Program PWSCF v.5.1.1 starts on 23Jul2015 at 15:16:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 22 6 1102 411 68 Max 44 23 7 1106 431 73 Sum 1389 731 219 35303 13521 2257 bravais-lattice index = 14 lattice parameter (alat) = 7.7812 a.u. unit-cell volume = 356.6525 (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)= 7.781234 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.265703 celldm(5)= -0.265703 celldm(6)= -0.468594 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.468594 0.883413 0.000000 ) a(3) = ( -0.265703 -0.441707 0.856911 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.530436 0.583491 ) b(2) = ( 0.000000 1.131973 0.583491 ) b(3) = ( 0.000000 0.000000 1.166982 ) PseudoPot. # 1 for Ni read from file: /home/autes/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: /home/autes/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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 401 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0000000 0.0000000 0.0129665), wk = 0.0024938 k( 3) = ( 0.0000000 0.0000000 0.0259329), wk = 0.0024938 k( 4) = ( 0.0000000 0.0000000 0.0388994), wk = 0.0024938 k( 5) = ( 0.0000000 0.0000000 0.0518659), wk = 0.0024938 k( 6) = ( 0.0000000 0.0000000 0.0648323), wk = 0.0024938 k( 7) = ( 0.0000000 0.0000000 0.0777988), wk = 0.0024938 k( 8) = ( 0.0000000 0.0000000 0.0907653), wk = 0.0024938 k( 9) = ( 0.0000000 0.0000000 0.1037317), wk = 0.0024938 k( 10) = ( 0.0000000 0.0000000 0.1166982), wk = 0.0024938 k( 11) = ( 0.0000000 0.0000000 0.1296646), wk = 0.0024938 k( 12) = ( 0.0000000 0.0000000 0.1426311), wk = 0.0024938 k( 13) = ( 0.0000000 0.0000000 0.1555976), wk = 0.0024938 k( 14) = ( 0.0000000 0.0000000 0.1685640), wk = 0.0024938 k( 15) = ( 0.0000000 0.0000000 0.1815305), wk = 0.0024938 k( 16) = ( 0.0000000 0.0000000 0.1944970), wk = 0.0024938 k( 17) = ( 0.0000000 0.0000000 0.2074634), wk = 0.0024938 k( 18) = ( 0.0000000 0.0000000 0.2204299), wk = 0.0024938 k( 19) = ( 0.0000000 0.0000000 0.2333964), wk = 0.0024938 k( 20) = ( 0.0000000 0.0000000 0.2463628), wk = 0.0024938 k( 21) = ( 0.0000000 0.0000000 0.2593293), wk = 0.0024938 k( 22) = ( 0.0000000 0.0000000 0.2722957), wk = 0.0024938 k( 23) = ( 0.0000000 0.0000000 0.2852622), wk = 0.0024938 k( 24) = ( 0.0000000 0.0000000 0.2982287), wk = 0.0024938 k( 25) = ( 0.0000000 0.0000000 0.3111951), wk = 0.0024938 k( 26) = ( 0.0000000 0.0000000 0.3241616), wk = 0.0024938 k( 27) = ( 0.0000000 0.0000000 0.3371281), wk = 0.0024938 k( 28) = ( 0.0000000 0.0000000 0.3500945), wk = 0.0024938 k( 29) = ( 0.0000000 0.0000000 0.3630610), wk = 0.0024938 k( 30) = ( 0.0000000 0.0000000 0.3760275), wk = 0.0024938 k( 31) = ( 0.0000000 0.0000000 0.3889939), wk = 0.0024938 k( 32) = ( 0.0000000 0.0000000 0.4019604), wk = 0.0024938 k( 33) = ( 0.0000000 0.0000000 0.4149269), wk = 0.0024938 k( 34) = ( 0.0000000 0.0000000 0.4278933), wk = 0.0024938 k( 35) = ( 0.0000000 0.0000000 0.4408598), wk = 0.0024938 k( 36) = ( 0.0000000 0.0000000 0.4538262), wk = 0.0024938 k( 37) = ( 0.0000000 0.0000000 0.4667927), wk = 0.0024938 k( 38) = ( 0.0000000 0.0000000 0.4797592), wk = 0.0024938 k( 39) = ( 0.0000000 0.0000000 0.4927256), wk = 0.0024938 k( 40) = ( 0.0000000 0.0000000 0.5056921), wk = 0.0024938 k( 41) = ( 0.0000000 0.0000000 0.5186586), wk = 0.0024938 k( 42) = ( 0.0000000 0.0000000 0.5316250), wk = 0.0024938 k( 43) = ( 0.0000000 0.0000000 0.5445915), wk = 0.0024938 k( 44) = ( 0.0000000 0.0000000 0.5575580), wk = 0.0024938 k( 45) = ( 0.0000000 0.0000000 0.5705244), wk = 0.0024938 k( 46) = ( 0.0000000 0.0000000 0.5834909), wk = 0.0024938 k( 47) = ( 0.0000000 0.0000000 0.5834909), wk = 0.0024938 k( 48) = ( -0.0111111 0.0066837 0.5834909), wk = 0.0024938 k( 49) = ( -0.0222222 0.0133675 0.5834909), wk = 0.0024938 k( 50) = ( -0.0333333 0.0200512 0.5834909), wk = 0.0024938 k( 51) = ( -0.0444444 0.0267350 0.5834909), wk = 0.0024938 k( 52) = ( -0.0555556 0.0334187 0.5834909), wk = 0.0024938 k( 53) = ( -0.0666667 0.0401025 0.5834909), wk = 0.0024938 k( 54) = ( -0.0777778 0.0467862 0.5834909), wk = 0.0024938 k( 55) = ( -0.0888889 0.0534699 0.5834909), wk = 0.0024938 k( 56) = ( -0.1000000 0.0601537 0.5834909), wk = 0.0024938 k( 57) = ( -0.1111111 0.0668374 0.5834909), wk = 0.0024938 k( 58) = ( -0.1222222 0.0735212 0.5834909), wk = 0.0024938 k( 59) = ( -0.1333333 0.0802049 0.5834909), wk = 0.0024938 k( 60) = ( -0.1444444 0.0868886 0.5834909), wk = 0.0024938 k( 61) = ( -0.1555556 0.0935724 0.5834909), wk = 0.0024938 k( 62) = ( -0.1666667 0.1002561 0.5834909), wk = 0.0024938 k( 63) = ( -0.1777778 0.1069399 0.5834909), wk = 0.0024938 k( 64) = ( -0.1888889 0.1136236 0.5834909), wk = 0.0024938 k( 65) = ( -0.2000000 0.1203073 0.5834909), wk = 0.0024938 k( 66) = ( -0.2111111 0.1269911 0.5834909), wk = 0.0024938 k( 67) = ( -0.2222222 0.1336748 0.5834909), wk = 0.0024938 k( 68) = ( -0.2333333 0.1403586 0.5834909), wk = 0.0024938 k( 69) = ( -0.2444444 0.1470423 0.5834909), wk = 0.0024938 k( 70) = ( -0.2555556 0.1537261 0.5834909), wk = 0.0024938 k( 71) = ( -0.2666667 0.1604098 0.5834909), wk = 0.0024938 k( 72) = ( -0.2777778 0.1670935 0.5834909), wk = 0.0024938 k( 73) = ( -0.2888889 0.1737773 0.5834909), wk = 0.0024938 k( 74) = ( -0.3000000 0.1804610 0.5834909), wk = 0.0024938 k( 75) = ( -0.3111111 0.1871448 0.5834909), wk = 0.0024938 k( 76) = ( -0.3222222 0.1938285 0.5834909), wk = 0.0024938 k( 77) = ( -0.3333333 0.2005122 0.5834909), wk = 0.0024938 k( 78) = ( -0.3444444 0.2071960 0.5834909), wk = 0.0024938 k( 79) = ( -0.3555556 0.2138797 0.5834909), wk = 0.0024938 k( 80) = ( -0.3666667 0.2205635 0.5834909), wk = 0.0024938 k( 81) = ( -0.3777778 0.2272472 0.5834909), wk = 0.0024938 k( 82) = ( -0.3888889 0.2339310 0.5834909), wk = 0.0024938 k( 83) = ( -0.4000000 0.2406147 0.5834909), wk = 0.0024938 k( 84) = ( -0.4111111 0.2472984 0.5834909), wk = 0.0024938 k( 85) = ( -0.4222222 0.2539822 0.5834909), wk = 0.0024938 k( 86) = ( -0.4333333 0.2606659 0.5834909), wk = 0.0024938 k( 87) = ( -0.4444444 0.2673497 0.5834909), wk = 0.0024938 k( 88) = ( -0.4555556 0.2740334 0.5834909), wk = 0.0024938 k( 89) = ( -0.4666667 0.2807171 0.5834909), wk = 0.0024938 k( 90) = ( -0.4777778 0.2874009 0.5834909), wk = 0.0024938 k( 91) = ( -0.4888889 0.2940846 0.5834909), wk = 0.0024938 k( 92) = ( -0.5000000 0.3007684 0.5834909), wk = 0.0024938 k( 93) = ( -0.5000000 0.3007684 0.5834909), wk = 0.0024938 k( 94) = ( -0.4920635 0.2959943 0.5742291), wk = 0.0024938 k( 95) = ( -0.4841270 0.2912202 0.5649674), wk = 0.0024938 k( 96) = ( -0.4761905 0.2864461 0.5557056), wk = 0.0024938 k( 97) = ( -0.4682540 0.2816720 0.5464438), wk = 0.0024938 k( 98) = ( -0.4603175 0.2768979 0.5371821), wk = 0.0024938 k( 99) = ( -0.4523810 0.2721238 0.5279203), wk = 0.0024938 k( 100) = ( -0.4444444 0.2673497 0.5186586), wk = 0.0024938 k( 101) = ( -0.4365079 0.2625756 0.5093968), wk = 0.0024938 k( 102) = ( -0.4285714 0.2578015 0.5001350), wk = 0.0024938 k( 103) = ( -0.4206349 0.2530274 0.4908733), wk = 0.0024938 k( 104) = ( -0.4126984 0.2482533 0.4816115), wk = 0.0024938 k( 105) = ( -0.4047619 0.2434792 0.4723498), wk = 0.0024938 k( 106) = ( -0.3968254 0.2387051 0.4630880), wk = 0.0024938 k( 107) = ( -0.3888889 0.2339310 0.4538262), wk = 0.0024938 k( 108) = ( -0.3809524 0.2291568 0.4445645), wk = 0.0024938 k( 109) = ( -0.3730159 0.2243827 0.4353027), wk = 0.0024938 k( 110) = ( -0.3650794 0.2196087 0.4260410), wk = 0.0024938 k( 111) = ( -0.3571429 0.2148345 0.4167792), wk = 0.0024938 k( 112) = ( -0.3492063 0.2100604 0.4075174), wk = 0.0024938 k( 113) = ( -0.3412698 0.2052863 0.3982557), wk = 0.0024938 k( 114) = ( -0.3333333 0.2005122 0.3889939), wk = 0.0024938 k( 115) = ( -0.3253968 0.1957381 0.3797322), wk = 0.0024938 k( 116) = ( -0.3174603 0.1909640 0.3704704), wk = 0.0024938 k( 117) = ( -0.3095238 0.1861899 0.3612086), wk = 0.0024938 k( 118) = ( -0.3015873 0.1814158 0.3519469), wk = 0.0024938 k( 119) = ( -0.2936508 0.1766417 0.3426851), wk = 0.0024938 k( 120) = ( -0.2857143 0.1718676 0.3334234), wk = 0.0024938 k( 121) = ( -0.2777778 0.1670935 0.3241616), wk = 0.0024938 k( 122) = ( -0.2698413 0.1623194 0.3148998), wk = 0.0024938 k( 123) = ( -0.2619048 0.1575453 0.3056381), wk = 0.0024938 k( 124) = ( -0.2539683 0.1527712 0.2963763), wk = 0.0024938 k( 125) = ( -0.2460317 0.1479971 0.2871146), wk = 0.0024938 k( 126) = ( -0.2380952 0.1432230 0.2778528), wk = 0.0024938 k( 127) = ( -0.2301587 0.1384489 0.2685910), wk = 0.0024938 k( 128) = ( -0.2222222 0.1336748 0.2593293), wk = 0.0024938 k( 129) = ( -0.2142857 0.1289007 0.2500675), wk = 0.0024938 k( 130) = ( -0.2063492 0.1241266 0.2408058), wk = 0.0024938 k( 131) = ( -0.1984127 0.1193525 0.2315440), wk = 0.0024938 k( 132) = ( -0.1904762 0.1145784 0.2222822), wk = 0.0024938 k( 133) = ( -0.1825397 0.1098043 0.2130205), wk = 0.0024938 k( 134) = ( -0.1746032 0.1050302 0.2037587), wk = 0.0024938 k( 135) = ( -0.1666667 0.1002561 0.1944970), wk = 0.0024938 k( 136) = ( -0.1587302 0.0954820 0.1852352), wk = 0.0024938 k( 137) = ( -0.1507937 0.0907079 0.1759734), wk = 0.0024938 k( 138) = ( -0.1428571 0.0859338 0.1667117), wk = 0.0024938 k( 139) = ( -0.1349206 0.0811597 0.1574499), wk = 0.0024938 k( 140) = ( -0.1269841 0.0763856 0.1481882), wk = 0.0024938 k( 141) = ( -0.1190476 0.0716115 0.1389264), wk = 0.0024938 k( 142) = ( -0.1111111 0.0668374 0.1296646), wk = 0.0024938 k( 143) = ( -0.1031746 0.0620633 0.1204029), wk = 0.0024938 k( 144) = ( -0.0952381 0.0572892 0.1111411), wk = 0.0024938 k( 145) = ( -0.0873016 0.0525151 0.1018794), wk = 0.0024938 k( 146) = ( -0.0793651 0.0477410 0.0926176), wk = 0.0024938 k( 147) = ( -0.0714286 0.0429669 0.0833558), wk = 0.0024938 k( 148) = ( -0.0634921 0.0381928 0.0740941), wk = 0.0024938 k( 149) = ( -0.0555556 0.0334187 0.0648323), wk = 0.0024938 k( 150) = ( -0.0476191 0.0286446 0.0555706), wk = 0.0024938 k( 151) = ( -0.0396825 0.0238705 0.0463088), wk = 0.0024938 k( 152) = ( -0.0317460 0.0190964 0.0370470), wk = 0.0024938 k( 153) = ( -0.0238095 0.0143223 0.0277853), wk = 0.0024938 k( 154) = ( -0.0158730 0.0095482 0.0185235), wk = 0.0024938 k( 155) = ( -0.0079365 0.0047741 0.0092618), wk = 0.0024938 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 158) = ( 0.0067332 0.0111933 0.0000000), wk = 0.0024938 k( 159) = ( 0.0134664 0.0223866 0.0000000), wk = 0.0024938 k( 160) = ( 0.0201995 0.0335799 0.0000000), wk = 0.0024938 k( 161) = ( 0.0269327 0.0447732 0.0000000), wk = 0.0024938 k( 162) = ( 0.0336659 0.0559665 0.0000000), wk = 0.0024938 k( 163) = ( 0.0403990 0.0671597 0.0000000), wk = 0.0024938 k( 164) = ( 0.0471322 0.0783530 0.0000000), wk = 0.0024938 k( 165) = ( 0.0538654 0.0895463 0.0000000), wk = 0.0024938 k( 166) = ( 0.0605986 0.1007396 0.0000000), wk = 0.0024938 k( 167) = ( 0.0673317 0.1119329 0.0000000), wk = 0.0024938 k( 168) = ( 0.0740649 0.1231262 0.0000000), wk = 0.0024938 k( 169) = ( 0.0807981 0.1343195 0.0000000), wk = 0.0024938 k( 170) = ( 0.0875313 0.1455128 0.0000000), wk = 0.0024938 k( 171) = ( 0.0942644 0.1567061 0.0000000), wk = 0.0024938 k( 172) = ( 0.1009976 0.1678994 0.0000000), wk = 0.0024938 k( 173) = ( 0.1077308 0.1790926 0.0000000), wk = 0.0024938 k( 174) = ( 0.1144640 0.1902859 0.0000000), wk = 0.0024938 k( 175) = ( 0.1211972 0.2014792 0.0000000), wk = 0.0024938 k( 176) = ( 0.1279303 0.2126725 0.0000000), wk = 0.0024938 k( 177) = ( 0.1346635 0.2238658 0.0000000), wk = 0.0024938 k( 178) = ( 0.1413967 0.2350591 0.0000000), wk = 0.0024938 k( 179) = ( 0.1481299 0.2462524 0.0000000), wk = 0.0024938 k( 180) = ( 0.1548630 0.2574457 0.0000000), wk = 0.0024938 k( 181) = ( 0.1615962 0.2686390 0.0000000), wk = 0.0024938 k( 182) = ( 0.1683294 0.2798323 0.0000000), wk = 0.0024938 k( 183) = ( 0.1750626 0.2910256 0.0000000), wk = 0.0024938 k( 184) = ( 0.1817957 0.3022188 0.0000000), wk = 0.0024938 k( 185) = ( 0.1885289 0.3134121 0.0000000), wk = 0.0024938 k( 186) = ( 0.1952621 0.3246054 0.0000000), wk = 0.0024938 k( 187) = ( 0.2019953 0.3357987 0.0000000), wk = 0.0024938 k( 188) = ( 0.2087284 0.3469920 0.0000000), wk = 0.0024938 k( 189) = ( 0.2154616 0.3581853 0.0000000), wk = 0.0024938 k( 190) = ( 0.2221948 0.3693786 0.0000000), wk = 0.0024938 k( 191) = ( 0.2289280 0.3805719 0.0000000), wk = 0.0024938 k( 192) = ( 0.2356611 0.3917652 0.0000000), wk = 0.0024938 k( 193) = ( 0.2423943 0.4029585 0.0000000), wk = 0.0024938 k( 194) = ( 0.2491275 0.4141518 0.0000000), wk = 0.0024938 k( 195) = ( 0.2558607 0.4253450 0.0000000), wk = 0.0024938 k( 196) = ( 0.2625938 0.4365383 0.0000000), wk = 0.0024938 k( 197) = ( 0.2693270 0.4477316 0.0000000), wk = 0.0024938 k( 198) = ( 0.2760602 0.4589249 0.0000000), wk = 0.0024938 k( 199) = ( 0.2827934 0.4701182 0.0000000), wk = 0.0024938 k( 200) = ( 0.2895265 0.4813115 0.0000000), wk = 0.0024938 k( 201) = ( 0.2962597 0.4925048 0.0000000), wk = 0.0024938 k( 202) = ( 0.3029929 0.5036981 0.0000000), wk = 0.0024938 k( 203) = ( 0.3097261 0.5148914 0.0000000), wk = 0.0024938 k( 204) = ( 0.3164592 0.5260846 0.0000000), wk = 0.0024938 k( 205) = ( 0.3231924 0.5372779 0.0000000), wk = 0.0024938 k( 206) = ( 0.3299256 0.5484712 0.0000000), wk = 0.0024938 k( 207) = ( 0.3366588 0.5596645 0.0000000), wk = 0.0024938 k( 208) = ( 0.3433919 0.5708578 0.0000000), wk = 0.0024938 k( 209) = ( 0.3501251 0.5820511 0.0000000), wk = 0.0024938 k( 210) = ( 0.3568583 0.5932444 0.0000000), wk = 0.0024938 k( 211) = ( 0.3635915 0.6044377 0.0000000), wk = 0.0024938 k( 212) = ( 0.3703246 0.6156310 0.0000000), wk = 0.0024938 k( 213) = ( 0.3770578 0.6268243 0.0000000), wk = 0.0024938 k( 214) = ( 0.3837910 0.6380175 0.0000000), wk = 0.0024938 k( 215) = ( 0.3905242 0.6492108 0.0000000), wk = 0.0024938 k( 216) = ( 0.3972573 0.6604041 0.0000000), wk = 0.0024938 k( 217) = ( 0.4039905 0.6715974 0.0000000), wk = 0.0024938 k( 218) = ( 0.4107237 0.6827907 0.0000000), wk = 0.0024938 k( 219) = ( 0.4174569 0.6939840 0.0000000), wk = 0.0024938 k( 220) = ( 0.4241900 0.7051773 0.0000000), wk = 0.0024938 k( 221) = ( 0.4309232 0.7163706 0.0000000), wk = 0.0024938 k( 222) = ( 0.4309232 0.7163706 0.0000000), wk = 0.0024938 k( 223) = ( 0.4274439 0.7105866 0.0112210), wk = 0.0024938 k( 224) = ( 0.4239646 0.7048026 0.0224420), wk = 0.0024938 k( 225) = ( 0.4204853 0.6990186 0.0336629), wk = 0.0024938 k( 226) = ( 0.4170061 0.6932346 0.0448839), wk = 0.0024938 k( 227) = ( 0.4135268 0.6874506 0.0561049), wk = 0.0024938 k( 228) = ( 0.4100475 0.6816665 0.0673259), wk = 0.0024938 k( 229) = ( 0.4065682 0.6758825 0.0785468), wk = 0.0024938 k( 230) = ( 0.4030889 0.6700985 0.0897678), wk = 0.0024938 k( 231) = ( 0.3996096 0.6643145 0.1009888), wk = 0.0024938 k( 232) = ( 0.3961303 0.6585305 0.1122098), wk = 0.0024938 k( 233) = ( 0.3926510 0.6527465 0.1234308), wk = 0.0024938 k( 234) = ( 0.3891717 0.6469625 0.1346517), wk = 0.0024938 k( 235) = ( 0.3856924 0.6411785 0.1458727), wk = 0.0024938 k( 236) = ( 0.3822131 0.6353945 0.1570937), wk = 0.0024938 k( 237) = ( 0.3787338 0.6296105 0.1683147), wk = 0.0024938 k( 238) = ( 0.3752545 0.6238265 0.1795357), wk = 0.0024938 k( 239) = ( 0.3717752 0.6180425 0.1907566), wk = 0.0024938 k( 240) = ( 0.3682959 0.6122585 0.2019776), wk = 0.0024938 k( 241) = ( 0.3648167 0.6064745 0.2131986), wk = 0.0024938 k( 242) = ( 0.3613374 0.6006905 0.2244196), wk = 0.0024938 k( 243) = ( 0.3578581 0.5949064 0.2356405), wk = 0.0024938 k( 244) = ( 0.3543788 0.5891224 0.2468615), wk = 0.0024938 k( 245) = ( 0.3508995 0.5833384 0.2580825), wk = 0.0024938 k( 246) = ( 0.3474202 0.5775544 0.2693035), wk = 0.0024938 k( 247) = ( 0.3439409 0.5717704 0.2805245), wk = 0.0024938 k( 248) = ( 0.3404616 0.5659864 0.2917454), wk = 0.0024938 k( 249) = ( 0.3369823 0.5602024 0.3029664), wk = 0.0024938 k( 250) = ( 0.3335030 0.5544184 0.3141874), wk = 0.0024938 k( 251) = ( 0.3300237 0.5486344 0.3254084), wk = 0.0024938 k( 252) = ( 0.3265444 0.5428504 0.3366294), wk = 0.0024938 k( 253) = ( 0.3230652 0.5370664 0.3478503), wk = 0.0024938 k( 254) = ( 0.3195859 0.5312824 0.3590713), wk = 0.0024938 k( 255) = ( 0.3161066 0.5254984 0.3702923), wk = 0.0024938 k( 256) = ( 0.3126273 0.5197143 0.3815133), wk = 0.0024938 k( 257) = ( 0.3091480 0.5139303 0.3927343), wk = 0.0024938 k( 258) = ( 0.3056687 0.5081463 0.4039552), wk = 0.0024938 k( 259) = ( 0.3021894 0.5023623 0.4151762), wk = 0.0024938 k( 260) = ( 0.2987101 0.4965783 0.4263972), wk = 0.0024938 k( 261) = ( 0.2952308 0.4907943 0.4376182), wk = 0.0024938 k( 262) = ( 0.2917515 0.4850103 0.4488391), wk = 0.0024938 k( 263) = ( 0.2882722 0.4792263 0.4600601), wk = 0.0024938 k( 264) = ( 0.2847929 0.4734423 0.4712811), wk = 0.0024938 k( 265) = ( 0.2813136 0.4676583 0.4825021), wk = 0.0024938 k( 266) = ( 0.2778343 0.4618743 0.4937231), wk = 0.0024938 k( 267) = ( 0.2743550 0.4560903 0.5049440), wk = 0.0024938 k( 268) = ( 0.2708758 0.4503063 0.5161650), wk = 0.0024938 k( 269) = ( 0.2673965 0.4445222 0.5273860), wk = 0.0024938 k( 270) = ( 0.2639172 0.4387382 0.5386070), wk = 0.0024938 k( 271) = ( 0.2604379 0.4329542 0.5498280), wk = 0.0024938 k( 272) = ( 0.2569586 0.4271702 0.5610489), wk = 0.0024938 k( 273) = ( 0.2534793 0.4213862 0.5722699), wk = 0.0024938 k( 274) = ( 0.2500000 0.4156022 0.5834909), wk = 0.0024938 k( 275) = ( 0.2500000 0.4156022 0.5834909), wk = 0.0024938 k( 276) = ( 0.2421875 0.4203017 0.5743738), wk = 0.0024938 k( 277) = ( 0.2343750 0.4250012 0.5652568), wk = 0.0024938 k( 278) = ( 0.2265625 0.4297007 0.5561397), wk = 0.0024938 k( 279) = ( 0.2187500 0.4344002 0.5470227), wk = 0.0024938 k( 280) = ( 0.2109375 0.4390997 0.5379057), wk = 0.0024938 k( 281) = ( 0.2031250 0.4437993 0.5287886), wk = 0.0024938 k( 282) = ( 0.1953125 0.4484988 0.5196716), wk = 0.0024938 k( 283) = ( 0.1875000 0.4531983 0.5105545), wk = 0.0024938 k( 284) = ( 0.1796875 0.4578978 0.5014375), wk = 0.0024938 k( 285) = ( 0.1718750 0.4625973 0.4923204), wk = 0.0024938 k( 286) = ( 0.1640625 0.4672968 0.4832034), wk = 0.0024938 k( 287) = ( 0.1562500 0.4719963 0.4740863), wk = 0.0024938 k( 288) = ( 0.1484375 0.4766958 0.4649693), wk = 0.0024938 k( 289) = ( 0.1406250 0.4813953 0.4558523), wk = 0.0024938 k( 290) = ( 0.1328125 0.4860948 0.4467352), wk = 0.0024938 k( 291) = ( 0.1250000 0.4907943 0.4376182), wk = 0.0024938 k( 292) = ( 0.1171875 0.4954938 0.4285011), wk = 0.0024938 k( 293) = ( 0.1093750 0.5001933 0.4193841), wk = 0.0024938 k( 294) = ( 0.1015625 0.5048928 0.4102670), wk = 0.0024938 k( 295) = ( 0.0937500 0.5095923 0.4011500), wk = 0.0024938 k( 296) = ( 0.0859375 0.5142918 0.3920329), wk = 0.0024938 k( 297) = ( 0.0781250 0.5189913 0.3829159), wk = 0.0024938 k( 298) = ( 0.0703125 0.5236909 0.3737988), wk = 0.0024938 k( 299) = ( 0.0625000 0.5283904 0.3646818), wk = 0.0024938 k( 300) = ( 0.0546875 0.5330899 0.3555648), wk = 0.0024938 k( 301) = ( 0.0468750 0.5377894 0.3464477), wk = 0.0024938 k( 302) = ( 0.0390625 0.5424889 0.3373307), wk = 0.0024938 k( 303) = ( 0.0312500 0.5471884 0.3282136), wk = 0.0024938 k( 304) = ( 0.0234375 0.5518879 0.3190966), wk = 0.0024938 k( 305) = ( 0.0156250 0.5565874 0.3099795), wk = 0.0024938 k( 306) = ( 0.0078125 0.5612869 0.3008625), wk = 0.0024938 k( 307) = ( 0.0000000 0.5659864 0.2917454), wk = 0.0024938 k( 308) = ( 0.0000000 0.5659864 0.2917454), wk = 0.0024938 k( 309) = ( -0.0102601 0.5624058 0.2986918), wk = 0.0024938 k( 310) = ( -0.0205202 0.5588253 0.3056381), wk = 0.0024938 k( 311) = ( -0.0307802 0.5552447 0.3125844), wk = 0.0024938 k( 312) = ( -0.0410403 0.5516641 0.3195307), wk = 0.0024938 k( 313) = ( -0.0513004 0.5480835 0.3264770), wk = 0.0024938 k( 314) = ( -0.0615605 0.5445029 0.3334234), wk = 0.0024938 k( 315) = ( -0.0718205 0.5409224 0.3403697), wk = 0.0024938 k( 316) = ( -0.0820806 0.5373418 0.3473160), wk = 0.0024938 k( 317) = ( -0.0923407 0.5337612 0.3542623), wk = 0.0024938 k( 318) = ( -0.1026008 0.5301806 0.3612086), wk = 0.0024938 k( 319) = ( -0.1128608 0.5266001 0.3681550), wk = 0.0024938 k( 320) = ( -0.1231209 0.5230195 0.3751013), wk = 0.0024938 k( 321) = ( -0.1333810 0.5194389 0.3820476), wk = 0.0024938 k( 322) = ( -0.1436411 0.5158583 0.3889939), wk = 0.0024938 k( 323) = ( -0.1539011 0.5122778 0.3959402), wk = 0.0024938 k( 324) = ( -0.1641612 0.5086972 0.4028866), wk = 0.0024938 k( 325) = ( -0.1744213 0.5051166 0.4098329), wk = 0.0024938 k( 326) = ( -0.1846814 0.5015360 0.4167792), wk = 0.0024938 k( 327) = ( -0.1949415 0.4979555 0.4237255), wk = 0.0024938 k( 328) = ( -0.2052015 0.4943749 0.4306718), wk = 0.0024938 k( 329) = ( -0.2154616 0.4907943 0.4376182), wk = 0.0024938 k( 330) = ( -0.2257217 0.4872137 0.4445645), wk = 0.0024938 k( 331) = ( -0.2359818 0.4836332 0.4515108), wk = 0.0024938 k( 332) = ( -0.2462418 0.4800526 0.4584571), wk = 0.0024938 k( 333) = ( -0.2565019 0.4764720 0.4654034), wk = 0.0024938 k( 334) = ( -0.2667620 0.4728914 0.4723498), wk = 0.0024938 k( 335) = ( -0.2770221 0.4693109 0.4792961), wk = 0.0024938 k( 336) = ( -0.2872822 0.4657303 0.4862424), wk = 0.0024938 k( 337) = ( -0.2975422 0.4621497 0.4931887), wk = 0.0024938 k( 338) = ( -0.3078023 0.4585691 0.5001350), wk = 0.0024938 k( 339) = ( -0.3180624 0.4549885 0.5070814), wk = 0.0024938 k( 340) = ( -0.3283224 0.4514080 0.5140277), wk = 0.0024938 k( 341) = ( -0.3385825 0.4478274 0.5209740), wk = 0.0024938 k( 342) = ( -0.3488426 0.4442468 0.5279203), wk = 0.0024938 k( 343) = ( -0.3591027 0.4406662 0.5348666), wk = 0.0024938 k( 344) = ( -0.3693628 0.4370857 0.5418130), wk = 0.0024938 k( 345) = ( -0.3796228 0.4335051 0.5487593), wk = 0.0024938 k( 346) = ( -0.3898829 0.4299245 0.5557056), wk = 0.0024938 k( 347) = ( -0.4001430 0.4263440 0.5626519), wk = 0.0024938 k( 348) = ( -0.4104031 0.4227634 0.5695982), wk = 0.0024938 k( 349) = ( -0.4206631 0.4191828 0.5765446), wk = 0.0024938 k( 350) = ( -0.4309232 0.4156022 0.5834909), wk = 0.0024938 k( 351) = ( -0.4309232 0.4156022 0.5834909), wk = 0.0024938 k( 352) = ( -0.4372029 0.4051628 0.5834909), wk = 0.0024938 k( 353) = ( -0.4434826 0.3947233 0.5834909), wk = 0.0024938 k( 354) = ( -0.4497623 0.3842839 0.5834909), wk = 0.0024938 k( 355) = ( -0.4560420 0.3738445 0.5834909), wk = 0.0024938 k( 356) = ( -0.4623218 0.3634050 0.5834909), wk = 0.0024938 k( 357) = ( -0.4686015 0.3529656 0.5834909), wk = 0.0024938 k( 358) = ( -0.4748812 0.3425261 0.5834909), wk = 0.0024938 k( 359) = ( -0.4811609 0.3320867 0.5834909), wk = 0.0024938 k( 360) = ( -0.4874406 0.3216472 0.5834909), wk = 0.0024938 k( 361) = ( -0.4937203 0.3112078 0.5834909), wk = 0.0024938 k( 362) = ( -0.5000000 0.3007684 0.5834909), wk = 0.0024938 k( 363) = ( 0.0000000 0.0000000 0.5834909), wk = 0.0024938 k( 364) = ( 0.0065790 0.0109369 0.5834909), wk = 0.0024938 k( 365) = ( 0.0131579 0.0218738 0.5834909), wk = 0.0024938 k( 366) = ( 0.0197368 0.0328107 0.5834909), wk = 0.0024938 k( 367) = ( 0.0263158 0.0437476 0.5834909), wk = 0.0024938 k( 368) = ( 0.0328947 0.0546845 0.5834909), wk = 0.0024938 k( 369) = ( 0.0394737 0.0656214 0.5834909), wk = 0.0024938 k( 370) = ( 0.0460526 0.0765583 0.5834909), wk = 0.0024938 k( 371) = ( 0.0526316 0.0874952 0.5834909), wk = 0.0024938 k( 372) = ( 0.0592105 0.0984321 0.5834909), wk = 0.0024938 k( 373) = ( 0.0657895 0.1093690 0.5834909), wk = 0.0024938 k( 374) = ( 0.0723684 0.1203059 0.5834909), wk = 0.0024938 k( 375) = ( 0.0789474 0.1312428 0.5834909), wk = 0.0024938 k( 376) = ( 0.0855263 0.1421797 0.5834909), wk = 0.0024938 k( 377) = ( 0.0921053 0.1531166 0.5834909), wk = 0.0024938 k( 378) = ( 0.0986842 0.1640535 0.5834909), wk = 0.0024938 k( 379) = ( 0.1052632 0.1749904 0.5834909), wk = 0.0024938 k( 380) = ( 0.1118421 0.1859273 0.5834909), wk = 0.0024938 k( 381) = ( 0.1184210 0.1968642 0.5834909), wk = 0.0024938 k( 382) = ( 0.1250000 0.2078011 0.5834909), wk = 0.0024938 k( 383) = ( 0.1315790 0.2187380 0.5834909), wk = 0.0024938 k( 384) = ( 0.1381579 0.2296749 0.5834909), wk = 0.0024938 k( 385) = ( 0.1447368 0.2406118 0.5834909), wk = 0.0024938 k( 386) = ( 0.1513158 0.2515487 0.5834909), wk = 0.0024938 k( 387) = ( 0.1578947 0.2624856 0.5834909), wk = 0.0024938 k( 388) = ( 0.1644737 0.2734225 0.5834909), wk = 0.0024938 k( 389) = ( 0.1710526 0.2843594 0.5834909), wk = 0.0024938 k( 390) = ( 0.1776316 0.2952963 0.5834909), wk = 0.0024938 k( 391) = ( 0.1842105 0.3062332 0.5834909), wk = 0.0024938 k( 392) = ( 0.1907895 0.3171701 0.5834909), wk = 0.0024938 k( 393) = ( 0.1973684 0.3281070 0.5834909), wk = 0.0024938 k( 394) = ( 0.2039474 0.3390439 0.5834909), wk = 0.0024938 k( 395) = ( 0.2105263 0.3499808 0.5834909), wk = 0.0024938 k( 396) = ( 0.2171053 0.3609177 0.5834909), wk = 0.0024938 k( 397) = ( 0.2236842 0.3718546 0.5834909), wk = 0.0024938 k( 398) = ( 0.2302632 0.3827915 0.5834909), wk = 0.0024938 k( 399) = ( 0.2368421 0.3937284 0.5834909), wk = 0.0024938 k( 400) = ( 0.2434210 0.4046653 0.5834909), wk = 0.0024938 k( 401) = ( 0.2500000 0.4156022 0.5834909), wk = 0.0024938 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0024938 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0024938 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0024938 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0024938 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024938 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0024938 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0024938 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0024938 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024938 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024938 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0024938 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0024938 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0024938 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0024938 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024938 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0024938 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0024938 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024938 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0024938 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024938 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0024938 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0024938 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0024938 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0024938 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024938 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0024938 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024938 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0024938 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0024938 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024938 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0024938 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0024938 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0024938 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0024938 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024938 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024938 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0024938 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0024938 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0024938 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024938 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0024938 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0024938 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0024938 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0024938 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 48) = ( -0.0111111 0.0111111 0.5000000), wk = 0.0024938 k( 49) = ( -0.0222222 0.0222222 0.5000000), wk = 0.0024938 k( 50) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0024938 k( 51) = ( -0.0444444 0.0444444 0.5000000), wk = 0.0024938 k( 52) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0024938 k( 53) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0024938 k( 54) = ( -0.0777778 0.0777778 0.5000000), wk = 0.0024938 k( 55) = ( -0.0888889 0.0888889 0.5000000), wk = 0.0024938 k( 56) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0024938 k( 57) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0024938 k( 58) = ( -0.1222222 0.1222222 0.5000000), wk = 0.0024938 k( 59) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0024938 k( 60) = ( -0.1444444 0.1444444 0.5000000), wk = 0.0024938 k( 61) = ( -0.1555556 0.1555556 0.5000000), wk = 0.0024938 k( 62) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024938 k( 63) = ( -0.1777778 0.1777778 0.5000000), wk = 0.0024938 k( 64) = ( -0.1888889 0.1888889 0.5000000), wk = 0.0024938 k( 65) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0024938 k( 66) = ( -0.2111111 0.2111111 0.5000000), wk = 0.0024938 k( 67) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0024938 k( 68) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0024938 k( 69) = ( -0.2444444 0.2444444 0.5000000), wk = 0.0024938 k( 70) = ( -0.2555556 0.2555556 0.5000000), wk = 0.0024938 k( 71) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0024938 k( 72) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0024938 k( 73) = ( -0.2888889 0.2888889 0.5000000), wk = 0.0024938 k( 74) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0024938 k( 75) = ( -0.3111111 0.3111111 0.5000000), wk = 0.0024938 k( 76) = ( -0.3222222 0.3222222 0.5000000), wk = 0.0024938 k( 77) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024938 k( 78) = ( -0.3444444 0.3444444 0.5000000), wk = 0.0024938 k( 79) = ( -0.3555556 0.3555556 0.5000000), wk = 0.0024938 k( 80) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0024938 k( 81) = ( -0.3777778 0.3777778 0.5000000), wk = 0.0024938 k( 82) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0024938 k( 83) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0024938 k( 84) = ( -0.4111111 0.4111111 0.5000000), wk = 0.0024938 k( 85) = ( -0.4222222 0.4222222 0.5000000), wk = 0.0024938 k( 86) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0024938 k( 87) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0024938 k( 88) = ( -0.4555556 0.4555556 0.5000000), wk = 0.0024938 k( 89) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0024938 k( 90) = ( -0.4777778 0.4777778 0.5000000), wk = 0.0024938 k( 91) = ( -0.4888889 0.4888889 0.5000000), wk = 0.0024938 k( 92) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024938 k( 93) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024938 k( 94) = ( -0.4920635 0.4920635 0.4920635), wk = 0.0024938 k( 95) = ( -0.4841270 0.4841270 0.4841270), wk = 0.0024938 k( 96) = ( -0.4761905 0.4761905 0.4761905), wk = 0.0024938 k( 97) = ( -0.4682540 0.4682540 0.4682540), wk = 0.0024938 k( 98) = ( -0.4603175 0.4603175 0.4603175), wk = 0.0024938 k( 99) = ( -0.4523810 0.4523810 0.4523810), wk = 0.0024938 k( 100) = ( -0.4444444 0.4444444 0.4444444), wk = 0.0024938 k( 101) = ( -0.4365079 0.4365079 0.4365079), wk = 0.0024938 k( 102) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0024938 k( 103) = ( -0.4206349 0.4206349 0.4206349), wk = 0.0024938 k( 104) = ( -0.4126984 0.4126984 0.4126984), wk = 0.0024938 k( 105) = ( -0.4047619 0.4047619 0.4047619), wk = 0.0024938 k( 106) = ( -0.3968254 0.3968254 0.3968254), wk = 0.0024938 k( 107) = ( -0.3888889 0.3888889 0.3888889), wk = 0.0024938 k( 108) = ( -0.3809524 0.3809524 0.3809524), wk = 0.0024938 k( 109) = ( -0.3730159 0.3730159 0.3730159), wk = 0.0024938 k( 110) = ( -0.3650794 0.3650794 0.3650794), wk = 0.0024938 k( 111) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0024938 k( 112) = ( -0.3492063 0.3492063 0.3492063), wk = 0.0024938 k( 113) = ( -0.3412698 0.3412698 0.3412698), wk = 0.0024938 k( 114) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0024938 k( 115) = ( -0.3253968 0.3253968 0.3253968), wk = 0.0024938 k( 116) = ( -0.3174603 0.3174603 0.3174603), wk = 0.0024938 k( 117) = ( -0.3095238 0.3095238 0.3095238), wk = 0.0024938 k( 118) = ( -0.3015873 0.3015873 0.3015873), wk = 0.0024938 k( 119) = ( -0.2936508 0.2936508 0.2936508), wk = 0.0024938 k( 120) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0024938 k( 121) = ( -0.2777778 0.2777778 