 0.2626535 -0.2626535), wk = 0.0025000 k( 197) = ( 0.2693882 0.2693882 -0.2693882), wk = 0.0025000 k( 198) = ( 0.2761229 0.2761229 -0.2761229), wk = 0.0025000 k( 199) = ( 0.2828577 0.2828577 -0.2828577), wk = 0.0025000 k( 200) = ( 0.2895924 0.2895924 -0.2895924), wk = 0.0025000 k( 201) = ( 0.2963271 0.2963271 -0.2963271), wk = 0.0025000 k( 202) = ( 0.3030618 0.3030618 -0.3030618), wk = 0.0025000 k( 203) = ( 0.3097965 0.3097965 -0.3097965), wk = 0.0025000 k( 204) = ( 0.3165312 0.3165312 -0.3165312), wk = 0.0025000 k( 205) = ( 0.3232659 0.3232659 -0.3232659), wk = 0.0025000 k( 206) = ( 0.3300006 0.3300006 -0.3300006), wk = 0.0025000 k( 207) = ( 0.3367353 0.3367353 -0.3367353), wk = 0.0025000 k( 208) = ( 0.3434700 0.3434700 -0.3434700), wk = 0.0025000 k( 209) = ( 0.3502047 0.3502047 -0.3502047), wk = 0.0025000 k( 210) = ( 0.3569394 0.3569394 -0.3569394), wk = 0.0025000 k( 211) = ( 0.3636741 0.3636741 -0.3636741), wk = 0.0025000 k( 212) = ( 0.3704088 0.3704088 -0.3704088), wk = 0.0025000 k( 213) = ( 0.3771435 0.3771435 -0.3771435), wk = 0.0025000 k( 214) = ( 0.3838782 0.3838782 -0.3838782), wk = 0.0025000 k( 215) = ( 0.3906129 0.3906129 -0.3906129), wk = 0.0025000 k( 216) = ( 0.3973476 0.3973476 -0.3973477), wk = 0.0025000 k( 217) = ( 0.4040824 0.4040824 -0.4040824), wk = 0.0025000 k( 218) = ( 0.4108171 0.4108171 -0.4108171), wk = 0.0025000 k( 219) = ( 0.4175518 0.4175518 -0.4175518), wk = 0.0025000 k( 220) = ( 0.4242865 0.4242865 -0.4242865), wk = 0.0025000 k( 221) = ( 0.4310212 0.4310212 -0.4310212), wk = 0.0025000 k( 222) = ( 0.4310212 0.4310212 -0.4310212), wk = 0.0025000 k( 223) = ( 0.4275400 0.4275400 -0.4179246), wk = 0.0025000 k( 224) = ( 0.4240588 0.4240588 -0.4048281), wk = 0.0025000 k( 225) = ( 0.4205777 0.4205776 -0.3917315), wk = 0.0025000 k( 226) = ( 0.4170965 0.4170965 -0.3786349), wk = 0.0025000 k( 227) = ( 0.4136153 0.4136153 -0.3655384), wk = 0.0025000 k( 228) = ( 0.4101341 0.4101341 -0.3524418), wk = 0.0025000 k( 229) = ( 0.4066529 0.4066529 -0.3393452), wk = 0.0025000 k( 230) = ( 0.4031718 0.4031718 -0.3262487), wk = 0.0025000 k( 231) = ( 0.3996906 0.3996906 -0.3131521), wk = 0.0025000 k( 232) = ( 0.3962094 0.3962094 -0.3000556), wk = 0.0025000 k( 233) = ( 0.3927282 0.3927282 -0.2869590), wk = 0.0025000 k( 234) = ( 0.3892471 0.3892471 -0.2738624), wk = 0.0025000 k( 235) = ( 0.3857659 0.3857659 -0.2607659), wk = 0.0025000 k( 236) = ( 0.3822847 0.3822847 -0.2476693), wk = 0.0025000 k( 237) = ( 0.3788035 0.3788035 -0.2345728), wk = 0.0025000 k( 238) = ( 0.3753224 0.3753224 -0.2214762), wk = 0.0025000 k( 239) = ( 0.3718412 0.3718412 -0.2083796), wk = 0.0025000 k( 240) = ( 0.3683600 0.3683600 -0.1952831), wk = 0.0025000 k( 241) = ( 0.3648788 0.3648788 -0.1821865), wk = 0.0025000 k( 242) = ( 0.3613977 0.3613977 -0.1690900), wk = 0.0025000 k( 243) = ( 0.3579165 0.3579165 -0.1559934), wk = 0.0025000 k( 244) = ( 0.3544353 0.3544353 -0.1428968), wk = 0.0025000 k( 245) = ( 0.3509541 0.3509541 -0.1298003), wk = 0.0025000 k( 246) = ( 0.3474729 0.3474729 -0.1167037), wk = 0.0025000 k( 247) = ( 0.3439918 0.3439918 -0.1036072), wk = 0.0025000 k( 248) = ( 0.3405106 0.3405106 -0.0905106), wk = 0.0025000 k( 249) = ( 0.3370294 0.3370294 -0.0774140), wk = 0.0025000 k( 250) = ( 0.3335482 0.3335482 -0.0643175), wk = 0.0025000 k( 251) = ( 0.3300671 0.3300671 -0.0512209), wk = 0.0025000 k( 252) = ( 0.3265859 0.3265859 -0.0381244), wk = 0.0025000 k( 253) = ( 0.3231047 0.3231047 -0.0250278), wk = 0.0025000 k( 254) = ( 0.3196235 0.3196235 -0.0119312), wk = 0.0025000 k( 255) = ( 0.3161424 0.3161424 0.0011653), wk = 0.0025000 k( 256) = ( 0.3126612 0.3126612 0.0142619), wk = 0.0025000 k( 257) = ( 0.3091800 0.3091800 0.0273585), wk = 0.0025000 k( 258) = ( 0.3056988 0.3056988 0.0404550), wk = 0.0025000 k( 259) = ( 0.3022177 0.3022176 0.0535516), wk = 0.0025000 k( 260) = ( 0.2987365 0.2987365 0.0666481), wk = 0.0025000 k( 261) = ( 0.2952553 0.2952553 0.0797447), wk = 0.0025000 k( 262) = ( 0.2917741 0.2917741 0.0928413), wk = 0.0025000 k( 263) = ( 0.2882929 0.2882929 0.1059378), wk = 0.0025000 k( 264) = ( 0.2848118 0.2848118 0.1190344), wk = 0.0025000 k( 265) = ( 0.2813306 0.2813306 0.1321309), wk = 0.0025000 k( 266) = ( 0.2778494 0.2778494 0.1452275), wk = 0.0025000 k( 267) = ( 0.2743682 0.2743682 0.1583241), wk = 0.0025000 k( 268) = ( 0.2708871 0.2708871 0.1714206), wk = 0.0025000 k( 269) = ( 0.2674059 0.2674059 0.1845172), wk = 0.0025000 k( 270) = ( 0.2639247 0.2639247 0.1976138), wk = 0.0025000 k( 271) = ( 0.2604435 0.2604435 0.2107103), wk = 0.0025000 k( 272) = ( 0.2569624 0.2569623 0.2238069), wk = 0.0025000 k( 273) = ( 0.2534812 0.2534812 0.2369034), wk = 0.0025000 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025000 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025000 k( 276) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0025000 k( 277) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0025000 k( 278) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0025000 k( 279) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0025000 k( 280) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0025000 k( 281) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0025000 k( 282) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0025000 k( 283) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0025000 k( 284) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0025000 k( 285) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0025000 k( 286) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0025000 k( 287) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0025000 k( 288) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0025000 k( 289) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0025000 k( 290) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0025000 k( 291) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0025000 k( 292) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0025000 k( 293) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0025000 k( 294) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0025000 k( 295) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0025000 k( 296) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0025000 k( 297) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0025000 k( 298) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0025000 k( 299) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0025000 k( 300) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0025000 k( 301) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0025000 k( 302) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0025000 k( 303) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0025000 k( 304) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0025000 k( 305) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0025000 k( 306) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0025000 k( 307) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 308) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 309) = ( -0.0102624 0.5016424 0.0102624), wk = 0.0025000 k( 310) = ( -0.0205248 0.5032847 0.0205248), wk = 0.0025000 k( 311) = ( -0.0307872 0.5049271 0.0307872), wk = 0.0025000 k( 312) = ( -0.0410496 0.5065694 0.0410496), wk = 0.0025000 k( 313) = ( -0.0513120 0.5082118 0.0513121), wk = 0.0025000 k( 314) = ( -0.0615745 0.5098541 0.0615744), wk = 0.0025000 k( 315) = ( -0.0718369 0.5114965 0.0718369), wk = 0.0025000 k( 316) = ( -0.0820993 0.5131388 0.0820993), wk = 0.0025000 k( 317) = ( -0.0923617 0.5147812 0.0923617), wk = 0.0025000 k( 318) = ( -0.1026241 0.5164235 0.1026241), wk = 0.0025000 k( 319) = ( -0.1128865 0.5180659 0.1128865), wk = 0.0025000 k( 320) = ( -0.1231489 0.5197082 0.1231489), wk = 0.0025000 k( 321) = ( -0.1334113 0.5213506 0.1334113), wk = 0.0025000 k( 322) = ( -0.1436737 0.5229929 0.1436737), wk = 0.0025000 k( 323) = ( -0.1539361 0.5246353 0.1539361), wk = 0.0025000 k( 324) = ( -0.1641985 0.5262777 0.1641985), wk = 0.0025000 k( 325) = ( -0.1744610 0.5279200 0.1744610), wk = 0.0025000 k( 326) = ( -0.1847234 0.5295623 0.1847234), wk = 0.0025000 k( 327) = ( -0.1949858 0.5312047 0.1949858), wk = 0.0025000 k( 328) = ( -0.2052482 0.5328471 0.2052482), wk = 0.0025000 k( 329) = ( -0.2155106 0.5344894 0.2155106), wk = 0.0025000 k( 330) = ( -0.2257730 0.5361318 0.2257730), wk = 0.0025000 k( 331) = ( -0.2360354 0.5377741 0.2360354), wk = 0.0025000 k( 332) = ( -0.2462978 0.5394165 0.2462978), wk = 0.0025000 k( 333) = ( -0.2565602 0.5410588 0.2565602), wk = 0.0025000 k( 334) = ( -0.2668226 0.5427012 0.2668226), wk = 0.0025000 k( 335) = ( -0.2770850 0.5443435 0.2770850), wk = 0.0025000 k( 336) = ( -0.2873475 0.5459859 0.2873475), wk = 0.0025000 k( 337) = ( -0.2976099 0.5476282 0.2976099), wk = 0.0025000 k( 338) = ( -0.3078723 0.5492706 0.3078723), wk = 0.0025000 k( 339) = ( -0.3181347 0.5509129 0.3181347), wk = 0.0025000 k( 340) = ( -0.3283971 0.5525553 0.3283971), wk = 0.0025000 k( 341) = ( -0.3386595 0.5541976 0.3386595), wk = 0.0025000 k( 342) = ( -0.3489219 0.5558400 0.3489219), wk = 0.0025000 k( 343) = ( -0.3591843 0.5574824 0.3591843), wk = 0.0025000 k( 344) = ( -0.3694467 0.5591247 0.3694467), wk = 0.0025000 k( 345) = ( -0.3797091 0.5607671 0.3797091), wk = 0.0025000 k( 346) = ( -0.3899715 0.5624094 0.3899715), wk = 0.0025000 k( 347) = ( -0.4002340 0.5640518 0.4002340), wk = 0.0025000 k( 348) = ( -0.4104964 0.5656941 0.4104964), wk = 0.0025000 k( 349) = ( -0.4207588 0.5673365 0.4207588), wk = 0.0025000 k( 350) = ( -0.4310212 0.5689788 0.4310212), wk = 0.0025000 k( 351) = ( -0.4310212 0.5689788 0.4310212), wk = 0.0025000 k( 352) = ( -0.4372920 0.5627080 0.4372920), wk = 0.0025000 k( 353) = ( -0.4435628 0.5564372 0.4435628), wk = 0.0025000 k( 354) = ( -0.4498336 0.5501664 0.4498336), wk = 0.0025000 k( 355) = ( -0.4561044 0.5438956 0.4561044), wk = 0.0025000 k( 356) = ( -0.4623752 0.5376248 0.4623752), wk = 0.0025000 k( 357) = ( -0.4686460 0.5313540 0.4686460), wk = 0.0025000 k( 358) = ( -0.4749168 0.5250832 0.4749168), wk = 0.0025000 k( 359) = ( -0.4811876 0.5188124 0.4811876), wk = 0.0025000 k( 360) = ( -0.4874584 0.5125416 0.4874584), wk = 0.0025000 k( 361) = ( -0.4937292 0.5062708 0.4937292), wk = 0.0025000 k( 362) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 364) = ( 0.0067568 0.0067568 0.4932432), wk = 0.0025000 k( 365) = ( 0.0135135 0.0135135 0.4864865), wk = 0.0025000 k( 366) = ( 0.0202703 0.0202703 0.4797297), wk = 0.0025000 k( 367) = ( 0.0270270 0.0270270 0.4729730), wk = 0.0025000 k( 368) = ( 0.0337838 0.0337838 0.4662162), wk = 0.0025000 k( 369) = ( 0.0405405 0.0405405 0.4594595), wk = 0.0025000 k( 370) = ( 0.0472973 0.0472973 0.4527027), wk = 0.0025000 k( 371) = ( 0.0540540 0.0540540 0.4459459), wk = 0.0025000 k( 372) = ( 0.0608108 0.0608108 0.4391892), wk = 0.0025000 k( 373) = ( 0.0675676 0.0675676 0.4324324), wk = 0.0025000 k( 374) = ( 0.0743243 0.0743243 0.4256757), wk = 0.0025000 k( 375) = ( 0.0810811 0.0810811 0.4189189), wk = 0.0025000 k( 376) = ( 0.0878378 0.0878378 0.4121622), wk = 0.0025000 k( 377) = ( 0.0945946 0.0945946 0.4054054), wk = 0.0025000 k( 378) = ( 0.1013514 0.1013513 0.3986486), wk = 0.0025000 k( 379) = ( 0.1081081 0.1081081 0.3918919), wk = 0.0025000 k( 380) = ( 0.1148649 0.1148649 0.3851351), wk = 0.0025000 k( 381) = ( 0.1216216 0.1216216 0.3783784), wk = 0.0025000 k( 382) = ( 0.1283784 0.1283784 0.3716216), wk = 0.0025000 k( 383) = ( 0.1351351 0.1351351 0.3648649), wk = 0.0025000 k( 384) = ( 0.1418919 0.1418919 0.3581081), wk = 0.0025000 k( 385) = ( 0.1486486 0.1486486 0.3513514), wk = 0.0025000 k( 386) = ( 0.1554054 0.1554054 0.3445946), wk = 0.0025000 k( 387) = ( 0.1621622 0.1621622 0.3378378), wk = 0.0025000 k( 388) = ( 0.1689189 0.1689189 0.3310811), wk = 0.0025000 k( 389) = ( 0.1756757 0.1756757 0.3243243), wk = 0.0025000 k( 390) = ( 0.1824324 0.1824324 0.3175676), wk = 0.0025000 k( 391) = ( 0.1891892 0.1891892 0.3108108), wk = 0.0025000 k( 392) = ( 0.1959460 0.1959459 0.3040541), wk = 0.0025000 k( 393) = ( 0.2027027 0.2027027 0.2972973), wk = 0.0025000 k( 394) = ( 0.2094595 0.2094595 0.2905405), wk = 0.0025000 k( 395) = ( 0.2162162 0.2162162 0.2837838), wk = 0.0025000 k( 396) = ( 0.2229730 0.2229730 0.2770270), wk = 0.0025000 k( 397) = ( 0.2297297 0.2297297 0.2702703), wk = 0.0025000 k( 398) = ( 0.2364865 0.2364865 0.2635135), wk = 0.0025000 k( 399) = ( 0.2432432 0.2432432 0.2567568), wk = 0.0025000 k( 400) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025000 Dense grid: 35351 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 13553 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 98, 56) NL pseudopotentials 0.12 Mb ( 49, 164) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 981) G-vector shells 0.00 Mb ( 460) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 98, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.28 Mb ( 164, 2, 56) The potential is recalculated from file : ./Ni2B.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.6 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.2 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.9 secs Computing kpt #: 22 total cpu time spent up to now is 11.2 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.8 secs Computing kpt #: 25 total cpu time spent up to now is 12.2 secs Computing kpt #: 26 total cpu time spent up to now is 12.5 secs Computing kpt #: 27 total cpu time spent up to now is 12.9 secs Computing kpt #: 28 total cpu time spent up to now is 13.2 secs Computing kpt #: 29 total cpu time spent up to now is 13.6 secs Computing kpt #: 30 total cpu time spent up to now is 14.0 secs Computing kpt #: 31 total cpu time spent up to now is 14.5 secs Computing kpt #: 32 total cpu time spent up to now is 15.0 secs Computing kpt #: 33 total cpu time spent up to now is 15.4 secs Computing kpt #: 34 total cpu time spent up to now is 15.9 secs Computing kpt #: 35 total cpu time spent up to now is 16.4 secs Computing kpt #: 36 total cpu time spent up to now is 16.9 secs Computing kpt #: 37 total cpu time spent up to now is 17.3 secs Computing kpt #: 38 total cpu time spent up to now is 17.8 secs Computing kpt #: 39 total cpu time spent up to now is 18.2 secs Computing kpt #: 40 total cpu time spent up to now is 18.7 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.6 secs Computing kpt #: 43 total cpu time spent up to now is 20.0 secs Computing kpt #: 44 total cpu time spent up to now is 20.4 secs Computing kpt #: 45 total cpu time spent up to now is 20.8 secs Computing kpt #: 46 total cpu time spent up to now is 21.3 secs Computing kpt #: 47 total cpu time spent up to now is 21.7 secs Computing kpt #: 48 total cpu time spent up to now is 22.1 secs Computing kpt #: 49 total cpu time spent up to now is 22.5 secs Computing kpt #: 50 total cpu time spent up to now is 22.9 secs Computing kpt #: 51 total cpu time spent up to now is 23.3 secs Computing kpt #: 52 total cpu time spent up to now is 23.8 secs Computing kpt #: 53 total cpu time spent up to now is 24.2 secs Computing kpt #: 54 total cpu time spent up to now is 24.7 secs Computing kpt #: 55 total cpu time spent up to now is 25.1 secs Computing kpt #: 56 total cpu time spent up to now is 25.5 secs Computing kpt #: 57 total cpu time spent up to now is 26.0 secs Computing kpt #: 58 total cpu time spent up to now is 26.5 secs Computing kpt #: 59 total cpu time spent up to now is 27.0 secs Computing kpt #: 60 total cpu time spent up to now is 27.5 secs Computing kpt #: 61 total cpu time spent up to now is 28.0 secs Computing kpt #: 62 total cpu time spent up to now is 28.4 secs Computing kpt #: 63 total cpu time spent up to now is 28.9 secs Computing kpt #: 64 total cpu time spent up to now is 29.3 secs Computing kpt #: 65 total cpu time spent up to now is 29.8 secs Computing kpt #: 66 total cpu time spent up to now is 30.2 secs Computing kpt #: 67 total cpu time spent up to now is 30.6 secs Computing kpt #: 68 total cpu time spent up to now is 30.9 secs Computing kpt #: 69 total cpu time spent up to now is 31.2 secs Computing kpt #: 70 total cpu time spent up to now is 31.6 secs Computing kpt #: 71 total cpu time spent up to now is 31.9 secs Computing kpt #: 72 total cpu time spent up to now is 32.3 secs Computing kpt #: 73 total cpu time spent up to now is 32.6 secs Computing kpt #: 74 total cpu time spent up to now is 32.9 secs Computing kpt #: 75 total cpu time spent up to now is 33.2 secs Computing kpt #: 76 total cpu time spent up to now is 33.5 secs Computing kpt #: 77 total cpu time spent up to now is 33.8 secs Computing kpt #: 78 total cpu time spent up to now is 34.1 secs Computing kpt #: 79 total cpu time spent up to now is 34.4 secs Computing kpt #: 80 total cpu time spent up to now is 34.7 secs Computing kpt #: 81 total cpu time spent up to now is 35.0 secs Computing kpt #: 82 total cpu time spent up to now is 35.2 secs Computing kpt #: 83 total cpu time spent up to now is 35.5 secs Computing kpt #: 84 total cpu time spent up to now is 35.8 secs Computing kpt #: 85 total cpu time spent up to now is 36.1 secs Computing kpt #: 86 total cpu time spent up to now is 36.4 secs Computing kpt #: 87 total cpu time spent up to now is 36.7 secs Computing kpt #: 88 total cpu time spent up to now is 37.0 secs Computing kpt #: 89 total cpu time spent up to now is 37.2 secs Computing kpt #: 90 total cpu time spent up to now is 37.5 secs Computing kpt #: 91 total cpu time spent up to now is 37.8 secs Computing kpt #: 92 total cpu time spent up to now is 38.0 secs Computing kpt #: 93 total cpu time spent up to now is 38.3 secs Computing kpt #: 94 total cpu time spent up to now is 38.6 secs Computing kpt #: 95 total cpu time spent up to now is 38.9 secs Computing kpt #: 96 total cpu time spent up to now is 39.1 secs Computing kpt #: 97 total cpu time spent up to now is 39.4 secs Computing kpt #: 98 total cpu time spent up to now is 39.7 secs Computing kpt #: 99 total cpu time spent up to now is 40.0 secs Computing kpt #: 100 total cpu time spent up to now is 40.3 secs Computing kpt #: 101 total cpu time spent up to now is 40.6 secs Computing kpt #: 102 total cpu time spent up to now is 40.9 secs Computing kpt #: 103 total cpu time spent up to now is 41.1 secs Computing kpt #: 104 total cpu time spent up to now is 41.4 secs Computing kpt #: 105 total cpu time spent up to now is 41.7 secs Computing kpt #: 106 total cpu time spent up to now is 42.0 secs Computing kpt #: 107 total cpu time spent up to now is 42.3 secs Computing kpt #: 108 total cpu time spent up to now is 42.6 secs Computing kpt #: 109 total cpu time spent up to now is 42.9 secs Computing kpt #: 110 total cpu time spent up to now is 43.2 secs Computing kpt #: 111 total cpu time spent up to now is 43.5 secs Computing kpt #: 112 total cpu time spent up to now is 43.8 secs Computing kpt #: 113 total cpu time spent up to now is 44.0 secs Computing kpt #: 114 total cpu time spent up to now is 44.3 secs Computing kpt #: 115 total cpu time spent up to now is 44.6 secs Computing kpt #: 116 total cpu time spent up to now is 44.9 secs Computing kpt #: 117 total cpu time spent up to now is 45.3 secs Computing kpt #: 118 total cpu time spent up to now is 45.8 secs Computing kpt #: 119 total cpu time spent up to now is 46.2 secs Computing kpt #: 120 total cpu time spent up to now is 46.5 secs Computing kpt #: 121 total cpu time spent up to now is 46.9 secs Computing kpt #: 122 total cpu time spent up to now is 47.2 secs Computing kpt #: 123 total cpu time spent up to now is 47.5 secs Computing kpt #: 124 total cpu time spent up to now is 47.8 secs Computing kpt #: 125 total cpu time spent up to now is 48.1 secs Computing kpt #: 126 total cpu time spent up to now is 48.4 secs Computing kpt #: 127 total cpu time spent up to now is 48.7 secs Computing kpt #: 128 total cpu time spent up to now is 49.0 secs Computing kpt #: 129 total cpu time spent up to now is 49.3 secs Computing kpt #: 130 total cpu time spent up to now is 49.6 secs Computing kpt #: 131 total cpu time spent up to now is 50.0 secs Computing kpt #: 132 total cpu time spent up to now is 50.3 secs Computing kpt #: 133 total cpu time spent up to now is 50.6 secs Computing kpt #: 134 total cpu time spent up to now is 50.9 secs Computing kpt #: 135 total cpu time spent up to now is 51.2 secs Computing kpt #: 136 total cpu time spent up to now is 51.5 secs Computing kpt #: 137 total cpu time spent up to now is 51.9 secs Computing kpt #: 138 total cpu time spent up to now is 52.2 secs Computing kpt #: 139 total cpu time spent up to now is 52.5 secs Computing kpt #: 140 total cpu time spent up to now is 52.8 secs Computing kpt #: 141 total cpu time spent up to now is 53.1 secs Computing kpt #: 142 total cpu time spent up to now is 53.4 secs Computing kpt #: 143 total cpu time spent up to now is 53.7 secs Computing kpt #: 144 total cpu time spent up to now is 54.1 secs Computing kpt #: 145 total cpu time spent up to now is 54.4 secs Computing kpt #: 146 total cpu time spent up to now is 54.7 secs Computing kpt #: 147 total cpu time spent up to now is 55.0 secs Computing kpt #: 148 total cpu time spent up to now is 55.3 secs Computing kpt #: 149 total cpu time spent up to now is 55.6 secs Computing kpt #: 150 total cpu time spent up to now is 55.9 secs Computing kpt #: 151 total cpu time spent up to now is 56.3 secs Computing kpt #: 152 total cpu time spent up to now is 56.6 secs Computing kpt #: 153 total cpu time spent up to now is 56.9 secs Computing kpt #: 154 total cpu time spent up to now is 57.2 secs Computing kpt #: 155 total cpu time spent up to now is 57.6 secs Computing kpt #: 156 total cpu time spent up to now is 57.9 secs Computing kpt #: 157 total cpu time spent up to now is 58.2 secs Computing kpt #: 158 total cpu time spent up to now is 58.6 secs Computing kpt #: 159 total cpu time spent up to now is 58.9 secs Computing kpt #: 160 total cpu time spent up to now is 59.2 secs Computing kpt #: 161 total cpu time spent up to now is 59.6 secs Computing kpt #: 162 total cpu time spent up to now is 59.9 secs Computing kpt #: 163 total cpu time spent up to now is 60.2 secs Computing kpt #: 164 total cpu time spent up to now is 60.5 secs Computing kpt #: 165 total cpu time spent up to now is 60.9 secs Computing kpt #: 166 total cpu time spent up to now is 61.2 secs Computing kpt #: 167 total cpu time spent up to now is 61.7 secs Computing kpt #: 168 total cpu time spent up to now is 62.1 secs Computing kpt #: 169 total cpu time spent up to now is 62.6 secs Computing kpt #: 170 total cpu time spent up to now is 63.0 secs Computing kpt #: 171 total cpu time spent up to now is 63.5 secs Computing kpt #: 172 total cpu time spent up to now is 63.9 secs Computing kpt #: 173 total cpu time spent up to now is 64.3 secs Computing kpt #: 174 total cpu time spent up to now is 64.7 secs Computing kpt #: 175 total cpu time spent up to now is 65.1 secs Computing kpt #: 176 total cpu time spent up to now is 65.4 secs Computing kpt #: 177 total cpu time spent up to now is 65.8 secs Computing kpt #: 178 total cpu time spent up to now is 66.1 secs Computing kpt #: 179 total cpu time spent up to now is 66.5 secs Computing kpt #: 180 total cpu time spent up to now is 66.8 secs Computing kpt #: 181 total cpu time spent up to now is 67.1 secs Computing kpt #: 182 total cpu time spent up to now is 67.5 secs Computing kpt #: 183 total cpu time spent up to now is 67.8 secs Computing kpt #: 184 total cpu time spent up to now is 68.1 secs Computing kpt #: 185 total cpu time spent up to now is 68.4 secs Computing kpt #: 186 total cpu time spent up to now is 68.7 secs Computing kpt #: 187 total cpu time spent up to now is 69.0 secs Computing kpt #: 188 total cpu time spent up to now is 69.3 secs Computing kpt #: 189 total cpu time spent up to now is 69.6 secs Computing kpt #: 190 total cpu time spent up to now is 70.0 secs Computing kpt #: 191 total cpu time spent up to now is 70.3 secs Computing kpt #: 192 total cpu time spent up to now is 70.6 secs Computing kpt #: 193 total cpu time spent up to now is 71.0 secs Computing kpt #: 194 total cpu time spent up to now is 71.3 secs Computing kpt #: 195 total cpu time spent up to now is 71.7 secs Computing kpt #: 196 total cpu time spent up to now is 72.0 secs Computing kpt #: 197 total cpu time spent up to now is 72.3 secs Computing kpt #: 198 total cpu time spent up to now is 72.6 secs Computing kpt #: 199 total cpu time spent up to now is 72.9 secs Computing kpt #: 200 total cpu time spent up to now is 73.1 secs Computing kpt #: 201 total cpu time spent up to now is 73.4 secs Computing kpt #: 202 total cpu time spent up to now is 73.7 secs Computing kpt #: 203 total cpu time spent up to now is 74.0 secs Computing kpt #: 204 total cpu time spent up to now is 74.3 secs Computing kpt #: 205 total cpu time spent up to now is 74.6 secs Computing kpt #: 206 total cpu time spent up to now is 74.9 secs Computing kpt #: 207 total cpu time spent up to now is 75.2 secs Computing kpt #: 208 total cpu time spent up to now is 75.5 secs Computing kpt #: 209 total cpu time spent up to now is 75.8 secs Computing kpt #: 210 total cpu time spent up to now is 76.0 secs Computing kpt #: 211 total cpu time spent up to now is 76.3 secs Computing kpt #: 212 total cpu time spent up to now is 76.6 secs Computing kpt #: 213 total cpu time spent up to now is 76.9 secs Computing kpt #: 214 total cpu time spent up to now is 77.2 secs Computing kpt #: 215 total cpu time spent up to now is 77.5 secs Computing kpt #: 216 total cpu time spent up to now is 77.8 secs Computing kpt #: 217 total cpu time spent up to now is 78.1 secs Computing kpt #: 218 total cpu time spent up to now is 78.4 secs Computing kpt #: 219 total cpu time spent up to now is 78.7 secs Computing kpt #: 220 total cpu time spent up to now is 79.0 secs Computing kpt #: 221 total cpu time spent up to now is 79.3 secs Computing kpt #: 222 total cpu time spent up to now is 79.6 secs Computing kpt #: 223 total cpu time spent up to now is 79.8 secs Computing kpt #: 224 total cpu time spent up to now is 80.1 secs Computing kpt #: 225 total cpu time spent up to now is 80.4 secs Computing kpt #: 226 total cpu time spent up to now is 80.7 secs Computing kpt #: 227 total cpu time spent up to now is 81.1 secs Computing kpt #: 228 total cpu time spent up to now is 81.4 secs Computing kpt #: 229 total cpu time spent up to now is 81.7 secs Computing kpt #: 230 total cpu time spent up to now is 82.0 secs Computing kpt #: 231 total cpu time spent up to now is 82.3 secs Computing kpt #: 232 total cpu time spent up to now is 82.6 secs Computing kpt #: 233 total cpu time spent up to now is 82.9 secs Computing kpt #: 234 total cpu time spent up to now is 83.2 secs Computing kpt #: 235 total cpu time spent up to now is 83.5 secs Computing kpt #: 236 total cpu time spent up to now is 83.8 secs Computing kpt #: 237 total cpu time spent up to now is 84.1 secs Computing kpt #: 238 total cpu time spent up to now is 84.4 secs Computing kpt #: 239 total cpu time spent up to now is 84.7 secs Computing kpt #: 240 total cpu time spent up to now is 85.1 secs Computing kpt #: 241 total cpu time spent up to now is 85.3 secs Computing kpt #: 242 total cpu time spent up to now is 85.6 secs Computing kpt #: 243 total cpu time spent up to now is 86.0 secs Computing kpt #: 244 total cpu time spent up to now is 86.2 secs Computing kpt #: 245 total cpu time spent up to now is 86.5 secs Computing kpt #: 246 total cpu time spent up to now is 86.8 secs Computing kpt #: 247 total cpu time spent up to now is 87.1 secs Computing kpt #: 248 total cpu time spent up to now is 87.4 secs Computing kpt #: 249 total cpu time spent up to now is 87.8 secs Computing kpt #: 250 total cpu time spent up to now is 88.1 secs Computing kpt #: 251 total cpu time spent up to now is 88.4 secs Computing kpt #: 252 total cpu time spent up to now is 88.7 secs Computing kpt #: 253 total cpu time spent up to now is 89.0 secs Computing kpt #: 254 total cpu time spent up to now is 89.3 secs Computing kpt #: 255 total cpu time spent up to now is 89.6 secs Computing kpt #: 256 total cpu time spent up to now is 89.9 secs Computing kpt #: 257 total cpu time spent up to now is 90.2 secs Computing kpt #: 258 total cpu time spent up to now is 90.5 secs Computing kpt #: 259 total cpu time spent up to now is 90.8 secs Computing kpt #: 260 total cpu time spent up to now is 91.2 secs Computing kpt #: 261 total cpu time spent up to now is 91.5 secs Computing kpt #: 262 total cpu time spent up to now is 91.8 secs Computing kpt #: 263 total cpu time spent up to now is 92.2 secs Computing kpt #: 264 total cpu time spent up to now is 92.6 secs Computing kpt #: 265 total cpu time spent up to now is 93.0 secs Computing kpt #: 266 total cpu time spent up to now is 93.8 secs Computing kpt #: 267 total cpu time spent up to now is 94.2 secs Computing kpt #: 268 total cpu time spent up to now is 94.6 secs Computing kpt #: 269 total cpu time spent up to now is 95.0 secs Computing kpt #: 270 total cpu time spent up to now is 95.3 secs Computing kpt #: 271 total cpu time spent up to now is 95.6 secs Computing kpt #: 272 total cpu time spent up to now is 95.9 secs Computing kpt #: 273 total cpu time spent up to now is 96.2 secs Computing kpt #: 274 total cpu time spent up to now is 96.5 secs Computing kpt #: 275 total cpu time spent up to now is 96.8 secs Computing kpt #: 276 total cpu time spent up to now is 97.1 secs Computing kpt #: 277 total cpu time spent up to now is 97.4 secs Computing kpt #: 278 total cpu time spent up to now is 97.7 secs Computing kpt #: 279 total cpu time spent up to now is 98.0 secs Computing kpt #: 280 total cpu time spent up to now is 98.4 secs Computing kpt #: 281 total cpu time spent up to now is 98.7 secs Computing kpt #: 282 total cpu time spent up to now is 99.0 secs Computing kpt #: 283 total cpu time spent up to now is 99.4 secs Computing kpt #: 284 total cpu time spent up to now is 99.7 secs Computing kpt #: 285 total cpu time spent up to now is 100.0 secs Computing kpt #: 286 total cpu time spent up to now is 100.4 secs Computing kpt #: 287 total cpu time spent up to now is 100.7 secs Computing kpt #: 288 total cpu time spent up to now is 101.1 secs Computing kpt #: 289 total cpu time spent up to now is 101.4 secs Computing kpt #: 290 total cpu time spent up to now is 101.8 secs Computing kpt #: 291 total cpu time spent up to now is 102.1 secs Computing kpt #: 292 total cpu time spent up to now is 102.5 secs Computing kpt #: 293 total cpu time spent up to now is 102.9 secs Computing kpt #: 294 total cpu time spent up to now is 103.3 secs Computing kpt #: 295 total cpu time spent up to now is 103.6 secs Computing kpt #: 296 total cpu time spent up to now is 104.0 secs Computing kpt #: 297 total cpu time spent up to now is 104.4 secs Computing kpt #: 298 total cpu time spent up to now is 104.9 secs Computing kpt #: 299 total cpu time spent up to now is 105.3 secs Computing kpt #: 300 total cpu time spent up to now is 105.7 secs Computing kpt #: 301 total cpu time spent up to now is 106.1 secs Computing kpt #: 302 total cpu time spent up to now is 106.6 secs Computing kpt #: 303 total cpu time spent up to now is 107.0 secs Computing kpt #: 304 total cpu time spent up to now is 107.4 secs Computing kpt #: 305 total cpu time spent up to now is 107.9 secs Computing kpt #: 306 total cpu time spent up to now is 108.3 secs Computing kpt #: 307 total cpu time spent up to now is 108.8 secs Computing kpt #: 308 total cpu time spent up to now is 109.2 secs Computing kpt #: 309 total cpu time spent up to now is 109.6 secs Computing kpt #: 310 total cpu time spent up to now is 110.0 secs Computing kpt #: 311 total cpu time spent up to now is 110.3 secs Computing kpt #: 312 total cpu time spent up to now is 110.7 secs Computing kpt #: 313 total cpu time spent up to now is 111.0 secs Computing kpt #: 314 total cpu time spent up to now is 111.3 secs Computing kpt #: 315 total cpu time spent up to now is 111.7 secs Computing kpt #: 316 total cpu time spent up to now is 112.0 secs Computing kpt #: 317 total cpu time spent up to now is 112.3 secs Computing kpt #: 318 total cpu time spent up to now is 112.6 secs Computing kpt #: 319 total cpu time spent up to now is 113.0 secs Computing kpt #: 320 total cpu time spent up to now is 113.3 secs Computing kpt #: 321 total cpu time spent up to now is 113.6 secs Computing kpt #: 322 total cpu time spent up to now is 113.9 secs Computing kpt #: 323 total cpu time spent up to now is 114.2 secs Computing kpt #: 324 total cpu time spent up to now is 114.5 secs Computing kpt #: 325 total cpu time spent up to now is 114.8 secs Computing kpt #: 326 total cpu time spent up to now is 115.1 secs Computing kpt #: 327 total cpu time spent up to now is 115.4 secs Computing kpt #: 328 total cpu time spent up to now is 115.8 secs Computing kpt #: 329 total cpu time spent up to now is 116.1 secs Computing kpt #: 330 total cpu time spent up to now is 116.4 secs Computing kpt #: 331 total cpu time spent up to now is 116.7 secs Computing kpt #: 332 total cpu time spent up to now is 117.0 secs Computing kpt #: 333 total cpu time spent up to now is 117.3 secs Computing kpt #: 334 total cpu time spent up to now is 117.6 secs Computing kpt #: 335 total cpu time spent up to now is 117.9 secs Computing kpt #: 336 total cpu time spent up to now is 118.2 secs Computing kpt #: 337 total cpu time spent up to now is 118.5 secs Computing kpt #: 338 total cpu time spent up to now is 118.9 secs Computing kpt #: 339 total cpu time spent up to now is 119.2 secs Computing kpt #: 340 total cpu time spent up to now is 119.5 secs Computing kpt #: 341 total cpu time spent up to now is 119.8 secs Computing kpt #: 342 total cpu time spent up to now is 120.1 secs Computing kpt #: 343 total cpu time spent up to now is 120.4 secs Computing kpt #: 344 total cpu time spent up to now is 120.7 secs Computing kpt #: 345 total cpu time spent up to now is 121.0 secs Computing kpt #: 346 total cpu time spent up to now is 121.3 secs Computing kpt #: 347 total cpu time spent up to now is 121.6 secs Computing kpt #: 348 total cpu time spent up to now is 121.9 secs Computing kpt #: 349 total cpu time spent up to now is 122.2 secs Computing kpt #: 350 total cpu time spent up to now is 122.5 secs Computing kpt #: 351 total cpu time spent up to now is 122.8 secs Computing kpt #: 352 total cpu time spent up to now is 123.1 secs Computing kpt #: 353 total cpu time spent up to now is 123.4 secs Computing kpt #: 354 total cpu time spent up to now is 123.6 secs Computing kpt #: 355 total cpu time spent up to now is 123.9 secs Computing kpt #: 356 total cpu time spent up to now is 124.2 secs Computing kpt #: 357 total cpu time spent up to now is 124.5 secs Computing kpt #: 358 total cpu time spent up to now is 124.7 secs Computing kpt #: 359 total cpu time spent up to now is 125.0 secs Computing kpt #: 360 total cpu time spent up to now is 125.3 secs Computing kpt #: 361 total cpu time spent up to now is 125.6 secs Computing kpt #: 362 total cpu time spent up to now is 125.8 secs Computing kpt #: 363 total cpu time spent up to now is 126.2 secs Computing kpt #: 364 total cpu time spent up to now is 126.7 secs Computing kpt #: 365 total cpu time spent up to now is 127.1 secs Computing kpt #: 366 total cpu time spent up to now is 127.5 secs Computing kpt #: 367 total cpu time spent up to now is 128.0 secs Computing kpt #: 368 total cpu time spent up to now is 128.4 secs Computing kpt #: 369 total cpu time spent up to now is 129.0 secs Computing kpt #: 370 total cpu time spent up to now is 129.5 secs Computing kpt #: 371 total cpu time spent up to now is 130.0 secs Computing kpt #: 372 total cpu time spent up to now is 130.4 secs Computing kpt #: 373 total cpu time spent up to now is 130.8 secs Computing kpt #: 374 total cpu time spent up to now is 131.2 secs Computing kpt #: 375 total cpu time spent up to now is 131.6 secs Computing kpt #: 376 total cpu time spent up to now is 131.9 secs Computing kpt #: 377 total cpu time spent up to now is 132.2 secs Computing kpt #: 378 total cpu time spent up to now is 132.5 secs Computing kpt #: 379 total cpu time spent up to now is 132.8 secs Computing kpt #: 380 total cpu time spent up to now is 133.2 secs Computing kpt #: 381 total cpu time spent up to now is 133.5 secs Computing kpt #: 382 total cpu time spent up to now is 133.8 secs Computing kpt #: 383 total cpu time spent up to now is 134.1 secs Computing kpt #: 384 total cpu time spent up to now is 134.5 secs Computing kpt #: 385 total cpu time spent up to now is 134.8 secs Computing kpt #: 386 total cpu time spent up to now is 135.1 secs Computing kpt #: 387 total cpu time spent up to now is 135.4 secs Computing kpt #: 388 total cpu time spent up to now is 135.8 secs Computing kpt #: 389 total cpu time spent up to now is 136.1 secs Computing kpt #: 390 total cpu time spent up to now is 136.5 secs Computing kpt #: 391 total cpu time spent up to now is 136.9 secs Computing kpt #: 392 total cpu time spent up to now is 137.3 secs Computing kpt #: 393 total cpu time spent up to now is 138.1 secs Computing kpt #: 394 total cpu time spent up to now is 138.7 secs Computing kpt #: 395 total cpu time spent up to now is 139.1 secs Computing kpt #: 396 total cpu time spent up to now is 139.4 secs Computing kpt #: 397 total cpu time spent up to now is 139.8 secs Computing kpt #: 398 total cpu time spent up to now is 140.1 secs Computing kpt #: 399 total cpu time spent up to now is 140.4 secs Computing kpt #: 400 total cpu time spent up to now is 140.7 secs ethr = 2.17E-08, avg # of iterations = 17.3 total cpu time spent up to now is 140.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): 1.7754 1.7754 8.0953 8.0953 9.2482 9.2482 9.6171 9.6171 9.8660 9.8660 9.9450 9.9450 10.7316 10.7316 10.8037 10.8037 10.8574 10.8574 10.9080 10.9080 10.9394 10.9394 11.2813 11.2813 12.0798 12.0798 12.2755 12.2755 12.5663 12.5663 12.8027 12.8027 12.8945 12.8945 12.9677 12.9677 13.3131 13.3131 13.4298 13.4298 13.7840 13.7840 14.6827 14.6827 15.5346 15.5346 15.6469 15.6469 16.8647 16.8647 16.9165 16.9165 18.3134 18.3134 18.3764 18.3764 k = 0.0000 0.0000 0.0130 ( 1681 PWs) bands (ev): 1.7767 1.7767 8.0956 8.0956 9.2450 9.2450 9.6054 9.6054 9.8730 9.8730 9.9505 9.9505 10.7318 10.7318 10.8037 10.8037 10.8572 10.8572 10.9075 10.9075 10.9387 10.9387 11.2814 11.2814 12.0802 12.0802 12.2754 12.2754 12.5661 12.5661 12.8015 12.8015 12.8924 12.8924 12.9704 12.9704 13.3136 13.3136 13.4301 13.4301 13.7841 13.7841 14.6818 14.6818 15.5322 15.5322 15.6442 15.6442 16.8632 16.8632 16.9150 16.9150 18.3167 18.3167 18.3795 18.3795 k = 0.0000 0.0000 0.0259 ( 1681 PWs) bands (ev): 1.7804 1.7804 8.0966 8.0966 9.2354 9.2354 9.5740 9.5740 9.8903 9.8903 9.9664 9.9664 10.7324 10.7324 10.8035 10.8035 10.8569 10.8569 10.9061 10.9061 10.9370 10.9370 11.2815 11.2815 12.0813 12.0813 12.2752 12.2752 12.5657 12.5657 12.7979 12.7979 12.8871 12.8871 12.9775 12.9775 13.3149 13.3149 13.4310 13.4310 13.7844 13.7844 14.6791 14.6791 15.5239 15.5239 15.6376 15.6376 16.8587 16.8587 16.9103 16.9103 18.3263 18.3263 18.3891 18.3891 k = 0.0000 0.0000 0.0389 ( 1681 PWs) bands (ev): 1.7867 1.7867 8.0984 8.0984 9.2200 9.2200 9.5298 9.5298 9.9121 9.9121 9.9917 9.9917 10.7335 10.7335 10.8032 10.8032 10.8566 10.8566 10.9034 10.9034 10.9345 10.9345 11.2816 11.2816 12.0831 12.0831 12.2749 12.2749 12.5649 12.5649 12.7919 12.7919 12.8798 12.8798 12.9874 12.9874 13.3170 13.3170 13.4326 13.4326 13.7847 13.7847 14.6746 14.6746 15.5066 15.5066 15.6307 15.6307 16.8513 16.8513 16.9029 16.9029 18.3410 18.3410 18.4048 18.4048 k = 0.0000 0.0000 0.0519 ( 1682 PWs) bands (ev): 1.7955 1.7955 8.1009 8.1009 9.1996 9.1996 9.4771 9.4771 9.9356 9.9356 10.0230 10.0230 10.7350 10.7350 10.8024 10.8024 10.8563 10.8563 10.8993 10.8993 10.9322 10.9322 11.2815 11.2815 12.0856 12.0856 12.2746 12.2746 12.5638 12.5638 12.7838 12.7838 12.8717 12.8717 12.9992 12.9992 13.3198 13.3198 13.4349 13.4349 13.7852 13.7852 14.6685 14.6685 15.4775 15.4775 15.6273 15.6273 16.8407 16.8407 16.8927 16.8927 18.3594 18.3594 18.4265 18.4265 k = 0.0000 0.0000 0.0648 ( 1682 PWs) bands (ev): 1.8068 1.8068 8.1040 8.1040 9.1751 9.1751 9.4188 9.4188 9.9607 9.9607 10.0572 10.0572 10.7367 10.7367 10.8007 10.8007 10.8565 10.8565 10.8942 10.8942 10.9304 10.9304 11.2811 11.2811 12.0887 12.0887 12.2743 12.2743 12.5624 12.5624 12.7738 12.7738 12.8632 12.8632 13.0118 13.0118 13.3232 13.3232 13.4379 13.4379 13.7859 13.7859 14.6610 14.6610 15.4368 15.4368 15.6283 15.6283 16.8272 16.8272 16.8803 16.8803 18.3799 18.3799 18.4541 18.4541 k = 0.0000 0.0000 0.0778 ( 1676 PWs) bands (ev): 1.8205 1.8205 8.1079 8.1079 9.1470 9.1470 9.3561 9.3561 9.9871 9.9871 10.0921 10.0921 10.7388 10.7388 10.7981 10.7981 10.8572 10.8572 10.8886 10.8886 10.9291 10.9291 11.2801 11.2801 12.0926 12.0926 12.2745 12.2745 12.5609 12.5609 12.7624 12.7624 12.8546 12.8546 13.0250 13.0250 13.3271 13.3271 13.4418 13.4418 13.7869 13.7869 14.6523 14.6523 15.3865 15.3865 15.6331 15.6331 16.8105 16.8105 16.8660 16.8660 18.4012 18.4012 18.4871 18.4871 k = 0.0000 0.0000 0.0908 ( 1676 PWs) bands (ev): 1.8367 1.8367 8.1124 8.1124 9.1163 9.1163 9.2896 9.2896 10.0148 10.0148 10.1258 10.1258 10.7410 10.7410 10.7942 10.7942 10.8581 10.8581 10.8839 10.8839 10.9285 10.9285 11.2783 11.2783 12.0970 12.0970 12.2745 12.2745 12.5588 12.5588 12.7497 12.7497 12.8456 12.8456 13.0383 13.0383 13.3312 13.3312 13.4466 13.4466 13.7878 13.7878 14.6426 14.6426 15.3287 15.3287 15.6406 15.6406 16.7906 16.7906 16.8504 16.8504 18.4221 18.4221 18.5254 18.5254 k = 0.0000 0.0000 0.1037 ( 1676 PWs) bands (ev): 1.8553 1.8553 8.1176 8.1176 9.0836 9.0836 9.2197 9.2197 10.0433 10.0433 10.1574 10.1574 10.7432 10.7432 10.7892 10.7892 10.8587 10.8587 10.8817 10.8817 10.9281 10.9281 11.2756 11.2756 12.1019 12.1019 12.2750 12.2750 12.5565 12.5565 12.7362 12.7362 12.8362 12.8362 13.0516 13.0516 13.3354 13.3354 13.4524 13.4524 13.7890 13.7890 14.6321 14.6321 15.2655 15.2655 15.6498 15.6498 16.7675 16.7675 16.8338 16.8338 18.4423 18.4423 18.5686 18.5686 k = 0.0000 0.0000 0.1167 ( 1676 PWs) bands (ev): 1.8764 1.8764 8.1234 8.1234 9.0493 9.0493 9.1466 9.1466 10.0724 10.0724 10.1860 10.1860 10.7448 10.7448 10.7834 10.7834 10.8590 10.8590 10.8829 10.8829 10.9280 10.9280 11.2719 11.2719 12.1074 12.1074 12.2759 12.2759 12.5538 12.5538 12.7221 12.7221 12.8265 12.8265 13.0649 13.0649 13.3397 13.3397 13.4592 13.4592 13.7902 13.7902 14.6212 14.6212 15.1985 15.1985 15.6601 15.6601 16.7414 16.7414 16.8166 16.8166 18.4613 18.4613 18.6164 18.6164 k = 0.0000 0.0000 0.1297 ( 1676 PWs) bands (ev): 1.8998 1.8998 8.1298 8.1298 9.0139 9.0139 9.0705 9.0705 10.1016 10.1016 10.2110 10.2110 10.7450 10.7450 10.7779 10.7779 10.8600 10.8600 10.8874 10.8874 10.9278 10.9278 11.2671 11.2671 12.1133 12.1133 12.2774 12.2774 12.5510 12.5510 12.7077 12.7077 12.8162 12.8162 13.0780 13.0780 13.3437 13.3437 13.4669 13.4669 13.7916 13.7916 14.6099 14.6099 15.1289 15.1289 15.6711 15.6711 16.7124 16.7124 16.7991 16.7991 18.4792 18.4792 18.6684 18.6684 k = 0.0000 0.0000 0.1426 ( 1676 PWs) bands (ev): 1.9256 1.9256 8.1368 8.1368 8.9775 8.9775 8.9917 8.9917 10.1307 10.1307 10.2318 10.2318 10.7421 10.7421 10.7743 10.7743 10.8632 10.8632 10.8941 10.8941 10.9276 10.9276 11.2611 11.2611 12.1199 12.1199 12.2798 12.2798 12.5481 12.5481 12.6932 12.6932 12.8054 12.8054 13.0908 13.0908 13.3475 13.3475 13.4755 13.4755 13.7930 13.7930 14.5985 14.5985 15.0579 15.0579 15.6822 15.6822 16.6808 16.6808 16.7814 16.7814 18.4963 18.4963 18.7245 18.7245 k = 0.0000 0.0000 0.1556 ( 1676 PWs) bands (ev): 1.9538 1.9538 8.1445 8.1445 8.9094 8.9094 8.9413 8.9413 10.1593 10.1593 10.2485 10.2485 10.7351 10.7351 10.7740 10.7740 10.8693 10.8693 10.9025 10.9025 10.9273 10.9273 11.2541 11.2541 12.1268 12.1268 12.2828 12.2828 12.5450 12.5450 12.6785 12.6785 12.7940 12.7940 13.1034 13.1034 13.3511 13.3511 13.4850 13.4850 13.7947 13.7947 14.5872 14.5872 14.9864 14.9864 15.6933 15.6933 16.6469 16.6469 16.7637 16.7637 18.5127 18.5127 18.7843 18.7843 k = 0.0000 0.0000 0.1686 ( 1678 PWs) bands (ev): 1.9842 1.9842 8.1527 8.1527 8.8248 8.8248 8.9044 8.9044 10.1871 10.1871 10.2609 10.2609 10.7246 10.7246 10.7761 10.7761 10.8787 10.8787 10.9124 10.9124 10.9269 10.9269 11.2460 11.2460 12.1340 12.1340 12.2867 12.2867 12.5418 12.5418 12.6639 12.6639 12.7820 12.7820 13.1157 13.1157 13.3543 13.3543 13.4953 13.4953 13.7963 13.7963 14.5761 14.5761 14.9151 14.9151 15.7039 15.7039 16.6111 16.6111 16.7461 16.7461 18.5285 18.5285 18.8475 18.8475 k = 0.0000 0.0000 0.1815 ( 1686 PWs) bands (ev): 2.0168 2.0168 8.1614 8.1614 8.7374 8.7374 8.8675 8.8675 10.2135 10.2135 10.2698 10.2698 10.7118 10.7118 10.7799 10.7799 10.8908 10.8908 10.9229 10.9229 10.9269 10.9269 11.2370 11.2370 12.1416 12.1416 12.2914 12.2914 12.5387 12.5387 12.6493 12.6493 12.7693 12.7693 13.1276 13.1276 13.3571 13.3571 13.5061 13.5061 13.7981 13.7981 14.5653 14.5653 14.8448 14.8448 15.7138 15.7138 16.5735 16.5735 16.7286 16.7286 18.5441 18.5441 18.9139 18.9139 k = 0.0000 0.0000 0.1945 ( 1688 PWs) bands (ev): 2.0517 2.0517 8.1708 8.1708 8.6476 8.6476 8.8308 8.8308 10.2372 10.2372 10.2768 10.2768 10.6975 10.6975 10.7846 10.7846 10.9046 10.9046 10.9253 10.9253 10.9372 10.9372 11.2273 11.2273 12.1493 12.1493 12.2971 12.2971 12.5358 12.5358 12.6351 12.6351 12.7562 12.7562 13.1392 13.1392 13.3595 13.3595 13.5174 13.5174 13.8000 13.8000 14.5546 14.5546 14.7763 14.7763 15.7229 15.7229 16.5346 16.5346 16.7113 16.7113 18.5596 18.5596 18.9832 18.9832 k = 0.0000 0.0000 0.2075 ( 1692 PWs) bands (ev): 2.0887 2.0887 8.1806 8.1806 8.5554 8.5554 8.7945 8.7945 10.2542 10.2542 10.2864 10.2864 10.6820 10.6820 10.7898 10.7898 10.9154 10.9154 10.9292 10.9292 10.9518 10.9518 11.2174 11.2174 12.1573 12.1573 12.3036 12.3036 12.5331 12.5331 12.6211 12.6211 12.7425 12.7425 13.1504 13.1504 13.3614 13.3614 13.5290 13.5290 13.8020 13.8020 14.5437 14.5437 14.7103 14.7103 15.7308 15.7308 16.4946 16.4946 16.6944 16.6944 18.5752 18.5752 19.0553 19.0553 k = 0.0000 0.0000 0.2204 ( 1688 PWs) bands (ev): 2.1278 2.1278 8.1910 8.1910 8.4610 8.4610 8.7586 8.7586 10.2603 10.2603 10.3036 10.3036 10.6656 10.6656 10.7956 10.7956 10.9170 10.9170 10.9417 10.9417 10.9685 10.9685 11.2079 11.2079 12.1654 12.1654 12.3111 12.3111 12.5310 12.5310 12.6073 12.6073 12.7285 12.7285 13.1612 13.1612 13.3628 13.3628 13.5409 13.5409 13.8041 13.8041 14.5313 14.5313 14.6492 14.6492 15.7376 15.7376 16.4537 16.4537 16.6779 16.6779 18.5910 18.5910 19.1299 19.1299 k = 0.0000 0.0000 0.2334 ( 1696 PWs) bands (ev): 2.1689 2.1689 8.2017 8.2017 8.3645 8.3645 8.7232 8.7232 10.2594 10.2594 10.3247 10.3247 10.6482 10.6482 10.8017 10.8017 10.9152 10.9152 10.9565 10.9565 10.9863 10.9863 11.1996 11.1996 12.1733 12.1733 12.3193 12.3193 12.5296 12.5296 12.5937 12.5937 12.7140 12.7140 13.1716 13.1716 13.3634 13.3634 13.5526 13.5526 13.8062 13.8062 14.5124 14.5124 14.5976 14.5976 15.7428 15.7428 16.4121 16.4121 16.6618 16.6618 18.6070 18.6070 19.2067 19.2067 k = 0.0000 0.0000 0.2464 ( 1696 PWs) bands (ev): 2.2119 2.2119 8.2128 8.2128 8.2663 8.2663 8.6885 8.6885 10.2556 10.2556 10.3463 10.3463 10.6301 10.6301 10.8080 10.8080 10.9124 10.9124 10.9709 10.9709 11.0034 11.0034 11.1941 11.1941 12.1814 12.1814 12.3281 12.3281 12.5291 12.5291 12.5808 12.5808 12.6994 12.6994 13.1815 13.1815 13.3633 13.3633 13.5644 13.5644 13.8085 13.8085 14.4787 14.4787 14.5648 14.5648 15.7466 15.7466 16.3702 16.3702 16.6462 16.6462 18.6235 18.6235 19.2855 19.2855 k = 0.0000 0.0000 0.2593 ( 1700 PWs) bands (ev): 2.2569 2.2569 8.1665 8.1665 8.2243 8.2243 8.6546 8.6546 10.2506 10.2506 10.3673 10.3673 10.6112 10.6112 10.8145 10.8145 10.9091 10.9091 10.9842 10.9842 11.0176 11.0176 11.1934 11.1934 12.1893 12.1893 12.3374 12.3374 12.5297 12.5297 12.5683 12.5683 12.6846 12.6846 13.1909 13.1909 13.3623 13.3623 13.5758 13.5758 13.8107 13.8107 14.4315 14.4315 14.5497 14.5497 15.7486 15.7486 16.3281 16.3281 16.6311 16.6311 18.6404 18.6404 19.3662 19.3662 k = 0.0000 0.0000 0.2723 ( 1700 PWs) bands (ev): 2.3035 2.3035 8.0655 8.0655 8.2362 8.2362 8.6215 8.6215 10.2451 10.2451 10.3875 10.3875 10.5919 10.5919 10.8211 10.8211 10.9052 10.9052 10.9951 10.9951 11.0281 11.0281 11.1993 11.1993 12.1970 12.1970 12.3469 12.3469 12.5312 12.5312 12.5566 12.5566 12.6698 12.6698 13.2000 13.2000 13.3603 13.3603 13.5871 13.5871 13.8130 13.8130 14.3803 14.3803 14.5429 14.5429 15.7490 15.7490 16.2861 16.2861 16.6165 16.6165 18.6579 18.6579 19.4485 19.4485 k = 0.0000 0.0000 0.2853 ( 1702 PWs) bands (ev): 2.3519 2.3519 7.9633 7.9633 8.2483 8.2483 8.5892 8.5892 10.2396 10.2396 10.4067 10.4067 10.5720 10.5720 10.8278 10.8278 10.9009 10.9009 10.9998 10.9998 11.0374 11.0374 11.2124 11.2124 12.2045 12.2045 12.3563 12.3563 12.5328 12.5328 12.5469 12.5469 12.6550 12.6550 13.2085 13.2085 13.3572 13.3572 13.5980 13.5980 13.8152 13.8152 14.3297 14.3297 14.5402 14.5402 15.7475 15.7475 16.2443 16.2443 16.6026 16.6026 18.6758 18.6758 19.5322 19.5322 k = 0.0000 0.0000 0.2983 ( 1710 PWs) bands (ev): 2.4018 2.4018 7.8604 7.8604 8.2606 8.2606 8.5580 8.5580 10.2346 10.2346 10.4248 10.4248 10.5515 10.5515 10.8343 10.8343 10.8960 10.8960 10.9960 10.9960 11.0490 11.0490 11.2316 11.2316 12.2114 12.2114 12.3652 12.3652 12.5288 12.5288 12.5448 12.5448 12.6404 12.6404 13.2164 13.2164 13.3527 13.3527 13.6084 13.6084 13.8173 13.8173 14.2816 14.2816 14.5402 14.5402 15.7442 15.7442 16.2029 16.2029 16.5891 16.5891 18.6943 18.6943 19.6171 19.6171 k = 0.0000 0.0000 0.3112 ( 1710 PWs) bands (ev): 2.4531 2.4531 7.7571 7.7571 8.2732 8.2732 8.5278 8.5278 10.2302 10.2302 10.4420 10.4420 10.5310 10.5310 10.8406 10.8406 10.8911 10.8911 10.9849 10.9849 11.0631 11.0631 11.2549 11.2549 12.2181 12.2181 12.3735 12.3735 12.5197 12.5197 12.5503 12.5503 12.6264 12.6264 13.2236 13.2236 13.3468 13.3468 13.6184 13.6184 13.8195 13.8195 14.2364 14.2364 14.5425 14.5425 15.7390 15.7390 16.1622 16.1622 16.5763 16.5763 18.7134 18.7134 19.7028 19.7028 k = 0.0000 0.0000 0.3242 ( 1710 PWs) bands (ev): 2.5057 2.5057 7.6537 7.6537 8.2859 8.2859 8.4987 8.4987 10.2266 10.2266 10.4580 10.4580 10.5105 10.5105 10.8464 10.8464 10.8861 10.8861 10.9695 10.9695 11.0786 11.0786 11.2807 11.2807 12.2242 12.2242 12.3808 12.3808 12.5103 12.5103 12.5584 12.5584 12.6133 12.6133 13.2301 13.2301 13.3395 13.3395 13.6279 13.6279 13.8215 13.8215 14.1946 14.1946 14.5467 14.5467 15.7320 15.7320 16.1223 16.1223 16.5641 16.5641 18.7330 18.7330 19.7892 19.7892 k = 0.0000 0.0000 0.3372 ( 1708 PWs) bands (ev): 2.5594 2.5594 7.5505 7.5505 8.2987 8.2987 8.4707 8.4707 10.2240 10.2240 10.4729 10.4729 10.4900 10.4900 10.8511 10.8511 10.8811 10.8811 10.9516 10.9516 11.0949 11.0949 11.3076 11.3076 12.2299 12.2299 12.3867 12.3867 12.5018 12.5018 12.5679 12.5679 12.6019 12.6019 13.2356 13.2356 13.3308 13.3308 13.6369 13.6369 13.8235 13.8235 14.1564 14.1564 14.5529 14.5529 15.7232 15.7232 16.0834 16.0834 16.5526 16.5526 18.7532 18.7532 19.8760 19.8760 k = 0.0000 0.0000 0.3501 ( 1704 PWs) bands (ev): 2.6140 2.6140 7.4479 7.4479 8.3115 8.3115 8.4439 8.4439 10.2227 10.2227 10.4690 10.4690 10.4875 10.4875 10.8540 10.8540 10.8762 10.8762 10.9332 10.9332 11.1118 11.1118 11.3350 11.3350 12.2351 12.2351 12.3904 12.3904 12.4947 12.4947 12.5756 12.5756 12.5949 12.5949 13.2396 13.2396 13.3212 13.3212 13.6453 13.6453 13.8253 13.8253 14.1219 14.1219 14.5609 14.5609 15.7126 15.7126 16.0455 16.0455 16.5416 16.5416 18.7738 18.7738 19.9628 19.9628 k = 0.0000 0.0000 0.3631 ( 1706 PWs) bands (ev): 2.6693 2.6693 7.3462 7.3462 8.3242 8.3242 8.4183 8.4183 10.2224 10.2224 10.4487 10.4487 10.5005 10.5005 10.8539 10.8539 10.8702 10.8702 10.9171 10.9171 11.1286 11.1286 11.3621 11.3621 12.2397 12.2397 12.3915 12.3915 12.4893 12.4893 12.5738 12.5738 12.6003 12.6003 13.2411 13.2411 13.3113 13.3113 13.6532 13.6532 13.8269 13.8269 14.0911 14.0911 14.5706 14.5706 15.7003 15.7003 16.0089 16.0089 16.5313 16.5313 18.7947 18.7947 20.0493 20.0493 k = 0.0000 0.0000 0.3761 ( 1714 PWs) bands (ev): 2.7251 2.7251 7.2459 7.2459 8.3367 8.3367 8.3940 8.3940 10.2233 10.2233 10.4285 10.4285 10.5126 10.5126 10.8503 10.8503 10.8593 10.8593 10.9076 10.9076 11.1455 11.1455 11.3885 11.3885 12.2439 12.2439 12.3896 12.3896 12.4858 12.4858 12.5680 12.5680 12.6126 12.6126 13.2386 13.2386 13.3029 13.3029 13.6604 13.6604 13.8282 13.8282 14.0638 14.0638 14.5819 14.5819 15.6864 15.6864 15.9736 15.9736 16.5216 16.5216 18.8160 18.8160 20.1349 20.1349 k = 0.0000 0.0000 0.3890 ( 1712 PWs) bands (ev): 2.7812 2.7812 7.1473 7.1473 8.3488 8.3488 8.3713 8.3713 10.2257 10.2257 10.4088 10.4088 10.5239 10.5239 10.8384 10.8384 10.8481 10.8481 10.9060 10.9060 11.1625 11.1625 11.4141 11.4141 12.2476 12.2476 12.3849 12.3849 12.4838 12.4838 12.5639 12.5639 12.6271 12.6271 13.2305 13.2305 13.2976 13.2976 13.6672 13.6672 13.8294 13.8294 14.0403 14.0403 14.5949 14.5949 15.6711 15.6711 15.9399 15.9399 16.5125 16.5125 18.8375 18.8375 20.1991 20.1991 k = 0.0000 0.0000 0.4020 ( 1712 PWs) bands (ev): 2.8371 2.8371 7.0509 7.0509 8.3483 8.3483 8.3623 8.3623 10.2294 10.2294 10.3895 10.3895 10.5344 10.5344 10.8167 10.8167 10.8419 10.8419 10.9085 10.9085 11.1792 11.1792 11.4385 11.4385 12.2509 12.2509 12.3777 12.3777 12.4823 12.4823 12.5629 12.5629 12.6421 12.6421 13.2165 13.2165 13.2958 13.2958 13.6735 13.6735 13.8304 13.8304 14.0201 14.0201 14.6092 14.6092 15.6544 15.6544 15.9077 15.9077 16.5040 16.5040 18.8591 18.8591 20.1940 20.1940 k = 0.0000 0.0000 0.4150 ( 1712 PWs) bands (ev): 2.8927 2.8927 6.9571 6.9571 8.3286 8.3286 8.3735 8.3735 10.2344 10.2344 10.3709 10.3709 10.5439 10.5439 10.7925 10.7925 10.8360 10.8360 10.9127 10.9127 11.1955 11.1955 11.4616 11.4616 12.2538 12.2538 12.3689 12.3689 12.4804 12.4804 12.5655 12.5655 12.6574 12.6574 13.1980 13.1980 13.2965 13.2965 13.6794 13.6794 13.8312 13.8312 14.0031 14.0031 14.6249 14.6249 15.6366 15.6366 15.8773 15.8773 16.4962 16.4962 18.8806 18.8806 20.1881 20.1881 k = 0.0000 0.0000 0.4279 ( 1712 PWs) bands (ev): 2.9474 2.9474 6.8665 6.8665 8.3098 8.3098 8.3848 8.3848 10.2408 10.2408 10.3531 10.3531 10.5526 10.5526 10.7675 10.7675 10.8300 10.8300 10.9176 10.9176 11.2114 11.2114 11.4832 11.4832 12.2563 12.2563 12.3590 12.3590 12.4778 12.4778 12.5718 12.5718 12.6726 12.6726 13.1763 13.1763 13.2985 13.2985 13.6847 13.6847 13.8317 13.8317 13.9889 13.9889 14.6416 14.6416 15.6178 15.6178 15.8486 15.8486 16.4889 16.4889 18.9018 18.9018 20.1831 20.1831 k = 0.0000 0.0000 0.4409 ( 1716 PWs) bands (ev): 3.0009 3.0009 6.7796 6.7796 8.2923 8.2923 8.3955 8.3955 10.2484 10.2484 10.3361 10.3361 10.5604 10.5604 10.7421 10.7421 10.8242 10.8242 10.9226 10.9226 11.2267 11.2267 11.5032 11.5032 12.2582 12.2582 12.3488 12.3488 12.4745 12.4745 12.5811 12.5811 12.6872 12.6872 13.1522 13.1522 13.3011 13.3011 13.6896 13.6896 13.8320 13.8320 13.9772 13.9772 14.6593 14.6593 15.5982 15.5982 15.8219 15.8219 16.4822 16.4822 18.9227 18.9227 20.1790 20.1790 k = 0.0000 0.0000 0.4539 ( 1716 PWs) bands (ev): 3.0527 3.0527 6.6969 6.6969 8.2763 8.2763 8.4058 8.4058 10.2573 10.2573 10.3201 10.3201 10.5672 10.5672 10.7168 10.7168 10.8185 10.8185 10.9275 10.9275 11.2414 11.2414 11.5215 11.5215 12.2596 12.2596 12.3387 12.3387 12.4710 12.4710 12.5930 12.5930 12.7015 12.7015 13.1267 13.1267 13.3038 13.3038 13.6940 13.6940 13.8322 13.8322 13.9676 13.9676 14.6776 14.6776 15.5782 15.5782 15.7971 15.7971 16.4762 16.4762 18.9429 18.9429 20.1760 20.1760 k = 0.0000 0.0000 0.4668 ( 1708 PWs) bands (ev): 3.1024 3.1024 6.6191 6.6191 8.2619 8.2619 8.4155 8.4155 10.2674 10.2674 10.3053 10.3053 10.5729 10.5729 10.6922 10.6922 10.8132 10.8132 10.9323 10.9323 11.2553 11.2553 11.5381 11.5381 12.2603 12.2603 12.3295 12.3295 12.4674 12.4674 12.6069 12.6069 12.7151 12.7151 13.1003 13.1003 13.3066 13.3066 13.6981 13.6981 13.8324 13.8324 13.9601 13.9601 14.6964 14.6964 15.5580 15.5580 15.7745 15.7745 16.4708 16.4708 18.9622 18.9622 20.1739 20.1739 k = 0.0000 0.0000 0.4798 ( 1708 PWs) bands (ev): 3.1492 3.1492 6.5468 6.5468 8.2488 8.2488 8.4243 8.4243 10.2784 10.2784 10.2918 10.2918 10.5770 10.5770 10.6687 10.6687 10.8081 10.8081 10.9367 10.9367 11.2682 11.2682 11.5529 11.5529 12.2600 12.2600 12.3213 12.3213 12.4640 12.4640 12.6222 12.6222 12.7279 12.7279 13.0732 13.0732 13.3092 13.3092 13.7017 13.7017 13.8323 13.8323 13.9540 13.9540 14.7151 14.7151 15.5379 15.5379 15.7541 15.7541 16.4659 16.4659 18.9804 18.9804 20.1728 20.1728 k = 0.0000 0.0000 0.4928 ( 1708 PWs) bands (ev): 3.1927 3.1927 6.4807 6.4807 8.2372 8.2372 8.4323 8.4323 10.2790 10.2790 10.2909 10.2909 10.5788 10.5788 10.6475 10.6475 10.8034 10.8034 10.9407 10.9407 11.2801 11.2801 11.5659 11.5659 12.2586 12.2586 12.3148 12.3148 12.4608 12.4608 12.6386 12.6386 12.7398 12.7398 13.0458 13.0458 13.3115 13.3115 13.7049 13.7049 13.8322 13.8322 13.9491 13.9491 14.7334 14.7334 15.5183 15.5183 15.7359 15.7359 16.4616 16.4616 18.9973 18.9973 20.1724 20.1724 k = 0.0000 0.0000 0.5057 ( 1704 PWs) bands (ev): 3.2323 3.2323 6.4214 6.4214 8.2272 8.2272 8.4395 8.4395 10.2685 10.2685 10.3036 10.3036 10.5763 10.5763 10.6306 10.6306 10.7993 10.7993 10.9443 10.9443 11.2907 11.2907 11.5772 11.5772 12.2563 12.2563 12.3101 12.3101 12.4581 12.4581 12.6556 12.6556 12.7509 12.7509 13.0187 13.0187 13.3137 13.3137 13.7077 13.7077 13.8320 13.8320 13.9453 13.9453 14.7509 14.7509 15.4997 15.4997 15.7200 15.7200 16.4579 16.4579 19.0125 19.0125 20.1726 20.1726 k = 0.0000 0.0000 0.5187 ( 1704 PWs) bands (ev): 3.2671 3.2671 6.3698 6.3698 8.2186 8.2186 8.4456 8.4456 10.2591 10.2591 10.3168 10.3168 10.5674 10.5674 10.6207 10.6207 10.7956 10.7956 10.9474 10.9474 11.2999 11.2999 11.5866 11.5866 12.2530 12.2530 12.3070 12.3070 12.4558 12.4558 12.6727 12.6727 12.7611 12.7611 12.9921 12.9921 13.3155 13.3155 13.7101 13.7101 13.8318 13.8318 13.9424 13.9424 14.7670 14.7670 15.4826 15.4826 15.7065 15.7065 16.4548 16.4548 19.0259 19.0259 20.1733 20.1733 k = 0.0000 0.0000 0.5317 ( 1704 PWs) bands (ev): 3.2967 3.2967 6.3264 6.3264 8.2117 8.2117 8.4507 8.4507 10.2514 10.2514 10.3299 10.3299 10.5535 10.5535 10.6170 10.6170 10.7926 10.7926 10.9500 10.9500 11.3077 11.3077 11.5943 11.5943 12.2494 12.2494 12.3050 12.3050 12.4538 12.4538 12.6891 12.6891 12.7705 12.7705 12.9667 12.9667 13.3170 13.3170 13.7120 13.7120 13.8316 13.8316 13.9402 13.9402 14.7814 14.7814 15.4675 15.4675 15.6954 15.6954 16.4522 16.4522 19.0372 19.0372 20.1743 20.1743 k = 0.0000 0.0000 0.5446 ( 1692 PWs) bands (ev): 3.3205 3.3205 6.2919 6.2919 8.2064 8.2064 8.4548 8.4548 10.2453 10.2453 10.3428 10.3428 10.5384 10.5384 10.6163 10.6163 10.7902 10.7902 10.9521 10.9521 11.3140 11.3140 11.6003 11.6003 12.2461 12.2461 12.3040 12.3040 12.4525 12.4525 12.7038 12.7038 12.7798 12.7798 12.9434 12.9434 13.3183 13.3183 13.7136 13.7136 13.8314 