0.2777778), wk = 0.0024938 k( 122) = ( -0.2698413 0.2698413 0.2698413), wk = 0.0024938 k( 123) = ( -0.2619048 0.2619048 0.2619048), wk = 0.0024938 k( 124) = ( -0.2539683 0.2539683 0.2539683), wk = 0.0024938 k( 125) = ( -0.2460317 0.2460318 0.2460317), wk = 0.0024938 k( 126) = ( -0.2380952 0.2380952 0.2380952), wk = 0.0024938 k( 127) = ( -0.2301587 0.2301587 0.2301587), wk = 0.0024938 k( 128) = ( -0.2222222 0.2222222 0.2222222), wk = 0.0024938 k( 129) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0024938 k( 130) = ( -0.2063492 0.2063492 0.2063492), wk = 0.0024938 k( 131) = ( -0.1984127 0.1984127 0.1984127), wk = 0.0024938 k( 132) = ( -0.1904762 0.1904762 0.1904762), wk = 0.0024938 k( 133) = ( -0.1825397 0.1825397 0.1825397), wk = 0.0024938 k( 134) = ( -0.1746032 0.1746032 0.1746032), wk = 0.0024938 k( 135) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0024938 k( 136) = ( -0.1587302 0.1587302 0.1587302), wk = 0.0024938 k( 137) = ( -0.1507937 0.1507937 0.1507936), wk = 0.0024938 k( 138) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0024938 k( 139) = ( -0.1349206 0.1349206 0.1349206), wk = 0.0024938 k( 140) = ( -0.1269841 0.1269841 0.1269841), wk = 0.0024938 k( 141) = ( -0.1190476 0.1190476 0.1190476), wk = 0.0024938 k( 142) = ( -0.1111111 0.1111111 0.1111111), wk = 0.0024938 k( 143) = ( -0.1031746 0.1031746 0.1031746), wk = 0.0024938 k( 144) = ( -0.0952381 0.0952381 0.0952381), wk = 0.0024938 k( 145) = ( -0.0873016 0.0873016 0.0873016), wk = 0.0024938 k( 146) = ( -0.0793651 0.0793651 0.0793651), wk = 0.0024938 k( 147) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0024938 k( 148) = ( -0.0634921 0.0634921 0.0634921), wk = 0.0024938 k( 149) = ( -0.0555556 0.0555556 0.0555556), wk = 0.0024938 k( 150) = ( -0.0476191 0.0476191 0.0476190), wk = 0.0024938 k( 151) = ( -0.0396825 0.0396825 0.0396825), wk = 0.0024938 k( 152) = ( -0.0317460 0.0317460 0.0317460), wk = 0.0024938 k( 153) = ( -0.0238095 0.0238095 0.0238095), wk = 0.0024938 k( 154) = ( -0.0158730 0.0158730 0.0158730), wk = 0.0024938 k( 155) = ( -0.0079365 0.0079365 0.0079365), wk = 0.0024938 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 158) = ( 0.0067332 0.0067332 -0.0067332), wk = 0.0024938 k( 159) = ( 0.0134664 0.0134664 -0.0134664), wk = 0.0024938 k( 160) = ( 0.0201995 0.0201995 -0.0201995), wk = 0.0024938 k( 161) = ( 0.0269327 0.0269327 -0.0269327), wk = 0.0024938 k( 162) = ( 0.0336659 0.0336659 -0.0336659), wk = 0.0024938 k( 163) = ( 0.0403990 0.0403990 -0.0403990), wk = 0.0024938 k( 164) = ( 0.0471322 0.0471322 -0.0471322), wk = 0.0024938 k( 165) = ( 0.0538654 0.0538654 -0.0538654), wk = 0.0024938 k( 166) = ( 0.0605986 0.0605986 -0.0605986), wk = 0.0024938 k( 167) = ( 0.0673317 0.0673317 -0.0673317), wk = 0.0024938 k( 168) = ( 0.0740649 0.0740649 -0.0740649), wk = 0.0024938 k( 169) = ( 0.0807981 0.0807981 -0.0807981), wk = 0.0024938 k( 170) = ( 0.0875313 0.0875313 -0.0875313), wk = 0.0024938 k( 171) = ( 0.0942644 0.0942644 -0.0942644), wk = 0.0024938 k( 172) = ( 0.1009976 0.1009976 -0.1009976), wk = 0.0024938 k( 173) = ( 0.1077308 0.1077308 -0.1077308), wk = 0.0024938 k( 174) = ( 0.1144640 0.1144640 -0.1144640), wk = 0.0024938 k( 175) = ( 0.1211972 0.1211972 -0.1211972), wk = 0.0024938 k( 176) = ( 0.1279303 0.1279303 -0.1279303), wk = 0.0024938 k( 177) = ( 0.1346635 0.1346635 -0.1346635), wk = 0.0024938 k( 178) = ( 0.1413967 0.1413967 -0.1413967), wk = 0.0024938 k( 179) = ( 0.1481299 0.1481299 -0.1481299), wk = 0.0024938 k( 180) = ( 0.1548630 0.1548630 -0.1548630), wk = 0.0024938 k( 181) = ( 0.1615962 0.1615962 -0.1615962), wk = 0.0024938 k( 182) = ( 0.1683294 0.1683294 -0.1683294), wk = 0.0024938 k( 183) = ( 0.1750626 0.1750626 -0.1750626), wk = 0.0024938 k( 184) = ( 0.1817957 0.1817957 -0.1817957), wk = 0.0024938 k( 185) = ( 0.1885289 0.1885289 -0.1885289), wk = 0.0024938 k( 186) = ( 0.1952621 0.1952621 -0.1952621), wk = 0.0024938 k( 187) = ( 0.2019953 0.2019953 -0.2019953), wk = 0.0024938 k( 188) = ( 0.2087284 0.2087284 -0.2087284), wk = 0.0024938 k( 189) = ( 0.2154616 0.2154616 -0.2154616), wk = 0.0024938 k( 190) = ( 0.2221948 0.2221948 -0.2221948), wk = 0.0024938 k( 191) = ( 0.2289280 0.2289280 -0.2289280), wk = 0.0024938 k( 192) = ( 0.2356611 0.2356611 -0.2356611), wk = 0.0024938 k( 193) = ( 0.2423943 0.2423943 -0.2423943), wk = 0.0024938 k( 194) = ( 0.2491275 0.2491275 -0.2491275), wk = 0.0024938 k( 195) = ( 0.2558607 0.2558607 -0.2558607), wk = 0.0024938 k( 196) = ( 0.2625938 0.2625938 -0.2625938), wk = 0.0024938 k( 197) = ( 0.2693270 0.2693270 -0.2693270), wk = 0.0024938 k( 198) = ( 0.2760602 0.2760602 -0.2760602), wk = 0.0024938 k( 199) = ( 0.2827934 0.2827934 -0.2827934), wk = 0.0024938 k( 200) = ( 0.2895265 0.2895265 -0.2895265), wk = 0.0024938 k( 201) = ( 0.2962597 0.2962597 -0.2962597), wk = 0.0024938 k( 202) = ( 0.3029929 0.3029929 -0.3029929), wk = 0.0024938 k( 203) = ( 0.3097261 0.3097261 -0.3097261), wk = 0.0024938 k( 204) = ( 0.3164592 0.3164592 -0.3164592), wk = 0.0024938 k( 205) = ( 0.3231924 0.3231924 -0.3231924), wk = 0.0024938 k( 206) = ( 0.3299256 0.3299256 -0.3299256), wk = 0.0024938 k( 207) = ( 0.3366588 0.3366588 -0.3366588), wk = 0.0024938 k( 208) = ( 0.3433919 0.3433919 -0.3433919), wk = 0.0024938 k( 209) = ( 0.3501251 0.3501251 -0.3501251), wk = 0.0024938 k( 210) = ( 0.3568583 0.3568583 -0.3568583), wk = 0.0024938 k( 211) = ( 0.3635915 0.3635915 -0.3635915), wk = 0.0024938 k( 212) = ( 0.3703246 0.3703246 -0.3703246), wk = 0.0024938 k( 213) = ( 0.3770578 0.3770578 -0.3770578), wk = 0.0024938 k( 214) = ( 0.3837910 0.3837910 -0.3837910), wk = 0.0024938 k( 215) = ( 0.3905242 0.3905242 -0.3905242), wk = 0.0024938 k( 216) = ( 0.3972573 0.3972573 -0.3972573), wk = 0.0024938 k( 217) = ( 0.4039905 0.4039905 -0.4039905), wk = 0.0024938 k( 218) = ( 0.4107237 0.4107237 -0.4107237), wk = 0.0024938 k( 219) = ( 0.4174569 0.4174569 -0.4174569), wk = 0.0024938 k( 220) = ( 0.4241900 0.4241900 -0.4241900), wk = 0.0024938 k( 221) = ( 0.4309232 0.4309232 -0.4309232), wk = 0.0024938 k( 222) = ( 0.4309232 0.4309232 -0.4309232), wk = 0.0024938 k( 223) = ( 0.4274439 0.4274439 -0.4178285), wk = 0.0024938 k( 224) = ( 0.4239646 0.4239646 -0.4047339), wk = 0.0024938 k( 225) = ( 0.4204853 0.4204853 -0.3916392), wk = 0.0024938 k( 226) = ( 0.4170061 0.4170061 -0.3785445), wk = 0.0024938 k( 227) = ( 0.4135268 0.4135268 -0.3654498), wk = 0.0024938 k( 228) = ( 0.4100475 0.4100475 -0.3523552), wk = 0.0024938 k( 229) = ( 0.4065682 0.4065682 -0.3392605), wk = 0.0024938 k( 230) = ( 0.4030889 0.4030889 -0.3261658), wk = 0.0024938 k( 231) = ( 0.3996096 0.3996096 -0.3130711), wk = 0.0024938 k( 232) = ( 0.3961303 0.3961303 -0.2999764), wk = 0.0024938 k( 233) = ( 0.3926510 0.3926510 -0.2868818), wk = 0.0024938 k( 234) = ( 0.3891717 0.3891717 -0.2737871), wk = 0.0024938 k( 235) = ( 0.3856924 0.3856924 -0.2606924), wk = 0.0024938 k( 236) = ( 0.3822131 0.3822131 -0.2475977), wk = 0.0024938 k( 237) = ( 0.3787338 0.3787338 -0.2345031), wk = 0.0024938 k( 238) = ( 0.3752545 0.3752545 -0.2214084), wk = 0.0024938 k( 239) = ( 0.3717752 0.3717752 -0.2083137), wk = 0.0024938 k( 240) = ( 0.3682959 0.3682959 -0.1952190), wk = 0.0024938 k( 241) = ( 0.3648167 0.3648167 -0.1821243), wk = 0.0024938 k( 242) = ( 0.3613374 0.3613374 -0.1690297), wk = 0.0024938 k( 243) = ( 0.3578581 0.3578581 -0.1559350), wk = 0.0024938 k( 244) = ( 0.3543788 0.3543788 -0.1428403), wk = 0.0024938 k( 245) = ( 0.3508995 0.3508995 -0.1297456), wk = 0.0024938 k( 246) = ( 0.3474202 0.3474202 -0.1166510), wk = 0.0024938 k( 247) = ( 0.3439409 0.3439409 -0.1035563), wk = 0.0024938 k( 248) = ( 0.3404616 0.3404616 -0.0904616), wk = 0.0024938 k( 249) = ( 0.3369823 0.3369823 -0.0773669), wk = 0.0024938 k( 250) = ( 0.3335030 0.3335030 -0.0642723), wk = 0.0024938 k( 251) = ( 0.3300237 0.3300237 -0.0511776), wk = 0.0024938 k( 252) = ( 0.3265444 0.3265444 -0.0380829), wk = 0.0024938 k( 253) = ( 0.3230652 0.3230652 -0.0249882), wk = 0.0024938 k( 254) = ( 0.3195859 0.3195858 -0.0118935), wk = 0.0024938 k( 255) = ( 0.3161066 0.3161066 0.0012011), wk = 0.0024938 k( 256) = ( 0.3126273 0.3126273 0.0142958), wk = 0.0024938 k( 257) = ( 0.3091480 0.3091480 0.0273905), wk = 0.0024938 k( 258) = ( 0.3056687 0.3056687 0.0404852), wk = 0.0024938 k( 259) = ( 0.3021894 0.3021894 0.0535798), wk = 0.0024938 k( 260) = ( 0.2987101 0.2987101 0.0666745), wk = 0.0024938 k( 261) = ( 0.2952308 0.2952308 0.0797692), wk = 0.0024938 k( 262) = ( 0.2917515 0.2917515 0.0928639), wk = 0.0024938 k( 263) = ( 0.2882722 0.2882722 0.1059585), wk = 0.0024938 k( 264) = ( 0.2847929 0.2847929 0.1190532), wk = 0.0024938 k( 265) = ( 0.2813136 0.2813136 0.1321479), wk = 0.0024938 k( 266) = ( 0.2778343 0.2778343 0.1452426), wk = 0.0024938 k( 267) = ( 0.2743550 0.2743550 0.1583373), wk = 0.0024938 k( 268) = ( 0.2708758 0.2708758 0.1714319), wk = 0.0024938 k( 269) = ( 0.2673965 0.2673965 0.1845266), wk = 0.0024938 k( 270) = ( 0.2639172 0.2639172 0.1976213), wk = 0.0024938 k( 271) = ( 0.2604379 0.2604379 0.2107160), wk = 0.0024938 k( 272) = ( 0.2569586 0.2569586 0.2238106), wk = 0.0024938 k( 273) = ( 0.2534793 0.2534793 0.2369053), wk = 0.0024938 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024938 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024938 k( 276) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0024938 k( 277) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0024938 k( 278) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0024938 k( 279) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0024938 k( 280) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0024938 k( 281) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0024938 k( 282) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0024938 k( 283) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024938 k( 284) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0024938 k( 285) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0024938 k( 286) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0024938 k( 287) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0024938 k( 288) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0024938 k( 289) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0024938 k( 290) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0024938 k( 291) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024938 k( 292) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0024938 k( 293) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0024938 k( 294) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0024938 k( 295) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0024938 k( 296) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0024938 k( 297) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0024938 k( 298) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0024938 k( 299) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024938 k( 300) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0024938 k( 301) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0024938 k( 302) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0024938 k( 303) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0024938 k( 304) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0024938 k( 305) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0024938 k( 306) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0024938 k( 307) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024938 k( 308) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024938 k( 309) = ( -0.0102601 0.5016447 0.0102601), wk = 0.0024938 k( 310) = ( -0.0205202 0.5032894 0.0205201), wk = 0.0024938 k( 311) = ( -0.0307802 0.5049341 0.0307802), wk = 0.0024938 k( 312) = ( -0.0410403 0.5065787 0.0410403), wk = 0.0024938 k( 313) = ( -0.0513004 0.5082234 0.0513004), wk = 0.0024938 k( 314) = ( -0.0615605 0.5098681 0.0615605), wk = 0.0024938 k( 315) = ( -0.0718205 0.5115128 0.0718205), wk = 0.0024938 k( 316) = ( -0.0820806 0.5131575 0.0820806), wk = 0.0024938 k( 317) = ( -0.0923407 0.5148022 0.0923407), wk = 0.0024938 k( 318) = ( -0.1026008 0.5164469 0.1026008), wk = 0.0024938 k( 319) = ( -0.1128608 0.5180915 0.1128608), wk = 0.0024938 k( 320) = ( -0.1231209 0.5197362 0.1231209), wk = 0.0024938 k( 321) = ( -0.1333810 0.5213809 0.1333810), wk = 0.0024938 k( 322) = ( -0.1436411 0.5230256 0.1436411), wk = 0.0024938 k( 323) = ( -0.1539011 0.5246703 0.1539012), wk = 0.0024938 k( 324) = ( -0.1641612 0.5263150 0.1641612), wk = 0.0024938 k( 325) = ( -0.1744213 0.5279597 0.1744213), wk = 0.0024938 k( 326) = ( -0.1846814 0.5296043 0.1846814), wk = 0.0024938 k( 327) = ( -0.1949415 0.5312490 0.1949415), wk = 0.0024938 k( 328) = ( -0.2052015 0.5328937 0.2052015), wk = 0.0024938 k( 329) = ( -0.2154616 0.5345384 0.2154616), wk = 0.0024938 k( 330) = ( -0.2257217 0.5361831 0.2257217), wk = 0.0024938 k( 331) = ( -0.2359818 0.5378278 0.2359818), wk = 0.0024938 k( 332) = ( -0.2462418 0.5394725 0.2462418), wk = 0.0024938 k( 333) = ( -0.2565019 0.5411171 0.2565019), wk = 0.0024938 k( 334) = ( -0.2667620 0.5427618 0.2667620), wk = 0.0024938 k( 335) = ( -0.2770221 0.5444065 0.2770221), wk = 0.0024938 k( 336) = ( -0.2872822 0.5460512 0.2872822), wk = 0.0024938 k( 337) = ( -0.2975422 0.5476959 0.2975422), wk = 0.0024938 k( 338) = ( -0.3078023 0.5493406 0.3078023), wk = 0.0024938 k( 339) = ( -0.3180624 0.5509852 0.3180624), wk = 0.0024938 k( 340) = ( -0.3283224 0.5526299 0.3283224), wk = 0.0024938 k( 341) = ( -0.3385825 0.5542746 0.3385825), wk = 0.0024938 k( 342) = ( -0.3488426 0.5559193 0.3488426), wk = 0.0024938 k( 343) = ( -0.3591027 0.5575640 0.3591027), wk = 0.0024938 k( 344) = ( -0.3693628 0.5592087 0.3693628), wk = 0.0024938 k( 345) = ( -0.3796228 0.5608534 0.3796228), wk = 0.0024938 k( 346) = ( -0.3898829 0.5624980 0.3898829), wk = 0.0024938 k( 347) = ( -0.4001430 0.5641427 0.4001430), wk = 0.0024938 k( 348) = ( -0.4104031 0.5657874 0.4104031), wk = 0.0024938 k( 349) = ( -0.4206631 0.5674321 0.4206631), wk = 0.0024938 k( 350) = ( -0.4309232 0.5690768 0.4309232), wk = 0.0024938 k( 351) = ( -0.4309232 0.5690768 0.4309232), wk = 0.0024938 k( 352) = ( -0.4372029 0.5627971 0.4372029), wk = 0.0024938 k( 353) = ( -0.4434826 0.5565174 0.4434826), wk = 0.0024938 k( 354) = ( -0.4497623 0.5502377 0.4497623), wk = 0.0024938 k( 355) = ( -0.4560420 0.5439580 0.4560420), wk = 0.0024938 k( 356) = ( -0.4623218 0.5376782 0.4623218), wk = 0.0024938 k( 357) = ( -0.4686015 0.5313985 0.4686015), wk = 0.0024938 k( 358) = ( -0.4748812 0.5251188 0.4748812), wk = 0.0024938 k( 359) = ( -0.4811609 0.5188391 0.4811609), wk = 0.0024938 k( 360) = ( -0.4874406 0.5125594 0.4874406), wk = 0.0024938 k( 361) = ( -0.4937203 0.5062797 0.4937203), wk = 0.0024938 k( 362) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024938 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 364) = ( 0.0065790 0.0065789 0.4934210), wk = 0.0024938 k( 365) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0024938 k( 366) = ( 0.0197368 0.0197368 0.4802632), wk = 0.0024938 k( 367) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0024938 k( 368) = ( 0.0328947 0.0328947 0.4671053), wk = 0.0024938 k( 369) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0024938 k( 370) = ( 0.0460526 0.0460526 0.4539474), wk = 0.0024938 k( 371) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0024938 k( 372) = ( 0.0592105 0.0592105 0.4407895), wk = 0.0024938 k( 373) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0024938 k( 374) = ( 0.0723684 0.0723684 0.4276316), wk = 0.0024938 k( 375) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0024938 k( 376) = ( 0.0855263 0.0855263 0.4144737), wk = 0.0024938 k( 377) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0024938 k( 378) = ( 0.0986842 0.0986842 0.4013158), wk = 0.0024938 k( 379) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0024938 k( 380) = ( 0.1118421 0.1118421 0.3881579), wk = 0.0024938 k( 381) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0024938 k( 382) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024938 k( 383) = ( 0.1315790 0.1315790 0.3684210), wk = 0.0024938 k( 384) = ( 0.1381579 0.1381579 0.3618421), wk = 0.0024938 k( 385) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0024938 k( 386) = ( 0.1513158 0.1513158 0.3486842), wk = 0.0024938 k( 387) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0024938 k( 388) = ( 0.1644737 0.1644737 0.3355263), wk = 0.0024938 k( 389) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0024938 k( 390) = ( 0.1776316 0.1776316 0.3223684), wk = 0.0024938 k( 391) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0024938 k( 392) = ( 0.1907895 0.1907895 0.3092105), wk = 0.0024938 k( 393) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0024938 k( 394) = ( 0.2039474 0.2039474 0.2960526), wk = 0.0024938 k( 395) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0024938 k( 396) = ( 0.2171053 0.2171053 0.2828947), wk = 0.0024938 k( 397) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0024938 k( 398) = ( 0.2302632 0.2302632 0.2697368), wk = 0.0024938 k( 399) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0024938 k( 400) = ( 0.2434210 0.2434210 0.2565789), wk = 0.0024938 k( 401) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024938 Dense grid: 35303 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 13521 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 112, 56) NL pseudopotentials 0.14 Mb ( 56, 164) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1106) G-vector shells 0.00 Mb ( 507) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 112, 224) Each subspace H/S matrix 0.77 Mb ( 224, 224) 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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.6 secs Computing kpt #: 15 total cpu time spent up to now is 13.3 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.6 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 15.9 secs Computing kpt #: 20 total cpu time spent up to now is 16.6 secs Computing kpt #: 21 total cpu time spent up to now is 17.3 secs Computing kpt #: 22 total cpu time spent up to now is 18.0 secs Computing kpt #: 23 total cpu time spent up to now is 18.6 secs Computing kpt #: 24 total cpu time spent up to now is 19.3 secs Computing kpt #: 25 total cpu time spent up to now is 20.0 secs Computing kpt #: 26 total cpu time spent up to now is 20.7 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.1 secs Computing kpt #: 29 total cpu time spent up to now is 22.9 secs Computing kpt #: 30 total cpu time spent up to now is 23.6 secs Computing kpt #: 31 total cpu time spent up to now is 24.4 secs Computing kpt #: 32 total cpu time spent up to now is 25.3 secs Computing kpt #: 33 total cpu time spent up to now is 26.1 secs Computing kpt #: 34 total cpu time spent up to now is 26.9 secs Computing kpt #: 35 total cpu time spent up to now is 27.7 secs Computing kpt #: 36 total cpu time spent up to now is 28.5 secs Computing kpt #: 37 total cpu time spent up to now is 29.3 secs Computing kpt #: 38 total cpu time spent up to now is 30.1 secs Computing kpt #: 39 total cpu time spent up to now is 30.9 secs Computing kpt #: 40 total cpu time spent up to now is 31.8 secs Computing kpt #: 41 total cpu time spent up to now is 32.7 secs Computing kpt #: 42 total cpu time spent up to now is 33.6 secs Computing kpt #: 43 total cpu time spent up to now is 34.4 secs Computing kpt #: 44 total cpu time spent up to now is 35.3 secs Computing kpt #: 45 total cpu time spent up to now is 36.1 secs Computing kpt #: 46 total cpu time spent up to now is 36.8 secs Computing kpt #: 47 total cpu time spent up to now is 37.5 secs Computing kpt #: 48 total cpu time spent up to now is 38.4 secs Computing kpt #: 49 total cpu time spent up to now is 39.2 secs Computing kpt #: 50 total cpu time spent up to now is 40.0 secs Computing kpt #: 51 total cpu time spent up to now is 40.9 secs Computing kpt #: 52 total cpu time spent up to now is 41.8 secs Computing kpt #: 53 total cpu time spent up to now is 42.8 secs Computing kpt #: 54 total cpu time spent up to now is 43.8 secs Computing kpt #: 55 total cpu time spent up to now is 44.7 secs Computing kpt #: 56 total cpu time spent up to now is 45.6 secs Computing kpt #: 57 total cpu time spent up to now is 46.6 secs Computing kpt #: 58 total cpu time spent up to now is 47.3 secs Computing kpt #: 59 total cpu time spent up to now is 48.1 secs Computing kpt #: 60 total cpu time spent up to now is 48.9 secs Computing kpt #: 61 total cpu time spent up to now is 49.7 secs Computing kpt #: 62 total cpu time spent up to now is 50.5 secs Computing kpt #: 63 total cpu time spent up to now is 51.3 secs Computing kpt #: 64 total cpu time spent up to now is 52.1 secs Computing kpt #: 65 total cpu time spent up to now is 52.9 secs Computing kpt #: 66 total cpu time spent up to now is 53.7 secs Computing kpt #: 67 total cpu time spent up to now is 54.4 secs Computing kpt #: 68 total cpu time spent up to now is 55.1 secs Computing kpt #: 69 total cpu time spent up to now is 55.8 secs Computing kpt #: 70 total cpu time spent up to now is 56.4 secs Computing kpt #: 71 total cpu time spent up to now is 57.1 secs Computing kpt #: 72 total cpu time spent up to now is 57.7 secs Computing kpt #: 73 total cpu time spent up to now is 58.4 secs Computing kpt #: 74 total cpu time spent up to now is 59.0 secs Computing kpt #: 75 total cpu time spent up to now is 59.7 secs Computing kpt #: 76 total cpu time spent up to now is 60.4 secs Computing kpt #: 77 total cpu time spent up to now is 61.0 secs Computing kpt #: 78 total cpu time spent up to now is 61.6 secs Computing kpt #: 79 total cpu time spent up to now is 62.3 secs Computing kpt #: 80 total cpu time spent up to now is 62.9 secs Computing kpt #: 81 total cpu time spent up to now is 63.6 secs Computing kpt #: 82 total cpu time spent up to now is 64.2 secs Computing kpt #: 83 total cpu time spent up to now is 64.8 secs Computing kpt #: 84 total cpu time spent up to now is 65.5 secs Computing kpt #: 85 total cpu time spent up to now is 66.1 secs Computing kpt #: 86 total cpu time spent up to now is 66.7 secs Computing kpt #: 87 total cpu time spent up to now is 67.3 secs Computing kpt #: 88 total cpu time spent up to now is 68.0 secs Computing kpt #: 89 total cpu time spent up to now is 68.6 secs Computing kpt #: 90 total cpu time spent up to now is 69.2 secs Computing kpt #: 91 total cpu time spent up to now is 69.8 secs Computing kpt #: 92 total cpu time spent up to now is 70.4 secs Computing kpt #: 93 total cpu time spent up to now is 71.0 secs Computing kpt #: 94 total cpu time spent up to now is 71.6 secs Computing kpt #: 95 total cpu time spent up to now is 72.2 secs Computing kpt #: 96 total cpu time spent up to now is 72.8 secs Computing kpt #: 97 total cpu time spent up to now is 73.5 secs Computing kpt #: 98 total cpu time spent up to now is 74.1 secs Computing kpt #: 99 total cpu time spent up to now is 74.7 secs Computing kpt #: 100 total cpu time spent up to now is 75.3 secs Computing kpt #: 101 total cpu time spent up to now is 76.0 secs Computing kpt #: 102 total cpu time spent up to now is 76.6 secs Computing kpt #: 103 total cpu time spent up to now is 77.2 secs Computing kpt #: 104 total cpu time spent up to now is 77.8 secs Computing kpt #: 105 total cpu time spent up to now is 78.5 secs Computing kpt #: 106 total cpu time spent up to now is 79.1 secs Computing kpt #: 107 total cpu time spent up to now is 79.8 secs Computing kpt #: 108 total cpu time spent up to now is 80.4 secs Computing kpt #: 109 total cpu time spent up to now is 81.0 secs Computing kpt #: 110 total cpu time spent up to now is 81.7 secs Computing kpt #: 111 total cpu time spent up to now is 82.3 secs Computing kpt #: 112 total cpu time spent up to now is 83.0 secs Computing kpt #: 113 total cpu time spent up to now is 83.6 secs Computing kpt #: 114 total cpu time spent up to now is 84.2 secs Computing kpt #: 115 total cpu time spent up to now is 84.9 secs Computing kpt #: 116 total cpu time spent up to now is 85.5 secs Computing kpt #: 117 total cpu time spent up to now is 86.2 secs Computing kpt #: 118 total cpu time spent up to now is 86.8 secs Computing kpt #: 119 total cpu time spent up to now is 87.5 secs Computing kpt #: 120 total cpu time spent up to now is 88.1 secs Computing kpt #: 121 total cpu time spent up to now is 88.8 secs Computing kpt #: 122 total cpu time spent up to now is 89.4 secs Computing kpt #: 123 total cpu time spent up to now is 90.1 secs Computing kpt #: 124 total cpu time spent up to now is 90.7 secs Computing kpt #: 125 total cpu time spent up to now is 91.4 secs Computing kpt #: 126 total cpu time spent up to now is 92.0 secs Computing kpt #: 127 total cpu time spent up to now is 92.7 secs Computing kpt #: 128 total cpu time spent up to now is 93.3 secs Computing kpt #: 129 total cpu time spent up to now is 94.0 secs Computing kpt #: 130 total cpu time spent up to now is 94.6 secs Computing kpt #: 131 total cpu time spent up to now is 95.3 secs Computing kpt #: 132 total cpu time spent up to now is 96.0 secs Computing kpt #: 133 total cpu time spent up to now is 96.6 secs Computing kpt #: 134 total cpu time spent up to now is 97.3 secs Computing kpt #: 135 total cpu time spent up to now is 97.9 secs Computing kpt #: 136 total cpu time spent up to now is 98.6 secs Computing kpt #: 137 total cpu time spent up to now is 99.3 secs Computing kpt #: 138 total cpu time spent up to now is 99.9 secs Computing kpt #: 139 total cpu time spent up to now is 100.6 secs Computing kpt #: 140 total cpu time spent up to now is 101.2 secs Computing kpt #: 141 total cpu time spent up to now is 101.9 secs Computing kpt #: 142 total cpu time spent up to now is 102.5 secs Computing kpt #: 143 total cpu time spent up to now is 103.2 secs Computing kpt #: 144 total cpu time spent up to now is 103.9 secs Computing kpt #: 145 total cpu time spent up to now is 104.5 secs Computing kpt #: 146 total cpu time spent up to now is 105.2 secs Computing kpt #: 147 total cpu time spent up to now is 105.8 secs Computing kpt #: 148 total cpu time spent up to now is 106.5 secs Computing kpt #: 149 total cpu time spent up to now is 107.1 secs Computing kpt #: 150 total cpu time spent up to now is 107.8 secs Computing kpt #: 151 total cpu time spent up to now is 108.4 secs Computing kpt #: 152 total cpu time spent up to now is 109.1 secs Computing kpt #: 153 total cpu time spent up to now is 109.8 secs Computing kpt #: 154 total cpu time spent up to now is 110.4 secs Computing kpt #: 155 total cpu time spent up to now is 111.1 secs Computing kpt #: 156 total cpu time spent up to now is 111.8 secs Computing kpt #: 157 total cpu time spent up to now is 112.4 secs Computing kpt #: 158 total cpu time spent up to now is 113.1 secs Computing kpt #: 159 total cpu time spent up to now is 113.8 secs Computing kpt #: 160 total cpu time spent up to now is 114.4 secs Computing kpt #: 161 total cpu time spent up to now is 115.1 secs Computing kpt #: 162 total cpu time spent up to now is 115.8 secs Computing kpt #: 163 total cpu time spent up to now is 116.4 secs Computing kpt #: 164 total cpu time spent up to now is 117.1 secs Computing kpt #: 165 total cpu time spent up to now is 117.8 secs Computing kpt #: 166 total cpu time spent up to now is 118.5 secs Computing kpt #: 167 total cpu time spent up to now is 119.1 secs Computing kpt #: 168 total cpu time spent up to now is 119.9 secs Computing kpt #: 169 total cpu time spent up to now is 120.7 secs Computing kpt #: 170 total cpu time spent up to now is 121.6 secs Computing kpt #: 171 total cpu time spent up to now is 122.5 secs Computing kpt #: 172 total cpu time spent up to now is 123.5 secs Computing kpt #: 173 total cpu time spent up to now is 124.2 secs Computing kpt #: 174 total cpu time spent up to now is 124.8 secs Computing kpt #: 175 total cpu time spent up to now is 125.5 secs Computing kpt #: 176 total cpu time spent up to now is 126.2 secs Computing kpt #: 177 total cpu time spent up to now is 126.8 secs Computing kpt #: 178 total cpu time spent up to now is 127.5 secs Computing kpt #: 179 total cpu time spent up to now is 128.1 secs Computing kpt #: 180 total cpu time spent up to now is 128.8 secs Computing kpt #: 181 total cpu time spent up to now is 129.4 secs Computing kpt #: 182 total cpu time spent up to now is 130.1 secs Computing kpt #: 183 total cpu time spent up to now is 130.7 secs Computing kpt #: 184 total cpu time spent up to now is 131.4 secs Computing kpt #: 185 total cpu time spent up to now is 132.0 secs Computing kpt #: 186 total cpu time spent up to now is 132.7 secs Computing kpt #: 187 total cpu time spent up to now is 133.4 secs Computing kpt #: 188 total cpu time spent up to now is 134.0 secs Computing kpt #: 189 total cpu time spent up to now is 134.8 secs Computing kpt #: 190 total cpu time spent up to now is 135.6 secs Computing kpt #: 191 total cpu time spent up to now is 136.4 secs Computing kpt #: 192 total cpu time spent up to now is 137.2 secs Computing kpt #: 193 total cpu time spent up to now is 138.0 secs Computing kpt #: 194 total cpu time spent up to now is 138.7 secs Computing kpt #: 195 total cpu time spent up to now is 139.4 secs Computing kpt #: 196 total cpu time spent up to now is 140.0 secs Computing kpt #: 197 total cpu time spent up to now is 140.7 secs Computing kpt #: 198 total cpu time spent up to now is 141.3 secs Computing kpt #: 199 total cpu time spent up to now is 141.9 secs Computing kpt #: 200 total cpu time spent up to now is 142.5 secs Computing kpt #: 201 total cpu time spent up to now is 143.1 secs Computing kpt #: 202 total cpu time spent up to now is 143.7 secs Computing kpt #: 203 total cpu time spent up to now is 144.3 secs Computing kpt #: 204 total cpu time spent up to now is 144.9 secs Computing kpt #: 205 total cpu time spent up to now is 145.6 secs Computing kpt #: 206 total cpu time spent up to now is 146.2 secs Computing kpt #: 207 total cpu time spent up to now is 146.8 secs Computing kpt #: 208 total cpu time spent up to now is 147.4 secs Computing kpt #: 209 total cpu time spent up to now is 148.0 secs Computing kpt #: 210 total cpu time spent up to now is 148.7 secs Computing kpt #: 211 total cpu time spent up to now is 149.3 secs Computing kpt #: 212 total cpu time spent up to now is 149.9 secs Computing kpt #: 213 total cpu time spent up to now is 150.5 secs Computing kpt #: 214 total cpu time spent up to now is 151.2 secs Computing kpt #: 215 total cpu time spent up to now is 151.8 secs Computing kpt #: 216 total cpu time spent up to now is 152.4 secs Computing kpt #: 217 total cpu time spent up to now is 153.0 secs Computing kpt #: 218 total cpu time spent up to now is 153.6 secs Computing kpt #: 219 total cpu time spent up to now is 154.2 secs Computing kpt #: 220 total cpu time spent up to now is 154.8 secs Computing kpt #: 221 total cpu time spent up to now is 155.4 secs Computing kpt #: 222 total cpu time spent up to now is 156.0 secs Computing kpt #: 223 total cpu time spent up to now is 156.7 secs Computing kpt #: 224 total cpu time spent up to now is 157.3 secs Computing kpt #: 225 total cpu time spent up to now is 157.9 secs Computing kpt #: 226 total cpu time spent up to now is 158.5 secs Computing kpt #: 227 total cpu time spent up to now is 159.2 secs Computing kpt #: 228 total cpu time spent up to now is 159.8 secs Computing kpt #: 229 total cpu time spent up to now is 160.4 secs Computing kpt #: 230 total cpu time spent up to now is 161.1 secs Computing kpt #: 231 total cpu time spent up to now is 161.7 secs Computing kpt #: 232 total cpu time spent up to now is 162.4 secs Computing kpt #: 233 total cpu time spent up to now is 163.0 secs Computing kpt #: 234 total cpu time spent up to now is 163.6 secs Computing kpt #: 235 total cpu time spent up to now is 164.3 secs Computing kpt #: 236 total cpu time spent up to now is 164.9 secs Computing kpt #: 237 total cpu time spent up to now is 165.5 secs Computing kpt #: 238 total cpu time spent up to now is 166.2 secs Computing kpt #: 239 total cpu time spent up to now is 166.8 secs Computing kpt #: 240 total cpu time spent up to now is 167.5 secs Computing kpt #: 241 total cpu time spent up to now is 168.1 secs Computing kpt #: 242 total cpu time spent up to now is 168.7 secs Computing kpt #: 243 total cpu time spent up to now is 169.4 secs Computing kpt #: 244 total cpu time spent up to now is 170.0 secs Computing kpt #: 245 total cpu time spent up to now is 170.7 secs Computing kpt #: 246 total cpu time spent up to now is 171.3 secs Computing kpt #: 247 total cpu time spent up to now is 171.9 secs Computing kpt #: 248 total cpu time spent up to now is 172.6 secs Computing kpt #: 249 total cpu time spent up to now is 173.2 secs Computing kpt #: 250 total cpu time spent up to now is 173.9 secs Computing kpt #: 251 total cpu time spent up to now is 174.5 secs Computing kpt #: 252 total cpu time spent up to now is 175.1 secs Computing kpt #: 253 total cpu time spent up to now is 175.8 secs Computing kpt #: 254 total cpu time spent up to now is 176.4 secs Computing kpt #: 255 total cpu time spent up to now is 177.0 secs Computing kpt #: 256 total cpu time spent up to now is 177.7 secs Computing kpt #: 257 total cpu time spent up to now is 178.3 secs Computing kpt #: 258 total cpu time spent up to now is 179.0 secs Computing kpt #: 259 total cpu time spent up to now is 179.6 secs Computing kpt #: 260 total cpu time spent up to now is 180.2 secs Computing kpt #: 261 total cpu time spent up to now is 180.9 secs Computing kpt #: 262 total cpu time spent up to now is 181.5 secs Computing kpt #: 263 total cpu time spent up to now is 182.2 secs Computing kpt #: 264 total cpu time spent up to now is 182.9 secs Computing kpt #: 265 total cpu time spent up to now is 183.6 secs Computing kpt #: 266 total cpu time spent up to now is 184.4 secs Computing kpt #: 267 total cpu time spent up to now is 185.1 secs Computing kpt #: 268 total cpu time spent up to now is 185.8 secs Computing kpt #: 269 total cpu time spent up to now is 186.5 secs Computing kpt #: 270 total cpu time spent up to now is 187.1 secs Computing kpt #: 271 total cpu time spent up to now is 187.8 secs Computing kpt #: 272 total cpu time spent up to now is 188.4 secs Computing kpt #: 273 total cpu time spent up to now is 189.0 secs Computing kpt #: 274 total cpu time spent up to now is 189.7 secs Computing kpt #: 275 total cpu time spent up to now is 190.3 secs Computing kpt #: 276 total cpu time spent up to now is 190.9 secs Computing kpt #: 277 total cpu time spent up to now is 191.6 secs Computing kpt #: 278 total cpu time spent up to now is 192.2 secs Computing kpt #: 279 total cpu time spent up to now is 192.9 secs Computing kpt #: 280 total cpu time spent up to now is 193.5 secs Computing kpt #: 281 total cpu time spent up to now is 194.1 secs Computing kpt #: 282 total cpu time spent up to now is 194.8 secs Computing kpt #: 283 total cpu time spent up to now is 195.4 secs Computing kpt #: 284 total cpu time spent up to now is 196.1 secs Computing kpt #: 285 total cpu time spent up to now is 196.8 secs Computing kpt #: 286 total cpu time spent up to now is 197.4 secs Computing kpt #: 287 total cpu time spent up to now is 198.1 secs Computing kpt #: 288 total cpu time spent up to now is 198.8 secs Computing kpt #: 289 total cpu time spent up to now is 199.5 secs Computing kpt #: 290 total cpu time spent up to now is 200.1 secs Computing kpt #: 291 total cpu time spent up to now is 200.8 secs Computing kpt #: 292 total cpu time spent up to now is 201.5 secs Computing kpt #: 293 total cpu time spent up to now is 202.2 secs Computing kpt #: 294 total cpu time spent up to now is 202.9 secs Computing kpt #: 295 total cpu time spent up to now is 203.6 secs Computing kpt #: 296 total cpu time spent up to now is 204.4 secs Computing kpt #: 297 total cpu time spent up to now is 205.0 secs Computing kpt #: 298 total cpu time spent up to now is 205.8 secs Computing kpt #: 299 total cpu time spent up to now is 206.6 secs Computing kpt #: 300 total cpu time spent up to now is 207.3 secs Computing kpt #: 301 total cpu time spent up to now is 208.1 secs Computing kpt #: 302 total cpu time spent up to now is 208.9 secs Computing kpt #: 303 total cpu time spent up to now is 209.6 secs Computing kpt #: 304 total cpu time spent up to now is 210.4 secs Computing kpt #: 305 total cpu time spent up to now is 211.1 secs Computing kpt #: 306 total cpu time spent up to now is 211.9 secs Computing kpt #: 307 total cpu time spent up to now is 212.7 secs Computing kpt #: 308 total cpu time spent up to now is 213.5 secs Computing kpt #: 309 total cpu time spent up to now is 214.2 secs Computing kpt #: 310 total cpu time spent up to now is 214.9 secs Computing kpt #: 311 total cpu time spent up to now is 215.6 secs Computing kpt #: 312 total cpu time spent up to now is 216.3 secs Computing kpt #: 313 total cpu time spent up to now is 216.9 secs Computing kpt #: 314 total cpu time spent up to now is 217.6 secs Computing kpt #: 315 total cpu time spent up to now is 218.3 secs Computing kpt #: 316 total cpu time spent up to now is 218.9 secs Computing kpt #: 317 total cpu time spent up to now is 219.6 secs Computing kpt #: 318 total cpu time spent up to now is 220.3 secs Computing kpt #: 319 total cpu time spent up to now is 220.9 secs Computing kpt #: 320 total cpu time spent up to now is 221.6 secs Computing kpt #: 321 total cpu time spent up to now is 222.3 secs Computing kpt #: 322 total cpu time spent up to now is 222.9 secs Computing kpt #: 323 total cpu time spent up to now is 223.6 secs Computing kpt #: 324 total cpu time spent up to now is 224.2 secs Computing kpt #: 325 total cpu time spent up to now is 224.9 secs Computing kpt #: 326 total cpu time spent up to now is 225.5 secs Computing kpt #: 327 total cpu time spent up to now is 226.2 secs Computing kpt #: 328 total cpu time spent up to now is 226.8 secs Computing kpt #: 329 total cpu time spent up to now is 227.5 secs Computing kpt #: 330 total cpu time spent up to now is 228.1 secs Computing kpt #: 331 total cpu time spent up to now is 228.8 secs Computing kpt #: 332 total cpu time spent up to now is 229.4 secs Computing kpt #: 333 total cpu time spent up to now is 230.1 secs Computing kpt #: 334 total cpu time spent up to now is 230.7 secs Computing kpt #: 335 total cpu time spent up to now is 231.4 secs Computing kpt #: 336 total cpu time spent up to now is 232.0 secs Computing kpt #: 337 total cpu time spent up to now is 232.7 secs Computing kpt #: 338 total cpu time spent up to now is 233.4 secs Computing kpt #: 339 total cpu time spent up to now is 234.0 secs Computing kpt #: 340 total cpu time spent up to now is 234.6 secs Computing kpt #: 341 total cpu time spent up to now is 235.3 secs Computing kpt #: 342 total cpu time spent up to now is 235.9 secs Computing kpt #: 343 total cpu time spent up to now is 236.6 secs Computing kpt #: 344 total cpu time spent up to now is 237.2 secs Computing kpt #: 345 total cpu time spent up to now is 237.8 secs Computing kpt #: 346 total cpu time spent up to now is 238.5 secs Computing kpt #: 347 total cpu time spent up to now is 239.1 secs Computing kpt #: 348 total cpu time spent up to now is 239.7 secs Computing kpt #: 349 total cpu time spent up to now is 240.3 secs Computing kpt #: 350 total cpu time spent up to now is 240.9 secs Computing kpt #: 351 total cpu time spent up to now is 241.5 secs Computing kpt #: 352 total cpu time spent up to now is 242.1 secs Computing kpt #: 353 total cpu time spent up to now is 242.8 secs Computing kpt #: 354 total cpu time spent up to now is 243.3 secs Computing kpt #: 355 total cpu time spent up to now is 243.9 secs Computing kpt #: 356 total cpu time spent up to now is 244.5 secs Computing kpt #: 357 total cpu time spent up to now is 245.2 secs Computing kpt #: 358 total cpu time spent up to now is 245.7 secs Computing kpt #: 359 total cpu time spent up to now is 246.3 secs Computing kpt #: 360 total cpu time spent up to now is 247.0 secs Computing kpt #: 361 total cpu time spent up to now is 247.6 secs Computing kpt #: 362 total cpu time spent up to now is 248.2 secs Computing kpt #: 363 total cpu time spent up to now is 249.0 secs Computing kpt #: 364 total cpu time spent up to now is 249.9 secs Computing kpt #: 365 total cpu time spent up to now is 250.8 secs Computing kpt #: 366 total cpu time spent up to now is 251.6 secs Computing kpt #: 367 total cpu time spent up to now is 252.4 secs Computing kpt #: 368 total cpu time spent up to now is 253.2 secs Computing kpt #: 369 total cpu time spent up to now is 254.0 secs Computing kpt #: 370 total cpu time spent up to now is 254.7 secs Computing kpt #: 371 total cpu time spent up to now is 255.5 secs Computing kpt #: 372 total cpu time spent up to now is 256.3 secs Computing kpt #: 373 total cpu time spent up to now is 257.0 secs Computing kpt #: 374 total cpu time spent up to now is 257.7 secs Computing kpt #: 375 total cpu time spent up to now is 258.4 secs Computing kpt #: 376 total cpu time spent up to now is 259.1 secs Computing kpt #: 377 total cpu time spent up to now is 259.7 secs Computing kpt #: 378 total cpu time spent up to now is 260.4 secs Computing kpt #: 379 total cpu time spent up to now is 261.0 secs Computing kpt #: 380 total cpu time spent up to now is 261.7 secs Computing kpt #: 381 total cpu time spent up to now is 262.3 secs Computing kpt #: 382 total cpu time spent up to now is 263.0 secs Computing kpt #: 383 total cpu time spent up to now is 263.6 secs Computing kpt #: 384 total cpu time spent up to now is 264.3 secs Computing kpt #: 385 total cpu time spent up to now is 264.9 secs Computing kpt #: 386 total cpu time spent up to now is 265.6 secs Computing kpt #: 387 total cpu time spent up to now is 266.2 secs Computing kpt #: 388 total cpu time spent up to now is 266.9 secs Computing kpt #: 389 total cpu time spent up to now is 267.5 secs Computing kpt #: 390 total cpu time spent up to now is 268.3 secs Computing kpt #: 391 total cpu time spent up to now is 269.0 secs Computing kpt #: 392 total cpu time spent up to now is 269.7 secs Computing kpt #: 393 total cpu time spent up to now is 270.5 secs Computing kpt #: 394 total cpu time spent up to now is 271.3 secs Computing kpt #: 395 total cpu time spent up to now is 272.0 secs Computing kpt #: 396 total cpu time spent up to now is 272.8 secs Computing kpt #: 397 total cpu time spent up to now is 273.5 secs Computing kpt #: 398 total cpu time spent up to now is 274.1 secs Computing kpt #: 399 total cpu time spent up to now is 274.8 secs Computing kpt #: 400 total cpu time spent up to now is 275.4 secs Computing kpt #: 401 total cpu time spent up to now is 276.0 secs ethr = 2.17E-11, avg # of iterations = 20.3 total cpu time spent up to now is 276.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): 1.7901 1.7901 8.1269 8.1269 9.2612 9.2612 9.6335 9.6335 9.8759 9.8759 9.9548 9.9548 10.7400 10.7400 10.8096 10.8096 10.8631 10.8631 10.9154 10.9154 10.9468 10.9468 11.2962 11.2962 12.1022 12.1022 12.3107 12.3107 12.5692 12.5692 12.8147 12.8147 12.9062 12.9062 12.9988 12.9988 13.3272 13.3272 13.4439 13.4439 13.8002 13.8002 14.7090 14.7090 15.5706 15.5706 15.6825 15.6825 16.9103 16.9103 16.9622 16.9622 18.3049 18.3049 18.3848 18.3848 k = 0.0000 0.0000 0.0130 ( 1677 PWs) bands (ev): 1.7913 1.7913 8.1273 8.1273 9.2580 9.2580 9.6215 9.6215 9.8831 9.8831 9.9603 9.9603 10.7403 10.7403 10.8096 10.8096 10.8630 10.8630 10.9150 10.9150 10.9462 10.9462 11.2962 11.2962 12.1027 12.1027 12.3106 12.3106 12.5691 12.5691 12.8137 12.8137 12.9046 12.9046 13.0010 13.0010 13.3277 13.3277 13.4442 13.4442 13.8004 13.8004 14.7080 14.7080 15.5682 15.5682 15.6798 15.6798 16.9087 16.9087 16.9606 16.9606 18.3082 18.3082 18.3880 18.3880 k = 0.0000 0.0000 0.0259 ( 1677 PWs) bands (ev): 1.7951 1.7951 8.1283 8.1283 9.2485 9.2485 9.5895 9.5895 9.9006 9.9006 9.9767 9.9767 10.7410 10.7410 10.8095 10.8095 10.8627 10.8627 10.9135 10.9135 10.9444 10.9444 11.2964 11.2964 12.1037 12.1037 12.3104 12.3104 12.5687 12.5687 12.8103 12.8103 12.8999 12.8999 13.0070 13.0070 13.3290 13.3290 13.4452 13.4452 13.8006 13.8006 14.7052 14.7052 15.5597 15.5597 15.6731 15.6731 16.9041 16.9041 16.9558 16.9558 18.3179 18.3179 18.3977 18.3977 k = 0.0000 0.0000 0.0389 ( 1677 PWs) bands (ev): 1.8014 1.8014 8.1300 8.1300 9.2334 9.2334 9.5447 9.5447 9.9223 9.9223 10.0024 10.0024 10.7422 10.7422 10.8092 10.8092 10.8624 10.8624 10.9107 10.9107 10.9419 10.9419 11.2965 11.2965 12.1056 12.1056 12.3101 12.3101 12.5681 12.5681 12.8049 12.8049 12.8934 12.8934 13.0158 13.0158 13.3311 13.3311 13.4467 13.4467 13.8010 13.8010 14.7007 14.7007 15.5419 15.5419 15.6661 15.6661 16.8963 16.8963 16.9480 16.9480 18.3328 18.3328 18.4136 18.4136 k = 0.0000 0.0000 0.0519 ( 1682 PWs) bands (ev): 1.8102 1.8102 8.1324 8.1324 9.2132 9.2132 9.4915 9.4915 9.9457 9.9457 10.0342 10.0342 10.7437 10.7437 10.8083 10.8083 10.8621 10.8621 10.9065 10.9065 10.9395 10.9395 11.2964 11.2964 12.1081 12.1081 12.3096 12.3096 12.5672 12.5672 12.7973 12.7973 12.8856 12.8856 13.0264 13.0264 13.3338 13.3338 13.4490 13.4490 13.8015 13.8015 14.6944 14.6944 15.5124 15.5124 15.6625 15.6625 16.8854 16.8854 16.9374 16.9374 18.3514 18.3514 18.4357 18.4357 k = 0.0000 0.0000 0.0648 ( 1676 PWs) bands (ev): 1.8215 1.8215 8.1355 8.1355 9.1888 9.1888 9.4328 9.4328 9.9706 9.9706 10.0690 10.0690 10.7456 10.7456 10.8068 10.8068 10.8623 10.8623 10.9012 10.9012 10.9377 10.9377 11.2961 11.2961 12.1113 12.1113 12.3095 12.3095 12.5662 12.5662 12.7881 12.7881 12.8772 12.8772 13.0382 13.0382 13.3372 13.3372 13.4522 13.4522 13.8023 13.8023 14.6868 14.6868 15.4712 15.4712 15.6634 15.6634 16.8714 16.8714 16.9245 16.9245 18.3722 18.3722 18.4636 18.4636 k = 0.0000 0.0000 0.0778 ( 1676 PWs) bands (ev): 1.8352 1.8352 8.1393 8.1393 9.1611 9.1611 9.3697 9.3697 9.9968 9.9968 10.1041 10.1041 10.7480 10.7480 10.8043 10.8043 10.8629 10.8629 10.8953 10.8953 10.9364 10.9364 11.2950 11.2950 12.1151 12.1151 12.3092 12.3092 12.5648 12.5648 12.7772 12.7772 12.8685 12.8685 13.0507 13.0507 13.3410 13.3410 13.4561 13.4561 13.8033 13.8033 14.6779 14.6779 15.4202 15.4202 15.6680 15.6680 16.8541 16.8541 16.9096 16.9096 18.3937 18.3937 18.4971 18.4971 k = 0.0000 0.0000 0.0908 ( 1676 PWs) bands (ev): 1.8514 1.8514 8.1438 8.1438 9.1307 9.1307 9.3029 9.3029 10.0244 10.0244 10.1381 10.1381 10.7504 10.7504 10.8007 10.8007 10.8637 10.8637 10.8903 10.8903 10.9357 10.9357 11.2932 11.2932 12.1195 12.1195 12.3091 12.3091 12.5632 12.5632 12.7652 12.7652 12.8594 12.8594 13.0634 13.0634 13.3450 13.3450 13.4610 13.4610 13.8044 13.8044 14.6680 14.6680 15.3618 15.3618 15.6752 15.6752 16.8336 16.8336 16.8934 16.8934 18.4150 18.4150 18.5359 18.5359 k = 0.0000 0.0000 0.1037 ( 1676 PWs) bands (ev): 1.8701 1.8701 8.1488 8.1488 9.0983 9.0983 9.2327 9.2327 10.0529 10.0529 10.1699 10.1699 10.7527 10.7527 10.7960 10.7960 10.8644 10.8644 10.8876 10.8876 10.9353 10.9353 11.2904 11.2904 12.1244 12.1244 12.3094 12.3094 12.5613 12.5613 12.7523 12.7523 12.8499 12.8499 13.0762 13.0762 13.3491 13.3491 13.4670 13.4670 13.8057 13.8057 14.6573 14.6573 15.2981 15.2981 15.6841 15.6841 16.8099 16.8099 16.8761 16.8761 18.4355 18.4355 18.5795 18.5795 k = 0.0000 0.0000 0.1167 ( 1676 PWs) bands (ev): 1.8911 1.8911 8.1545 8.1545 9.0644 9.0644 9.1594 9.1594 10.0819 10.0819 10.1985 10.1985 10.7546 10.7546 10.7907 10.7907 10.8648 10.8648 10.8884 10.8884 10.9350 10.9350 11.2867 11.2867 12.1299 12.1299 12.3100 12.3100 12.5592 12.5592 12.7387 12.7387 12.8400 12.8400 13.0891 13.0891 13.3532 13.3532 13.4739 13.4739 13.8071 13.8071 14.6461 14.6461 15.2305 15.2305 15.6940 15.6940 16.7830 16.7830 16.8583 16.8583 18.4548 18.4548 18.6278 18.6278 k = 0.0000 0.0000 0.1297 ( 1672 PWs) bands (ev): 1.9146 1.9146 8.1608 8.1608 9.0293 9.0293 9.0832 9.0832 10.1112 10.1112 10.2235 10.2235 10.7548 10.7548 10.7859 10.7859 10.8659 10.8659 10.8924 10.8924 10.9348 10.9348 11.2818 11.2818 12.1361 12.1361 12.3115 12.3115 12.5571 12.5571 12.7247 12.7247 12.8297 12.8297 13.1018 13.1018 13.3571 13.3571 13.4819 13.4819 13.8086 13.8086 14.6345 14.6345 15.1604 15.1604 15.7045 15.7045 16.7532 16.7532 16.8400 16.8400 18.4732 18.4732 18.6803 18.6803 k = 0.0000 0.0000 0.1426 ( 1672 PWs) bands (ev): 1.9404 1.9404 8.1677 8.1677 8.9932 8.9932 9.0042 9.0042 10.1403 10.1403 10.2442 10.2442 10.7517 10.7517 10.7833 10.7833 10.8691 10.8691 10.8988 10.8988 10.9346 10.9346 11.2758 11.2758 12.1425 12.1425 12.3134 12.3134 12.5549 12.5549 12.7104 12.7104 12.8189 12.8189 13.1143 13.1143 13.3607 13.3607 13.4907 13.4907 13.8103 13.8103 14.6228 14.6228 15.0890 15.0890 15.7151 15.7151 16.7207 16.7207 16.8217 16.8217 18.4906 18.4906 18.7368 18.7368 k = 0.0000 0.0000 0.1556 ( 1676 PWs) bands (ev): 1.9686 1.9686 8.1752 8.1752 8.9217 8.9217 8.9574 8.9574 10.1690 10.1690 10.2606 10.2606 10.7445 10.7445 10.7838 10.7838 10.8753 10.8753 10.9069 10.9069 10.9342 10.9342 11.2686 11.2686 12.1494 12.1494 12.3159 12.3159 12.5524 12.5524 12.6960 12.6960 12.8073 12.8073 13.1266 13.1266 13.3640 13.3640 13.5005 13.5005 13.8120 13.8120 14.6112 14.6112 15.0170 15.0170 15.7257 15.7257 16.6859 16.6859 16.8033 16.8033 18.5074 18.5074 18.7970 18.7970 k = 0.0000 0.0000 0.1686 ( 1676 PWs) bands (ev): 1.9991 1.9991 8.1833 8.1833 8.8369 8.8369 8.9208 8.9208 10.1970 10.1970 10.2727 10.2727 10.7341 10.7341 10.7868 10.7868 10.8847 10.8847 10.9166 10.9166 10.9338 10.9338 11.2604 11.2604 12.1566 12.1566 12.3193 12.3193 12.5500 12.5500 12.6816 12.6816 12.7952 12.7952 13.1386 13.1386 13.3670 13.3670 13.5110 13.5110 13.8139 13.8139 14.5997 14.5997 14.9454 14.9454 15.7357 15.7357 16.6491 16.6491 16.7849 16.7849 18.5236 18.5236 18.8606 18.8606 k = 0.0000 0.0000 0.1815 ( 1682 PWs) bands (ev): 2.0318 2.0318 8.1919 8.1919 8.7494 8.7494 8.8843 8.8843 10.2236 10.2236 10.2812 10.2812 10.7217 10.7217 10.7909 10.7909 10.8968 10.8968 10.9276 10.9276 10.9335 10.9335 11.2513 11.2513 12.1640 12.1640 12.3234 12.3234 12.5478 12.5478 12.6671 12.6671 12.7825 12.7825 13.1503 13.1503 13.3695 13.3695 13.5220 13.5220 13.8158 13.8158 14.5885 14.5885 14.8747 14.8747 15.7451 15.7451 16.6106 16.6106 16.7668 16.7668 18.5396 18.5396 18.9274 18.9274 k = 0.0000 0.0000 0.1945 ( 1688 PWs) bands (ev): 2.0667 2.0667 8.2010 8.2010 8.6593 8.6593 8.8480 8.8480 10.2477 10.2477 10.2876 10.2876 10.7078 10.7078 10.7961 10.7961 10.9103 10.9103 10.9322 10.9322 10.9414 10.9414 11.2415 11.2415 12.1717 12.1717 12.3284 12.3284 12.5458 12.5458 12.6529 12.6529 12.7695 12.7695 13.1617 13.1617 13.3717 13.3717 13.5335 13.5335 13.8180 13.8180 14.5775 14.5775 14.8057 14.8057 15.7535 15.7535 16.5706 16.5706 16.7489 16.7489 18.5554 18.5554 18.9970 18.9970 k = 0.0000 0.0000 0.2075 ( 1684 PWs) bands (ev): 2.1037 2.1037 8.2108 8.2108 8.5670 8.5670 8.8120 8.8120 10.2651 10.2651 10.2968 10.2968 10.6929 10.6929 10.8018 10.8018 10.9213 10.9213 10.9355 10.9355 10.9566 10.9566 11.2314 11.2314 12.1796 12.1796 12.3343 12.3343 12.5442 12.5442 12.6390 12.6390 12.7560 12.7560 13.1727 13.1727 13.3735 13.3735 13.5454 13.5454 13.8203 13.8203 14.5664 14.5664 14.7394 14.7394 15.7608 15.7608 16.5295 16.5295 16.7315 16.7315 18.5714 18.5714 19.0693 19.0693 k = 0.0000 0.0000 0.2204 ( 1688 PWs) bands (ev): 2.1429 2.1429 8.2209 8.2209 8.4724 8.4724 8.7765 8.7765 10.2708 10.2708 10.3140 10.3140 10.6769 10.6769 10.8079 10.8079 10.9235 10.9235 10.9466 10.9466 10.9738 10.9738 11.2217 11.2217 12.1874 12.1874 12.3409 12.3409 12.5431 12.5431 12.6253 12.6253 12.7419 12.7419 13.1833 13.1833 13.3746 13.3746 13.5574 13.5574 13.8226 13.8226 14.5540 14.5540 14.6774 14.6774 15.7669 15.7669 16.4875 16.4875 16.7144 16.7144 18.5875 18.5875 19.1441 19.1441 k = 0.0000 0.0000 0.2334 ( 1692 PWs) bands (ev): 2.1840 2.1840 8.2313 8.2313 8.3758 8.3758 8.7414 8.7414 10.2694 10.2694 10.3354 10.3354 10.6601 10.6601 10.8143 10.8143 10.9221 10.9221 10.9605 10.9605 10.9921 10.9921 11.2133 11.2133 12.1953 12.1953 12.3481 12.3481 12.5428 12.5428 12.6118 12.6118 12.7275 12.7275 13.1935 13.1935 13.3752 13.3752 13.5694 13.5694 13.8251 13.8251 14.5362 14.5362 14.6241 14.6241 15.7715 15.7715 16.4449 16.4449 16.6977 16.6977 18.6040 18.6040 19.2212 19.2212 k = 0.0000 0.0000 0.2464 ( 1696 PWs) bands (ev): 2.2272 2.2272 8.2422 8.2422 8.2775 8.2775 8.7070 8.7070 10.2653 10.2653 10.3574 10.3574 10.6425 10.6425 10.8210 10.8210 10.9194 10.9194 10.9745 10.9745 11.0094 11.0094 11.2075 11.2075 12.2030 12.2030 12.3560 12.3560 12.5434 12.5434 12.5990 12.5990 12.7129 12.7129 13.2033 13.2033 13.3750 13.3750 13.5813 13.5813 13.8276 13.8276 14.5047 14.5047 14.5884 14.5884 15.7746 15.7746 16.4018 16.4018 16.6815 16.6815 18.6208 18.6208 19.3002 19.3002 k = 0.0000 0.0000 0.2593 ( 1696 PWs) bands (ev): 2.2721 2.2721 8.1776 8.1776 8.2535 8.2535 8.6734 8.6734 10.2599 10.2599 10.3788 10.3788 10.6243 10.6243 10.8279 10.8279 10.9162 10.9162 10.9880 10.9880 11.0236 11.0236 11.2064 11.2064 12.2106 12.2106 12.3642 12.3642 12.5450 12.5450 12.5868 12.5868 12.6983 12.6983 13.2126 13.2126 13.3741 13.3741 13.5930 13.5930 13.8302 13.8302 14.4588 14.4588 14.5712 14.5712 15.7760 15.7760 16.3586 16.3586 16.6659 16.6659 18.6381 18.6381 19.3810 19.3810 k = 0.0000 0.0000 0.2723 ( 1700 PWs) bands (ev): 2.3189 2.3189 8.0763 8.0763 8.2651 8.2651 8.6406 8.6406 10.2540 10.2540 10.3994 10.3994 10.6056 10.6056 10.8348 10.8348 10.9125 10.9125 10.9995 10.9995 11.0333 11.0333 11.2118 11.2118 12.2179 12.2179 12.3725 12.3725 12.5473 12.5473 12.5756 12.5756 12.6837 12.6837 13.2214 13.2214 13.3721 13.3721 13.6042 13.6042 13.8328 13.8328 14.4080 14.4080 14.5634 14.5634 15.7756 15.7756 16.3154 16.3154 16.6509 16.6509 18.6559 18.6559 19.4634 19.4634 k = 0.0000 0.0000 0.2853 ( 1698 PWs) bands (ev): 2.3673 2.3673 7.9740 7.9740 8.2770 8.2770 8.6087 8.6087 10.2484 10.2484 10.4190 10.4190 10.5864 10.5864 10.8417 10.8417 10.9085 10.9085 11.0063 11.0063 11.0408 11.0408 11.2244 11.2244 12.2249 12.2249 12.3807 12.3807 12.5488 12.5488 12.5674 12.5674 12.6692 12.6692 13.2298 13.2298 13.3691 13.3691 13.6152 13.6152 13.8354 13.8354 14.3575 14.3575 14.5600 14.5600 15.7734 15.7734 16.2725 16.2725 16.6365 16.6365 18.6743 18.6743 19.5472 19.5472 k = 0.0000 0.0000 0.2982 ( 1706 PWs) bands (ev): 2.4173 2.4173 7.8710 7.8710 8.2890 8.2890 8.5777 8.5777 10.2430 10.2430 10.4375 10.4375 10.5665 10.5665 10.8484 10.8484 10.9041 10.9041 11.0041 11.0041 11.0505 11.0505 11.2431 11.2431 12.2315 12.2315 12.3885 12.3885 12.5447 12.5447 12.5667 12.5667 12.6549 12.6549 13.2375 13.2375 13.3649 13.3649 13.6257 13.6257 13.8379 13.8379 14.3092 14.3092 14.5594 14.5594 15.7694 15.7694 16.2300 16.2300 16.6226 16.6226 18.6932 18.6932 19.6320 19.6320 k = 0.0000 0.0000 0.3112 ( 1710 PWs) bands (ev): 2.4687 2.4687 7.7676 7.7676 8.3013 8.3013 8.5478 8.5478 10.2383 10.2383 10.4550 10.4550 10.5467 10.5467 10.8548 10.8548 10.8992 10.8992 10.9938 10.9938 11.0637 11.0637 11.2660 11.2660 12.2375 12.2375 12.3955 12.3955 12.5363 12.5363 12.5724 12.5724 12.6414 12.6414 13.2445 13.2445 13.3594 13.3594 13.6358 13.6358 13.8404 13.8404 14.2638 14.2638 14.5611 14.5611 15.7635 15.7635 16.1882 16.1882 16.6094 16.6094 18.7126 18.7126 19.7178 19.7178 k = 0.0000 0.0000 0.3242 ( 1710 PWs) bands (ev): 2.5214 2.5214 7.6640 7.6640 8.3138 8.3138 8.5189 8.5189 10.2345 10.2345 10.4715 10.4715 10.5268 10.5268 10.8605 10.8605 10.8947 10.8947 10.9787 10.9787 11.0787 11.0787 11.2915 11.2915 12.2431 12.2431 12.4015 12.4015 12.5276 12.5276 12.5807 12.5807 12.6292 12.6292 13.2507 13.2507 13.3526 13.3526 13.6453 13.6453 13.8429 13.8429 14.2217 14.2217 14.5649 14.5649 15.7559 15.7559 16.1472 16.1472 16.5968 16.5968 18.7326 18.7326 19.8041 19.8041 k = 0.0000 0.0000 0.3371 ( 1704 PWs) bands (ev): 2.5752 2.5752 7.5607 7.5607 8.3263 8.3263 8.4912 8.4912 10.2318 10.2318 10.4869 10.4869 10.5070 10.5070 10.8648 10.8648 10.8906 10.8906 10.9611 10.9611 11.0948 11.0948 11.3182 11.3182 12.2483 12.2483 12.4061 12.4061 12.5196 12.5196 12.5894 12.5894 12.6197 12.6197 13.2558 13.2558 13.3447 13.3447 13.6543 13.6543 13.8453 13.8453 14.1831 14.1831 14.5705 14.5705 15.7464 15.7464 16.1072 16.1072 16.5849 16.5849 18.7531 18.7531 19.8909 19.8909 k = 0.0000 0.0000 0.3501 ( 1704 PWs) bands (ev): 2.6299 2.6299 7.4580 7.4580 8.3388 8.3388 8.4647 8.4647 10.2302 10.2302 10.4865 10.4865 10.5020 10.5020 10.8664 10.8664 10.8869 10.8869 10.9430 10.9430 11.1111 11.1111 11.3454 11.3454 12.2528 12.2528 12.4086 12.4086 12.5131 12.5131 12.5929 12.5929 12.6178 12.6178 13.2592 13.2592 13.3360 13.3360 13.6628 13.6628 13.8475 13.8475 14.1482 14.1482 14.5780 14.5780 15.7352 15.7352 16.0682 16.0682 16.5736 16.5736 18.7741 18.7741 19.9776 19.9776 k = 0.0000 0.0000 0.3631 ( 1706 PWs) bands (ev): 2.6853 2.6853 7.3562 7.3562 8.3512 8.3512 8.4393 8.4393 10.2298 10.2298 10.4669 10.4669 10.5153 10.5153 10.8646 10.8646 10.8818 10.8818 10.9279 10.9279 11.1276 11.1276 11.3723 11.3723 12.2569 12.2569 12.4084 12.4084 12.5083 12.5083 12.5888 12.5888 12.6265 12.6265 13.2599 13.2599 13.3276 13.3276 13.6706 13.6706 13.8495 13.8495 14.1170 14.1170 14.5872 14.5872 15.7222 15.7222 16.0306 16.0306 16.5630 16.5630 18.7955 18.7955 20.0640 20.0640 k = 0.0000 0.0000 0.3760 ( 1714 PWs) bands (ev): 2.7413 2.7413 7.2557 7.2557 8.3634 8.3634 8.4152 8.4152 10.2305 10.2305 10.4474 10.4474 10.5279 10.5279 10.8595 10.8595 10.8705 10.8705 10.9205 10.9205 11.1441 11.1441 11.3987 11.3987 12.2605 12.2605 12.4054 12.4054 12.5052 12.5052 12.5835 12.5835 12.6395 12.6395 13.2563 13.2563 13.3208 13.3208 13.6778 13.6778 13.8513 13.8513 14.0893 14.0893 14.5980 14.5980 15.7077 15.7077 15.9943 15.9943 16.5530 16.5530 18.8171 18.8171 20.1496 20.1496 k = 0.0000 0.0000 0.3890 ( 1710 PWs) bands (ev): 2.7974 2.7974 7.1569 7.1569 8.3751 8.3751 8.3929 8.3929 10.2328 10.2328 10.4283 10.4283 10.5396 10.5396 10.8471 10.8471 10.8585 10.8585 10.9205 10.9205 11.1608 11.1608 11.4241 11.4241 12.2638 12.2638 12.3999 12.3999 12.5032 12.5032 12.5804 12.5804 12.6541 12.6541 13.2473 13.2473 13.3171 13.3171 13.6846 13.6846 13.8530 13.8530 14.0654 14.0654 14.6105 14.6105 15.6919 15.6919 15.9595 15.9595 16.5436 16.5436 18.8390 18.8390 20.2238 20.2238 k = 0.0000 0.0000 0.4020 ( 1712 PWs) bands (ev): 2.8535 2.8535 7.0604 7.0604 8.3701 8.3701 8.3882 8.3882 10.2365 10.2365 10.4097 10.4097 10.5505 10.5505 10.8252 10.8252 10.8515 10.8515 10.9241 10.9241 11.1771 11.1771 11.4484 11.4484 12.2667 12.2667 12.3921 12.3921 12.5012 12.5012 12.5805 12.5805 12.6692 12.6692 13.2331 13.2331 13.3163 13.3163 13.6909 13.6909 13.8544 13.8544 14.0447 14.0447 14.6243 14.6243 15.6747 15.6747 15.9264 15.9264 16.5349 16.5349 18.8610 18.8610 20.2205 20.2205 k = 0.0000 0.0000 0.4149 ( 1712 PWs) bands (ev): 2.9092 2.9092 6.9665 6.9665 8.3504 8.3504 8.3994 8.3994 10.2415 10.2415 10.3917 10.3917 10.5605 10.5605 10.8007 10.8007 10.8453 10.8453 10.9289 10.9289 11.1931 11.1931 11.4713 11.4713 12.2692 12.2692 12.3829 12.3829 12.4986 12.4986 12.5844 12.5844 12.6844 12.6844 13.2148 13.2148 13.3175 13.3175 13.6967 13.6967 13.8556 13.8556 14.0272 14.0272 14.6395 14.6395 15.6564 15.6564 15.8950 15.8950 16.5267 16.5267 18.8829 18.8829 20.2143 20.2143 k = 0.0000 0.0000 0.4279 ( 1712 PWs) bands (ev): 2.9641 2.9641 6.8757 6.8757 8.3317 8.3317 8.4104 8.4104 10.2479 10.2479 10.3744 10.3744 10.5696 10.5696 10.7754 10.7754 10.8392 10.8392 10.9342 10.9342 11.2087 11.2087 11.4928 11.4928 12.2713 12.2713 12.3728 12.3728 12.4953 12.4953 12.5917 12.5917 12.6996 12.6996 13.1936 13.1936 13.3197 13.3197 13.7019 13.7019 13.8565 13.8565 14.0125 14.0125 14.6557 14.6557 15.6372 15.6372 15.8655 15.8655 16.5193 16.5193 18.9045 18.9045 20.2090 20.2090 k = 0.0000 0.0000 0.4409 ( 1716 PWs) bands (ev): 3.0177 3.0177 6.7886 6.7886 8.3144 8.3144 8.4208 8.4208 10.2555 10.2555 10.3579 10.3579 10.5777 10.5777 10.7497 10.7497 10.8333 10.8333 10.9395 10.9395 11.2237 11.2237 11.5127 11.5127 12.2731 12.2731 12.3623 12.3623 12.4915 12.4915 12.6018 12.6018 12.7142 12.7142 13.1702 13.1702 13.3224 13.3224 13.7068 13.7068 13.8573 13.8573 14.0003 14.0003 14.6729 14.6729 15.6173 15.6173 15.8379 15.8379 16.5124 16.5124 18.9257 18.9257 20.2046 20.2046 k = 0.0000 0.0000 0.4538 ( 1712 PWs) bands (ev): 3.0697 3.0697 6.7058 6.7058 8.2986 8.2986 8.4309 8.4309 10.2645 10.2645 10.3425 10.3425 10.5849 10.5849 10.7243 10.7243 10.8276 10.8276 10.9449 10.9449 11.2381 11.2381 11.5310 11.5310 12.2743 12.2743 12.3522 12.3522 12.4875 12.4875 12.6143 12.6143 12.7284 12.7284 13.1454 13.1454 13.3252 13.3252 13.7112 13.7112 13.8580 13.8580 13.9904 13.9904 14.6907 14.6907 15.5970 15.5970 15.8124 15.8124 16.5062 16.5062 18.9463 18.9463 20.2012 20.2012 k = 0.0000 0.0000 0.4668 ( 1708 PWs) bands (ev): 3.1195 3.1195 6.6278 6.6278 8.2842 8.2842 8.4403 8.4403 10.2746 10.2746 10.3281 10.3281 10.5907 10.5907 10.6996 10.6996 10.8222 10.8222 10.9498 10.9498 11.2517 11.2517 11.5475 11.5475 12.2749 12.2749 12.3428 12.3428 12.4836 12.4836 12.6285 12.6285 12.7419 12.7419 13.1197 13.1197 13.3280 13.3280 13.7152 13.7152 13.8584 13.8584 13.9825 13.9825 14.7090 14.7090 15.5765 15.5765 15.7890 15.7890 16.5006 16.5006 18.9659 18.9659 20.1988 20.1988 k = 0.0000 0.0000 0.4798 ( 1708 PWs) bands (ev): 3.1666 3.1666 6.5554 6.5554 8.2713 8.2713 8.4489 8.4489 10.2857 10.2857 10.3150 10.3150 10.5948 10.5948 10.6762 10.6762 10.8170 10.8170 10.9544 10.9544 11.2643 11.2643 11.5622 11.5622 12.2746 12.2746 12.3345 12.3345 12.4799 12.4799 12.6441 12.6441 12.7545 12.7545 13.0933 13.0933 13.3306 13.3306 13.7187 13.7187 13.8588 13.8588 13.9760 13.9760 14.7272 14.7272 15.5562 15.5562 15.7679 15.7679 16.4956 16.4956 18.9845 18.9845 20.1973 20.1973 k = 0.0000 0.0000 0.4927 ( 1704 PWs) bands (ev): 3.2102 3.2102 6.4891 6.4891 8.2598 8.2598 8.4567 8.4567 10.2975 10.2975 10.3037 10.3037 10.5957 10.5957 10.6560 10.6560 10.8123 10.8123 10.9586 10.9586 11.2759 11.2759 11.5752 11.5752 12.2734 12.2734 12.3279 12.3279 12.4766 12.4766 12.6606 12.6606 12.7663 12.7663 13.0667 13.0667 13.3330 13.3330 13.7219 13.7219 13.8591 13.8591 13.9709 13.9709 14.7450 14.7450 15.5365 15.5365 15.7491 15.7491 16.4912 16.4912 19.0017 19.0017 20.1966 20.1966 k = 0.0000 0.0000 0.5057 ( 1704 PWs) bands (ev): 3.2499 3.2499 6.4297 6.4297 8.2498 8.2498 8.4636 8.4636 10.2924 10.2924 10.3112 10.3112 10.5907 10.5907 10.6417 10.6417 10.8080 10.8080 10.9624 10.9624 11.2862 11.2862 11.5864 11.5864 12.2711 12.2711 12.3229 12.3229 12.4737 12.4737 12.6776 12.6776 12.7772 12.7772 13.0402 13.0402 13.3351 13.3351 13.7246 13.7246 13.8592 13.8592 13.9669 13.9669 14.7621 14.7621 15.5179 15.5179 15.7327 15.7327 16.4873 16.4873 19.0172 19.0172 20.1965 20.1965 k = 0.0000 0.0000 0.5187 ( 1704 PWs) bands (ev): 3.2849 3.2849 6.3779 6.3779 8.2413 8.2413 8.4696 8.4696 10.2834 10.2834 10.3246 10.3246 10.5782 10.5782 10.6353 10.6353 10.8042 10.8042 10.9656 10.9656 11.2953 11.2953 11.5958 11.5958 12.2681 12.2681 12.3196 12.3196 12.4712 12.4712 12.6946 12.6946 12.7872 12.7872 13.0144 13.0144 13.3369 13.3369 13.7269 13.7269 13.8593 13.8593 13.9638 13.9638 14.7778 14.7778 15.5007 15.5007 15.7187 15.7187 16.4841 16.4841 19.0309 19.0309 20.1969 20.1969 k = 0.0000 0.0000 0.5316 ( 1696 PWs) bands (ev): 3.3146 3.3146 6.3344 6.3344 8.2346 8.2346 8.4746 8.4746 10.2760 10.2760 10.3382 10.3382 10.5619 10.5619 10.6340 10.6340 10.8011 10.8011 10.9684 10.9684 11.3029 11.3029 11.6035 11.6035 12.2646 12.2646 12.3175 12.3175 12.4693 12.4693 12.7109 12.7109 12.7963 12.7963 12.9899 12.9899 13.3385 13.3385 13.7288 13.7288 13.8593 13.8593 13.9616 13.9616 14.7919 14.7919 15.4857 15.4857 15.7072 15.7072 16.4815 16.4815 19.0424 19.0424 20.1976 20.1976 k = 0.0000 0.0000 0.5446 ( 1688 PWs) bands (ev): 3.3385 3.3385 6.2998 6.2998 8.2293 8.2293 8.4786 8.4786 10.2701 10.2701 10.3513 10.3513 10.5453 10.5453 10.6346 10.6346 10.7987 10.7987 10.9705 10.9705 11.3090 11.3090 11.6094 11.6094 12.2614 12.2614 12.3164 12.3164 12.4677 12.4677 12.7256 12.7256 12.8050 12.8050 12.9674 12.9674 