13.8314 13.9388 13.9388 14.7934 14.7934 15.4551 15.4551 15.6868 15.6868 16.4502 16.4502 19.0463 19.0463 20.1754 20.1754 k = 0.0000 0.0000 0.5576 ( 1694 PWs) bands (ev): 3.3378 3.3378 6.2669 6.2669 8.2025 8.2025 8.4577 8.4577 10.2409 10.2409 10.3535 10.3535 10.5249 10.5249 10.6165 10.6165 10.7883 10.7883 10.9536 10.9536 11.3184 11.3184 11.6045 11.6045 12.2435 12.2435 12.3034 12.3034 12.4514 12.4514 12.7155 12.7155 12.7884 12.7884 12.9232 12.9232 13.3192 13.3192 13.7147 13.7147 13.8312 13.8312 13.9378 13.9378 14.8024 14.8024 15.4457 15.4457 15.6806 15.6806 16.4488 16.4488 19.0529 19.0529 20.1763 20.1763 k = 0.0000 0.0000 0.5706 ( 1698 PWs) bands (ev): 3.3484 3.3484 6.2516 6.2516 8.2001 8.2001 8.4594 8.4594 10.2382 10.2382 10.3610 10.3610 10.5155 10.5155 10.6167 10.6167 10.7872 10.7872 10.9544 10.9544 11.3210 11.3210 11.6071 11.6071 12.2418 12.2418 12.3032 12.3032 12.4508 12.4508 12.7230 12.7230 12.7955 12.7955 12.9087 12.9087 13.3197 13.3197 13.7152 13.7152 13.8311 13.8311 13.9372 13.9372 14.8080 14.8080 15.4399 15.4399 15.6768 15.6768 16.4479 16.4479 19.0569 19.0569 20.1769 20.1769 k = 0.0000 0.0000 0.5835 ( 1694 PWs) bands (ev): 3.3520 3.3520 6.2465 6.2465 8.1994 8.1994 8.4600 8.4600 10.2376 10.2376 10.3638 10.3638 10.5122 10.5122 10.6169 10.6169 10.7869 10.7869 10.9547 10.9547 11.3221 11.3221 11.6079 11.6079 12.2413 12.2413 12.3032 12.3032 12.4506 12.4506 12.7257 12.7257 12.7984 12.7984 12.9032 12.9032 13.3198 13.3198 13.7155 13.7155 13.8312 13.8312 13.9370 13.9370 14.8098 14.8098 15.4380 15.4380 15.6756 15.6756 16.4476 16.4476 19.0582 19.0582 20.1771 20.1771 k = 0.0000 0.0000 0.5835 ( 1694 PWs) bands (ev): 3.3520 3.3520 6.2465 6.2465 8.1994 8.1994 8.4600 8.4600 10.2376 10.2376 10.3638 10.3638 10.5122 10.5122 10.6169 10.6169 10.7869 10.7869 10.9547 10.9547 11.3221 11.3221 11.6079 11.6079 12.2413 12.2413 12.3032 12.3032 12.4506 12.4506 12.7257 12.7257 12.7984 12.7984 12.9032 12.9032 13.3198 13.3198 13.7155 13.7155 13.8312 13.8312 13.9370 13.9370 14.8098 14.8098 15.4380 15.4380 15.6756 15.6756 16.4476 16.4476 19.0582 19.0582 20.1771 20.1771 k =-0.0111 0.0067 0.5835 ( 1700 PWs) bands (ev): 3.3530 3.3530 6.2476 6.2476 8.1975 8.1975 8.4605 8.4605 10.2374 10.2374 10.3521 10.3521 10.5136 10.5136 10.6253 10.6253 10.7874 10.7874 10.9543 10.9543 11.3223 11.3223 11.6084 11.6084 12.2415 12.2415 12.3035 12.3035 12.4501 12.4501 12.7246 12.7246 12.7955 12.7955 12.9073 12.9073 13.3193 13.3193 13.7146 13.7146 13.8309 13.8309 13.9361 13.9361 14.8105 14.8105 15.4357 15.4357 15.6643 15.6643 16.4605 16.4605 19.0495 19.0495 20.1765 20.1765 k =-0.0222 0.0134 0.5835 ( 1698 PWs) bands (ev): 3.3561 3.3561 6.2508 6.2508 8.1919 8.1919 8.4624 8.4624 10.2370 10.2370 10.3215 10.3215 10.5165 10.5165 10.6477 10.6477 10.7892 10.7892 10.9538 10.9538 11.3229 11.3229 11.6099 11.6099 12.2424 12.2424 12.3046 12.3046 12.4492 12.4492 12.7215 12.7215 12.7880 12.7880 12.9184 12.9184 13.3185 13.3185 13.7123 13.7123 13.8306 13.8306 13.9338 13.9338 14.8123 14.8123 15.4293 15.4293 15.6328 15.6328 16.4972 16.4972 19.0234 19.0234 20.1752 20.1752 k =-0.0333 0.0201 0.5835 ( 1698 PWs) bands (ev): 3.3613 3.3613 6.2562 6.2562 8.1828 8.1828 8.4656 8.4656 10.2365 10.2365 10.2791 10.2791 10.5194 10.5194 10.6786 10.6786 10.7921 10.7921 10.9528 10.9528 11.3240 11.3240 11.6124 11.6124 12.2439 12.2439 12.3064 12.3064 12.4477 12.4477 12.7159 12.7159 12.7786 12.7786 12.9339 12.9339 13.3169 13.3169 13.7082 13.7082 13.8300 13.8300 13.9298 13.9298 14.8154 14.8154 15.4186 15.4186 15.5856 15.5856 16.5530 16.5530 18.9802 18.9802 20.1743 20.1743 k =-0.0444 0.0267 0.5835 ( 1694 PWs) bands (ev): 3.3685 3.3685 6.2637 6.2637 8.1701 8.1701 8.4701 8.4701 10.2287 10.2287 10.2365 10.2365 10.5220 10.5220 10.7137 10.7137 10.7963 10.7963 10.9513 10.9513 11.3256 11.3256 11.6156 11.6156 12.2458 12.2458 12.3088 12.3088 12.4459 12.4459 12.7079 12.7079 12.7695 12.7695 12.9522 12.9522 13.3148 13.3148 13.7026 13.7026 13.8291 13.8291 13.9242 13.9242 14.8197 14.8197 15.4040 15.4040 15.5278 15.5278 16.6228 16.6228 18.9202 18.9202 20.1754 20.1754 k =-0.0556 0.0334 0.5835 ( 1694 PWs) bands (ev): 3.3778 3.3778 6.2733 6.2733 8.1540 8.1540 8.4757 8.4757 10.1743 10.1743 10.2353 10.2353 10.5246 10.5246 10.7499 10.7499 10.8022 10.8022 10.9493 10.9493 11.3277 11.3277 11.6194 11.6194 12.2481 12.2481 12.3114 12.3114 12.4440 12.4440 12.6973 12.6973 12.7614 12.7614 12.9722 12.9722 13.3122 13.3122 13.6954 13.6954 13.8280 13.8280 13.9170 13.9170 14.8251 14.8251 15.3854 15.3854 15.4633 15.4633 16.7028 16.7028 18.8444 18.8444 20.1802 20.1802 k =-0.0667 0.0401 0.5835 ( 1696 PWs) bands (ev): 3.3892 3.3892 6.2850 6.2850 8.1347 8.1347 8.4827 8.4827 10.1155 10.1155 10.2344 10.2344 10.5274 10.5274 10.7842 10.7842 10.8114 10.8114 10.9467 10.9467 11.3303 11.3303 11.6234 11.6234 12.2504 12.2504 12.3141 12.3141 12.4423 12.4423 12.6846 12.6846 12.7547 12.7547 12.9933 12.9933 13.3089 13.3089 13.6865 13.6865 13.8266 13.8266 13.9083 13.9083 14.8317 14.8317 15.3629 15.3629 15.3953 15.3953 16.7902 16.7902 18.7540 18.7540 20.1897 20.1897 k =-0.0778 0.0468 0.5835 ( 1708 PWs) bands (ev): 3.4025 3.4025 6.2988 6.2988 8.1123 8.1123 8.4906 8.4906 10.0534 10.0534 10.2332 10.2332 10.5302 10.5302 10.8068 10.8068 10.8331 10.8331 10.9435 10.9435 11.3336 11.3336 11.6274 11.6274 12.2526 12.2526 12.3166 12.3166 12.4412 12.4412 12.6706 12.6706 12.7494 12.7494 13.0151 13.0151 13.3052 13.3052 13.6761 13.6761 13.8247 13.8247 13.8980 13.8980 14.8392 14.8392 15.3211 15.3211 15.3413 15.3413 16.8830 16.8830 18.6508 18.6508 20.2049 20.2049 k =-0.0889 0.0535 0.5835 ( 1710 PWs) bands (ev): 3.4179 3.4179 6.3147 6.3147 8.0872 8.0872 8.5001 8.5001 9.9885 9.9885 10.2320 10.2320 10.5336 10.5336 10.8184 10.8184 10.8667 10.8667 10.9397 10.9397 11.3375 11.3375 11.6313 11.6313 12.2542 12.2542 12.3186 12.3186 12.4411 12.4411 12.6558 12.6558 12.7454 12.7454 13.0375 13.0375 13.3009 13.3009 13.6642 13.6642 13.8225 13.8225 13.8863 13.8863 14.8477 14.8477 15.2509 15.2509 15.3122 15.3122 16.9801 16.9801 18.5367 18.5367 20.2262 20.2262 k =-0.1000 0.0602 0.5835 ( 1706 PWs) bands (ev): 3.4353 3.4353 6.3325 6.3325 8.0595 8.0595 8.5108 8.5108 9.9210 9.9210 10.2307 10.2307 10.5375 10.5375 10.8287 10.8287 10.9020 10.9020 10.9352 10.9352 11.3421 11.3421 11.6347 11.6347 12.2548 12.2548 12.3204 12.3204 12.4426 12.4426 12.6408 12.6408 12.7427 12.7427 13.0604 13.0604 13.2964 13.2964 13.6509 13.6509 13.8198 13.8198 13.8735 13.8735 14.8571 14.8571 15.1795 15.1795 15.2819 15.2819 17.0807 17.0807 18.4134 18.4134 20.2537 20.2537 k =-0.1111 0.0669 0.5835 ( 1706 PWs) bands (ev): 3.4546 3.4546 6.3524 6.3524 8.0295 8.0295 8.5226 8.5226 9.8510 9.8510 10.2292 10.2292 10.5419 10.5419 10.8394 10.8394 10.9279 10.9279 10.9392 10.9392 11.3475 11.3475 11.6374 11.6374 12.2537 12.2537 12.3217 12.3217 12.4451 12.4451 12.6259 12.6259 12.7414 12.7414 13.0835 13.0835 13.2914 13.2914 13.6361 13.6361 13.8162 13.8162 13.8597 13.8597 14.8669 14.8669 15.1087 15.1087 15.2499 15.2499 17.1839 17.1839 18.2830 18.2830 20.2874 20.2874 k =-0.1222 0.0735 0.5835 ( 1702 PWs) bands (ev): 3.4758 3.4758 6.3741 6.3741 7.9975 7.9975 8.5357 8.5357 9.7789 9.7789 10.2277 10.2277 10.5468 10.5468 10.8508 10.8508 10.9229 10.9229 10.9731 10.9731 11.3538 11.3538 11.6390 11.6390 12.2502 12.2502 12.3232 12.3232 12.4488 12.4488 12.6111 12.6111 12.7420 12.7420 13.1067 13.1067 13.2863 13.2863 13.6200 13.6200 13.8110 13.8110 13.8458 13.8458 14.8766 14.8766 15.0397 15.0397 15.2163 15.2163 17.2894 17.2894 18.1470 18.1470 20.3272 20.3272 k =-0.1333 0.0802 0.5835 ( 1706 PWs) bands (ev): 3.4990 3.4990 6.3977 6.3977 7.9637 7.9637 8.5499 8.5499 9.7044 9.7044 10.2260 10.2260 10.5521 10.5521 10.8623 10.8623 10.9164 10.9164 11.0072 11.0072 11.3608 11.3608 11.6394 11.6394 12.2440 12.2440 12.3250 12.3250 12.4531 12.4531 12.5967 12.5967 12.7449 12.7449 13.1297 13.1297 13.2810 13.2810 13.6025 13.6025 13.8026 13.8026 13.8333 13.8333 14.8834 14.8834 14.9753 14.9753 15.1815 15.1815 17.3966 17.3966 18.0070 18.0070 20.3729 20.3729 k =-0.1444 0.0869 0.5835 ( 1698 PWs) bands (ev): 3.5240 3.5240 6.4232 6.4232 7.9284 7.9284 8.5654 8.5654 9.6282 9.6282 10.2244 10.2244 10.5580 10.5580 10.8729 10.8729 10.9109 10.9109 11.0410 11.0410 11.3687 11.3687 11.6385 11.6385 12.2351 12.2351 12.3275 12.3275 12.4575 12.4575 12.5828 12.5828 12.7505 12.7505 13.1526 13.1526 13.2759 13.2759 13.5837 13.5837 13.7894 13.7894 13.8241 13.8241 14.8706 14.8706 14.9323 14.9323 15.1460 15.1460 17.5050 17.5050 17.8648 17.8648 20.4243 20.4243 k =-0.1556 0.0936 0.5835 ( 1702 PWs) bands (ev): 3.5508 3.5508 6.4504 6.4504 7.8916 7.8916 8.5819 8.5819 9.5499 9.5499 10.2226 10.2226 10.5643 10.5643 10.8778 10.8778 10.9103 10.9103 11.0740 11.0740 11.3775 11.3775 11.6361 11.6361 12.2238 12.2238 12.3302 12.3302 12.4615 12.4615 12.5691 12.5691 12.7591 12.7591 13.1740 13.1740 13.2716 13.2716 13.5636 13.5636 13.7719 13.7719 13.8178 13.8178 14.8191 14.8191 14.9296 14.9296 15.1099 15.1099 17.6100 17.6100 17.7256 17.7256 20.4813 20.4813 k =-0.1667 0.1003 0.5835 ( 1698 PWs) bands (ev): 3.5794 3.5794 6.4793 6.4793 7.8541 7.8541 8.5997 8.5997 9.4699 9.4699 10.2209 10.2209 10.5711 10.5711 10.8733 10.8733 10.9188 10.9188 11.1067 11.1067 11.3874 11.3874 11.6322 11.6322 12.2104 12.2104 12.3328 12.3328 12.4651 12.4651 12.5558 12.5558 12.7711 12.7711 13.1931 13.1931 13.2693 13.2693 13.5424 13.5424 13.7517 13.7517 13.8128 13.8128 14.7574 14.7574 14.9388 14.9388 15.0739 15.0739 17.5662 17.5662 17.7358 17.7358 20.5437 20.5437 k =-0.1778 0.1070 0.5835 ( 1706 PWs) bands (ev): 3.6097 3.6097 6.5098 6.5098 7.8157 7.8157 8.6184 8.6184 9.3883 9.3883 10.2187 10.2187 10.5782 10.5782 10.8628 10.8628 10.9327 10.9327 11.1389 11.1389 11.3979 11.3979 11.6268 11.6268 12.1952 12.1952 12.3347 12.3347 12.4681 12.4681 12.5427 12.5427 12.7864 12.7864 13.2074 13.2074 13.2710 13.2710 13.5200 13.5200 13.7298 13.7298 13.8083 13.8083 14.6948 14.6948 14.9492 14.9492 15.0390 15.0390 17.4239 17.4239 17.8457 17.8457 20.6114 20.6114 k =-0.1889 0.1137 0.5835 ( 1706 PWs) bands (ev): 3.6417 3.6417 6.5417 6.5417 7.7768 7.7768 8.6383 8.6383 9.3053 9.3053 10.2168 10.2168 10.5858 10.5858 10.8495 10.8495 10.9487 10.9487 11.1706 11.1706 11.4093 11.4093 11.6199 11.6199 12.1788 12.1788 12.3359 12.3359 12.4710 12.4710 12.5298 12.5298 12.8050 12.8050 13.2143 13.2143 13.2795 13.2795 13.4965 13.4965 13.7070 13.7070 13.8041 13.8041 14.6334 14.6334 14.9558 14.9558 15.0086 15.0086 17.2800 17.2800 17.9590 17.9590 20.6842 20.6842 k =-0.2000 0.1203 0.5835 ( 1702 PWs) bands (ev): 3.6752 3.6752 6.5751 6.5751 7.7378 7.7378 8.6593 8.6593 9.2211 9.2211 10.2150 10.2150 10.5938 10.5938 10.8342 10.8342 10.9658 10.9658 11.2020 11.2020 11.4217 11.4217 11.6116 11.6116 12.1615 12.1615 12.3358 12.3358 12.4741 12.4741 12.5170 12.5170 12.8268 12.8268 13.2145 13.2145 13.2938 13.2938 13.4722 13.4722 13.6839 13.6839 13.7998 13.7998 14.5735 14.5735 14.9448 14.9448 14.9962 14.9962 17.1372 17.1372 18.0735 18.0735 20.7618 20.7618 k =-0.2111 0.1270 0.5835 ( 1700 PWs) bands (ev): 3.7103 3.7103 6.6098 6.6098 7.6986 7.6986 8.6814 8.6814 9.1359 9.1359 10.2132 10.2132 10.6021 10.6021 10.8173 10.8173 10.9836 10.9836 11.2330 11.2330 11.4347 11.4347 11.6020 11.6020 12.1436 12.1436 12.3341 12.3341 12.4777 12.4777 12.5042 12.5042 12.8510 12.8510 13.2107 13.2107 13.3106 13.3106 13.4469 13.4469 13.6609 13.6609 13.7955 13.7955 14.5151 14.5151 14.9155 14.9155 15.0021 15.0021 16.9965 16.9965 18.1888 18.1888 20.7743 20.7743 k =-0.2222 0.1337 0.5835 ( 1704 PWs) bands (ev): 3.7468 3.7468 6.6457 6.6457 7.6596 7.6596 8.7044 8.7044 9.0499 9.0499 10.2113 10.2113 10.6106 10.6106 10.7988 10.7988 11.0017 11.0017 11.2637 11.2637 11.4485 11.4485 11.5914 11.5914 12.1249 12.1249 12.3305 12.3305 12.4818 12.4818 12.4913 12.4913 12.8777 12.8777 13.2049 13.2049 13.3270 13.3270 13.4208 13.4208 13.6390 13.6390 13.7911 13.7911 14.4584 14.4584 14.8816 14.8816 15.0122 15.0122 16.8585 16.8585 18.3046 18.3046 20.7549 20.7549 k =-0.2333 0.1404 0.5835 ( 1704 PWs) bands (ev): 3.7847 3.7847 6.6826 6.6826 7.6211 7.6211 8.7283 8.7283 8.9632 8.9632 10.2095 10.2095 10.6193 10.6193 10.7789 10.7789 11.0200 11.0200 11.2941 11.2941 11.4629 11.4629 11.5801 11.5801 12.1059 12.1059 12.3254 12.3254 12.4777 12.4777 12.4877 12.4877 12.9065 12.9065 13.1981 13.1981 13.3411 13.3411 13.3942 13.3942 13.6196 13.6196 13.7866 13.7866 14.4035 14.4035 14.8470 14.8470 15.0225 15.0225 16.7240 16.7240 18.4206 18.4206 20.7354 20.7354 k =-0.2444 0.1471 0.5835 ( 1708 PWs) bands (ev): 3.8239 3.8239 6.7203 6.7203 7.5832 7.5832 8.7531 8.7531 8.8762 8.8762 10.2077 10.2077 10.6281 10.6281 10.7575 10.7575 11.0380 11.0380 11.3242 11.3242 11.4779 11.4779 11.5684 11.5684 12.0867 12.0867 12.3186 12.3186 12.4647 12.4647 12.4936 12.4936 12.9369 12.9369 13.1907 13.1907 13.3508 13.3508 13.3671 13.3671 13.6041 13.6041 13.7819 13.7819 14.3503 14.3503 14.8124 14.8124 15.0318 15.0318 16.5935 16.5935 18.5369 18.5369 20.7162 20.7162 k =-0.2556 0.1538 0.5835 ( 1708 PWs) bands (ev): 3.8642 3.8642 6.7587 6.7587 7.5462 7.5462 8.7783 8.7783 8.7895 8.7895 10.2059 10.2059 10.6365 10.6365 10.7351 10.7351 11.0555 11.0555 11.3539 11.3539 11.4934 11.4934 11.5568 11.5568 12.0677 12.0677 12.3103 12.3103 12.4517 12.4517 12.5004 12.5004 12.9688 12.9688 13.1830 13.1830 13.3396 13.3396 13.3545 13.3545 13.5947 13.5947 13.7771 13.7771 14.2990 14.2990 14.7782 14.7782 15.0392 15.0392 16.4677 16.4677 18.6530 18.6530 20.6971 20.6971 k =-0.2667 0.1605 0.5835 ( 1706 PWs) bands (ev): 3.9056 3.9056 6.7975 6.7975 7.5103 7.5103 8.7017 8.7017 8.8056 8.8056 10.2042 10.2042 10.6441 10.6441 10.7121 10.7121 11.0720 11.0720 11.3833 11.3833 11.5093 11.5093 11.5462 11.5462 12.0488 12.0488 12.3008 12.3008 12.4387 12.4387 12.5078 12.5078 13.0019 13.0019 13.1748 13.1748 13.3124 13.3124 13.3504 13.3504 13.5928 13.5928 13.7723 13.7723 14.2497 14.2497 14.7445 14.7445 15.0442 15.0442 16.3473 16.3473 18.7689 18.7689 20.6784 20.6784 k =-0.2778 0.1671 0.5835 ( 1706 PWs) bands (ev): 3.9478 3.9478 6.8365 6.8365 7.4756 7.4756 8.6150 8.6150 8.8328 8.8328 10.2026 10.2026 10.6490 10.6490 10.6905 10.6905 11.0871 11.0871 11.4119 11.4119 11.5251 11.5251 11.5375 11.5375 12.0303 12.0303 12.2900 12.2900 12.4257 12.4257 12.5156 12.5156 13.0357 13.0357 13.1661 13.1661 13.2860 13.2860 13.3386 13.3386 13.5984 13.5984 13.7674 13.7674 14.2021 14.2021 14.7113 14.7113 15.0457 15.0457 16.2334 16.2334 18.8844 18.8844 20.6602 20.6602 k =-0.2889 0.1738 0.5835 ( 1706 PWs) bands (ev): 3.9909 3.9909 6.8753 6.8753 7.4427 7.4427 8.5288 8.5288 8.8608 8.8608 10.2010 10.2010 10.6429 10.6429 10.6784 10.6784 11.1002 11.1002 11.4396 11.4396 11.5294 11.5294 11.5433 11.5433 12.0122 12.0122 12.2781 12.2781 12.4131 12.4131 12.5236 12.5236 13.0698 13.0698 13.1565 13.1565 13.2611 13.2611 13.3203 13.3203 13.6103 13.6103 13.7624 13.7624 14.1563 14.1563 14.6785 14.6785 15.0430 15.0430 16.1267 16.1267 18.9991 18.9991 20.6424 20.6424 k =-0.3000 0.1805 0.5835 ( 1706 PWs) bands (ev): 4.0345 4.0345 6.9135 6.9135 7.4117 7.4117 8.4435 8.4435 8.8894 8.8894 10.1995 10.1995 10.6215 10.6215 10.6798 10.6798 11.1108 11.1108 11.4651 11.4651 11.5279 11.5279 11.5596 11.5596 11.9947 11.9947 12.2650 12.2650 12.4008 12.4008 12.5316 12.5316 13.1024 13.1024 13.1457 13.1457 13.2397 13.2397 13.2974 13.2974 13.6269 13.6269 13.7575 13.7575 14.1125 14.1125 14.6463 14.6463 15.0350 15.0350 16.0286 16.0286 19.1129 19.1129 20.6252 20.6252 k =-0.3111 0.1872 0.5835 ( 1704 PWs) bands (ev): 4.0784 4.0784 6.9506 6.9506 7.3833 7.3833 8.3594 8.3594 8.9185 8.9185 10.1980 10.1980 10.5945 10.5945 10.6852 10.6852 11.1186 11.1186 11.4859 11.4859 11.5339 11.5339 11.5764 11.5764 11.9778 11.9778 12.2508 12.2508 12.3891 12.3891 12.5396 12.5396 13.1229 13.1229 13.1404 13.1404 13.2258 13.2258 13.2719 13.2719 13.6466 13.6466 13.7527 13.7527 14.0707 14.0707 14.6146 14.6146 15.0204 15.0204 15.9400 15.9400 19.2254 19.2254 20.6086 20.6086 k =-0.3222 0.1939 0.5835 ( 1708 PWs) bands (ev): 4.1226 4.1226 6.9858 6.9858 7.3579 7.3579 8.2769 8.2769 8.9481 8.9481 10.1967 10.1967 10.5654 10.5654 10.6906 10.6906 11.1233 11.1233 11.4999 11.4999 11.5498 11.5498 11.5933 11.5933 11.9618 11.9618 12.2355 12.2355 12.3778 12.3778 12.5473 12.5473 13.1091 13.1091 13.1543 13.1543 13.2251 13.2251 13.2475 13.2475 13.6682 13.6682 13.7482 13.7482 14.0308 14.0308 14.5833 14.5833 14.9982 14.9982 15.8621 15.8621 19.3364 19.3364 20.5927 20.5927 k =-0.3333 0.2006 0.5835 ( 1710 PWs) bands (ev): 4.1667 4.1667 7.0180 7.0180 7.3366 7.3366 8.1961 8.1961 8.9780 8.9780 10.1953 10.1953 10.5355 10.5355 10.6955 10.6955 11.1251 11.1251 11.5109 11.5109 11.5724 11.5724 11.6101 11.6101 11.9464 11.9464 12.2190 12.2190 12.3672 12.3672 12.5547 12.5547 13.0873 13.0873 13.1572 13.1572 13.2113 13.2113 13.2557 13.2557 13.6903 13.6903 13.7446 13.7446 13.9930 13.9930 14.5524 14.5524 14.9676 14.9676 15.7958 15.7958 19.4456 19.4456 20.5775 20.5775 k =-0.3444 0.2073 0.5835 ( 1706 PWs) bands (ev): 4.2105 4.2105 7.0458 7.0458 7.3207 7.3207 8.1175 8.1175 9.0080 9.0080 10.1941 10.1941 10.5047 10.5047 10.6993 10.6993 11.1240 11.1240 11.5230 11.5230 11.5976 11.5976 11.6269 11.6269 11.9320 11.9320 12.2016 12.2016 12.3574 12.3574 12.5618 12.5618 13.0626 13.0626 13.1532 13.1532 13.1841 13.1841 13.2886 13.2886 13.7100 13.7100 13.7446 13.7446 13.9573 13.9573 14.5219 14.5219 14.9284 14.9284 15.7413 15.7413 19.5524 19.5524 20.5631 20.5631 k =-0.3556 0.2139 0.5835 ( 1710 PWs) bands (ev): 4.2538 4.2538 7.0672 7.0672 7.3118 7.3118 8.0415 8.0415 9.0381 9.0381 10.1929 10.1929 10.4736 10.4736 10.7016 10.7016 11.1209 11.1209 11.5376 11.5376 11.6230 11.6230 11.6436 11.6436 11.9185 11.9185 12.1830 12.1830 12.3483 12.3483 12.5684 12.5684 13.0361 13.0361 13.1446 13.1446 13.1594 13.1594 13.3269 13.3269 13.7193 13.7193 13.7558 13.7558 13.9238 13.9238 14.4916 14.4916 14.8809 14.8809 15.6981 15.6981 19.6565 19.6565 20.5495 20.5495 k =-0.3667 0.2206 0.5835 ( 1710 PWs) bands (ev): 4.2962 4.2962 7.0806 7.0806 7.3114 7.3114 7.9684 7.9684 9.0680 9.0680 10.1918 10.1918 10.4423 10.4423 10.7024 10.7024 11.1164 11.1164 11.5548 11.5548 11.6469 11.6469 11.6613 11.6613 11.9060 11.9060 12.1634 12.1634 12.3399 12.3399 12.5744 12.5744 13.0090 13.0090 13.1228 13.1228 13.1487 13.1487 13.3676 13.3676 13.7186 13.7186 13.7776 13.7776 13.8926 13.8926 14.4617 14.4617 14.8265 14.8265 15.6649 15.6649 19.7574 19.7574 20.5368 20.5368 k =-0.3778 0.2273 0.5835 ( 1706 PWs) bands (ev): 4.3374 4.3374 7.0859 7.0859 7.3195 7.3195 7.8987 7.8987 9.0976 9.0976 10.1908 10.1908 10.4113 10.4113 10.7014 10.7014 11.1114 11.1114 11.5746 11.5746 11.6669 11.6669 11.6817 11.6817 11.8948 11.8948 12.1429 12.1429 12.3324 12.3324 12.5800 12.5800 12.9820 12.9820 13.0963 13.0963 13.1443 13.1443 13.4098 13.4098 13.7149 13.7149 13.8028 13.8028 13.8638 13.8638 14.4320 14.4320 14.7666 14.7666 15.6403 15.6403 19.8545 19.8545 20.5250 20.5250 k =-0.3889 0.2340 0.5835 ( 1714 PWs) bands (ev): 4.3770 4.3770 7.0843 7.0843 7.3345 7.3345 7.8328 7.8328 9.1266 9.1266 10.1898 10.1898 10.3803 10.3803 10.6987 10.6987 11.1064 11.1064 11.5962 11.5962 11.6828 11.6828 11.7046 11.7046 11.8842 11.8842 12.1214 12.1214 12.3254 12.3254 12.5849 12.5849 12.9555 12.9555 13.0703 13.0703 13.1409 13.1409 13.4530 13.4530 13.7103 13.7103 13.8287 13.8287 13.8379 13.8379 14.4024 14.4024 14.7030 14.7030 15.6224 15.6224 19.9472 19.9472 20.5141 20.5141 k =-0.4000 0.2407 0.5835 ( 1710 PWs) bands (ev): 4.4147 4.4147 7.0782 7.0782 7.3538 7.3538 7.7712 7.7712 9.1548 9.1548 10.1888 10.1888 10.3507 10.3507 10.6945 10.6945 11.1020 11.1020 11.6195 11.6195 11.6969 11.6969 11.7277 11.7277 11.8748 11.8748 12.0993 12.0993 12.3193 12.3193 12.5894 12.5894 12.9299 12.9299 13.0458 13.0458 13.1383 13.1383 13.4971 13.4971 13.7053 13.7053 13.8142 13.8142 13.8560 13.8560 14.3730 14.3730 14.6373 14.6373 15.6097 15.6097 20.0348 20.0348 20.5042 20.5042 k =-0.4111 0.2474 0.5835 ( 1712 PWs) bands (ev): 4.4500 4.4500 7.0697 7.0697 7.3750 7.3750 7.7143 7.7143 9.1817 9.1817 10.1878 10.1878 10.3222 10.3222 10.6890 10.6890 11.0984 11.0984 11.6439 11.6439 11.7094 11.7094 11.7498 11.7498 11.8665 11.8665 12.0763 12.0763 12.3138 12.3138 12.5932 12.5932 12.9056 12.9056 13.0230 13.0230 13.1362 13.1362 13.5416 13.5416 13.7000 13.7000 13.7942 13.7942 13.8830 13.8830 14.3436 14.3436 14.5710 14.5710 15.6009 15.6009 20.1167 20.1167 20.4952 20.4952 k =-0.4222 0.2541 0.5835 ( 1712 PWs) bands (ev): 4.4826 4.4826 7.0605 7.0605 7.3962 7.3962 7.6627 7.6627 9.2072 9.2072 10.1869 10.1869 10.2956 10.2956 10.6827 10.6827 11.0957 11.0957 11.6691 11.6691 11.7206 11.7206 11.7705 11.7705 11.8593 11.8593 12.0529 12.0529 12.3090 12.3090 12.5963 12.5963 12.8829 12.8829 13.0021 13.0021 13.1345 13.1345 13.5864 13.5864 13.6945 13.6945 13.7780 13.7780 13.9101 13.9101 14.3140 14.3140 14.5054 14.5054 15.5950 15.5950 20.1918 20.1918 20.4873 20.4873 k =-0.4333 0.2607 0.5835 ( 1712 PWs) bands (ev): 4.5119 4.5119 7.0513 7.0513 7.4163 7.4163 7.6168 7.6168 9.2307 9.2307 10.1857 10.1857 10.2712 10.2712 10.6758 10.6758 11.0938 11.0938 11.6946 11.6946 11.7307 11.7307 11.7893 11.7893 11.8534 11.8534 12.0289 12.0289 12.3048 12.3048 12.5989 12.5989 12.8623 12.8623 12.9837 12.9837 13.1332 13.1332 13.6295 13.6295 13.6889 13.6889 13.7667 13.7667 13.9371 13.9371 14.2840 14.2840 14.4416 14.4416 15.5911 15.5911 20.2595 20.2595 20.4804 20.4804 k =-0.4444 0.2674 0.5835 ( 1712 PWs) bands (ev): 4.5376 4.5376 7.0429 7.0429 7.4343 7.4343 7.5772 7.5772 9.2517 9.2517 10.1842 10.1842 10.2497 10.2497 10.6690 10.6690 11.0927 11.0927 11.7195 11.7195 11.7400 11.7400 11.8059 11.8059 11.8489 11.8489 12.0046 12.0046 12.3013 12.3013 12.6010 12.6010 12.8440 12.8440 12.9677 12.9677 13.1323 13.1323 13.6667 13.6667 13.6845 13.6845 13.7632 13.7632 13.9637 13.9637 14.2532 14.2532 14.3812 14.3812 15.5886 15.5886 20.3188 20.3188 20.4746 20.4746 k =-0.4556 0.2741 0.5835 ( 1712 PWs) bands (ev): 4.5593 4.5593 7.0357 7.0357 7.4493 7.4493 7.5445 7.5445 9.2699 9.2699 10.1823 10.1823 10.2319 10.2319 10.6626 10.6626 11.0921 11.0921 11.7395 11.7395 11.7524 11.7524 11.8196 11.8196 11.8463 11.8463 11.9802 11.9802 12.2984 12.2984 12.6026 12.6026 12.8285 12.8285 12.9544 12.9544 13.1316 13.1316 13.6748 13.6748 13.6972 13.6972 13.7742 13.7742 13.9898 13.9898 14.2208 14.2208 14.3263 14.3263 15.5870 15.5870 20.3687 20.3687 20.4700 20.4700 k =-0.4667 0.2808 0.5835 ( 1712 PWs) bands (ev): 4.5766 4.5766 7.0298 7.0298 7.4606 7.4606 7.5195 7.5195 9.2847 9.2847 10.1796 10.1796 10.2186 10.2186 10.6572 10.6572 11.0919 11.0919 11.7483 11.7483 11.7730 11.7730 11.8298 11.8298 11.8462 11.8462 11.9558 11.9558 12.2961 12.2961 12.6037 12.6037 12.8161 12.8161 12.9439 12.9439 13.1311 13.1311 13.6704 13.6704 13.7067 13.7067 13.8025 13.8025 14.0148 14.0148 14.1863 14.1863 14.2794 14.2794 15.5861 15.5861 20.4083 20.4083 20.4666 20.4666 k =-0.4778 0.2875 0.5835 ( 1712 PWs) bands (ev): 4.5892 4.5892 7.0256 7.0256 7.4670 7.4670 7.5032 7.5032 9.2956 9.2956 10.1764 10.1764 10.2100 10.2100 10.6531 10.6531 11.0919 11.0919 11.7529 11.7529 11.7930 11.7930 11.8369 11.8369 11.8493 11.8493 11.9324 11.9324 12.2944 12.2944 12.6045 12.6045 12.8070 12.8070 12.9363 12.9363 13.1308 13.1308 13.6664 13.6664 13.7087 13.7087 13.8365 13.8365 14.0379 14.0379 14.1504 14.1504 14.2433 14.2433 15.5857 15.5857 20.4365 20.4365 20.4649 20.4649 k =-0.4889 0.2942 0.5835 ( 1712 PWs) bands (ev): 4.5968 4.5968 7.0230 7.0230 7.4681 7.4681 7.4962 7.4962 9.3023 9.3023 10.1735 10.1735 10.2055 10.2055 10.6505 10.6505 11.0919 11.0919 11.7554 11.7554 11.8062 11.8062 11.8437 11.8437 11.8542 11.8542 11.9119 11.9119 12.2935 12.2935 12.6049 12.6049 12.8014 12.8014 12.9318 12.9318 13.1306 13.1306 13.6639 13.6639 13.7088 13.7088 13.8645 13.8645 14.0578 14.0578 14.1183 14.1183 14.2200 14.2200 15.5854 15.5854 20.4512 20.4512 20.4663 20.4663 k =-0.5000 0.3008 0.5835 ( 1708 PWs) bands (ev): 4.5994 4.5994 7.0221 7.0221 7.4675 7.4675 7.4948 7.4948 9.3046 9.3046 10.1724 10.1724 10.2041 10.2041 10.6496 10.6496 11.0920 11.0920 11.7562 11.7562 11.8104 11.8104 11.8472 11.8472 11.8581 11.8581 11.9019 11.9019 12.2931 12.2931 12.6051 12.6051 12.7997 12.7997 12.9304 12.9304 13.1306 13.1306 13.6630 13.6630 13.7087 13.7087 13.8758 13.8758 14.0689 14.0689 14.1020 14.1020 14.2117 14.2117 15.5854 15.5854 20.4543 20.4543 20.4686 20.4686 k =-0.5000 0.3008 0.5835 ( 1708 PWs) bands (ev): 4.5994 4.5994 7.0221 7.0221 7.4675 7.4675 7.4948 7.4948 9.3046 9.3046 10.1724 10.1724 10.2041 10.2041 10.6496 10.6496 11.0920 11.0920 11.7562 11.7562 11.8104 11.8104 11.8472 11.8472 11.8581 11.8581 11.9019 11.9019 12.2931 12.2931 12.6051 12.6051 12.7997 12.7997 12.9304 12.9304 13.1306 13.1306 13.6630 13.6630 13.7087 13.7087 13.8758 13.8758 14.0689 14.0689 14.1020 14.1020 14.2117 14.2117 15.5854 15.5854 20.4543 20.4543 20.4686 20.4686 k =-0.4921 0.2961 0.5743 ( 1712 PWs) bands (ev): 4.5968 4.5968 7.0230 7.0230 7.4685 7.4685 7.4958 7.4958 9.3023 9.3023 10.1737 10.1737 10.2054 10.2054 10.6505 10.6505 11.0919 11.0919 11.7554 11.7554 11.8061 11.8061 11.8440 11.8440 11.8536 11.8536 11.9122 11.9122 12.2935 12.2935 12.6049 12.6049 12.8015 12.8015 12.9318 12.9318 13.1306 13.1306 13.6638 13.6638 13.7089 13.7089 13.8642 13.8642 14.0592 14.0592 14.1163 14.1163 14.2210 14.2210 15.5854 15.5854 20.4515 20.4515 20.4659 20.4659 k =-0.4841 0.2913 0.5650 ( 1712 PWs) bands (ev): 4.5889 4.5889 7.0257 7.0257 7.4714 7.4714 7.4990 7.4990 9.2954 9.2954 10.1769 10.1769 10.2096 10.2096 10.6532 10.6532 11.0918 11.0918 11.7528 11.7528 11.7926 11.7926 11.8372 11.8372 11.8488 11.8488 11.9329 11.9329 12.2945 12.2945 12.6045 12.6045 12.8071 12.8071 12.9364 12.9364 13.1308 13.1308 13.6662 13.6662 13.7090 13.7090 13.8350 13.8350 14.0484 14.0484 14.1326 14.1326 14.2526 14.2526 15.5856 15.5856 20.4429 20.4429 20.4579 20.4579 k =-0.4762 0.2865 0.5557 ( 1712 PWs) bands (ev): 4.5759 4.5759 7.0301 7.0301 7.4759 7.4759 7.5046 7.5046 9.2842 9.2842 10.1812 10.1812 10.2175 10.2175 10.6577 10.6577 11.0917 11.0917 11.7480 11.7480 11.7719 11.7719 11.8302 11.8302 11.8462 11.8462 11.9563 11.9563 12.2963 12.2963 12.6038 12.6038 12.8164 12.8164 12.9441 12.9441 13.1311 13.1311 13.6695 13.6695 13.7073 13.7073 13.7991 13.7991 14.0416 14.0416 14.1380 14.1380 14.3055 14.3055 15.5859 15.5859 20.4282 20.4282 20.4453 20.4453 k =-0.4683 0.2817 0.5465 ( 1712 PWs) bands (ev): 4.5578 4.5578 7.0364 7.0364 7.4816 7.4816 7.5131 7.5131 9.2690 9.2690 10.1854 10.1854 10.2297 10.2297 10.6639 10.6639 11.0914 11.0914 11.7379 11.7379 11.7513 11.7513 11.8206 11.8206 11.8464 11.8464 11.9802 11.9802 12.2990 12.2990 12.6028 12.6028 12.8291 12.8291 12.9547 12.9547 13.1315 13.1315 13.6720 13.6720 13.6977 13.6977 13.7703 13.7703 14.0369 14.0369 14.1360 14.1360 14.3722 14.3722 15.5863 15.5863 20.4069 20.4069 20.4288 20.4288 k =-0.4603 0.2770 0.5372 ( 1712 PWs) bands (ev): 4.5348 4.5348 7.0444 7.0444 7.4881 7.4881 7.5248 7.5248 9.2503 9.2503 10.1895 10.1895 10.2460 10.2460 10.6717 10.6717 11.0912 11.0912 11.7156 11.7156 11.7398 11.7398 11.8078 11.8078 11.8490 11.8490 12.0039 12.0039 12.3028 12.3028 12.6016 12.6016 12.8449 12.8449 12.9681 12.9681 13.1320 13.1320 13.6582 13.6582 13.6860 13.6860 13.7614 13.7614 14.0333 14.0333 14.1298 14.1298 14.4477 14.4477 15.5867 15.5867 20.3792 20.3792 20.4088 20.4088 k =-0.4524 0.2722 0.5280 ( 1714 PWs) bands (ev): 4.5069 4.5069 7.0543 7.0543 7.4952 7.4952 7.5399 7.5399 9.2285 9.2285 10.1933 10.1933 10.2658 10.2658 10.6809 10.6809 11.0909 11.0909 11.6887 11.6887 11.7305 11.7305 11.7922 11.7922 11.8532 11.8532 12.0273 12.0273 12.3077 12.3077 12.6001 12.6001 12.8634 12.8634 12.9839 12.9839 13.1326 13.1326 13.6186 13.6186 13.6879 13.6879 13.7674 13.7674 14.0299 14.0299 14.1209 14.1209 14.5297 14.5297 15.5871 15.5871 20.3453 20.3453 20.3854 20.3854 k =-0.4444 0.2674 0.5187 ( 1716 PWs) bands (ev): 4.4745 4.4745 7.0659 7.0659 7.5031 7.5031 7.5582 7.5582 9.2042 9.2042 10.1973 10.1973 10.2884 10.2884 10.6915 10.6915 11.0907 11.0907 11.6609 11.6609 11.7203 11.7203 11.7740 11.7740 11.8586 11.8586 12.0500 12.0500 12.3137 12.3137 12.5985 12.5985 12.8843 12.8843 13.0021 13.0021 13.1334 13.1334 13.5731 13.5731 13.6918 13.6918 13.7808 13.7808 14.0268 14.0268 14.1098 14.1098 14.6174 14.6174 15.5875 15.5875 20.3056 20.3056 20.3590 20.3590 k =-0.4365 0.2626 0.5094 ( 1712 PWs) bands (ev): 4.4377 4.4377 7.0793 7.0793 7.5119 7.5119 7.5798 7.5798 9.1776 9.1776 10.2016 10.2016 10.3131 10.3131 10.7033 10.7033 11.0905 11.0905 11.6329 11.6329 11.7089 11.7089 11.7539 11.7539 11.8652 11.8652 12.0719 12.0719 12.3211 12.3211 12.5969 12.5969 12.9073 12.9073 13.0224 13.0224 13.1344 13.1344 13.5266 13.5266 13.6958 13.6958 13.7989 13.7989 14.0238 14.0238 14.0971 14.0971 14.7103 14.7103 15.5877 15.5877 20.2604 20.2604 20.3298 20.3298 k =-0.4286 0.2579 0.5002 ( 1710 PWs) bands (ev): 4.3967 4.3967 7.0946 7.0946 7.5217 7.5217 7.6044 7.6044 9.1494 9.1494 10.2061 10.2061 10.3395 10.3395 10.7162 10.7162 11.0903 11.0903 11.6048 11.6048 11.6963 11.6963 11.7320 11.7320 11.8726 11.8726 12.0930 12.0930 12.3296 12.3296 12.5953 12.5953 12.9321 12.9321 13.0444 13.0444 13.1355 13.1355 13.4802 13.4802 13.6997 13.6997 13.8207 13.8207 14.0209 14.0209 14.0829 14.0829 14.8082 14.8082 15.5878 15.5878 20.2102 20.2102 20.2981 20.2981 k =-0.4206 0.2531 0.4909 ( 1706 PWs) bands (ev): 4.3519 4.3519 7.1117 7.1117 7.5326 7.5326 7.6319 7.6319 9.1197 9.1197 10.2111 10.2111 10.3670 10.3670 10.7299 10.7299 11.0902 11.0902 11.5769 11.5769 11.6824 11.6824 11.7086 11.7086 11.8809 11.8809 12.1134 12.1134 12.3393 12.3393 12.5938 12.5938 12.9581 12.9581 13.0679 13.0679 13.1369 13.1369 13.4345 13.4345 13.7035 13.7035 13.8454 13.8454 14.0181 