13.3398 13.3398 13.7303 13.7303 13.8593 13.8593 13.9599 13.9599 14.8037 14.8037 15.4733 15.4733 15.6983 15.6983 16.4794 16.4794 19.0516 19.0516 20.1984 20.1984 k = 0.0000 0.0000 0.5576 ( 1690 PWs) bands (ev): 3.3559 3.3559 6.2747 6.2747 8.2254 8.2254 8.4814 8.4814 10.2659 10.2659 10.3624 10.3624 10.5309 10.5309 10.6354 10.6354 10.7967 10.7967 10.9720 10.9720 11.3133 11.3133 11.6136 11.6136 12.2588 12.2588 12.3158 12.3158 12.4666 12.4666 12.7374 12.7374 12.8130 12.8130 12.9481 12.9481 13.3406 13.3406 13.7314 13.7314 13.8593 13.8593 13.9588 13.9588 14.8124 14.8124 15.4639 15.4639 15.6918 15.6918 16.4780 16.4780 19.0584 19.0584 20.1992 20.1992 k = 0.0000 0.0000 0.5705 ( 1694 PWs) bands (ev): 3.3665 3.3665 6.2594 6.2594 8.2231 8.2231 8.4831 8.4831 10.2632 10.2632 10.3702 10.3702 10.5209 10.5209 10.6360 10.6360 10.7956 10.7956 10.9729 10.9729 11.3158 11.3158 11.6162 11.6162 12.2572 12.2572 12.3155 12.3155 12.4659 12.4659 12.7450 12.7450 12.8193 12.8193 12.9343 12.9343 13.3411 13.3411 13.7319 13.7319 13.8593 13.8593 13.9581 13.9581 14.8178 14.8178 15.4581 15.4581 15.6880 15.6880 16.4771 16.4771 19.0624 19.0624 20.1997 20.1997 k = 0.0000 0.0000 0.5835 ( 1686 PWs) bands (ev): 3.3701 3.3701 6.2543 6.2543 8.2224 8.2224 8.4837 8.4837 10.2626 10.2626 10.3732 10.3732 10.5174 10.5174 10.6363 10.6363 10.7953 10.7953 10.9732 10.9732 11.3169 11.3169 11.6170 11.6170 12.2567 12.2567 12.3155 12.3155 12.4657 12.4657 12.7477 12.7477 12.8219 12.8219 12.9293 12.9293 13.3413 13.3413 13.7322 13.7322 13.8594 13.8594 13.9579 13.9579 14.8197 14.8197 15.4562 15.4562 15.6867 15.6867 16.4768 16.4768 19.0638 19.0638 20.1999 20.1999 k = 0.0000 0.0000 0.5835 ( 1686 PWs) bands (ev): 3.3701 3.3701 6.2543 6.2543 8.2224 8.2224 8.4837 8.4837 10.2626 10.2626 10.3732 10.3732 10.5174 10.5174 10.6363 10.6363 10.7953 10.7953 10.9732 10.9732 11.3169 11.3169 11.6170 11.6170 12.2567 12.2567 12.3155 12.3155 12.4657 12.4657 12.7477 12.7477 12.8219 12.8219 12.9293 12.9293 13.3413 13.3413 13.7322 13.7322 13.8594 13.8594 13.9579 13.9579 14.8197 14.8197 15.4562 15.4562 15.6867 15.6867 16.4768 16.4768 19.0638 19.0638 20.1999 20.1999 k =-0.0111 0.0067 0.5835 ( 1700 PWs) bands (ev): 3.3711 3.3711 6.2554 6.2554 8.2204 8.2204 8.4841 8.4841 10.2624 10.2624 10.3618 10.3618 10.5184 10.5184 10.6445 10.6445 10.7957 10.7957 10.9728 10.9728 11.3171 11.3171 11.6174 11.6174 12.2570 12.2570 12.3158 12.3158 12.4652 12.4652 12.7467 12.7467 12.8188 12.8188 12.9332 12.9332 13.3407 13.3407 13.7312 13.7312 13.8592 13.8592 13.9570 13.9570 14.8201 14.8201 15.4539 15.4539 15.6757 15.6757 16.4893 16.4893 19.0550 19.0550 20.1995 20.1995 k =-0.0222 0.0134 0.5835 ( 1698 PWs) bands (ev): 3.3742 3.3742 6.2586 6.2586 8.2148 8.2148 8.4861 8.4861 10.2620 10.2620 10.3320 10.3320 10.5211 10.5211 10.6667 10.6667 10.7972 10.7972 10.9723 10.9723 11.3176 11.3176 11.6190 11.6190 12.2578 12.2578 12.3169 12.3169 12.4642 12.4642 12.7440 12.7440 12.8109 12.8109 12.9443 12.9443 13.3399 13.3399 13.7289 13.7289 13.8588 13.8588 13.9547 13.9547 14.8220 14.8220 15.4474 15.4474 15.6450 15.6450 16.5252 16.5252 19.0287 19.0287 20.1986 20.1986 k =-0.0333 0.0201 0.5835 ( 1698 PWs) bands (ev): 3.3794 3.3794 6.2640 6.2640 8.2056 8.2056 8.4892 8.4892 10.2616 10.2616 10.2903 10.2903 10.5239 10.5239 10.6972 10.6972 10.8000 10.8000 10.9713 10.9713 11.3187 11.3187 11.6215 11.6215 12.2593 12.2593 12.3188 12.3188 12.4625 12.4625 12.7391 12.7391 12.8008 12.8008 12.9598 12.9598 13.3384 13.3384 13.7249 13.7249 13.8582 13.8582 13.9509 13.9509 14.8250 14.8250 15.4366 15.4366 15.5989 15.5989 16.5799 16.5799 18.9851 18.9851 20.1985 20.1985 k =-0.0444 0.0267 0.5835 ( 1694 PWs) bands (ev): 3.3866 3.3866 6.2716 6.2716 8.1928 8.1928 8.4937 8.4937 10.2408 10.2408 10.2613 10.2613 10.5268 10.5268 10.7319 10.7319 10.8040 10.8040 10.9699 10.9699 11.3202 11.3202 11.6248 11.6248 12.2612 12.2612 12.3212 12.3212 12.4604 12.4604 12.7319 12.7319 12.7908 12.7908 12.9780 12.9780 13.3363 13.3363 13.7192 13.7192 13.8573 13.8573 13.9455 13.9455 14.8293 14.8293 15.4217 15.4217 15.5421 15.5421 16.6487 16.6487 18.9248 18.9248 20.2005 20.2005 k =-0.0556 0.0334 0.5835 ( 1694 PWs) bands (ev): 3.3959 3.3959 6.2813 6.2813 8.1767 8.1767 8.4993 8.4993 10.1865 10.1865 10.2605 10.2605 10.5297 10.5297 10.7676 10.7676 10.8097 10.8097 10.9680 10.9680 11.3222 11.3222 11.6287 11.6287 12.2634 12.2634 12.3240 12.3240 12.4581 12.4581 12.7220 12.7220 12.7819 12.7819 12.9979 12.9979 13.3336 13.3336 13.7119 13.7119 13.8562 13.8562 13.9386 13.9386 14.8347 14.8347 15.4029 15.4029 15.4786 15.4786 16.7277 16.7277 18.8487 18.8487 20.2061 20.2061 k =-0.0667 0.0401 0.5835 ( 1696 PWs) bands (ev): 3.4072 3.4072 6.2931 6.2931 8.1573 8.1573 8.5063 8.5063 10.1280 10.1280 10.2596 10.2596 10.5329 10.5329 10.7995 10.7995 10.8209 10.8209 10.9656 10.9656 11.3248 11.3248 11.6328 11.6328 12.2657 12.2657 12.3269 12.3269 12.4559 12.4559 12.7099 12.7099 12.7747 12.7747 13.0190 13.0190 13.3304 13.3304 13.7030 13.7030 13.8547 13.8547 13.9301 13.9301 14.8412 14.8412 15.3801 15.3801 15.4115 15.4115 16.8141 16.8141 18.7581 18.7581 20.2166 20.2166 k =-0.0778 0.0468 0.5835 ( 1708 PWs) bands (ev): 3.4205 3.4205 6.3070 6.3070 8.1348 8.1348 8.5142 8.5142 10.0661 10.0661 10.2586 10.2586 10.5362 10.5362 10.8156 10.8156 10.8486 10.8486 10.9625 10.9625 11.3279 11.3279 11.6369 11.6369 12.2679 12.2679 12.3296 12.3296 12.4543 12.4543 12.6960 12.6960 12.7690 12.7690 13.0407 13.0407 13.3268 13.3268 13.6925 13.6925 13.8529 13.8529 13.9202 13.9202 14.8486 14.8486 15.3381 15.3381 15.3581 15.3581 16.9062 16.9062 18.6548 18.6548 20.2325 20.2325 k =-0.0889 0.0535 0.5835 ( 1710 PWs) bands (ev): 3.4358 3.4358 6.3230 6.3230 8.1095 8.1095 8.5237 8.5237 10.0014 10.0014 10.2574 10.2574 10.5401 10.5401 10.8252 10.8252 10.8838 10.8838 10.9588 10.9588 11.3318 11.3318 11.6409 11.6409 12.2694 12.2694 12.3319 12.3319 12.4536 12.4536 12.6813 12.6813 12.7648 12.7648 13.0629 13.0629 13.3225 13.3225 13.6805 13.6805 13.8506 13.8506 13.9089 13.9089 14.8570 14.8570 15.2686 15.2686 15.3286 15.3286 17.0026 17.0026 18.5406 18.5406 20.2545 20.2545 k =-0.1000 0.0602 0.5835 ( 1706 PWs) bands (ev): 3.4532 3.4532 6.3410 6.3410 8.0817 8.0817 8.5343 8.5343 9.9341 9.9341 10.2562 10.2562 10.5446 10.5446 10.8347 10.8347 10.9194 10.9194 10.9545 10.9545 11.3363 11.3363 11.6445 11.6445 12.2700 12.2700 12.3339 12.3339 12.4544 12.4544 12.6662 12.6662 12.7620 12.7620 13.0857 13.0857 13.3181 13.3181 13.6671 13.6671 13.8478 13.8478 13.8965 13.8965 14.8663 14.8663 15.1977 15.1977 15.2980 15.2980 17.1024 17.1024 18.4174 18.4174 20.2826 20.2826 k =-0.1111 0.0668 0.5835 ( 1706 PWs) bands (ev): 3.4725 3.4725 6.3609 6.3609 8.0516 8.0516 8.5462 8.5462 9.8643 9.8643 10.2549 10.2549 10.5494 10.5494 10.8450 10.8450 10.9467 10.9467 10.9575 10.9575 11.3417 11.3417 11.6472 11.6472 12.2688 12.2688 12.3355 12.3355 12.4564 12.4564 12.6510 12.6510 12.7606 12.7606 13.1086 13.1086 13.3132 13.3132 13.6522 13.6522 13.8440 13.8440 13.8834 13.8834 14.8761 14.8761 15.1275 15.1275 15.2655 15.2655 17.2051 17.2051 18.2871 18.2871 20.3167 20.3167 k =-0.1222 0.0735 0.5835 ( 1702 PWs) bands (ev): 3.4937 3.4937 6.3829 6.3829 8.0195 8.0195 8.5592 8.5592 9.7923 9.7923 10.2535 10.2535 10.5548 10.5548 10.8563 10.8563 10.9421 10.9421 10.9911 10.9911 11.3478 11.3478 11.6490 11.6490 12.2653 12.2653 12.3371 12.3371 12.4598 12.4598 12.6360 12.6360 12.7611 12.7611 13.1315 13.1315 13.3082 13.3082 13.6360 13.6360 13.8384 13.8384 13.8704 13.8704 14.8858 14.8858 15.0588 15.0588 15.2314 15.2314 17.3100 17.3100 18.1513 18.1513 20.3569 20.3569 k =-0.1333 0.0802 0.5835 ( 1702 PWs) bands (ev): 3.5168 3.5168 6.4067 6.4067 7.9855 7.9855 8.5734 8.5734 9.7180 9.7180 10.2520 10.2520 10.5605 10.5605 10.8680 10.8680 10.9353 10.9353 11.0254 11.0254 11.3548 11.3548 11.6495 11.6495 12.2590 12.2590 12.3391 12.3391 12.4639 12.4639 12.6212 12.6212 12.7637 12.7637 13.1542 13.1542 13.3030 13.3030 13.6184 13.6184 13.8292 13.8292 13.8592 13.8592 14.8933 14.8933 14.9941 14.9941 15.1961 15.1961 17.4167 17.4167 18.0115 18.0115 20.4028 20.4028 k =-0.1444 0.0869 0.5835 ( 1698 PWs) bands (ev): 3.5418 3.5418 6.4323 6.4323 7.9500 7.9500 8.5888 8.5888 9.6419 9.6419 10.2505 10.2505 10.5668 10.5668 10.8800 10.8800 10.9282 10.9282 11.0593 11.0593 11.3626 11.3626 11.6487 11.6487 12.2501 12.2501 12.3415 12.3415 12.4684 12.4684 12.6069 12.6069 12.7689 12.7689 13.1767 13.1767 13.2981 13.2981 13.5994 13.5994 13.8153 13.8153 13.8512 13.8512 14.8855 14.8855 14.9464 14.9464 15.1601 15.1601 17.5245 17.5245 17.8696 17.8696 20.4545 20.4545 k =-0.1556 0.0936 0.5835 ( 1702 PWs) bands (ev): 3.5685 3.5685 6.4598 6.4598 7.9132 7.9132 8.6054 8.6054 9.5638 9.5638 10.2488 10.2488 10.5734 10.5734 10.8897 10.8897 10.9228 10.9228 11.0926 11.0926 11.3713 11.3713 11.6464 11.6464 12.2385 12.2385 12.3442 12.3442 12.4727 12.4727 12.5928 12.5928 12.7770 12.7770 13.1976 13.1976 13.2940 13.2940 13.5792 13.5792 13.7976 13.7976 13.8454 13.8454 14.8387 14.8387 14.9393 14.9393 15.1235 15.1235 17.6280 17.6280 17.7318 17.7318 20.5117 20.5117 k =-0.1667 0.1003 0.5835 ( 1698 PWs) bands (ev): 3.5970 3.5970 6.4889 6.4889 7.8754 7.8754 8.6231 8.6231 9.4839 9.4839 10.2473 10.2473 10.5804 10.5804 10.8913 10.8913 10.9252 10.9252 11.1255 11.1255 11.3811 11.3811 11.6425 11.6425 12.2249 12.2249 12.3469 12.3469 12.4767 12.4767 12.5791 12.5791 12.7884 12.7884 13.2163 13.2163 13.2919 13.2919 13.5579 13.5579 13.7777 13.7777 13.8408 13.8408 14.7782 14.7782 14.9477 14.9477 15.0870 15.0870 17.5717 17.5717 17.7542 17.7542 20.5742 20.5742 k =-0.1778 0.1069 0.5835 ( 1702 PWs) bands (ev): 3.6273 3.6273 6.5196 6.5196 7.8369 7.8369 8.6418 8.6418 9.4025 9.4025 10.2456 10.2456 10.5878 10.5878 10.8833 10.8833 10.9368 10.9368 11.1579 11.1579 11.3915 11.3915 11.6371 11.6371 12.2095 12.2095 12.3491 12.3491 12.4801 12.4801 12.5656 12.5656 12.8030 12.8030 13.2301 13.2301 13.2938 13.2938 13.5353 13.5353 13.7562 13.7562 13.8366 13.8366 14.7162 14.7162 14.9578 14.9578 15.0514 15.0514 17.4294 17.4294 17.8640 17.8640 20.6420 20.6420 k =-0.1889 0.1136 0.5835 ( 1702 PWs) bands (ev): 3.6592 3.6592 6.5519 6.5519 7.7980 7.7980 8.6617 8.6617 9.3197 9.3197 10.2437 10.2437 10.5955 10.5955 10.8708 10.8708 10.9521 10.9521 11.1899 11.1899 11.4030 11.4030 11.6302 11.6302 12.1929 12.1929 12.3504 12.3504 12.4832 12.4832 12.5524 12.5524 12.8210 12.8210 13.2367 13.2367 13.3023 13.3023 13.5118 13.5118 13.7338 13.7338 13.8324 13.8324 14.6553 14.6553 14.9648 14.9648 15.0200 15.0200 17.2857 17.2857 17.9769 17.9769 20.7149 20.7149 k =-0.2000 0.1203 0.5835 ( 1702 PWs) bands (ev): 3.6927 3.6927 6.5856 6.5856 7.7587 7.7587 8.6826 8.6826 9.2356 9.2356 10.2420 10.2420 10.6036 10.6036 10.8560 10.8560 10.9690 10.9690 11.2215 11.2215 11.4152 11.4152 11.6219 11.6219 12.1751 12.1751 12.3505 12.3505 12.4864 12.4864 12.5393 12.5393 12.8420 12.8420 13.2368 13.2368 13.3162 13.3162 13.4872 13.4872 13.7111 13.7111 13.8282 13.8282 14.5958 14.5958 14.9554 14.9554 15.0053 15.0053 17.1431 17.1431 18.0910 18.0910 20.7920 20.7920 k =-0.2111 0.1270 0.5835 ( 1700 PWs) bands (ev): 3.7277 3.7277 6.6206 6.6206 7.7194 7.7194 8.7046 8.7046 9.1506 9.1506 10.2403 10.2403 10.6119 10.6119 10.8394 10.8394 10.9867 10.9867 11.2528 11.2528 11.4282 11.4282 11.6123 11.6123 12.1569 12.1569 12.3492 12.3492 12.4898 12.4898 12.5265 12.5265 12.8657 12.8657 13.2331 13.2331 13.3324 13.3324 13.4618 13.4618 13.6886 13.6886 13.8240 13.8240 14.5378 14.5378 14.9265 14.9265 15.0101 15.0101 17.0027 17.0027 18.2058 18.2058 20.7841 20.7841 k =-0.2222 0.1337 0.5835 ( 1704 PWs) bands (ev): 3.7641 3.7641 6.6568 6.6568 7.6804 7.6804 8.7276 8.7276 9.0647 9.0647 10.2386 10.2386 10.6204 10.6204 10.8213 10.8213 11.0049 11.0049 11.2837 11.2837 11.4418 11.4418 11.6015 11.6015 12.1378 12.1378 12.3460 12.3460 12.4933 12.4933 12.5139 12.5139 12.8918 12.8918 13.2274 13.2274 13.3481 13.3481 13.4356 13.4356 13.6673 13.6673 13.8196 13.8196 14.4816 14.4816 14.8925 14.8925 15.0198 15.0198 16.8650 16.8650 18.3211 18.3211 20.7644 20.7644 k =-0.2333 0.1404 0.5835 ( 1704 PWs) bands (ev): 3.8019 3.8019 6.6940 6.6940 7.6417 7.6417 8.7515 8.7515 8.9782 8.9782 10.2370 10.2370 10.6290 10.6290 10.8016 10.8016 11.0233 11.0233 11.3144 11.3144 11.4562 11.4562 11.5900 11.5900 12.1184 12.1184 12.3412 12.3412 12.4943 12.4943 12.5048 12.5048 12.9202 12.9202 13.2208 13.2208 13.3614 13.3614 13.4088 13.4088 13.6483 13.6483 13.8151 13.8151 14.4270 14.4270 14.8576 14.8576 15.0298 15.0298 16.7307 16.7307 18.4368 18.4368 20.7448 20.7448 k =-0.2444 0.1470 0.5835 ( 1704 PWs) bands (ev): 3.8410 3.8410 6.7321 6.7321 7.6037 7.6037 8.7763 8.7763 8.8914 8.8914 10.2354 10.2354 10.6377 10.6377 10.7806 10.7806 11.0415 11.0415 11.3447 11.3447 11.4711 11.4711 11.5782 11.5782 12.0989 12.0989 12.3347 12.3347 12.4849 12.4849 12.5069 12.5069 12.9504 12.9504 13.2136 13.2136 13.3701 13.3701 13.3820 13.3820 13.6333 13.6333 13.8106 13.8106 14.3743 14.3743 14.8228 14.8228 15.0388 15.0388 16.6005 16.6005 18.5526 18.5526 20.7253 20.7253 k =-0.2556 0.1537 0.5835 ( 1708 PWs) bands (ev): 3.8812 3.8812 6.7709 6.7709 7.5665 7.5665 8.8004 8.8004 8.8059 8.8059 10.2338 10.2338 10.6461 10.6461 10.7583 10.7583 11.0593 11.0593 11.3747 11.3747 11.4865 11.4865 11.5664 11.5664 12.0794 12.0794 12.3267 12.3267 12.4724 12.4724 12.5126 12.5126 12.9821 12.9821 13.2058 13.2058 13.3536 13.3536 13.3740 13.3740 13.6239 13.6239 13.8059 13.8059 14.3233 14.3233 14.7884 14.7884 15.0460 15.0460 16.4750 16.4750 18.6683 18.6683 20.7061 20.7061 k =-0.2667 0.1604 0.5835 ( 1706 PWs) bands (ev): 3.9224 3.9224 6.8102 6.8102 7.5305 7.5305 8.7173 8.7173 8.8286 8.8286 10.2323 10.2323 10.6538 10.6538 10.7352 10.7352 11.0763 11.0763 11.4044 11.4044 11.5023 11.5023 11.5555 11.5555 12.0602 12.0602 12.3173 12.3173 12.4597 12.4597 12.5194 12.5194 13.0152 13.0152 13.1976 13.1976 13.3263 13.3263 13.3696 13.3696 13.6216 13.6216 13.8011 13.8011 14.2744 14.2744 14.7545 14.7545 15.0507 15.0507 16.3549 16.3549 18.7837 18.7837 20.6872 20.6872 k =-0.2778 0.1671 0.5835 ( 1706 PWs) bands (ev): 3.9646 3.9646 6.8497 6.8497 7.4957 7.4957 8.6308 8.6308 8.8557 8.8557 10.2309 10.2309 10.6601 10.6601 10.7123 10.7123 11.0918 11.0918 11.4331 11.4331 11.5184 11.5184 11.5461 11.5461 12.0412 12.0412 12.3065 12.3065 12.4471 12.4471 12.5266 12.5266 13.0492 13.0492 13.1889 13.1889 13.2997 13.2997 13.3578 13.3578 13.6266 13.6266 13.7963 13.7963 14.2272 14.2272 14.7212 14.7212 15.0520 15.0520 16.2412 16.2412 18.8987 18.8987 20.6687 20.6687 k =-0.2889 0.1738 0.5835 ( 1702 PWs) bands (ev): 4.0075 4.0075 6.8890 6.8890 7.4625 7.4625 8.5448 8.5448 8.8836 8.8836 10.2295 10.2295 10.6600 10.6600 10.6940 10.6940 11.1055 11.1055 11.4605 11.4605 11.5336 11.5336 11.5411 11.5411 12.0228 12.0228 12.2945 12.2945 12.4348 12.4348 12.5341 12.5341 13.0841 13.0841 13.1790 13.1790 13.2745 13.2745 13.3397 13.3397 13.6377 13.6377 13.7914 13.7914 14.1819 14.1819 14.6884 14.6884 15.0491 15.0491 16.1348 16.1348 19.0130 19.0130 20.6508 20.6508 k =-0.3000 0.1805 0.5835 ( 1706 PWs) bands (ev): 4.0510 4.0510 6.9278 6.9278 7.4314 7.4314 8.4597 8.4597 8.9121 8.9121 10.2281 10.2281 10.6443 10.6443 10.6897 10.6897 11.1168 11.1168 11.4846 11.4846 11.5381 11.5381 11.5524 11.5524 12.0048 12.0048 12.2812 12.2812 12.4227 12.4227 12.5416 12.5416 13.1186 13.1186 13.1670 13.1670 13.2525 13.2525 13.3169 13.3169 13.6534 13.6534 13.7865 13.7865 14.1384 14.1384 14.6561 14.6561 15.0409 15.0409 16.0369 16.0369 19.1264 19.1264 20.6334 20.6334 k =-0.3111 0.1871 0.5835 ( 1704 PWs) bands (ev): 4.0948 4.0948 6.9655 6.9655 7.4027 7.4027 8.3758 8.3758 8.9412 8.9412 10.2269 10.2269 10.6190 10.6190 10.6932 10.6932 11.1253 11.1253 11.5016 11.5016 11.5478 11.5478 11.5688 11.5688 11.9876 11.9876 12.2668 12.2668 12.4113 12.4113 12.5490 12.5490 13.1465 13.1465 13.1562 13.1562 13.2373 13.2373 13.2910 13.2910 13.6724 13.6724 13.7818 13.7818 14.0970 14.0970 14.6244 14.6244 15.0262 15.0262 15.9485 15.9485 19.2384 19.2384 20.6166 20.6166 k =-0.3222 0.1938 0.5835 ( 1706 PWs) bands (ev): 4.1389 4.1389 7.0013 7.0013 7.3770 7.3770 8.2935 8.2935 8.9707 8.9707 10.2257 10.2257 10.5908 10.5908 10.6977 10.6977 11.1308 11.1308 11.5113 11.5113 11.5678 11.5678 11.5855 11.5855 11.9712 11.9712 12.2511 12.2511 12.4004 12.4004 12.5563 12.5563 13.1307 13.1307 13.1754 13.1754 13.2366 13.2366 13.2636 13.2636 13.6933 13.6933 13.7773 13.7773 14.0574 14.0574 14.5931 14.5931 15.0039 15.0039 15.8708 15.8708 19.3490 19.3490 20.6005 20.6005 k =-0.3333 0.2005 0.5835 ( 1710 PWs) bands (ev): 4.1828 4.1828 7.0343 7.0343 7.3553 7.3553 8.2129 8.2129 9.0004 9.0004 10.2245 10.2245 10.5612 10.5612 10.7019 10.7019 11.1331 11.1331 11.5199 11.5199 11.5922 11.5922 11.6026 11.6026 11.9555 11.9555 12.2343 12.2343 12.3901 12.3901 12.5632 12.5632 13.1075 13.1075 13.1805 13.1805 13.2331 13.2331 13.2607 13.2607 13.7150 13.7150 13.7736 13.7736 14.0200 14.0200 14.5623 14.5623 14.9734 14.9734 15.8045 15.8045 19.4576 19.4576 20.5852 20.5852 k =-0.3444 0.2072 0.5835 ( 1706 PWs) bands (ev): 4.2265 4.2265 7.0629 7.0629 7.3390 7.3390 8.1345 8.1345 9.0303 9.0303 10.2234 10.2234 10.5309 10.5309 10.7050 10.7050 11.1327 11.1327 11.5308 11.5308 11.6150 11.6150 11.6226 11.6226 11.9408 11.9408 12.2164 12.2164 12.3807 12.3807 12.5699 12.5699 13.0820 13.0820 13.1766 13.1766 13.2052 13.2052 13.2951 13.2951 13.7352 13.7352 13.7725 13.7725 13.9847 13.9847 14.5319 14.5319 14.9342 14.9342 15.7499 15.7499 19.5640 19.5640 20.5706 20.5706 k =-0.3556 0.2139 0.5835 ( 1710 PWs) bands (ev): 4.2696 4.2696 7.0852 7.0852 7.3296 7.3296 8.0587 8.0587 9.0602 9.0602 10.2224 10.2224 10.5002 10.5002 10.7066 10.7066 11.1301 11.1301 11.5448 11.5448 11.6322 11.6322 11.6480 11.6480 11.9269 11.9269 12.1974 12.1974 12.3720 12.3720 12.5761 12.5761 13.0550 13.0550 13.1662 13.1662 13.1819 13.1819 13.3343 13.3343 13.7469 13.7469 13.7808 13.7808 13.9515 13.9515 14.5018 14.5018 14.8870 14.8870 15.7065 15.7065 19.6676 19.6676 20.5569 20.5569 k =-0.3667 0.2206 0.5835 ( 1706 PWs) bands (ev): 4.3119 4.3119 7.0996 7.0996 7.3287 7.3287 7.9859 7.9859 9.0900 9.0900 10.2215 10.2215 10.4693 10.4693 10.7066 10.7066 11.1261 11.1261 11.5618 11.5618 11.6477 11.6477 11.6743 11.6743 11.9144 11.9144 12.1773 12.1773 12.3640 12.3640 12.5818 12.5818 13.0276 13.0276 13.1422 13.1422 13.1731 13.1731 13.3756 13.3756 13.7476 13.7476 13.8007 13.8007 13.9207 13.9207 14.4720 14.4720 14.8328 14.8328 15.6732 15.6732 19.7679 19.7679 20.5440 20.5440 k =-0.3778 0.2272 0.5835 ( 1706 PWs) bands (ev): 4.3530 4.3530 7.1056 7.1056 7.3365 7.3365 7.9164 7.9164 9.1195 9.1195 10.2206 10.2206 10.4386 10.4386 10.7050 10.7050 11.1215 11.1215 11.5815 11.5815 11.6624 11.6624 11.7002 11.7002 11.9027 11.9027 12.1562 12.1562 12.3568 12.3568 12.5870 12.5870 13.0004 13.0004 13.1151 13.1151 13.1688 13.1688 13.4183 13.4183 13.7443 13.7443 13.8251 13.8251 13.8923 13.8923 14.4425 14.4425 14.7732 14.7732 15.6483 15.6483 19.8645 19.8645 20.5321 20.5321 k =-0.3889 0.2339 0.5835 ( 1714 PWs) bands (ev): 4.3925 4.3925 7.1044 7.1044 7.3515 7.3515 7.8506 7.8506 9.1482 9.1482 10.2197 10.2197 10.4081 10.4081 10.7015 10.7015 11.1167 11.1167 11.6033 11.6033 11.6762 11.6762 11.7252 11.7252 11.8919 11.8919 12.1343 12.1343 12.3503 12.3503 12.5916 12.5916 12.9738 12.9738 13.0886 13.0886 13.1654 13.1654 13.4619 13.4619 13.7399 13.7399 13.8506 13.8506 13.8665 13.8665 14.4132 14.4132 14.7099 14.7099 15.6301 15.6301 19.9568 19.9568 20.5210 20.5210 k =-0.4000 0.2406 0.5835 ( 1706 PWs) bands (ev): 4.4300 4.4300 7.0986 7.0986 7.3710 7.3710 7.7892 7.7892 9.1762 9.1762 10.2189 10.2189 10.3789 10.3789 10.6968 10.6968 11.1125 11.1125 11.6269 11.6269 11.6894 11.6894 11.7492 11.7492 11.8824 11.8824 12.1115 12.1115 12.3446 12.3446 12.5958 12.5958 12.9482 12.9482 13.0635 13.0635 13.1629 13.1629 13.5067 13.5067 13.7351 13.7351 13.8432 13.8432 13.8773 13.8773 14.3839 14.3839 14.6446 14.6446 15.6172 15.6172 20.0439 20.0439 20.5110 20.5110 k =-0.4111 0.2473 0.5835 ( 1704 PWs) bands (ev): 4.4652 4.4652 7.0903 7.0903 7.3924 7.3924 7.7326 7.7326 9.2030 9.2030 10.2180 10.2180 10.3508 10.3508 10.6907 10.6907 11.1090 11.1090 11.6517 11.6517 11.7014 11.7014 11.7719 11.7719 11.8740 11.8740 12.0880 12.0880 12.3396 12.3396 12.5993 12.5993 12.9239 12.9239 13.0403 13.0403 13.1609 13.1609 13.5517 13.5517 13.7299 13.7299 13.8234 13.8234 13.9038 13.9038 14.3547 14.3547 14.5786 14.5786 15.6083 15.6083 20.1253 20.1253 20.5020 20.5020 k =-0.4222 0.2540 0.5835 ( 1712 PWs) bands (ev): 4.4976 4.4976 7.0810 7.0810 7.4140 7.4140 7.6811 7.6811 9.2282 9.2282 10.2170 10.2170 10.3244 10.3244 10.6838 10.6838 11.1063 11.1063 11.6773 11.6773 11.7124 11.7124 11.7927 11.7927 11.8666 11.8666 12.0636 12.0636 12.3352 12.3352 12.6022 12.6022 12.9011 12.9011 13.0190 13.0190 13.1592 13.1592 13.5966 13.5966 13.7245 13.7245 13.8071 13.8071 13.9305 13.9305 14.3253 14.3253 14.5130 14.5130 15.6021 15.6021 20.2000 20.2000 20.4940 20.4940 k =-0.4333 0.2607 0.5835 ( 1712 PWs) bands (ev): 4.5268 4.5268 7.0718 7.0718 7.4344 7.4344 7.6354 7.6354 9.2514 9.2514 10.2159 10.2159 10.3003 10.3003 10.6764 10.6764 11.1044 11.1044 11.7028 11.7028 11.7229 11.7229 11.8115 11.8115 11.8608 11.8608 12.0388 12.0388 12.3314 12.3314 12.6045 12.6045 12.8804 12.8804 13.0001 13.0001 13.1580 13.1580 13.6408 13.6408 13.7188 13.7188 13.7953 13.7953 13.9572 13.9572 14.2956 14.2956 14.4494 14.4494 15.5980 15.5980 20.2672 20.2672 20.4870 20.4870 k =-0.4444 0.2673 0.5835 ( 1712 PWs) bands (ev): 4.5524 4.5524 7.0634 7.0634 7.4526 7.4526 7.5959 7.5959 9.2723 9.2723 10.2145 10.2145 10.2792 10.2792 10.6691 10.6691 11.1033 11.1033 11.7237 11.7237 11.7370 11.7370 11.8273 11.8273 11.8570 11.8570 12.0134 12.0134 12.3283 12.3283 12.6064 12.6064 12.8620 12.8620 12.9838 12.9838 13.1571 13.1571 13.6816 13.6816 13.7134 13.7134 13.7898 13.7898 13.9837 13.9837 14.2649 14.2649 14.3891 14.3891 15.5954 15.5954 20.3261 20.3261 20.4812 20.4812 k =-0.4556 0.2740 0.5835 ( 1712 PWs) bands (ev): 4.5740 4.5740 7.0562 7.0562 7.4679 7.4679 7.5633 7.5633 9.2902 9.2902 10.2126 10.2126 10.2617 10.2617 10.6625 10.6625 11.1026 11.1026 11.7337 11.7337 11.7607 11.7607 11.8382 11.8382 11.8567 11.8567 11.9877 11.9877 12.3259 12.3259 12.6078 12.6078 12.8464 12.8464 12.9702 12.9702 13.1564 13.1564 13.7045 13.7045 13.7169 13.7169 13.7957 13.7957 14.0097 14.0097 14.2326 14.2326 14.3341 14.3341 15.5937 15.5937 20.3757 20.3757 20.4764 20.4764 k =-0.4667 0.2807 0.5835 ( 1712 PWs) bands (ev): 4.5912 4.5912 7.0503 7.0503 7.4794 7.4794 7.5384 7.5384 9.3048 9.3048 10.2100 10.2100 10.2486 10.2486 10.6568 10.6568 11.1024 11.1024 11.7396 11.7396 11.7862 11.7862 11.8425 11.8425 11.8621 11.8621 11.9618 11.9618 12.3239 12.3239 12.6088 12.6088 12.8339 12.8339 12.9595 12.9595 13.1560 13.1560 13.7010 13.7010 13.7316 13.7316 13.8182 13.8182 14.0347 14.0347 14.1979 14.1979 14.2872 14.2872 15.5927 15.5927 20.4150 20.4150 20.4730 20.4730 k =-0.4778 0.2874 0.5835 ( 1712 PWs) bands (ev): 4.6037 4.6037 7.0460 7.0460 7.4860 7.4860 7.5222 7.5222 9.3156 9.3156 10.2068 10.2068 10.2402 10.2402 10.6524 10.6524 11.1023 11.1023 11.7436 11.7436 11.8095 11.8095 11.8452 11.8452 11.8691 11.8691 11.9359 11.9359 12.3226 12.3226 12.6095 12.6095 12.8247 12.8247 12.9518 12.9518 13.1557 13.1557 13.6972 13.6972 13.7362 13.7362 13.8499 13.8499 14.0581 14.0581 14.1619 14.1619 14.2510 14.2510 15.5922 15.5922 20.4430 20.4430 20.4712 20.4712 k =-0.4889 0.2941 0.5835 ( 1710 PWs) bands (ev): 4.6114 4.6114 7.0434 7.0434 7.4871 7.4871 7.5153 7.5153 9.3223 9.3223 10.2040 10.2040 10.2358 10.2358 10.6497 10.6497 11.1024 11.1024 11.7459 11.7459 11.8243 11.8243 11.8537 11.8537 11.8751 11.8751 11.9110 11.9110 12.3218 12.3218 12.6099 12.6099 12.8192 12.8192 12.9472 12.9472 13.1555 13.1555 13.6947 13.6947 13.7372 13.7372 13.8772 13.8772 14.0788 14.0788 14.1292 14.1292 14.2272 14.2272 15.5919 15.5919 20.4577 20.4577 20.4725 20.4725 k =-0.5000 0.3008 0.5835 ( 1708 PWs) bands (ev): 4.6139 4.6139 7.0426 7.0426 7.4865 7.4865 7.5140 7.5140 9.3245 9.3245 10.2029 10.2029 10.2345 10.2345 10.6488 10.6488 11.1024 11.1024 11.7467 11.7467 11.8280 11.8280 11.8620 11.8620 11.8818 11.8818 11.8941 11.8941 12.3215 12.3215 12.6100 12.6100 12.8173 12.8173 12.9457 12.9457 13.1554 13.1554 13.6939 13.6939 13.7374 13.7374 13.8884 13.8884 14.0925 14.0925 14.1104 14.1104 14.2187 14.2187 15.5919 15.5919 20.4608 20.4608 20.4748 20.4748 k =-0.5000 0.3008 0.5835 ( 1708 PWs) bands (ev): 4.6139 4.6139 7.0426 7.0426 7.4865 7.4865 7.5140 7.5140 9.3245 9.3245 10.2029 10.2029 10.2345 10.2345 10.6488 10.6488 11.1024 11.1024 11.7467 11.7467 11.8280 11.8280 11.8620 11.8620 11.8818 11.8818 11.8941 11.8941 12.3215 12.3215 12.6100 12.6100 12.8173 12.8173 12.9457 12.9457 13.1554 13.1554 13.6939 13.6939 13.7374 13.7374 13.8884 13.8884 14.0925 14.0925 14.1104 14.1104 14.2187 14.2187 15.5919 15.5919 20.4608 20.4608 20.4748 20.4748 k =-0.4921 0.2960 0.5742 ( 1710 PWs) bands (ev): 4.6113 4.6113 7.0434 7.0434 7.4875 7.4875 7.5149 7.5149 9.3222 9.3222 10.2041 10.2041 10.2358 10.2358 10.6497 10.6497 11.1024 11.1024 11.7459 11.7459 11.8243 11.8243 11.8539 11.8539 11.8745 11.8745 11.9115 11.9115 12.3218 12.3218 12.6099 12.6099 12.8192 12.8192 12.9472 12.9472 13.1555 13.1555 13.6947 13.6947 13.7373 13.7373 13.8769 13.8769 14.0805 14.0805 14.1268 14.1268 14.2283 14.2283 15.5919 15.5919 20.4581 20.4581 20.4720 20.4720 k =-0.4841 0.2912 0.5650 ( 1712 PWs) bands (ev): 4.6035 4.6035 7.0461 7.0461 7.4903 7.4903 7.5180 7.5180 9.3154 9.3154 10.2073 10.2073 10.2399 10.2399 10.6526 10.6526 11.1023 11.1023 11.7435 11.7435 11.8091 11.8091 11.8453 11.8453 11.8686 11.8686 11.9365 11.9365 12.3226 12.3226 12.6095 12.6095 12.8249 12.8249 12.9519 12.9519 13.1556 13.1556 13.6970 13.6970 13.7364 13.7364 13.8485 13.8485 14.0697 14.0697 14.1424 14.1424 14.2607 14.2607 15.5922 15.5922 20.4496 20.4496 20.4641 20.4641 k =-0.4762 0.2864 0.5557 ( 1712 PWs) bands (ev): 4.5905 4.5905 7.0506 7.0506 7.4946 7.4946 7.5236 7.5236 9.3044 9.3044 10.2114 10.2114 10.2477 10.2477 10.6572 10.6572 11.1022 11.1022 11.7394 11.7394 11.7850 11.7850 11.8428 11.8428 11.8621 11.8621 11.9623 11.9623 12.3242 12.3242 12.6089 12.6089 12.8342 12.8342 12.9597 12.9597 13.1559 13.1559 13.7001 13.7001 13.7319 13.7319 13.8154 13.8154 14.0631 14.0631 14.1470 14.1470 14.3141 14.3141 15.5925 15.5925 20.4351 20.4351 20.4516 20.4516 k =-0.4683 0.2817 0.5464 ( 1712 PWs) bands (ev): 4.5725 4.5725 7.0569 7.0569 7.5001 7.5001 7.5320 7.5320 9.2894 9.2894 10.2156 10.2156 10.2597 10.2597 10.6637 10.6637 11.1020 11.1020 11.7331 11.7331 11.7587 11.7587 11.8391 11.8391 11.8570 11.8570 11.9878 11.9878 12.3265 12.3265 12.6080 12.6080 12.8470 12.8470 12.9705 12.9705 13.1563 13.1563 13.7004 13.7004 13.7181 13.7181 13.7929 13.7929 14.0587 14.0587 14.1446 14.1446 14.3808 14.3808 15.5930 15.5930 20.4141 20.4141 20.4352 20.4352 k =-0.4603 0.2769 0.5372 ( 1712 PWs) bands (ev): 4.5496 4.5496 7.0649 7.0649 7.5062 7.5062 7.5437 7.5437 9.2709 9.2709 10.2195 10.2195 10.2758 10.2758 10.6718 10.6718 11.1019 11.1019 11.7216 11.7216 11.7352 11.7352 11.8290 11.8290 11.8570 11.8570 12.0129 12.0129 12.3298 12.3298 12.6070 12.6070 12.8629 12.8629 12.9841 12.9841 13.1568 13.1568 13.6740 13.6740 13.7139 13.7139 13.7890 13.7890 14.0551 14.0551 14.1382 14.1382 14.4561 14.4561 15.5935 15.5935 20.3868 20.3868 20.4151 20.4151 k =-0.4524 0.2721 0.5279 ( 1712 PWs) bands (ev): 4.5218 4.5218 7.0748 7.0748 7.5129 7.5129 7.5587 7.5587 9.2494 9.2494 10.2232 10.2232 10.2953 10.2953 10.6814 10.6814 11.1017 11.1017 11.6976 11.6976 11.7222 11.7222 11.8140 11.8140 11.8606 11.8606 12.0373 12.0373 12.3342 12.3342 12.6057 12.6057 12.8816 12.8816 13.0003 13.0003 13.1574 13.1574 13.6311 13.6311 13.7176 13.7176 13.7964 13.7964 14.0518 14.0518 14.1292 14.1292 14.5379 14.5379 15.5941 15.5941 20.3534 20.3534 20.3918 20.3918 k =-0.4444 0.2673 0.5187 ( 1712 PWs) bands (ev): 4.4896 4.4896 7.0865 7.0865 7.5204 7.5204 7.5770 7.5770 9.2253 9.2253 10.2269 10.2269 10.3177 10.3177 10.6924 10.6924 11.1017 11.1017 11.6697 11.6697 11.7115 11.7115 11.7960 11.7960 11.8661 11.8661 12.0610 12.0610 12.3397 12.3397 12.6042 12.6042 12.9027 12.9027 13.0189 13.0189 13.1583 13.1583 13.5848 13.5848 13.7217 13.7217 13.8101 13.8101 14.0486 14.0486 14.1182 14.1182 14.6253 14.6253 15.5946 15.5946 20.3143 20.3143 20.3654 20.3654 k =-0.4365 0.2626 0.5094 ( 1712 PWs) bands (ev): 4.4529 4.4529 7.0999 7.0999 7.5286 7.5286 7.5985 7.5985 9.1990 9.1990 10.2309 10.2309 10.3422 10.3422 10.7046 10.7046 11.1016 11.1016 11.6413 11.6413 11.7002 11.7002 11.7755 11.7755 11.8727 11.8727 12.0838 12.0838 12.3465 12.3465 12.6028 12.6028 12.9259 12.9259 13.0395 13.0395 13.1592 13.1592 13.5380 13.5380 13.7257 13.7257 13.8282 13.8282 14.0454 14.0454 14.1055 14.1055 14.7179 14.7179 15.5950 15.5950 20.2698 20.2698 20.3361 20.3361 k =-0.4286 0.2578 0.5001 ( 1710 PWs) bands (ev): 4.4120 4.4120 7.1152 7.1152 7.5379 7.5379 7.6230 7.6230 9.1710 9.1710 10.2352 10.2352 10.3683 10.3683 10.7179 10.7179 11.1016 11.1016 11.6129 11.6129 11.6877 11.6877 11.7532 11.7532 11.8802 11.8802 12.1058 12.1058 12.3545 12.3545 12.6013 12.6013 12.9507 12.9507 13.0619 13.0619 13.1603 13.1603 13.4916 13.4916 13.7295 13.7295 13.8497 13.8497 14.0422 14.0422 14.0916 14.0916 14.8156 14.8156 15.5953 15.5953 20.2202 20.2202 20.3044 20.3044 k =-0.4206 0.2530 0.4909 ( 1706 PWs) bands (ev): 4.3673 4.3673 7.1324 7.1324 7.5481 7.5481 7.6505 7.6505 9.1416 9.1416 10.2399 10.2399 10.3955 10.3955 10.7321 10.7321 11.1017 11.1017 11.5848 11.5848 11.6741 11.6741 11.7293 11.7293 11.8887 11.8887 12.1269 12.1269 12.3636 12.3636 12.6000 12.6000 12.9770 12.9770 13.0857 13.0857 13.1616 13.1616 13.4459 13.4459 13.7333 13.7333 13.8742 13.8742 14.0388 14.0388 14.0771 14.0771 14.9180 14.9180 15.5954 15.5954 20.1660 20.1660 20.2705 20.2705 k =-0.4127 0.2483 0.4816 ( 1702 PWs) bands (ev): 4.3189 4.3189 7.1513 7.1513 7.5596 7.5596 7.6807 7.6807 9.1111 9.1111 10.2454 10.2454 10.4236 10.4236 10.7469 10.7469 11.1020 11.1020 11.5571 11.5571 11.6593 11.6593 11.7041 11.7041 11.8981 11.8981 12.1468 12.1468 12.3736 12.3736 12.5989 12.5989 13.0041 13.0041 13.1107 13.1107 13.1632 13.1632 13.4010 13.4010 13.7371 13.7371 13.9012 13.9012 14.0347 14.0347 14.0628 14.0628 15.0252 15.0252 15.5953 15.5953 20.1075 20.1075 20.2348 20.2348 k =-0.4048 0.2435 0.4723 ( 1706 PWs) bands (ev): 4.2672 4.2672 7.1719 7.1719 7.5722 7.5722 7.7137 7.7137 9.0797 9.0797 10.2509 10.2509 10.4520 10.4520 10.7622 10.7622 11.1022 11.1022 11.5298 11.5298 11.6434 11.6434 11.6779 11.6779 11.9083 11.9083 12.1657 12.1657 12.3845 12.3845 12.5981 12.5981 13.0318 13.0318 13.1366 13.1366 13.1652 13.1652 13.3571 13.3571 13.7408 13.7408 13.9300 13.9300 14.0274 14.0274 14.0519 14.0519 15.1369 15.1369 15.5948 15.5948 20.0449 20.0449 20.1975 20.1975 k =-0.3968 0.2387 0.4631 ( 1706 PWs) bands (ev): 4.2123 4.2123 7.1943 7.1943 7.5860 7.5860 7.7494 7.7494 9.0478 9.0478 10.2569 10.2569 10.4805 10.4805 10.7777 10.7777 11.1028 11.1028 11.5031 11.5031 11.6265 11.6265 11.6509 11.6509 11.9193 11.9193 12.1835 12.1835 12.3962 12.3962 12.5976 12.5976 13.0592 13.0592 13.1629 13.1629 13.1679 13.1679 13.3145 13.3145 13.7446 13.7446 13.9598 13.9598 14.0146 14.0146 14.0479 14.0479 15.2530 15.2530 15.5944 15.5944 19.9787 19.9787 20.1590 20.1590 k =-0.3889 0.2339 0.4538 ( 1708 PWs) bands (ev): 4.1547 4.1547 7.2185 7.2185 7.6012 7.6012 7.7877 7.7877 9.0155 9.0155 10.2634 10.2634 10.5088 10.5088 10.7933 10.7933 11.1035 11.1035 11.4772 11.4772 11.6086 11.6086 11.6232 11.6232 11.9311 11.9311 12.2002 12.2002 12.4084 12.4084 12.5976 12.5976 13.0856 13.0856 13.1707 13.1707 13.1901 13.1901 13.2737 13.2737 13.7484 13.7484 13.9874 13.9874 13.9990 13.9990 14.0517 14.0517 15.3727 15.3727 15.5944 15.5944 19.9092 19.9092 20.1195 20.1195 k =-0.3810 0.2292 0.4446 ( 1706 PWs) bands (ev): 4.0946 4.0946 7.2446 7.2446 7.6177 7.6177 7.8285 7.8285 8.9829 8.9829 10.2704 10.2704 10.5368 10.5368 10.8088 10.8088 11.1044 11.1044 11.4522 11.4522 11.5898 11.5898 11.5953 11.5953 11.9435 11.9435 12.2156 12.2156 12.4212 12.4212 12.5981 12.5981 13.1091 13.1091 13.1734 13.1734 13.2165 13.2165 13.2379 13.2379 13.7523 13.7523 13.9798 13.9798 14.0106 14.0106 14.0667 14.0667 15.4921 15.4921 15.5988 15.5988 19.8367 19.8367 20.0793 20.0793 k =-0.3730 0.2244 0.4353 ( 1706 PWs) bands (ev): 4.0322 4.0322 7.2723 7.2723 7.6356 7.6356 7.8717 7.8717 8.9503 8.9503 10.2778 10.2778 10.5641 10.5641 10.8240 10.8240 11.1055 11.1055 11.4281 11.4281 11.5667 11.5667 11.5707 11.5707 11.9567 11.9567 12.2298 12.2298 12.4342 12.4342 12.5991 12.5991 13.1270 13.1270 13.1658 13.1658 13.2170 13.2170 13.2446 13.2446 13.7562 13.7562 13.9617 13.9617 14.0223 14.0223 14.0952 14.0952 15.5668 15.5668 15.6515 15.6515 19.7615 19.7615 20.0385 20.0385 k =-0.3651 0.2196 0.4260 ( 1706 PWs) bands (ev): 3.9678 3.9678 7.3017 7.3017 7.6548 7.6548 7.9174 7.9174 8.9178 8.9178 10.2858 10.2858 10.5906 10.5906 10.8385 10.8385 11.1068 11.1068 11.4050 11.4050 11.5385 11.5385 11.5503 11.5503 11.9704 11.9704 12.2427 12.2427 12.4474 12.4474 12.6006 12.6006 13.1283 13.1283 13.1474 13.1474 13.2253 13.2253 13.2709 13.2709 13.7601 13.7601 13.9436 13.9436 14.0297 14.0297 14.1320 14.1320 15.5741 15.5741 15.7753 15.7753 19.6840 19.6840 19.9974 19.9974 k =-0.3571 0.2148 0.4168 ( 1698 PWs) bands (ev): 3.9018 3.9018 7.3329 7.3329 7.6754 7.6754 7.9653 7.9653 8.8854 8.8854 10.2943 10.2943 10.6162 10.6162 10.8524 10.8524 11.1086 11.1086 11.3833 11.3833 11.5103 11.5103 11.5295 11.5295 11.9849 11.9849 12.2542 12.2542 12.4606 12.4606 12.6028 12.6028 13.0959 13.0959 13.1510 13.1510 13.2456 13.2456 13.2968 13.2968 13.7641 13.7641 13.9260 13.9260 14.0368 14.0368 14.1732 14.1732 15.5721 15.5721 15.9117 15.9117 19.6044 19.6044 19.9561 19.9561 k =-0.3492 0.2101 0.4075 ( 1694 PWs) bands (ev): 3.8343 3.8343 7.3657 7.3657 7.6974 7.6974 8.0155 8.0155 8.8533 8.8533 10.3033 10.3033 10.6408 10.6408 10.8651 10.8651 11.1105 11.1105 11.3628 11.3628 11.4824 11.4824 11.5084 11.5084 11.9999 11.9999 12.2644 12.2644 12.4737 12.4737 12.6056 12.6056 13.0585 13.0585 13.1553 13.1553 13.2697 13.2697 13.3221 13.3221 13.7681 13.7681 13.9091 13.9091 14.0449 14.0449 14.2173 14.2173 15.5680 15.5680 16.0532 16.0532 19.5230 19.5230 19.9147 19.9147 k =-0.3413 0.2053 0.3983 ( 1694 PWs) bands (ev): 3.7657 3.7657 7.4000 7.4000 7.7208 7.7208 8.0678 8.0678 8.8213 8.8213 10.3130 10.3130 10.6640 10.6640 10.8766 10.8766 11.1125 11.1125 11.3437 11.3437 11.4546 11.4546 11.4866 11.4866 12.0153 12.0153 12.2733 12.2733 12.4862 12.4862 12.6089 12.6089 13.0207 13.0207 13.1586 13.1586 13.2948 13.2948 13.3464 13.3464 13.7720 13.7720 13.8933 13.8933 14.0550 14.0550 14.2637 14.2637 15.5627 15.5627 16.1987 16.1987 19.4402 19.4402 19.8734 19.8734 k =-0.3333 0.2005 0.3890 ( 1694 PWs) bands (ev): 3.6960 3.6960 7.4359 7.4359 7.7456 7.7456 8.1221 8.1221 8.7900 8.7900 10.3230 10.3230 10.6861 10.6861 10.8867 10.8867 11.1147 11.1147 11.3260 11.3260 11.4271 11.4271 11.4644 11.4644 12.0312 12.0312 12.2809 12.2809 12.4982 12.4982 12.6127 12.6127 12.9831 12.9831 13.1612 13.1612 13.3195 13.3195 13.3698 13.3698 13.7758 13.7758 13.8789 13.8789 14.0674 14.0674 14.3122 14.3122 15.5564 15.5564 16.3476 16.3476 19.3560 19.3560 19.8323 19.8323 k =-0.3254 0.1957 0.3797 ( 1690 PWs) bands (ev): 3.6257 3.6257 7.4735 7.4735 7.7718 7.7718 8.1784 8.1784 8.7591 8.7591 10.3336 10.3336 10.7065 10.7065 10.8950 10.8950 11.1172 11.1172 11.3100 11.3100 11.4002 11.4002 11.4420 11.4420 12.0476 12.0476 12.2872 12.2872 12.5096 12.5096 12.6170 12.6170 12.9462 12.9462 13.1634 13.1634 13.3432 13.3432 13.3925 13.3925 13.7793 13.7793 13.8663 13.8663 14.0824 14.0824 14.3627 14.3627 15.5492 15.5492 16.4994 16.4994 19.2709 19.2709 19.7915 19.7915 k =-0.3175 0.1910 0.3705 ( 1696 PWs) bands (ev): 3.5549 3.5549 7.5124 7.5124 7.7993 7.7993 8.2365 8.2365 8.7287 8.7287 10.3443 10.3443 10.7254 10.7254 10.9014 10.9014 11.1198 11.1198 11.2957 11.2957 11.3739 11.3739 11.4192 11.4192 12.0640 12.0640 12.2921 12.2921 12.5202 12.5202 12.6215 12.6215 12.9098 12.9098 13.1653 13.1653 13.3650 13.3650 13.4143 13.4143 13.7826 13.7826 13.8556 13.8556 14.1002 14.1002 14.4150 14.4150 15.5413 15.5413 16.6536 16.6536 19.1851 19.1851 19.7509 19.7509 k =-0.3095 0.1862 0.3612 ( 1700 PWs) bands (ev): 3.4839 3.4839 7.5528 7.5528 7.8282 7.8282 8.2964 8.2964 8.6988 8.6988 10.3556 10.3556 10.7428 10.7428 10.9057 10.9057 11.1225 11.1225 11.2828 11.2828 11.3485 11.3485 11.3963 11.3963 12.0811 12.0811 12.2959 12.2959 12.5298 12.5298 12.6264 12.6264 12.8743 12.8743 13.1670 13.1670 13.3845 13.3845 13.4355 13.4355 13.7857 13.7857 13.8473 13.8473 14.1210 14.1210 14.4691 14.4691 15.5326 15.5326 16.8098 16.8098 19.0987 19.0987 19.7107 19.7107 k =-0.3016 0.1814 0.3519 ( 1704 PWs) bands (ev): 3.4127 3.4127 7.5946 7.5946 7.8586 7.8586 8.3579 8.3579 8.6696 8.6696 10.3676 10.3676 10.7587 10.7587 10.9078 10.9078 11.1253 11.1253 11.2708 11.2708 11.3242 11.3242 11.3734 11.3734 12.0984 12.0984 12.2985 12.2985 12.5381 12.5381 12.6312 12.6312 12.8398 12.8398 13.1685 13.1685 13.4013 13.4013 13.4561 13.4561 13.7885 13.7885 13.8415 13.8415 14.1448 14.1448 14.5251 14.5251 15.5232 15.5232 16.9674 16.9674 19.0119 19.0119 19.6710 19.6710 k =-0.2937 0.1766 0.3427 ( 1704 PWs) bands (ev): 3.3417 3.3417 7.6376 7.6376 7.8902 7.8902 8.4210 8.4210 8.6410 8.6410 10.3800 10.3800 10.7729 10.7729 10.9079 10.9079 11.1283 11.1283 11.2591 11.2591 11.3022 11.3022 11.3506 11.3506 12.1160 12.1160 12.3002 12.3002 12.5454 12.5454 12.6359 12.6359 12.8068 12.8068 13.1700 13.1700 13.4154 13.4154 13.4763 13.4763 13.7910 13.7910 13.8386 13.8386 14.1715 14.1715 14.5827 14.5827 15.5131 15.5131 17.1258 17.1258 18.9251 18.9251 19.6317 19.6317 k =-0.2857 0.1719 0.3334 ( 1704 PWs) bands (ev): 3.2709 3.2709 7.6820 7.6820 7.9232 7.9232 8.4854 8.4854 8.6131 8.6131 10.3929 10.3929 10.7856 10.7856 10.9058 10.9058 11.1314 11.1314 11.2455 11.2455 11.2839 11.2839 11.3278 11.3278 12.1337 12.1337 12.3008 12.3008 12.5513 12.5513 12.6401 12.6401 12.7756 12.7756 13.1713 13.1713 13.4270 13.4270 13.4956 13.4956 13.7934 13.7934 13.8386 13.8386 14.2010 14.2010 14.6421 14.6421 15.5025 15.5025 17.2843 17.2843 18.8384 18.8384 19.5928 19.5928 k =-0.2778 0.1671 0.3242 ( 1708 PWs) bands (ev): 3.2006 3.2006 7.7275 7.7275 7.9575 7.9575 8.5510 8.5510 8.5861 8.5861 10.4063 10.4063 10.7967 10.7967 10.9015 10.9015 11.1345 11.1345 11.2284 11.2284 11.2709 11.2709 11.3050 11.3050 12.1514 12.1514 12.3006 12.3006 12.5556 12.5556 12.6430 12.6430 12.7472 12.7472 13.1724 13.1724 13.4362 13.4362 13.5140 13.5140 13.7957 13.7957 13.8416 13.8416 14.2332 14.2332 14.7030 14.7030 15.4915 15.4915 17.4421 17.4421 18.7520 18.7520 19.5544 19.5544 k =-0.2698 0.1623 0.3149 ( 1708 PWs) bands (ev): 3.1309 3.1309 7.7741 7.7741 7.9931 7.9931 8.5592 8.5592 8.6183 8.6183 10.4200 10.4200 10.8061 10.8061 10.8957 10.8957 11.1377 11.1377 11.2084 11.2084 11.2620 11.2620 11.2826 11.2826 12.1692 12.1692 12.2996 12.2996 12.5580 12.5580 12.6432 12.6432 12.7236 12.7236 13.1734 13.1734 13.4433 13.4433 13.5310 13.5310 13.7983 13.7983 13.8475 13.8475 14.2679 14.2679 14.7656 14.7656 15.4800 15.4800 17.5983 17.5983 18.6660 18.6660 19.5164 19.5164 k =-0.2619 0.1575 0.3056 ( 1708 PWs) bands (ev): 3.0620 3.0620 7.8218 7.8218 8.0300 8.0300 8.5336 8.5336 8.6861 8.6861 10.4342 10.4342 10.8140 10.8140 10.8883 10.8883 11.1406 11.1406 11.1871 11.1871 11.2552 11.2552 11.2610 11.2610 12.1868 12.1868 12.2980 12.2980 12.5582 12.5582 12.6383 12.6383 12.7076 12.7076 13.1743 13.1743 13.4486 13.4486 13.5463 13.5463 13.8010 13.8010 13.8565 13.8565 14.3048 14.3048 14.8298 14.8298 15.4683 15.4683 17.7520 17.7520 18.5807 18.5807 19.4788 19.4788 k =-0.2540 0.1528 0.2964 ( 1706 PWs) bands (ev): 2.9939 2.9939 7.8705 7.8705 8.0682 8.0682 8.5086 8.5086 8.7548 8.7548 10.4487 10.4487 10.8202 10.8202 10.8798 10.8798 11.1427 11.1427 11.1662 11.1662 11.2386 11.2386 11.2506 11.2506 12.2041 12.2041 12.2959 12.2959 12.5554 12.5554 12.6277 12.6277 12.7009 12.7009 13.1751 13.1751 13.4523 13.4523 13.5598 13.5598 13.8038 13.8038 13.8689 13.8689 14.3439 14.3439 14.8955 14.8955 15.4564 15.4564 17.9020 17.9020 18.4961 18.4961 19.4417 19.4417 k =-0.2460 0.1480 0.2871 ( 1706 PWs) bands (ev): 2.9270 2.9270 7.9201 7.9201 8.1077 8.1077 8.4845 8.4845 8.8241 8.8241 10.4636 10.4636 10.8247 10.8247 10.8704 10.8704 11.1371 11.1371 11.1522 11.1522 11.2179 11.2179 11.2453 11.2453 12.2207 12.2207 12.2934 12.2934 12.5488 12.5488 12.6147 12.6147 12.7010 12.7010 13.1756 13.1756 13.4546 13.4546 13.5713 13.5713 13.8065 13.8065 13.8846 13.8846 14.3849 14.3849 14.9627 14.9627 15.4444 15.4444 18.0471 18.0471 18.4126 18.4126 19.4049 19.4049 k =-0.2381 0.1432 0.2779 ( 1706 PWs) bands (ev): 2.8611 2.8611 7.9705 7.9705 8.1484 8.1484 8.4611 8.4611 8.8939 8.8939 10.4788 10.4788 10.8270 10.8270 10.8608 10.8608 11.1181 11.1181 11.1508 11.1508 11.1984 11.1984 11.2399 11.2399 12.2364 12.2364 12.2910 12.2910 12.5382 12.5382 12.6035 12.6035 12.7050 12.7050 13.1759 13.1759 13.4556 13.4556 13.5807 13.5807 13.8090 13.8090 13.9038 13.9038 14.4275 14.4275 15.0313 15.0313 15.4325 15.4325 18.1858 18.1858 18.3303 18.3303 19.3684 19.3684 k =-0.2302 0.1384 0.2686 ( 1706 PWs) bands (ev): 2.7965 2.7965 8.0216 8.0216 8.1902 8.1902 8.4385 8.4385 8.9640 8.9640 10.4942 10.4942 10.8261 10.8261 10.8523 10.8523 11.0967 11.0967 11.1485 11.1485 11.1827 11.1827 11.2339 11.2339 12.2503 12.2503 12.2890 12.2890 12.5246 12.5246 12.5951 12.5951 12.7107 12.7107 13.1760 13.1760 13.4555 13.4555 13.5880 13.5880 13.8113 13.8113 13.9264 13.9264 14.4716 14.4716 15.1012 15.1012 15.4208 15.4208 18.2481 18.2481 18.3179 18.3179 19.3322 19.3322 k =-0.2222 0.1337 0.2593 ( 1706 PWs) bands (ev): 2.7333 2.7333 8.0733 8.0733 8.2333 8.2333 8.4167 8.4167 9.0341 9.0341 10.5099 10.5099 10.8203 10.8203 10.8466 10.8466 11.0753 11.0753 11.1392 11.1392 11.1743 11.1743 11.2274 11.2274 12.2608 12.2608 12.2887 12.2887 12.5103 12.5103 12.5888 12.5888 12.7175 12.7175 13.1759 13.1759 13.4546 13.4546 13.5932 13.5932 13.8133 13.8133 13.9523 13.9523 14.5170 14.5170 15.1724 15.1724 15.4095 15.4095 18.1688 18.1688 18.4392 18.4392 19.2962 19.2962 k =-0.2143 0.1289 0.2501 ( 1704 PWs) bands (ev): 2.6715 2.6715 8.1256 8.1256 8.2774 8.2774 8.3958 8.3958 9.1040 9.1040 10.5258 10.5258 10.8099 10.8099 10.8437 10.8437 11.0540 11.0540 11.1236 11.1236 11.1718 11.1718 11.2208 11.2208 12.2656 12.2656 12.2920 12.2920 12.4976 12.4976 12.5837 12.5837 12.7250 12.7250 13.1754 13.1754 13.4529 13.4529 13.5964 13.5964 13.8149 13.8149 13.9811 13.9811 14.5635 14.5635 15.2448 15.2448 15.3987 15.3987 18.0906 18.0906 18.5501 18.5501 19.2605 19.2605 k =-0.2063 0.1241 0.2408 ( 1700 PWs) bands (ev): 2.6114 2.6114 8.1784 8.1784 8.3227 8.3227 8.3758 8.3758 9.1735 9.1735 10.5418 10.5418 10.7968 10.7968 10.8416 10.8416 11.0329 11.0329 11.1059 11.1059 11.1700 11.1700 11.2151 11.2151 12.2651 12.2651 12.2977 12.2977 12.4878 12.4878 12.5795 12.5795 12.7329 12.7329 13.1747 13.1747 13.4505 13.4505 13.5976 13.5976 13.8163 13.8163 14.0127 14.0127 14.6110 14.6110 15.3179 15.3179 15.3889 15.3889 18.0141 18.0141 18.6488 18.6488 19.2248 19.2248 k =-0.1984 0.1194 0.2315 ( 1702 PWs) bands (ev): 2.5528 2.5528 8.2314 8.2314 8.3565 8.3565 8.3691 8.3691 9.2423 9.2423 10.5578 10.5578 10.7820 10.7820 10.8394 10.8394 11.0121 11.0121 11.0876 11.0876 11.1657 11.1657 11.2115 11.2115 12.2620 12.2620 12.3026 12.3026 12.4822 12.4822 12.5757 12.5757 12.7409 12.7409 13.1736 13.1736 13.4475 13.4475 13.5971 13.5971 13.8173 13.8173 14.0465 14.0465 14.6594 14.6594 15.3752 15.3752 15.3967 15.3967 17.9393 17.9393 18.7339 18.7339 19.1891 19.1891 k =-0.1905 0.1146 0.2223 ( 1706 PWs) bands (ev): 2.4960 2.4960 8.2845 8.2845 8.3383 8.3383 8.4164 8.4164 9.3100 9.3100 10.5740 10.5740 10.7656 10.7656 10.8368 10.8368 10.9916 10.9916 11.0694 11.0694 11.1576 11.1576 11.2110 11.2110 12.2574 12.2574 12.3051 12.3051 12.4813 12.4813 12.5725 12.5725 12.7491 12.7491 13.1720 13.1720 13.4439 13.4439 13.5949 13.5949 13.8180 13.8180 14.0823 14.0823 14.7084 14.7084 15.3695 15.3695 15.4695 15.4695 17.8664 17.8664 18.8044 18.8044 19.1535 19.1535 k =-0.1825 0.1098 0.2130 ( 1708 PWs) bands (ev): 2.4410 2.4410 8.3188 8.3188 8.3399 8.3399 8.4648 8.4648 9.3765 9.3765 10.5901 10.5901 10.7481 10.7481 10.8337 10.8337 10.9716 10.9716 11.0517 11.0517 11.1460 11.1460 11.2132 11.2132 12.2517 12.2517 12.3051 12.3051 12.4849 12.4849 12.5699 12.5699 12.7574 12.7574 13.1700 13.1700 13.4399 13.4399 13.5911 13.5911 13.8185 13.8185 14.1199 14.1199 14.7581 14.7581 15.3625 15.3625 15.5455 15.5455 17.7956 17.7956 18.8597 18.8597 19.1178 19.1178 k =-0.1746 0.1050 0.2038 ( 1702 PWs) bands (ev): 2.3879 2.3879 8.3030 8.3030 8.3927 8.3927 8.5142 8.5142 9.4413 9.4413 10.6062 10.6062 10.7293 10.7293 10.8301 10.8301 10.9521 10.9521 11.0345 11.0345 11.1321 11.1321 11.2173 11.2173 12.2451 12.2451 12.3037 12.3037 12.4923 12.4923 12.5684 12.5684 12.7659 12.7659 13.1675 13.1675 13.4356 13.4356 13.5859 13.5859 13.8188 13.8188 14.1590 14.1590 14.8083 14.8083 15.3567 15.3567 15.6225 15.6225 17.7270 17.7270 18.8998 18.8998 19.0819 19.0819 k =-0.1667 0.1003 0.1945 ( 1698 PWs) bands (ev): 2.3367 2.3367 8.2871 8.2871 8.4462 8.4462 8.5644 8.5644 9.5040 9.5040 10.6221 10.6221 10.7090 10.7090 10.8261 10.8261 10.9334 10.9334 11.0178 11.0178 11.1166 11.1166 11.2224 11.2224 12.2374 12.2374 12.3015 12.3015 12.5021 12.5021 12.5680 12.5680 12.7740 12.7740 13.1645 13.1645 13.4309 13.4309 13.5795 13.5795 13.8187 13.8187 14.1991 14.1991 14.8588 14.8588 15.3524 15.3524 15.7001 15.7001 17.6607 17.6607 18.9250 18.9250 19.0458 19.0458 k =-0.1587 0.0955 0.1852 ( 1698 PWs) bands (ev): 2.2876 2.2876 8.2719 8.2719 8.4997 8.4997 8.6156 8.6156 9.5642 9.5642 10.6376 10.6376 10.6869 10.6869 10.8216 10.8216 10.9154 10.9154 11.0018 11.0018 11.1003 11.1003 11.2281 11.2281 12.2287 12.2287 12.2995 12.2995 12.5130 12.5130 12.5694 12.5694 12.7820 12.7820 13.1610 13.1610 13.4259 13.4259 13.5719 13.5719 13.8184 13.8184 14.2398 14.2398 14.9094 14.9094 15.3498 15.3498 15.7780 15.7780 17.5967 17.5967 18.9361 18.9361 19.0095 19.0095 k =-0.1508 0.0907 0.1760 ( 1698 PWs) bands (ev): 2.2405 2.2405 8.2575 8.2575 8.5530 8.5530 8.6676 8.6676 9.6216 9.6216 10.6509 10.6509 10.6649 10.6649 10.8168 10.8168 10.8986 10.8986 10.9864 10.9864 11.0835 11.0835 11.2342 11.2342 12.2194 12.2194 12.2978 12.2978 12.5234 12.5234 12.5734 12.5734 12.7899 12.7899 13.1569 13.1569 13.4206 13.4206 13.5634 13.5634 13.8179 13.8179 14.2808 14.2808 14.9601 14.9601 15.3491 15.3491 15.8562 15.8562 17.5352 17.5352 18.9344 18.9344 18.9729 18.9729 k =-0.1429 0.0859 0.1667 ( 1690 PWs) bands (ev): 2.1956 2.1956 8.2438 8.2438 8.6059 8.6059 8.7204 8.7204 9.6756 9.6756 10.6346 10.6346 10.6699 10.6699 10.8120 10.8120 10.8832 10.8832 10.9717 10.9717 11.0669 11.0669 11.2406 11.2406 12.2097 12.2097 12.2969 12.2969 12.5320 12.5320 12.5812 12.5812 12.7977 12.7977 13.1523 13.1523 13.4152 13.4152 13.5542 13.5542 13.8173 13.8173 14.3218 14.3218 15.0106 15.0106 15.3507 15.3507 15.9345 15.9345 17.4763 17.4763 18.9212 18.9212 18.9361 18.9361 k =-0.1349 0.0812 0.1574 ( 1682 PWs) bands (ev): 2.1528 2.1528 8.2310 8.2310 8.6584 8.6584 8.7739 8.7739 9.7258 9.7258 10.6064 10.6064 10.6841 10.6841 10.8069 10.8069 10.8697 10.8697 10.9578 10.9578 11.0509 11.0509 11.2472 11.2472 12.1999 12.1999 12.2967 12.2967 12.5381 12.5381 12.5925 12.5925 12.8051 12.8051 13.1470 13.1470 13.4095 13.4095 13.5445 13.5445 13.8165 13.8165 14.3624 14.3624 15.0607 15.0607 15.3546 15.3546 16.0126 16.0126 17.4201 17.4201 18.8970 18.8970 18.9002 18.9002 k =-0.1270 0.0764 0.1482 ( 1680 PWs) bands (ev): 2.1122 2.1122 8.2189 8.2189 8.7102 8.7102 8.8282 8.8282 9.7716 9.7716 10.5752 10.5752 10.6980 10.6980 10.8017 10.8017 10.8580 10.8580 10.9446 10.9446 11.0355 11.0355 11.2537 11.2537 12.1900 12.1900 12.2968 12.2968 12.5423 12.5423 12.6068 12.6068 12.8123 12.8123 13.1411 13.1411 13.4037 13.4037 13.5345 13.5345 13.8155 13.8155 14.4019 14.4019 15.1102 15.1102 15.3612 15.3612 16.0903 16.0903 17.3667 17.3667 18.8606 18.8606 18.8680 18.8680 k =-0.1190 0.0716 0.1389 ( 1680 PWs) bands (ev): 2.0739 2.0739 8.2076 8.2076 8.7613 8.7613 8.8830 8.8830 9.8125 9.8125 10.5415 10.5415 10.7114 10.7114 10.7967 10.7967 10.8488 10.8488 10.9322 10.9322 11.0211 11.0211 11.2600 11.2600 12.1803 12.1803 12.2974 12.2974 12.5454 12.5454 12.6228 12.6228 12.8192 12.8192 13.1346 13.1346 13.3976 13.3976 13.5243 13.5243 13.8143 13.8143 14.4401 14.4401 15.1588 15.1588 15.3708 15.3708 16.1674 16.1674 17.3160 17.3160 18.8226 18.8226 18.8305 18.8305 k =-0.1111 0.0668 0.1297 ( 1684 PWs) bands (ev): 2.0378 2.0378 8.1970 8.1970 8.8115 8.8115 8.9384 8.9384 9.8482 9.8482 10.5051 10.5051 10.7239 10.7239 10.7920 10.7920 10.8422 10.8422 10.9207 10.9207 11.0078 11.0078 11.2661 11.2661 12.1709 12.1709 12.2982 12.2982 12.5478 12.5478 12.6397 12.6397 12.8257 12.8257 13.1273 13.1273 13.3913 13.3913 13.5142 13.5142 13.8131 13.8131 14.4765 14.4765 15.2060 15.2060 15.3835 15.3835 16.2435 16.2435 17.2684 17.2684 18.7842 18.7842 18.7881 18.7881 k =-0.1032 0.0621 0.1204 ( 1684 PWs) bands (ev): 2.0041 2.0041 8.1873 8.1873 8.8606 8.8606 8.9942 8.9942 9.8782 9.8782 10.4664 10.4664 10.7352 10.7352 10.7879 10.7879 10.8387 10.8387 10.9103 10.9103 10.9958 10.9958 11.2718 11.2718 12.1619 12.1619 12.2991 12.2991 12.5501 12.5501 12.6573 12.6573 12.8321 12.8321 13.1194 13.1194 13.3849 13.3849 13.5045 13.5045 13.8118 13.8118 14.5108 14.5108 15.2515 15.2515 15.3997 15.3997 16.3185 16.3185 17.2237 17.2237 18.7421 18.7421 18.7458 18.7458 k =-0.0952 0.0573 0.1111 ( 1674 PWs) bands (ev): 1.9728 1.9728 8.1783 8.1783 8.9085 8.9085 9.0505 9.0505 9.9025 9.9025 10.4256 10.4256 10.7448 10.7448 10.7850 10.7850 10.8384 10.8384 10.9006 10.9006 10.9851 10.9851 11.2772 11.2772 12.1535 12.1535 12.3004 12.3004 12.5525 12.5525 12.6752 12.6752 12.8383 12.8383 13.1110 13.1110 13.3785 13.3785 13.4954 13.4954 13.8106 13.8106 14.5426 14.5426 15.2947 15.2947 15.4195 15.4195 16.3918 16.3918 17.1821 17.1821 18.6941 18.6941 18.7072 18.7072 k =-0.0873 0.0525 0.1019 ( 1676 PWs) bands (ev): 1.9439 1.9439 8.1700 8.1700 8.9548 8.9548 9.1071 9.1071 9.9209 9.9209 10.3824 10.3824 10.7516 10.7516 10.7840 10.7840 10.8409 10.8409 10.8917 10.8917 10.9756 10.9756 11.2819 11.2819 12.1456 12.1456 12.3017 12.3017 12.5548 12.5548 12.6929 12.6929 12.8443 12.8443 13.1019 13.1019 13.3720 13.3720 13.4868 13.4868 13.8093 13.8093 14.5715 14.5715 15.3351 15.3351 15.4430 15.4430 16.4631 16.4631 17.1437 17.1437 18.6450 18.6450 18.6686 18.6686 k =-0.0794 0.0477 0.0926 ( 1672 PWs) bands (ev): 1.9174 1.9174 8.1626 8.1626 8.9995 8.9995 9.1639 9.1639 9.9337 9.9337 10.3375 10.3375 10.7548 10.7548 10.7860 10.7860 10.8462 10.8462 10.8839 10.8839 10.9673 10.9673 11.2861 11.2861 12.1383 12.1383 12.3032 12.3032 12.5571 12.5571 12.7107 12.7107 12.8502 12.8502 13.0922 13.0922 13.3655 13.3655 13.4790 13.4790 13.8080 13.8080 14.5976 14.5976 15.3722 15.3722 15.4699 15.4699 16.5319 16.5319 17.1084 17.1084 18.5961 18.5961 18.6305 18.6305 k =-0.0714 0.0430 0.0834 ( 1667 PWs) bands (ev): 1.8934 1.8934 8.1558 8.1558 9.0421 9.0421 9.2208 9.2208 9.9413 9.9413 10.2910 10.2910 10.7548 10.7548 10.7904 10.7904 10.8542 10.8542 10.8773 10.8773 10.9603 10.9603 11.2895 11.2895 12.1317 12.1317 12.3046 12.3046 12.5592 12.5592 12.7278 12.7278 12.8559 12.8559 13.0820 13.0820 13.3593 13.3593 13.4719 13.4719 13.8068 13.8068 14.6207 14.6207 15.4061 15.4061 15.4994 15.4994 16.5977 16.5977 17.0765 17.0765 18.5484 18.5484 18.5930 18.5930 k =-0.0635 0.0382 0.0741 ( 1671 PWs) bands (ev): 1.8718 1.8718 8.1496 8.1496 9.0823 9.0823 9.2776 9.2776 9.9442 9.9442 10.2432 10.2432 10.7529 10.7529 10.7956 10.7956 10.8634 10.8634 10.8721 10.8721 10.9543 10.9543 11.2922 11.2922 12.1257 12.1257 12.3059 12.3059 12.5613 12.5613 12.7441 12.7441 12.8617 12.8617 13.0712 13.0712 13.3532 13.3532 13.4657 13.4657 13.8055 13.8055 14.6407 14.6407 15.4370 15.4370 15.5301 15.5301 16.6598 16.6598 17.0479 17.0479 18.5029 18.5029 18.5567 18.5567 k =-0.0556 0.0334 0.0648 ( 1671 PWs) bands (ev): 1.8527 1.8527 8.1443 8.1443 9.1198 9.1198 9.3340 9.3340 9.9431 9.9431 10.1948 10.1948 10.7506 10.7506 10.8004 10.8004 10.8671 10.8671 10.8746 10.8746 10.9494 10.9494 11.2942 11.2942 12.1203 12.1203 12.3070 12.3070 12.5631 12.5631 12.7594 12.7594 12.8675 12.8675 13.0601 13.0601 13.3476 13.3476 13.4604 13.4604 13.8043 13.8043 14.6579 14.6579 15.4652 15.4652 15.5606 15.5606 16.7174 16.7174 17.0227 17.0227 18.4603 18.4603 18.5221 18.5221 k =-0.0476 0.0286 0.0556 ( 1679 PWs) bands (ev): 1.8362 1.8362 8.1396 8.1396 9.1541 9.1541 9.3897 9.3897 9.9388 9.9388 10.1461 10.1461 10.7480 10.7480 10.8041 10.8041 10.8645 10.8645 10.8849 10.8849 10.9457 10.9457 11.2954 11.2954 12.1156 12.1156 12.3080 12.3080 12.5647 12.5647 12.7735 12.7735 12.8736 12.8736 13.0486 13.0486 13.3424 13.3424 13.4558 13.4558 13.8032 13.8032 14.6722 14.6722 15.4908 15.4908 15.5896 15.5896 16.7697 16.7697 17.0011 17.0011 18.4216 18.4216 18.4897 18.4897 k =-0.0397 0.0239 0.0463 ( 1673 PWs) bands (ev): 1.8221 1.8221 8.1357 8.1357 9.1848 9.1848 9.4446 9.4446 9.9320 9.9320 10.0982 10.0982 10.7457 10.7457 10.8068 10.8068 10.8629 10.8629 10.8949 10.8949 10.9436 10.9436 11.2962 11.2962 12.1117 12.1117 12.3090 12.3090 12.5661 12.5661 12.7859 12.7859 12.8801 12.8801 13.0372 13.0372 13.3380 13.3380 13.4521 13.4521 13.8023 13.8023 14.6839 14.6839 15.5137 15.5137 15.6161 15.6161 16.8157 16.8157 16.9834 16.9834 18.3875 18.3875 18.4603 18.4603 k =-0.0317 0.0191 0.0370 ( 1681 PWs) bands (ev): 1.8106 1.8106 8.1325 8.1325 9.2110 9.2110 9.4972 9.4972 9.9231 9.9231 10.0523 10.0523 10.7437 10.7437 10.8084 10.8084 10.8623 10.8623 10.9033 10.9033 10.9426 10.9426 11.2965 11.2965 12.1083 12.1083 12.3094 12.3094 12.5671 12.5671 12.7962 12.7962 12.8868 12.8868 13.0260 13.0260 13.3341 13.3341 13.4490 13.4490 13.8016 13.8016 14.6932 14.6932 15.5333 15.5333 15.6389 15.6389 16.8540 16.8540 16.9698 16.9698 18.3586 18.3586 18.4346 18.4346 k =-0.0238 0.0143 0.0278 ( 1681 PWs) bands (ev): 1.8016 1.8016 8.1300 8.1300 9.2324 9.2324 9.5465 9.5465 9.9120 9.9120 10.0111 10.0111 10.7422 10.7422 10.8091 10.8091 10.8623 10.8623 10.9094 10.9094 10.9431 10.9431 11.2965 11.2965 12.1057 12.1057 12.3100 12.3100 12.5680 12.5680 12.8045 12.8045 12.8937 12.8937 13.0157 13.0157 13.3311 13.3311 13.4468 13.4468 13.8010 13.8010 14.7002 14.7002 15.5492 15.5492 15.6575 15.6575 16.8829 16.8829 16.9614 16.9614 18.3354 18.3354 18.4135 18.4135 k =-0.0159 0.0095 0.0185 ( 1677 PWs) bands (ev): 1.7952 1.7952 8.1283 8.1283 9.2482 9.2482 9.5896 9.5896 9.8980 9.8980 9.9794 9.9794 10.7410 10.7410 10.8095 10.8095 10.8627 10.8627 10.9131 10.9131 10.9448 10.9448 11.2964 11.2964 12.1038 12.1038 12.3104 12.3104 12.5687 12.5687 12.8102 12.8102 12.8999 12.8999 13.0071 13.0071 13.3290 13.3290 13.4452 13.4452 13.8006 13.8006 14.7051 14.7051 15.5610 15.5610 15.6713 15.6713 16.9008 16.9008 16.9589 16.9589 18.3186 18.3186 18.3978 18.3978 k =-0.0079 0.0048 0.0093 ( 1677 PWs) bands (ev): 1.7913 1.7913 8.1273 8.1273 9.2579 9.2579 9.6213 9.6213 9.8830 9.8830 9.9606 9.9606 10.7403 10.7403 10.8096 10.8096 10.8630 10.8630 10.9149 10.9149 10.9462 10.9462 11.2962 11.2962 12.1027 12.1027 12.3106 12.3106 12.5691 12.5691 12.8137 12.8137 12.9046 12.9046 13.0010 13.0010 13.3277 13.3277 13.4442 13.4442 13.8004 13.8004 14.7080 14.7080 15.5682 15.5682 15.6797 15.6797 16.9085 16.9085 16.9607 16.9607 18.3083 18.3083 18.3881 18.3881 k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): 1.7901 1.7901 8.1269 8.1269 9.2612 9.2612 9.6335 9.6335 9.8759 9.8759 9.9548 9.9548 10.7400 10.7400 10.8096 10.8096 10.8631 10.8631 10.9154 10.9154 10.9468 10.9468 11.2962 11.2962 12.1022 12.1022 12.3107 12.3107 12.5692 12.5692 12.8147 12.8147 12.9062 12.9062 12.9988 12.9988 13.3272 13.3272 13.4439 13.4439 13.8002 13.8002 14.7090 14.7090 15.5706 15.5706 15.6825 15.6825 16.9103 16.9103 16.9622 16.9622 18.3049 18.3049 18.3848 18.3848 k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): 1.7901 1.7901 8.1269 8.1269 9.2612 9.2612 9.6335 9.6335 9.8759 9.8759 9.9548 9.9548 10.7400 10.7400 10.8096 10.8096 10.8631 10.8631 10.9154 10.9154 10.9468 10.9468 11.2962 11.2962 12.1022 12.1022 12.3107 12.3107 12.5692 12.5692 12.8147 12.8147 12.9062 12.9062 12.9988 12.9988 13.3272 13.3272 13.4439 13.4439 13.8002 13.8002 14.7090 14.7090 15.5706 15.5706 15.6825 15.6825 16.9103 16.9103 16.9622 16.9622 18.3049 18.3049 18.3848 18.3848 k = 0.0067 0.0112 0.0000 ( 1673 PWs) bands (ev): 1.7914 1.7914 8.1191 8.1191 9.2694 9.2694 9.6343 9.6343 9.8740 9.8740 9.9528 9.9528 10.7376 10.7376 10.8111 10.8111 10.8643 10.8643 10.9160 10.9160 10.9472 10.9472 11.2991 11.2991 12.1017 12.1017 12.3100 12.3100 12.5689 12.5689 12.8155 12.8155 12.9070 12.9070 12.9996 12.9996 13.3270 13.3270 13.4437 13.4437 13.7995 13.7995 14.7088 14.7088 15.5671 15.5671 15.6787 15.6787 16.9100 16.9100 16.9623 16.9623 18.3056 18.3056 18.3867 18.3867 k = 0.0135 0.0224 0.0000 ( 1669 PWs) bands (ev): 1.7954 1.7954 8.0961 8.0961 9.2932 9.2932 9.6366 9.6366 9.8686 9.8686 9.9469 9.9469 10.7302 10.7302 10.8155 10.8155 10.8676 10.8676 10.9179 10.9179 10.9481 10.9481 11.3078 11.3078 12.0996 12.0996 12.3078 12.3078 12.5680 12.5680 12.8173 12.8173 12.9085 12.9085 13.0021 13.0021 13.3262 13.3262 13.4429 13.4429 13.7968 13.7968 14.7083 14.7083 15.5565 15.5565 15.6670 15.6670 16.9093 16.9093 16.9628 16.9628 18.3078 18.3078 18.3925 18.3925 k = 0.0202 0.0336 0.0000 ( 1669 PWs) bands (ev): 1.8021 1.8021 8.0597 8.0597 9.3309 9.3309 9.6404 9.6404 9.8596 9.8596 9.9373 9.9373 10.7185 10.7185 10.8224 10.8224 10.8727 10.8727 10.9211 10.9211 10.9495 10.9495 11.3215 11.3215 12.0959 12.0959 12.3042 12.3042 12.5663 12.5663 12.8202 12.8202 12.9111 12.9111 13.0061 13.0061 13.3248 13.3248 13.4414 13.4414 13.7923 13.7923 14.7074 14.7074 15.5391 15.5391 15.6478 15.6478 16.9083 16.9083 16.9636 16.9636 18.3115 18.3115 18.4021 18.4021 k = 0.0269 0.0448 0.0000 ( 1669 PWs) bands (ev): 1.8115 1.8115 8.0122 8.0122 9.3801 9.3801 9.6458 9.6458 9.8473 9.8473 9.9241 9.9241 10.7034 10.7034 10.8314 10.8314 10.8792 10.8792 10.9261 10.9261 10.9516 10.9516 11.3398 11.3398 12.0908 12.0908 12.2991 12.2991 12.5641 12.5641 12.8242 12.8242 12.9148 12.9148 13.0116 13.0116 13.3229 13.3229 13.4394 13.4394 13.7860 13.7860 14.7061 14.7061 15.5149 15.5149 15.6213 15.6213 16.9072 16.9072 16.9650 16.9650 18.3166 18.3166 18.4155 18.4155 k = 0.0337 0.0560 0.0000 ( 1661 PWs) bands (ev): 1.8236 1.8236 7.9562 7.9562 9.4386 9.4386 9.6530 9.6530 9.8319 9.8319 9.9076 9.9076 10.6854 10.6854 10.8425 10.8425 10.8865 10.8865 10.9331 10.9331 10.9544 10.9544 11.3620 11.3620 12.0843 12.0843 12.2928 12.2928 12.5615 12.5615 12.8294 12.8294 12.9194 12.9194 13.0186 13.0186 13.3204 13.3204 13.4370 13.4370 13.7780 13.7780 14.7046 14.7046 15.4843 15.4843 15.5878 15.5878 16.9063 16.9063 16.9671 16.9671 18.3232 18.3232 18.4328 18.4328 k = 0.0404 0.0672 0.0000 ( 1685 PWs) bands (ev): 1.8383 1.8383 7.8929 7.8929 9.5040 9.5040 9.6613 9.6613 9.8133 9.8133 9.8878 9.8878 10.6650 10.6650 10.8547 10.8547 10.8934 10.8934 10.9422 10.9422 10.9574 10.9574 11.3874 11.3874 12.0760 12.0760 12.2852 12.2852 12.5583 12.5583 12.8355 12.8355 12.9250 12.9250 13.0263 13.0263 13.3171 13.3171 13.4336 13.4336 13.7680 13.7680 14.7025 14.7025 15.4473 15.4473 15.5476 15.5476 16.9057 16.9057 16.9698 16.9698 18.3311 18.3311 18.4540 18.4540 k = 0.0471 0.0784 0.0000 ( 1677 PWs) bands (ev): 1.8556 1.8556 7.8252 7.8252 9.5747 9.5747 9.6716 9.6716 9.7923 9.7923 9.8656 9.8656 10.6433 10.6433 10.8683 10.8683 10.9001 10.9001 10.9544 10.9544 10.9619 10.9619 11.4155 11.4155 12.0667 12.0667 12.2766 12.2766 12.5549 12.5549 12.8428 12.8428 12.9315 12.9315 13.0354 13.0354 13.3137 13.3137 13.4301 13.4301 13.7567 13.7567 14.7002 14.7002 15.4047 15.4047 15.5016 15.5016 16.9059 16.9059 16.9736 16.9736 18.3404 18.3404 18.4791 18.4791 k = 0.0539 0.0895 0.0000 ( 1677 PWs) bands (ev): 1.8756 1.8756 7.7535 7.7535 9.6472 9.6472 9.6856 9.6856 9.7688 9.7688 9.8409 9.8409 10.6203 10.6203 10.8825 10.8825 10.9063 10.9063 10.9670 10.9670 10.9693 10.9693 11.4457 11.4457 12.0559 12.0559 12.2669 12.2669 12.5512 12.5512 12.8511 12.8511 12.9389 12.9389 13.0452 13.0452 13.3098 13.3098 13.4262 13.4262 13.7435 13.7435 14.6975 14.6975 15.3568 15.3568 15.4502 15.4502 16.9071 16.9071 16.9785 16.9785 18.3510 18.3510 18.5080 18.5080 k = 0.0606 0.1007 0.0000 ( 1677 PWs) bands (ev): 1.8983 1.8983 7.6792 7.6792 9.6898 9.6898 9.7333 9.7333 9.7431 9.7431 9.8144 9.8144 10.5964 10.5964 10.8970 10.8970 10.9122 10.9122 10.9740 10.9740 10.9853 10.9853 11.4775 11.4775 12.0437 12.0437 12.2563 12.2563 12.5474 12.5474 12.8603 12.8603 12.9472 12.9472 13.0555 13.0555 13.3056 13.3056 13.4218 13.4218 13.7287 13.7287 14.6945 14.6945 15.3041 15.3041 15.3939 15.3939 16.9095 16.9095 16.9846 16.9846 18.3628 18.3628 18.5409 18.5409 k = 0.0673 0.1119 0.0000 ( 1677 PWs) bands (ev): 1.9236 1.9236 7.6029 7.6029 9.7055 9.7055 9.7153 9.7153 9.7820 9.7820 9.8157 9.8157 10.5721 10.5721 10.9111 10.9111 10.9179 10.9179 10.9823 10.9823 11.0031 11.0031 11.5106 11.5106 12.0302 12.0302 12.2451 12.2451 12.5435 12.5435 12.8703 12.8703 12.9562 12.9562 13.0664 13.0664 13.3009 13.3009 13.4170 13.4170 13.7122 13.7122 14.6910 14.6910 15.2473 15.2473 15.3336 15.3336 16.9134 16.9134 16.9920 16.9920 18.3759 18.3759 18.5776 18.5776 k = 0.0741 0.1231 0.0000 ( 1677 PWs) bands (ev): 1.9516 1.9516 7.5253 7.5253 9.6858 9.6858 9.7189 9.7189 9.7555 9.7555 9.8956 9.8956 10.5475 10.5475 10.9229 10.9229 10.9247 10.9247 10.9924 10.9924 11.0218 11.0218 11.5446 11.5446 12.0155 12.0155 12.2332 12.2332 12.5397 12.5397 12.8810 12.8810 12.9659 12.9659 13.0775 13.0775 13.2961 13.2961 13.4120 13.4120 13.6942 13.6942 14.6872 14.6872 15.1870 15.1870 15.2698 15.2698 16.9187 16.9187 17.0007 17.0007 18.3901 18.3901 18.5806 18.5806 k = 0.0808 0.1343 0.0000 ( 1677 PWs) bands (ev): 1.9821 1.9821 7.4469 7.4469 9.6547 9.6547 9.7131 9.7131 9.7459 9.7459 9.9789 9.9789 10.5229 10.5229 10.9288 10.9288 10.9361 10.9361 11.0047 11.0047 11.0413 11.0413 11.5791 11.5791 11.9994 11.9994 12.2208 12.2208 12.5361 12.5361 12.8924 12.8924 12.9761 12.9761 13.0888 13.0888 13.2910 13.2910 13.4068 13.4068 13.6747 13.6747 14.6829 14.6829 15.1238 15.1238 15.2034 15.2034 16.9258 16.9258 17.0110 17.0110 18.4054 18.4054 18.4812 18.4812 k = 0.0875 0.1455 0.0000 ( 1677 PWs) bands (ev): 2.0153 2.0153 7.3679 7.3679 9.6220 9.6220 9.6823 9.6823 9.7608 9.7608 10.0632 10.0632 10.4985 10.4985 10.9343 10.9343 10.9461 10.9461 11.0191 11.0191 11.0612 11.0612 11.6139 11.6139 11.9821 11.9821 12.2081 12.2081 12.5327 12.5327 12.9041 12.9041 12.9866 12.9866 13.1002 13.1002 13.2860 13.2860 13.4015 13.4015 13.6537 13.6537 14.6782 14.6782 15.0583 15.0583 15.1351 15.1351 16.9347 16.9347 17.0227 17.0227 18.3739 18.3739 18.4217 18.4217 k = 0.0943 0.1567 0.0000 ( 1689 PWs) bands (ev): 2.0510 2.0510 7.2888 7.2888 9.5880 9.5880 9.6474 9.6474 9.7795 9.7795 10.1480 10.1480 10.4741 10.4741 10.9397 10.9397 10.9546 10.9546 11.0350 11.0350 11.0810 11.0810 11.6487 11.6487 11.9636 11.9636 12.1951 12.1951 12.5297 12.5297 12.9160 12.9160 12.9972 12.9972 13.1114 13.1114 13.2811 13.2811 13.3961 13.3961 13.6311 13.6311 14.6729 14.6729 14.9913 14.9913 15.0654 15.0654 16.9453 16.9453 17.0359 17.0359 18.2597 18.2597 18.4389 18.4389 k = 0.1010 0.1679 0.0000 ( 1701 PWs) bands (ev): 2.0893 2.0893 7.2095 7.2095 9.5527 9.5527 9.6109 9.6109 9.8000 9.8000 10.2331 10.2331 10.4500 10.4500 10.9451 10.9451 10.9619 10.9619 11.0523 11.0523 11.1012 11.1012 11.6831 11.6831 11.9441 11.9441 12.1817 12.1817 12.5270 12.5270 12.9273 12.9273 13.0075 13.0075 13.1224 13.1224 13.2766 13.2766 13.3911 13.3911 13.6071 13.6071 14.6670 14.6670 14.9235 14.9235 14.9954 14.9954 16.9578 16.9578 17.0508 17.0508 18.1395 18.1395 18.4570 18.4570 k = 0.1077 0.1791 0.0000 ( 1689 PWs) bands (ev): 2.1303 2.1303 7.1307 7.1307 9.5164 9.5164 9.5733 9.5733 9.8219 9.8219 10.3183 10.3183 10.4272 10.4272 10.9503 10.9503 10.9682 10.9682 11.0708 11.0708 11.1215 11.1215 11.7170 11.7170 11.9233 11.9233 12.1689 12.1689 12.5254 12.5254 12.9387 12.9387 13.0178 13.0178 13.1333 13.1333 13.2728 13.2728 13.3864 13.3864 13.5821 13.5821 14.6603 14.6603 14.8555 14.8555 14.9258 14.9258 16.9722 16.9722 17.0672 17.0672 18.0144 18.0144 18.4758 18.4758 k = 0.1145 0.1903 0.0000 ( 1681 PWs) bands (ev): 2.1738 2.1738 7.0521 7.0521 9.4792 9.4792 9.5345 9.5345 9.8450 9.8450 10.4032 10.4032 10.4045 10.4045 10.9551 10.9551 10.9735 10.9735 11.0896 11.0896 11.1416 11.1416 11.7500 11.7500 