14.0181 14.0678 14.0678 14.9109 14.9109 15.5877 15.5877 20.1552 20.1552 20.2642 20.2642 k =-0.4127 0.2483 0.4816 ( 1706 PWs) bands (ev): 4.3034 4.3034 7.1306 7.1306 7.5445 7.5445 7.6622 7.6622 9.0889 9.0889 10.2166 10.2166 10.3952 10.3952 10.7443 10.7443 11.0903 11.0903 11.5494 11.5494 11.6672 11.6672 11.6841 11.6841 11.8900 11.8900 12.1326 12.1326 12.3499 12.3499 12.5925 12.5925 12.9850 12.9850 13.0925 13.0925 13.1385 13.1385 13.3896 13.3896 13.7074 13.7074 13.8726 13.8726 14.0152 14.0152 14.0522 14.0522 15.0184 15.0184 15.5874 15.5874 20.0959 20.0959 20.2285 20.2285 k =-0.4048 0.2435 0.4724 ( 1706 PWs) bands (ev): 4.2515 4.2515 7.1512 7.1512 7.5577 7.5577 7.6953 7.6953 9.0574 9.0574 10.2228 10.2228 10.4239 10.4239 10.7591 10.7591 11.0903 11.0903 11.5221 11.5221 11.6503 11.6503 11.6590 11.6590 11.9000 11.9000 12.1509 12.1509 12.3614 12.3614 12.5915 12.5915 13.0124 13.0124 13.1180 13.1180 13.1406 13.1406 13.3457 13.3457 13.7114 13.7114 13.9019 13.9019 14.0113 14.0113 14.0377 14.0377 15.1304 15.1304 15.5867 15.5867 20.0325 20.0325 20.1912 20.1912 k =-0.3968 0.2388 0.4631 ( 1706 PWs) bands (ev): 4.1966 4.1966 7.1736 7.1736 7.5722 7.5722 7.7311 7.7311 9.0252 9.0252 10.2292 10.2292 10.4527 10.4527 10.7743 10.7743 11.0906 11.0906 11.4955 11.4955 11.6294 11.6294 11.6363 11.6363 11.9107 11.9107 12.1680 12.1680 12.3738 12.3738 12.5908 12.5908 13.0395 13.0395 13.1427 13.1427 13.1447 13.1447 13.3032 13.3032 13.7153 13.7153 13.9323 13.9323 14.0030 14.0030 14.0289 14.0289 15.2468 15.2468 15.5860 15.5860 19.9654 19.9654 20.1527 20.1527 k =-0.3889 0.2340 0.4539 ( 1708 PWs) bands (ev): 4.1388 4.1388 7.1978 7.1978 7.5879 7.5879 7.7695 7.7695 8.9926 8.9926 10.2361 10.2361 10.4812 10.4812 10.7895 10.7895 11.0911 11.0911 11.4696 11.4696 11.6034 11.6034 11.6170 11.6170 11.9221 11.9221 12.1841 12.1841 12.3866 12.3866 12.5906 12.5906 13.0653 13.0653 13.1465 13.1465 13.1704 13.1704 13.2626 13.2626 13.7194 13.7194 13.9616 13.9616 13.9886 13.9886 14.0298 14.0298 15.3668 15.3668 15.5858 15.5858 19.8951 19.8951 20.1133 20.1133 k =-0.3810 0.2292 0.4446 ( 1706 PWs) bands (ev): 4.0786 4.0786 7.2238 7.2238 7.6049 7.6049 7.8103 7.8103 8.9598 8.9598 10.2435 10.2435 10.5094 10.5094 10.8047 10.8047 11.0918 11.0918 11.4444 11.4444 11.5762 11.5762 11.5977 11.5977 11.9342 11.9342 12.1989 12.1989 12.4000 12.4000 12.5909 12.5909 13.0881 13.0881 13.1498 13.1498 13.1953 13.1953 13.2277 13.2277 13.7235 13.7235 13.9698 13.9698 13.9871 13.9871 14.0421 14.0421 15.4861 15.4861 15.5902 15.5902 19.8217 19.8217 20.0731 20.0731 k =-0.3730 0.2244 0.4353 ( 1706 PWs) bands (ev): 4.0161 4.0161 7.2515 7.2515 7.6232 7.6232 7.8537 7.8537 8.9270 8.9270 10.2514 10.2514 10.5370 10.5370 10.8196 10.8196 11.0927 11.0927 11.4201 11.4201 11.5487 11.5487 11.5778 11.5778 11.9470 11.9470 12.2125 12.2125 12.4138 12.4138 12.5917 12.5917 13.1054 13.1054 13.1449 13.1449 13.2004 13.2004 13.2272 13.2272 13.7277 13.7277 13.9520 13.9520 14.0005 14.0005 14.0687 14.0687 15.5585 15.5585 15.6453 15.6453 19.7456 19.7456 20.0323 20.0323 k =-0.3651 0.2197 0.4261 ( 1706 PWs) bands (ev): 3.9517 3.9517 7.2809 7.2809 7.6429 7.6429 7.8994 7.8994 8.8942 8.8942 10.2598 10.2598 10.5638 10.5638 10.8340 10.8340 11.0938 11.0938 11.3968 11.3968 11.5210 11.5210 11.5571 11.5571 11.9605 11.9605 12.2249 12.2249 12.4278 12.4278 12.5931 12.5931 13.1108 13.1108 13.1250 13.1250 13.2070 13.2070 13.2518 13.2518 13.7319 13.7319 13.9336 13.9336 14.0088 14.0088 14.1049 14.1049 15.5649 15.5649 15.7701 15.7701 19.6672 19.6672 19.9913 19.9913 k =-0.3571 0.2149 0.4168 ( 1698 PWs) bands (ev): 3.8856 3.8856 7.3120 7.3120 7.6640 7.6640 7.9475 7.9475 8.8616 8.8616 10.2689 10.2689 10.5898 10.5898 10.8477 10.8477 11.0954 11.0954 11.3748 11.3748 11.4934 11.4934 11.5360 11.5360 11.9746 11.9746 12.2359 12.2359 12.4418 12.4418 12.5951 12.5951 13.0807 13.0807 13.1268 13.1268 13.2267 13.2267 13.2772 13.2772 13.7362 13.7362 13.9156 13.9156 14.0162 14.0162 14.1459 14.1459 15.5625 15.5625 15.9068 15.9068 19.5867 19.5867 19.9500 19.9500 k =-0.3492 0.2101 0.4075 ( 1698 PWs) bands (ev): 3.8181 3.8181 7.3448 7.3448 7.6864 7.6864 7.9978 7.9978 8.8292 8.8292 10.2783 10.2783 10.6145 10.6145 10.8604 10.8604 11.0971 11.0971 11.3539 11.3539 11.4661 11.4661 11.5142 11.5142 11.9892 11.9892 12.2455 12.2455 12.4556 12.4556 12.5977 12.5977 13.0434 13.0434 13.1309 13.1309 13.2505 13.2505 13.3020 13.3020 13.7404 13.7404 13.8982 13.8982 14.0247 14.0247 14.1899 14.1899 15.5581 15.5581 16.0486 16.0486 19.5044 19.5044 19.9087 19.9087 k =-0.3413 0.2053 0.3983 ( 1694 PWs) bands (ev): 3.7494 3.7494 7.3792 7.3792 7.7102 7.7102 8.0502 8.0502 8.7971 8.7971 10.2885 10.2885 10.6381 10.6381 10.8719 10.8719 11.0988 11.0988 11.3343 11.3343 11.4389 11.4389 11.4924 11.4924 12.0043 12.0043 12.2538 12.2538 12.4691 12.4691 12.6009 12.6009 13.0056 13.0056 13.1342 13.1342 13.2755 13.2755 13.3260 13.3260 13.7447 13.7447 13.8817 13.8817 14.0350 14.0350 14.2362 14.2362 15.5525 15.5525 16.1944 16.1944 19.4206 19.4206 19.8674 19.8674 k =-0.3333 0.2006 0.3890 ( 1698 PWs) bands (ev): 3.6798 3.6798 7.4151 7.4151 7.7352 7.7352 8.1047 8.1047 8.7655 8.7655 10.2990 10.2990 10.6603 10.6603 10.8821 10.8821 11.1007 11.1007 11.3161 11.3161 11.4121 11.4121 11.4698 11.4698 12.0198 12.0198 12.2608 12.2608 12.4820 12.4820 12.6045 12.6045 12.9678 12.9678 13.1368 13.1368 13.3002 13.3002 13.3491 13.3491 13.7488 13.7488 13.8666 13.8666 14.0476 14.0476 14.2847 14.2847 15.5458 15.5458 16.3435 16.3435 19.3356 19.3356 19.8264 19.8264 k =-0.3254 0.1958 0.3798 ( 1690 PWs) bands (ev): 3.6095 3.6095 7.4526 7.4526 7.7618 7.7618 8.1611 8.1611 8.7344 8.7344 10.3101 10.3101 10.6813 10.6813 10.8906 10.8906 11.1031 11.1031 11.2997 11.2997 11.3858 11.3858 11.4470 11.4470 12.0358 12.0358 12.2666 12.2666 12.4945 12.4945 12.6087 12.6087 12.9307 12.9307 13.1389 13.1389 13.3239 13.3239 13.3715 13.3715 13.7528 13.7528 13.8531 13.8531 14.0628 14.0628 14.3352 14.3352 15.5384 15.5384 16.4956 16.4956 19.2496 19.2496 19.7855 19.7855 k =-0.3175 0.1910 0.3705 ( 1700 PWs) bands (ev): 3.5387 3.5387 7.4915 7.4915 7.7896 7.7896 8.2194 8.2194 8.7037 8.7037 10.3213 10.3213 10.7006 10.7006 10.8971 10.8971 11.1054 11.1054 11.2848 11.2848 11.3601 11.3601 11.4238 11.4238 12.0518 12.0518 12.2710 12.2710 12.5059 12.5059 12.6132 12.6132 12.8940 12.8940 13.1408 13.1408 13.3457 13.3457 13.3931 13.3931 13.7565 13.7565 13.8415 13.8415 14.0806 14.0806 14.3875 14.3875 15.5301 15.5301 16.6501 16.6501 19.1628 19.1628 19.7450 19.7450 k =-0.3095 0.1862 0.3612 ( 1700 PWs) bands (ev): 3.4676 3.4676 7.5320 7.5320 7.8187 7.8187 8.2794 8.2794 8.6736 8.6736 10.3333 10.3333 10.7184 10.7184 10.9017 10.9017 11.1080 11.1080 11.2714 11.2714 11.3352 11.3352 11.4006 11.4006 12.0685 12.0685 12.2742 12.2742 12.5165 12.5165 12.6179 12.6179 12.8582 12.8582 13.1426 13.1426 13.3652 13.3652 13.4142 13.4142 13.7601 13.7601 13.8321 13.8321 14.1015 14.1015 14.4415 14.4415 15.5210 15.5210 16.8065 16.8065 19.0756 19.0756 19.7048 19.7048 k =-0.3016 0.1815 0.3520 ( 1704 PWs) bands (ev): 3.3965 3.3965 7.5737 7.5737 7.8492 7.8492 8.3411 8.3411 8.6442 8.6442 10.3459 10.3459 10.7347 10.7347 10.9041 10.9041 11.1106 11.1106 11.2591 11.2591 11.3115 11.3115 11.3774 11.3774 12.0855 12.0855 12.2763 12.2763 12.5258 12.5258 12.6226 12.6226 12.8235 12.8235 13.1442 13.1442 13.3821 13.3821 13.4347 13.4347 13.7635 13.7635 13.8252 13.8252 14.1252 14.1252 14.4974 14.4974 15.5112 15.5112 16.9644 16.9644 18.9880 18.9880 19.6651 19.6651 k =-0.2937 0.1767 0.3427 ( 1704 PWs) bands (ev): 3.3255 3.3255 7.6168 7.6168 7.8810 7.8810 8.4043 8.4043 8.6154 8.6154 10.3589 10.3589 10.7494 10.7494 10.9043 10.9043 11.1134 11.1134 11.2472 11.2472 11.2898 11.2898 11.3541 11.3541 12.1027 12.1027 12.2774 12.2774 12.5339 12.5339 12.6272 12.6272 12.7903 12.7903 13.1456 13.1456 13.3963 13.3963 13.4549 13.4549 13.7666 13.7666 13.8211 13.8211 14.1518 14.1518 14.5549 14.5549 15.5008 15.5008 17.1231 17.1231 18.9003 18.9003 19.6258 19.6258 k =-0.2857 0.1719 0.3334 ( 1704 PWs) bands (ev): 3.2548 3.2548 7.6612 7.6612 7.9141 7.9141 8.4689 8.4689 8.5873 8.5873 10.3724 10.3724 10.7625 10.7625 10.9024 10.9024 11.1163 11.1163 11.2340 11.2340 11.2715 11.2715 11.3310 11.3310 12.1200 12.1200 12.2775 12.2775 12.5406 12.5406 12.6310 12.6310 12.7591 12.7591 13.1470 13.1470 13.4080 13.4080 13.4745 13.4745 13.7694 13.7694 13.8200 13.8200 14.1812 14.1812 14.6141 14.6141 15.4898 15.4898 17.2819 17.2819 18.8128 18.8128 19.5869 19.5869 k =-0.2778 0.1671 0.3242 ( 1708 PWs) bands (ev): 3.1845 3.1845 7.7068 7.7068 7.9485 7.9485 8.5345 8.5345 8.5601 8.5601 10.3863 10.3863 10.7741 10.7741 10.8982 10.8982 11.1193 11.1193 11.2176 11.2176 11.2581 11.2581 11.3078 11.3078 12.1374 12.1374 12.2767 12.2767 12.5455 12.5455 12.6331 12.6331 12.7311 12.7311 13.1481 13.1481 13.4172 13.4172 13.4932 13.4932 13.7722 13.7722 13.8219 13.8219 14.2132 14.2132 14.6748 14.6748 15.4784 15.4784 17.4400 17.4400 18.7255 18.7255 19.5484 19.5484 k =-0.2698 0.1624 0.3149 ( 1708 PWs) bands (ev): 3.1149 3.1149 7.7535 7.7535 7.9842 7.9842 8.5329 8.5329 8.6021 8.6021 10.4006 10.4006 10.7841 10.7841 10.8924 10.8924 11.1222 11.1222 11.1985 11.1985 11.2490 11.2490 11.2851 11.2851 12.1547 12.1547 12.2753 12.2753 12.5485 12.5485 12.6318 12.6318 12.7087 12.7087 13.1492 13.1492 13.4244 13.4244 13.5105 13.5105 13.7749 13.7749 13.8269 13.8269 14.2477 14.2477 14.7373 14.7373 15.4665 15.4665 17.5966 17.5966 18.6387 18.6387 19.5104 19.5104 k =-0.2619 0.1576 0.3057 ( 1708 PWs) bands (ev): 3.0460 3.0460 7.8012 7.8012 8.0211 8.0211 8.5071 8.5071 8.6701 8.6701 10.4154 10.4154 10.7925 10.7925 10.8849 10.8849 11.1249 11.1249 11.1780 11.1780 11.2424 11.2424 11.2626 11.2626 12.1719 12.1719 12.2732 12.2732 12.5487 12.5487 12.6248 12.6248 12.6949 12.6949 13.1501 13.1501 13.4298 13.4298 13.5263 13.5263 13.7778 13.7778 13.8352 13.8352 14.2844 14.2844 14.8012 14.8012 15.4542 15.4542 17.7507 17.7507 18.5525 18.5525 19.4727 19.4727 k =-0.2540 0.1528 0.2964 ( 1706 PWs) bands (ev): 2.9780 2.9780 7.8500 7.8500 8.0593 8.0593 8.4819 8.4819 8.7389 8.7389 10.4305 10.4305 10.7994 10.7994 10.8761 10.8761 11.1267 11.1267 11.1580 11.1580 11.2366 11.2366 11.2410 11.2410 12.1888 12.1888 12.2707 12.2707 12.5452 12.5452 12.6130 12.6130 12.6902 12.6902 13.1509 13.1509 13.4336 13.4336 13.5402 13.5402 13.7807 13.7807 13.8468 13.8468 14.3231 14.3231 14.8667 14.8667 15.4418 15.4418 17.9011 17.9011 18.4672 18.4672 19.4355 19.4355 k =-0.2460 0.1480 0.2871 ( 1714 PWs) bands (ev): 2.9110 2.9110 7.8996 7.8996 8.0987 8.0987 8.4575 8.4575 8.8084 8.8084 10.4459 10.4459 10.8047 10.8047 10.8661 10.8661 11.1234 11.1234 11.1424 11.1424 11.2187 11.2187 11.2320 11.2320 12.2049 12.2049 12.2679 12.2679 12.5367 12.5367 12.6008 12.6008 12.6913 12.6913 13.1514 13.1514 13.4359 13.4359 13.5522 13.5522 13.7836 13.7836 13.8617 13.8617 14.3636 14.3636 14.9336 14.9336 15.4293 15.4293 18.0466 18.0466 18.3829 18.3829 19.3986 19.3986 k =-0.2381 0.1433 0.2779 ( 1706 PWs) bands (ev): 2.8453 2.8453 7.9501 7.9501 8.1394 8.1394 8.4339 8.4339 8.8784 8.8784 10.4617 10.4617 10.8083 10.8083 10.8556 10.8556 11.1082 11.1082 11.1386 11.1386 11.1984 11.1984 11.2268 11.2268 12.2198 12.2198 12.2654 12.2654 12.5236 12.5236 12.5917 12.5917 12.6956 12.6956 13.1518 13.1518 13.4371 13.4371 13.5621 13.5621 13.7864 13.7864 13.8804 13.8804 14.4060 14.4060 15.0019 15.0019 15.4169 15.4169 18.1856 18.1856 18.2999 18.2999 19.3620 19.3620 k =-0.2302 0.1385 0.2686 ( 1706 PWs) bands (ev): 2.7808 2.7808 8.0013 8.0013 8.1812 8.1812 8.4111 8.4111 8.9487 8.9487 10.4777 10.4777 10.8098 10.8098 10.8449 10.8449 11.0883 11.0883 11.1377 11.1377 11.1802 11.1802 11.2210 11.2210 12.2323 12.2323 12.2640 12.2640 12.5077 12.5077 12.5854 12.5854 12.7014 12.7014 13.1520 13.1520 13.4372 13.4372 13.5698 13.5698 13.7889 13.7889 13.9025 13.9025 14.4496 14.4496 15.0715 15.0715 15.4046 15.4046 18.2170 18.2170 18.3181 18.3181 19.3257 19.3257 k =-0.2222 0.1337 0.2593 ( 1706 PWs) bands (ev): 2.7176 2.7176 8.0532 8.0532 8.2241 8.2241 8.3891 8.3891 9.0190 9.0190 10.4940 10.4940 10.8080 10.8080 10.8354 10.8354 11.0676 11.0676 11.1330 11.1330 11.1667 11.1667 11.2146 11.2146 12.2400 12.2400 12.2658 12.2658 12.4918 12.4918 12.5806 12.5806 12.7081 12.7081 13.1518 13.1518 13.4364 13.4364 13.5754 13.5754 13.7912 13.7912 13.9279 13.9279 14.4946 14.4946 15.1424 15.1424 15.3927 15.3927 18.1367 18.1367 18.4401 18.4401 19.2896 19.2896 k =-0.2143 0.1289 0.2501 ( 1704 PWs) bands (ev): 2.6559 2.6559 8.1056 8.1056 8.2682 8.2682 8.3679 8.3679 9.0891 9.0891 10.5105 10.5105 10.8012 10.8012 10.8290 10.8290 11.0469 11.0469 11.1209 11.1209 11.1605 11.1605 11.2082 11.2082 12.2414 12.2414 12.2716 12.2716 12.4779 12.4779 12.5767 12.5767 12.7154 12.7154 13.1514 13.1514 13.4349 13.4349 13.5789 13.5789 13.7932 13.7932 13.9564 13.9564 14.5406 14.5406 15.2144 15.2144 15.3813 15.3813 18.0577 18.0577 18.5516 18.5516 19.2536 19.2536 k =-0.2063 0.1242 0.2408 ( 1704 PWs) bands (ev): 2.5958 2.5958 8.1585 8.1585 8.3133 8.3133 8.3477 8.3477 9.1588 9.1588 10.5270 10.5270 10.7897 10.7897 10.8254 10.8254 11.0263 11.0263 11.1042 11.1042 11.1576 11.1576 11.2022 11.2022 12.2391 12.2391 12.2781 12.2781 12.4673 12.4673 12.5731 12.5731 12.7231 12.7231 13.1508 13.1508 13.4327 13.4327 13.5805 13.5805 13.7948 13.7948 13.9876 13.9876 14.5877 14.5877 15.2872 15.2872 15.3707 15.3707 17.9804 17.9804 18.6508 18.6508 19.2177 19.2177 k =-0.1984 0.1194 0.2316 ( 1706 PWs) bands (ev): 2.5373 2.5373 8.2117 8.2117 8.3282 8.3282 8.3595 8.3595 9.2278 9.2278 10.5436 10.5436 10.7751 10.7751 10.8229 10.8229 11.0060 11.0060 11.0864 11.0864 11.1535 11.1535 11.1981 11.1981 12.2353 12.2353 12.2826 12.2826 12.4614 12.4614 12.5698 12.5698 12.7310 12.7310 13.1497 13.1497 13.4299 13.4299 13.5803 13.5803 13.7962 13.7962 14.0212 14.0212 14.6356 14.6356 15.3532 15.3532 15.3687 15.3687 17.9049 17.9049 18.7364 18.7364 19.1819 19.1819 k =-0.1905 0.1146 0.2223 ( 1706 PWs) bands (ev): 2.4806 2.4806 8.2650 8.2650 8.3099 8.3099 8.4068 8.4068 9.2957 9.2957 10.5603 10.5603 10.7589 10.7589 10.8204 10.8204 10.9859 10.9859 11.0683 11.0683 11.1461 11.1461 11.1971 11.1971 12.2306 12.2306 12.2841 12.2841 12.4605 12.4605 12.5669 12.5669 12.7390 12.7390 13.1481 13.1481 13.4265 13.4265 13.5784 13.5784 13.7973 13.7973 14.0570 14.0570 14.6842 14.6842 15.3500 15.3500 15.4379 15.4379 17.8313 17.8313 18.8073 18.8073 19.1460 19.1460 k =-0.1825 0.1098 0.2130 ( 1708 PWs) bands (ev): 2.4256 2.4256 8.2905 8.2905 8.3203 8.3203 8.4550 8.4550 9.3624 9.3624 10.5770 10.5770 10.7411 10.7411 10.8177 10.8177 10.9662 10.9662 11.0504 11.0504 11.1352 11.1352 11.1989 11.1989 12.2252 12.2252 12.2827 12.2827 12.4642 12.4642 12.5645 12.5645 12.7471 12.7471 13.1461 13.1461 13.4228 13.4228 13.5748 13.5748 13.7980 13.7980 14.0945 14.0945 14.7333 14.7333 15.3423 15.3423 15.5134 15.5134 17.7598 17.7598 18.8631 18.8631 19.1100 19.1100 k =-0.1746 0.1051 0.2038 ( 1706 PWs) bands (ev): 2.3726 2.3726 8.2740 8.2740 8.3736 8.3736 8.5042 8.5042 9.4274 9.4274 10.5936 10.5936 10.7219 10.7219 10.8144 10.8144 10.9471 10.9471 11.0329 11.0329 11.1219 11.1219 11.2027 11.2027 12.2190 12.2190 12.2796 12.2796 12.4720 12.4720 12.5629 12.5629 12.7551 12.7551 13.1436 13.1436 13.4186 13.4186 13.5699 13.5699 13.7986 13.7986 14.1336 14.1336 14.7830 14.7830 15.3357 15.3357 15.5899 15.5899 17.6904 17.6904 18.9035 18.9035 19.0739 19.0739 k =-0.1667 0.1003 0.1945 ( 1702 PWs) bands (ev): 2.3215 2.3215 8.2579 8.2579 8.4273 8.4273 8.5542 8.5542 9.4904 9.4904 10.6100 10.6100 10.7010 10.7010 10.8109 10.8109 10.9286 10.9286 11.0161 11.0161 11.1069 11.1069 11.2076 11.2076 12.2118 12.2118 12.2759 12.2759 12.4824 12.4824 12.5623 12.5623 12.7634 12.7634 13.1406 13.1406 13.4142 13.4142 13.5637 13.5637 13.7989 13.7989 14.1736 14.1736 14.8329 14.8329 15.3306 15.3306 15.6669 15.6669 17.6234 17.6234 18.9290 18.9290 19.0376 19.0376 k =-0.1587 0.0955 0.1852 ( 1698 PWs) bands (ev): 2.2724 2.2724 8.2425 8.2425 8.4811 8.4811 8.6052 8.6052 9.5509 9.5509 10.6261 10.6261 10.6786 10.6786 10.8069 10.8069 10.9109 10.9109 10.9998 10.9998 11.0911 11.0911 11.2133 11.2133 12.2038 12.2038 12.2723 12.2723 12.4941 12.4941 12.5631 12.5631 12.7712 12.7712 13.1372 13.1372 13.4094 13.4094 13.5564 13.5564 13.7989 13.7989 14.2143 14.2143 14.8830 14.8830 15.3272 15.3272 15.7444 15.7444 17.5587 17.5587 18.9404 18.9404 19.0011 19.0011 k =-0.1508 0.0907 0.1760 ( 1698 PWs) bands (ev): 2.2253 2.2253 8.2279 8.2279 8.5346 8.5346 8.6570 8.6570 9.6085 9.6085 10.6402 10.6402 10.6557 10.6557 10.8027 10.8027 10.8943 10.8943 10.9841 10.9841 11.0748 11.0748 11.2193 11.2193 12.1950 12.1950 12.2693 12.2693 12.5060 12.5060 12.5658 12.5658 12.7789 12.7789 13.1331 13.1331 13.4044 13.4044 13.5481 13.5481 13.7987 13.7987 14.2554 14.2554 14.9331 14.9331 15.3257 15.3257 15.8221 15.8221 17.4966 17.4966 18.9389 18.9389 18.9643 18.9643 k =-0.1429 0.0860 0.1667 ( 1690 PWs) bands (ev): 2.1804 2.1804 8.2141 8.2141 8.5878 8.5878 8.7096 8.7096 9.6627 9.6627 10.6253 10.6253 10.6593 10.6593 10.7983 10.7983 10.8789 10.8789 10.9692 10.9692 11.0586 11.0586 11.2257 11.2257 12.1857 12.1857 12.2673 12.2673 12.5169 12.5169 12.5714 12.5714 12.7865 12.7865 13.1284 13.1284 13.3992 13.3992 13.5391 13.5391 13.7985 13.7985 14.2964 14.2964 14.9831 14.9831 15.3264 15.3264 15.8998 15.8998 17.4371 17.4371 18.9247 18.9247 18.9285 18.9285 k =-0.1349 0.0812 0.1575 ( 1686 PWs) bands (ev): 2.1377 2.1377 8.2010 8.2010 8.6406 8.6406 8.7629 8.7629 9.7131 9.7131 10.5966 10.5966 10.6739 10.6739 10.7938 10.7938 10.8653 10.8653 10.9549 10.9549 11.0429 11.0429 11.2322 11.2322 12.1761 12.1761 12.2661 12.2661 12.5256 12.5256 12.5803 12.5803 12.7938 12.7938 13.1232 13.1232 13.3937 13.3937 13.5295 13.5295 13.7979 13.7979 14.3370 14.3370 15.0327 15.0327 15.3294 15.3294 15.9774 15.9774 17.3802 17.3802 18.8891 18.8891 18.9038 18.9038 k =-0.1270 0.0764 0.1482 ( 1680 PWs) bands (ev): 2.0972 2.0972 8.1888 8.1888 8.6927 8.6927 8.8169 8.8169 9.7592 9.7592 10.5651 10.5651 10.6882 10.6882 10.7892 10.7892 10.8538 10.8538 10.9414 10.9414 11.0278 11.0278 11.2387 11.2387 12.1666 12.1666 12.2655 12.2655 12.5320 12.5320 12.5926 12.5926 12.8009 12.8009 13.1172 13.1172 13.3881 13.3881 13.5197 13.5197 13.7972 13.7972 14.3767 14.3767 15.0816 15.0816 15.3351 15.3351 16.0545 16.0545 17.3262 17.3262 18.8512 18.8512 18.8730 18.8730 k =-0.1190 0.0716 0.1389 ( 1680 PWs) bands (ev): 2.0589 2.0589 8.1773 8.1773 8.7441 8.7441 8.8715 8.8715 9.8004 9.8004 10.5309 10.5309 10.7019 10.7019 10.7848 10.7848 10.8444 10.8444 10.9287 10.9287 11.0136 11.0136 11.2451 11.2451 12.1571 12.1571 12.2654 12.2654 12.5366 12.5366 12.6073 12.6073 12.8076 12.8076 13.1106 13.1106 13.3822 13.3822 13.5096 13.5096 13.7963 13.7963 14.4149 14.4149 15.1296 15.1296 15.3438 15.3438 16.1310 16.1310 17.2750 17.2750 18.8130 18.8130 18.8357 18.8357 k =-0.1111 0.0669 0.1297 ( 1684 PWs) bands (ev): 2.0229 2.0229 8.1666 8.1666 8.7946 8.7946 8.9267 8.9267 9.8364 9.8364 10.4942 10.4942 10.7147 10.7147 10.7807 10.7807 10.8377 10.8377 10.9169 10.9169 11.0005 11.0005 11.2511 11.2511 12.1479 12.1479 12.2657 12.2657 12.5401 12.5401 12.6234 12.6234 12.8140 12.8140 13.1033 13.1033 13.3761 13.3761 13.4997 13.4997 13.7953 13.7953 14.4513 14.4513 15.1763 15.1763 15.3556 15.3556 16.2065 16.2065 17.2268 17.2268 18.7745 18.7745 18.7935 18.7935 k =-0.1032 0.0621 0.1204 ( 1688 PWs) bands (ev): 1.9892 1.9892 8.1567 8.1567 8.8441 8.8441 8.9823 8.9823 9.8667 9.8667 10.4551 10.4551 10.7261 10.7261 10.7772 10.7772 10.8340 10.8340 10.9059 10.9059 10.9885 10.9885 11.2568 11.2568 12.1389 12.1389 12.2661 12.2661 12.5431 12.5431 12.6405 12.6405 12.8201 12.8201 13.0953 13.0953 13.3699 13.3699 13.4900 13.4900 13.7942 13.7942 14.4856 14.4856 15.2212 15.2212 15.3709 15.3709 16.2807 16.2807 17.1816 17.1816 18.7358 18.7358 18.7478 18.7478 k =-0.0952 0.0573 0.1111 ( 1674 PWs) bands (ev): 1.9580 1.9580 8.1476 8.1476 8.8923 8.8923 9.0384 9.0384 9.8913 9.8913 10.4141 10.4141 10.7357 10.7357 10.7752 10.7752 10.8335 10.8335 10.8962 10.8962 10.9779 10.9779 11.2623 11.2623 12.1306 12.1306 12.2670 12.2670 12.5462 12.5462 12.6583 12.6583 12.8263 12.8263 13.0868 13.0868 13.3637 13.3637 13.4810 13.4810 13.7932 13.7932 14.5174 14.5174 15.2639 15.2639 15.3899 15.3899 16.3534 16.3534 17.1395 17.1395 18.6970 18.6970 18.7000 18.7000 k =-0.0873 0.0525 0.1019 ( 1676 PWs) bands (ev): 1.9291 1.9291 8.1391 8.1391 8.9390 8.9390 9.0947 9.0947 9.9100 9.9100 10.3708 10.3708 10.7422 10.7422 10.7752 10.7752 10.8358 10.8358 10.8870 10.8870 10.9684 10.9684 11.2670 11.2670 12.1228 12.1228 12.2681 12.2681 12.5490 12.5490 12.6760 12.6760 12.8321 12.8321 13.0775 13.0775 13.3574 13.3574 13.4724 13.4724 13.7921 13.7921 14.5463 14.5463 15.3036 15.3036 15.4125 15.4125 16.4240 16.4240 17.1006 17.1006 18.6512 18.6512 18.6584 18.6584 k =-0.0794 0.0478 0.0926 ( 1672 PWs) bands (ev): 1.9026 1.9026 8.1316 8.1316 8.9840 8.9840 9.1513 9.1513 9.9230 9.9230 10.3257 10.3257 10.7451 10.7451 10.7783 10.7783 10.8408 10.8408 10.8790 10.8790 10.9602 10.9602 11.2711 11.2711 12.1156 12.1156 12.2692 12.2692 12.5517 12.5517 12.6939 12.6939 12.8377 12.8377 13.0676 13.0676 13.3511 13.3511 13.4646 13.4646 13.7910 13.7910 14.5723 14.5723 15.3402 15.3402 15.4386 15.4386 16.4921 16.4921 17.0650 17.0650 18.6025 18.6025 18.6203 18.6203 k =-0.0714 0.0430 0.0834 ( 1671 PWs) bands (ev): 1.8786 1.8786 8.1247 8.1247 9.0269 9.0269 9.2079 9.2079 9.9308 9.9308 10.2791 10.2791 10.7450 10.7450 10.7834 10.7834 10.8481 10.8481 10.8722 10.8722 10.9531 10.9531 11.2746 11.2746 12.1091 12.1091 12.2704 12.2704 12.5543 12.5543 12.7112 12.7112 12.8433 12.8433 13.0571 13.0571 13.3449 13.3449 13.4576 13.4576 13.7899 13.7899 14.5953 14.5953 15.3734 15.3734 15.4673 15.4673 16.5572 16.5572 17.0326 17.0326 18.5551 18.5551 18.5829 18.5829 k =-0.0635 0.0382 0.0741 ( 1671 PWs) bands (ev): 1.8571 1.8571 8.1184 8.1184 9.0675 9.0675 9.2644 9.2644 9.9339 9.9339 10.2313 10.2313 10.7433 10.7433 10.7890 10.7890 10.8574 10.8574 10.8666 10.8666 10.9471 10.9471 11.2773 11.2773 12.1031 12.1031 12.2714 12.2714 12.5567 12.5567 12.7279 12.7279 12.8488 12.8488 13.0460 13.0460 13.3390 13.3390 13.4515 13.4515 13.7887 13.7887 14.6153 14.6153 15.4038 15.4038 15.4973 15.4973 16.6185 16.6185 17.0036 17.0036 18.5098 18.5098 18.5467 18.5467 k =-0.0556 0.0334 0.0648 ( 1679 PWs) bands (ev): 1.8380 1.8380 8.1129 8.1129 9.1054 9.1054 9.3206 9.3206 9.9330 9.9330 10.1829 10.1829 10.7410 10.7410 10.7940 10.7940 10.8615 10.8615 10.8681 10.8681 10.9422 10.9422 11.2791 11.2791 12.0978 12.0978 12.2724 12.2724 12.5588 12.5588 12.7437 12.7437 12.8544 12.8544 13.0344 13.0344 13.3334 13.3334 13.4461 13.4461 13.7876 13.7876 14.6323 14.6323 15.4314 15.4314 15.5272 15.5272 16.6753 16.6753 16.9782 16.9782 18.4676 18.4676 18.5122 18.5122 k =-0.0476 0.0287 0.0556 ( 1679 PWs) bands (ev): 1.8215 1.8215 8.1082 8.1082 9.1400 9.1400 9.3760 9.3760 9.9288 9.9288 10.1344 10.1344 10.7388 10.7388 10.7980 10.7980 10.8588 10.8588 10.8782 10.8782 10.9385 10.9385 11.2805 11.2805 12.0931 12.0931 12.2733 12.2733 12.5608 12.5608 12.7584 12.7584 12.8602 12.8602 13.0226 13.0226 13.3283 13.3283 13.4416 13.4416 13.7867 13.7867 14.6464 14.6464 15.4565 15.4565 15.5557 15.5557 16.7269 16.7269 16.9563 16.9563 18.4291 18.4291 18.4800 18.4800 k =-0.0397 0.0239 0.0463 ( 1673 PWs) bands (ev): 1.8075 1.8075 8.1042 8.1042 9.1710 9.1710 9.4306 9.4306 9.9221 9.9221 10.0866 10.0866 10.7368 10.7368 10.8009 10.8009 10.8572 10.8572 10.8880 10.8880 10.9363 10.9363 11.2813 11.2813 12.0892 12.0892 12.2741 12.2741 12.5625 12.5625 12.7716 12.7716 12.8665 12.8665 13.0106 13.0106 13.3239 13.3239 13.4379 13.4379 13.7859 13.7859 14.6580 14.6580 15.4789 15.4789 15.5817 15.5817 16.7722 16.7722 16.9383 16.9383 18.3953 18.3953 18.4509 18.4509 k =-0.0317 0.0191 0.0370 ( 1681 PWs) bands (ev): 1.7959 1.7959 8.1009 8.1009 9.1975 9.1975 9.4827 9.4827 9.9131 9.9131 10.0410 10.0410 10.7350 10.7350 10.8024 10.8024 10.8565 10.8565 10.8962 10.8962 10.9353 10.9353 11.2816 11.2816 12.0858 12.0858 12.2744 12.2744 12.5638 12.5638 12.7826 12.7826 12.8732 12.8732 12.9986 12.9986 13.3201 13.3201 13.4349 13.4349 13.7852 13.7852 14.6672 14.6672 15.4980 15.4981 15.6041 15.6041 16.8098 16.8098 16.9246 16.9246 18.3666 18.3666 18.4255 18.4255 k =-0.0238 0.0143 0.0278 ( 1689 PWs) bands (ev): 1.7869 1.7869 8.0983 8.0983 9.2191 9.2191 9.5315 9.5315 9.9018 9.9018 10.0002 10.0002 10.7335 10.7335 10.8032 10.8032 10.8564 10.8564 10.9021 10.9021 10.9357 10.9357 11.2816 11.2816 12.0832 12.0832 12.2749 12.2749 12.5649 12.5649 12.7914 12.7914 12.8802 12.8802 12.9873 12.9873 13.3170 13.3170 13.4325 13.4325 13.7846 13.7846 14.6741 14.6741 15.5136 15.5136 15.6223 15.6223 16.8381 16.8381 16.9160 16.9160 18.3437 18.3437 18.4047 18.4047 k =-0.0159 0.0096 0.0185 ( 1681 PWs) bands (ev): 1.7805 1.7805 8.0967 8.0967 9.2350 9.2350 9.5741 9.5741 9.8878 9.8878 9.9690 9.9690 10.7325 10.7325 10.8036 10.8036 10.8568 10.8568 10.9056 10.9056 10.9372 10.9372 11.2815 11.2815 12.0814 12.0814 12.2752 12.2752 12.5657 12.5657 12.7978 12.7978 12.8871 12.8871 12.9775 12.9775 13.3149 13.3149 13.4311 13.4311 13.7843 13.7843 14.6789 14.6789 15.5251 15.5251 15.6359 15.6359 16.8555 16.8555 16.9134 16.9134 18.3270 18.3270 18.3892 18.3892 k =-0.0079 0.0048 0.0093 ( 1681 PWs) bands (ev): 1.7767 1.7767 8.0956 8.0956 9.2449 9.2449 9.6053 9.6053 9.8729 9.8729 9.9507 9.9507 10.7318 10.7318 10.8037 10.8037 10.8572 10.8572 10.9075 10.9075 10.9388 10.9388 11.2814 11.2814 12.0802 12.0802 12.2754 12.2754 12.5661 12.5661 12.8014 12.8014 12.8924 12.8924 12.9704 12.9704 13.3136 13.3136 13.4301 13.4301 13.7841 13.7841 14.6818 14.6818 15.5322 15.5322 15.6441 15.6441 16.8630 16.8630 16.9151 16.9151 18.3168 18.3168 18.3796 18.3796 k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): 1.7754 1.7754 8.0953 8.0953 9.2482 9.2482 9.6171 9.6171 9.8660 9.8660 9.9450 9.9450 10.7316 10.7316 10.8037 10.8037 10.8574 10.8574 10.9080 10.9080 10.9394 10.9394 11.2813 11.2813 12.0798 12.0798 12.2755 12.2755 12.5663 12.5663 12.8027 12.8027 12.8945 12.8945 12.9677 12.9677 13.3131 13.3131 13.4298 13.4298 13.7840 13.7840 14.6827 14.6827 15.5346 15.5346 15.6469 15.6469 16.8647 16.8647 16.9165 16.9165 18.3134 18.3134 18.3764 18.3764 k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): 1.7754 1.7754 8.0953 8.0953 9.2482 9.2482 9.6171 9.6171 9.8660 9.8660 9.9450 9.9450 10.7316 10.7316 10.8037 10.8037 10.8574 10.8574 10.9080 10.9080 10.9394 10.9394 11.2813 11.2813 12.0798 12.0798 12.2755 12.2755 12.5663 12.5663 12.8027 12.8027 12.8945 12.8945 12.9677 12.9677 13.3131 13.3131 13.4298 13.4298 13.7840 13.7840 14.6827 14.6827 15.5346 15.5346 15.6469 15.6469 16.8647 16.8647 16.9165 16.9165 18.3134 18.3134 18.3764 18.3764 k = 0.0067 0.0112-0.0000 ( 1673 PWs) bands (ev): 1.7768 1.7768 8.0876 8.0876 9.2562 9.2562 9.6179 9.6179 9.8641 9.8641 9.9431 9.9431 10.7292 10.7292 10.8052 10.8052 10.8585 10.8585 10.9086 10.9086 10.9397 10.9397 11.2842 11.2842 12.0793 12.0793 12.2748 12.2748 12.5661 12.5661 12.8035 12.8035 12.8953 12.8953 12.9686 12.9686 13.3129 13.3129 13.4296 13.4296 13.7833 13.7833 14.6825 14.6825 15.5310 15.5310 15.6430 15.6430 16.8646 16.8646 16.9168 16.9168 18.3141 18.3141 18.3783 18.3783 k = 0.0135 0.0224-0.0000 ( 1669 PWs) bands (ev): 1.7808 1.7808 8.0650 8.0650 9.2796 9.2796 9.6202 9.6202 9.8586 9.8586 9.9371 9.9371 10.7217 10.7217 10.8097 10.8097 10.8618 10.8618 10.9104 10.9104 10.9405 10.9405 11.2930 11.2930 12.0772 12.0772 12.2725 12.2725 12.5652 12.5652 12.8053 12.8053 12.8968 12.8968 12.9711 12.9711 13.3121 13.3121 13.4288 13.4288 13.7807 13.7807 14.6820 14.6820 15.5204 15.5204 15.6312 15.6312 16.8642 16.8642 16.9176 16.9176 18.3163 18.3163 18.3840 18.3840 k = 0.0202 0.0336-0.0000 ( 1669 PWs) bands (ev): 1.7875 1.7875 8.0292 8.0292 9.3168 9.3168 9.6241 9.6241 9.8496 9.8496 9.9274 9.9274 10.7099 10.7099 10.8167 10.8167 10.8670 10.8670 10.9137 10.9137 10.9419 10.9419 11.3069 11.3069 12.0735 12.0735 12.2688 12.2688 12.5637 12.5637 12.8081 12.8081 12.8994 12.8994 12.9752 12.9752 13.3108 13.3108 13.4274 13.4274 13.7764 13.7764 14.6811 14.6811 15.5027 15.5027 15.6118 15.6118 16.8637 16.8637 16.9190 16.9190 18.3199 18.3199 18.3936 18.3936 k = 0.0269 0.0448-0.0000 ( 1669 PWs) bands (ev): 1.7968 1.7968 7.9824 7.9824 9.3654 9.3654 9.6294 9.6294 9.8372 9.8372 9.9141 9.9141 10.6946 10.6946 10.8258 10.8258 10.8734 10.8734 10.9186 10.9186 10.9439 10.9439 11.3254 11.3254 12.0683 12.0683 12.2637 12.2637 12.5617 12.5617 12.8121 12.8121 12.9030 12.9030 12.9807 12.9807 13.3088 13.3088 13.4254 13.4254 13.7704 13.7704 14.6799 14.6799 15.4783 15.4783 15.5850 15.5850 16.8633 16.8633 16.9211 16.9211 18.3250 18.3250 18.4070 18.4070 k = 0.0337 0.0560-0.0000 ( 1685 PWs) bands (ev): 1.8089 1.8089 7.9267 7.9267 9.4231 9.4231 9.6362 9.6362 9.8213 9.8213 9.8972 9.8972 10.6764 10.6764 10.8367 10.8367 10.8803 10.8803 10.9255 10.9255 10.9462 10.9462 11.3477 11.3477 12.0616 12.0616 12.2572 12.2572 12.5591 12.5591 12.8172 12.8172 12.9075 12.9075 12.9874 12.9874 13.3062 13.3062 13.4227 13.4227 13.7625 13.7625 14.6782 14.6782 15.4473 15.4473 15.5510 15.5510 16.8632 16.8632 16.9240 16.9240 18.3314 18.3314 18.4242 18.4242 k = 0.0404 0.0672-0.0000 ( 1685 PWs) bands (ev): 1.8236 1.8236 7.8645 7.8645 9.4879 9.4879 9.6450 9.6450 9.8028 9.8028 9.8775 9.8775 10.6559 10.6559 10.8493 10.8493 10.8873 10.8873 10.9350 10.9350 10.9494 10.9494 11.3734 11.3734 12.0533 12.0533 12.2495 12.2495 12.5563 12.5563 12.8234 12.8234 12.9130 12.9130 12.9956 12.9956 13.3032 13.3032 13.4196 13.4196 13.7531 13.7531 14.6762 14.6762 15.4101 15.4101 15.5107 15.5107 16.8636 16.8636 16.9278 16.9278 