11.9018 11.9018 12.1568 12.1568 12.5248 12.5248 12.9494 12.9494 13.0277 13.0277 13.1439 13.1439 13.2700 13.2700 13.3823 13.3823 13.5557 13.5557 14.6523 14.6523 14.7877 14.7877 14.8575 14.8575 16.9885 16.9885 17.0853 17.0853 17.8851 17.8851 18.4953 18.4953 k = 0.1212 0.2015 0.0000 ( 1677 PWs) bands (ev): 2.2198 2.2198 6.9741 6.9741 9.4410 9.4410 9.4949 9.4949 9.8693 9.8693 10.3825 10.3825 10.4877 10.4877 10.9595 10.9595 10.9778 10.9778 11.1088 11.1088 11.1615 11.1615 11.7815 11.7815 11.8790 11.8790 12.1446 12.1446 12.5253 12.5253 12.9588 12.9588 13.0365 13.0365 13.1540 13.1540 13.2685 13.2685 13.3791 13.3791 13.5282 13.5282 14.6418 14.6418 14.7208 14.7208 14.7923 14.7923 17.0066 17.0066 17.1050 17.1050 17.7526 17.7526 18.5153 18.5153 k = 0.1279 0.2127 0.0000 ( 1677 PWs) bands (ev): 2.2683 2.2683 6.8966 6.8966 9.4019 9.4019 9.4543 9.4543 9.8947 9.8947 10.3612 10.3612 10.5717 10.5717 10.9634 10.9634 10.9812 10.9812 11.1282 11.1282 11.1813 11.1813 11.8112 11.8112 11.8553 11.8553 12.1329 12.1329 12.5270 12.5270 12.9661 12.9661 13.0437 13.0437 13.1638 13.1638 13.2689 13.2689 13.3771 13.3771 13.4995 13.4995 14.6259 14.6259 14.6554 14.6554 14.7337 14.7337 17.0264 17.0264 17.1264 17.1264 17.6177 17.6177 18.5358 18.5358 k = 0.1347 0.2239 0.0000 ( 1677 PWs) bands (ev): 2.3194 2.3194 6.8199 6.8199 9.3620 9.3620 9.4130 9.4130 9.9211 9.9211 10.3407 10.3407 10.6549 10.6549 10.9665 10.9665 10.9836 10.9836 11.1477 11.1477 11.2009 11.2009 11.8307 11.8307 11.8386 11.8386 12.1220 12.1220 12.5303 12.5303 12.9709 12.9709 13.0490 13.0490 13.1731 13.1731 13.2715 13.2715 13.3765 13.3765 13.4698 13.4698 14.5917 14.5917 14.5978 14.5978 14.6891 14.6891 17.0479 17.0479 17.1495 17.1495 17.4812 17.4812 18.5565 18.5565 k = 0.1414 0.2351 0.0000 ( 1677 PWs) bands (ev): 2.3729 2.3729 6.7440 6.7440 9.3214 9.3214 9.3710 9.3710 9.9486 9.9486 10.3210 10.3210 10.7372 10.7372 10.9689 10.9689 10.9849 10.9849 11.1673 11.1673 11.2204 11.2204 11.8052 11.8052 11.8633 11.8633 12.1120 12.1120 12.5356 12.5356 12.9729 12.9729 13.0521 13.0521 13.1820 13.1820 13.2767 13.2767 13.3776 13.3776 13.4392 13.4392 14.5306 14.5306 14.5531 14.5531 14.6628 14.6628 17.0703 17.0703 17.1743 17.1743 17.3443 17.3443 18.5773 18.5773 k = 0.1481 0.2463 0.0000 ( 1673 PWs) bands (ev): 2.4289 2.4289 6.6690 6.6690 9.2801 9.2801 9.3283 9.3283 9.9770 9.9770 10.3022 10.3022 10.8185 10.8185 10.9703 10.9703 10.9850 10.9850 11.1869 11.1869 11.2398 11.2398 11.7790 11.7790 11.8848 11.8848 12.1032 12.1032 12.5434 12.5434 12.9718 12.9718 13.0525 13.0525 13.1905 13.1905 13.2845 13.2845 13.3808 13.3808 13.4079 13.4079 14.4722 14.4722 14.5001 14.5001 14.6473 14.6473 17.0893 17.0893 17.2009 17.2009 17.2120 17.2120 18.5980 18.5980 k = 0.1549 0.2574 0.0000 ( 1681 PWs) bands (ev): 2.4873 2.4873 6.5948 6.5948 9.2381 9.2381 9.2850 9.2850 10.0062 10.0062 10.2841 10.2841 10.8982 10.8982 10.9708 10.9708 10.9837 10.9837 11.2065 11.2065 11.2593 11.2593 11.7521 11.7521 11.9024 11.9024 12.0957 12.0957 12.5534 12.5534 12.9671 12.9671 13.0500 13.0500 13.1984 13.1984 13.2942 13.2942 13.3765 13.3765 13.3860 13.3860 14.4167 14.4167 14.4457 14.4457 14.6358 14.6358 17.0437 17.0437 17.1457 17.1457 17.2292 17.2292 18.6184 18.6184 k = 0.1616 0.2686 0.0000 ( 1681 PWs) bands (ev): 2.5481 2.5481 6.5217 6.5217 9.1955 9.1955 9.2411 9.2411 10.0362 10.0362 10.2672 10.2672 10.9643 10.9643 10.9809 10.9809 10.9827 10.9827 11.2263 11.2263 11.2789 11.2789 11.7244 11.7244 11.9161 11.9161 12.0897 12.0897 12.5662 12.5662 12.9596 12.9596 13.0448 13.0448 13.2057 13.2057 13.3026 13.3026 13.3486 13.3486 13.3933 13.3933 14.3646 14.3646 14.3928 14.3928 14.6259 14.6259 16.9137 16.9137 17.1657 17.1657 17.2593 17.2593 18.6382 18.6382 k = 0.1683 0.2798 0.0000 ( 1681 PWs) bands (ev): 2.6113 2.6113 6.4497 6.4497 9.1523 9.1523 9.1966 9.1966 10.0670 10.0670 10.2512 10.2512 10.9655 10.9655 10.9767 10.9767 11.0565 11.0565 11.2462 11.2462 11.2989 11.2989 11.6961 11.6961 11.9257 11.9257 12.0851 12.0851 12.5818 12.5818 12.9491 12.9491 13.0370 13.0370 13.2124 13.2124 13.2929 13.2929 13.3405 13.3405 13.4027 13.4027 14.3161 14.3161 14.3423 14.3423 14.6166 14.6166 16.7759 16.7759 17.1958 17.1958 17.2913 17.2913 18.6571 18.6571 k = 0.1751 0.2910 0.0000 ( 1681 PWs) bands (ev): 2.6769 2.6769 6.3787 6.3787 9.1086 9.1086 9.1517 9.1517 10.0984 10.0984 10.2363 10.2363 10.9616 10.9616 10.9708 10.9708 11.1321 11.1321 11.2662 11.2662 11.3196 11.3196 11.6672 11.6672 11.9315 11.9315 12.0817 12.0817 12.6003 12.6003 12.9359 12.9359 13.0268 13.0268 13.2182 13.2182 13.2632 13.2632 13.3539 13.3539 13.4141 13.4141 14.2712 14.2712 14.2950 14.2950 14.6075 14.6075 16.6372 16.6372 17.2292 17.2292 17.3251 17.3251 18.6747 18.6747 k = 0.1818 0.3022 0.0000 ( 1685 PWs) bands (ev): 2.7448 2.7448 6.3089 6.3089 9.0643 9.0643 9.1063 9.1063 10.1303 10.1303 10.2224 10.2224 10.9559 10.9559 10.9632 10.9632 11.2055 11.2055 11.2863 11.2863 11.3416 11.3416 11.6377 11.6377 11.9339 11.9339 12.0791 12.0791 12.6215 12.6215 12.9205 12.9205 13.0143 13.0143 13.2230 13.2230 13.2286 13.2286 13.3731 13.3731 13.4272 13.4272 14.2301 14.2301 14.2510 14.2510 14.5984 14.5984 16.4987 16.4987 17.2652 17.2652 17.3609 17.3609 18.6905 18.6905 k = 0.1885 0.3134 0.0000 ( 1684 PWs) bands (ev): 2.8150 2.8150 6.2402 6.2402 9.0196 9.0196 9.0604 9.0604 10.1628 10.1628 10.2095 10.2095 10.9484 10.9484 10.9539 10.9539 11.2747 11.2747 11.3067 11.3067 11.3667 11.3667 11.6080 11.6080 11.9336 11.9336 12.0767 12.0767 12.6453 12.6453 12.9031 12.9031 13.0001 13.0001 13.1926 13.1926 13.2269 13.2269 13.3948 13.3948 13.4418 13.4418 14.1928 14.1928 14.2106 14.2106 14.5892 14.5892 16.3609 16.3609 17.3034 17.3034 17.3986 17.3986 18.7037 18.7037 k = 0.1953 0.3246 0.0000 ( 1680 PWs) bands (ev): 2.8875 2.8875 6.1728 6.1728 8.9746 8.9746 9.0143 9.0143 10.1956 10.1956 10.1978 10.1978 10.9391 10.9391 10.9428 10.9428 11.3273 11.3273 11.3342 11.3342 11.4006 11.4006 11.5778 11.5778 11.9314 11.9314 12.0741 12.0741 12.6715 12.6715 12.8842 12.8842 12.9843 12.9843 13.1557 13.1557 13.2297 13.2297 13.4182 13.4182 13.4578 13.4578 14.1592 14.1592 14.1737 14.1737 14.5801 14.5801 16.2241 16.2241 17.3440 17.3440 17.4383 17.4383 18.7137 18.7137 k = 0.2020 0.3358 0.0000 ( 1680 PWs) bands (ev): 2.9623 2.9623 6.1066 6.1066 8.9290 8.9290 8.9677 8.9677 10.1871 10.1871 10.2288 10.2288 10.9281 10.9281 10.9300 10.9300 11.3482 11.3482 11.3751 11.3751 11.4511 11.4511 11.5477 11.5477 11.9278 11.9278 12.0710 12.0710 12.6997 12.6997 12.8640 12.8640 12.9673 12.9673 13.1182 13.1182 13.2315 13.2315 13.4426 13.4426 13.4748 13.4748 14.1292 14.1292 14.1404 14.1404 14.5705 14.5705 16.0883 16.0883 17.3867 17.3867 17.4800 17.4800 18.7195 18.7195 k = 0.2087 0.3470 0.0000 ( 1672 PWs) bands (ev): 3.0393 3.0393 6.0417 6.0417 8.8832 8.8832 8.9209 8.9209 10.1779 10.1779 10.2622 10.2622 10.9151 10.9151 10.9158 10.9158 11.3694 11.3694 11.4037 11.4037 11.5018 11.5018 11.5288 11.5288 11.9233 11.9233 12.0673 12.0673 12.7296 12.7296 12.8428 12.8428 12.9495 12.9495 13.0801 13.0801 13.2323 13.2323 13.4680 13.4680 13.4927 13.4927 14.1027 14.1027 14.1105 14.1105 14.5608 14.5608 15.9540 15.9540 17.4317 17.4317 17.5238 17.5238 18.7199 18.7199 k = 0.2155 0.3582 0.0000 ( 1680 PWs) bands (ev): 3.1185 3.1185 5.9779 5.9779 8.8369 8.8369 8.8737 8.8737 10.1696 10.1696 10.2957 10.2957 10.8991 10.8991 10.9012 10.9012 11.3907 11.3907 11.4279 11.4279 11.4811 11.4811 11.5837 11.5837 11.9182 11.9182 12.0627 12.0627 12.7607 12.7607 12.8208 12.8208 12.9311 12.9311 13.0414 13.0414 13.2316 13.2316 13.4939 13.4939 13.5111 13.5111 14.0789 14.0789 14.0841 14.0841 14.5508 14.5508 15.8209 15.8209 17.4790 17.4790 17.5697 17.5697 18.7133 18.7133 k = 0.2222 0.3694 0.0000 ( 1680 PWs) bands (ev): 3.1998 3.1998 5.9155 5.9155 8.7905 8.7905 8.8264 8.8264 10.1624 10.1624 10.3291 10.3291 10.8815 10.8815 10.8852 10.8852 11.4122 11.4122 11.4437 11.4437 11.4573 11.4573 11.6486 11.6486 11.9128 11.9128 12.0576 12.0576 12.7927 12.7927 12.7982 12.7982 12.9124 12.9124 13.0026 13.0026 13.2301 13.2301 13.5204 13.5204 13.5302 13.5302 14.0572 14.0572 14.0619 14.0619 14.5406 14.5406 15.6895 15.6895 17.5285 17.5285 17.6177 17.6177 18.6982 18.6982 k = 0.2289 0.3806 0.0000 ( 1684 PWs) bands (ev): 3.2832 3.2832 5.8545 5.8545 8.7438 8.7438 8.7789 8.7789 10.1564 10.1564 10.3625 10.3625 10.8624 10.8624 10.8678 10.8678 11.4153 11.4153 11.4339 11.4339 11.4761 11.4761 11.7133 11.7133 11.9073 11.9073 12.0519 12.0519 12.7752 12.7752 12.8252 12.8252 12.8939 12.8939 12.9636 12.9636 13.2276 13.2276 13.5470 13.5470 13.5497 13.5497 14.0369 14.0369 14.0439 14.0439 14.5302 14.5302 15.5597 15.5597 17.5804 17.5804 17.6680 17.6680 18.6728 18.6728 k = 0.2357 0.3918 0.0000 ( 1684 PWs) bands (ev): 3.3687 3.3687 5.7947 5.7947 8.6970 8.6970 8.7313 8.7313 10.1516 10.1516 10.3957 10.3957 10.8420 10.8420 10.8491 10.8491 11.3826 11.3826 11.4558 11.4558 11.4989 11.4989 11.7770 11.7770 11.9018 11.9018 12.0458 12.0458 12.7520 12.7520 12.8550 12.8550 12.8786 12.8786 12.9247 12.9247 13.2239 13.2239 13.5694 13.5694 13.5739 13.5739 14.0187 14.0187 14.0289 14.0289 14.5196 14.5196 15.4317 15.4317 17.6345 17.6345 17.7204 17.7204 18.6354 18.6354 k = 0.2424 0.4030 0.0000 ( 1684 PWs) bands (ev): 3.4562 3.4562 5.7364 5.7364 8.6501 8.6501 8.6837 8.6837 10.1480 10.1480 10.4285 10.4285 10.8205 10.8205 10.8292 10.8292 11.3493 11.3493 11.4777 11.4777 11.5221 11.5221 11.8393 11.8393 11.8963 11.8963 12.0396 12.0396 12.7287 12.7287 12.8527 12.8527 12.8858 12.8858 12.8961 12.8961 13.2193 13.2193 13.5894 13.5894 13.6009 13.6009 14.0026 14.0026 14.0165 14.0165 14.5088 14.5088 15.3056 15.3056 17.6910 17.6910 17.7750 17.7750 18.5846 18.5846 k = 0.2491 0.4142 0.0000 ( 1684 PWs) bands (ev): 3.5456 3.5456 5.6794 5.6794 8.6032 8.6032 8.6361 8.6361 10.1457 10.1457 10.4608 10.4608 10.7980 10.7980 10.8083 10.8083 11.3155 11.3155 11.4997 11.4997 11.5454 11.5454 11.8907 11.8907 11.9003 11.9003 12.0332 12.0332 12.7052 12.7052 12.8358 12.8358 12.8476 12.8476 12.9283 12.9283 13.2135 13.2135 13.6095 13.6095 13.6278 13.6278 13.9886 13.9886 14.0060 14.0060 14.4977 14.4977 15.1816 15.1816 17.7498 17.7498 17.8318 17.8318 18.5198 18.5198 k = 0.2559 0.4253 0.0000 ( 1692 PWs) bands (ev): 3.6371 3.6371 5.6237 5.6237 8.5562 8.5562 8.5884 8.5884 10.1445 10.1445 10.4923 10.4923 10.7747 10.7747 10.7865 10.7865 11.2813 11.2813 11.5217 11.5217 11.5687 11.5687 11.8852 11.8852 11.9598 11.9598 12.0271 12.0271 12.6815 12.6815 12.8099 12.8099 12.8185 12.8185 12.9611 12.9611 13.2066 13.2066 13.6296 13.6296 13.6545 13.6545 13.9763 13.9763 13.9972 13.9972 14.4862 14.4862 15.0597 15.0597 17.8109 17.8109 17.8908 17.8908 18.4411 18.4411 k = 0.2626 0.4365 0.0000 ( 1692 PWs) bands (ev): 3.7304 3.7304 5.5695 5.5695 8.5094 8.5094 8.5411 8.5411 10.1446 10.1446 10.5232 10.5232 10.7507 10.7507 10.7640 10.7640 11.2466 11.2466 11.5436 11.5436 11.5921 11.5921 11.8795 11.8795 12.0176 12.0176 12.0214 12.0214 12.6574 12.6574 12.7735 12.7735 12.8020 12.8020 12.9936 12.9936 13.1988 13.1988 13.6498 13.6498 13.6810 13.6810 13.9656 13.9656 13.9900 13.9900 14.4747 14.4747 14.9401 14.9401 17.8744 17.8744 17.9520 17.9520 18.3497 18.3497 k = 0.2693 0.4477 0.0000 ( 1692 PWs) bands (ev): 3.8255 3.8255 5.5167 5.5167 8.4628 8.4628 8.4939 8.4939 10.1460 10.1460 10.5531 10.5531 10.7263 10.7263 10.7409 10.7409 11.2117 11.2117 11.5653 11.5653 11.6155 11.6155 11.8737 11.8737 12.0162 12.0162 12.0741 12.0741 12.6323 12.6323 12.7391 12.7391 12.7862 12.7862 13.0253 13.0253 13.1900 13.1900 13.6699 13.6699 13.7072 13.7072 13.9563 13.9563 13.9840 13.9840 14.4629 14.4629 14.8229 14.8229 17.9402 17.9402 18.0150 18.0150 18.2477 18.2477 k = 0.2761 0.4589 0.0000 ( 1700 PWs) bands (ev): 3.9224 3.9224 5.4653 5.4653 8.4163 8.4163 8.4469 8.4469 10.1485 10.1485 10.5817 10.5817 10.7014 10.7014 10.7174 10.7174 11.1763 11.1763 11.5866 11.5866 11.6385 11.6385 11.8676 11.8676 12.0117 12.0117 12.1286 12.1286 12.6058 12.6058 12.7075 12.7075 12.7715 12.7715 13.0557 13.0557 13.1802 13.1802 13.6899 13.6899 13.7330 13.7330 13.9481 13.9481 13.9788 13.9788 14.4510 14.4510 14.7084 14.7084 18.0084 18.0084 18.0757 18.0757 18.1412 18.1412 k = 0.2828 0.4701 0.0000 ( 1700 PWs) bands (ev): 4.0211 4.0211 5.4154 5.4154 8.3702 8.3702 8.4004 8.4004 10.1524 10.1524 10.6087 10.6087 10.6764 10.6764 10.6938 10.6938 11.1408 11.1408 11.6077 11.6077 11.6614 11.6614 11.8613 11.8613 12.0083 12.0083 12.1816 12.1816 12.5771 12.5771 12.6797 12.6797 12.7578 12.7578 13.0849 13.0849 13.1694 13.1694 13.7098 13.7098 13.7584 13.7584 13.9410 13.9410 13.9745 13.9745 14.4389 14.4389 14.5969 14.5969 18.0123 18.0123 18.0788 18.0788 18.1542 18.1542 k = 0.2895 0.4813 0.0000 ( 1692 PWs) bands (ev): 4.1214 4.1214 5.3670 5.3670 8.3246 8.3246 8.3544 8.3544 10.1576 10.1576 10.6331 10.6331 10.6514 10.6514 10.6709 10.6709 11.1053 11.1053 11.6284 11.6284 11.6840 11.6840 11.8546 11.8546 12.0060 12.0060 12.2329 12.2329 12.5462 12.5462 12.6563 12.6563 12.7455 12.7455 13.1123 13.1123 13.1577 13.1577 13.7296 13.7296 13.7832 13.7832 13.9348 13.9348 13.9707 13.9707 14.4266 14.4266 14.4888 14.4888 17.8905 17.8905 18.1515 18.1515 18.2230 18.2230 k = 0.2963 0.4925 0.0000 ( 1692 PWs) bands (ev): 4.2233 4.2233 5.3200 5.3200 8.2794 8.2794 8.3088 8.3088 10.1640 10.1640 10.6264 10.6264 10.6412 10.6412 10.6620 10.6620 11.0701 11.0701 11.6485 11.6485 11.7060 11.7060 11.8475 11.8475 12.0048 12.0048 12.2820 12.2820 12.5131 12.5131 12.6372 12.6372 12.7345 12.7345 13.1372 13.1372 13.1452 13.1452 13.7490 13.7490 13.8073 13.8073 13.9292 13.9292 13.9672 13.9672 14.3844 14.3844 14.4141 14.4141 17.7643 17.7643 18.2264 18.2264 18.2952 18.2952 k = 0.3030 0.5037 0.0000 ( 1684 PWs) bands (ev): 4.3267 4.3267 5.2745 5.2745 8.2347 8.2347 8.2638 8.2638 10.1718 10.1718 10.6016 10.6016 10.6200 10.6200 10.6792 10.6792 11.0360 11.0360 11.6680 11.6680 11.7274 11.7274 11.8401 11.8401 12.0049 12.0049 12.3287 12.3287 12.4788 12.4788 12.6225 12.6225 12.7250 12.7250 13.1316 13.1316 13.1595 13.1595 13.7681 13.7681 13.8304 13.8304 13.9246 13.9246 13.9640 13.9640 14.2843 14.2843 14.4015 14.4015 17.6364 17.6364 18.3035 18.3035 18.3699 18.3699 k = 0.3097 0.5149 0.0000 ( 1692 PWs) bands (ev): 4.4315 4.4315 5.2304 5.2304 8.1907 8.1907 8.2195 8.2195 10.1806 10.1806 10.5771 10.5771 10.5967 10.5967 10.6945 10.6945 11.0034 11.0034 11.6866 11.6866 11.7478 11.7478 11.8319 11.8319 12.0061 12.0061 12.3714 12.3714 12.4446 12.4446 12.6120 12.6120 12.7167 12.7167 13.1173 13.1173 13.1779 13.1779 13.7866 13.7866 13.8519 13.8519 13.9209 13.9209 13.9606 13.9606 14.1895 14.1895 14.3886 14.3886 17.5080 17.5080 18.3827 18.3827 18.4467 18.4467 k = 0.3165 0.5261 0.0000 ( 1692 PWs) bands (ev): 4.5376 4.5376 5.1878 5.1878 8.1473 8.1473 8.1759 8.1759 10.1907 10.1907 10.5530 10.5530 10.5735 10.5735 10.7038 10.7038 10.9747 10.9747 11.7044 11.7044 11.7672 11.7672 11.8238 11.8238 12.0088 12.0088 12.3935 12.3935 12.4270 12.4270 12.6065 12.6065 12.7103 12.7103 13.1021 13.1021 13.1915 13.1915 13.8044 13.8044 13.8706 13.8706 13.9197 13.9197 13.9569 13.9569 14.1014 14.1014 14.3757 14.3757 17.3805 17.3805 18.4639 18.4639 18.5256 18.5256 k = 0.3232 0.5373 0.0000 ( 1688 PWs) bands (ev): 4.6451 4.6451 5.1467 5.1467 8.1048 8.1048 8.1332 8.1332 10.2021 10.2021 10.5294 10.5294 10.5506 10.5506 10.7045 10.7045 10.9519 10.9519 11.7212 11.7212 11.7854 11.7854 11.8156 11.8156 12.0128 12.0128 12.3649 12.3649 12.4554 12.4554 12.6071 12.6071 12.7056 12.7056 13.0861 13.0861 13.1990 13.1990 13.8209 13.8209 13.8830 13.8830 13.9241 13.9241 13.9525 13.9525 14.0223 14.0223 14.3626 14.3626 17.2547 17.2547 18.5471 18.5471 18.6065 18.6065 k = 0.3299 0.5485 0.0000 ( 1688 PWs) bands (ev): 4.7537 4.7537 5.1071 5.1071 8.0631 8.0631 8.0913 8.0913 10.2145 10.2145 10.5063 10.5063 10.5280 10.5280 10.6941 10.6941 10.9374 10.9374 11.7368 11.7368 11.8023 11.8023 11.8074 11.8074 12.0179 12.0179 12.3295 12.3295 12.4839 12.4839 12.6156 12.6156 12.7026 12.7026 13.0694 13.0694 13.1986 13.1986 13.8338 13.8338 13.8863 13.8863 13.9363 13.9363 13.9412 13.9412 13.9622 13.9622 14.3493 14.3493 17.1313 17.1313 18.6320 18.6320 18.6892 18.6892 k = 0.3367 0.5597 0.0000 ( 1692 PWs) bands (ev): 4.8634 4.8634 5.0690 5.0690 8.0224 8.0224 8.0504 8.0504 10.2282 10.2282 10.4839 10.4839 10.5058 10.5058 10.6719 10.6719 10.9317 10.9317 11.7510 11.7510 11.7993 11.7993 11.8175 11.8175 12.0240 12.0240 12.2936 12.2936 12.5054 12.5054 12.6332 12.6332 12.7013 12.7013 13.0520 13.0520 13.1885 13.1885 13.8342 13.8342 13.8840 13.8840 13.9052 13.9052 13.9481 13.9481 13.9541 13.9541 14.3360 14.3360 17.0110 17.0110 18.7187 18.7187 18.7737 18.7737 k = 0.3434 0.5709 0.0000 ( 1692 PWs) bands (ev): 4.9739 4.9739 5.0325 5.0325 7.9827 7.9827 8.0105 8.0105 10.2429 10.2429 10.4622 10.4622 10.4842 10.4842 10.6392 10.6392 10.9334 10.9334 11.7635 11.7635 11.7920 11.7920 11.8313 11.8313 12.0311 12.0311 12.2579 12.2579 12.5203 12.5203 12.6586 12.6586 12.7019 12.7019 13.0339 13.0339 13.1674 13.1674 13.8096 13.8096 13.8794 13.8794 13.8981 13.8981 13.9427 13.9427 13.9726 13.9726 14.3227 14.3227 16.8944 16.8944 18.8069 18.8069 18.8597 18.8597 k = 0.3501 0.5821 0.0000 ( 1700 PWs) bands (ev): 4.9973 4.9973 5.0854 5.0854 7.9440 7.9440 7.9717 7.9717 10.2586 10.2586 10.4412 10.4412 10.4630 10.4630 10.5984 10.5984 10.9400 10.9400 11.7715 11.7715 11.7881 11.7881 11.8433 11.8433 12.0390 12.0390 12.2225 12.2225 12.5315 12.5315 12.6890 12.6890 12.7041 12.7041 13.0151 13.0151 13.1344 13.1344 13.7797 13.7797 13.8735 13.8735 13.9076 13.9076 13.9377 13.9377 13.9912 13.9912 14.3093 14.3093 16.7817 16.7817 18.8966 18.8966 18.9471 18.9471 k = 0.3569 0.5932 0.0000 ( 1700 PWs) bands (ev): 4.9638 4.9638 5.1975 5.1975 7.9065 7.9065 7.9341 7.9341 10.2753 10.2753 10.4212 10.4212 10.4420 10.4420 10.5520 10.5520 10.9494 10.9494 11.7697 11.7697 11.7931 11.7931 11.8537 11.8537 12.0480 12.0480 12.1881 12.1881 12.5415 12.5415 12.7083 12.7083 12.7217 12.7217 12.9956 12.9956 13.0904 13.0904 13.7576 13.7576 13.8669 13.8669 13.9188 13.9188 13.9346 13.9346 14.0096 14.0096 14.2959 14.2959 16.6736 16.6736 18.9874 18.9874 19.0358 19.0358 k = 0.3636 0.6044 0.0000 ( 1708 PWs) bands (ev): 4.9317 4.9317 5.3100 5.3100 7.8702 7.8702 7.8978 7.8978 10.2928 10.2928 10.4021 10.4021 10.4208 10.4208 10.5017 10.5017 10.9603 10.9603 11.7635 11.7635 11.8017 11.8017 11.8622 11.8622 12.0577 12.0577 12.1545 12.1545 12.5517 12.5517 12.7139 12.7139 12.7550 12.7550 12.9752 12.9752 13.0376 13.0376 13.7444 13.7444 13.8595 13.8595 13.9206 13.9206 13.9411 13.9411 14.0272 14.0272 14.2825 14.2825 16.5701 16.5701 19.0793 19.0793 19.1255 19.1255 k = 0.3703 0.6156 0.0000 ( 1708 PWs) bands (ev): 4.9012 4.9012 5.4230 5.4230 7.8353 7.8353 7.8628 7.8628 10.3108 10.3108 10.3844 10.3844 10.3970 10.3970 10.4509 10.4509 10.9717 10.9717 11.7567 11.7567 11.8100 11.8100 11.8690 11.8690 12.0683 12.0683 12.1219 12.1219 12.5631 12.5631 12.7213 12.7213 12.7883 12.7883 12.9518 12.9518 12.9805 12.9805 13.7387 13.7387 13.8515 13.8515 13.9153 13.9153 13.9544 13.9544 14.0443 14.0443 14.2692 14.2692 16.4717 16.4717 19.1719 19.1719 19.2159 19.2159 k = 0.3771 0.6268 0.0000 ( 1700 PWs) bands (ev): 4.8723 4.8723 5.5361 5.5361 7.8018 7.8018 7.8292 7.8292 10.3279 10.3279 10.3615 10.3615 10.3693 10.3693 10.4091 10.4091 10.9833 10.9833 11.7502 11.7502 11.8176 11.8176 11.8742 11.8742 12.0797 12.0797 12.0906 12.0906 12.5757 12.5757 12.7302 12.7302 12.8211 12.8211 12.9056 12.9056 12.9415 12.9415 13.7385 13.7385 13.8431 13.8431 13.9087 13.9087 13.9686 13.9686 14.0607 14.0607 14.2560 14.2560 16.3785 16.3785 19.2650 19.2650 19.3070 19.3070 k = 0.3838 0.6380 0.0000 ( 1700 PWs) bands (ev): 4.8448 4.8448 5.6491 5.6491 7.7697 7.7697 7.7970 7.7970 10.3079 10.3079 10.3359 10.3359 10.3650 10.3650 10.3832 10.3832 10.9947 10.9947 11.7442 11.7442 11.8241 11.8241 11.8777 11.8777 12.0603 12.0603 12.0916 12.0916 12.5896 12.5896 12.7402 12.7402 12.8398 12.8398 12.8530 12.8530 12.9188 12.9188 13.7420 13.7420 13.8341 13.8341 13.9014 13.9014 13.9826 13.9826 14.0763 14.0763 14.2430 14.2430 16.2905 16.2905 19.3583 19.3583 19.3982 19.3982 k = 0.3905 0.6492 0.0000 ( 1700 PWs) bands (ev): 4.8189 4.8189 5.7617 5.7617 7.7390 7.7390 7.7664 7.7664 10.2455 10.2455 10.3267 10.3267 10.3642 10.3642 10.3795 10.3795 11.0057 11.0057 11.7389 11.7389 11.8296 11.8296 11.8796 11.8796 12.0313 12.0313 12.1040 12.1040 12.6047 12.6047 12.7507 12.7507 12.7713 12.7713 12.8837 12.8837 12.8980 12.8980 13.7478 13.7478 13.8245 13.8245 13.8938 13.8938 13.9961 13.9961 14.0910 14.0910 14.2303 14.2303 16.2080 16.2080 19.4515 19.4515 19.4893 19.4893 k = 0.3973 0.6604 0.0000 ( 1692 PWs) bands (ev): 4.7945 4.7945 5.8737 5.8737 7.7099 7.7099 7.7373 7.7373 10.1789 10.1789 10.3134 10.3134 10.3480 10.3480 10.3997 10.3997 11.0163 11.0163 11.7343 11.7343 11.8344 11.8344 11.8800 11.8800 12.0040 12.0040 12.1170 12.1170 12.6209 12.6209 12.7011 12.7011 12.7625 12.7625 12.8781 12.8781 12.9135 12.9135 13.7550 13.7550 13.8147 13.8147 13.8863 13.8863 14.0092 14.0092 14.1048 14.1048 14.2180 14.2180 16.1310 16.1310 19.5442 19.5442 19.5799 19.5799 k = 0.4040 0.6716 0.0000 ( 1692 PWs) bands (ev): 4.7717 4.7717 5.9847 5.9847 7.6824 7.6824 7.7098 7.7098 10.1097 10.1097 10.2999 10.2999 10.3333 10.3333 10.4213 10.4213 11.0263 11.0263 11.7305 11.7305 11.8382 11.8382 11.8786 11.8786 11.9786 11.9786 12.1303 12.1303 12.6320 12.6320 12.6379 12.6379 12.7728 12.7728 12.8598 12.8598 12.9417 12.9417 13.7622 13.7622 13.8044 13.8044 13.8791 13.8791 14.0215 14.0215 14.1174 14.1174 14.2062 14.2062 16.0594 16.0594 19.6359 19.6359 19.6695 19.6695 k = 0.4107 0.6828 0.0000 ( 1692 PWs) bands (ev): 4.7504 4.7504 6.0944 6.0944 7.6566 7.6566 7.6839 7.6839 10.0385 10.0385 10.2871 10.2871 10.3198 10.3198 10.4435 10.4435 11.0359 11.0359 11.7278 11.7278 11.8412 11.8412 11.8751 11.8751 11.9558 11.9558 12.1439 12.1439 12.5640 12.5640 12.6555 12.6555 12.7797 12.7797 12.8457 12.8457 12.9686 12.9686 13.7688 13.7688 13.7939 13.7939 13.8725 13.8725 14.0331 14.0331 14.1285 14.1285 14.1954 14.1954 15.9934 15.9934 19.7262 19.7262 19.7578 19.7578 k = 0.4175 0.6940 0.0000 ( 1692 PWs) bands (ev): 4.7306 4.7306 6.2022 6.2022 7.6324 7.6324 7.6598 7.6598 9.9659 9.9659 10.2751 10.2751 10.3074 10.3074 10.4659 10.4659 11.0448 11.0448 11.7261 11.7261 11.8435 11.8435 11.8690 11.8690 11.9363 11.9363 12.1573 12.1573 12.4979 12.4979 12.6734 12.6734 12.7783 12.7783 12.8403 12.8403 12.9940 12.9940 13.7739 13.7739 13.7832 13.7832 13.8673 13.8673 14.0440 14.0440 14.1376 14.1376 14.1862 14.1862 15.9327 15.9327 19.8145 19.8145 19.8441 19.8441 k = 0.4242 0.7052 0.0000 ( 1716 PWs) bands (ev): 4.7123 4.7123 6.3075 6.3075 7.6100 7.6100 7.6373 7.6373 9.8925 9.8925 10.2637 10.2637 10.2957 10.2957 10.4882 10.4882 11.0531 11.0531 11.7256 11.7256 11.8451 11.8451 11.8593 11.8593 11.9210 11.9210 12.1701 12.1701 12.4344 12.4344 12.6912 12.6912 12.7669 12.7669 12.8451 12.8451 13.0174 13.0174 13.7718 13.7718 13.7772 13.7772 13.8636 13.8636 14.0540 14.0540 14.1427 14.1427 14.1803 14.1803 15.8772 15.8772 19.9002 19.9002 19.9280 19.9280 k = 0.4309 0.7164 0.0000 ( 1712 PWs) bands (ev): 4.6956 4.6956 6.4100 6.4100 7.5893 7.5893 7.6167 7.6167 9.8192 9.8192 10.2536 10.2536 10.2855 10.2855 10.5104 10.5104 11.0609 11.0609 11.7266 11.7266 11.8459 11.8459 11.8472 11.8472 11.9102 11.9102 12.1813 12.1813 12.3751 12.3751 12.7089 12.7089 12.7503 12.7503 12.8556 12.8556 13.0396 13.0396 13.7614 13.7614 13.7776 13.7776 13.8624 13.8624 14.0634 14.0634 14.1422 14.1422 14.1799 14.1799 15.8271 15.8271 19.9828 19.9828 20.0086 20.0086 k = 0.4309 0.7164 0.0000 ( 1712 PWs) bands (ev): 4.6956 4.6956 6.4100 6.4100 7.5893 7.5893 7.6167 7.6167 9.8192 9.8192 10.2536 10.2536 10.2855 10.2855 10.5104 10.5104 11.0609 11.0609 11.7266 11.7266 11.8459 11.8459 11.8472 11.8472 11.9102 11.9102 12.1813 12.1813 12.3751 12.3751 12.7089 12.7089 12.7503 12.7503 12.8556 12.8556 13.0396 13.0396 13.7614 13.7614 13.7776 13.7776 13.8624 13.8624 14.0634 14.0634 14.1422 14.1422 14.1799 14.1799 15.8271 15.8271 19.9828 19.9828 20.0086 20.0086 k = 0.4274 0.7106 0.0112 ( 1713 PWs) bands (ev): 4.7022 4.7022 6.3581 6.3581 7.6003 7.6003 7.6279 7.6279 9.8547 9.8547 10.2586 10.2586 10.2904 10.2904 10.5028 10.5028 11.0570 11.0570 11.7240 11.7240 11.8417 11.8417 11.8556 11.8556 11.9162 11.9162 12.1754 12.1754 12.4050 12.4050 12.7016 12.7016 12.7597 12.7597 12.8510 12.8510 13.0287 13.0287 13.7667 13.7667 13.7744 13.7744 13.8594 13.8594 14.0596 14.0596 14.1415 14.1415 14.1892 14.1892 15.8524 15.8524 19.9377 19.9377 19.9653 19.9653 k = 0.4240 0.7048 0.0224 ( 1709 PWs) bands (ev): 4.7056 4.7056 6.3066 6.3066 7.6112 7.6112 7.6430 7.6430 9.8855 9.8855 10.2630 10.2630 10.2943 10.2943 10.5043 10.5043 11.0533 11.0533 11.7181 11.7181 11.8363 11.8363 11.8599 11.8599 11.9260 11.9260 12.1680 12.1680 12.4359 12.4359 12.6981 12.6981 12.7694 12.7694 12.8497 12.8497 13.0178 13.0178 13.7592 13.7592 13.7748 13.7748 13.8552 13.8552 14.0529 14.0529 14.1475 14.1475 14.2103 14.2103 15.8792 15.8792 19.8835 19.8835 19.9196 19.9196 k = 0.4205 0.6990 0.0337 ( 1705 PWs) bands (ev): 4.7059 4.7059 6.2556 6.2556 7.6189 7.6189 7.6648 7.6648 9.9107 9.9107 10.2660 10.2660 10.2973 10.2973 10.5158 10.5158 11.0498 11.0498 11.7095 11.7095 11.8302 11.8302 11.8591 11.8591 11.9392 11.9392 12.1590 12.1590 12.4666 12.4666 12.6986 12.6986 12.7794 12.7794 12.8515 12.8515 13.0072 13.0072 13.7361 13.7361 13.7813 13.7813 13.8545 13.8545 14.0386 14.0386 14.1676 14.1676 14.2354 14.2354 15.9075 15.9075 19.8172 19.8172 19.8749 19.8749 k = 0.4170 0.6932 0.0449 ( 1703 PWs) bands (ev): 4.7032 4.7032 6.2051 6.2051 7.6229 7.6229 7.6937 7.6937 9.9300 9.9300 10.2674 10.2674 10.3001 10.3001 10.5370 10.5370 11.0466 11.0466 11.6986 11.6986 11.8232 11.8232 11.8539 11.8539 11.9546 11.9546 12.1488 12.1488 12.4966 12.4966 12.7030 12.7030 12.7900 12.7900 12.8564 12.8564 12.9970 12.9970 13.7067 13.7067 13.7881 13.7881 13.8576 13.8576 14.0193 14.0193 14.1972 14.1972 14.2627 14.2627 15.9372 15.9372 19.7397 19.7397 19.8313 19.8313 k = 0.4135 0.6875 0.0561 ( 1701 PWs) bands (ev): 4.6978 4.6978 6.1553 6.1553 7.6241 7.6241 7.7289 7.7289 9.9428 9.9428 10.2682 10.2682 10.3039 10.3039 10.5663 10.5663 11.0438 11.0438 11.6860 11.6860 11.8149 11.8149 11.8454 11.8454 11.9707 11.9707 12.1379 12.1379 12.5253 12.5253 12.7111 12.7111 12.8012 12.8012 12.8640 12.8640 12.9876 12.9876 13.6750 13.6750 13.7945 13.7945 13.8632 13.8632 13.9980 13.9980 14.2321 14.2321 14.2919 14.2919 15.9686 15.9686 19.6529 19.6529 19.7882 19.7882 k = 0.4100 0.6817 0.0673 ( 1697 PWs) bands (ev): 4.6899 4.6899 6.1061 6.1061 7.6231 7.6231 7.7696 7.7696 9.9489 9.9489 10.2702 10.2702 10.3086 10.3086 10.6014 10.6014 11.0415 11.0415 11.6723 11.6723 11.8054 11.8054 11.8342 11.8342 11.9861 11.9861 12.1271 12.1271 12.5520 12.5520 12.7224 12.7224 12.8131 12.8131 12.8740 12.8740 12.9794 12.9794 13.6435 13.6435 13.8000 13.8000 13.8705 13.8705 13.9762 13.9762 14.2694 14.2694 14.3230 14.3230 16.0016 16.0016 19.5585 19.5585 19.7451 19.7451 k = 0.4066 0.6759 0.0785 ( 1699 PWs) bands (ev): 4.6798 4.6798 6.0577 6.0577 7.6202 7.6202 7.8153 7.8153 9.9484 9.9484 10.2750 10.2750 10.3140 10.3140 10.6403 10.6403 11.0399 11.0399 11.6576 11.6576 11.7944 11.7944 11.8208 11.8208 11.9989 11.9989 12.1178 12.1178 12.5764 12.5764 12.7363 12.7363 12.8254 12.8254 12.8861 12.8861 12.9728 12.9728 13.6134 13.6134 13.8040 13.8040 13.8786 13.8786 13.9553 13.9553 14.3073 14.3073 14.3566 14.3566 16.0363 16.0363 19.4584 19.4584 19.7021 19.7021 k = 0.4031 0.6701 0.0898 ( 1700 PWs) bands (ev): 4.6677 4.6677 6.0102 6.0102 7.6157 7.6157 7.8656 7.8656 9.9418 9.9418 10.2833 10.2833 10.3201 10.3201 10.6816 10.6816 11.0390 11.0390 11.6424 11.6424 11.7819 11.7819 11.8054 11.8054 12.0068 12.0068 12.1126 12.1126 12.5980 12.5980 12.7521 12.7521 12.8380 12.8380 12.8996 12.8996 12.9690 12.9690 13.5860 13.5860 13.8055 13.8055 13.8868 13.8868 13.9369 13.9369 14.3445 14.3445 14.3930 14.3930 16.0730 16.0730 19.3541 19.3541 19.6589 19.6589 k = 0.3996 0.6643 0.1010 ( 1698 PWs) bands (ev): 4.6539 4.6539 5.9635 5.9635 7.6099 7.6099 7.9200 7.9200 9.9300 9.9300 10.2948 10.2948 10.3268 10.3268 10.7239 10.7239 11.0393 11.0393 11.6269 11.6269 11.7682 11.7682 11.7884 11.7884 12.0077 12.0077 12.1137 12.1137 12.6167 12.6167 12.7690 12.7690 12.8504 12.8504 12.9136 12.9136 12.9696 12.9696 13.5616 13.5616 13.8032 13.8032 13.8931 13.8931 13.9241 13.9241 14.3806 14.3806 14.4322 14.4322 16.1117 16.1117 19.2475 19.2475 19.6157 19.6157 k = 0.3961 0.6585 0.1122 ( 1700 PWs) bands (ev): 4.6388 4.6388 5.9178 5.9178 7.6030 7.6030 7.9783 7.9783 9.9142 9.9142 10.3085 10.3085 10.3347 10.3347 10.7658 10.7658 11.0409 11.0409 11.6112 11.6112 11.7530 11.7530 11.7699 11.7699 12.0011 12.0011 12.1211 12.1211 12.6322 12.6322 12.7857 12.7857 12.8624 12.8624 12.9268 12.9268 12.9767 12.9767 13.5405 13.5405 13.7960 13.7960 13.8931 13.8931 13.9222 13.9222 14.4160 14.4160 14.4733 14.4733 16.1527 16.1527 19.1402 19.1402 19.5724 19.5724 k = 0.3927 0.6527 0.1234 ( 1700 PWs) bands (ev): 4.6225 4.6225 5.8731 5.8731 7.5952 7.5952 8.0399 8.0399 9.8952 9.8952 10.3223 10.3223 10.3452 10.3452 10.8064 10.8064 11.0441 11.0441 11.5956 11.5956 11.7366 11.7366 11.7505 11.7505 11.9892 11.9892 12.1331 12.1331 12.6446 12.6446 12.8008 12.8008 12.8742 12.8742 12.9386 12.9386 12.9912 12.9912 13.5231 13.5231 13.7832 13.7832 13.8894 13.8894 13.9292 13.9292 14.4511 14.4511 14.5151 14.5151 16.1960 16.1960 19.0339 19.0339 19.5289 19.5289 k = 0.3892 0.6470 0.1347 ( 1698 PWs) bands (ev): 4.6054 4.6054 5.8295 5.8295 7.5867 7.5867 8.1047 8.1047 9.8740 9.8740 10.3334 10.3334 10.3603 10.3603 10.8444 10.8444 11.0495 11.0495 11.5802 11.5802 11.7187 11.7187 11.7307 11.7307 11.9740 11.9740 12.1473 12.1473 12.6539 12.6539 12.8128 12.8128 12.8868 12.8868 12.9509 12.9509 13.0118 13.0118 13.5094 13.5094 13.7659 13.7659 13.8871 13.8871 13.9390 13.9390 14.4865 14.4865 14.5564 14.5564 16.2421 16.2421 18.9301 18.9301 19.4852 19.4852 k = 0.3857 0.6412 0.1459 ( 1701 PWs) bands (ev): 4.5877 4.5877 5.7869 5.7869 7.5776 7.5776 8.1722 8.1722 9.8511 9.8511 10.3416 10.3416 10.3797 10.3797 10.8789 10.8789 11.0576 11.0576 11.5651 11.5651 11.6987 11.6987 11.7113 11.7113 11.9570 11.9570 12.1622 12.1622 12.6604 12.6604 12.8205 12.8205 12.9012 12.9012 12.9652 12.9652 13.0362 13.0362 13.4991 13.4991 13.7454 13.7454 13.8866 13.8866 13.9494 13.9494 14.5227 14.5227 14.5962 14.5962 16.2910 16.2910 18.8303 18.8303 19.4414 19.4414 k = 0.3822 0.6354 0.1571 ( 1703 PWs) bands (ev): 4.5697 4.5697 5.7455 5.7455 7.5683 7.5683 8.2421 8.2421 9.8269 9.8269 10.3485 10.3485 10.4014 10.4014 10.9086 10.9086 11.0688 11.0688 11.5504 11.5504 11.6767 11.6767 11.6930 11.6930 11.9389 11.9389 12.1768 12.1768 12.6645 12.6645 12.8241 12.8241 12.9172 12.9172 12.9820 12.9820 13.0632 13.0632 13.4919 13.4919 13.7230 13.7230 13.8874 13.8874 13.9599 13.9599 14.5598 14.5598 14.6334 14.6334 16.3433 16.3433 18.7361 18.7361 19.3975 19.3975 k = 0.3787 0.6296 0.1683 ( 1699 PWs) bands (ev): 4.5515 4.5515 5.7053 5.7053 7.5588 7.5588 8.3141 8.3141 9.8018 9.8018 10.3546 10.3546 10.4243 10.4243 10.9332 10.9332 11.0836 11.0836 11.5363 11.5363 11.6532 11.6532 11.6757 11.6757 11.9201 11.9201 12.1905 12.1905 12.6669 12.6669 12.8251 12.8251 12.9340 12.9340 13.0016 13.0016 13.0918 13.0918 13.4875 13.4875 13.6997 13.6997 13.8890 13.8890 13.9701 13.9701 14.5982 14.5982 14.6673 14.6673 16.3992 16.3992 18.6490 18.6490 19.3533 19.3533 k = 0.3753 0.6238 0.1795 ( 1701 PWs) bands (ev): 4.5334 4.5334 5.6662 5.6662 7.5493 7.5493 8.3879 8.3879 9.7758 9.7758 10.3602 10.3602 10.4479 10.4479 10.9527 10.9527 11.1010 11.1010 11.5227 11.5227 11.6287 11.6287 11.6592 11.6592 11.9009 11.9009 12.2028 12.2028 12.6682 12.6682 12.8242 12.8242 12.9508 12.9508 13.0236 13.0236 13.1216 13.1216 13.4851 13.4851 13.6758 13.6758 13.8908 13.8908 13.9797 13.9797 14.6376 14.6376 14.6969 14.6969 16.4590 16.4590 18.5701 18.5701 19.3088 19.3088 k = 0.3718 0.6180 0.1908 ( 1699 PWs) bands (ev): 4.5155 4.5155 5.6284 5.6284 7.5400 7.5400 8.4632 8.4632 9.7492 9.7492 10.3655 10.3655 10.4717 10.4717 10.9682 10.9682 11.1200 11.1200 11.5097 11.5097 11.6037 11.6037 11.6436 11.6436 11.8814 11.8814 12.2133 12.2133 12.6691 12.6691 12.8225 12.8225 12.9671 12.9671 13.0475 13.0475 13.1522 13.1522 13.4843 13.4843 