18.3392 18.3392 18.4453 18.4453 k = 0.0471 0.0783-0.0000 ( 1685 PWs) bands (ev): 1.8409 1.8409 7.7973 7.7973 9.5579 9.5579 9.6553 9.6553 9.7816 9.7816 9.8550 9.8550 10.6340 10.6340 10.8630 10.8630 10.8937 10.8937 10.9473 10.9473 10.9537 10.9537 11.4017 11.4017 12.0438 12.0438 12.2407 12.2407 12.5531 12.5531 12.8305 12.8305 12.9194 12.9194 13.0046 13.0046 13.2997 13.2997 13.4161 13.4161 13.7421 13.7421 14.6739 14.6739 15.3672 15.3672 15.4643 15.4643 16.8648 16.8648 16.9326 16.9326 18.3484 18.3484 18.4703 18.4703 k = 0.0539 0.0895-0.0000 ( 1677 PWs) bands (ev): 1.8609 1.8609 7.7264 7.7264 9.6301 9.6301 9.6693 9.6693 9.7579 9.7579 9.8301 9.8301 10.6110 10.6110 10.8774 10.8774 10.8996 10.8996 10.9587 10.9587 10.9624 10.9624 11.4321 11.4321 12.0329 12.0329 12.2309 12.2309 12.5497 12.5497 12.8387 12.8387 12.9267 12.9267 13.0147 13.0147 13.2959 13.2959 13.4122 13.4122 13.7296 13.7296 14.6712 14.6712 15.3191 15.3191 15.4126 15.4126 16.8671 16.8671 16.9386 16.9386 18.3589 18.3589 18.4991 18.4991 k = 0.0606 0.1007-0.0000 ( 1677 PWs) bands (ev): 1.8836 1.8836 7.6526 7.6526 9.6735 9.6735 9.7158 9.7158 9.7320 9.7320 9.8034 9.8034 10.5871 10.5871 10.8919 10.8919 10.9052 10.9052 10.9654 10.9654 10.9788 10.9788 11.4642 11.4642 12.0206 12.0206 12.2202 12.2202 12.5461 12.5461 12.8478 12.8478 12.9348 12.9348 13.0253 13.0253 13.2917 13.2917 13.4078 13.4078 13.7154 13.7154 14.6681 14.6681 15.2662 15.2662 15.3561 15.3561 16.8706 16.8706 16.9458 16.9458 18.3706 18.3706 18.5318 18.5318 k = 0.0673 0.1119-0.0000 ( 1677 PWs) bands (ev): 1.9089 1.9089 7.5769 7.5769 9.6895 9.6895 9.7040 9.7040 9.7700 9.7700 9.7983 9.7983 10.5627 10.5627 10.9059 10.9059 10.9106 10.9106 10.9736 10.9736 10.9966 10.9966 11.4975 11.4975 12.0069 12.0069 12.2088 12.2088 12.5425 12.5425 12.8577 12.8577 12.9437 12.9437 13.0363 13.0363 13.2871 13.2871 13.4031 13.4031 13.6996 13.6996 14.6647 14.6647 15.2093 15.2093 15.2956 15.2956 16.8756 16.8756 16.9543 16.9543 18.3835 18.3835 18.5684 18.5684 k = 0.0741 0.1231-0.0000 ( 1677 PWs) bands (ev): 1.9368 1.9368 7.4998 7.4998 9.6743 9.6743 9.7033 9.7033 9.7436 9.7436 9.8772 9.8772 10.5381 10.5381 10.9155 10.9155 10.9192 10.9192 10.9838 10.9838 11.0155 11.0155 11.5317 11.5317 11.9919 11.9919 12.1968 12.1968 12.5389 12.5389 12.8682 12.8682 12.9531 12.9531 13.0477 13.0477 13.2823 13.2823 13.3982 13.3982 13.6823 13.6823 14.6608 14.6608 15.1488 15.1488 15.2318 15.2318 16.8820 16.8820 16.9642 16.9642 18.3976 18.3976 18.5705 18.5705 k = 0.0808 0.1343-0.0000 ( 1677 PWs) bands (ev): 1.9673 1.9673 7.4218 7.4218 9.6429 9.6429 9.7006 9.7006 9.7307 9.7307 9.9601 9.9601 10.5134 10.5134 10.9209 10.9209 10.9304 10.9304 10.9962 10.9962 11.0350 11.0350 11.5665 11.5665 11.9757 11.9757 12.1844 12.1844 12.5354 12.5354 12.8794 12.8794 12.9630 12.9630 13.0592 13.0592 13.2774 13.2774 13.3930 13.3930 13.6635 13.6635 14.6565 14.6565 15.0857 15.0857 15.1654 15.1654 16.8901 16.8901 16.9754 16.9754 18.4127 18.4127 18.4711 18.4711 k = 0.0876 0.1455-0.0000 ( 1689 PWs) bands (ev): 2.0004 2.0004 7.3432 7.3432 9.6099 9.6099 9.6702 9.6702 9.7449 9.7449 10.0440 10.0440 10.4887 10.4887 10.9261 10.9261 10.9399 10.9399 11.0106 11.0106 11.0546 11.0546 11.6015 11.6015 11.9581 11.9581 12.1717 12.1717 12.5321 12.5321 12.8908 12.8908 12.9732 12.9732 13.0708 13.0708 13.2724 13.2724 13.3877 13.3877 13.6431 13.6431 14.6517 14.6517 15.0203 15.0203 15.0971 15.0971 16.8999 16.8999 16.9881 16.9881 18.3639 18.3639 18.4288 18.4288 k = 0.0943 0.1567-0.0000 ( 1689 PWs) bands (ev): 2.0362 2.0362 7.2645 7.2645 9.5757 9.5757 9.6353 9.6353 9.7637 9.7637 10.1287 10.1287 10.4645 10.4645 10.9313 10.9313 10.9479 10.9479 11.0269 11.0269 11.0747 11.0747 11.6366 11.6366 11.9395 11.9395 12.1588 12.1588 12.5292 12.5292 12.9024 12.9024 12.9836 12.9836 13.0824 13.0824 13.2676 13.2676 13.3825 13.3825 13.6215 13.6215 14.6464 14.6464 14.9535 14.9535 15.0277 15.0277 16.9115 16.9115 17.0023 17.0023 18.2498 18.2498 18.4458 18.4458 k = 0.1010 0.1679-0.0000 ( 1701 PWs) bands (ev): 2.0745 2.0745 7.1855 7.1855 9.5402 9.5402 9.5985 9.5985 9.7842 9.7842 10.2135 10.2135 10.4405 10.4405 10.9363 10.9363 10.9547 10.9547 11.0444 11.0444 11.0947 11.0947 11.6713 11.6713 11.9198 11.9198 12.1454 12.1454 12.5265 12.5265 12.9135 12.9135 12.9934 12.9934 13.0937 13.0937 13.2632 13.2632 13.3775 13.3775 13.5983 13.5983 14.6404 14.6404 14.8860 14.8860 14.9580 14.9580 16.9249 16.9249 17.0181 17.0181 18.1298 18.1298 18.4637 18.4637 k = 0.1078 0.1791-0.0000 ( 1689 PWs) bands (ev): 2.1154 2.1154 7.1071 7.1071 9.5037 9.5037 9.5607 9.5607 9.8062 9.8062 10.2985 10.2985 10.4176 10.4176 10.9413 10.9413 10.9605 10.9605 11.0629 11.0629 11.1149 11.1149 11.7056 11.7056 11.8988 11.8988 12.1327 12.1327 12.5249 12.5249 12.9245 12.9245 13.0033 13.0033 13.1050 13.1050 13.2596 13.2596 13.3730 13.3730 13.5742 13.5742 14.6336 14.6336 14.8183 14.8183 14.8888 14.8888 16.9402 16.9402 17.0354 17.0354 18.0049 18.0049 18.4824 18.4824 k = 0.1145 0.1903-0.0000 ( 1689 PWs) bands (ev): 2.1588 2.1588 7.0288 7.0288 9.4662 9.4662 9.5217 9.5217 9.8294 9.8294 10.3833 10.3833 10.3950 10.3950 10.9458 10.9458 10.9653 10.9653 11.0817 11.0817 11.1347 11.1347 11.7387 11.7387 11.8769 11.8769 12.1202 12.1202 12.5240 12.5240 12.9346 12.9346 13.0125 13.0125 13.1159 13.1159 13.2569 13.2569 13.3690 13.3690 13.5487 13.5487 14.6253 14.6253 14.7510 14.7510 14.8212 14.8212 16.9572 16.9572 17.0543 17.0543 17.8758 17.8758 18.5017 18.5017 k = 0.1212 0.2015-0.0000 ( 1681 PWs) bands (ev): 2.2048 2.2048 6.9511 6.9511 9.4278 9.4278 9.4818 9.4818 9.8538 9.8538 10.3730 10.3730 10.4676 10.4676 10.9499 10.9499 10.9693 10.9693 11.1008 11.1008 11.1544 11.1544 11.7707 11.7707 11.8542 11.8542 12.1087 12.1087 12.5243 12.5243 12.9435 12.9435 13.0207 13.0207 13.1265 13.1265 13.2557 13.2557 13.3659 13.3659 13.5220 13.5220 14.6143 14.6143 14.6847 14.6847 14.7570 14.7570 16.9761 16.9761 17.0747 17.0747 17.7435 17.7435 18.5215 18.5215 k = 0.1280 0.2127-0.0000 ( 1677 PWs) bands (ev): 2.2533 2.2533 6.8740 6.8740 9.3885 9.3885 9.4411 9.4411 9.8792 9.8792 10.3518 10.3518 10.5514 10.5514 10.9535 10.9535 10.9723 10.9723 11.1200 11.1200 11.1738 11.1738 11.8009 11.8009 11.8303 11.8303 12.0974 12.0974 12.5260 12.5260 12.9504 12.9504 13.0275 13.0275 13.1367 13.1367 13.2563 13.2563 13.3640 13.3640 13.4942 13.4942 14.5972 14.5972 14.6199 14.6199 14.7003 14.7003 16.9967 16.9967 17.0969 17.0969 17.6089 17.6089 18.5418 18.5418 k = 0.1347 0.2239-0.0000 ( 1677 PWs) bands (ev): 2.3043 2.3043 6.7976 6.7976 9.3484 9.3484 9.3995 9.3995 9.9058 9.9058 10.3313 10.3313 10.6345 10.6345 10.9564 10.9564 10.9743 10.9743 11.1392 11.1392 11.1930 11.1930 11.8055 11.8055 11.8286 11.8286 12.0869 12.0869 12.5290 12.5290 12.9547 12.9547 13.0321 13.0321 13.1464 13.1464 13.2592 13.2592 13.3636 13.3636 13.4654 13.4654 14.5569 14.5569 14.5667 14.5667 14.6586 14.6586 17.0189 17.0189 17.1206 17.1206 17.4726 17.4726 18.5623 18.5623 k = 0.1414 0.2350-0.0000 ( 1677 PWs) bands (ev): 2.3578 2.3578 6.7219 6.7219 9.3076 9.3076 9.3573 9.3573 9.9333 9.9333 10.3117 10.3117 10.7168 10.7168 10.9584 10.9584 10.9752 10.9752 11.1584 11.1584 11.2120 11.2120 11.7799 11.7799 11.8535 11.8535 12.0776 12.0776 12.5338 12.5338 12.9561 12.9561 13.0345 13.0345 13.1558 13.1558 13.2646 13.2646 13.3649 13.3649 13.4356 13.4356 14.4965 14.4965 14.5204 14.5204 14.6346 14.6346 17.0422 17.0422 17.1461 17.1461 17.3358 17.3358 18.5829 18.5829 k = 0.1482 0.2462-0.0000 ( 1673 PWs) bands (ev): 2.4137 2.4137 6.6472 6.6472 9.2660 9.2660 9.3144 9.3144 9.9618 9.9618 10.2929 10.2929 10.7981 10.7981 10.9596 10.9596 10.9749 10.9749 11.1777 11.1777 11.2310 11.2310 11.7535 11.7535 11.8750 11.8750 12.0699 12.0699 12.5411 12.5411 12.9544 12.9544 13.0343 13.0343 13.1647 13.1647 13.2727 13.2727 13.3682 13.3682 13.4052 13.4052 14.4389 14.4389 14.4673 14.4673 14.6200 14.6200 17.0632 17.0632 17.1732 17.1732 17.2023 17.2023 18.6035 18.6035 k = 0.1549 0.2574-0.0000 ( 1681 PWs) bands (ev): 2.4721 2.4721 6.5732 6.5732 9.2238 9.2238 9.2708 9.2708 9.9911 9.9911 10.2749 10.2749 10.8778 10.8778 10.9597 10.9597 10.9733 10.9733 11.1969 11.1969 11.2499 11.2499 11.7264 11.7264 11.8922 11.8922 12.0639 12.0639 12.5505 12.5505 12.9493 12.9493 13.0311 13.0311 13.1729 13.1729 13.2828 13.2828 13.3736 13.3736 13.3744 13.3744 14.3844 14.3844 14.4134 14.4134 14.6089 14.6089 17.0325 17.0325 17.1219 17.1219 17.2021 17.2021 18.6238 18.6238 k = 0.1616 0.2686-0.0000 ( 1681 PWs) bands (ev): 2.5329 2.5329 6.5004 6.5004 9.1810 9.1810 9.2267 9.2267 10.0212 10.0212 10.2580 10.2580 10.9500 10.9500 10.9650 10.9650 10.9702 10.9702 11.2161 11.2161 11.2689 11.2689 11.6986 11.6986 11.9051 11.9051 12.0599 12.0599 12.5626 12.5626 12.9412 12.9412 13.0255 13.0255 13.1806 13.1806 13.2929 13.2929 13.3457 13.3457 13.3811 13.3811 14.3333 14.3333 14.3612 14.3612 14.5992 14.5992 16.9059 16.9059 17.1394 17.1394 17.2328 17.2328 18.6434 18.6434 k = 0.1684 0.2798-0.0000 ( 1681 PWs) bands (ev): 2.5960 2.5960 6.4286 6.4286 9.1376 9.1376 9.1820 9.1820 10.0521 10.0521 10.2421 10.2421 10.9538 10.9538 10.9655 10.9655 11.0359 11.0359 11.2355 11.2355 11.2883 11.2883 11.6702 11.6702 11.9135 11.9135 12.0579 12.0579 12.5775 12.5775 12.9302 12.9302 13.0172 13.0172 13.1876 13.1876 13.2897 13.2897 13.3320 13.3320 13.3906 13.3906 14.2858 14.2858 14.3116 14.3116 14.5899 14.5899 16.7687 16.7687 17.1697 17.1697 17.2654 17.2654 18.6622 18.6622 k = 0.1751 0.2910-0.0000 ( 1685 PWs) bands (ev): 2.6616 2.6616 6.3579 6.3579 9.0937 9.0937 9.1369 9.1369 10.0836 10.0836 10.2272 10.2272 10.9495 10.9495 10.9591 10.9591 11.1115 11.1115 11.2549 11.2549 11.3082 11.3082 11.6412 11.6412 11.9177 11.9177 12.0573 12.0573 12.5952 12.5952 12.9166 12.9166 13.0064 13.0064 13.1936 13.1936 13.2631 13.2631 13.3429 13.3429 13.4020 13.4020 14.2419 14.2419 14.2652 14.2652 14.5808 14.5808 16.6303 16.6303 17.2036 17.2036 17.2998 17.2998 18.6796 18.6796 k = 0.1818 0.3022-0.0000 ( 1685 PWs) bands (ev): 2.7294 2.7294 6.2883 6.2883 9.0493 9.0493 9.0913 9.0913 10.1157 10.1157 10.2134 10.2134 10.9434 10.9434 10.9510 10.9510 11.1850 11.1850 11.2746 11.2746 11.3293 11.3293 11.6117 11.6117 11.9185 11.9185 12.0575 12.0575 12.6157 12.6157 12.9009 12.9009 12.9936 12.9936 13.1988 13.1988 13.2299 13.2299 13.3617 13.3617 13.4152 13.4152 14.2018 14.2018 14.2222 14.2222 14.5718 14.5718 16.4922 16.4922 17.2401 17.2401 17.3360 17.3360 18.6952 18.6952 k = 0.1886 0.3134-0.0000 ( 1684 PWs) bands (ev): 2.7996 2.7996 6.2198 6.2198 9.0044 9.0044 9.0453 9.0453 10.1483 10.1483 10.2006 10.2006 10.9355 10.9355 10.9411 10.9411 11.2548 11.2548 11.2944 11.2944 11.3532 11.3532 11.5819 11.5819 11.9168 11.9168 12.0578 12.0578 12.6389 12.6389 12.8833 12.8833 12.9790 12.9790 13.1949 13.1949 13.2030 13.2030 13.3832 13.3832 13.4298 13.4298 14.1655 14.1655 14.1827 14.1827 14.5626 14.5626 16.3546 16.3546 17.2788 17.2788 17.3743 17.3743 18.7082 18.7082 k = 0.1953 0.3246-0.0000 ( 1684 PWs) bands (ev): 2.8721 2.8721 6.1526 6.1526 8.9591 8.9591 8.9989 8.9989 10.1813 10.1813 10.1889 10.1889 10.9257 10.9257 10.9295 10.9295 11.3140 11.3140 11.3161 11.3161 11.3846 11.3846 11.5517 11.5517 11.9135 11.9135 12.0576 12.0576 12.6644 12.6644 12.8641 12.8641 12.9630 12.9630 13.1587 13.1587 13.2062 13.2062 13.4064 13.4064 13.4457 13.4457 14.1329 14.1329 14.1468 14.1468 14.5532 14.5532 16.2180 16.2180 17.3199 17.3199 17.4145 17.4145 18.7180 18.7180 k = 0.2020 0.3358-0.0000 ( 1680 PWs) bands (ev): 2.9468 2.9468 6.0866 6.0866 8.9134 8.9134 8.9522 8.9522 10.1784 10.1784 10.2146 10.2146 10.9142 10.9142 10.9161 10.9161 11.3346 11.3346 11.3591 11.3591 11.4321 11.4321 11.5218 11.5218 11.9091 11.9091 12.0564 12.0564 12.6920 12.6920 12.8437 12.8437 12.9458 12.9458 13.1219 13.1219 13.2083 13.2083 13.4308 13.4308 13.4627 13.4627 14.1038 14.1038 14.1144 14.1144 14.5439 14.5439 16.0825 16.0825 17.3631 17.3631 17.4567 17.4567 18.7235 18.7235 k = 0.2088 0.3470-0.0000 ( 1688 PWs) bands (ev): 3.0237 3.0237 6.0218 6.0218 8.8673 8.8673 8.9051 8.9051 10.1690 10.1690 10.2481 10.2481 10.9005 10.9005 10.9013 10.9013 11.3551 11.3551 11.3881 11.3881 11.4775 11.4775 11.5064 11.5064 11.9041 11.9041 12.0541 12.0541 12.7213 12.7213 12.8223 12.8223 12.9278 12.9278 13.0842 13.0842 13.2091 13.2091 13.4560 13.4560 13.4804 13.4804 14.0780 14.0780 14.0854 14.0854 14.5342 14.5342 15.9483 15.9483 17.4086 17.4086 17.5010 17.5010 18.7235 18.7235 k = 0.2155 0.3582-0.0000 ( 1680 PWs) bands (ev): 3.1028 3.1028 5.9584 5.9584 8.8210 8.8210 8.8578 8.8578 10.1610 10.1610 10.2818 10.2818 10.8840 10.8840 10.8862 10.8862 11.3759 11.3759 11.4120 11.4120 11.4550 11.4550 11.5632 11.5632 11.8990 11.8990 12.0508 12.0508 12.7520 12.7520 12.8003 12.8003 12.9093 12.9093 13.0463 13.0463 13.2092 13.2092 13.4820 13.4820 13.4990 13.4990 14.0550 14.0550 14.0602 14.0602 14.5242 14.5242 15.8156 15.8156 17.4563 17.4563 17.5474 17.5474 18.7165 18.7165 k = 0.2222 0.3694-0.0000 ( 1684 PWs) bands (ev): 3.1841 3.1841 5.8962 5.8962 8.7743 8.7743 8.8103 8.8103 10.1539 10.1539 10.3154 10.3154 10.8657 10.8657 10.8696 10.8696 11.3968 11.3968 11.4194 11.4194 11.4388 11.4388 11.6280 11.6280 11.8937 11.8937 12.0465 12.0465 12.7777 12.7777 12.7836 12.7836 12.8906 12.8906 13.0080 13.0080 13.2081 13.2081 13.5083 13.5083 13.5180 13.5180 14.0336 14.0336 14.0391 14.0391 14.5141 14.5141 15.6843 15.6843 17.5064 17.5064 17.5959 17.5959 18.7007 18.7007 k = 0.2290 0.3806-0.0000 ( 1684 PWs) bands (ev): 3.2674 3.2674 5.8353 5.8353 8.7275 8.7275 8.7626 8.7626 10.1480 10.1480 10.3490 10.3490 10.8459 10.8459 10.8516 10.8516 11.3890 11.3890 11.4179 11.4179 11.4593 11.4593 11.6926 11.6926 11.8886 11.8886 12.0414 12.0414 12.7548 12.7548 12.8156 12.8156 12.8723 12.8723 12.9695 12.9695 13.2060 13.2060 13.5350 13.5350 13.5375 13.5375 14.0140 14.0140 14.0218 14.0218 14.5037 14.5037 15.5547 15.5547 17.5587 17.5587 17.6466 17.6466 18.6744 18.6744 k = 0.2357 0.3917-0.0000 ( 1684 PWs) bands (ev): 3.3528 3.3528 5.7758 5.7758 8.6806 8.6806 8.7149 8.7149 10.1433 10.1433 10.3823 10.3823 10.8248 10.8248 10.8322 10.8322 11.3563 11.3563 11.4392 11.4392 11.4816 11.4816 11.7562 11.7562 11.8837 11.8837 12.0356 12.0356 12.7319 12.7319 12.8415 12.8415 12.8607 12.8607 12.9309 12.9309 13.2028 13.2028 13.5572 13.5572 13.5619 13.5619 13.9964 13.9964 14.0075 14.0075 14.4931 14.4931 15.4269 15.4269 17.6133 17.6133 17.6995 17.6995 18.6359 18.6359 k = 0.2424 0.4029-0.0000 ( 1684 PWs) bands (ev): 3.4403 3.4403 5.7176 5.7176 8.6335 8.6335 8.6671 8.6671 10.1399 10.1399 10.4153 10.4153 10.8026 10.8026 10.8117 10.8117 11.3230 11.3230 11.4605 11.4605 11.5041 11.5041 11.8185 11.8185 11.8790 11.8790 12.0293 12.0293 12.7090 12.7090 12.8315 12.8315 12.8855 12.8855 12.8925 12.8925 13.1985 13.1985 13.5773 13.5773 13.5889 13.5889 13.9809 13.9809 13.9955 13.9955 14.4822 14.4822 15.3010 15.3010 17.6702 17.6702 17.7546 17.7546 18.5838 18.5838 k = 0.2492 0.4141-0.0000 ( 1684 PWs) bands (ev): 3.5297 3.5297 5.6608 5.6608 8.5865 8.5865 8.6193 8.6193 10.1376 10.1376 10.4478 10.4478 10.7794 10.7794 10.7901 10.7901 11.2892 11.2892 11.4820 11.4820 11.5268 11.5268 11.8744 11.8744 11.8794 11.8794 12.0228 12.0228 12.6862 12.6862 12.8143 12.8143 12.8538 12.8538 12.9182 12.9182 13.1932 13.1932 13.5974 13.5974 13.6158 13.6158 13.9673 13.9673 13.9854 13.9854 14.4712 14.4712 15.1770 15.1770 17.7295 17.7295 17.8119 17.8119 18.5174 18.5174 k = 0.2559 0.4253-0.0000 ( 1692 PWs) bands (ev): 3.6211 3.6211 5.6053 5.6053 8.5393 8.5393 8.5716 8.5716 10.1366 10.1366 10.4795 10.4795 10.7554 10.7554 10.7676 10.7676 11.2549 11.2549 11.5033 11.5033 11.5496 11.5496 11.8701 11.8701 11.9388 11.9388 12.0162 12.0162 12.6634 12.6634 12.7971 12.7971 12.8158 12.8158 12.9510 12.9510 13.1867 13.1867 13.6177 13.6177 13.6425 13.6425 13.9554 13.9554 13.9769 13.9769 14.4597 14.4597 15.0552 15.0552 17.7911 17.7911 17.8714 17.8714 18.4371 18.4371 k = 0.2627 0.4365-0.0000 ( 1692 PWs) bands (ev): 3.7143 3.7143 5.5513 5.5513 8.4924 8.4924 8.5240 8.5240 10.1369 10.1369 10.5106 10.5106 10.7307 10.7307 10.7444 10.7444 11.2203 11.2203 11.5247 11.5247 11.5724 11.5724 11.8658 11.8658 11.9967 11.9967 12.0097 12.0097 12.6407 12.6407 12.7786 12.7786 12.7807 12.7807 12.9834 12.9834 13.1793 13.1793 13.6379 13.6379 13.6691 13.6691 13.9451 13.9451 13.9699 13.9699 14.4482 14.4482 14.9357 14.9357 17.8550 17.8550 17.9331 17.9331 18.3441 18.3441 k = 0.2694 0.4477-0.0000 ( 1700 PWs) bands (ev): 3.8094 3.8094 5.4987 5.4987 8.4455 8.4455 8.4767 8.4767 10.1382 10.1382 10.5407 10.5407 10.7055 10.7055 10.7206 10.7206 11.1852 11.1852 11.5457 11.5457 11.5951 11.5951 11.8616 11.8616 12.0035 12.0035 12.0530 12.0530 12.6178 12.6178 12.7427 12.7427 12.7652 12.7652 13.0148 13.0148 13.1709 13.1709 13.6582 13.6582 13.6953 13.6953 13.9360 13.9360 13.9639 13.9639 14.4365 14.4365 14.8186 14.8186 17.9213 17.9213 17.9966 17.9966 18.2406 18.2406 k = 0.2761 0.4589-0.0000 ( 1700 PWs) bands (ev): 3.9062 3.9062 5.4475 5.4475 8.3990 8.3990 8.4296 8.4296 10.1410 10.1410 10.5696 10.5696 10.6801 10.6801 10.6966 10.6966 11.1498 11.1498 11.5666 11.5666 11.6177 11.6177 11.8573 11.8573 11.9980 11.9980 12.1077 12.1077 12.5941 12.5941 12.7088 12.7088 12.7506 12.7506 13.0454 13.0454 13.1615 13.1615 13.6784 13.6784 13.7212 13.7212 13.9281 13.9281 13.9589 13.9589 14.4246 14.4246 14.7042 14.7042 17.9899 17.9899 18.0585 18.0585 18.1320 18.1320 k = 0.2829 0.4701-0.0000 ( 1700 PWs) bands (ev): 4.0048 4.0048 5.3978 5.3978 8.3528 8.3528 8.3830 8.3830 10.1450 10.1450 10.5968 10.5968 10.6544 10.6544 10.6725 10.6725 11.1143 11.1143 11.5872 11.5872 11.6401 11.6401 11.8528 11.8528 11.9933 11.9933 12.1607 12.1607 12.5691 12.5691 12.6778 12.6778 12.7373 12.7373 13.0746 13.0746 13.1511 13.1511 13.6984 13.6984 13.7465 13.7465 13.9212 13.9212 13.9545 13.9545 14.4125 14.4125 14.5928 14.5928 18.0025 18.0025 18.0607 18.0607 18.1368 18.1368 k = 0.2896 0.4813-0.0000 ( 1692 PWs) bands (ev): 4.1050 4.1050 5.3495 5.3495 8.3071 8.3071 8.3368 8.3368 10.1504 10.1504 10.6207 10.6207 10.6288 10.6288 10.6499 10.6499 11.0787 11.0787 11.6075 11.6075 11.6622 11.6622 11.8481 11.8481 11.9897 11.9897 12.2121 12.2121 12.5422 12.5422 12.6508 12.6508 12.7252 12.7252 13.1019 13.1019 13.1398 13.1398 13.7184 13.7184 13.7713 13.7713 13.9152 13.9152 13.9507 13.9507 14.4004 14.4004 14.4846 14.4846 17.8800 17.8800 18.1339 18.1339 18.2059 18.2059 k = 0.2963 0.4925-0.0000 ( 1692 PWs) bands (ev): 4.2068 4.2068 5.3026 5.3026 8.2617 8.2617 8.2911 8.2911 10.1570 10.1570 10.6032 10.6032 10.6195 10.6195 10.6500 10.6500 11.0433 11.0433 11.6271 11.6271 11.6837 11.6837 11.8429 11.8429 11.9872 11.9872 12.2613 12.2613 12.5127 12.5127 12.6284 12.6284 12.7144 12.7144 13.1270 13.1270 13.1277 13.1277 13.7380 13.7380 13.7952 13.7952 13.9099 13.9099 13.9470 13.9470 14.3802 14.3802 14.3879 14.3879 17.7531 17.7531 18.2092 18.2092 18.2785 18.2785 k = 0.3031 0.5037-0.0000 ( 1684 PWs) bands (ev): 4.3101 4.3101 5.2573 5.2573 8.2170 8.2170 8.2460 8.2460 10.1649 10.1649 10.5779 10.5779 10.5967 10.5967 10.6686 10.6686 11.0092 11.0092 11.6461 11.6461 11.7045 11.7045 11.8372 11.8372 11.9861 11.9861 12.3083 12.3083 12.4812 12.4812 12.6111 12.6111 12.7052 12.7052 13.1145 13.1145 13.1493 13.1493 13.7573 13.7573 13.8179 13.8179 13.9057 13.9057 13.9436 13.9436 14.2801 14.2801 14.3753 14.3753 17.6245 17.6245 18.2868 18.2868 18.3536 18.3536 k = 0.3098 0.5149-0.0000 ( 1692 PWs) bands (ev): 4.4149 4.4149 5.2133 5.2133 8.1728 8.1728 8.2016 8.2016 10.1739 10.1739 10.5528 10.5528 10.5729 10.5729 10.6841 10.6841 10.9766 10.9766 11.6643 11.6643 11.7245 11.7245 11.8307 11.8307 11.9861 11.9861 12.3522 12.3522 12.4481 12.4481 12.5986 12.5986 12.6972 12.6972 13.1005 13.1005 13.1679 13.1679 13.7760 13.7760 13.8384 13.8384 13.9030 13.9030 13.9399 13.9399 14.1850 14.1850 14.3625 14.3625 17.4958 17.4958 18.3664 18.3664 18.4309 18.4309 k = 0.3165 0.5261-0.0000 ( 1692 PWs) bands (ev): 4.5210 4.5210 5.1709 5.1709 8.1294 8.1294 8.1579 8.1579 10.1842 10.1842 10.5282 10.5282 10.5491 10.5491 10.6934 10.6934 10.9481 10.9481 11.6817 11.6817 11.7435 11.7435 11.8241 11.8241 11.9877 11.9877 12.3883 12.3883 12.4185 12.4185 12.5915 12.5915 12.6911 12.6911 13.0858 13.0858 13.1817 13.1817 13.7941 13.7941 13.8549 13.8549 13.9039 13.9039 13.9360 13.9360 14.0967 14.0967 14.3496 14.3496 17.3680 17.3680 18.4480 18.4480 18.5103 18.5103 k = 0.3233 0.5373-0.0000 ( 1688 PWs) bands (ev): 4.6283 4.6283 5.1299 5.1299 8.0867 8.0867 8.1150 8.1150 10.1958 10.1958 10.5041 10.5041 10.5257 10.5257 10.6936 10.6936 10.9262 10.9262 11.6982 11.6982 11.7614 11.7614 11.8172 11.8172 11.9909 11.9909 12.3732 12.3732 12.4350 12.4350 12.5908 12.5908 12.6866 12.6866 13.0701 13.0701 13.1895 13.1895 13.8108 13.8108 13.8637 13.8637 13.9118 13.9118 13.9315 13.9315 14.0170 14.0170 14.3366 14.3366 17.2419 17.2419 18.5316 18.5316 18.5916 18.5916 k = 0.3300 0.5484-0.0000 ( 1688 PWs) bands (ev): 4.7369 4.7369 5.0905 5.0905 8.0450 8.0450 8.0730 8.0730 10.2084 10.2084 10.4806 10.4806 10.5026 10.5026 10.6819 10.6819 10.9132 10.9132 11.7136 11.7136 11.7779 11.7779 11.8099 11.8099 11.9953 11.9953 12.3388 12.3388 12.4641 12.4641 12.5979 12.5979 12.6839 12.6839 13.0538 13.0538 13.1896 13.1896 13.8242 13.8242 13.8646 13.8646 13.9227 13.9227 13.9275 13.9275 13.9522 13.9522 14.3234 14.3234 17.1185 17.1185 18.6170 18.6170 18.6748 18.6748 k = 0.3367 0.5596-0.0000 ( 1692 PWs) bands (ev): 4.8464 4.8464 5.0525 5.0525 8.0041 8.0041 8.0320 8.0320 10.2222 10.2222 10.4578 10.4578 10.4801 10.4801 10.6579 10.6579 10.9095 10.9095 11.7277 11.7277 11.7929 11.7929 11.8025 11.8025 12.0008 12.0008 12.3035 12.3035 12.4865 12.4865 12.6140 12.6140 12.6829 12.6829 13.0367 13.0367 13.1801 13.1801 13.8257 13.8257 13.8614 13.8614 13.8966 13.8966 13.9276 13.9276 13.9448 13.9448 14.3102 14.3102 16.9982 16.9982 18.7041 18.7041 18.7596 18.7596 k = 0.3435 0.5708-0.0000 ( 1692 PWs) bands (ev): 4.9569 4.9569 5.0161 5.0161 7.9643 7.9643 7.9920 7.9920 10.2372 10.2372 10.4357 10.4357 10.4580 10.4580 10.6235 10.6235 10.9131 10.9131 11.7407 11.7407 11.7951 11.7951 11.8064 11.8064 12.0076 12.0076 12.2683 12.2683 12.5023 12.5023 12.6384 12.6384 12.6837 12.6837 13.0190 13.0190 13.1595 13.1595 13.8022 13.8022 13.8563 13.8563 13.8886 13.8886 13.9211 13.9211 13.9636 13.9636 14.2970 14.2970 16.8816 16.8816 18.7928 18.7928 18.8461 18.8461 k = 0.3502 0.5820-0.0000 ( 1700 PWs) bands (ev): 4.9811 4.9811 5.0683 5.0683 7.9255 7.9255 7.9532 7.9532 10.2531 10.2531 10.4144 10.4144 10.4365 10.4365 10.5813 10.5813 10.9212 10.9212 11.7522 11.7522 11.7881 11.7881 11.8183 11.8183 12.0151 12.0151 12.2331 12.2331 12.5139 12.5139 12.6680 12.6680 12.6862 12.6862 13.0004 13.0004 13.1272 13.1272 13.7720 13.7720 13.8500 13.8500 13.8973 13.8973 13.9162 13.9162 13.9824 13.9824 14.2837 14.2837 16.7692 16.7692 18.8828 18.8828 18.9340 18.9340 k = 0.3569 0.5932-0.0000 ( 1700 PWs) bands (ev): 4.9477 4.9477 5.1803 5.1803 7.8880 7.8880 7.9155 7.9155 10.2699 10.2699 10.3940 10.3940 10.4153 10.4153 10.5338 10.5338 10.9319 10.9319 11.7615 11.7615 11.7823 11.7823 11.8285 11.8285 12.0239 12.0239 12.1989 12.1989 12.5242 12.5242 12.6905 12.6905 12.7002 12.7002 12.9814 12.9814 13.0839 13.0839 13.7493 13.7493 13.8430 13.8430 13.9030 13.9030 13.9182 13.9182 14.0009 14.0009 14.2704 14.2704 16.6612 16.6612 18.9741 18.9741 19.0231 19.0231 k = 0.3637 0.6044-0.0000 ( 1708 PWs) bands (ev): 4.9158 4.9158 5.2928 5.2928 7.8516 7.8516 7.8791 7.8791 10.2874 10.2874 10.3749 10.3749 10.3940 10.3940 10.4825 10.4825 10.9437 10.9437 11.7651 11.7651 11.7812 11.7812 11.8371 11.8371 12.0334 12.0334 12.1653 12.1653 12.5345 12.5345 12.6964 12.6964 12.7331 12.7331 12.9614 12.9614 13.0315 13.0315 13.7355 13.7355 13.8352 13.8352 13.8988 13.8988 13.9304 13.9304 14.0186 14.0186 14.2572 14.2572 16.5580 16.5580 19.0664 19.0664 19.1132 19.1132 k = 0.3704 0.6156-0.0000 ( 1708 PWs) bands (ev): 4.8854 4.8854 5.4056 5.4056 7.8167 7.8167 7.8440 7.8440 10.3049 10.3049 10.3576 10.3576 10.3709 10.3709 10.4301 10.4301 10.9560 10.9560 11.7617 11.7617 11.7864 11.7864 11.8440 11.8440 12.0438 12.0438 12.1326 12.1326 12.5459 12.5459 12.7040 12.7040 12.7662 12.7662 12.9394 12.9394 12.9739 12.9739 13.7292 13.7292 13.8268 13.8268 13.8922 13.8922 13.9448 13.9448 14.0358 14.0358 14.2440 14.2440 16.4598 16.4598 19.1594 19.1594 19.2041 19.2041 k = 0.3771 0.6268-0.0000 ( 1700 PWs) bands (ev): 4.8565 4.8565 5.5187 5.5187 7.7831 7.7831 7.8104 7.8104 10.3179 10.3179 10.3384 10.3384 10.3466 10.3466 10.3846 10.3846 10.9682 10.9682 11.7562 11.7562 11.7930 11.7930 11.8493 11.8493 12.0551 12.0551 12.1012 12.1012 12.5585 12.5585 12.7131 12.7131 12.7988 12.7988 12.8994 12.8994 12.9293 12.9293 13.7285 13.7285 13.8180 13.8180 13.8850 13.8850 13.9594 13.9594 14.0523 14.0523 14.2310 14.2310 16.3669 16.3669 19.2530 19.2530 19.2955 19.2955 k = 0.3839 0.6380-0.0000 ( 1700 PWs) bands (ev): 4.8292 4.8292 5.6316 5.6316 7.7509 7.7509 7.7781 7.7781 10.2869 10.2869 10.3130 10.3130 10.3549 10.3549 10.3564 10.3564 10.9802 10.9802 11.7507 11.7507 11.7991 11.7991 11.8531 11.8531 12.0669 12.0669 12.0706 12.0706 12.5724 12.5724 12.7233 12.7233 12.8305 12.8305 12.8350 12.8350 12.9059 12.9059 13.7316 13.7316 13.8085 13.8085 13.8773 13.8773 13.9735 13.9735 14.0679 14.0679 14.2182 14.2182 16.2793 16.2793 19.3467 19.3467 19.3872 19.3872 k = 0.3906 0.6492-0.0000 ( 1700 PWs) bands (ev): 4.8033 4.8033 5.7441 5.7441 7.7202 7.7202 7.7474 7.7474 10.2249 10.2249 10.2993 10.2993 10.3361 10.3361 10.3744 10.3744 10.9917 10.9917 11.7455 11.7455 11.8044 11.8044 11.8555 11.8555 12.0411 12.0411 12.0794 12.0794 12.5874 12.5874 12.7342 12.7342 12.7666 12.7666 12.8610 12.8610 12.8852 12.8852 13.7368 13.7368 13.7986 13.7986 13.8696 13.8696 13.9871 13.9871 14.0825 14.0825 14.2058 14.2058 16.1972 16.1972 19.4404 19.4404 19.4787 19.4787 k = 0.3973 0.6604-0.0000 ( 1692 PWs) bands (ev): 4.7791 4.7791 5.8560 5.8560 7.6911 7.6911 7.7183 7.7183 10.1583 10.1583 10.2849 10.2849 10.3194 10.3194 10.3956 10.3956 11.0027 11.0027 11.7410 11.7410 11.8090 11.8090 11.8568 11.8568 12.0131 12.0131 12.0923 12.0923 12.6035 12.6035 12.6970 12.6970 12.7460 12.7460 12.8654 12.8654 12.8907 12.8907 13.7434 13.7434 13.7883 13.7883 13.8621 13.8621 14.0003 14.0003 14.0962 14.0962 14.1939 14.1939 16.1205 16.1205 19.5335 19.5335 19.5698 19.5698 k = 0.4041 0.6716-0.0000 ( 1692 PWs) bands (ev): 4.7563 4.7563 5.9669 5.9669 7.6635 7.6635 7.6907 7.6907 10.0890 10.0890 10.2710 10.2710 10.3044 10.3044 10.4178 10.4178 11.0132 11.0132 11.7373 11.7373 11.8127 11.8127 11.8566 11.8566 11.9864 11.9864 12.1056 12.1056 12.6204 12.6204 12.6281 12.6281 12.7567 12.7567 12.8472 12.8472 12.9187 12.9187 13.7498 13.7498 13.7776 13.7776 13.8551 13.8551 14.0128 14.0128 14.1083 14.1083 14.1828 14.1828 16.0493 16.0493 19.6256 19.6256 19.6599 19.6599 k = 0.4108 0.6828-0.0000 ( 1692 PWs) bands (ev): 4.7351 4.7351 6.0765 6.0765 7.6376 7.6376 7.6648 7.6648 10.0177 10.0177 10.2579 10.2579 10.2906 10.2906 10.4405 10.4405 11.0230 11.0230 11.7344 11.7344 11.8156 11.8156 11.8551 11.8551 11.9616 11.9616 12.1191 12.1191 12.5603 12.5603 12.6380 12.6380 12.7646 12.7646 12.8326 12.8326 12.9454 12.9454 13.7551 13.7551 13.7667 13.7667 13.8492 13.8492 14.0245 14.0245 14.1185 14.1185 14.1732 14.1732 15.9836 15.9836 19.7163 19.7163 19.7486 19.7486 k = 0.4176 0.6940-0.0000 ( 1692 PWs) bands (ev): 4.7154 4.7154 6.1842 6.1842 7.6134 7.6134 7.6406 7.6406 9.9450 9.9450 10.2456 10.2456 10.2780 10.2780 10.4633 10.4633 11.0323 11.0323 11.7326 11.7326 11.8179 11.8179 11.8523 11.8523 11.9388 11.9388 12.1325 12.1325 12.4943 12.4943 12.6558 12.6558 12.7649 12.7649 12.8261 12.8261 12.9706 12.9706 13.7550 13.7550 13.7592 13.7592 13.8451 13.8451 14.0354 14.0354 14.1252 14.1252 14.1666 14.1666 15.9233 15.9233 19.8051 19.8051 19.8353 19.8353 k = 0.4243 0.7051-0.0000 ( 1716 PWs) bands (ev): 4.6972 4.6972 6.2894 6.2894 7.5910 7.5910 7.6181 7.6181 9.8715 9.8715 10.2340 10.2340 10.2662 10.2662 10.4860 10.4860 11.0409 11.0409 11.7318 11.7318 11.8195 11.8195 11.8475 11.8475 11.9185 11.9185 12.1454 12.1454 12.4307 12.4307 12.6736 12.6736 12.7550 12.7550 12.8298 12.8298 12.9939 12.9939 13.7439 13.7439 13.7596 13.7596 13.8430 13.8430 14.0454 14.0454 14.1260 14.1260 14.1651 14.1651 15.8681 15.8681 19.8913 19.8913 19.9196 19.9196 k = 0.4310 0.7163-0.0000 ( 1712 PWs) bands (ev): 4.6806 4.6806 6.3917 6.3917 7.5703 7.5703 7.5975 7.5975 9.7982 9.7982 10.2237 10.2237 10.2558 10.2558 10.5086 10.5086 11.0491 11.0491 11.7325 11.7325 11.8208 11.8208 11.8409 11.8409 11.9018 11.9018 12.1570 12.1570 12.3711 12.3711 12.6913 12.6913 12.7392 12.7392 12.8399 12.8399 13.0159 13.0159 13.7328 13.7328 13.7577 13.7577 13.8438 13.8438 14.0549 14.0549 14.1215 14.1215 14.1690 14.1690 15.8184 15.8184 19.9743 19.9743 20.0006 20.0006 k = 0.4310 0.7163-0.0000 ( 1712 PWs) bands (ev): 4.6806 4.6806 6.3917 6.3917 7.5703 7.5703 7.5975 7.5975 9.7982 9.7982 10.2237 10.2237 10.2558 10.2558 10.5086 10.5086 11.0491 11.0491 11.7325 11.7325 11.8208 11.8208 11.8409 11.8409 11.9018 11.9018 12.1570 12.1570 12.3711 12.3711 12.6913 12.6913 12.7392 12.7392 12.8399 12.8399 13.0159 13.0159 13.7328 13.7328 13.7577 13.7577 13.8438 13.8438 14.0549 14.0549 14.1215 14.1215 14.1690 14.1690 15.8184 15.8184 19.9743 19.9743 20.0006 20.0006 k = 0.4275 0.7106 0.0112 ( 1713 PWs) bands (ev): 4.6871 4.6871 6.3399 6.3399 7.5813 7.5813 7.6087 7.6087 9.8337 9.8337 10.2290 10.2290 10.2609 10.2609 10.5004 10.5004 11.0450 11.0450 11.7297 11.7297 11.8193 11.8193 11.8438 11.8438 11.9110 11.9110 12.1509 12.1509 12.4013 12.4013 12.6840 12.6840 12.7482 12.7482 12.8354 12.8354 13.0050 13.0050 13.7387 13.7387 13.7563 13.7563 13.8391 13.8391 14.0502 14.0502 14.1238 14.1238 14.1760 14.1760 15.8435 15.8435 19.9289 19.9289 19.9571 19.9571 k = 0.4241 0.7048 0.0224 ( 1713 PWs) bands (ev): 4.6905 4.6905 6.2884 6.2884 7.5923 7.5923 7.6238 7.6238 9.8642 9.8642 10.2342 10.2342 10.2656 10.2656 10.5004 10.5004 11.0411 11.0411 11.7230 11.7230 11.8167 11.8167 11.8438 11.8438 11.9230 11.9230 12.1435 12.1435 12.4320 12.4320 12.6806 12.6806 12.7574 12.7574 12.8341 12.8341 12.9943 12.9943 13.7418 13.7418 13.7492 13.7492 13.8322 13.8322 14.0413 14.0413 14.1328 14.1328 14.1958 14.1958 15.8701 15.8701 19.8744 19.8744 19.9111 19.9111 k = 0.4206 0.6990 0.0337 ( 1709 PWs) bands (ev): 4.6906 4.6906 6.2374 6.2374 7.6001 7.6001 7.6457 7.6457 9.8892 9.8892 10.2387 10.2387 10.2695 10.2695 10.5097 10.5097 11.0374 11.0374 11.7134 11.7134 11.8129 11.8129 11.8407 11.8407 11.9372 11.9372 12.1348 12.1348 12.4625 12.4625 12.6813 12.6813 12.7670 12.7670 12.8360 12.8360 12.9837 12.9837 13.7236 13.7236 13.7537 13.7537 13.8296 13.8296 14.0253 14.0253 14.1545 14.1545 14.2208 14.2208 15.8981 15.8981 19.8077 19.8077 19.8661 19.8661 k = 0.4171 0.6932 0.0449 ( 1705 PWs) bands (ev): 4.6879 4.6879 6.1870 6.1870 7.6043 7.6043 7.6747 7.6747 9.9082 9.9082 10.2425 10.2425 10.2730 10.2730 10.5284 10.5284 11.0340 11.0340 11.7015 11.7015 11.8077 11.8077 11.8346 11.8346 11.9526 11.9526 12.1251 12.1251 12.4921 12.4921 12.6859 12.6859 12.7771 12.7771 12.8408 12.8408 12.9737 12.9737 13.6958 13.6958 13.7606 13.7606 13.8319 13.8319 14.0049 14.0049 14.1848 14.1848 14.2484 14.2484 15.9276 15.9276 19.7297 19.7297 19.8222 19.8222 k = 0.4136 0.6874 0.0561 ( 1703 PWs) bands (ev): 4.6824 4.6824 6.1372 6.1372 7.6057 7.6057 7.7100 7.7100 9.9207 9.9207 10.2459 10.2459 10.2768 10.2768 10.5551 10.5551 11.0310 11.0310 11.6880 11.6880 11.8008 11.8008 11.8259 11.8259 11.9680 11.9680 12.1150 12.1150 12.5201 12.5201 12.6942 12.6942 12.7879 12.7879 12.8482 12.8482 12.9644 12.9644 13.6650 13.6650 13.7673 13.7673 13.8374 13.8374 13.9828 13.9828 14.2195 14.2195 14.2781 14.2781 15.9588 15.9588 19.6424 19.6424 19.7788 19.7788 k = 0.4101 0.6816 0.0673 ( 1699 PWs) bands (ev): 4.6744 4.6744 6.0881 6.0881 7.6049 7.6049 7.7509 7.7509 9.9266 9.9266 10.2501 10.2501 10.2815 10.2815 10.5883 10.5883 11.0285 11.0285 11.6735 11.6735 11.7920 11.7920 11.8150 11.8150 11.9819 11.9819 12.1056 12.1056 12.5461 12.5461 12.7059 12.7059 12.7996 12.7996 12.8579 12.8579 12.9563 12.9563 13.6341 13.6341 13.7731 13.7731 13.8448 13.8448 13.9605 13.9605 14.2563 14.2563 14.3102 14.3102 15.9915 15.9915 19.5474 19.5474 19.7355 19.7355 k = 0.4067 0.6758 0.0786 ( 1699 PWs) bands (ev): 4.6641 4.6641 6.0397 6.0397 7.6022 7.6022 7.7967 7.7967 9.9261 9.9261 10.2564 10.2564 10.2870 10.2870 10.6257 10.6257 11.0266 11.0266 11.6583 11.6583 11.7812 11.7812 11.8023 11.8023 11.9924 11.9924 12.0986 12.0986 12.5696 12.5696 12.7202 12.7202 12.8118 12.8118 12.8694 12.8694 12.9500 12.9500 13.6045 13.6045 13.7774 13.7774 13.8532 13.8532 13.9390 13.9390 14.2933 14.2933 14.3450 14.3450 16.0260 16.0260 19.4467 19.4467 19.6921 19.6921 k = 0.4032 0.6701 0.0898 ( 1702 PWs) bands (ev): 4.6519 4.6519 5.9921 5.9921 7.5980 7.5980 7.8471 7.8471 9.9198 9.9198 10.2652 10.2652 10.2935 10.2935 10.6659 10.6659 11.0256 11.0256 11.6426 11.6426 11.7684 11.7684 11.7881 11.7881 11.9967 11.9967 12.0968 12.0968 12.5904 12.5904 12.7363 12.7363 12.8242 12.8242 12.8825 12.8825 12.9465 12.9465 13.5774 13.5774 13.7793 13.7793 13.8620 13.8620 13.9197 13.9197 14.3296 14.3296 14.3826 14.3826 16.0623 16.0623 19.3418 19.3418 19.6487 19.6487 k = 0.3997 0.6643 0.1010 ( 1700 PWs) bands (ev): 4.6380 4.6380 5.9455 5.9455 7.5925 7.5925 7.9017 7.9017 9.9085 9.9085 10.2763 10.2763 10.3011 10.3011 10.7074 10.7074 11.0255 11.0255 11.6267 11.6267 11.7537 11.7537 11.7726 11.7726 11.9936 11.9936 12.1018 12.1018 12.6082 12.6082 12.7533 12.7533 12.8365 12.8365 12.8963 12.8963 12.9473 12.9473 13.5534 13.5534 13.7777 13.7777 13.8695 13.8695 13.9053 13.9053 14.3651 14.3651 14.4227 14.4227 16.1008 16.1008 19.2346 19.2346 19.6052 19.6052 k = 0.3962 0.6585 0.1122 ( 1700 PWs) bands (ev): 4.6228 4.6228 5.8998 5.8998 7.5859 7.5859 7.9600 7.9600 9.8931 9.8931 10.2882 10.2882 10.3109 10.3109 10.7489 10.7489 11.0268 11.0268 11.6107 11.6107 11.7371 11.7371 11.7563 11.7563 11.9839 11.9839 12.1123 12.1123 12.6230 12.6230 12.7697 12.7697 12.8483 12.8483 12.9095 12.9095 12.9545 12.9545 13.5329 13.5329 13.7712 13.7712 13.8718 13.8718 13.9007 13.9007 14.4000 14.4000 14.4644 14.4644 16.1414 16.1414 19.1267 19.1267 19.5616 19.5616 k = 0.3927 0.6527 0.1234 ( 1700 PWs) bands (ev): 4.6064 4.6064 5.8551 5.8551 7.5784 7.5784 8.0218 8.0218 9.8748 9.8748 10.2989 10.2989 10.3243 10.3243 10.7892 10.7892 11.0297 11.0297 11.5948 11.5948 11.7187 11.7187 11.7394 11.7394 11.9700 11.9700 12.1260 12.1260 12.6348 12.6348 12.7842 12.7842 12.8601 12.8601 12.9219 12.9219 12.9691 12.9691 13.5160 13.5160 13.7594 13.7594 13.8688 13.8688 13.9065 13.9065 14.4349 14.4349 14.5066 14.5066 16.1844 16.1844 19.0197 19.0197 19.5178 19.5178 k = 0.3892 0.6469 0.1347 ( 1701 PWs) bands (ev): 4.5891 4.5891 5.8115 5.8115 7.5702 7.5702 8.0867 8.0867 9.8541 9.8541 10.3076 10.3076 10.3417 10.3417 10.8273 10.8273 11.0347 11.0347 11.5791 11.5791 11.6986 11.6986 11.7221 11.7221 11.9537 11.9537 12.1410 12.1410 12.6436 12.6436 12.7950 12.7950 12.8730 12.8730 12.9349 12.9349 12.9894 12.9894 13.5026 13.5026 13.7428 13.7428 13.8661 13.8661 13.9162 13.9162 14.4703 14.4703 14.5482 14.5482 16.2301 16.2301 18.9153 18.9153 19.4739 19.4739 k = 0.3858 0.6411 0.1459 ( 1705 PWs) bands (ev): 4.5713 4.5713 5.7689 5.7689 7.5615 7.5615 8.1544 8.1544 9.8317 9.8317 10.3149 10.3149 10.3617 10.3617 10.8620 10.8620 11.0422 11.0422 11.5637 11.5637 11.6771 11.6771 11.7046 11.7046 11.9359 11.9359 12.1562 12.1562 12.6497 12.6497 12.8014 12.8014 12.8877 12.8877 12.9497 12.9497 13.0136 13.0136 13.4927 13.4927 13.7228 13.7228 13.8653 13.8653 13.9269 13.9269 14.5064 14.5064 14.5881 14.5881 16.2788 16.2788 18.8150 18.8150 19.4299 19.4299 k = 0.3823 0.6353 0.1571 ( 1703 PWs) bands (ev): 4.5531 4.5531 5.7275 5.7275 7.5525 7.5525 8.2244 8.2244 9.8080 9.8080 10.3215 10.3215 10.3834 10.3834 10.8923 10.8923 11.0529 11.0529 11.5487 11.5487 11.6546 11.6546 11.6873 11.6873 11.9174 11.9174 12.1709 12.1709 12.6535 12.6535 12.8041 12.8041 12.9042 12.9042 12.9671 12.9671 13.0404 13.0404 13.4858 13.4858 13.7006 13.7006 13.8659 13.8659 13.9379 13.9379 14.5436 14.5436 14.6255 14.6255 16.3308 16.3308 18.7202 18.7202 19.3856 19.3856 k = 0.3788 0.6296 0.1683 ( 1703 PWs) bands (ev): 4.5348 4.5348 5.6873 5.6873 7.5433 7.5433 8.2965 8.2965 9.7833 9.7833 10.3276 10.3276 10.4060 10.4060 10.9175 10.9175 11.0671 11.0671 11.5341 11.5341 11.6312 11.6312 11.6704 11.6704 11.8982 11.8982 12.1844 12.1844 12.6557 12.6557 12.8043 12.8043 12.9212 12.9212 12.9870 12.9870 13.0688 13.0688 13.4815 13.4815 13.6773 13.6773 13.8674 13.8674 13.9486 13.9486 14.5819 14.5819 14.6594 14.6594 16.3863 16.3863 18.6326 18.6326 19.3411 19.3411 k = 0.3753 0.6238 0.1795 ( 1703 PWs) bands (ev): 4.5165 4.5165 5.6482 5.6482 7.5342 7.5342 8.3704 8.3704 9.7578 9.7578 10.3333 10.3333 10.4292 10.4292 10.9377 10.9377 11.0842 11.0842 11.5199 11.5199 11.6071 11.6071 11.6539 11.6539 11.8788 11.8788 12.1963 12.1963 12.6570 12.6570 12.8030 12.8030 12.9379 12.9379 13.0091 13.0091 13.0985 13.0985 13.4792 13.4792 13.6535 13.6535 13.8693 13.8693 13.9587 13.9587 14.6215 14.6215 14.6888 14.6888 16.4459 16.4459 18.5533 18.5533 19.2964 19.2964 k = 0.3718 0.6180 0.1908 ( 1701 PWs) bands (ev): 4.4985 4.4985 5.6103 5.6103 7.5253 7.5253 8.4458 8.4458 9.7316 9.7316 10.3387 10.3387 10.4526 10.4526 10.9537 10.9537 11.1030 11.1030 11.5062 11.5062 11.5828 11.5828 11.6384 11.6384 11.8591 11.8591 12.2064 12.2064 12.6581 12.6581 12.8012 12.8012 12.9541 12.9541 13.0332 13.0332 13.1289 13.1289 13.4784 13.4784 13.6295 13.6295 13.8715 13.8715 13.9681 13.9681 14.6618 14.6618 14.7136 14.7136 16.5098 16.5098 18.4836 18.4836 19.2515 19.2515 k = 0.3684 0.6122 0.2020 ( 1707 PWs) bands (ev): 4.4809 4.4809 5.5737 5.5737 7.5166 7.5166 8.5223 8.5223 9.7045 9.7045 10.3437 10.3437 10.4758 10.4758 10.9667 10.9667 11.1221 11.1221 11.4928 11.4928 11.5585 11.5585 11.6239 11.6239 11.8389 11.8389 12.2140 12.2140 12.6596 12.6596 12.7991 12.7991 12.9695 12.9695 13.0585 13.0585 13.1598 13.1598 13.4783 13.4783 13.6058 13.6058 13.8736 13.8736 13.9768 13.9768 14.7000 14.7000 14.7359 14.7359 16.5783 16.5783 18.4247 18.4247 19.2062 19.2062 k = 0.3649 0.6064 0.2132 ( 1707 PWs) bands (ev): 4.4640 4.4640 5.5383 5.5383 7.5085 7.5085 8.5998 8.5998 9.6769 9.6769 10.3483 10.3483 10.4988 10.4988 10.9780 10.9780 11.1399 11.1399 11.4792 11.4792 11.5348 11.5348 11.6110 11.6110 11.8188 11.8188 12.2192 12.2192 12.6622 12.6622 12.7971 12.7971 12.9840 12.9840 13.0847 13.0847 13.1909 13.1909 13.4782 13.4782 13.5828 13.5828 13.8758 13.8758 13.9846 13.9846 14.7243 14.7243 14.7672 14.7672 16.6517 16.6517 18.3775 18.3775 19.1606 19.1606 k = 0.3614 0.6006 0.2244 ( 1705 PWs) bands (ev): 4.4478 4.4478 5.5042 5.5042 7.5010 7.5010 8.6779 8.6779 9.6484 9.6484 10.3526 10.3526 10.5213 10.5213 10.9882 10.9882 11.1554 11.1554 11.4648 11.4648 11.5126 11.5126 11.6000 11.6000 11.7987 11.7987 12.2217 12.2217 12.6662 12.6662 12.7955 12.7955 12.9978 12.9978 13.1113 13.1113 13.2219 13.2219 13.4775 13.4775 13.5613 13.5613 13.8779 13.8779 13.9914 13.9914 14.7304 14.7304 14.8113 14.8113 16.7302 16.7302 18.3426 18.3426 19.1147 19.1147 k = 0.3579 0.5948 0.2357 ( 1711 PWs) bands (ev): 4.4325 4.4325 5.4713 5.4713 7.4941 7.4941 8.7565 8.7565 9.6190 9.6190 10.3564 10.3564 10.5431 10.5431 10.9981 10.9981 11.1681 11.1681 11.4482 11.4482 11.4931 11.4931 11.5910 11.5910 11.7782 11.7782 12.2215 12.2215 12.6718 12.6718 12.7944 12.7944 13.0105 13.0105 13.1375 13.1375 13.2524 13.2524 13.4747 13.4747 13.5422 13.5422 13.8800 13.8800 13.9972 13.9972 14.7257 14.7257 14.8612 14.8612 16.8136 16.8136 18.3206 18.3206 19.0684 19.0684 k = 0.3544 0.5891 0.2469 ( 1709 PWs) bands (ev): 4.4182 4.4182 5.4397 5.4397 7.4882 7.4882 8.8352 8.8352 9.5886 9.5886 10.3599 10.3599 10.5642 10.5642 11.0081 11.0081 11.1776 11.1776 11.4286 11.4286 11.4774 11.4774 11.5846 11.5846 11.7579 11.7579 12.2188 12.2188 12.6792 12.6792 12.7939 12.7939 13.0225 13.0225 13.1634 13.1634 13.2825 13.2825 13.4685 13.4685 13.5271 13.5271 13.8821 13.8821 14.0019 14.0019 14.7127 14.7127 14.9147 14.9147 16.9019 16.9019 18.3117 18.3117 19.0217 19.0217 k = 0.3510 0.5833 0.2581 ( 1711 PWs) bands (ev): 4.4050 4.4050 5.4093 5.4093 7.4832 7.4832 8.9139 8.9139 9.5571 9.5571 10.3629 10.3629 10.5842 10.5842 11.0182 11.0182 11.1838 11.1838 11.4063 11.4063 11.4649 11.4649 11.5806 11.5806 11.7374 11.7374 12.2136 12.2136 12.6880 12.6880 12.7942 12.7942 13.0333 13.0333 13.1884 13.1884 13.3118 13.3118 13.4576 13.4576 13.5171 13.5171 13.8841 13.8841 14.0055 14.0055 14.6924 14.6924 14.9715 14.9715 16.9946 16.9946 18.3161 18.3161 18.9746 18.9746 k = 0.3475 0.5775 0.2693 ( 1707 PWs) bands (ev): 4.3930 4.3930 5.3801 5.3801 7.4793 7.4793 8.9925 8.9925 9.5244 9.5244 10.3654 10.3654 10.6033 10.6033 11.0289 11.0289 11.1871 11.1871 11.3825 11.3825 11.4547 11.4547 11.5791 11.5791 11.7169 11.7169 12.2062 12.2062 12.6983 12.6983 12.7952 12.7952 13.0431 13.0431 13.2119 13.2119 13.3402 13.3402 13.4432 13.4432 13.5116 13.5116 13.8862 13.8862 14.0079 14.0079 14.6659 14.6659 15.0316 15.0316 17.0914 17.0914 18.3336 18.3336 18.9270 18.9270 k = 0.3440 0.5717 0.2805 ( 1706 PWs) bands (ev): 4.3823 4.3823 5.3521 5.3521 7.4765 7.4765 9.0704 9.0704 9.4902 9.4902 10.3675 10.3675 10.6213 10.6213 11.0399 11.0399 11.1878 11.1878 11.3579 11.3579 11.4459 11.4459 11.5799 11.5799 11.6965 11.6965 12.1968 12.1968 12.7095 12.7095 12.7970 12.7970 13.0515 13.0515 13.2336 13.2336 13.3668 13.3668 13.4276 13.4276 13.5088 13.5088 13.8882 13.8882 14.0091 14.0091 14.6344 14.6344 15.0949 15.0949 17.1917 17.1917 18.3639 18.3639 18.8790 18.8790 k = 0.3405 0.5659 0.2918 ( 1706 PWs) bands (ev): 4.3730 4.3730 5.3253 5.3253 7.4749 7.4749 9.1477 9.1477 9.4544 9.4544 10.3690 10.3690 10.6381 10.6381 11.0513 11.0513 11.1865 11.1865 11.3328 11.3328 11.4380 11.4380 11.5826 11.5826 11.6760 11.6760 12.1856 12.1856 12.7212 12.7212 12.7996 12.7996 13.0586 13.0586 13.2528 13.2528 13.3876 13.3876 13.4163 13.4163 13.5079 13.5079 13.8902 13.8902 14.0092 14.0092 14.5990 14.5990 15.1615 15.1615 17.2946 17.2946 18.4068 18.4068 18.8304 18.8304 k = 0.3370 0.5601 0.3030 ( 1702 PWs) bands (ev): 4.3651 4.3651 5.2997 5.2997 7.4747 7.4747 9.2240 9.2240 9.4171 9.4171 10.3701 10.3701 10.6539 10.6539 11.0630 11.0630 11.1837 11.1837 11.3077 11.3077 11.4310 11.4310 11.5871 11.5871 11.6558 11.6558 12.1728 12.1728 12.7329 12.7329 12.8031 12.8031 13.0643 13.0643 13.2689 13.2689 13.3854 13.3854 13.4276 13.4276 13.5088 13.5088 13.8923 13.8923 14.0081 14.0081 14.5607 14.5607 15.2315 15.2315 17.3995 17.3995 18.4619 18.4619 18.7815 18.7815 k = 0.3335 0.5543 0.3142 ( 1706 PWs) bands (ev): 4.3588 4.3588 5.2751 5.2751 7.4758 7.4758 9.2988 9.2988 9.3784 9.3784 10.3706 10.3706 10.6685 10.6685 11.0747 11.0747 11.1800 11.1800 11.2825 11.2825 11.4246 11.4246 11.5928 11.5928 11.6356 11.6356 12.1584 12.1584 12.7443 12.7443 12.8073 12.8073 13.0683 13.0683 13.2812 13.2812 13.3717 13.3717 13.4499 13.4499 13.5119 13.5119 13.8943 13.8943 14.0059 14.0059 14.5209 14.5209 15.3048 15.3048 17.5055 17.5055 18.5286 18.5286 18.7321 18.7321 k = 0.3301 0.5486 0.3254 ( 1704 PWs) bands (ev): 4.3540 4.3540 5.2516 5.2516 7.4785 7.4785 9.3336 9.3336 9.3764 9.3764 10.3708 10.3708 10.6821 10.6821 11.0862 11.0862 11.1761 11.1761 11.2575 11.2575 11.4190 11.4190 11.5993 11.5993 11.6161 11.6161 12.1426 12.1426 12.7549 12.7549 12.8122 12.8122 13.0707 13.0707 13.2895 13.2895 13.3574 13.3574 13.4729 13.4729 13.5175 13.5175 13.8964 13.8964 14.0025 14.0025 14.4807 14.4807 15.3815 15.3815 17.6118 17.6118 18.6056 18.6056 18.6832 18.6832 k = 0.3266 0.5428 0.3367 ( 1706 PWs) bands (ev): 4.3508 4.3508 5.2291 5.2291 7.4826 7.4826 9.2917 9.2917 9.4476 9.4476 10.3704 10.3704 10.6947 10.6947 11.0970 11.0970 11.1729 11.1729 11.2328 11.2328 11.4141 11.4141 11.5939 11.5939 11.6094 11.6094 12.1255 12.1255 12.7645 12.7645 12.8175 12.8175 13.0715 13.0715 13.2936 13.2936 13.3439 13.3439 13.4950 13.4950 13.5261 13.5261 13.8985 13.8985 13.9978 13.9978 14.4408 14.4408 15.4615 15.4615 17.7177 17.7177 18.6281 18.6281 18.6991 18.6991 k = 0.3231 0.5370 0.3479 ( 1700 PWs) bands (ev): 4.3493 4.3493 5.2076 5.2076 7.4883 7.4883 9.2461 9.2461 9.5187 9.5187 10.3697 10.3697 10.7066 10.7066 11.1062 11.1062 11.1713 11.1713 11.2086 11.2086 11.4099 11.4099 11.5749 11.5749 11.6176 11.6176 12.1070 12.1070 12.7730 12.7730 12.8229 12.8229 13.0711 13.0711 13.2942 13.2942 13.3315 13.3315 13.5159 13.5159 13.5377 13.5377 13.9007 13.9007 13.9919 13.9919 14.4022 14.4022 15.5446 15.5446 17.8228 17.8228 18.5783 18.5783 18.7967 18.7967 k = 0.3196 0.5312 0.3591 ( 1700 PWs) bands (ev): 4.3496 4.3496 5.1869 5.1869 7.4957 7.4957 9.1982 9.1982 9.5882 9.5882 10.3686 10.3686 10.7178 10.7178 11.1126 11.1126 11.1713 11.1713 11.1858 11.1858 11.4063 11.4063 11.5555 11.5555 11.6269 11.6269 12.0872 12.0872 12.7802 12.7802 12.8280 12.8280 13.0691 13.0691 13.2917 13.2917 13.3205 13.3205 13.5354 13.5354 13.5521 13.5521 13.9029 13.9029 13.9848 13.9848 14.3654 14.3654 15.6308 15.6308 17.9266 17.9266 18.5268 18.5268 18.9050 18.9050 k = 0.3161 0.5254 0.3703 ( 1699 PWs) bands (ev): 4.3515 4.3515 5.1669 5.1669 7.5047 7.5047 9.1480 9.1480 9.6558 9.6558 10.3672 10.3672 10.7284 10.7284 11.1159 11.1159 11.1582 11.1582 11.1798 11.1798 11.4033 11.4033 11.5363 11.5363 11.6370 11.6370 12.0661 12.0661 12.7860 12.7860 12.8325 12.8325 13.0661 13.0661 13.2869 13.2869 13.3113 13.3113 13.5533 13.5533 13.5687 13.5687 13.9051 13.9051 13.9764 13.9764 14.3307 14.3307 15.7199 15.7199 18.0289 18.0289 18.4746 18.4746 19.0219 19.0219 k = 0.3127 0.5196 0.3815 ( 1697 PWs) bands (ev): 4.3552 4.3552 5.1476 5.1476 7.5155 7.5155 9.0954 9.0954 9.7215 9.7215 10.3654 10.3654 10.7385 10.7385 11.1165 11.1165 11.1352 11.1352 11.1871 11.1871 11.4008 11.4008 11.5174 11.5174 11.6476 11.6476 12.0438 12.0438 12.7904 12.7904 12.8363 12.8363 13.0624 13.0624 13.2800 13.2800 13.3048 13.3048 13.5702 13.5702 13.5865 13.5865 13.9074 13.9074 13.9667 13.9667 14.2986 14.2986 15.8118 15.8118 18.1294 18.1294 18.4219 18.4219 19.1463 19.1463 k = 0.3092 0.5138 0.3928 ( 1696 PWs) bands (ev): 4.3607 4.3607 5.1290 5.1290 7.5280 7.5280 9.0407 9.0407 9.7849 9.7849 10.3633 10.3633 10.7483 10.7483 11.1116 11.1116 11.1158 11.1158 11.1969 11.1969 11.3989 11.3989 11.4987 11.4987 11.6586 11.6586 12.0204 12.0204 12.7930 12.7930 12.8394 12.8394 13.0582 13.0582 13.2711 13.2711 13.3015 13.3015 13.5865 13.5865 13.6045 13.6045 13.9094 13.9094 13.9558 13.9558 14.2692 14.2692 15.9060 15.9060 18.2283 18.2283 18.3688 18.3688 19.2771 19.2771 k = 0.3057 0.5081 0.4040 ( 1690 PWs) bands (ev): 4.3681 4.3681 5.1107 5.1107 7.5424 7.5424 8.9839 8.9839 9.8461 9.8461 10.3611 10.3611 10.7579 10.7579 11.0889 11.0889 11.1142 11.1142 11.2079 11.2079 11.3973 11.3973 11.4805 11.4805 11.6700 11.6700 11.9961 11.9961 12.7939 12.7939 12.8423 12.8423 13.0538 13.0538 13.2607 13.2607 13.3016 13.3016 13.6024 13.6024 13.6223 13.6223 13.9112 13.9112 13.9440 13.9440 14.2423 14.2423 16.0024 16.0024 18.3096 18.3096 18.3312 18.3312 19.4130 19.4130 k = 0.3022 0.5023 0.4152 ( 1692 PWs) bands (ev): 4.3773 4.3773 5.0928 5.0928 7.5585 7.5585 8.9250 8.9250 9.9047 9.9047 10.3587 10.3587 10.7672 10.7672 11.0662 11.0662 11.1129 11.1129 11.2192 11.2192 11.3960 11.3960 11.4626 11.4626 11.6814 11.6814 11.9711 11.9711 12.7925 12.7925 12.8452 12.8452 13.0494 13.0494 13.2493 13.2493 13.3047 13.3047 13.6175 13.6175 13.6395 13.6395 13.9112 13.9112 13.9325 13.9325 14.2179 14.2179 16.1007 16.1007 18.2597 18.2597 18.4232 18.4232 19.5530 19.5530 k = 0.2987 0.4965 0.4264 ( 1693 PWs) bands (ev): 4.3883 4.3883 5.0750 5.0750 7.5765 7.5765 8.8645 8.8645 9.9606 9.9606 10.3562 10.3562 10.7764 10.7764 11.0440 11.0440 11.1123 11.1123 11.2306 11.2306 11.3948 11.3948 11.4448 11.4448 11.6928 11.6928 11.9457 11.9457 12.7894 12.7894 12.8483 12.8483 13.0452 13.0452 13.2371 13.2371 13.3105 13.3105 13.6320 13.6320 13.6560 13.6560 13.9049 13.9049 13.9262 13.9262 14.1961 14.1961 16.2006 16.2006 18.2054 18.2054 18.5179 18.5179 19.6957 19.6957 k = 0.2953 0.4907 0.4376 ( 1691 PWs) bands (ev): 4.4012 4.4012 5.0572 5.0572 7.5963 7.5963 8.8024 8.8024 10.0138 10.0138 10.3538 10.3538 10.7855 10.7855 11.0224 11.0224 11.1126 11.1126 11.2417 11.2417 11.3936 11.3936 11.4275 11.4275 11.7040 11.7040 11.9204 11.9204 12.7849 12.7849 12.8516 12.8516 13.0414 13.0414 13.2245 13.2245 13.3189 13.3189 13.6455 13.6455 13.6718 13.6718 13.8913 13.8913 13.9263 13.9263 14.1764 14.1764 16.3015 16.3015 18.1506 18.1506 18.6117 18.6117 19.8401 19.8401 k = 0.2918 0.4849 0.4489 ( 1690 PWs) bands (ev): 4.4159 4.4159 5.0393 5.0393 7.6181 7.6181 8.7391 8.7391 10.0639 10.0639 10.3514 10.3514 10.7945 10.7945 11.0015 11.0015 11.1139 11.1139 11.2524 11.2524 11.3922 11.3922 11.4105 11.4105 11.7148 11.7148 11.8954 11.8954 12.7800 12.7800 12.8549 12.8549 13.0381 13.0381 13.2114 13.2114 13.3295 13.3295 13.6578 13.6578 13.6866 13.6866 13.8746 13.8746 13.9288 13.9288 14.1587 14.1587 16.4032 16.4032 18.0955 18.0955 18.7044 18.7044 19.9848 19.9848 k = 0.2883 0.4791 0.4601 ( 1694 PWs) bands (ev): 4.4325 4.4325 5.0210 5.0210 7.6417 7.6417 8.6749 8.6749 10.1107 10.1107 10.3492 10.3492 10.8031 10.8031 10.9813 10.9813 11.1164 11.1164 11.2626 11.2626 11.3898 11.3898 11.3943 11.3943 11.7250 11.7250 11.8712 11.8712 12.7752 12.7752 12.8578 12.8578 13.0354 13.0354 13.1979 13.1979 13.3421 13.3421 13.6686 13.6686 13.7004 13.7004 13.8567 13.8567 13.9323 13.9323 14.1426 14.1426 16.5050 16.5050 18.0403 18.0403 18.7962 18.7962 20.1286 20.1286 k = 0.2848 0.4733 0.4713 ( 1696 PWs) bands (ev): 4.4510 4.4510 5.0022 5.0022 7.6672 7.6672 8.6102 8.6102 10.1540 10.1540 10.3471 10.3471 10.8116 10.8116 10.9620 10.9620 11.1202 11.1202 11.2723 11.2723 11.3766 11.3766 11.3887 11.3887 11.7344 11.7344 11.8484 11.8484 12.7708 12.7708 12.8604 12.8604 13.0333 13.0333 13.1841 13.1841 13.3565 13.3565 13.6774 13.6774 13.7130 13.7130 13.8386 13.8386 13.9364 13.9364 14.1280 14.1280 16.6065 16.6065 17.9849 17.9849 18.8871 18.8871 20.2702 20.2702 k = 0.2813 0.4676 0.4825 ( 1694 PWs) bands (ev): 4.4714 4.4714 4.9827 4.9827 7.6946 7.6946 8.5454 8.5454 10.1937 10.1937 10.3454 10.3454 10.8198 10.8198 10.9440 10.9440 11.1254 11.1254 11.2814 11.2814 11.3604 11.3604 11.3857 11.3857 11.7429 11.7429 11.8274 11.8274 12.7675 12.7675 12.8623 12.8623 13.0322 13.0322 13.1702 13.1702 13.3724 13.3724 13.6837 13.6837 13.7244 13.7244 13.8211 13.8211 13.9413 13.9413 14.1145 14.1145 16.7071 16.7071 17.9296 17.9296 18.9770 18.9770 20.4080 20.4080 k = 0.2778 0.4618 0.4938 ( 1694 PWs) bands (ev): 4.4936 4.4936 4.9622 4.9622 7.7239 7.7239 8.4808 8.4808 10.2294 10.2294 10.3440 10.3440 10.8276 10.8276 10.9274 10.9274 11.1321 11.1321 11.2899 11.2899 11.3445 11.3445 11.3820 11.3820 11.7501 11.7501 11.8088 11.8088 12.7657 12.7657 12.8634 12.8634 13.0318 13.0318 13.1562 13.1562 13.3896 13.3896 13.6864 13.6864 13.7345 13.7345 13.8054 13.8054 13.9469 13.9469 14.1020 14.1020 16.8061 16.8061 17.8743 17.8743 19.0660 19.0660 20.5123 20.5123 k = 0.2744 0.4560 0.5050 ( 1694 PWs) bands (ev): 4.5177 4.5177 4.9406 4.9406 7.7552 7.7552 8.4169 8.4169 10.2607 10.2607 10.3430 10.3430 10.8349 10.8349 10.9124 10.9124 11.1402 11.1402 11.2977 11.2977 11.3286 11.3286 11.3775 11.3775 11.7557 11.7557 11.7932 11.7932 12.7655 12.7655 12.8633 12.8633 13.0323 13.0323 13.1424 13.1424 13.4078 13.4078 13.6842 13.6842 13.7432 13.7432 13.7929 13.7929 13.9532 13.9532 14.0902 14.0902 16.9029 16.9029 17.8192 17.8192 19.1540 19.1540 20.4035 20.4035 k = 0.2709 0.4502 0.5162 ( 1698 PWs) bands (ev): 4.5436 4.5436 4.9175 4.9175 7.7883 7.7883 8.3541 8.3541 10.2875 10.2875 10.3426 10.3426 10.8416 10.8416 10.8990 10.8990 11.1496 11.1496 11.3046 11.3046 11.3132 11.3132 11.3722 11.3722 11.7590 11.7590 11.7813 11.7813 12.7672 12.7672 12.8620 12.8620 13.0337 13.0337 13.1288 13.1288 13.4270 13.4270 13.6762 13.6762 13.7506 13.7506 13.7846 13.7846 13.9601 13.9601 14.0788 14.0788 16.9966 16.9966 17.7643 17.7643 19.2410 19.2410 20.2953 20.2953 k = 0.2674 0.4444 0.5274 ( 1698 PWs) bands (ev): 4.5713 4.5713 4.8928 4.8928 7.8233 7.8233 8.2929 8.2929 10.3094 10.3094 10.3429 10.3429 10.8475 10.8475 10.8878 10.8878 11.1604 11.1604 11.2975 11.2975 11.3114 11.3114 11.3661 11.3661 11.7588 11.7588 11.7743 11.7743 12.7709 12.7709 12.8590 12.8590 13.0363 13.0363 13.1157 13.1157 13.4471 13.4471 13.6626 13.6626 13.7567 13.7567 13.7800 13.7800 13.9679 13.9679 14.0680 14.0680 17.0864 17.0864 17.7097 17.7097 19.3269 19.3269 20.1905 20.1905 k = 0.2639 0.4386 0.5386 ( 1698 PWs) bands (ev): 4.6009 4.6009 4.8663 4.8663 7.8601 7.8601 8.2337 8.2337 10.3260 10.3260 10.3441 10.3441 10.8527 10.8527 10.8787 10.8787 11.1725 11.1725 11.2826 11.2826 11.3171 11.3171 11.3595 11.3595 11.7557 11.7557 11.7719 11.7719 12.7765 12.7765 12.8544 12.8544 13.0399 13.0399 13.1034 13.1034 13.4679 13.4679 13.6450 13.6450 13.7619 13.7619 13.7781 13.7781 13.9761 13.9761 14.0574 14.0574 17.1713 17.1713 17.6556 17.6556 19.4116 19.4116 20.0895 20.0895 k = 0.2604 0.4328 0.5499 ( 1698 PWs) bands (ev): 4.6323 4.6323 4.8376 4.8376 7.8989 7.8989 8.1770 8.1770 10.3367 10.3367 10.3469 10.3469 10.8570 10.8570 10.8719 10.8719 11.1855 11.1855 11.2679 11.2679 11.3222 11.3222 11.3528 11.3528 11.7531 11.7531 11.7704 11.7704 12.7840 12.7840 12.8479 12.8479 13.0444 13.0444 13.0920 13.0920 13.4892 13.4892 13.6248 13.6248 13.7662 13.7662 13.7772 13.7772 13.9849 13.9849 14.0471 14.0471 17.2506 17.2506 17.6020 17.6020 19.4951 19.4951 19.9929 19.9929 k = 0.2570 0.4271 0.5611 ( 1702 PWs) bands (ev): 4.6654 4.6654 4.8067 4.8067 7.9394 7.9394 8.1231 8.1231 10.3423 10.3423 10.3505 10.3505 10.8603 10.8603 10.8672 10.8672 11.1992 11.1992 11.2535 11.2535 11.3267 11.3267 11.3462 11.3462 11.7527 11.7527 11.7681 11.7681 12.7932 12.7932 12.8394 12.8394 13.0499 13.0499 13.0816 13.0816 13.5111 13.5111 13.6030 13.6030 13.7698 13.7698 13.7765 13.7765 13.9941 13.9941 14.0370 14.0370 17.3231 17.3231 17.5489 17.5489 19.5770 19.5770 19.9012 19.9012 k = 0.2535 0.4213 0.5723 ( 1704 PWs) bands (ev): 4.7004 4.7004 4.7732 4.7732 7.9817 7.9817 8.0725 8.0725 10.3461 10.3461 10.3519 10.3519 10.8625 10.8625 10.8644 10.8644 11.2132 11.2132 11.2395 11.2395 11.3308 11.3308 11.3404 11.3404 11.7548 11.7548 11.7643 11.7643 12.8042 12.8042 12.8288 12.8288 13.0563 13.0563 13.0722 13.0722 13.5334 13.5334 13.5804 13.5804 13.7725 13.7725 13.7755 13.7755 14.0034 14.0034 14.0272 14.0272 17.3879 17.3879 17.4965 17.4965 19.6571 19.6571 19.8150 19.8150 k = 0.2500 0.4155 0.5835 ( 1708 PWs) bands (ev): 4.7370 4.7370 4.7371 4.7371 8.0255 8.0255 8.0259 8.0259 10.3489 10.3489 10.3506 10.3506 10.8629 10.8629 10.8639 10.8639 11.2259 11.2259 11.2269 11.2269 11.3334 11.3334 11.3371 11.3371 11.7587 11.7587 11.7598 11.7598 12.8164 12.8164 12.8169 12.8169 13.0627 13.0627 13.0647 13.0647 13.5549 13.5549 13.5588 13.5588 13.7736 13.7736 13.7749 13.7749 14.0129 14.0129 14.0176 14.0176 17.4436 17.4436 17.4450 17.4450 19.7350 19.7350 19.7351 19.7351 k = 0.2500 0.4155 0.5835 ( 1708 PWs) bands (ev): 4.7370 4.7370 4.7371 4.7371 8.0255 8.0255 8.0259 8.0259 10.3489 10.3489 10.3506 10.3506 10.8629 10.8629 10.8639 10.8639 11.2259 11.2259 11.2269 11.2269 11.3334 11.3334 11.3371 11.3371 11.7587 11.7587 11.7598 11.7598 12.8164 12.8164 12.8169 12.8169 13.0627 13.0627 13.0647 13.0647 13.5549 13.5549 13.5588 13.5588 13.7736 13.7736 13.7749 13.7749 14.0129 14.0129 14.0176 14.0176 17.4436 17.4436 17.4450 17.4450 19.7350 19.7350 19.7351 19.7351 k = 0.2422 0.4202 0.5744 ( 1704 PWs) bands (ev): 4.7363 4.7363 4.7364 4.7364 8.0272 8.0272 8.0276 8.0276 10.3479 10.3479 10.3496 10.3496 10.8634 10.8634 10.8649 10.8649 11.2252 11.2252 11.2266 11.2266 11.3340 11.3340 11.3384 11.3384 11.7582 11.7582 11.7603 11.7603 12.8159 12.8159 12.8169 12.8169 13.0633 13.0633 13.0656 13.0656 13.5549 13.5549 13.5589 13.5589 13.7725 13.7725 13.7751 13.7751 14.0128 14.0128 14.0176 14.0176 17.4401 17.4401 17.4421 17.4421 19.7359 19.7359 19.7368 19.7368 k = 0.2344 0.4249 0.5653 ( 1702 PWs) bands (ev): 4.7343 4.7343 4.7345 4.7345 8.0322 8.0322 8.0325 8.0325 10.3447 10.3447 10.3464 10.3464 10.8651 10.8651 10.8676 10.8676 11.2233 11.2233 11.2254 11.2254 11.3361 11.3361 11.3418 11.3418 11.7573 11.7573 11.7610 11.7610 12.8151 12.8151 12.8168 12.8168 13.0648 13.0648 13.0677 13.0677 13.5550 13.5550 13.5590 13.5590 13.7702 13.7702 13.7749 13.7749 14.0125 14.0125 14.0174 14.0174 17.4297 17.4297 17.4330 17.4330 19.7394 19.7394 19.7411 19.7411 k = 0.2266 0.4296 0.5562 ( 1702 PWs) bands (ev): 4.7310 4.7310 4.7312 4.7312 8.0404 8.0404 8.0408 8.0408 10.3394 10.3394 10.3411 10.3411 10.8682 10.8682 10.8718 10.8718 11.2206 11.2206 11.2233 11.2233 11.3396 11.3396 11.3468 11.3468 11.7562 11.7562 11.7616 11.7616 12.8140 12.8140 12.8163 12.8163 13.0674 13.0674 13.0711 13.0711 13.5551 13.5551 13.5591 13.5591 13.7669 13.7669 13.7738 13.7738 14.0121 14.0121 14.0170 14.0170 17.4128 17.4128 17.4176 17.4176 19.7454 19.7454 19.7479 19.7479 k = 0.2188 0.4343 0.5471 ( 1698 PWs) bands (ev): 4.7265 4.7265 4.7266 4.7266 8.0519 8.0519 8.0522 8.0522 10.3321 10.3321 10.3339 10.3339 10.8726 10.8726 10.8771 10.8771 11.2175 11.2175 11.2206 11.2206 11.3446 11.3446 11.3531 11.3531 11.7552 11.7552 11.7622 11.7622 12.8128 12.8128 12.8155 12.8155 13.0713 13.0713 13.0755 13.0755 13.5553 13.5553 13.5593 13.5593 13.7627 13.7627 13.7719 13.7719 14.0114 14.0114 14.0165 14.0165 17.3898 17.3898 17.3960 17.3960 19.7537 19.7537 19.7571 19.7571 k = 0.2109 0.4390 0.5379 ( 1694 PWs) bands (ev): 4.7207 4.7207 4.7209 4.7209 8.0664 8.0664 8.0668 8.0668 10.3230 10.3230 10.3248 10.3248 10.8783 10.8783 10.8837 10.8837 11.2142 11.2142 11.2175 11.2175 11.3507 11.3507 11.3604 11.3604 11.7541 11.7541 11.7626 11.7626 12.8114 12.8114 12.8143 12.8143 13.0762 13.0762 13.0809 13.0809 13.5555 13.5555 13.5596 13.5596 13.7576 13.7576 13.7691 13.7691 14.0107 14.0107 14.0160 14.0160 17.3609 17.3609 17.3685 17.3685 19.7642 19.7642 19.7684 19.7684 k = 0.2031 0.4437 0.5288 ( 1692 PWs) bands (ev): 4.7139 4.7139 4.7141 4.7141 8.0840 8.0840 8.0843 8.0843 10.3122 10.3122 10.3140 10.3140 10.8848 10.8848 10.8911 10.8911 11.2108 11.2108 11.2143 11.2143 11.3577 11.3577 11.3683 11.3683 11.7531 11.7531 11.7629 11.7629 12.8101 12.8101 12.8129 12.8129 13.0822 13.0822 13.0872 13.0872 13.5559 13.5559 13.5599 13.5599 13.7517 13.7517 13.7654 13.7654 14.0098 14.0098 14.0153 14.0153 17.3263 17.3263 17.3354 17.3354 19.7767 19.7767 19.7816 19.7816 k = 0.1953 0.4484 0.5197 ( 1690 PWs) bands (ev): 4.7060 4.7060 4.7062 4.7062 8.1043 8.1043 8.1047 8.1047 10.2999 10.2999 10.3016 10.3016 10.8922 10.8922 10.8993 10.8993 11.2076 11.2076 11.2109 11.2109 11.3654 11.3654 11.3767 11.3767 11.7521 11.7521 11.7632 11.7632 12.8089 12.8089 12.8114 12.8114 13.0891 13.0891 13.0942 13.0942 13.5564 13.5564 13.5604 13.5604 13.7449 13.7449 13.7609 13.7609 14.0088 14.0088 14.0146 14.0146 17.2866 17.2866 17.2971 17.2971 19.7909 19.7909 19.7966 19.7966 k = 0.1875 0.4531 0.5106 ( 1690 PWs) bands (ev): 4.6972 4.6972 4.6974 4.6974 8.1274 8.1274 8.1277 8.1277 10.2860 10.2860 10.2877 10.2877 10.9003 10.9003 10.9080 10.9080 11.2045 11.2045 11.2078 11.2078 11.3735 11.3735 11.3853 11.3853 11.7513 11.7513 11.7634 11.7634 12.8078 12.8078 12.8097 12.8097 13.0968 13.0968 13.1020 13.1020 13.5570 13.5570 13.5610 13.5610 13.7374 13.7374 13.7557 13.7557 14.0077 14.0077 14.0138 14.0138 17.2419 17.2419 