13.6519 13.6519 13.8929 13.8929 13.9887 13.9887 14.6774 14.6774 14.7223 14.7223 16.5231 16.5231 18.5009 18.5009 19.2641 19.2641 k = 0.3683 0.6123 0.2020 ( 1705 PWs) bands (ev): 4.4981 4.4981 5.5917 5.5917 7.5311 7.5311 8.5396 8.5396 9.7218 9.7218 10.3703 10.3703 10.4953 10.4953 10.9808 10.9808 11.1389 11.1389 11.4973 11.4973 11.5784 11.5784 11.6292 11.6292 11.8614 11.8614 12.2216 12.2216 12.6704 12.6704 12.8205 12.8205 12.9826 12.9826 13.0728 13.0728 13.1831 13.1831 13.4843 13.4843 13.6281 13.6281 13.8949 13.8949 13.9969 13.9969 14.7133 14.7133 14.7471 14.7471 16.5919 16.5919 18.4423 18.4423 19.2191 19.2191 k = 0.3648 0.6065 0.2132 ( 1705 PWs) bands (ev): 4.4813 4.4813 5.5564 5.5564 7.5226 7.5226 8.6170 8.6170 9.6938 9.6938 10.3747 10.3747 10.5188 10.5188 10.9917 10.9917 11.1562 11.1562 11.4853 11.4853 11.5532 11.5532 11.6165 11.6165 11.8415 11.8415 12.2275 12.2275 12.6727 12.6727 12.8186 12.8186 12.9973 12.9973 13.0990 13.0990 13.2142 13.2142 13.4847 13.4847 13.6050 13.6050 13.8970 13.8970 14.0042 14.0042 14.7337 14.7337 14.7825 14.7825 16.6655 16.6655 18.3954 18.3954 19.1738 19.1738 k = 0.3613 0.6007 0.2244 ( 1705 PWs) bands (ev): 4.4652 4.4652 5.5223 5.5223 7.5148 7.5148 8.6951 8.6951 9.6649 9.6649 10.3788 10.3788 10.5417 10.5417 11.0018 11.0018 11.1712 11.1712 11.4733 11.4733 11.5289 11.5289 11.6057 11.6057 11.8214 11.8214 12.2308 12.2308 12.6763 12.6763 12.8170 12.8170 13.0112 13.0112 13.1257 13.1257 13.2451 13.2451 13.4846 13.4846 13.5830 13.5830 13.8989 13.8989 14.0105 14.0105 14.7388 14.7388 14.8279 14.8279 16.7441 16.7441 18.3607 18.3607 19.1281 19.1281 k = 0.3579 0.5949 0.2356 ( 1711 PWs) bands (ev): 4.4500 4.4500 5.4894 5.4894 7.5076 7.5076 8.7736 8.7736 9.6352 9.6352 10.3824 10.3824 10.5639 10.5639 11.0114 11.0114 11.1830 11.1830 11.4601 11.4601 11.5062 11.5062 11.5971 11.5971 11.8010 11.8010 12.2315 12.2315 12.6816 12.6816 12.8159 12.8159 13.0241 13.0241 13.1522 13.1522 13.2755 13.2755 13.4834 13.4834 13.5627 13.5627 13.9009 13.9009 14.0157 14.0157 14.7341 14.7341 14.8782 14.8782 16.8277 16.8277 18.3389 18.3389 19.0821 19.0821 k = 0.3544 0.5891 0.2469 ( 1709 PWs) bands (ev): 4.4358 4.4358 5.4578 5.4578 7.5014 7.5014 8.8523 8.8523 9.6045 9.6045 10.3857 10.3857 10.5854 10.5854 11.0212 11.0212 11.1915 11.1915 11.4442 11.4442 11.4869 11.4869 11.5910 11.5910 11.7808 11.7808 12.2296 12.2296 12.6886 12.6886 12.8154 12.8154 13.0362 13.0362 13.1783 13.1783 13.3054 13.3054 13.4800 13.4800 13.5452 13.5452 13.9028 13.9028 14.0200 14.0200 14.7213 14.7213 14.9320 14.9320 16.9161 16.9161 18.3302 18.3302 19.0356 19.0356 k = 0.3509 0.5833 0.2581 ( 1707 PWs) bands (ev): 4.4227 4.4227 5.4274 5.4274 7.4961 7.4961 8.9311 8.9311 9.5727 9.5727 10.3885 10.3885 10.6057 10.6057 11.0314 11.0314 11.1968 11.1968 11.4245 11.4245 11.4721 11.4721 11.5875 11.5875 11.7603 11.7603 12.2253 12.2253 12.6971 12.6971 12.8156 12.8156 13.0472 13.0472 13.2036 13.2036 13.3344 13.3344 13.4731 13.4731 13.5318 13.5318 13.9047 13.9047 14.0230 14.0230 14.7015 14.7015 14.9891 14.9891 17.0091 17.0091 18.3345 18.3345 18.9887 18.9887 k = 0.3474 0.5776 0.2693 ( 1705 PWs) bands (ev): 4.4108 4.4108 5.3983 5.3983 7.4919 7.4919 9.0096 9.0096 9.5397 9.5397 10.3908 10.3908 10.6251 10.6251 11.0419 11.0419 11.1992 11.1992 11.4018 11.4018 11.4606 11.4606 11.5864 11.5864 11.7399 11.7399 12.2186 12.2186 12.7072 12.7072 12.8165 12.8165 13.0571 13.0571 13.2275 13.2275 13.3620 13.3620 13.4624 13.4624 13.5230 13.5230 13.9066 13.9066 14.0250 14.0250 14.6755 14.6755 15.0493 15.0493 17.1061 17.1061 18.3520 18.3520 18.9414 18.9414 k = 0.3439 0.5718 0.2805 ( 1702 PWs) bands (ev): 4.4002 4.4002 5.3703 5.3703 7.4889 7.4889 9.0876 9.0876 9.5052 9.5052 10.3927 10.3927 10.6433 10.6433 11.0528 11.0528 11.1991 11.1991 11.3777 11.3777 11.4513 11.4513 11.5877 11.5877 11.7195 11.7195 12.2100 12.2100 12.7183 12.7183 12.8182 12.8182 13.0658 13.0658 13.2496 13.2496 13.3876 13.3876 13.4500 13.4500 13.5183 13.5183 13.9084 13.9084 14.0258 14.0258 14.6444 14.6444 15.1128 15.1128 17.2066 17.2066 18.3822 18.3822 18.8936 18.8936 k = 0.3405 0.5660 0.2917 ( 1706 PWs) bands (ev): 4.3910 4.3910 5.3435 5.3435 7.4871 7.4871 9.1649 9.1649 9.4692 9.4692 10.3941 10.3941 10.6602 10.6602 11.0642 11.0642 11.1970 11.1970 11.3526 11.3526 11.4431 11.4431 11.5908 11.5908 11.6989 11.6989 12.1993 12.1993 12.7301 12.7301 12.8205 12.8205 13.0730 13.0730 13.2691 13.2691 13.4064 13.4064 13.4417 13.4417 13.5164 13.5164 13.9102 13.9102 14.0253 14.0253 14.6093 14.6093 15.1797 15.1797 17.3098 17.3098 18.4249 18.4249 18.8453 18.8453 k = 0.3370 0.5602 0.3030 ( 1702 PWs) bands (ev): 4.3832 4.3832 5.3179 5.3179 7.4866 7.4866 9.2413 9.2413 9.4316 9.4316 10.3951 10.3951 10.6761 10.6761 11.0759 11.0759 11.1936 11.1936 11.3274 11.3274 11.4360 11.4360 11.5957 11.5957 11.6786 11.6786 12.1870 12.1870 12.7422 12.7422 12.8236 12.8236 13.0788 13.0788 13.2856 13.2856 13.4057 13.4057 13.4516 13.4516 13.5171 13.5171 13.9121 13.9121 14.0238 14.0238 14.5716 14.5716 15.2499 15.2499 17.4149 17.4149 18.4797 18.4797 18.7965 18.7965 k = 0.3335 0.5544 0.3142 ( 1706 PWs) bands (ev): 4.3769 4.3769 5.2934 5.2934 7.4876 7.4876 9.3161 9.3161 9.3927 9.3927 10.3955 10.3955 10.6908 10.6908 11.0877 11.0877 11.1894 11.1894 11.3020 11.3020 11.4295 11.4295 11.6018 11.6018 11.6582 11.6582 12.1730 12.1730 12.7540 12.7540 12.8274 12.8274 13.0830 13.0830 13.2982 13.2982 13.3937 13.3937 13.4719 13.4719 13.5205 13.5205 13.9140 13.9140 14.0211 14.0211 14.5322 14.5322 15.3235 15.3235 17.5213 17.5213 18.5461 18.5461 18.7473 18.7473 k = 0.3300 0.5486 0.3254 ( 1704 PWs) bands (ev): 4.3722 4.3722 5.2700 5.2700 7.4900 7.4900 9.3477 9.3477 9.3937 9.3937 10.3955 10.3955 10.7044 10.7044 11.0993 11.0993 11.1852 11.1852 11.2768 11.2768 11.4237 11.4237 11.6088 11.6088 11.6382 11.6382 12.1576 12.1576 12.7655 12.7655 12.8318 12.8318 13.0857 13.0857 13.3065 13.3065 13.3802 13.3802 13.4929 13.4929 13.5274 13.5274 13.9159 13.9159 14.0172 14.0172 14.4924 14.4924 15.4004 15.4004 17.6280 17.6280 18.6227 18.6227 18.6986 18.6986 k = 0.3265 0.5429 0.3366 ( 1702 PWs) bands (ev): 4.3692 4.3692 5.2475 5.2475 7.4939 7.4939 9.3054 9.3054 9.4652 9.4652 10.3951 10.3951 10.7169 10.7169 11.1100 11.1100 11.1819 11.1819 11.2519 11.2519 11.4187 11.4187 11.6136 11.6136 11.6214 11.6214 12.1407 12.1407 12.7760 12.7760 12.8367 12.8367 13.0868 13.0868 13.3107 13.3107 13.3670 13.3670 13.5124 13.5124 13.5383 13.5383 13.9180 13.9180 14.0120 14.0120 14.4531 14.4531 15.4806 15.4806 17.7344 17.7344 18.6437 18.6437 18.7156 18.7156 k = 0.3231 0.5371 0.3479 ( 1696 PWs) bands (ev): 4.3678 4.3678 5.2260 5.2260 7.4995 7.4995 9.2596 9.2596 9.5365 9.5365 10.3943 10.3943 10.7287 10.7287 11.1191 11.1191 11.1804 11.1804 11.2274 11.2274 11.4145 11.4145 11.5971 11.5971 11.6270 11.6270 12.1224 12.1224 12.7854 12.7854 12.8417 12.8417 13.0866 13.0866 13.3113 13.3113 13.3544 13.3544 13.5302 13.5302 13.5531 13.5531 13.9200 13.9200 14.0057 14.0057 14.4149 14.4149 15.5639 15.5639 17.8400 17.8400 18.5941 18.5941 18.8129 18.8129 k = 0.3196 0.5313 0.3591 ( 1696 PWs) bands (ev): 4.3681 4.3681 5.2054 5.2054 7.5067 7.5067 9.2113 9.2113 9.6061 9.6061 10.3932 10.3932 10.7397 10.7397 11.1251 11.1251 11.1815 11.1815 11.2036 11.2036 11.4108 11.4108 11.5776 11.5776 11.6363 11.6363 12.1026 12.1026 12.7934 12.7934 12.8468 12.8468 13.0850 13.0850 13.3091 13.3091 13.3427 13.3427 13.5469 13.5469 13.5703 13.5703 13.9221 13.9221 13.9981 13.9981 14.3785 14.3785 15.6503 15.6503 17.9442 17.9442 18.5428 18.5428 18.9207 18.9207 k = 0.3161 0.5255 0.3703 ( 1695 PWs) bands (ev): 4.3701 4.3701 5.1855 5.1855 7.5156 7.5156 9.1608 9.1608 9.6740 9.6740 10.3916 10.3916 10.7501 10.7501 11.1278 11.1278 11.1757 11.1757 11.1908 11.1908 11.4078 11.4078 11.5582 11.5582 11.6463 11.6463 12.0814 12.0814 12.8000 12.8000 12.8516 12.8516 13.0823 13.0823 13.3053 13.3053 13.3321 13.3321 13.5633 13.5633 13.5885 13.5885 13.9242 13.9242 13.9892 13.9892 14.3443 14.3443 15.7396 15.7396 18.0470 18.0470 18.4907 18.4907 19.0372 19.0372 k = 0.3126 0.5197 0.3815 ( 1697 PWs) bands (ev): 4.3738 4.3738 5.1662 5.1662 7.5262 7.5262 9.1080 9.1080 9.7399 9.7399 10.3898 10.3898 10.7600 10.7600 11.1278 11.1278 11.1533 11.1533 11.1980 11.1980 11.4053 11.4053 11.5389 11.5389 11.6567 11.6567 12.0589 12.0589 12.8049 12.8049 12.8561 12.8561 13.0789 13.0789 13.2999 13.2999 13.3231 13.3231 13.5797 13.5797 13.6068 13.6068 13.9262 13.9262 13.9790 13.9790 14.3126 14.3126 15.8315 15.8315 18.1480 18.1480 18.4381 18.4381 19.1611 19.1611 k = 0.3091 0.5139 0.3927 ( 1692 PWs) bands (ev): 4.3794 4.3794 5.1476 5.1476 7.5386 7.5386 9.0530 9.0530 9.8036 9.8036 10.3877 10.3877 10.7696 10.7696 11.1259 11.1259 11.1304 11.1304 11.2083 11.2083 11.4034 11.4034 11.5202 11.5202 11.6677 11.6677 12.0354 12.0354 12.8082 12.8082 12.8601 12.8601 13.0750 13.0750 13.2927 13.2927 13.3174 13.3174 13.5961 13.5961 13.6247 13.6247 13.9282 13.9282 13.9678 13.9678 14.2836 14.2836 15.9259 15.9259 18.2472 18.2472 18.3853 18.3853 19.2914 19.2914 k = 0.3057 0.5081 0.4040 ( 1690 PWs) bands (ev): 4.3868 4.3868 5.1294 5.1294 7.5528 7.5528 8.9959 8.9959 9.8651 9.8651 10.3855 10.3855 10.7789 10.7789 11.1064 11.1064 11.1250 11.1250 11.2196 11.2196 11.4019 11.4019 11.5016 11.5016 11.6788 11.6788 12.0108 12.0108 12.8094 12.8094 12.8641 12.8641 13.0710 13.0710 13.2833 13.2833 13.3156 13.3156 13.6122 13.6122 13.6421 13.6421 13.9293 13.9293 13.9560 13.9560 14.2572 14.2572 16.0224 16.0224 18.3269 18.3269 18.3499 18.3499 19.4270 19.4270 k = 0.3022 0.5024 0.4152 ( 1692 PWs) bands (ev): 4.3960 4.3960 5.1115 5.1115 7.5688 7.5688 8.9368 8.9368 9.9241 9.9241 10.3831 10.3831 10.7879 10.7879 11.0835 11.0835 11.1235 11.1235 11.2312 11.2312 11.4007 11.4007 11.4834 11.4834 11.6900 11.6900 11.9854 11.9854 12.8088 12.8088 12.8679 12.8679 13.0669 13.0669 13.2721 13.2721 13.3173 13.3173 13.6277 13.6277 13.6588 13.6588 13.9272 13.9272 13.9462 13.9462 14.2332 14.2332 16.1207 16.1207 18.2765 18.2765 18.4429 18.4429 19.5666 19.5666 k = 0.2987 0.4966 0.4264 ( 1693 PWs) bands (ev): 4.4071 4.4071 5.0938 5.0938 7.5867 7.5867 8.8761 8.8761 9.9804 9.9804 10.3806 10.3806 10.7968 10.7968 11.0610 11.0610 11.1229 11.1229 11.2428 11.2428 11.3997 11.3997 11.4653 11.4653 11.7012 11.7012 11.9597 11.9597 12.8067 12.8067 12.8717 12.8717 13.0629 13.0629 13.2600 13.2600 13.3221 13.3221 13.6425 13.6425 13.6748 13.6748 13.9172 13.9172 13.9432 13.9432 14.2118 14.2118 16.2206 16.2206 18.2223 18.2223 18.5380 18.5380 19.7090 19.7090 k = 0.2952 0.4908 0.4376 ( 1691 PWs) bands (ev): 4.4201 4.4201 5.0761 5.0761 7.6064 7.6064 8.8138 8.8138 10.0340 10.0340 10.3782 10.3782 10.8056 10.8056 11.0392 11.0392 11.1233 11.1233 11.2540 11.2540 11.3988 11.3988 11.4476 11.4476 11.7122 11.7122 11.9339 11.9339 12.8034 12.8034 12.8756 12.8756 13.0595 13.0595 13.2473 13.2473 13.3296 13.3296 13.6562 13.6562 13.6901 13.6901 13.9019 13.9019 13.9446 13.9446 14.1925 14.1925 16.3216 16.3216 18.1676 18.1676 18.6321 18.6321 19.8531 19.8531 k = 0.2918 0.4850 0.4488 ( 1690 PWs) bands (ev): 4.4349 4.4349 5.0582 5.0582 7.6281 7.6281 8.7503 8.7503 10.0845 10.0845 10.3759 10.3759 10.8142 10.8142 11.0179 11.0179 11.1248 11.1248 11.2648 11.2648 11.3977 11.3977 11.4303 11.4303 11.7228 11.7228 11.9084 11.9084 12.7997 12.7997 12.8793 12.8793 13.0565 13.0565 13.2340 13.2340 13.3395 13.3395 13.6686 13.6686 13.7044 13.7044 13.8847 13.8847 13.9475 13.9475 14.1751 14.1751 16.4232 16.4232 18.1127 18.1127 18.7251 18.7251 19.9976 19.9976 k = 0.2883 0.4792 0.4601 ( 1692 PWs) bands (ev): 4.4515 4.4515 5.0400 5.0400 7.6516 7.6516 8.6859 8.6859 10.1318 10.1318 10.3737 10.3737 10.8225 10.8225 10.9975 10.9975 11.1275 11.1275 11.2750 11.2750 11.3962 11.3962 11.4132 11.4132 11.7328 11.7328 11.8837 11.8837 12.7960 12.7960 12.8828 12.8828 13.0540 13.0540 13.2203 13.2203 13.3514 13.3514 13.6794 13.6794 13.7176 13.7176 13.8667 13.8667 13.9511 13.9511 14.1593 14.1593 16.5250 16.5250 18.0575 18.0575 18.8171 18.8171 20.1411 20.1411 k = 0.2848 0.4734 0.4713 ( 1694 PWs) bands (ev): 4.4701 4.4701 5.0213 5.0213 7.6771 7.6771 8.6210 8.6210 10.1757 10.1757 10.3717 10.3717 10.8306 10.8306 10.9779 10.9779 11.1316 11.1316 11.2847 11.2847 11.3932 11.3932 11.3974 11.3974 11.7420 11.7420 11.8603 11.8603 12.7928 12.7928 12.8856 12.8856 13.0522 13.0522 13.2063 13.2063 13.3652 13.3652 13.6882 13.6882 13.7297 13.7297 13.8487 13.8487 13.9554 13.9554 14.1449 14.1449 16.6264 16.6264 18.0023 18.0023 18.9082 18.9082 20.2825 20.2825 k = 0.2813 0.4677 0.4825 ( 1694 PWs) bands (ev): 4.4905 4.4905 5.0018 5.0018 7.7044 7.7044 8.5560 8.5560 10.2159 10.2159 10.3700 10.3700 10.8384 10.8384 10.9595 10.9595 11.1371 11.1371 11.2937 11.2937 11.3790 11.3790 11.3926 11.3926 11.7503 11.7503 11.8387 11.8387 12.7906 12.7906 12.8879 12.8879 13.0513 13.0513 13.1921 13.1921 13.3805 13.3805 13.6940 13.6940 13.7406 13.7406 13.8316 13.8316 13.9603 13.9603 14.1317 14.1317 16.7270 16.7270 17.9470 17.9470 18.9984 18.9984 20.4201 20.4201 k = 0.2778 0.4619 0.4937 ( 1694 PWs) bands (ev): 4.5127 4.5127 4.9814 4.9814 7.7337 7.7337 8.4913 8.4913 10.2521 10.2521 10.3687 10.3687 10.8458 10.8458 10.9425 10.9425 11.1441 11.1441 11.3021 11.3021 11.3628 11.3628 11.3893 11.3893 11.7574 11.7574 11.8195 11.8195 12.7897 12.7897 12.8893 12.8893 13.0511 13.0511 13.1779 13.1779 13.3972 13.3972 13.6960 13.6960 13.7501 13.7501 13.8166 13.8166 13.9660 13.9660 14.1194 14.1194 16.8259 16.8259 17.8918 17.8918 19.0876 19.0876 20.5333 20.5333 k = 0.2744 0.4561 0.5049 ( 1694 PWs) bands (ev): 4.5368 4.5368 4.9598 4.9598 7.7649 7.7649 8.4272 8.4272 10.2841 10.2841 10.3678 10.3678 10.8526 10.8526 10.9272 10.9272 11.1526 11.1526 11.3098 11.3098 11.3467 11.3467 11.3852 11.3852 11.7629 11.7629 11.8031 11.8031 12.7904 12.7904 12.8895 12.8895 13.0518 13.0518 13.1637 13.1637 13.4151 13.4151 13.6928 13.6928 13.7585 13.7585 13.8051 13.8051 13.9723 13.9723 14.1077 14.1077 16.9225 16.9225 17.8368 17.8368 19.1758 19.1758 20.4258 20.4258 k = 0.2709 0.4503 0.5162 ( 1696 PWs) bands (ev): 4.5628 4.5628 4.9367 4.9367 7.7980 7.7980 8.3643 8.3643 10.3114 10.3114 10.3674 10.3674 10.8588 10.8588 10.9135 10.9135 11.1624 11.1624 11.3167 11.3167 11.3308 11.3308 11.3805 11.3805 11.7664 11.7664 11.7903 11.7903 12.7929 12.7929 12.8885 12.8885 13.0535 13.0535 13.1499 13.1499 13.4340 13.4340 13.6838 13.6838 13.7655 13.7655 13.7978 13.7978 13.9793 13.9793 14.0966 14.0966 17.0160 17.0160 17.7820 17.7820 19.2630 19.2630 20.3177 20.3177 k = 0.2674 0.4445 0.5274 ( 1698 PWs) bands (ev): 4.5905 4.5905 4.9121 4.9121 7.8330 7.8330 8.3030 8.3030 10.3339 10.3339 10.3677 10.3677 10.8643 10.8643 10.9020 10.9020 11.1736 11.1736 11.3148 11.3148 11.3233 11.3233 11.3749 11.3749 11.7667 11.7667 11.7822 11.7822 12.7971 12.7971 12.8859 12.8859 13.0561 13.0561 13.1366 13.1366 13.4538 13.4538 13.6695 13.6695 13.7714 13.7714 13.7939 13.7939 13.9870 13.9870 14.0859 14.0859 17.1056 17.1056 17.7276 17.7276 19.3491 19.3491 20.2130 20.2130 k = 0.2639 0.4387 0.5386 ( 1698 PWs) bands (ev): 4.6201 4.6201 4.8855 4.8855 7.8698 7.8698 8.2437 8.2437 10.3509 10.3509 10.3690 10.3690 10.8690 10.8690 10.8928 10.8928 11.1861 11.1861 11.2996 11.2996 11.3288 11.3288 11.3688 11.3688 11.7638 11.7638 11.7790 11.7790 12.8032 12.8032 12.8815 12.8815 13.0597 13.0597 13.1240 13.1240 13.4743 13.4743 13.6514 13.6514 13.7764 13.7764 13.7923 13.7923 13.9953 13.9953 14.0755 14.0755 17.1904 17.1904 17.6735 17.6735 19.4340 19.4340 20.1121 20.1121 k = 0.2604 0.4330 0.5498 ( 1698 PWs) bands (ev): 4.6515 4.6515 4.8569 4.8569 7.9086 7.9086 8.1869 8.1869 10.3620 10.3620 10.3718 10.3718 10.8728 10.8728 10.8859 10.8859 11.1996 11.1996 11.2845 11.2845 11.3337 11.3337 11.3626 11.3626 11.7610 11.7610 11.7774 11.7774 12.8112 12.8112 12.8752 12.8752 13.0644 13.0644 13.1124 13.1124 13.4955 13.4955 13.6309 13.6309 13.7807 13.7807 13.7916 13.7916 14.0040 14.0040 14.0653 14.0653 17.2695 17.2695 17.6200 17.6200 19.5175 19.5175 20.0155 20.0155 k = 0.2570 0.4272 0.5610 ( 1700 PWs) bands (ev): 4.6847 4.6847 4.8260 4.8260 7.9491 7.9491 8.1330 8.1330 10.3677 10.3677 10.3757 10.3757 10.8756 10.8756 10.8813 10.8813 11.2138 11.2138 11.2697 11.2697 11.3380 11.3380 11.3564 11.3564 11.7602 11.7602 11.7751 11.7751 12.8207 12.8207 12.8669 12.8669 13.0699 13.0699 13.1018 13.1018 13.5172 13.5172 13.6090 13.6090 13.7841 13.7841 13.7910 13.7910 14.0131 14.0131 14.0553 14.0553 17.3418 17.3418 17.5670 17.5670 19.5995 19.5995 19.9239 19.9239 k = 0.2535 0.4214 0.5723 ( 1704 PWs) bands (ev): 4.7196 4.7196 4.7925 4.7925 7.9915 7.9915 8.0823 8.0823 10.3715 10.3715 10.3773 10.3773 10.8774 10.8774 10.8787 10.8787 11.2282 11.2282 11.2553 11.2553 11.3419 11.3419 11.3509 11.3509 11.7621 11.7621 11.7714 11.7714 12.8318 12.8318 12.8564 12.8564 13.0764 13.0764 13.0923 13.0923 13.5395 13.5395 13.5863 13.5863 13.7869 13.7869 13.7900 13.7900 14.0224 14.0224 14.0456 14.0456 17.4064 17.4064 17.5147 17.5147 19.6798 19.6798 19.8378 19.8378 k = 0.2500 0.4156 0.5835 ( 1708 PWs) bands (ev): 4.7563 4.7563 4.7564 4.7564 8.0354 8.0354 8.0356 8.0356 10.3744 10.3744 10.3759 10.3759 10.8775 10.8775 10.8784 10.8784 11.2413 11.2413 11.2423 11.2423 11.3443 11.3443 11.3476 11.3476 11.7661 11.7661 11.7667 11.7667 12.8440 12.8440 12.8445 12.8445 13.0830 13.0830 13.0846 13.0846 13.5610 13.5610 13.5646 13.5646 13.7881 13.7881 13.7892 13.7892 14.0318 14.0318 14.0361 14.0361 17.4621 17.4621 17.4633 17.4633 19.7577 19.7577 19.7579 19.7579 k = 0.2500 0.4156 0.5835 ( 1708 PWs) bands (ev): 4.7563 4.7563 4.7564 4.7564 8.0354 8.0354 8.0356 8.0356 10.3744 10.3744 10.3759 10.3759 10.8775 10.8775 10.8784 10.8784 11.2413 11.2413 11.2423 11.2423 11.3443 11.3443 11.3476 11.3476 11.7661 11.7661 11.7667 11.7667 12.8440 12.8440 12.8445 12.8445 13.0830 13.0830 13.0846 13.0846 13.5610 13.5610 13.5646 13.5646 13.7881 13.7881 13.7892 13.7892 14.0318 14.0318 14.0361 14.0361 17.4621 17.4621 17.4633 17.4633 19.7577 19.7577 19.7579 19.7579 k = 0.2422 0.4203 0.5744 ( 1704 PWs) bands (ev): 4.7556 4.7556 4.7557 4.7557 8.0370 8.0370 8.0373 8.0373 10.3734 10.3734 10.3749 10.3749 10.8780 10.8780 10.8795 10.8795 11.2406 11.2406 11.2420 11.2420 11.3449 11.3449 11.3490 11.3490 11.7655 11.7655 11.7674 11.7674 12.8435 12.8435 12.8445 12.8445 13.0835 13.0835 13.0855 13.0855 13.5610 13.5610 13.5647 13.5647 13.7870 13.7870 13.7895 13.7895 14.0317 14.0317 14.0360 14.0360 17.4585 17.4585 17.4604 17.4604 19.7586 19.7586 19.7595 19.7595 k = 0.2344 0.4250 0.5653 ( 1702 PWs) bands (ev): 4.7536 4.7536 4.7537 4.7537 8.0420 8.0420 8.0423 8.0423 10.3701 10.3701 10.3716 10.3716 10.8798 10.8798 10.8823 10.8823 11.2387 11.2387 11.2408 11.2408 11.3469 11.3469 11.3524 11.3524 11.7646 11.7646 11.7682 11.7682 12.8425 12.8425 12.8443 12.8443 13.0849 13.0849 13.0879 13.0879 13.5611 13.5611 13.5648 13.5648 13.7847 13.7847 13.7893 13.7893 14.0314 14.0314 14.0358 14.0358 17.4482 17.4482 17.4514 17.4514 19.7620 19.7620 19.7637 19.7637 k = 0.2266 0.4297 0.5561 ( 1700 PWs) bands (ev): 4.7503 4.7503 4.7504 4.7504 8.0503 8.0503 8.0506 8.0506 10.3646 10.3646 10.3661 10.3661 10.8831 10.8831 10.8866 10.8866 11.2360 11.2360 11.2387 11.2387 11.3505 11.3505 11.3574 11.3574 11.7638 11.7638 11.7690 11.7690 12.8412 12.8412 12.8437 12.8437 13.0875 13.0875 13.0913 13.0913 13.5613 13.5613 13.5650 13.5650 13.7814 13.7814 13.7883 13.7883 14.0309 14.0309 14.0354 14.0354 17.4314 17.4314 17.4361 17.4361 19.7678 19.7678 19.7704 19.7704 k = 0.2188 0.4344 0.5470 ( 1698 PWs) bands (ev): 4.7457 4.7457 4.7459 4.7459 8.0618 8.0618 8.0621 8.0621 10.3571 10.3571 10.3587 10.3587 10.8876 10.8876 10.8921 10.8921 11.2329 11.2329 11.2359 11.2359 11.3554 11.3554 11.3636 11.3636 11.7629 11.7629 11.7697 11.7697 12.8396 12.8396 12.8425 12.8425 13.0913 13.0913 13.0959 13.0959 13.5615 13.5615 13.5653 13.5653 13.7773 13.7773 13.7864 13.7864 14.0302 14.0302 14.0349 14.0349 17.4085 17.4085 17.4146 17.4146 19.7759 19.7759 19.7793 19.7793 k = 0.2109 0.4391 0.5379 ( 1692 PWs) bands (ev): 4.7399 4.7399 4.7401 4.7401 8.0764 8.0764 8.0767 8.0767 10.3478 10.3478 10.3493 10.3493 10.8936 10.8936 10.8990 10.8990 11.2296 11.2296 11.2328 11.2328 11.3614 11.3614 11.3708 11.3708 11.7622 11.7622 11.7704 11.7704 12.8379 12.8379 12.8411 12.8411 13.0962 13.0962 13.1014 13.1014 13.5619 13.5619 13.5658 13.5658 13.7723 13.7723 13.7837 13.7837 14.0294 14.0294 14.0344 14.0344 17.3797 17.3797 17.3873 17.3873 19.7861 19.7861 19.7904 19.7904 k = 0.2031 0.4438 0.5288 ( 1688 PWs) bands (ev): 4.7330 4.7330 4.7332 4.7332 8.0940 8.0940 8.0943 8.0943 10.3367 10.3367 10.3383 10.3383 10.9004 10.9004 10.9066 10.9066 11.2263 11.2263 11.2295 11.2295 11.3683 11.3683 11.3786 11.3786 11.7615 11.7615 11.7711 11.7711 12.8362 12.8362 12.8393 12.8393 13.1022 13.1022 13.1078 13.1078 13.5624 13.5624 13.5663 13.5663 13.7665 13.7665 13.7801 13.7801 14.0285 14.0285 14.0337 14.0337 17.3453 17.3453 17.3543 17.3543 19.7982 19.7982 19.8033 19.8033 k = 0.1953 0.4485 0.5197 ( 1690 PWs) bands (ev): 4.7251 4.7251 4.7253 4.7253 8.1145 8.1145 8.1148 8.1148 10.3240 10.3240 10.3255 10.3255 10.9080 10.9080 10.9150 10.9150 11.2231 11.2231 11.2262 11.2262 11.3759 11.3759 11.3868 11.3868 11.7609 11.7609 11.7717 11.7717 12.8344 12.8344 12.8372 12.8372 13.1090 13.1090 13.1149 13.1149 13.5630 13.5630 13.5669 13.5669 13.7598 13.7598 13.7757 13.7757 14.0274 14.0274 14.0329 14.0329 17.3057 17.3057 17.3161 17.3161 19.8121 19.8121 19.8179 19.8179 k = 0.1875 0.4532 0.5106 ( 1688 PWs) bands (ev): 4.7162 4.7162 4.7165 4.7165 8.1376 8.1376 8.1379 8.1379 10.3098 10.3098 10.3113 10.3113 10.9164 10.9164 10.9239 10.9239 11.2201 11.2201 11.2232 11.2232 11.3838 11.3838 11.3952 11.3952 11.7606 11.7606 11.7723 11.7723 12.8327 12.8327 12.8350 12.8350 13.1168 13.1168 13.1226 13.1226 13.5639 13.5639 13.5678 13.5678 13.7524 13.7524 13.7705 13.7705 14.0262 14.0262 14.0320 14.0320 17.2612 17.2612 17.2731 17.2731 19.8273 19.8273 19.8339 19.8339 k = 0.1797 0.4579 0.5014 ( 1688 PWs) bands (ev): 4.7065 4.7065 4.7068 4.7068 8.1633 8.1633 8.1636 8.1636 10.2944 10.2944 10.2958 10.2958 10.9253 10.9253 10.9333 10.9333 11.2175 11.2175 11.2205 11.2205 11.3920 11.3920 11.4036 11.4036 11.7605 11.7605 11.7729 11.7729 12.8312 12.8312 12.8327 12.8327 13.1253 13.1253 13.1311 13.1311 13.5650 13.5650 13.5687 13.5687 13.7442 13.7442 13.7646 13.7646 14.0249 14.0249 14.0311 14.0311 17.2124 17.2124 17.2256 17.2256 19.8437 19.8437 19.8510 19.8510 k = 0.1719 0.4626 0.4923 ( 1692 PWs) bands (ev): 4.6961 4.6961 4.6964 4.6964 8.1912 8.1912 8.1915 8.1915 10.2778 10.2778 10.2792 10.2792 10.9344 10.9344 10.9428 10.9428 11.2153 11.2153 11.2181 11.2181 11.4003 11.4003 11.4120 11.4120 11.7606 11.7606 11.7737 11.7737 12.8297 12.8297 12.8304 12.8304 13.1345 13.1345 13.1401 13.1401 13.5663 13.5663 13.5699 13.5699 13.7353 13.7353 13.7579 13.7579 14.0235 14.0235 14.0301 14.0301 17.1596 17.1596 17.1741 17.1741 19.8610 19.8610 19.8690 19.8690 k = 0.1641 0.4673 0.4832 ( 1690 PWs) bands (ev): 4.6851 4.6851 4.6854 4.6854 8.2213 8.2213 8.2216 8.2216 10.2603 10.2603 10.2616 10.2616 10.9439 10.9439 10.9525 10.9525 11.2137 11.2137 11.2164 11.2164 11.4084 11.4084 11.4200 11.4200 11.7613 11.7613 11.7747 11.7747 12.8279 12.8279 12.8286 12.8286 13.1443 13.1443 13.1498 13.1498 13.5679 13.5679 13.5713 13.5713 13.7258 13.7258 13.7506 13.7506 14.0222 14.0222 14.0292 14.0292 17.1034 17.1034 17.1192 17.1192 19.8790 19.8790 19.8876 19.8876 k = 0.1562 0.4720 0.4741 ( 1688 PWs) bands (ev): 4.6736 4.6736 4.6740 4.6740 8.2532 8.2532 8.2536 8.2536 10.2418 10.2418 10.2430 10.2430 10.9534 10.9534 10.9621 10.9621 11.2126 11.2126 11.2152 11.2152 11.4162 11.4162 11.4275 11.4275 11.7624 11.7624 11.7759 11.7759 12.8256 12.8256 12.8273 12.8273 13.1548 13.1548 13.1601 13.1601 13.5698 13.5698 13.5730 13.5730 13.7159 13.7159 13.7428 13.7428 14.0208 14.0208 14.0283 14.0283 17.0443 17.0443 17.0613 17.0613 19.8974 19.8974 19.9067 19.9067 k = 0.1484 0.4767 0.4650 ( 1688 PWs) bands (ev): 4.6619 4.6619 4.6622 4.6622 8.2867 8.2867 8.2871 8.2871 10.2224 10.2224 10.2237 10.2237 10.9629 10.9629 10.9716 10.9716 11.2120 11.2120 11.2146 11.2146 11.4235 11.4235 11.4344 11.4344 11.7641 11.7641 11.7776 11.7776 12.8232 12.8232 12.8260 12.8260 13.1657 13.1657 13.1710 13.1710 13.5718 13.5718 13.5749 13.5749 13.7056 13.7056 13.7345 13.7345 14.0194 14.0194 14.0273 14.0273 16.9828 16.9828 17.0008 17.0008 19.9159 19.9159 19.9258 19.9258 k = 0.1406 0.4814 0.4559 ( 1686 PWs) bands (ev): 4.6499 4.6499 4.6503 4.6503 8.3215 8.3215 8.3220 8.3220 10.2024 10.2024 10.2037 10.2037 10.9723 10.9723 10.9809 10.9809 11.2120 11.2120 11.2146 11.2146 11.4302 11.4302 11.4406 11.4406 11.7666 11.7666 11.7797 11.7797 12.8208 12.8208 12.8246 12.8246 13.1771 13.1771 13.1827 13.1827 13.5740 13.5740 13.5769 13.5769 13.6951 13.6951 13.7259 13.7259 14.0180 14.0180 14.0264 14.0264 16.9194 16.9194 16.9384 16.9384 19.9344 19.9344 19.9449 19.9449 k = 0.1328 0.4861 0.4467 ( 1688 PWs) bands (ev): 4.6378 4.6378 4.6382 4.6382 8.3575 8.3575 8.3580 8.3580 10.1818 10.1818 10.1831 10.1831 10.9814 10.9814 10.9898 10.9898 11.2124 11.2124 11.2150 11.2150 11.4361 11.4361 11.4459 11.4459 11.7697 11.7697 11.7825 11.7825 12.8182 12.8182 12.8229 12.8229 13.1890 13.1890 13.1951 13.1951 13.5762 13.5762 13.5790 13.5790 13.6846 13.6846 13.7171 13.7171 14.0165 14.0165 14.0254 14.0254 16.8548 16.8548 16.8746 16.8746 19.9527 19.9527 19.9638 19.9638 k = 0.1250 0.4908 0.4376 ( 1688 PWs) bands (ev): 4.6258 4.6258 4.6261 4.6261 8.3943 8.3943 8.3949 8.3949 10.1607 10.1607 10.1621 10.1621 10.9904 10.9904 10.9985 10.9985 11.2132 11.2132 11.2159 11.2159 11.4411 11.4411 11.4502 11.4502 11.7737 11.7737 11.7858 11.7858 12.8156 12.8156 12.8212 12.8212 13.2013 13.2013 13.2082 13.2082 13.5783 13.5783 13.5812 13.5812 13.6744 13.6744 13.7082 13.7082 14.0150 14.0150 14.0244 14.0244 16.7894 16.7894 16.8100 16.8100 19.9705 19.9705 19.9822 19.9822 k = 0.1172 0.4955 0.4285 ( 1690 PWs) bands (ev): 4.6139 4.6139 4.6142 4.6142 8.4316 8.4316 8.4322 8.4322 10.1393 10.1393 10.1407 10.1407 10.9990 10.9990 11.0067 11.0067 11.2145 11.2145 11.2173 11.2173 11.4450 11.4450 11.4535 11.4535 11.7784 11.7784 11.7899 11.7899 12.8130 12.8130 12.8192 12.8192 13.2139 13.2139 13.2221 13.2221 13.5799 13.5799 13.5833 13.5833 13.6650 13.6650 13.6993 13.6993 14.0135 14.0135 14.0233 14.0233 16.7239 16.7239 16.7449 16.7449 19.9878 19.9878 20.0000 20.0000 k = 0.1094 0.5002 0.4194 ( 1688 PWs) bands (ev): 4.6023 4.6023 4.6026 4.6026 8.4692 8.4692 8.4698 8.4698 10.1176 10.1176 10.1191 10.1191 11.0075 11.0075 11.0147 11.0147 11.2161 11.2161 11.2191 11.2191 11.4479 11.4479 11.4557 11.4557 11.7841 11.7841 11.7948 11.7948 12.8102 12.8102 12.8168 12.8168 13.2269 13.2269 13.2367 13.2367 13.5804 13.5804 13.5855 13.5855 13.6569 13.6569 13.6908 13.6908 14.0121 14.0121 14.0223 14.0223 16.6587 16.6587 16.6802 16.6802 20.0043 20.0043 20.0171 20.0171 k = 0.1016 0.5049 0.4103 ( 1690 PWs) bands (ev): 4.5910 4.5910 4.5913 4.5913 8.5066 8.5066 8.5073 8.5073 10.0959 10.0959 10.0974 10.0974 11.0156 11.0156 11.0222 11.0222 11.2180 11.2180 11.2212 11.2212 11.4497 11.4497 11.4567 11.4567 11.7904 11.7904 11.8004 11.8004 12.8072 12.8072 12.8140 12.8140 13.2401 13.2401 13.2519 13.2519 13.5791 13.5791 13.5874 13.5874 13.6506 13.6506 13.6828 13.6828 14.0106 14.0106 14.0211 14.0211 16.5946 16.5946 16.6162 16.6162 20.0199 20.0199 20.0334 20.0334 k = 0.0938 0.5096 0.4011 ( 1688 PWs) bands (ev): 4.5801 4.5801 4.5805 4.5805 8.5437 8.5437 8.5444 8.5444 10.0742 10.0742 10.0758 10.0758 11.0234 11.0234 11.0294 11.0294 11.2202 11.2202 11.2235 11.2235 11.4504 11.4504 11.4568 11.4568 11.7975 11.7975 11.8067 11.8067 12.8041 12.8041 12.8109 12.8109 13.2536 13.2536 13.2678 13.2678 13.5757 13.5757 13.5888 13.5888 13.6468 13.6468 13.6756 13.6756 14.0092 14.0092 14.0200 14.0200 16.5321 16.5321 16.5536 16.5536 20.0346 20.0346 20.0486 20.0486 k = 0.0859 0.5143 0.3920 ( 1692 PWs) bands (ev): 4.5698 4.5698 4.5701 4.5701 8.5799 8.5799 8.5808 8.5808 10.0528 10.0528 10.0544 10.0544 11.0308 11.0308 11.0363 11.0363 11.2224 11.2224 11.2259 11.2259 11.4500 11.4500 11.4559 11.4559 11.8051 11.8051 11.8135 11.8135 12.8008 12.8008 12.8074 12.8074 13.2672 13.2672 13.2840 13.2840 13.5702 13.5702 13.5893 13.5893 13.6453 13.6453 13.6696 13.6696 14.0077 14.0077 14.0186 14.0186 16.4718 16.4718 16.4930 16.4930 20.0481 20.0481 20.0627 20.0627 k = 0.0781 0.5190 0.3829 ( 1696 PWs) bands (ev): 4.5601 4.5601 4.5604 4.5604 8.6151 8.6151 8.6159 8.6159 10.0317 10.0317 10.0334 10.0334 11.0379 11.0379 11.0427 11.0427 11.2247 11.2247 11.2284 11.2284 11.4488 11.4488 11.4541 11.4541 11.8132 11.8132 11.8208 11.8208 12.7973 12.7973 12.8035 12.8035 13.2807 13.2807 13.3004 13.3004 13.5630 13.5630 13.5887 13.5887 13.6459 13.6459 13.6650 13.6650 14.0064 14.0064 14.0173 14.0173 16.4143 16.4143 16.4349 16.4349 20.0605 20.0605 20.0756 20.0756 k = 0.0703 0.5237 0.3738 ( 1696 PWs) bands (ev): 4.5512 4.5512 4.5514 4.5514 8.6488 8.6488 8.6496 8.6496 10.0114 10.0114 10.0131 10.0131 11.0446 11.0446 11.0488 11.0488 11.2271 11.2271 11.2309 11.2309 11.4468 11.4468 11.4518 11.4518 11.8214 11.8214 11.8283 11.8283 12.7938 12.7938 12.7995 12.7995 13.2942 13.2942 13.3168 13.3168 13.5549 13.5549 13.5866 13.5866 13.6481 13.6481 13.6622 13.6622 14.0051 14.0051 14.0159 14.0159 16.3601 16.3601 16.3799 16.3799 20.0715 20.0715 20.0871 20.0871 k = 0.0625 0.5284 0.3647 ( 1694 PWs) bands (ev): 4.5430 4.5430 4.5432 4.5432 8.6806 8.6806 8.6815 8.6815 9.9921 9.9921 9.9937 9.9937 11.0509 11.0509 11.0545 11.0545 11.2294 11.2294 11.2334 11.2334 11.4443 11.4443 11.4489 11.4489 11.8296 11.8296 11.8358 11.8358 12.7901 12.7901 12.7954 12.7954 13.3075 13.3075 13.3328 13.3328 13.5465 13.5465 13.5830 13.5830 13.6512 13.6512 13.6611 13.6611 14.0040 14.0040 14.0145 14.0145 16.3100 16.3100 16.3286 16.3286 20.0812 20.0812 20.0971 20.0971 k = 0.0547 0.5331 0.3556 ( 1698 PWs) bands (ev): 4.5356 4.5356 4.5358 4.5358 8.7101 8.7101 8.7109 8.7109 9.9738 9.9738 9.9754 9.9754 11.0567 11.0567 11.0597 11.0597 11.2316 11.2316 11.2356 11.2356 11.4414 11.4414 11.4456 11.4456 11.8376 11.8376 11.8430 11.8430 12.7867 12.7867 12.7912 12.7912 13.3204 13.3204 13.3480 13.3480 13.5383 13.5383 13.5779 13.5779 13.6547 13.6547 13.6613 13.6613 14.0030 14.0030 14.0130 14.0130 16.2644 16.2644 16.2815 16.2815 20.0894 20.0894 20.1055 20.1055 k = 0.0469 0.5378 0.3464 ( 1698 PWs) bands (ev): 4.5291 4.5291 4.5293 4.5293 8.7369 8.7369 8.7377 8.7377 9.9571 9.9571 9.9587 9.9587 11.0619 11.0619 11.0644 11.0644 11.2336 11.2336 11.2376 11.2376 11.4384 11.4384 11.4423 11.4423 11.8451 11.8451 11.8498 11.8498 12.7834 12.7834 12.7873 12.7873 13.3329 13.3329 13.3620 13.3620 13.5309 13.5309 13.5719 13.5719 13.6583 13.6583 13.6627 13.6627 14.0022 14.0022 14.0114 14.0114 16.2238 16.2238 16.2392 16.2392 20.0963 20.0963 20.1120 20.1120 k = 0.0391 0.5425 0.3373 ( 1696 PWs) bands (ev): 4.5235 4.5235 4.5237 4.5237 8.7605 8.7605 8.7612 8.7612 9.9423 9.9423 9.9437 9.9437 11.0666 11.0666 11.0685 11.0685 11.2355 11.2355 11.2394 11.2394 11.4356 11.4356 11.4390 11.4390 11.8519 11.8519 11.8559 11.8559 12.7804 12.7804 12.7836 12.7836 13.3449 13.3449 13.3741 13.3741 13.5248 13.5248 13.5650 13.5650 13.6619 13.6619 13.6646 13.6646 14.0017 14.0017 14.0098 14.0098 16.1888 16.1888 16.2022 16.2022 20.1019 20.1019 20.1167 20.1167 k = 0.0312 0.5472 0.3282 ( 1692 PWs) bands (ev): 4.5189 4.5189 4.5191 4.5191 8.7806 8.7806 8.7812 8.7812 9.9296 9.9296 9.9309 9.9309 11.0706 11.0706 11.0721 11.0721 11.2372 11.2372 11.2408 11.2408 11.4331 11.4331 11.4361 11.4361 11.8579 11.8579 11.8612 11.8612 12.7779 12.7779 12.7804 12.7804 13.3561 13.3561 13.3837 13.3837 13.5206 13.5206 13.5576 13.5576 13.6651 13.6651 13.6668 13.6668 14.0014 14.0014 14.0083 14.0083 16.1598 16.1598 16.1709 16.1709 20.1062 20.1062 20.1194 20.1194 k = 0.0234 0.5519 0.3191 ( 1696 PWs) bands (ev): 4.5153 4.5153 4.5154 4.5154 8.7967 8.7967 8.7971 8.7971 9.9193 9.9193 9.9205 9.9205 11.0738 11.0738 11.0748 11.0748 11.2386 11.2386 11.2418 11.2418 11.4309 11.4309 11.4335 11.4335 11.8629 11.8629 11.8654 11.8654 12.7757 12.7757 12.7776 12.7776 13.3663 13.3663 13.3901 13.3901 13.5187 13.5187 13.5498 13.5498 13.6677 13.6677 13.6687 13.6687 14.0013 14.0013 14.0068 14.0068 16.1371 16.1371 16.1457 16.1457 20.1096 20.1096 20.1203 20.1203 k = 