17.2538 17.2538 19.8065 19.8065 19.8130 19.8130 k = 0.1797 0.4578 0.5015 ( 1688 PWs) bands (ev): 4.6875 4.6875 4.6878 4.6878 8.1529 8.1529 8.1532 8.1532 10.2710 10.2710 10.2726 10.2726 10.9090 10.9090 10.9171 10.9171 11.2019 11.2019 11.2051 11.2051 11.3819 11.3819 11.3940 11.3940 11.7507 11.7507 11.7635 11.7635 12.8068 12.8068 12.8080 12.8080 13.1054 13.1054 13.1105 13.1105 13.5579 13.5579 13.5617 13.5617 13.7290 13.7290 13.7496 13.7496 14.0065 14.0065 14.0129 14.0129 17.1929 17.1929 17.2062 17.2062 19.8234 19.8234 19.8305 19.8305 k = 0.1719 0.4625 0.4924 ( 1694 PWs) bands (ev): 4.6772 4.6772 4.6775 4.6775 8.1807 8.1807 8.1811 8.1811 10.2547 10.2547 10.2563 10.2563 10.9179 10.9179 10.9264 10.9264 11.1996 11.1996 11.2026 11.2026 11.3903 11.3903 11.4026 11.4026 11.7503 11.7503 11.7638 11.7638 12.8058 12.8058 12.8064 12.8064 13.1147 13.1147 13.1195 13.1195 13.5589 13.5589 13.5625 13.5625 13.7199 13.7199 13.7428 13.7428 14.0052 14.0052 14.0120 14.0120 17.1400 17.1400 17.1545 17.1545 19.8411 19.8411 19.8489 19.8489 k = 0.1641 0.4672 0.4832 ( 1690 PWs) bands (ev): 4.6663 4.6663 4.6666 4.6666 8.2106 8.2106 8.2110 8.2110 10.2375 10.2375 10.2390 10.2390 10.9272 10.9272 10.9359 10.9359 11.1978 11.1978 11.2008 11.2008 11.3986 11.3986 11.4108 11.4108 11.7504 11.7504 11.7643 11.7643 12.8044 12.8044 12.8054 12.8054 13.1247 13.1247 13.1294 13.1294 13.5602 13.5602 13.5637 13.5637 13.7104 13.7104 13.7355 13.7355 14.0040 14.0040 14.0112 14.0112 17.0836 17.0836 17.0994 17.0994 19.8595 19.8595 19.8680 19.8680 k = 0.1562 0.4719 0.4741 ( 1688 PWs) bands (ev): 4.6549 4.6549 4.6552 4.6552 8.2424 8.2424 8.2428 8.2428 10.2193 10.2193 10.2208 10.2208 10.9366 10.9366 10.9454 10.9454 11.1965 11.1965 11.1995 11.1995 11.4066 11.4066 11.4186 11.4186 11.7510 11.7510 11.7650 11.7650 12.8027 12.8027 12.8048 12.8048 13.1352 13.1352 13.1398 13.1398 13.5617 13.5617 13.5650 13.5650 13.7003 13.7003 13.7276 13.7276 14.0027 14.0027 14.0103 14.0103 17.0243 17.0243 17.0413 17.0413 19.8783 19.8783 19.8874 19.8874 k = 0.1484 0.4766 0.4650 ( 1688 PWs) bands (ev): 4.6432 4.6432 4.6435 4.6435 8.2758 8.2758 8.2762 8.2762 10.2003 10.2003 10.2017 10.2017 10.9459 10.9459 10.9548 10.9548 11.1958 11.1958 11.1987 11.1987 11.4141 11.4141 11.4258 11.4258 11.7522 11.7522 11.7661 11.7661 12.8010 12.8010 12.8041 12.8041 13.1463 13.1463 13.1510 13.1510 13.5633 13.5633 13.5664 13.5664 13.6898 13.6898 13.7192 13.7192 14.0014 14.0014 14.0095 14.0095 16.9627 16.9627 16.9808 16.9808 19.8972 19.8972 19.9069 19.9069 k = 0.1406 0.4813 0.4559 ( 1686 PWs) bands (ev): 4.6313 4.6313 4.6316 4.6316 8.3105 8.3105 8.3110 8.3110 10.1806 10.1806 10.1820 10.1820 10.9552 10.9552 10.9640 10.9640 11.1955 11.1955 11.1985 11.1985 11.4209 11.4209 11.4321 11.4321 11.7541 11.7541 11.7678 11.7678 12.7992 12.7992 12.8034 12.8034 13.1580 13.1580 13.1629 13.1629 13.5651 13.5651 13.5680 13.5680 13.6792 13.6792 13.7105 13.7105 14.0001 14.0001 14.0086 14.0086 16.8992 16.8992 16.9183 16.9183 19.9161 19.9161 19.9264 19.9264 k = 0.1328 0.4860 0.4468 ( 1690 PWs) bands (ev): 4.6193 4.6193 4.6196 4.6196 8.3463 8.3463 8.3468 8.3468 10.1603 10.1603 10.1617 10.1617 10.9643 10.9643 10.9729 10.9729 11.1957 11.1957 11.1987 11.1987 11.4268 11.4268 11.4375 11.4375 11.7567 11.7567 11.7700 11.7700 12.7973 12.7973 12.8025 12.8025 13.1701 13.1701 13.1754 13.1754 13.5669 13.5669 13.5696 13.5696 13.6685 13.6685 13.7016 13.7016 13.9987 13.9987 14.0077 14.0077 16.8344 16.8344 16.8543 16.8543 19.9348 19.9348 19.9456 19.9456 k = 0.1250 0.4907 0.4376 ( 1688 PWs) bands (ev): 4.6073 4.6073 4.6077 4.6077 8.3829 8.3829 8.3835 8.3835 10.1395 10.1395 10.1410 10.1410 10.9733 10.9733 10.9816 10.9816 11.1964 11.1964 11.1995 11.1995 11.4319 11.4319 11.4419 11.4419 11.7602 11.7602 11.7729 11.7729 12.7955 12.7955 12.8015 12.8015 13.1826 13.1826 13.1888 13.1888 13.5685 13.5685 13.5712 13.5712 13.6583 13.6583 13.6926 13.6926 13.9974 13.9974 14.0068 14.0068 16.7689 16.7689 16.7895 16.7895 19.9529 19.9529 19.9643 19.9643 k = 0.1172 0.4954 0.4285 ( 1690 PWs) bands (ev): 4.5955 4.5955 4.5958 4.5958 8.4201 8.4201 8.4207 8.4207 10.1184 10.1184 10.1199 10.1199 10.9820 10.9820 10.9898 10.9898 11.1975 11.1975 11.2006 11.2006 11.4358 11.4358 11.4451 11.4451 11.7646 11.7646 11.7766 11.7766 12.7936 12.7936 12.8001 12.8001 13.1955 13.1955 13.2029 13.2029 13.5696 13.5696 13.5727 13.5727 13.6488 13.6488 13.6837 13.6837 13.9960 13.9960 14.0059 14.0059 16.7033 16.7033 16.7244 16.7244 19.9705 19.9705 19.9824 19.9824 k = 0.1094 0.5001 0.4194 ( 1692 PWs) bands (ev): 4.5839 4.5839 4.5842 4.5842 8.4574 8.4574 8.4581 8.4581 10.0970 10.0970 10.0985 10.0985 10.9904 10.9904 10.9978 10.9978 11.1989 11.1989 11.2022 11.2022 11.4386 11.4386 11.4471 11.4471 11.7698 11.7698 11.7811 11.7811 12.7915 12.7915 12.7985 12.7985 13.2086 13.2086 13.2177 13.2177 13.5695 13.5695 13.5741 13.5741 13.6407 13.6407 13.6752 13.6752 13.9946 13.9946 14.0049 14.0049 16.6380 16.6380 16.6596 16.6596 19.9872 19.9872 19.9998 19.9998 k = 0.1016 0.5048 0.4103 ( 1690 PWs) bands (ev): 4.5727 4.5727 4.5730 4.5730 8.4948 8.4948 8.4955 8.4955 10.0755 10.0755 10.0770 10.0770 10.9986 10.9986 11.0054 11.0054 11.2007 11.2007 11.2042 11.2042 11.4402 11.4402 11.4480 11.4480 11.7760 11.7760 11.7864 11.7864 12.7892 12.7892 12.7964 12.7964 13.2221 13.2221 13.2333 13.2333 13.5675 13.5675 13.5754 13.5754 13.6347 13.6347 13.6672 13.6672 13.9933 13.9933 14.0039 14.0039 16.5739 16.5739 16.5955 16.5955 20.0031 20.0031 20.0161 20.0161 k = 0.0938 0.5095 0.4012 ( 1692 PWs) bands (ev): 4.5619 4.5619 4.5622 4.5622 8.5317 8.5317 8.5325 8.5325 10.0540 10.0540 10.0556 10.0556 11.0065 11.0065 11.0127 11.0127 11.2027 11.2027 11.2063 11.2063 11.4406 11.4406 11.4478 11.4478 11.7828 11.7828 11.7924 11.7924 12.7868 12.7868 12.7940 12.7940 13.2357 13.2357 13.2493 13.2493 13.5633 13.5633 13.5762 13.5762 13.6310 13.6310 13.6599 13.6599 13.9919 13.9919 14.0028 14.0028 16.5113 16.5113 16.5329 16.5329 20.0178 20.0178 20.0315 20.0315 k = 0.0859 0.5142 0.3921 ( 1692 PWs) bands (ev): 4.5517 4.5517 4.5520 4.5520 8.5678 8.5678 8.5687 8.5687 10.0328 10.0328 10.0345 10.0345 11.0140 11.0140 11.0196 11.0196 11.2048 11.2048 11.2087 11.2087 11.4400 11.4400 11.4466 11.4466 11.7903 11.7903 11.7990 11.7990 12.7842 12.7842 12.7912 12.7912 13.2495 13.2495 13.2658 13.2658 13.5571 13.5571 13.5763 13.5763 13.6298 13.6298 13.6539 13.6539 13.9906 13.9906 14.0016 14.0016 16.4509 16.4509 16.4722 16.4722 20.0314 20.0314 20.0456 20.0456 k = 0.0781 0.5189 0.3829 ( 1696 PWs) bands (ev): 4.5420 4.5420 4.5423 4.5423 8.6029 8.6029 8.6037 8.6037 10.0120 10.0120 10.0137 10.0137 11.0212 11.0212 11.0261 11.0261 11.2071 11.2071 11.2112 11.2112 11.4384 11.4384 11.4445 11.4445 11.7982 11.7982 11.8061 11.8061 12.7814 12.7814 12.7880 12.7880 13.2632 13.2632 13.2824 13.2824 13.5494 13.5494 13.5752 13.5752 13.6304 13.6304 13.6493 13.6493 13.9894 13.9894 14.0004 14.0004 16.3933 16.3933 16.4140 16.4140 20.0437 20.0437 20.0584 20.0584 k = 0.0703 0.5236 0.3738 ( 1700 PWs) bands (ev): 4.5331 4.5331 4.5334 4.5334 8.6364 8.6364 8.6373 8.6373 9.9919 9.9919 9.9935 9.9935 11.0279 11.0279 11.0322 11.0322 11.2093 11.2093 11.2136 11.2136 11.4360 11.4360 11.4416 11.4416 11.8063 11.8063 11.8134 11.8134 12.7784 12.7784 12.7845 12.7845 13.2768 13.2768 13.2989 13.2989 13.5409 13.5409 13.5727 13.5727 13.6324 13.6324 13.6462 13.6462 13.9882 13.9882 13.9991 13.9991 16.3391 16.3391 16.3590 16.3590 20.0546 20.0546 20.0697 20.0697 k = 0.0625 0.5283 0.3647 ( 1702 PWs) bands (ev): 4.5249 4.5249 4.5252 4.5252 8.6681 8.6681 8.6689 8.6689 9.9726 9.9726 9.9743 9.9743 11.0343 11.0343 11.0380 11.0380 11.2116 11.2116 11.2160 11.2160 11.4331 11.4331 11.4383 11.4383 11.8144 11.8144 11.8208 11.8208 12.7755 12.7755 12.7810 12.7810 13.2900 13.2900 13.3149 13.3149 13.5323 13.5323 13.5690 13.5690 13.6352 13.6352 13.6448 13.6448 13.9872 13.9872 13.9978 13.9978 16.2889 16.2889 16.3076 16.3076 20.0640 20.0640 20.0794 20.0794 k = 0.0547 0.5330 0.3556 ( 1700 PWs) bands (ev): 4.5176 4.5176 4.5178 4.5178 8.6975 8.6975 8.6983 8.6983 9.9546 9.9546 9.9562 9.9562 11.0402 11.0402 11.0433 11.0433 11.2139 11.2139 11.2183 11.2183 11.4299 11.4299 11.4346 11.4346 11.8224 11.8224 11.8279 11.8279 12.7726 12.7726 12.7775 12.7775 13.3030 13.3030 13.3301 13.3301 13.5241 13.5241 13.5640 13.5640 13.6385 13.6385 13.6449 13.6449 13.9864 13.9864 13.9964 13.9964 16.2432 16.2432 16.2604 16.2604 20.0719 20.0719 20.0873 20.0873 k = 0.0469 0.5377 0.3465 ( 1698 PWs) bands (ev): 4.5112 4.5112 4.5113 4.5113 8.7242 8.7242 8.7250 8.7250 9.9380 9.9380 9.9396 9.9396 11.0455 11.0455 11.0480 11.0480 11.2160 11.2160 11.2204 11.2204 11.4266 11.4266 11.4309 11.4309 11.8298 11.8298 11.8346 11.8346 12.7699 12.7699 12.7741 12.7741 13.3154 13.3154 13.3440 13.3440 13.5169 13.5169 13.5580 13.5580 13.6419 13.6419 13.6459 13.6459 13.9857 13.9857 13.9949 13.9949 16.2026 16.2026 16.2181 16.2181 20.0783 20.0783 20.0932 20.0932 k = 0.0391 0.5424 0.3374 ( 1696 PWs) bands (ev): 4.5056 4.5056 4.5058 4.5058 8.7478 8.7478 8.7485 8.7485 9.9233 9.9233 9.9248 9.9248 11.0503 11.0503 11.0522 11.0522 11.2180 11.2180 11.2222 11.2222 11.4234 11.4234 11.4272 11.4272 11.8366 11.8366 11.8407 11.8407 12.7673 12.7673 12.7708 12.7708 13.3273 13.3273 13.3559 13.3559 13.5111 13.5111 13.5513 13.5513 13.6451 13.6451 13.6476 13.6476 13.9852 13.9852 13.9934 13.9934 16.1675 16.1675 16.1810 16.1810 20.0832 20.0832 20.0972 20.0972 k = 0.0312 0.5471 0.3282 ( 1692 PWs) bands (ev): 4.5010 4.5010 4.5012 4.5012 8.7678 8.7678 8.7684 8.7684 9.9106 9.9106 9.9121 9.9121 11.0543 11.0543 11.0558 11.0558 11.2198 11.2198 11.2237 11.2237 11.4206 11.4206 11.4239 11.4239 11.8426 11.8426 11.8459 11.8459 12.7652 12.7652 12.7680 12.7680 13.3383 13.3383 13.3653 13.3653 13.5073 13.5073 13.5441 13.5441 13.6480 13.6480 13.6494 13.6494 13.9850 13.9850 13.9920 13.9920 16.1385 16.1385 16.1496 16.1496 20.0869 20.0869 20.0991 20.0991 k = 0.0234 0.5518 0.3191 ( 1696 PWs) bands (ev): 4.4974 4.4974 4.4975 4.4975 8.7838 8.7838 8.7843 8.7843 9.9004 9.9004 9.9018 9.9018 11.0575 11.0575 11.0586 11.0586 11.2212 11.2212 11.2248 11.2248 11.4182 11.4182 11.4210 11.4210 11.8475 11.8475 11.8500 11.8500 12.7634 12.7634 12.7654 12.7654 13.3484 13.3484 13.3715 13.3715 13.5057 13.5057 13.5366 13.5366 13.6504 13.6504 13.6512 13.6512 13.9850 13.9850 13.9905 13.9905 16.1158 16.1158 16.1244 16.1244 20.0897 20.0897 20.0994 20.0994 k = 0.0156 0.5565 0.3100 ( 1696 PWs) bands (ev): 4.4948 4.4948 4.4949 4.4949 8.7955 8.7955 8.7959 8.7959 9.8929 9.8929 9.8942 9.8942 11.0599 11.0599 11.0606 11.0606 11.2224 11.2224 11.2256 11.2256 11.4164 11.4164 11.4187 11.4187 11.8512 11.8512 11.8530 11.8530 12.7621 12.7621 12.7635 12.7635 13.3573 13.3573 13.3744 13.3744 13.5067 13.5067 13.5291 13.5291 13.6521 13.6521 13.6527 13.6527 13.9853 13.9853 13.9891 13.9891 16.0999 16.0999 16.1057 16.1057 20.0918 20.0918 20.0985 20.0985 k = 0.0078 0.5612 0.3009 ( 1696 PWs) bands (ev): 4.4933 4.4933 4.4933 4.4933 8.8027 8.8027 8.8030 8.8030 9.8883 9.8883 9.8895 9.8895 11.0614 11.0614 11.0617 11.0617 11.2231 11.2231 11.2260 11.2260 11.4154 11.4154 11.4172 11.4172 11.8536 11.8536 11.8547 11.8547 12.7614 12.7614 12.7623 12.7623 13.3649 13.3649 13.3739 13.3739 13.5101 13.5101 13.5219 13.5219 13.6532 13.6532 13.6536 13.6536 13.9858 13.9858 13.9880 13.9880 16.0908 16.0908 16.0938 16.0938 20.0936 20.0936 20.0971 20.0971 k = 0.0000 0.5659 0.2918 ( 1694 PWs) bands (ev): 4.4928 4.4928 4.4928 4.4928 8.8052 8.8052 8.8054 8.8054 9.8868 9.8868 9.8880 9.8880 11.0620 11.0620 11.0620 11.0620 11.2233 11.2233 11.2261 11.2261 11.4151 11.4151 11.4168 11.4168 11.8545 11.8545 11.8552 11.8552 12.7613 12.7613 12.7618 12.7618 13.3706 13.3706 13.3706 13.3706 13.5149 13.5149 13.5159 13.5159 13.6536 13.6536 13.6540 13.6540 13.9863 13.9863 13.9873 13.9873 16.0887 16.0887 16.0888 16.0888 20.0952 20.0952 20.0955 20.0955 k = 0.0000 0.5659 0.2918 ( 1694 PWs) bands (ev): 4.4928 4.4928 4.4928 4.4928 8.8052 8.8052 8.8054 8.8054 9.8868 9.8868 9.8880 9.8880 11.0620 11.0620 11.0620 11.0620 11.2233 11.2233 11.2261 11.2261 11.4151 11.4151 11.4168 11.4168 11.8545 11.8545 11.8552 11.8552 12.7613 12.7613 12.7618 12.7618 13.3706 13.3706 13.3706 13.3706 13.5149 13.5149 13.5159 13.5159 13.6536 13.6536 13.6540 13.6540 13.9863 13.9863 13.9873 13.9873 16.0887 16.0887 16.0888 16.0888 20.0952 20.0952 20.0955 20.0955 k =-0.0103 0.5623 0.2987 ( 1694 PWs) bands (ev): 4.4817 4.4817 4.5056 4.5056 8.8002 8.8002 8.8065 8.8065 9.8534 9.8534 9.9231 9.9231 11.0385 11.0385 11.0859 11.0859 11.2207 11.2207 11.2286 11.2286 11.4107 11.4107 11.4219 11.4219 11.8130 11.8130 11.8969 11.8969 12.7518 12.7518 12.7706 12.7706 13.3540 13.3540 13.3861 13.3861 13.5120 13.5120 13.5190 13.5190 13.6334 13.6334 13.6738 13.6738 13.9848 13.9848 13.9891 13.9891 16.0524 16.0524 16.1274 16.1274 19.9773 19.9773 20.0449 20.0449 k =-0.0205 0.5588 0.3057 ( 1696 PWs) bands (ev): 4.4722 4.4722 4.5202 4.5202 8.7917 8.7917 8.8039 8.8039 9.8216 9.8216 9.9598 9.9598 11.0156 11.0156 11.1098 11.1098 11.2168 11.2168 11.2320 11.2320 11.4060 11.4060 11.4284 11.4284 11.7718 11.7718 11.9387 11.9387 12.7418 12.7418 12.7786 12.7786 13.3367 13.3367 13.3998 13.3998 13.5089 13.5089 13.5224 13.5224 13.6136 13.6136 13.6929 13.6929 13.9833 13.9833 13.9916 13.9916 16.0183 16.0183 16.1681 16.1681 19.8444 19.8444 19.9254 19.9254 k =-0.0308 0.5552 0.3126 ( 1698 PWs) bands (ev): 4.4645 4.4645 4.5365 4.5365 8.7799 8.7799 8.7972 8.7972 9.7926 9.7926 9.9971 9.9971 10.9935 10.9935 11.1336 11.1336 11.2126 11.2126 11.2353 11.2353 11.4019 11.4019 11.4356 11.4356 11.7317 11.7317 11.9799 11.9799 12.7316 12.7316 12.7854 12.7854 13.3194 13.3194 13.4110 13.4110 13.5061 13.5061 13.5243 13.5243 13.5964 13.5964 13.7106 13.7106 13.9823 13.9823 13.9942 13.9942 15.9868 15.9868 16.2106 16.2106 19.7089 19.7089 19.8046 19.8046 k =-0.0410 0.5516 0.3196 ( 1699 PWs) bands (ev): 4.4583 4.4583 4.5546 4.5546 8.7651 8.7651 8.7864 8.7864 9.7667 9.7667 10.0342 10.0342 10.9724 10.9724 11.1565 11.1565 11.2082 11.2082 11.2387 11.2387 11.3983 11.3983 11.4436 11.4436 11.6933 11.6933 12.0204 12.0204 12.7214 12.7214 12.7906 12.7906 13.3024 13.3024 13.4189 13.4189 13.5030 13.5030 13.5217 13.5217 13.5859 13.5859 13.7266 13.7266 13.9820 13.9820 13.9969 13.9969 15.9577 15.9577 16.2547 16.2547 19.5730 19.5730 19.6855 19.6855 k =-0.0513 0.5480 0.3265 ( 1703 PWs) bands (ev): 4.4538 4.4538 4.5745 4.5745 8.7473 8.7473 8.7713 8.7713 9.7442 9.7442 10.0704 10.0704 10.9527 10.9527 11.1774 11.1774 11.2041 11.2041 11.2427 11.2427 11.3949 11.3949 11.4525 11.4525 11.6573 11.6573 12.0599 12.0599 12.7116 12.7116 12.7937 12.7937 13.2858 13.2858 13.4231 13.4231 13.4969 13.4969 13.5145 13.5145 13.5854 13.5854 13.7406 13.7406 13.9823 13.9823 13.9997 13.9997 15.9309 15.9309 16.3000 16.3000 19.4383 19.4383 19.5687 19.5687 k =-0.0616 0.5444 0.3334 ( 1703 PWs) bands (ev): 4.4508 4.4508 4.5961 4.5961 8.7268 8.7268 8.7522 8.7522 9.7255 9.7255 10.1053 10.1053 10.9348 10.9348 11.1897 11.1897 11.2049 11.2049 11.2484 11.2484 11.3919 11.3919 11.4623 11.4623 11.6243 11.6243 12.0982 12.0982 12.7021 12.7021 12.7946 12.7946 13.2702 13.2702 13.4233 13.4233 13.4821 13.4821 13.5107 13.5107 13.5931 13.5931 13.7523 13.7523 13.9835 13.9835 14.0027 14.0027 15.9064 15.9064 16.3463 16.3463 19.3061 19.3061 19.4547 19.4547 k =-0.0718 0.5408 0.3404 ( 1701 PWs) bands (ev): 4.4494 4.4494 4.6196 4.6196 8.7037 8.7037 8.7293 8.7293 9.7105 9.7105 10.1381 10.1381 10.9187 10.9187 11.1863 11.1863 11.2145 11.2145 11.2583 11.2583 11.3893 11.3893 11.4729 11.4729 11.5951 11.5951 12.1353 12.1353 12.6933 12.6933 12.7927 12.7927 13.2554 13.2554 13.4194 13.4194 13.4615 13.4615 13.5112 13.5112 13.6052 13.6052 13.7615 13.7615 13.9854 13.9854 14.0059 14.0059 15.8837 15.8837 16.3930 16.3930 19.1778 19.1778 19.3440 19.3440 k =-0.0821 0.5373 0.3473 ( 1702 PWs) bands (ev): 4.4494 4.4494 4.6449 4.6449 8.6780 8.6780 8.7028 8.7028 9.6992 9.6992 10.1681 10.1681 10.9049 10.9049 11.1782 11.1782 11.2199 11.2199 11.2738 11.2738 11.3870 11.3870 11.4843 11.4843 11.5705 11.5705 12.1711 12.1711 12.6850 12.6850 12.7882 12.7882 13.2415 13.2415 13.4107 13.4107 13.4399 13.4399 13.5141 13.5141 13.6194 13.6194 13.7683 13.7683 13.9878 13.9878 14.0094 14.0094 15.8623 15.8623 16.4398 16.4398 19.0546 19.0546 19.2371 19.2371 k =-0.0924 0.5337 0.3543 ( 1700 PWs) bands (ev): 4.4508 4.4508 4.6720 4.6720 8.6498 8.6498 8.6733 8.6733 9.6915 9.6915 10.1948 10.1948 10.8936 10.8936 11.1678 11.1678 11.2206 11.2206 11.2927 11.2927 11.3853 11.3853 11.4964 11.4964 11.5511 11.5511 12.2056 12.2056 12.6775 12.6775 12.7805 12.7805 13.2286 13.2286 13.3956 13.3956 13.4206 13.4206 13.5189 13.5189 13.6348 13.6348 13.7727 13.7727 13.9904 13.9904 14.0133 14.0133 15.8418 15.8418 16.4861 16.4861 18.9379 18.9379 19.1345 19.1345 k =-0.1026 0.5301 0.3612 ( 1696 PWs) bands (ev): 4.4536 4.4536 4.7009 4.7009 8.6190 8.6190 8.6414 8.6414 9.6873 9.6873 10.2176 10.2176 10.8852 10.8852 11.1551 11.1551 11.2181 11.2181 11.3127 11.3127 11.3846 11.3846 11.5083 11.5083 11.5381 11.5381 12.2388 12.2388 12.6708 12.6708 12.7699 12.7699 13.2164 13.2164 13.3739 13.3739 13.4046 13.4046 13.5257 13.5257 13.6504 13.6504 13.7748 13.7748 13.9929 13.9929 14.0179 14.0179 15.8212 15.8212 16.5313 16.5313 18.8290 18.8290 19.0370 19.0370 k =-0.1129 0.5265 0.3682 ( 1696 PWs) bands (ev): 4.4576 4.4576 4.7315 4.7315 8.5856 8.5856 8.6077 8.6077 9.6862 9.6862 10.2360 10.2360 10.8795 10.8795 11.1398 11.1398 11.2130 11.2130 11.3327 11.3327 11.3855 11.3855 11.5154 11.5154 11.5355 11.5355 12.2708 12.2708 12.6649 12.6649 12.7565 12.7565 13.2047 13.2047 13.3488 13.3488 13.3891 13.3891 13.5342 13.5342 13.6655 13.6655 13.7750 13.7750 13.9948 13.9948 14.0231 14.0231 15.7996 15.7996 16.5749 16.5749 18.7295 18.7295 18.9452 18.9452 k =-0.1231 0.5229 0.3751 ( 1698 PWs) bands (ev): 4.4629 4.4629 4.7640 4.7640 8.5496 8.5496 8.5728 8.5728 9.6880 9.6880 10.2499 10.2499 10.8766 10.8766 11.1224 11.1224 11.2057 11.2057 11.3523 11.3523 11.3886 11.3886 11.5147 11.5147 11.5460 11.5460 12.3017 12.3017 12.6598 12.6598 12.7405 12.7405 13.1931 13.1931 13.3224 13.3224 13.3724 13.3724 13.5446 13.5446 13.6797 13.6797 13.7739 13.7739 13.9960 13.9960 14.0289 14.0289 15.7761 15.7761 16.6158 16.6158 18.6405 18.6405 18.8600 18.8600 k =-0.1334 0.5194 0.3821 ( 1700 PWs) bands (ev): 4.4694 4.4694 4.7982 4.7982 8.5111 8.5111 8.5369 8.5369 9.6926 9.6926 10.2592 10.2592 10.8760 10.8760 11.1031 11.1031 11.1963 11.1963 11.3711 11.3711 11.3943 11.3943 11.5140 11.5140 11.5611 11.5611 12.3315 12.3315 12.6554 12.6554 12.7225 12.7225 13.1815 13.1815 13.2954 13.2954 13.3542 13.3542 13.5567 13.5567 13.6921 13.6921 13.7722 13.7722 13.9964 13.9964 14.0350 14.0350 15.7497 15.7497 16.6534 16.6534 18.5635 18.5635 18.7824 18.7824 k =-0.1437 0.5158 0.3890 ( 1700 PWs) bands (ev): 4.4770 4.4770 4.8342 4.8342 8.4709 8.4709 8.5003 8.5003 9.6997 9.6997 10.2641 10.2641 10.8774 10.8774 11.0825 11.0825 11.1849 11.1849 11.3893 11.3893 11.4027 11.4027 11.5158 11.5158 11.5776 11.5776 12.3604 12.3604 12.6512 12.6512 12.7032 12.7032 13.1696 13.1696 13.2682 13.2682 13.3342 13.3342 13.5705 13.5705 13.7019 13.7019 13.7710 13.7710 13.9962 13.9962 14.0412 14.0412 15.7192 15.7192 16.6865 16.6865 18.4994 18.4994 18.7134 18.7134 k =-0.1539 0.5122 0.3960 ( 1702 PWs) bands (ev): 4.4855 4.4855 4.8719 4.8719 8.4292 8.4292 8.4628 8.4628 9.7089 9.7089 10.2650 10.2650 10.8799 10.8799 11.0614 11.0614 11.1715 11.1715 11.4065 11.4065 11.4139 11.4139 11.5201 11.5201 11.5950 11.5950 12.3884 12.3884 12.6456 12.6456 12.6848 12.6848 13.1571 13.1571 13.2411 13.2411 13.3125 13.3125 13.5856 13.5856 13.7077 13.7077 13.7718 13.7718 13.9953 13.9953 14.0474 14.0474 15.6839 15.6839 16.7142 16.7142 18.4491 18.4491 18.6542 18.6542 k =-0.1642 0.5086 0.4029 ( 1698 PWs) bands (ev): 4.4950 4.4950 4.9114 4.9114 8.3867 8.3867 8.4246 8.4246 9.7202 9.7202 10.2625 10.2625 10.8826 10.8826 11.0404 11.0404 11.1560 11.1560 11.4231 11.4231 11.4278 11.4278 11.5268 11.5268 11.6128 11.6128 12.4155 12.4155 12.6347 12.6347 12.6716 12.6716 13.1438 13.1438 13.2143 13.2143 13.2895 13.2895 13.6017 13.6017 13.7090 13.7090 13.7756 13.7756 13.9938 13.9938 14.0533 14.0533 15.6431 15.6431 16.7353 16.7353 18.4133 18.4133 18.6060 18.6060 k =-0.1745 0.5050 0.4099 ( 1699 PWs) bands (ev): 4.5053 4.5053 4.9525 4.9525 8.3437 8.3437 8.3856 8.3856 9.7334 9.7334 10.2569 10.2569 10.8840 10.8840 11.0206 11.0206 11.1384 11.1384 11.4395 11.4395 11.4437 11.4437 11.5356 11.5356 11.6309 11.6309 12.4413 12.4413 12.6161 12.6161 12.6663 12.6663 13.1294 13.1294 13.1880 13.1880 13.2650 13.2650 13.6178 13.6178 13.7067 13.7067 13.7818 13.7818 13.9916 13.9916 14.0588 14.0588 15.5965 15.5965 16.7490 16.7490 18.3920 18.3920 18.5696 18.5696 k =-0.1847 0.5014 0.4168 ( 1701 PWs) bands (ev): 4.5164 4.5164 4.9953 4.9953 8.3005 8.3005 8.3461 8.3461 9.7483 9.7483 10.2490 10.2490 10.8825 10.8825 11.0033 11.0033 11.1186 11.1186 11.4557 11.4557 11.4613 11.4613 11.5465 11.5465 11.6491 11.6491 12.4653 12.4653 12.5937 12.5937 12.6660 12.6660 13.1134 13.1134 13.1628 13.1628 13.2394 13.2394 13.6323 13.6323 13.7038 13.7038 13.7895 13.7895 13.9887 13.9887 14.0639 14.0639 15.5440 15.5440 16.7543 16.7543 18.3853 18.3853 18.5461 18.5461 k =-0.1950 0.4979 0.4238 ( 1700 PWs) bands (ev): 4.5281 4.5281 5.0398 5.0398 8.2573 8.2573 8.3062 8.3062 9.7649 9.7649 10.2393 10.2393 10.8765 10.8765 10.9898 10.9898 11.0968 11.0968 11.4711 11.4711 11.4809 11.4809 11.5594 11.5594 11.6674 11.6674 12.4854 12.4854 12.5723 12.5723 12.6684 12.6684 13.0955 13.0955 13.1392 13.1392 13.2130 13.2130 13.6416 13.6416 13.7046 13.7046 13.7975 13.7975 13.9853 13.9853 14.0685 14.0685 15.4860 15.4860 16.7510 16.7510 18.3924 18.3924 18.5358 18.5358 k =-0.2052 0.4943 0.4307 ( 1704 PWs) bands (ev): 4.5403 4.5403 5.0859 5.0859 8.2146 8.2146 8.2659 8.2659 9.7828 9.7828 10.2281 10.2281 10.8649 10.8649 10.9810 10.9810 11.0730 11.0730 11.4858 11.4858 11.5017 11.5017 11.5746 11.5746 11.6854 11.6854 12.4942 12.4942 12.5600 12.5600 12.6724 12.6724 13.0752 13.0752 13.1174 13.1174 13.1858 13.1858 13.6421 13.6421 13.7130 13.7130 13.8053 13.8053 13.9812 13.9812 14.0726 14.0726 15.4230 15.4230 16.7390 16.7390 18.4125 18.4125 18.5389 18.5389 k =-0.2155 0.4907 0.4376 ( 1702 PWs) bands (ev): 4.5530 4.5530 5.1335 5.1335 8.1723 8.1723 8.2256 8.2256 9.8021 9.8021 10.2160 10.2160 10.8478 10.8478 10.9764 10.9764 11.0475 11.0475 11.5001 11.5001 11.5229 11.5229 11.5924 11.5924 11.7031 11.7031 12.4828 12.4828 12.5663 12.5663 12.6780 12.6780 13.0529 13.0529 13.0976 13.0976 13.1581 13.1581 13.6352 13.6352 13.7283 13.7283 13.8127 13.8127 13.9766 13.9766 14.0764 14.0764 15.3557 15.3557 16.7188 16.7188 18.4447 18.4447 18.5548 18.5548 k =-0.2258 0.4871 0.4446 ( 1706 PWs) bands (ev): 4.5659 4.5659 5.1827 5.1827 8.1308 8.1308 8.1852 8.1852 9.8228 9.8228 10.2032 10.2032 10.8263 10.8263 10.9740 10.9740 11.0208 11.0208 11.5140 11.5140 11.5437 11.5437 11.6128 11.6128 11.7204 11.7204 12.4592 12.4592 12.5830 12.5830 12.6847 12.6847 13.0293 13.0293 13.0791 13.0791 13.1304 13.1304 13.6243 13.6243 13.7468 13.7468 13.8195 13.8195 13.9713 13.9713 14.0796 14.0796 15.2851 15.2851 16.6910 16.6910 18.4876 18.4876 18.5829 18.5829 k =-0.2360 0.4835 0.4515 ( 1701 PWs) bands (ev): 4.5791 4.5791 5.2334 5.2334 8.0901 8.0901 8.1451 8.1451 9.8446 9.8446 10.1900 10.1900 10.8017 10.8017 10.9700 10.9700 10.9958 10.9958 11.5279 11.5279 11.5638 11.5638 11.6363 11.6363 11.7373 11.7373 12.4317 12.4317 12.6021 12.6021 12.6927 12.6927 13.0050 13.0050 13.0614 13.0614 13.1026 13.1026 13.6117 13.6117 13.7665 13.7665 13.8260 13.8260 13.9657 13.9657 14.0823 14.0823 15.2121 15.2121 16.6567 16.6567 18.5400 18.5400 18.6222 18.6222 k =-0.2463 0.4800 0.4585 ( 1703 PWs) bands (ev): 4.5923 4.5923 5.2855 5.2855 8.0504 8.0504 8.1052 8.1052 9.8674 9.8674 10.1767 10.1767 10.7748 10.7748 10.9513 10.9513 10.9847 10.9847 11.5415 11.5415 11.5828 11.5828 11.6622 11.6622 11.7535 11.7535 12.4025 12.4025 12.6205 12.6205 12.7014 12.7014 12.9808 12.9808 13.0441 13.0441 13.0751 13.0751 13.5986 13.5986 13.7855 13.7855 13.8326 13.8326 13.9595 13.9595 14.0846 14.0846 15.1375 15.1375 16.6170 16.6170 18.6004 18.6004 18.6714 18.6714 k =-0.2566 0.4764 0.4654 ( 1701 PWs) bands (ev): 4.6054 4.6054 5.3391 5.3391 8.0119 8.0119 8.0659 8.0659 9.8913 9.8913 10.1633 10.1633 10.7459 10.7459 10.9212 10.9212 10.9842 10.9842 11.5549 11.5549 11.6010 11.6010 11.6901 11.6901 11.7692 11.7692 12.3728 12.3728 12.6371 12.6371 12.7110 12.7110 12.9570 12.9570 13.0270 13.0270 13.0482 13.0482 13.5859 13.5859 13.8019 13.8019 13.8407 13.8407 13.9532 13.9532 14.0866 14.0866 15.0624 15.0624 16.5730 16.5730 18.6676 18.6676 18.7293 18.7293 k =-0.2668 0.4728 0.4724 ( 1700 PWs) bands (ev): 4.6182 4.6182 5.3940 5.3940 7.9745 7.9745 8.0272 8.0272 9.9161 9.9161 10.1500 10.1500 10.7153 10.7153 10.8879 10.8879 10.9858 10.9858 11.5682 11.5682 11.6187 11.6187 11.7190 11.7190 11.7844 11.7844 12.3430 12.3430 12.6511 12.6511 12.7210 12.7210 12.9341 12.9341 13.0100 13.0100 13.0223 13.0223 13.5743 13.5743 13.8131 13.8131 13.8521 13.8521 13.9469 13.9469 14.0883 14.0883 14.9874 14.9874 16.5260 16.5260 18.7404 18.7404 18.7947 18.7947 k =-0.2771 0.4692 0.4793 ( 1699 PWs) bands (ev): 4.6308 4.6308 5.4502 5.4502 7.9384 7.9384 7.9894 7.9894 9.9416 9.9416 10.1369 10.1369 10.6832 10.6832 10.8532 10.8532 10.9880 10.9880 11.5814 11.5814 11.6360 11.6360 11.7482 11.7482 11.7992 11.7992 12.3133 12.3133 12.6618 12.6618 12.7310 12.7310 12.9123 12.9123 12.9925 12.9925 12.9979 12.9979 13.5646 13.5646 13.8188 13.8188 13.8666 13.8666 13.9412 13.9412 14.0896 14.0896 14.9132 14.9132 16.4767 16.4767 18.8176 18.8176 18.8663 18.8663 k =-0.2873 0.4656 0.4863 ( 1702 PWs) bands (ev): 4.6428 4.6428 5.5076 5.5076 7.9036 7.9036 7.9524 7.9524 9.9678 9.9678 10.1240 10.1240 10.6497 10.6497 10.8176 10.8176 10.9906 10.9906 11.5943 11.5943 11.6530 11.6530 11.7761 11.7761 11.8146 11.8146 12.2840 12.2840 12.6690 12.6690 12.7399 12.7399 12.8922 12.8922 12.9723 12.9723 12.9778 12.9778 13.5576 13.5576 13.8208 13.8208 13.8806 13.8806 13.9375 13.9375 14.0906 14.0906 14.8405 14.8405 16.4261 16.4261 18.8982 18.8982 18.9430 18.9430 k =-0.2976 0.4620 0.4932 ( 1699 PWs) bands (ev): 4.6542 4.6542 5.5662 5.5662 7.8702 7.8702 7.9166 7.9166 9.9944 9.9944 10.1115 10.1115 10.6149 10.6149 10.7814 10.7814 10.9933 10.9933 11.6071 11.6071 11.6700 11.6700 11.7999 11.7999 11.8327 11.8327 12.2553 12.2553 12.6725 12.6725 12.7470 12.7470 12.8741 12.8741 12.9512 12.9512 12.9608 12.9608 13.5540 13.5540 13.8205 13.8205 13.8897 13.8897 13.9393 13.9393 14.0915 14.0915 14.7698 14.7698 16.3749 16.3749 18.9813 18.9813 19.0236 19.0236 k =-0.3079 0.4585 0.5002 ( 1703 PWs) bands (ev): 4.6647 4.6647 5.6258 5.6258 7.8382 7.8382 7.8819 7.8819 10.0210 10.0210 10.0995 10.0995 10.5790 10.5790 10.7450 10.7450 10.9963 10.9963 11.6197 11.6197 11.6866 11.6866 11.8170 11.8170 11.8556 11.8556 12.2273 12.2273 12.6723 12.6723 12.7502 12.7502 12.8585 12.8585 12.9325 12.9325 12.9445 12.9445 13.5544 13.5544 13.8185 13.8185 13.8908 13.8908 13.9482 13.9482 14.0921 14.0921 14.7013 14.7013 16.3237 16.3237 19.0662 19.0662 19.1070 19.1070 k =-0.3181 0.4549 0.5071 ( 1699 PWs) bands (ev): 4.6744 4.6744 5.6865 5.6865 7.8077 7.8077 7.8487 7.8487 10.0462 10.0462 10.0892 10.0892 10.5422 10.5422 10.7088 10.7088 10.9996 10.9996 11.6321 11.6321 11.7032 11.7032 11.8288 11.8288 11.8814 11.8814 12.2006 12.2006 12.6686 12.6686 12.7480 12.7480 12.8456 12.8456 12.9178 12.9178 12.9292 12.9292 13.5594 13.5594 13.8151 13.8151 13.8865 13.8865 13.9619 13.9619 14.0927 14.0927 14.6354 14.6354 16.2730 16.2730 19.1522 19.1522 19.1919 19.1919 k =-0.3284 0.4513 0.5141 ( 1697 PWs) bands (ev): 4.6830 4.6830 5.7482 5.7482 7.7787 7.7787 7.8169 7.8169 10.0600 10.0600 10.0899 10.0899 10.5048 10.5048 10.6731 10.6731 11.0031 11.0031 11.6443 11.6443 11.7194 11.7194 11.8373 11.8373 11.9070 11.9070 12.1756 12.1756 12.6615 12.6615 12.7396 12.7396 12.8346 12.8346 12.9066 12.9066 12.9166 12.9166 13.5693 13.5693 13.8105 13.8105 13.8797 13.8797 13.9770 13.9770 14.0932 14.0932 14.5724 14.5724 16.2231 16.2231 19.2386 19.2386 19.2774 19.2774 k =-0.3387 0.4477 0.5210 ( 1699 PWs) bands (ev): 4.6903 4.6903 5.8106 5.8106 7.7511 7.7511 7.7866 7.7866 10.0525 10.0525 10.1109 10.1109 10.4672 10.4672 10.6384 10.6384 11.0068 11.0068 11.6562 11.6562 11.7353 11.7353 11.8435 11.8435 11.9304 11.9304 12.1531 12.1531 12.6510 12.6510 12.7259 12.7259 12.8242 12.8242 12.8942 12.8942 12.9123 12.9123 13.5836 13.5836 13.8049 13.8049 13.8718 13.8718 13.9919 13.9919 14.0939 14.0939 14.5123 14.5123 16.1745 16.1745 19.3247 19.3247 19.3626 19.3626 k =-0.3489 0.4441 0.5280 ( 1703 PWs) bands (ev): 4.6963 4.6963 5.8738 5.8738 7.7250 7.7250 7.7581 7.7581 10.0388 10.0388 10.1364 10.1364 10.4300 10.4300 10.6053 10.6053 11.0108 11.0108 11.6678 11.6678 11.7507 11.7507 11.8477 11.8477 11.9496 11.9496 12.1341 12.1341 12.6363 12.6363 12.7097 12.7097 12.8139 12.8139 12.8805 12.8805 12.9158 12.9158 13.6024 13.6024 13.7983 13.7983 13.8637 13.8637 14.0057 14.0057 14.0948 14.0948 14.4554 14.4554 16.1273 16.1273 19.4098 19.4098 19.4466 19.4466 k =-0.3592 0.4406 0.5349 ( 1701 PWs) bands (ev): 4.7008 4.7008 5.9377 5.9377 7.7003 7.7003 7.7314 7.7314 10.0223 10.0223 10.1618 10.1618 10.3942 10.3942 10.5745 10.5745 11.0150 11.0150 11.6791 11.6791 11.7654 11.7654 11.8503 11.8503 11.9630 11.9630 12.1206 12.1206 12.6164 12.6164 12.6942 12.6942 12.8040 12.8040 12.8672 12.8672 12.9239 12.9239 13.6251 13.6251 13.7910 13.7910 13.8556 13.8556 14.0179 14.0179 14.0964 14.0964 14.4017 14.4017 16.0817 16.0817 19.4931 19.4931 19.5287 19.5287 k =-0.3694 0.4370 0.5419 ( 1701 PWs) bands (ev): 4.7036 4.7036 6.0020 6.0020 7.6770 7.6770 7.7066 7.7066 10.0030 10.0030 10.1856 10.1856 10.3604 10.3604 10.5468 10.5468 11.0195 11.0195 11.6899 11.6899 11.7791 11.7791 11.8515 11.8515 11.9680 11.9680 12.1144 12.1144 12.5904 12.5904 12.6822 12.6822 12.7948 12.7948 12.8551 12.8551 12.9348 12.9348 13.6507 13.6507 13.7830 13.7830 13.8480 13.8480 14.0280 14.0280 14.0990 14.0990 14.3515 14.3515 16.0380 16.0380 19.5739 19.5739 19.6081 19.6081 k =-0.3797 0.4334 0.5488 ( 1699 PWs) bands (ev): 4.7047 4.7047 6.0668 6.0668 7.6552 7.6552 7.6837 7.6837 9.9802 9.9802 10.2066 10.2066 10.3299 10.3299 10.5233 10.5233 11.0241 11.0241 11.7002 11.7002 11.7916 11.7916 11.8514 11.8514 11.9644 11.9644 12.1157 12.1157 12.5589 12.5589 12.6745 12.6745 12.7864 12.7864 12.8447 12.8447 12.9473 12.9473 13.6781 13.6781 13.7747 13.7747 13.8412 13.8412 14.0356 14.0356 14.1027 14.1027 14.3049 14.3049 15.9962 15.9962 19.6515 19.6515 19.6844 19.6844 k =-0.3900 0.4298 0.5557 ( 1701 PWs) bands (ev): 4.7040 4.7040 6.1319 6.1319 7.6349 7.6349 7.6627 7.6627 9.9531 9.9531 10.2230 10.2230 10.3040 10.3040 10.5054 10.5054 11.0290 11.0290 11.7098 11.7098 11.8022 11.8022 11.8504 11.8504 11.9544 11.9544 12.1223 12.1223 12.5236 12.5236 12.6709 12.6709 12.7782 12.7782 12.8368 12.8368 12.9606 12.9606 13.7053 13.7053 13.7661 13.7661 13.8359 13.8359 14.0408 14.0408 14.1076 14.1076 14.2626 14.2626 15.9565 15.9565 19.7254 19.7254 19.7569 19.7569 k =-0.4002 0.4262 0.5627 ( 1704 PWs) bands (ev): 4.7013 4.7013 6.1971 6.1971 7.6162 7.6162 7.6436 7.6436 9.9212 9.9212 10.2330 10.2330 10.2838 10.2838 10.4946 10.4946 11.0339 11.0339 11.7182 11.7182 11.8105 11.8105 11.8490 11.8490 11.9408 11.9408 12.1313 12.1313 12.4860 12.4860 12.6709 12.6709 12.7697 12.7697 12.8322 12.8322 12.9744 12.9744 13.7295 13.7295 13.7576 13.7576 13.8334 13.8334 14.0441 14.0441 14.1134 14.1134 14.2253 14.2253 15.9188 15.9188 19.7949 19.7949 19.8251 19.8251 k =-0.4105 0.4227 0.5696 ( 1708 PWs) bands (ev): 4.6965 4.6965 6.2622 6.2622 7.5992 7.5992 7.6264 7.6264 9.8845 9.8845 10.2349 10.2349 10.2705 10.2705 10.4918 10.4918 11.0390 11.0390 11.7252 11.7252 11.8161 11.8161 11.8473 11.8473 11.9263 11.9263 12.1408 12.1408 12.4474 12.4474 12.6745 12.6745 12.7603 12.7603 12.8312 12.8312 12.9884 12.9884 13.7450 13.7450 13.7515 13.7515 13.8349 13.8349 14.0466 14.0466 14.1191 14.1191 14.1948 14.1948 15.8831 15.8831 19.8598 19.8598 19.8887 19.8887 k =-0.4208 0.4191 0.5766 ( 1714 PWs) bands (ev): 4.6896 4.6896 6.3271 6.3271 7.5838 7.5838 7.6110 7.6110 9.8433 9.8433 10.2301 10.2301 10.2623 10.2623 10.4969 10.4969 11.0440 11.0440 11.7302 11.7302 11.8193 11.8193 11.8449 11.8449 11.9128 11.9128 12.1496 12.1496 12.4087 12.4087 12.6814 12.6814 12.7501 12.7501 12.8339 12.8339 13.0023 13.0023 13.7401 13.7401 13.7570 13.7570 13.8400 13.8400 14.0498 14.0498 14.1229 14.1229 14.1742 14.1742 15.8497 15.8497 19.9197 19.9197 19.9473 19.9473 k =-0.4310 0.4155 0.5835 ( 1712 PWs) bands (ev): 4.6806 4.6806 6.3917 6.3917 7.5703 7.5703 7.5975 7.5975 9.7982 9.7982 10.2237 10.2237 10.2558 10.2558 10.5086 10.5086 11.0491 11.0491 11.7325 11.7325 11.8208 11.8208 11.8409 11.8409 11.9018 11.9018 12.1570 12.1570 12.3711 12.3711 12.6913 12.6913 12.7392 12.7392 12.8399 12.8399 13.0159 13.0159 13.7328 13.7328 13.7577 13.7577 13.8438 13.8438 14.0549 14.0549 14.1215 14.1215 14.1690 14.1690 15.8184 15.8184 19.9743 19.9743 20.0006 20.0006 k =-0.4310 0.4155 0.5835 ( 1712 PWs) bands (ev): 4.6806 4.6806 6.3917 6.3917 7.5703 7.5703 7.5975 7.5975 9.7982 9.7982 10.2237 10.2237 10.2558 10.2558 10.5086 10.5086 11.0491 11.0491 11.7325 11.7325 11.8208 11.8208 11.8409 11.8409 11.9018 11.9018 12.1570 12.1570 12.3711 12.3711 12.6913 12.6913 12.7392 12.7392 12.8399 12.8399 13.0159 13.0159 13.7328 13.7328 13.7577 13.7577 13.8438 13.8438 14.0549 14.0549 14.1215 14.1215 14.1690 14.1690 15.8184 15.8184 19.9743 19.9743 20.0006 20.0006 k =-0.4373 0.4051 0.5835 ( 1720 PWs) bands (ev): 4.6664 4.6664 6.4836 6.4836 7.5526 7.5526 7.5798 7.5798 9.7306 9.7306 10.2145 10.2145 10.2464 10.2464 10.5290 10.5290 11.0559 11.0559 11.7344 11.7344 11.8216 11.8216 11.8324 11.8324 11.8897 11.8897 12.1647 12.1647 12.3209 12.3209 12.7074 12.7074 12.7226 12.7226 12.8515 12.8515 13.0349 13.0349 13.7226 13.7226 13.7537 13.7537 13.8461 13.8461 14.0629 14.0629 14.1148 14.1148 14.1747 14.1747 15.7768 15.7768 20.0480 20.0480 20.0726 20.0726 k =-0.4436 0.3946 0.5835 ( 1716 PWs) bands (ev): 4.6537 4.6537 6.5716 6.5716 7.5366 7.5366 7.5639 7.5639 9.6645 9.6645 10.2065 10.2065 10.2383 10.2383 10.5487 10.5487 11.0624 11.0624 11.7377 11.7377 11.8216 11.8216 11.8229 11.8229 11.8808 11.8808 12.1649 12.1649 12.2806 12.2806 12.7054 12.7054 12.7229 12.7229 12.8638 12.8638 13.0524 13.0524 13.7129 13.7129 13.7484 13.7484 13.8497 13.8497 14.0702 14.0702 14.1075 14.1075 14.1810 14.1810 15.7395 15.7395 20.1177 20.1177 20.1407 20.1407 k =-0.4498 0.3842 0.5835 ( 1712 PWs) bands (ev): 4.6423 4.6423 6.6549 6.6549 7.5223 7.5223 7.5495 7.5495 9.6006 9.6006 10.1993 10.1993 10.2312 10.2312 10.5675 10.5675 11.0683 11.0683 11.7426 11.7426 11.8109 11.8109 11.8227 11.8227 11.8744 11.8744 12.1495 12.1495 12.2581 12.2581 12.6884 12.6884 12.7375 12.7375 12.8759 12.8759 13.0685 13.0685 13.7036 13.7036 13.7423 13.7423 13.8539 13.8539 14.0768 14.0768 14.1002 14.1002 14.1870 14.1870 15.7065 15.7065 20.1827 20.1827 20.2041 20.2041 k =-0.4561 0.3738 0.5835 ( 1712 PWs) bands (ev): 4.6323 4.6323 6.7325 6.7325 7.5095 7.5095 7.5367 7.5367 9.5400 9.5400 10.1930 10.1930 10.2248 10.2248 10.5850 10.5850 11.0737 11.0737 11.7490 11.7490 11.7997 11.7997 11.8230 11.8230 11.8698 11.8698 12.1180 12.1180 12.2539 12.2539 12.6719 12.6719 12.7510 12.7510 12.8874 12.8874 13.0827 13.0827 13.6949 13.6949 13.7358 13.7358 13.8582 13.8582 14.0827 14.0827 14.0934 14.0934 14.1926 14.1926 15.6777 15.6777 20.2423 20.2423 20.2622 20.2622 k =-0.4624 0.3634 0.5835 ( 1712 PWs) bands (ev): 4.6235 4.6235 6.8033 6.8033 7.4984 7.4984 7.5257 7.5257 9.4837 9.4837 10.1875 10.1875 10.2193 10.2193 10.6009 10.6009 11.0784 11.0784 11.7572 11.7572 11.7890 11.7890 11.8234 11.8234 11.8663 11.8663 12.0798 12.0798 12.2587 12.2587 12.6564 12.6564 12.7632 12.7632 12.8979 12.8979 13.0952 13.0952 13.6870 13.6870 13.7295 13.7295 13.8624 13.8624 14.0872 14.0872 14.0878 14.0878 14.1976 14.1976 15.6529 15.6529 20.2958 20.2958 20.3144 20.3144 k =-0.4686 0.3530 0.5835 ( 1712 PWs) bands (ev): 4.6162 4.6162 6.8663 6.8663 7.4890 7.4890 7.5163 7.5163 9.4329 9.4329 10.1829 10.1829 10.2146 10.2146 10.6150 10.6150 11.0825 11.0825 11.7670 11.7670 11.7796 11.7796 11.8239 11.8239 11.8636 11.8636 12.0406 12.0406 12.2665 12.2665 12.6422 12.6422 12.7739 12.7739 12.9073 12.9073 13.1059 13.1059 13.6800 13.6800 13.7237 13.7237 13.8662 13.8662 14.0819 14.0819 14.0921 14.0921 14.2019 14.2019 15.6321 15.6321 20.3426 20.3426 20.3599 20.3599 k =-0.4749 0.3425 0.5835 ( 1712 PWs) bands (ev): 4.6101 4.6101 6.9202 6.9202 7.4813 7.4813 7.5086 7.5086 9.3890 9.3890 10.1791 10.1791 10.2108 10.2108 10.6270 10.6270 11.0858 11.0858 11.7709 11.7709 11.7791 11.7791 11.8248 11.8248 11.8615 11.8615 12.0031 12.0031 12.2748 12.2748 12.6297 12.6297 12.7830 12.7830 12.9154 12.9154 13.1147 13.1147 13.6741 13.6741 13.7185 13.7185 13.8694 13.8694 14.0773 14.0773 14.0957 14.0957 14.2054 14.2054 15.6152 15.6152 20.3819 20.3819 20.3982 20.3982 k =-0.4812 0.3321 0.5835 ( 1712 PWs) bands (ev): 4.6054 4.6054 6.9637 6.9637 7.4753 7.4753 7.5025 7.5025 9.3531 9.3531 10.1761 10.1761 10.2079 10.2079 10.6366 10.6366 11.0885 11.0885 11.7647 11.7647 11.7913 11.7913 11.8269 11.8269 11.8600 11.8600 11.9684 11.9684 12.2822 12.2822 12.6193 12.6193 12.7902 12.7902 12.9218 12.9218 13.1216 13.1216 13.6693 13.6693 13.7143 13.7143 13.8720 13.8720 14.0737 14.0737 14.0984 14.0984 14.2081 14.2081 15.6021 15.6021 20.4131 20.4131 20.4286 20.4286 k =-0.4875 0.3217 0.5835 ( 1712 PWs) bands (ev): 4.6021 4.6021 6.9958 6.9958 7.4710 7.4710 7.4982 7.4982 9.3265 9.3265 10.1740 10.1740 10.2058 10.2058 10.6437 10.6437 11.0905 11.0905 11.7600 11.7600 11.8022 11.8022 11.8318 11.8318 11.8589 11.8589 11.9376 11.9376 12.2881 12.2881 12.6116 12.6116 12.7954 12.7954 12.9265 12.9265 13.1266 13.1266 13.6658 13.6658 13.7112 13.7112 13.8739 13.8739 14.0711 14.0711 14.1004 14.1004 14.2101 14.2101 15.5928 15.5928 20.4359 20.4359 20.4507 20.4507 k =-0.4937 0.3113 0.5835 ( 1708 PWs) bands (ev): 4.6001 4.6001 7.0155 7.0155 7.4684 7.4684 7.4957 7.4957 9.3101 9.3101 10.1729 10.1729 10.2046 10.2046 10.6481 10.6481 11.0916 11.0916 11.7572 11.7572 11.8086 11.8086 11.8410 11.8410 11.8583 11.8583 11.9130 11.9130 12.2918 12.2918 12.6067 12.6067 12.7986 12.7986 12.9294 12.9294 13.1296 13.1296 13.6637 13.6637 13.7093 13.7093 13.8754 13.8754 14.0695 14.0695 14.1016 14.1016 14.2113 14.2113 15.5872 15.5872 20.4497 20.4497 20.4641 20.4641 k =-0.5000 0.3008 0.5835 ( 1708 PWs) bands (ev): 4.5994 4.5994 7.0221 7.0221 7.4675 7.4675 7.4948 7.4948 9.3046 9.3046 10.1724 10.1724 10.2041 10.2041 10.6496 10.6496 11.0920 11.0920 11.7562 11.7562 11.8104 11.8104 11.8472 11.8472 11.8581 11.8581 11.9019 11.9019 12.2931 12.2931 12.6051 12.6051 12.7997 12.7997 12.9304 12.9304 13.1306 13.1306 13.6630 13.6630 13.7087 13.7087 13.8758 13.8758 14.0689 14.0689 14.1020 14.1020 14.2117 14.2117 15.5854 15.5854 20.4543 20.4543 20.4686 20.4686 k = 0.0000 0.0000 0.5835 ( 1694 PWs) bands (ev): 3.3520 3.3520 6.2465 6.2465 8.1994 8.1994 8.4600 8.4600 10.2376 10.2376 10.3638 10.3638 10.5122 10.5122 10.6169 10.6169 10.7869 10.7869 10.9547 10.9547 11.3221 11.3221 11.6079 11.6079 12.2413 12.2413 12.3032 12.3032 12.4506 12.4506 12.7257 12.7257 12.7984 12.7984 12.9032 12.9032 13.3198 13.3198 13.7155 13.7155 13.8312 13.8312 13.9370 13.9370 14.8098 14.8098 15.4380 15.4380 15.6756 15.6756 16.4476 16.4476 19.0582 19.0582 20.1771 20.1771 k = 0.0068 0.0112 0.5835 ( 1704 PWs) bands (ev): 3.3530 3.3530 6.2479 6.2479 8.1599 8.1599 8.4988 8.4988 10.2373 10.2373 10.3644 10.3644 10.5100 10.5100 10.6164 10.6164 10.7873 10.7873 10.9542 10.9542 11.3216 11.3216 11.6087 11.6087 12.2398 12.2398 12.3023 12.3023 12.4502 12.4502 12.7258 12.7258 12.7986 12.7986 12.9049 12.9049 13.3196 13.3196 13.7154 13.7154 13.8302 13.8302 13.9372 13.9372 14.8083 14.8083 15.4395 15.4395 15.6702 15.6702 16.4507 16.4507 19.0633 19.0633 20.1822 20.1822 k = 0.0135 0.0225 0.5835 ( 1700 PWs) bands (ev): 3.3561 3.3561 6.2521 6.2521 8.0759 8.0759 8.5814 8.5814 10.2374 10.2374 10.3663 10.3663 10.5037 10.5037 10.6150 10.6150 10.7888 10.7888 10.9532 10.9532 11.3210 11.3210 11.6114 11.6114 12.2357 12.2357 12.2999 12.2999 12.4496 12.4496 12.7262 12.7262 12.7992 12.7992 12.9100 12.9100 13.3197 13.3197 13.7154 13.7154 13.8276 13.8276 13.9380 13.9380 14.8037 14.8037 15.4443 15.4443 15.6545 15.6545 16.4601 16.4601 19.0784 19.0784 20.1974 20.1974 k = 0.0203 0.0337 0.5835 ( 1700 PWs) bands (ev): 3.3613 3.3613 6.2591 6.2591 7.9778 7.9778 8.6770 8.6770 10.2375 10.2375 10.3694 10.3694 10.4931 10.4931 10.6128 10.6128 10.7913 10.7913 10.9517 10.9517 11.3198 11.3198 11.6156 11.6156 12.2286 12.2286 12.2964 12.2964 12.4487 12.4487 12.7270 12.7270 12.8003 12.8003 12.9179 12.9179 13.3196 13.3196 13.7153 13.7153 13.8235 13.8235 13.9392 13.9392 14.7962 14.7962 15.4523 15.4523 15.6287 15.6287 16.4756 16.4756 19.1027 19.1027 20.2228 20.2228 k = 0.0270 0.0449 0.5835 ( 1700 PWs) bands (ev): 3.3686 3.3686 6.2689 6.2689 7.8746 7.8746 8.7768 8.7768 10.2376 10.2376 10.3738 10.3738 10.4776 10.4776 10.6099 10.6099 10.7947 10.7947 10.9501 10.9501 11.3183 11.3183 11.6214 11.6214 12.2184 12.2184 12.2919 12.2919 12.4475 12.4475 12.7283 12.7283 12.8019 12.8019 12.9285 12.9285 13.3195 13.3195 13.7151 13.7151 13.8179 13.8179 13.9406 13.9406 14.7858 14.7858 15.4634 15.4634 15.5939 15.5939 16.4971 16.4971 19.1353 19.1353 20.2586 20.2586 k = 0.0338 0.0561 0.5835 ( 1704 PWs) bands (ev): 3.3779 3.3779 6.2815 6.2815 7.7691 7.7691 8.8778 8.8778 10.2377 10.2377 10.3794 10.3794 10.4572 10.4572 10.6064 10.6064 10.7991 10.7991 10.9486 10.9486 11.3165 11.3165 11.6282 11.6282 12.2051 12.2051 12.2867 12.2867 12.4463 12.4463 12.7302 12.7302 12.8041 12.8041 12.9412 12.9412 13.3193 13.3193 13.7150 13.7150 13.8110 13.8110 13.9421 13.9421 14.7729 14.7729 15.4775 15.4775 15.5509 15.5509 16.5243 16.5243 19.1747 19.1747 20.3049 20.3049 k = 0.0405 0.0674 0.5835 ( 1708 PWs) bands (ev): 3.3893 3.3893 6.2969 6.2969 7.6624 7.6624 8.9787 8.9787 10.2377 10.2377 10.3861 10.3861 10.4316 10.4316 10.6025 10.6025 10.8044 10.8044 10.9479 10.9479 11.3145 11.3145 11.6361 11.6361 12.1884 12.1884 12.2809 12.2809 12.4451 12.4451 12.7326 12.7326 12.8069 12.8069 12.9556 12.9556 13.3190 13.3190 13.7147 13.7147 13.8032 13.8032 13.9436 13.9436 14.7575 14.7575 15.4910 15.4910 15.5045 15.5045 16.5574 16.5574 19.2197 19.2197 20.3616 20.3616 k = 0.0473 0.0786 0.5835 ( 1704 PWs) bands (ev): 3.4028 3.4028 6.3151 6.3151 7.5554 7.5554 9.0791 9.0791 10.2379 10.2379 10.3912 10.3912 10.4033 10.4033 10.5983 10.5983 10.8108 10.8108 10.9481 10.9481 11.3126 11.3126 11.6447 11.6447 12.1692 12.1692 12.2746 12.2746 12.4442 12.4442 12.7359 12.7359 12.8105 12.8105 12.9713 12.9713 13.3185 13.3185 13.7145 13.7145 13.7946 13.7946 13.9449 13.9449 14.7401 14.7401 15.4430 15.4430 15.5167 15.5167 16.5959 16.5959 19.2689 19.2689 20.4287 20.4287 k = 0.0541 0.0898 0.5835 ( 1704 PWs) bands (ev): 3.4184 3.4184 6.3360 6.3360 7.4481 7.4481 9.1784 9.1784 10.2380 10.2380 10.3622 10.3622 10.4049 10.4049 10.5937 10.5937 10.8180 10.8180 10.9495 10.9495 11.3107 11.3107 11.6537 11.6537 12.1474 12.1474 12.2674 12.2674 12.4436 12.4436 12.7398 12.7398 12.8148 12.8148 12.9878 12.9878 13.3179 13.3179 13.7142 13.7142 13.7853 13.7853 13.9460 13.9460 14.7207 14.7207 15.3819 15.3819 15.5402 15.5402 16.6397 16.6397 19.3210 19.3210 20.5058 20.5058 k = 0.0608 0.1011 0.5835 ( 1704 PWs) bands (ev): 3.4360 3.4360 6.3596 6.3596 7.3410 7.3410 9.2763 9.2763 10.2379 10.2379 10.3209 10.3209 10.4149 10.4149 10.5888 10.5888 10.8261 10.8261 10.9522 10.9522 11.3090 11.3090 11.6629 11.6629 12.1235 12.1235 12.2592 12.2592 12.4435 12.4435 12.7443 12.7443 12.8201 12.8201 13.0048 13.0048 13.3170 13.3170 13.7140 13.7140 13.7757 13.7757 13.9469 13.9469 14.6997 14.6997 15.3166 15.3166 15.5671 15.5671 16.6887 16.6887 19.3750 19.3750 20.5593 20.5594 k = 0.0676 0.1123 0.5835 ( 1702 PWs) bands (ev): 3.4557 3.4557 6.3860 6.3860 7.2342 7.2342 9.3726 9.3726 10.2360 10.2360 10.2759 10.2759 10.4264 10.4264 10.5835 10.5835 10.8351 10.8351 10.9564 10.9564 11.3075 11.3075 11.6721 11.6721 12.0977 12.0977 12.2500 12.2500 12.4440 12.4440 12.7494 12.7494 12.8264 12.8264 13.0218 13.0218 13.3158 13.3158 13.7136 13.7136 13.7658 13.7658 13.9474 13.9474 14.6772 14.6772 15.2483 15.2483 15.5970 15.5970 16.7426 16.7426 19.4304 19.4304 20.4658 20.4658 k = 0.0743 0.1235 0.5835 ( 1698 PWs) bands (ev): 3.4774 3.4774 6.4152 6.4152 7.1277 7.1277 9.4669 9.4669 10.2131 10.2131 10.2471 10.2471 10.4389 10.4389 10.5780 10.5780 10.8450 10.8450 10.9621 10.9621 11.3063 11.3063 11.6811 11.6811 12.0704 12.0704 12.2396 12.2396 12.4453 12.4453 12.7552 12.7552 12.8338 12.8338 13.0385 13.0385 13.3143 13.3143 13.7133 13.7133 13.7558 13.7558 13.9476 13.9476 14.6536 14.6536 15.1778 15.1778 15.6301 15.6301 16.8014 16.8014 19.4865 19.4865 20.3668 20.3668 k = 0.0811 0.1348 0.5835 ( 1694 PWs) bands (ev): 3.5012 3.5012 6.4470 6.4470 7.0218 7.0218 9.5591 9.5591 10.1593 10.1593 10.2446 10.2446 10.4525 10.4525 10.5721 10.5721 10.8557 10.8557 10.9693 10.9693 11.3056 11.3056 11.6895 11.6895 12.0418 12.0418 12.2279 12.2279 12.4473 12.4473 12.7617 12.7617 12.8426 12.8426 13.0547 13.0547 13.3124 13.3124 13.7128 13.7128 13.7462 13.7462 13.9473 13.9473 14.6290 14.6290 15.1058 15.1058 15.6662 15.6662 16.8648 16.8648 19.5432 19.5432 20.2633 20.2633 k = 0.0878 0.1460 0.5835 ( 1702 PWs) bands (ev): 3.5270 3.5270 6.4815 6.4815 6.9165 6.9165 9.6491 9.6491 10.0982 10.0982 10.2448 10.2448 10.4669 10.4669 10.5661 10.5661 10.8670 10.8670 10.9777 10.9777 11.3050 11.3050 11.6976 11.6976 12.0119 12.0119 12.2150 12.2150 12.4500 12.4500 12.7684 12.7684 12.8526 12.8526 13.0697 13.0697 13.3099 13.3099 13.7121 13.7121 13.7371 13.7371 13.9467 13.9467 14.6035 14.6035 15.0328 15.0328 15.7054 15.7054 16.9329 16.9329 19.6004 19.6004 20.1561 20.1561 k = 0.0946 0.1572 0.5835 ( 1706 PWs) bands (ev): 3.5549 3.5549 6.5187 6.5187 6.8119 6.8119 9.7365 9.7365 10.0326 10.0326 10.2459 10.2459 10.4819 10.4819 10.5599 10.5599 10.8791 10.8791 10.9875 10.9875 11.3049 11.3049 11.7051 11.7051 11.9811 11.9811 12.2007 12.2007 12.4535 12.4535 12.7757 12.7757 12.8639 12.8639 13.0835 13.0835 13.3071 13.3071 13.7108 13.7108 13.7293 13.7293 13.9457 13.9457 14.5774 14.5774 14.9597 14.9597 15.7475 15.7475 17.0054 17.0054 19.6581 19.6581 20.0459 20.0459 k = 0.1014 0.1684 0.5835 ( 1698 PWs) bands (ev): 3.5848 3.5848 6.5586 6.5586 6.7081 6.7081 9.8214 9.8214 9.9631 9.9631 10.2476 10.2476 10.4973 10.4973 10.5541 10.5541 10.8919 10.8919 10.9986 10.9986 11.3052 11.3052 11.7119 11.7119 11.9499 11.9499 12.1856 12.1856 12.4583 12.4583 12.7837 12.7837 12.8770 12.8770 13.0958 13.0958 13.3039 13.3039 13.7082 13.7082 13.7236 13.7236 13.9444 13.9444 14.5509 14.5509 14.8866 14.8866 15.7926 15.7926 17.0824 17.0824 19.7163 19.7163 19.9332 19.9332 k = 0.1081 0.1797 0.5835 ( 1702 PWs) bands (ev): 3.6167 3.6167 6.6010 6.6010 6.6052 6.6052 9.8899 9.8899 9.9034 9.9034 10.2495 10.2495 10.5115 10.5115 10.5497 10.5497 10.9052 10.9052 11.0107 11.0107 11.3060 11.3060 11.7177 11.7177 11.9177 11.9177 12.1691 12.1691 12.4636 12.4636 12.7920 12.7920 12.8916 12.8916 13.1062 13.1062 13.2999 13.2999 13.7041 13.7041 13.7205 13.7205 13.9427 13.9427 14.5240 14.5240 14.8139 14.8139 15.8406 15.8406 17.1637 17.1637 19.7741 19.7741 19.8197 19.8197 k = 0.1149 0.1909 0.5835 ( 1710 PWs) bands (ev): 3.6506 3.6506 6.5031 6.5031 6.6461 6.6461 9.8135 9.8135 9.9822 9.9822 10.2519 10.2519 10.5203 10.5203 10.5509 10.5509 10.9189 10.9189 11.0238 11.0238 11.3072 11.3072 11.7226 11.7226 11.8849 11.8849 12.1517 12.1517 12.4698 12.4698 12.8008 12.8008 12.9079 12.9079 13.1143 13.1143 13.2954 13.2954 13.6996 13.6996 13.7194 13.7194 13.9406 13.9406 14.4968 14.4968 14.7419 14.7419 15.8915 15.8915 17.2493 17.2493 19.7013 19.7013 19.8362 19.8362 k = 0.1216 0.2021 0.5835 ( 1708 PWs) bands (ev): 3.6865 3.6865 6.4022 6.4022 6.6937 6.6937 9.7344 9.7344 10.0578 10.0578 10.2552 10.2552 10.5195 10.5195 10.5624 10.5624 10.9332 10.9332 11.0382 11.0382 11.3090 11.3090 11.7265 11.7265 11.8517 11.8517 12.1333 12.1333 12.4769 12.4769 12.8101 12.8101 12.9258 12.9258 13.1201 13.1201 13.2903 13.2903 13.6958 13.6958 13.7192 13.7192 13.9383 13.9383 14.4697 14.4697 14.6710 14.6710 15.9452 15.9452 17.3392 17.3392 19.5841 19.5841 19.8969 19.8969 k = 0.1284 0.2134 0.5835 ( 1708 PWs) bands (ev): 3.7245 3.7245 6.3023 6.3023 6.7439 6.7439 9.6527 9.6527 10.1290 10.1290 10.2600 10.2600 10.5137 10.5137 10.5793 10.5793 10.9478 10.9478 11.0532 11.0532 11.3112 11.3112 11.7294 11.7294 11.8183 11.8183 12.1140 12.1140 12.4850 12.4850 12.8199 12.8199 12.9454 12.9454 13.1233 13.1233 13.2844 13.2844 13.6933 13.6933 13.7196 13.7196 13.9359 13.9359 14.4427 14.4427 14.6011 14.6011 16.0017 16.0017 17.4332 17.4332 19.4660 19.4660 19.9589 19.9589 k = 0.1351 0.2246 0.5835 ( 1708 PWs) bands (ev): 3.7644 3.7644 6.2036 6.2036 6.7965 6.7965 9.5687 9.5687 10.1930 10.1930 10.2691 10.2691 10.5061 10.5061 10.5981 10.5981 10.9626 10.9626 11.0690 11.0690 11.3138 11.3138 11.7313 11.7313 11.7847 11.7847 12.0940 12.0940 12.4939 12.4939 12.8302 12.8302 12.9667 12.9667 13.1238 13.1238 13.2778 13.2778 13.6925 13.6925 13.7203 13.7203 13.9333 13.9333 14.4158 14.4158 14.5325 14.5325 16.0610 16.0610 17.5314 17.5314 19.3474 19.3474 20.0221 20.0221 k = 0.1419 0.2358 0.5835 ( 1700 PWs) bands (ev): 3.8064 3.8064 6.1060 6.1060 6.8516 6.8516 9.4828 9.4828 10.2364 10.2364 10.2960 10.2960 10.4978 10.4978 10.6178 10.6178 10.9774 10.9774 11.0854 11.0854 11.3169 11.3169 11.7313 11.7313 11.7520 11.7520 12.0735 12.0735 12.5045 12.5045 12.8412 12.8412 12.9898 12.9898 13.1217 13.1217 13.2704 13.2704 13.6935 13.6935 13.7214 13.7214 13.9307 13.9307 14.3889 14.3889 14.4651 14.4651 16.1231 16.1231 17.6336 17.6336 19.2286 19.2286 20.0866 20.0866 k = 0.1486 0.2470 0.5835 ( 1700 PWs) bands (ev): 3.8503 3.8503 6.0096 6.0096 6.9092 6.9092 9.3951 9.3951 10.2523 10.2523 10.3474 10.3474 10.4890 10.4890 10.6380 10.6380 10.9922 10.9922 11.1025 11.1025 11.3203 11.3203 11.7141 11.7141 11.7353 11.7353 12.0523 12.0523 12.5156 12.5156 12.8525 12.8525 13.0143 13.0143 13.1167 13.1167 13.2620 13.2620 13.6964 13.6964 13.7228 13.7228 13.9281 13.9281 14.3623 14.3623 14.3993 14.3993 16.1878 16.1878 17.7399 17.7399 19.1099 19.1099 20.1524 20.1524 k = 0.1554 0.2583 0.5835 ( 1700 PWs) bands (ev): 3.8962 3.8962 5.9145 5.9145 6.9691 6.9691 9.3059 9.3059 10.2597 10.2597 10.4044 10.4044 10.4799 10.4799 10.6586 10.6586 11.0069 11.0069 11.1199 11.1199 11.3241 11.3241 11.6807 11.6807 11.7338 11.7338 12.0306 12.0306 12.5279 12.5279 12.8642 12.8642 13.0403 13.0403 13.1091 13.1091 13.2527 13.2527 13.7009 13.7009 13.7245 13.7245 13.9256 13.9256 14.3342 14.3342 14.3366 14.3366 16.2551 16.2551 17.8501 17.8501 18.9915 18.9915 20.2195 20.2195 k = 0.1622 0.2695 0.5835 ( 1700 PWs) bands (ev): 3.9440 3.9440 5.8208 5.8208 7.0313 7.0313 9.2156 9.2156 10.2652 10.2652 10.4602 10.4602 10.4708 10.4708 10.6792 10.6792 11.0212 11.0212 11.1378 11.1378 11.3281 11.3281 11.6465 11.6465 11.7326 11.7326 12.0087 12.0087 12.5413 12.5413 12.8764 12.8764 13.0672 13.0672 13.0996 13.0996 13.2426 13.2426 13.7068 13.7068 13.7266 13.7266 13.9233 13.9233 14.2718 14.2718 14.3099 14.3099 16.3249 16.3249 17.9642 17.9642 18.8735 18.8735 20.2879 20.2879 k = 0.1689 0.2807 0.5835 ( 1700 PWs) bands (ev): 3.9937 3.9937 5.7283 5.7283 7.0959 7.0959 9.1243 9.1243 10.2703 10.2703 10.4612 10.4612 10.5138 10.5138 10.6999 10.6999 11.0351 11.0351 11.1559 11.1559 11.3322 11.3322 11.6121 11.6121 11.7310 11.7310 11.9865 11.9865 12.5559 12.5559 12.8891 12.8891 13.0820 13.0820 13.1013 13.1013 13.2319 13.2319 13.7137 13.7137 13.7290 13.7290 13.9215 13.9215 14.2103 14.2103 14.2842 14.2842 16.3973 16.3973 18.0821 18.0821 18.7562 18.7562 20.3575 20.3575 k = 0.1757 0.2920 0.5835 ( 1700 PWs) bands (ev): 4.0454 4.0454 5.6373 5.6373 7.1626 7.1626 9.0322 9.0322 10.2754 10.2754 10.4517 10.4517 10.5642 10.5642 10.7203 10.7203 11.0485 11.0485 11.1740 11.1740 11.3363 11.3363 11.5777 11.5777 11.7293 11.7293 11.9643 11.9643 12.5718 12.5718 12.9021 12.9021 13.0693 13.0693 13.1298 13.1298 13.2205 13.2205 13.7209 13.7209 13.7321 13.7321 13.9203 13.9203 14.1504 14.1504 14.2589 14.2589 16.4722 16.4722 18.2036 18.2036 18.6398 18.6398 20.4283 20.4283 k = 0.1824 0.3032 0.5835 ( 1698 PWs) bands (ev): 4.0990 4.0990 5.5477 5.5477 7.2316 7.2316 8.9396 8.9396 10.2807 10.2807 10.4421 10.4421 10.6116 10.6116 10.7403 10.7403 11.0615 11.0615 11.1922 11.1922 11.3404 11.3404 11.5434 11.5434 11.7275 11.7275 11.9422 11.9422 12.5889 12.5889 12.9156 12.9156 13.0527 13.0527 13.1611 13.1611 13.2092 13.2092 13.7273 13.7273 13.7365 13.7365 13.9200 13.9200 14.0922 14.0922 14.2339 14.2339 16.5494 16.5494 18.3286 18.3287 18.5244 18.5244 20.5003 20.5003 k = 0.1892 0.3144 0.5835 ( 1698 PWs) bands (ev): 4.1545 4.1545 5.4595 5.4595 7.3027 7.3027 8.8467 8.8467 10.2863 10.2863 10.4325 10.4325 10.6557 10.6557 10.7598 10.7598 11.0742 11.0742 11.2102 11.2102 11.3442 11.3442 11.5092 11.5092 11.7258 11.7258 11.9202 11.9202 12.6072 12.6072 12.9294 12.9294 13.0340 13.0340 13.1859 13.1859 13.2053 13.2053 13.7318 13.7318 13.7426 13.7426 13.9207 13.9207 14.0357 14.0357 14.2094 14.2094 16.6291 16.6291 18.4086 18.4086 18.4586 18.4586 20.5734 20.5734 k = 0.1959 0.3257 0.5835 ( 1700 PWs) bands (ev): 4.2119 4.2119 5.3728 5.3728 7.3758 7.3758 8.7537 8.7537 10.2921 10.2921 10.4228 10.4228 10.6963 10.6963 10.7784 10.7784 11.0866 11.0866 11.2278 11.2278 11.3475 11.3475 11.4752 11.4752 11.7245 11.7245 11.8986 11.8986 12.6267 12.6267 12.9435 12.9435 13.0137 13.0137 13.1793 13.1793 13.2338 13.2338 13.7349 13.7349 13.7493 13.7493 13.9223 13.9223 13.9816 13.9816 14.1853 14.1853 16.7111 16.7111 18.2963 18.2963 18.5896 18.5896 20.6473 20.6473 k = 0.2027 0.3369 0.5835 ( 1700 PWs) bands (ev): 4.2711 4.2711 5.2877 5.2877 7.4509 7.4509 8.6607 8.6607 10.2982 10.2982 10.4133 10.4133 10.7332 10.7332 10.7961 10.7961 11.0991 11.0991 11.2449 11.2449 11.3503 11.3503 11.4416 11.4416 11.7238 11.7238 11.8774 11.8774 12.6474 12.6474 12.9578 12.9578 12.9920 12.9920 13.1665 13.1665 13.2695 13.2695 13.7370 13.7370 13.7555 13.7555 13.9170 13.9170 13.9386 13.9386 14.1617 14.1617 16.7953 16.7953 18.1844 18.1844 18.7246 18.7246 20.7169 20.7170 k = 0.2095 0.3481 0.5835 ( 1696 PWs) bands (ev): 4.3323 4.3323 5.2042 5.2042 7.5279 7.5279 8.5680 8.5680 10.3047 10.3047 10.4038 10.4038 10.7662 10.7662 10.8126 10.8126 11.1122 11.1122 11.2614 11.2614 11.3523 11.3523 11.4085 11.4085 11.7242 11.7242 11.8570 11.8570 12.6693 12.6693 12.9671 12.9671 12.9745 12.9745 13.1527 13.1527 13.3071 13.3071 13.7374 13.7374 13.7602 13.7602 13.8754 13.8754 13.9373 13.9373 14.1385 14.1385 16.8818 16.8818 18.0739 18.0739 18.8625 18.8625 20.6023 20.6024 k = 0.2162 0.3593 0.5835 ( 1696 PWs) bands (ev): 4.3952 4.3952 5.1222 5.1222 7.6068 7.6068 8.4757 8.4757 10.3114 10.3114 10.3945 10.3945 10.7947 10.7947 10.8274 10.8274 11.1261 11.1261 11.2769 11.2769 11.3529 11.3529 11.3761 11.3761 11.7257 11.7257 11.8375 11.8375 12.6921 12.6921 12.9445 12.9445 12.9881 12.9881 13.1385 13.1385 13.3461 13.3461 13.7333 13.7333 13.7632 13.7632 13.8328 13.8328 13.9452 13.9452 14.1159 14.1159 16.9705 16.9705 17.9648 17.9648 19.0031 19.0031 20.4662 20.4662 k = 0.2230 0.3706 0.5835 ( 1692 PWs) bands (ev): 4.4600 4.4600 5.0418 5.0418 7.6874 7.6874 8.3840 8.3840 10.3185 10.3185 10.3852 10.3852 10.8186 10.8186 10.8404 10.8404 11.1417 11.1417 11.2914 11.2914 11.3426 11.3426 11.3541 11.3541 11.7288 11.7288 11.8190 11.8190 12.7158 12.7158 12.9198 12.9198 13.0030 13.0030 13.1240 13.1240 13.3865 13.3865 13.7176 13.7176 13.7649 13.7649 13.8022 13.8022 13.9560 13.9560 14.0940 14.0940 17.0613 17.0613 17.8572 17.8572 19.1461 19.1461 20.3250 20.3250 k = 0.2297 0.3818 0.5835 ( 1692 PWs) bands (ev): 4.5266 4.5266 4.9631 4.9631 7.7697 7.7697 8.2930 8.2930 10.3259 10.3259 10.3762 10.3762 10.8373 10.8373 10.8509 10.8509 11.1591 11.1591 11.3046 11.3046 11.3122 11.3122 11.3515 11.3515 11.7335 11.7335 11.8018 11.8018 12.7403 12.7403 12.8945 12.8945 13.0182 13.0182 13.1092 13.1092 13.4278 13.4278 13.6858 13.6858 13.7664 13.7664 13.7876 13.7876 13.9689 13.9689 14.0726 14.0726 17.1541 17.1541 17.7513 17.7513 19.2912 19.2912 20.1801 20.1801 k = 0.2365 0.3930 0.5835 ( 1708 PWs) bands (ev): 4.5950 4.5950 4.8860 4.8860 7.8535 7.8535 8.2029 8.2029 10.3334 10.3334 10.3671 10.3671 10.8507 10.8507 10.8587 10.8587 11.1790 11.1790 11.2822 11.2822 11.3161 11.3161 11.3477 11.3477 11.7400 11.7400 11.7858 11.7858 12.7649 12.7649 12.8687 12.8687 13.0332 13.0332 13.0941 13.0941 13.4700 13.4700 13.6446 13.6446 13.7683 13.7683 13.7813 13.7813 13.9836 13.9836 14.0518 14.0518 17.2490 17.2490 17.6471 17.6471 19.4380 19.4380 20.0328 20.0328 k = 0.2432 0.4043 0.5835 ( 1708 PWs) bands (ev): 4.6652 4.6652 4.8107 4.8107 7.9389 7.9389 8.1138 8.1138 10.3413 10.3413 10.3585 10.3585 10.8592 10.8592 10.8632 10.8632 11.2013 11.2013 11.2536 11.2536 11.3262 11.3262 11.3426 11.3426 11.7486 11.7486 11.7718 11.7718 12.7905 12.7905 12.8428 12.8428 13.0484 13.0484 13.0790 13.0790 13.5134 13.5134 13.6007 13.6007 13.7709 13.7709 13.7777 13.7777 13.9999 13.9999 14.0319 14.0319 17.3459 17.3459 17.5446 17.5446 19.5861 19.5861 19.8842 19.8842 k = 0.2500 0.4155 0.5835 ( 1708 PWs) bands (ev): 4.7370 4.7370 4.7371 4.7371 8.0255 8.0255 8.0259 8.0259 10.3489 10.3489 10.3506 10.3506 10.8629 10.8629 10.8639 10.8639 11.2259 11.2259 11.2269 11.2269 11.3334 11.3334 11.3371 11.3371 11.7587 11.7587 11.7598 11.7598 12.8164 12.8164 12.8169 12.8169 13.0627 13.0627 13.0647 13.0647 13.5549 13.5549 13.5588 13.5588 13.7736 13.7736 13.7749 13.7749 14.0129 14.0129 14.0176 14.0176 17.4436 17.4436 17.4450 17.4450 19.7350 19.7350 19.7351 19.7351 Writing output data file Ni2B.save init_run : 0.20s CPU 0.81s WALL ( 1 calls) electrons : 131.70s CPU 136.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 131.69s CPU 136.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 400 calls) cegterg : 119.87s CPU 122.07s WALL ( 480 calls) Called by sum_band: Called by *egterg: h_psi : 54.33s CPU 56.01s WALL ( 7793 calls) s_psi : 5.59s CPU 5.57s WALL ( 7793 calls) g_psi : 0.10s CPU 0.11s WALL ( 6913 calls) cdiaghg : 59.52s CPU 60.51s WALL ( 7313 calls) cegterg:over : 4.35s CPU 4.25s WALL ( 6913 calls) cegterg:upda : 2.46s CPU 2.56s WALL ( 6913 calls) cegterg:last : 1.66s CPU 1.74s WALL ( 1280 calls) cdiaghg:chol : 3.06s CPU 3.24s WALL ( 7313 calls) cdiaghg:inve : 2.20s CPU 2.29s WALL ( 7313 calls) cdiaghg:para : 3.73s CPU 3.67s WALL ( 14626 calls) Called by h_psi: h_psi:vloc : 42.23s CPU 43.68s WALL ( 7793 calls) h_psi:vnl : 12.00s CPU 12.22s WALL ( 7793 calls) add_vuspsi : 6.56s CPU 6.78s WALL ( 7793 calls) General routines calbec : 5.41s CPU 5.43s WALL ( 7793 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 39.15s CPU 40.45s WALL ( 977356 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.15s WALL ( 800 calls) Parallel routines fft_scatter : 19.30s CPU 20.36s WALL ( 977379 calls) PWSCF : 2m26.70s CPU 3m33.06s WALL This run was terminated on: 15:54:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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