0.0156 0.5566 0.3100 ( 1694 PWs) bands (ev): 4.5127 4.5127 4.5128 4.5128 8.8085 8.8085 8.8088 8.8088 9.9117 9.9117 9.9129 9.9129 11.0762 11.0762 11.0768 11.0768 11.2396 11.2396 11.2426 11.2426 11.4293 11.4293 11.4315 11.4315 11.8666 11.8666 11.8684 11.8684 12.7742 12.7742 12.7755 12.7755 13.3755 13.3755 13.3932 13.3932 13.5195 13.5195 13.5421 13.5421 13.6697 13.6697 13.6704 13.6704 14.0016 14.0016 14.0053 14.0053 16.1212 16.1212 16.1270 16.1270 20.1123 20.1123 20.1198 20.1198 k = 0.0078 0.5613 0.3009 ( 1694 PWs) bands (ev): 4.5112 4.5112 4.5112 4.5112 8.8157 8.8157 8.8160 8.8160 9.9071 9.9071 9.9082 9.9082 11.0776 11.0776 11.0780 11.0780 11.2403 11.2403 11.2430 11.2430 11.4284 11.4284 11.4301 11.4301 11.8690 11.8690 11.8701 11.8701 12.7734 12.7734 12.7742 12.7742 13.3833 13.3833 13.3926 13.3926 13.5227 13.5227 13.5347 13.5347 13.6709 13.6709 13.6714 13.6714 14.0021 14.0021 14.0041 14.0041 16.1121 16.1121 16.1151 16.1151 20.1146 20.1146 20.1185 20.1185 k = 0.0000 0.5660 0.2917 ( 1690 PWs) bands (ev): 4.5107 4.5107 4.5107 4.5107 8.8182 8.8182 8.8183 8.8183 9.9056 9.9056 9.9067 9.9067 11.0783 11.0783 11.0783 11.0783 11.2406 11.2406 11.2431 11.2431 11.4281 11.4281 11.4298 11.4298 11.8699 11.8699 11.8706 11.8706 12.7731 12.7731 12.7737 12.7737 13.3891 13.3891 13.3893 13.3893 13.5276 13.5276 13.5286 13.5286 13.6713 13.6713 13.6718 13.6718 14.0026 14.0026 14.0034 14.0034 16.1101 16.1101 16.1102 16.1102 20.1165 20.1165 20.1168 20.1168 k = 0.0000 0.5660 0.2917 ( 1690 PWs) bands (ev): 4.5107 4.5107 4.5107 4.5107 8.8182 8.8182 8.8183 8.8183 9.9056 9.9056 9.9067 9.9067 11.0783 11.0783 11.0783 11.0783 11.2406 11.2406 11.2431 11.2431 11.4281 11.4281 11.4298 11.4298 11.8699 11.8699 11.8706 11.8706 12.7731 12.7731 12.7737 12.7737 13.3891 13.3891 13.3893 13.3893 13.5276 13.5276 13.5286 13.5286 13.6713 13.6713 13.6718 13.6718 14.0026 14.0026 14.0034 14.0034 16.1101 16.1101 16.1102 16.1102 20.1165 20.1165 20.1168 20.1168 k =-0.0103 0.5624 0.2987 ( 1694 PWs) bands (ev): 4.4995 4.4995 4.5235 4.5235 8.8134 8.8134 8.8194 8.8194 9.8719 9.8719 9.9421 9.9421 11.0553 11.0553 11.1014 11.1014 11.2378 11.2378 11.2457 11.2457 11.4235 11.4235 11.4350 11.4350 11.8283 11.8283 11.9124 11.9124 12.7641 12.7641 12.7820 12.7820 13.3721 13.3721 13.4051 13.4051 13.5247 13.5247 13.5317 13.5317 13.6514 13.6514 13.6912 13.6912 14.0011 14.0011 14.0053 14.0053 16.0738 16.0738 16.1486 16.1486 19.9931 19.9931 20.0688 20.0688 k =-0.0205 0.5588 0.3056 ( 1694 PWs) bands (ev): 4.4901 4.4901 4.5380 4.5380 8.8050 8.8050 8.8166 8.8166 9.8399 9.8399 9.9791 9.9791 11.0329 11.0329 11.1247 11.1247 11.2340 11.2340 11.2492 11.2492 11.4187 11.4187 11.4418 11.4418 11.7870 11.7870 11.9544 11.9544 12.7544 12.7544 12.7897 12.7897 13.3544 13.3544 13.4191 13.4191 13.5218 13.5218 13.5354 13.5354 13.6318 13.6318 13.7099 13.7099 13.9997 13.9997 14.0077 14.0077 16.0398 16.0398 16.1891 16.1891 19.8593 19.8593 19.9477 19.9477 k =-0.0308 0.5552 0.3126 ( 1698 PWs) bands (ev): 4.4823 4.4823 4.5543 4.5543 8.7934 8.7934 8.8098 8.8098 9.8106 9.8106 10.0166 10.0166 11.0112 11.0112 11.1475 11.1475 11.2299 11.2299 11.2527 11.2527 11.4142 11.4142 11.4493 11.4493 11.7469 11.7469 11.9959 11.9959 12.7445 12.7445 12.7960 12.7960 13.3365 13.3365 13.4302 13.4302 13.5189 13.5189 13.5382 13.5382 13.6144 13.6144 13.7271 13.7271 13.9989 13.9989 14.0104 14.0104 16.0082 16.0082 16.2314 16.2314 19.7235 19.7235 19.8264 19.8264 k =-0.0410 0.5517 0.3195 ( 1699 PWs) bands (ev): 4.4762 4.4762 4.5724 4.5724 8.7787 8.7787 8.7989 8.7989 9.7846 9.7846 10.0541 10.0541 10.9905 10.9905 11.1694 11.1694 11.2256 11.2256 11.2565 11.2565 11.4103 11.4103 11.4576 11.4576 11.7085 11.7085 12.0366 12.0366 12.7348 12.7348 12.8007 12.8007 13.3191 13.3191 13.4379 13.4379 13.5158 13.5158 13.5374 13.5374 13.6030 13.6030 13.7427 13.7427 13.9987 13.9987 14.0132 14.0132 15.9790 15.9790 16.2752 16.2752 19.5876 19.5876 19.7069 19.7069 k =-0.0513 0.5481 0.3265 ( 1697 PWs) bands (ev): 4.4717 4.4717 4.5923 4.5923 8.7611 8.7611 8.7838 8.7838 9.7620 9.7620 10.0907 10.0907 10.9713 10.9713 11.1893 11.1893 11.2213 11.2213 11.2609 11.2609 11.4067 11.4067 11.4670 11.4670 11.6725 11.6725 12.0764 12.0764 12.7253 12.7253 12.8035 12.8035 13.3022 13.3022 13.4416 13.4416 13.5103 13.5103 13.5317 13.5317 13.6017 13.6017 13.7562 13.7562 13.9994 13.9994 14.0162 14.0162 15.9521 15.9521 16.3203 16.3203 19.4529 19.4529 19.5899 19.5899 k =-0.0616 0.5445 0.3334 ( 1703 PWs) bands (ev): 4.4686 4.4686 4.6140 4.6140 8.7407 8.7407 8.7646 8.7646 9.7430 9.7430 10.1260 10.1260 10.9535 10.9535 11.2032 11.2032 11.2194 11.2194 11.2669 11.2669 11.4033 11.4033 11.4771 11.4771 11.6397 11.6397 12.1149 12.1149 12.7161 12.7161 12.8037 12.8037 13.2862 13.2862 13.4410 13.4410 13.4976 13.4976 13.5272 13.5272 13.6089 13.6089 13.7673 13.7673 14.0008 14.0008 14.0193 14.0193 15.9273 15.9273 16.3662 16.3662 19.3208 19.3208 19.4758 19.4758 k =-0.0718 0.5409 0.3404 ( 1697 PWs) bands (ev): 4.4672 4.4672 4.6375 4.6375 8.7178 8.7178 8.7418 8.7418 9.7279 9.7279 10.1592 10.1592 10.9378 10.9378 11.2029 11.2029 11.2258 11.2258 11.2763 11.2763 11.4002 11.4002 11.4883 11.4883 11.6109 11.6109 12.1523 12.1523 12.7076 12.7076 12.8015 12.8015 13.2712 13.2712 13.4365 13.4365 13.4786 13.4786 13.5270 13.5270 13.6212 13.6212 13.7761 13.7761 14.0030 14.0030 14.0228 14.0228 15.9044 15.9044 16.4126 16.4126 19.1925 19.1925 19.3650 19.3650 k =-0.0821 0.5373 0.3473 ( 1698 PWs) bands (ev): 4.4672 4.4672 4.6628 4.6628 8.6922 8.6922 8.7154 8.7154 9.7164 9.7164 10.1896 10.1896 10.9242 10.9242 11.1955 11.1955 11.2315 11.2315 11.2899 11.2899 11.3974 11.3974 11.5003 11.5003 11.5866 11.5866 12.1884 12.1884 12.6996 12.6996 12.7963 12.7963 13.2572 13.2572 13.4273 13.4273 13.4576 13.4576 13.5295 13.5295 13.6359 13.6359 13.7823 13.7823 14.0055 14.0055 14.0266 14.0266 15.8827 15.8827 16.4590 16.4590 19.0694 19.0694 19.2579 19.2579 k =-0.0923 0.5338 0.3543 ( 1700 PWs) bands (ev): 4.4686 4.4686 4.6898 4.6898 8.6640 8.6640 8.6861 8.6861 9.7086 9.7086 10.2167 10.2167 10.9132 10.9132 11.1851 11.1851 11.2330 11.2330 11.3067 11.3067 11.3953 11.3953 11.5131 11.5131 11.5675 11.5675 12.2231 12.2231 12.6924 12.6924 12.7882 12.7882 13.2441 13.2441 13.4124 13.4124 13.4381 13.4381 13.5340 13.5340 13.6515 13.6515 13.7862 13.7862 14.0082 14.0082 14.0309 14.0309 15.8616 15.8616 16.5049 16.5049 18.9529 18.9529 19.1553 19.1553 k =-0.1026 0.5302 0.3612 ( 1696 PWs) bands (ev): 4.4713 4.4713 4.7187 4.7187 8.6331 8.6331 8.6546 8.6546 9.7041 9.7041 10.2399 10.2399 10.9050 10.9050 11.1723 11.1723 11.2312 11.2312 11.3249 11.3249 11.3943 11.3943 11.5258 11.5258 11.5548 11.5548 12.2566 12.2566 12.6859 12.6859 12.7771 12.7771 13.2318 13.2318 13.3915 13.3915 13.4212 13.4212 13.5405 13.5405 13.6673 13.6673 13.7880 13.7880 14.0106 14.0106 14.0359 14.0359 15.8405 15.8405 16.5498 16.5498 18.8443 18.8443 19.0576 19.0576 k =-0.1129 0.5266 0.3682 ( 1692 PWs) bands (ev): 4.4754 4.4754 4.7494 4.7494 8.5995 8.5995 8.6214 8.6214 9.7030 9.7030 10.2588 10.2588 10.8996 10.8996 11.1569 11.1569 11.2267 11.2267 11.3435 11.3435 11.3949 11.3949 11.5338 11.5338 11.5525 11.5525 12.2888 12.2888 12.6803 12.6803 12.7633 12.7633 13.2200 13.2200 13.3672 13.3672 13.4051 13.4051 13.5487 13.5487 13.6826 13.6826 13.7881 13.7881 14.0126 14.0126 14.0417 14.0417 15.8184 15.8184 16.5928 16.5928 18.7450 18.7450 18.9657 18.9657 k =-0.1231 0.5230 0.3751 ( 1698 PWs) bands (ev): 4.4806 4.4806 4.7818 4.7818 8.5632 8.5632 8.5870 8.5870 9.7046 9.7046 10.2730 10.2730 10.8970 10.8970 11.1390 11.1390 11.2198 11.2198 11.3615 11.3615 11.3978 11.3978 11.5331 11.5331 11.5640 11.5640 12.3199 12.3199 12.6752 12.6752 12.7470 12.7470 13.2083 13.2083 13.3412 13.3412 13.3879 13.3879 13.5587 13.5587 13.6966 13.6966 13.7871 13.7871 14.0138 14.0138 14.0479 14.0479 15.7943 15.7943 16.6334 16.6334 18.6564 18.6564 18.8804 18.8804 k =-0.1334 0.5194 0.3820 ( 1698 PWs) bands (ev): 4.4871 4.4871 4.8160 4.8160 8.5246 8.5246 8.5516 8.5516 9.7091 9.7091 10.2827 10.2827 10.8968 10.8968 11.1193 11.1193 11.2108 11.2108 11.3792 11.3792 11.4035 11.4035 11.5325 11.5325 11.5799 11.5799 12.3499 12.3499 12.6706 12.6706 12.7289 12.7289 13.1966 13.1966 13.3147 13.3147 13.3693 13.3693 13.5705 13.5705 13.7084 13.7084 13.7858 13.7858 14.0144 14.0144 14.0543 14.0543 15.7671 15.7671 16.6705 16.6705 18.5796 18.5796 18.8026 18.8026 k =-0.1436 0.5159 0.3890 ( 1700 PWs) bands (ev): 4.4946 4.4946 4.8520 4.8520 8.4842 8.4842 8.5154 8.5154 9.7160 9.7160 10.2879 10.2879 10.8987 10.8987 11.0983 11.0983 11.1997 11.1997 11.3964 11.3964 11.4118 11.4118 11.5345 11.5345 11.5970 11.5970 12.3790 12.3790 12.6656 12.6656 12.7104 12.7104 13.1845 13.1845 13.2879 13.2879 13.3491 13.3491 13.5839 13.5839 13.7170 13.7170 13.7857 13.7857 14.0143 14.0143 14.0608 14.0608 15.7359 15.7359 16.7032 16.7032 18.5158 18.5158 18.7335 18.7335 k =-0.1539 0.5123 0.3959 ( 1700 PWs) bands (ev): 4.5031 4.5031 4.8897 4.8897 8.4425 8.4425 8.4782 8.4782 9.7251 9.7251 10.2891 10.2891 10.9018 10.9018 11.0766 11.0766 11.1867 11.1867 11.4130 11.4130 11.4227 11.4227 11.5389 11.5389 11.6150 11.6150 12.4071 12.4071 12.6576 12.6576 12.6943 12.6943 13.1717 13.1717 13.2613 13.2613 13.3272 13.3272 13.5988 13.5988 13.7213 13.7213 13.7880 13.7880 14.0135 14.0135 14.0672 14.0672 15.6999 15.6999 16.7305 16.7305 18.4658 18.4658 18.6741 18.6741 k =-0.1642 0.5087 0.4029 ( 1698 PWs) bands (ev): 4.5125 4.5125 4.9292 4.9292 8.4001 8.4001 8.4403 8.4403 9.7363 9.7363 10.2867 10.2867 10.9050 10.9050 11.0550 11.0550 11.1715 11.1715 11.4292 11.4292 11.4363 11.4363 11.5456 11.5456 11.6333 11.6333 12.4342 12.4342 12.6426 12.6426 12.6851 12.6851 13.1580 13.1580 13.2350 13.2350 13.3040 13.3040 13.6144 13.6144 13.7209 13.7209 13.7934 13.7934 14.0121 14.0121 14.0733 14.0733 15.6584 15.6584 16.7512 16.7512 18.4303 18.4303 18.6256 18.6256 k =-0.1744 0.5051 0.4098 ( 1696 PWs) bands (ev): 4.5228 4.5228 4.9703 4.9703 8.3571 8.3571 8.4017 8.4017 9.7494 9.7494 10.2814 10.2814 10.9071 10.9071 11.0345 11.0345 11.1541 11.1541 11.4448 11.4448 11.4524 11.4524 11.5545 11.5545 11.6519 11.6519 12.4600 12.4600 12.6216 12.6216 12.6824 12.6824 13.1430 13.1430 13.2094 13.2094 13.2794 13.2794 13.6301 13.6301 13.7176 13.7176 13.8009 13.8009 14.0101 14.0101 14.0790 14.0790 15.6111 15.6111 16.7644 16.7644 18.4093 18.4093 18.5890 18.5890 k =-0.1847 0.5015 0.4168 ( 1696 PWs) bands (ev): 4.5338 4.5338 5.0131 5.0131 8.3141 8.3141 8.3624 8.3624 9.7642 9.7642 10.2736 10.2736 10.9064 10.9064 11.0166 11.0166 11.1347 11.1347 11.4599 11.4599 11.4707 11.4707 11.5654 11.5654 11.6704 11.6704 12.4835 12.4835 12.5987 12.5987 12.6832 12.6832 13.1265 13.1265 13.1847 13.1847 13.2537 13.2537 13.6440 13.6440 13.7142 13.7142 13.8092 13.8092 14.0075 14.0075 14.0843 14.0843 15.5580 15.5580 16.7694 16.7694 18.4027 18.4027 18.5652 18.5652 k =-0.1949 0.4980 0.4237 ( 1700 PWs) bands (ev): 4.5454 4.5454 5.0576 5.0576 8.2711 8.2711 8.3227 8.3227 9.7807 9.7807 10.2640 10.2640 10.9008 10.9008 11.0028 11.0028 11.1130 11.1130 11.4745 11.4745 11.4906 11.4906 11.5783 11.5783 11.6888 11.6888 12.5018 12.5018 12.5786 12.5786 12.6859 12.6859 13.1080 13.1080 13.1615 13.1615 13.2271 13.2271 13.6524 13.6524 13.7151 13.7151 13.8177 13.8177 14.0042 14.0042 14.0890 14.0890 15.4994 15.4994 16.7658 16.7658 18.4099 18.4099 18.5545 18.5545 k =-0.2052 0.4944 0.4307 ( 1702 PWs) bands (ev): 4.5576 4.5576 5.1037 5.1037 8.2285 8.2285 8.2827 8.2827 9.7986 9.7986 10.2529 10.2529 10.8890 10.8890 10.9942 10.9942 11.0895 11.0895 11.4888 11.4888 11.5116 11.5116 11.5935 11.5935 11.7070 11.7070 12.5051 12.5051 12.5715 12.5715 12.6902 12.6902 13.0877 13.0877 13.1397 13.1397 13.1998 13.1998 13.6518 13.6518 13.7242 13.7242 13.8259 13.8259 14.0004 14.0004 14.0933 14.0933 15.4359 15.4359 16.7535 16.7535 18.4301 18.4301 18.5571 18.5571 k =-0.2155 0.4908 0.4376 ( 1702 PWs) bands (ev): 4.5702 4.5702 5.1513 5.1513 8.1864 8.1864 8.2425 8.2425 9.8179 9.8179 10.2408 10.2408 10.8715 10.8715 10.9901 10.9901 11.0642 11.0642 11.5029 11.5029 11.5329 11.5329 11.6112 11.6112 11.7248 11.7248 12.4886 12.4886 12.5828 12.5828 12.6958 12.6958 13.0656 13.0656 13.1195 13.1195 13.1720 13.1720 13.6441 13.6441 13.7398 13.7398 13.8335 13.8335 13.9960 13.9960 14.0972 14.0972 15.3682 15.3682 16.7330 16.7330 18.4622 18.4622 18.5727 18.5727 k =-0.2257 0.4872 0.4446 ( 1704 PWs) bands (ev): 4.5830 4.5830 5.2005 5.2005 8.1451 8.1451 8.2023 8.2023 9.8385 9.8385 10.2281 10.2281 10.8496 10.8496 10.9884 10.9884 11.0377 11.0377 11.5165 11.5165 11.5540 11.5540 11.6315 11.6315 11.7422 11.7422 12.4633 12.4633 12.6014 12.6014 12.7025 12.7025 13.0424 13.0424 13.1003 13.1003 13.1442 13.1442 13.6327 13.6327 13.7587 13.7587 13.8404 13.8404 13.9909 13.9909 14.1005 14.1005 15.2973 15.2973 16.7050 16.7050 18.5050 18.5050 18.6003 18.6003 k =-0.2360 0.4836 0.4515 ( 1701 PWs) bands (ev): 4.5961 4.5961 5.2512 5.2512 8.1047 8.1047 8.1623 8.1623 9.8603 9.8603 10.2149 10.2149 10.8246 10.8246 10.9852 10.9852 11.0125 11.0125 11.5300 11.5300 11.5746 11.5746 11.6546 11.6546 11.7590 11.7590 12.4350 12.4350 12.6212 12.6212 12.7103 12.7103 13.0186 13.0186 13.0818 13.0818 13.1165 13.1165 13.6197 13.6197 13.7789 13.7789 13.8467 13.8467 13.9855 13.9855 14.1033 14.1033 15.2240 15.2240 16.6704 16.6704 18.5571 18.5571 18.6390 18.6390 k =-0.2462 0.4801 0.4585 ( 1701 PWs) bands (ev): 4.6092 4.6092 5.3033 5.3033 8.0653 8.0653 8.1226 8.1226 9.8831 9.8831 10.2016 10.2016 10.7975 10.7975 10.9680 10.9680 11.0004 11.0004 11.5434 11.5434 11.5941 11.5941 11.6804 11.6804 11.7751 11.7751 12.4055 12.4055 12.6401 12.6401 12.7187 12.7187 12.9948 12.9948 13.0638 13.0638 13.0891 13.0891 13.6064 13.6064 13.7988 13.7988 13.8527 13.8527 13.9795 13.9795 14.1058 14.1058 15.1493 15.1493 16.6305 16.6305 18.6173 18.6173 18.6877 18.6877 k =-0.2565 0.4765 0.4654 ( 1701 PWs) bands (ev): 4.6222 4.6222 5.3569 5.3569 8.0270 8.0270 8.0835 8.0835 9.9071 9.9071 10.1882 10.1882 10.7685 10.7685 10.9383 10.9383 10.9997 10.9997 11.5566 11.5566 11.6129 11.6129 11.7080 11.7080 11.7906 11.7906 12.3757 12.3757 12.6571 12.6571 12.7277 12.7277 12.9714 12.9714 13.0458 13.0458 13.0625 13.0625 13.5935 13.5935 13.8172 13.8172 13.8593 13.8593 13.9732 13.9732 14.1078 14.1078 15.0740 15.0740 16.5864 16.5864 18.6842 18.6842 18.7451 18.7451 k =-0.2668 0.4729 0.4723 ( 1698 PWs) bands (ev): 4.6350 4.6350 5.4118 5.4118 7.9899 7.9899 8.0450 8.0450 9.9319 9.9319 10.1748 10.1748 10.7381 10.7381 10.9052 10.9052 11.0012 11.0012 11.5697 11.5697 11.6312 11.6312 11.7369 11.7369 11.8054 11.8054 12.3460 12.3460 12.6713 12.6713 12.7371 12.7371 12.9488 12.9488 13.0275 13.0275 13.0374 13.0374 13.5818 13.5818 13.8316 13.8316 13.8685 13.8685 13.9667 13.9667 14.1095 14.1095 14.9989 14.9989 16.5391 16.5391 18.7565 18.7565 18.8100 18.8100 k =-0.2770 0.4693 0.4793 ( 1699 PWs) bands (ev): 4.6474 4.6474 5.4680 5.4680 7.9541 7.9541 8.0072 8.0072 9.9576 9.9576 10.1617 10.1617 10.7061 10.7061 10.8705 10.8705 11.0033 11.0033 11.5825 11.5825 11.6489 11.6489 11.7663 11.7663 11.8196 11.8196 12.3165 12.3165 12.6822 12.6822 12.7462 12.7462 12.9273 12.9273 13.0076 13.0076 13.0151 13.0151 13.5721 13.5721 13.8399 13.8399 13.8814 13.8814 13.9604 13.9604 14.1108 14.1108 14.9248 14.9248 16.4895 16.4895 18.8332 18.8332 18.8811 18.8811 k =-0.2873 0.4657 0.4862 ( 1701 PWs) bands (ev): 4.6593 4.6593 5.5254 5.5254 7.9197 7.9197 7.9704 7.9704 9.9839 9.9839 10.1487 10.1487 10.6729 10.6729 10.8348 10.8348 11.0057 11.0057 11.5952 11.5952 11.6664 11.6664 11.7949 11.7949 11.8337 11.8337 12.2874 12.2874 12.6892 12.6892 12.7544 12.7544 12.9076 12.9076 12.9861 12.9861 12.9962 12.9962 13.5652 13.5652 13.8434 13.8434 13.8961 13.8961 13.9552 13.9552 14.1118 14.1118 14.8521 14.8521 16.4387 16.4387 18.9133 18.9133 18.9574 18.9574 k =-0.2975 0.4621 0.4932 ( 1698 PWs) bands (ev): 4.6705 4.6705 5.5840 5.5840 7.8866 7.8866 7.9347 7.9347 10.0108 10.0108 10.1360 10.1360 10.6384 10.6384 10.7984 10.7984 11.0083 11.0083 11.6077 11.6077 11.6838 11.6838 11.8206 11.8206 11.8494 11.8494 12.2592 12.2592 12.6922 12.6922 12.7604 12.7604 12.8899 12.8899 12.9658 12.9658 12.9788 12.9788 13.5617 13.5617 13.8440 13.8440 13.9083 13.9083 13.9536 13.9536 14.1125 14.1125 14.7814 14.7814 16.3872 16.3872 18.9959 18.9959 19.0375 19.0375 k =-0.3078 0.4586 0.5001 ( 1703 PWs) bands (ev): 4.6810 4.6810 5.6437 5.6437 7.8549 7.8549 7.9001 7.9001 10.0377 10.0377 10.1237 10.1237 10.6028 10.6028 10.7618 10.7618 11.0110 11.0110 11.6199 11.6199 11.7009 11.7009 11.8393 11.8393 11.8700 11.8700 12.2318 12.2318 12.6912 12.6912 12.7624 12.7624 12.8746 12.8746 12.9482 12.9482 12.9621 12.9621 13.5624 13.5624 13.8425 13.8425 13.9129 13.9129 13.9592 13.9592 14.1130 14.1130 14.7130 14.7130 16.3357 16.3357 19.0802 19.0802 19.1204 19.1204 k =-0.3181 0.4550 0.5071 ( 1697 PWs) bands (ev): 4.6905 4.6905 5.7044 5.7044 7.8248 7.8248 7.8670 7.8670 10.0638 10.0638 10.1126 10.1126 10.5664 10.5664 10.7252 10.7252 11.0141 11.0141 11.6320 11.6320 11.7178 11.7178 11.8515 11.8515 11.8946 11.8946 12.2061 12.2061 12.6865 12.6865 12.7592 12.7592 12.8619 12.8619 12.9345 12.9345 12.9468 12.9468 13.5678 13.5678 13.8397 13.8397 13.9102 13.9102 13.9716 13.9716 14.1134 14.1134 14.6473 14.6473 16.2847 16.2847 19.1657 19.1657 19.2048 19.2048 k =-0.3283 0.4514 0.5140 ( 1697 PWs) bands (ev): 4.6990 4.6990 5.7661 5.7661 7.7960 7.7960 7.8353 7.8353 10.0814 10.0814 10.1096 10.1096 10.5295 10.5295 10.6890 10.6890 11.0173 11.0173 11.6438 11.6438 11.7344 11.7344 11.8599 11.8599 11.9190 11.9190 12.1825 12.1825 12.6779 12.6779 12.7502 12.7502 12.8507 12.8507 12.9230 12.9230 12.9357 12.9357 13.5778 13.5778 13.8356 13.8356 13.9041 13.9041 13.9863 13.9863 14.1136 14.1136 14.5845 14.5845 16.2346 16.2346 19.2515 19.2515 19.2898 19.2898 k =-0.3386 0.4478 0.5210 ( 1695 PWs) bands (ev): 4.7062 4.7062 5.8285 5.8285 7.7687 7.7687 7.8052 7.8052 10.0759 10.0759 10.1289 10.1289 10.4925 10.4925 10.6538 10.6538 11.0208 11.0208 11.6553 11.6553 11.7507 11.7507 11.8660 11.8660 11.9408 11.9408 12.1620 12.1620 12.6655 12.6655 12.7369 12.7369 12.8399 12.8399 12.9097 12.9097 12.9334 12.9334 13.5926 13.5926 13.8304 13.8304 13.8967 13.8967 14.0013 14.0013 14.1139 14.1139 14.5246 14.5246 16.1856 16.1856 19.3371 19.3371 19.3745 19.3745 k =-0.3488 0.4442 0.5279 ( 1701 PWs) bands (ev): 4.7120 4.7120 5.8918 5.8918 7.7429 7.7429 7.7767 7.7767 10.0621 10.0621 10.1549 10.1549 10.4558 10.4558 10.6198 10.6198 11.0245 11.0245 11.6665 11.6665 11.7664 11.7664 11.8701 11.8701 11.9576 11.9576 12.1459 12.1459 12.6484 12.6484 12.7218 12.7218 12.8293 12.8293 12.8955 12.8955 12.9378 12.9378 13.6116 13.6116 13.8241 13.8241 13.8888 13.8888 14.0153 14.0153 14.1143 14.1143 14.4680 14.4680 16.1381 16.1381 19.4216 19.4216 19.4580 19.4580 k =-0.3591 0.4407 0.5349 ( 1699 PWs) bands (ev): 4.7164 4.7164 5.9556 5.9556 7.7184 7.7184 7.7501 7.7501 10.0453 10.0453 10.1812 10.1812 10.4206 10.4206 10.5879 10.5879 11.0285 11.0285 11.6773 11.6773 11.7814 11.7814 11.8726 11.8726 11.9678 11.9678 12.1360 12.1360 12.6257 12.6257 12.7082 12.7082 12.8192 12.8192 12.8819 12.8819 12.9466 12.9466 13.6347 13.6347 13.8172 13.8172 13.8810 13.8810 14.0279 14.0279 14.1151 14.1151 14.4146 14.4146 16.0923 16.0923 19.5044 19.5044 19.5395 19.5395 k =-0.3694 0.4371 0.5418 ( 1699 PWs) bands (ev): 4.7191 4.7191 6.0200 6.0200 7.6954 7.6954 7.7254 7.7254 10.0256 10.0256 10.2063 10.2063 10.3874 10.3874 10.5588 10.5588 11.0327 11.0327 11.6876 11.6876 11.7956 11.7956 11.8736 11.8736 11.9697 11.9697 12.1336 12.1336 12.5973 12.5973 12.6978 12.6978 12.8098 12.8098 12.8696 12.8696 12.9577 12.9577 13.6607 13.6607 13.8096 13.8096 13.8736 13.8736 14.0384 14.0384 14.1167 14.1167 14.3648 14.3648 16.0482 16.0482 19.5848 19.5848 19.6185 19.6185 k =-0.3796 0.4335 0.5488 ( 1699 PWs) bands (ev): 4.7201 4.7201 6.0848 6.0848 7.6738 7.6738 7.7026 7.7026 10.0023 10.0023 10.2290 10.2290 10.3576 10.3576 10.5335 10.5335 11.0371 11.0371 11.6972 11.6972 11.8085 11.8085 11.8732 11.8732 11.9640 11.9640 12.1376 12.1376 12.5644 12.5644 12.6911 12.6911 12.8009 12.8009 12.8593 12.8593 12.9704 12.9704 13.6885 13.6885 13.8016 13.8016 13.8668 13.8668 14.0465 14.0465 14.1193 14.1193 14.3188 14.3188 16.0062 16.0062 19.6619 19.6619 19.6943 19.6943 k =-0.3899 0.4299 0.5557 ( 1701 PWs) bands (ev): 4.7193 4.7193 6.1499 6.1499 7.6537 7.6537 7.6816 7.6816 9.9747 9.9747 10.2475 10.2475 10.3322 10.3322 10.5134 10.5134 11.0417 11.0417 11.7060 11.7060 11.8199 11.8199 11.8715 11.8715 11.9533 11.9533 12.1457 12.1457 12.5282 12.5282 12.6880 12.6880 12.7920 12.7920 12.8516 12.8516 12.9838 12.9838 13.7166 13.7166 13.7933 13.7933 13.8614 13.8614 14.0519 14.0519 14.1233 14.1233 14.2770 14.2770 15.9661 15.9661 19.7353 19.7353 19.7663 19.7663 k =-0.4001 0.4263 0.5627 ( 1701 PWs) bands (ev): 4.7165 4.7165 6.2152 6.2152 7.6351 7.6351 7.6627 7.6627 9.9426 9.9426 10.2599 10.2599 10.3124 10.3124 10.5003 10.5003 11.0464 11.0464 11.7137 11.7137 11.8295 11.8295 11.8686 11.8686 11.9404 11.9404 12.1556 12.1556 12.4901 12.4901 12.6884 12.6884 12.7827 12.7827 12.8472 12.8472 12.9978 12.9978 13.7423 13.7423 13.7850 13.7850 13.8580 13.8580 14.0550 14.0550 14.1285 14.1285 14.2402 14.2402 15.9282 15.9282 19.8045 19.8045 19.8341 19.8341 k =-0.4104 0.4228 0.5696 ( 1706 PWs) bands (ev): 4.7117 4.7117 6.2804 6.2804 7.6181 7.6181 7.6455 7.6455 9.9056 9.9056 10.2635 10.2635 10.2995 10.2995 10.4955 10.4955 11.0512 11.0512 11.7199 11.7199 11.8369 11.8369 11.8639 11.8639 11.9278 11.9278 12.1653 12.1653 12.4511 12.4511 12.6921 12.6921 12.7725 12.7725 12.8465 12.8465 13.0119 13.0119 13.7622 13.7622 13.7771 13.7771 13.8577 13.8577 14.0567 14.0567 14.1347 14.1347 14.2098 14.2098 15.8924 15.8924 19.8690 19.8690 19.8973 19.8973 k =-0.4207 0.4192 0.5765 ( 1714 PWs) bands (ev): 4.7047 4.7047 6.3453 6.3453 7.6028 7.6028 7.6302 7.6302 9.8643 9.8643 10.2597 10.2597 10.2918 10.2918 10.4993 10.4993 11.0560 11.0560 11.7243 11.7243 11.8424 11.8424 11.8568 11.8568 11.9173 11.9173 12.1741 12.1741 12.4124 12.4124 12.6990 12.6990 12.7616 12.7616 12.8494 12.8494 13.0259 13.0259 13.7680 13.7680 13.7750 13.7750 13.8604 13.8604 14.0589 14.0589 14.1405 14.1405 14.1878 14.1878 15.8586 15.8586 19.9285 19.9285 19.9555 19.9555 k =-0.4309 0.4156 0.5835 ( 1712 PWs) bands (ev): 4.6956 4.6956 6.4100 6.4100 7.5893 7.5893 7.6167 7.6167 9.8192 9.8192 10.2536 10.2536 10.2855 10.2855 10.5104 10.5104 11.0609 11.0609 11.7266 11.7266 11.8459 11.8459 11.8472 11.8472 11.9102 11.9102 12.1813 12.1813 12.3751 12.3751 12.7089 12.7089 12.7503 12.7503 12.8556 12.8556 13.0396 13.0396 13.7614 13.7614 13.7776 13.7776 13.8624 13.8624 14.0634 14.0634 14.1422 14.1422 14.1799 14.1799 15.8271 15.8271 19.9828 19.9828 20.0086 20.0086 k =-0.4309 0.4156 0.5835 ( 1712 PWs) bands (ev): 4.6956 4.6956 6.4100 6.4100 7.5893 7.5893 7.6167 7.6167 9.8192 9.8192 10.2536 10.2536 10.2855 10.2855 10.5104 10.5104 11.0609 11.0609 11.7266 11.7266 11.8459 11.8459 11.8472 11.8472 11.9102 11.9102 12.1813 12.1813 12.3751 12.3751 12.7089 12.7089 12.7503 12.7503 12.8556 12.8556 13.0396 13.0396 13.7614 13.7614 13.7776 13.7776 13.8624 13.8624 14.0634 14.0634 14.1422 14.1422 14.1799 14.1799 15.8271 15.8271 19.9828 19.9828 20.0086 20.0086 k =-0.4372 0.4052 0.5835 ( 1720 PWs) bands (ev): 4.6814 4.6814 6.5022 6.5022 7.5717 7.5717 7.5990 7.5990 9.7515 9.7515 10.2444 10.2444 10.2762 10.2762 10.5305 10.5305 11.0676 11.0676 11.7289 11.7289 11.8330 11.8330 11.8472 11.8472 11.9032 11.9032 12.1876 12.1876 12.3261 12.3261 12.7250 12.7250 12.7329 12.7329 12.8673 12.8673 13.0588 13.0588 13.7515 13.7515 13.7756 13.7756 13.8631 13.8631 14.0714 14.0714 14.1374 14.1374 14.1836 14.1836 15.7851 15.7851 20.0562 20.0562 20.0804 20.0804 k =-0.4435 0.3947 0.5835 ( 1712 PWs) bands (ev): 4.6686 4.6686 6.5905 6.5905 7.5557 7.5557 7.5831 7.5831 9.6853 9.6853 10.2366 10.2366 10.2683 10.2683 10.5499 10.5499 11.0738 11.0738 11.7328 11.7328 11.8191 11.8191 11.8478 11.8478 11.8981 11.8981 12.1837 12.1837 12.2899 12.2899 12.7151 12.7151 12.7406 12.7406 12.8796 12.8796 13.0767 13.0767 13.7421 13.7421 13.7720 13.7720 13.8654 13.8654 14.0787 14.0787 14.1308 14.1308 14.1890 14.1890 15.7475 15.7475 20.1257 20.1257 20.1482 20.1482 k =-0.4498 0.3843 0.5835 ( 1712 PWs) bands (ev): 4.6571 4.6571 6.6740 6.6740 7.5413 7.5413 7.5687 7.5687 9.6213 9.6213 10.2295 10.2295 10.2612 10.2612 10.5683 10.5683 11.0795 11.0795 11.7382 11.7382 11.8053 11.8053 11.8482 11.8482 11.8942 11.8942 12.1610 12.1610 12.2744 12.2744 12.6975 12.6975 12.7552 12.7552 12.8916 12.8916 13.0927 13.0927 13.7331 13.7331 13.7672 13.7672 13.8686 13.8686 14.0853 14.0853 14.1238 14.1238 14.1946 14.1946 15.7142 15.7142 20.1904 20.1904 20.2113 20.2113 k =-0.4560 0.3738 0.5835 ( 1712 PWs) bands (ev): 4.6470 4.6470 6.7518 6.7518 7.5285 7.5285 7.5559 7.5559 9.5605 9.5605 10.2232 10.2232 10.2549 10.2549 10.5855 10.5855 11.0847 11.0847 11.7454 11.7454 11.7925 11.7925 11.8484 11.8484 11.8911 11.8911 12.1244 12.1244 12.2753 12.2753 12.6804 12.6804 12.7687 12.7687 12.9031 12.9031 13.1071 13.1071 13.7248 13.7248 13.7618 13.7618 13.8722 13.8722 14.0911 14.0911 14.1171 14.1171 14.2000 14.2000 15.6851 15.6851 20.2498 20.2498 20.2692 20.2692 k =-0.4623 0.3634 0.5835 ( 1712 PWs) bands (ev): 4.6382 4.6382 6.8229 6.8229 7.5174 7.5174 7.5448 7.5448 9.5041 9.5041 10.2178 10.2178 10.2495 10.2495 10.6011 10.6011 11.0892 11.0892 11.7545 11.7545 11.7809 11.7809 11.8485 11.8485 11.8885 11.8885 12.0834 12.0834 12.2827 12.2827 12.6642 12.6642 12.7809 12.7809 12.9136 12.9136 13.1197 13.1197 13.7171 13.7171 13.7563 13.7563 13.8759 13.8759 14.0962 14.0962 14.1110 14.1110 14.2048 14.2048 15.6600 15.6600 20.3031 20.3031 20.3212 20.3212 k =-0.4686 0.3530 0.5835 ( 1712 PWs) bands (ev): 4.6308 4.6308 6.8861 6.8861 7.5080 7.5080 7.5354 7.5354 9.4532 9.4532 10.2132 10.2132 10.2449 10.2449 10.6149 10.6149 11.0932 11.0932 11.7653 11.7653 11.7711 11.7711 11.8487 11.8487 11.8864 11.8864 12.0426 12.0426 12.2920 12.2920 12.6494 12.6494 12.7916 12.7916 12.9229 12.9229 13.1305 13.1305 13.7103 13.7103 13.7511 13.7511 13.8793 13.8793 14.1005 14.1005 14.1055 14.1055 14.2090 14.2090 15.6390 15.6390 20.3496 20.3496 20.3665 20.3665 k =-0.4749 0.3425 0.5835 ( 1712 PWs) bands (ev): 4.6247 4.6247 6.9402 6.9402 7.5003 7.5003 7.5277 7.5277 9.4092 9.4092 10.2095 10.2095 10.2411 10.2411 10.6267 10.6267 11.0964 11.0964 11.7621 11.7621 11.7790 11.7790 11.8489 11.8489 11.8847 11.8847 12.0037 12.0037 12.3012 12.3012 12.6362 12.6362 12.8006 12.8006 12.9308 12.9308 13.1394 13.1394 13.7046 13.7046 13.7464 13.7464 13.8823 13.8823 14.1010 14.1010 14.1041 14.1041 14.2124 14.2124 15.6219 15.6219 20.3887 20.3887 20.4046 20.4046 k =-0.4812 0.3321 0.5835 ( 1712 PWs) bands (ev): 4.6200 4.6200 6.9839 6.9839 7.4943 7.4943 7.5217 7.5217 9.3732 9.3732 10.2066 10.2066 10.2382 10.2382 10.6361 10.6361 11.0990 11.0990 11.7554 11.7554 11.7938 11.7938 11.8496 11.8496 11.8834 11.8834 11.9677 11.9677 12.3095 12.3095 12.6253 12.6253 12.8078 12.8078 12.9372 12.9372 13.1464 13.1464 13.7000 13.7000 13.7426 13.7426 13.8847 13.8847 14.0973 14.0973 14.1069 14.1069 14.2152 14.2152 15.6087 15.6087 20.4199 20.4199 20.4349 20.4349 k =-0.4874 0.3216 0.5835 ( 1708 PWs) bands (ev): 4.6166 4.6166 7.0161 7.0161 7.4899 7.4899 7.5174 7.5174 9.3465 9.3465 10.2046 10.2046 10.2362 10.2362 10.6432 10.6432 11.1009 11.1009 11.7506 11.7506 11.8096 11.8096 11.8515 11.8515 11.8825 11.8825 11.9352 11.9352 12.3159 12.3159 12.6170 12.6170 12.8131 12.8131 12.9419 12.9419 13.1514 13.1514 13.6966 13.6966 13.7397 13.7397 13.8869 13.8869 14.0947 14.0947 14.1088 14.1088 14.2171 14.2171 15.5993 15.5993 20.4425 20.4425 20.4569 20.4569 k =-0.4937 0.3112 0.5835 ( 1708 PWs) bands (ev): 4.6146 4.6146 7.0359 7.0359 7.4874 7.4874 7.5148 7.5148 9.3301 9.3301 10.2033 10.2033 10.2349 10.2349 10.6474 10.6474 11.1020 11.1020 11.7477 11.7477 11.8228 11.8228 11.8563 11.8563 11.8820 11.8820 11.9080 11.9080 12.3201 12.3201 12.6118 12.6118 12.8163 12.8163 12.9447 12.9447 13.1544 13.1544 13.6946 13.6946 13.7380 13.7380 13.8880 13.8880 14.0930 14.0930 14.1100 14.1100 14.2183 14.2183 15.5937 15.5937 20.4562 20.4562 20.4703 20.4703 k =-0.5000 0.3008 0.5835 ( 1708 PWs) bands (ev): 4.6139 4.6139 7.0426 7.0426 7.4865 7.4865 7.5140 7.5140 9.3245 9.3245 10.2029 10.2029 10.2345 10.2345 10.6488 10.6488 11.1024 11.1024 11.7467 11.7467 11.8280 11.8280 11.8620 11.8620 11.8818 11.8818 11.8941 11.8941 12.3215 12.3215 12.6100 12.6100 12.8173 12.8173 12.9457 12.9457 13.1554 13.1554 13.6939 13.6939 13.7374 13.7374 13.8884 13.8884 14.0925 14.0925 14.1104 14.1104 14.2187 14.2187 15.5919 15.5919 20.4608 20.4608 20.4748 20.4748 k = 0.0000 0.0000 0.5835 ( 1686 PWs) bands (ev): 3.3701 3.3701 6.2543 6.2543 8.2224 8.2224 8.4837 8.4837 10.2626 10.2626 10.3732 10.3732 10.5174 10.5174 10.6363 10.6363 10.7953 10.7953 10.9732 10.9732 11.3169 11.3169 11.6170 11.6170 12.2567 12.2567 12.3155 12.3155 12.4657 12.4657 12.7477 12.7477 12.8219 12.8219 12.9293 12.9293 13.3413 13.3413 13.7322 13.7322 13.8594 13.8594 13.9579 13.9579 14.8197 14.8197 15.4562 15.4562 15.6867 15.6867 16.4768 16.4768 19.0638 19.0638 20.1999 20.1999 k = 0.0066 0.0109 0.5835 ( 1696 PWs) bands (ev): 3.3711 3.3711 6.2556 6.2556 8.1847 8.1847 8.5206 8.5206 10.2625 10.2625 10.3737 10.3737 10.5152 10.5152 10.6358 10.6358 10.7956 10.7956 10.9728 10.9728 11.3167 11.3167 11.6177 11.6177 12.2555 12.2555 12.3146 12.3146 12.4655 12.4655 12.7478 12.7478 12.8220 12.8220 12.9307 12.9307 13.3412 13.3412 13.7320 13.7320 13.8585 13.8585 13.9581 13.9581 14.8181 14.8181 15.4576 15.4576 15.6816 15.6816 16.4797 16.4797 19.0686 19.0686 20.2048 20.2048 k = 0.0132 0.0219 0.5835 ( 1700 PWs) bands (ev): 3.3740 3.3740 6.2596 6.2596 8.1038 8.1038 8.6001 8.6001 10.2624 10.2624 10.3754 10.3754 10.5093 10.5093 10.6347 10.6347 10.7970 10.7970 10.9715 10.9715 11.3160 11.3160 11.6202 11.6202 12.2516 12.2516 12.3123 12.3123 12.4649 12.4649 12.7482 12.7482 12.8225 12.8225 12.9353 12.9353 13.3410 13.3410 13.7321 13.7321 13.8560 13.8560 13.9587 13.9587 14.8139 14.8139 15.4622 15.4622 15.6666 15.6666 16.4884 16.4884 19.0827 19.0827 20.2194 20.2194 k = 0.0197 0.0328 0.5835 ( 1700 PWs) bands (ev): 3.3789 3.3789 6.2663 6.2663 8.0087 8.0087 8.6928 8.6928 10.2625 10.2625 10.3784 10.3784 10.4992 10.4992 10.6328 10.6328 10.7993 10.7993 10.9699 10.9699 11.3150 11.3150 11.6242 11.6242 12.2451 12.2451 12.3088 12.3088 12.4641 12.4641 12.7489 12.7489 12.8234 12.8234 12.9426 12.9426 13.3410 13.3410 13.7320 13.7320 13.8521 13.8521 13.9598 13.9598 14.8069 14.8069 15.4698 15.4698 15.6421 15.6421 16.5029 16.5029 19.1055 19.1055 20.2440 20.2440 k = 0.0263 0.0437 0.5835 ( 1700 PWs) bands (ev): 3.3858 3.3858 6.2756 6.2756 7.9084 7.9084 8.7898 8.7898 10.2626 10.2626 10.3826 10.3826 10.4847 10.4847 10.6304 10.6304 10.8027 10.8027 10.9680 10.9680 11.3138 11.3138 11.6296 11.6296 12.2357 12.2357 12.3043 12.3043 12.4631 12.4631 12.7501 12.7501 12.8247 12.8247 12.9523 12.9523 13.3409 13.3409 13.7318 13.7318 13.8468 13.8468 13.9611 13.9611 14.7973 14.7973 15.4803 15.4803 15.6089 15.6089 16.5231 16.5231 19.1361 19.1361 20.2785 20.2785 k = 0.0329 0.0547 0.5835 ( 1700 PWs) bands (ev): 3.3947 3.3947 6.2875 6.2875 7.8058 7.8058 8.8881 8.8881 10.2627 10.2627 10.3880 10.3880 10.4656 10.4656 10.6274 10.6274 10.8069 10.8069 10.9663 10.9663 11.3124 11.3124 11.6361 11.6361 12.2233 12.2233 12.2992 12.2992 12.4621 12.4621 12.7518 12.7518 12.8265 12.8265 12.9641 12.9641 13.3407 13.3407 13.7317 13.7317 13.8404 13.8404 13.9624 13.9624 14.7852 14.7852 15.4938 15.4938 15.5679 15.5679 16.5487 16.5487 19.1733 19.1733 20.3231 20.3231 k = 0.0395 0.0656 0.5835 ( 1704 PWs) bands (ev): 3.4055 3.4055 6.3021 6.3021 7.7020 7.7020 8.9864 8.9864 10.2628 10.2628 10.3943 10.3943 10.4418 10.4418 10.6239 10.6239 10.8120 10.8120 10.9649 10.9649 11.3109 11.3109 11.6435 11.6435 12.2080 12.2080 12.2934 12.2934 12.4611 12.4611 12.7541 12.7541 12.8288 12.8288 12.9776 12.9776 13.3404 13.3404 13.7314 13.7314 13.8328 13.8328 13.9637 13.9637 14.7709 14.7709 15.5076 15.5076 15.5226 15.5226 16.5797 16.5797 19.2159 19.2159 20.3777 20.3777 k = 0.0461 0.0766 0.5835 ( 1704 PWs) bands (ev): 3.4183 3.4183 6.3194 6.3194 7.5976 7.5976 9.0842 9.0842 10.2628 10.2628 10.4001 10.4001 10.4145 10.4145 10.6201 10.6201 10.8181 10.8181 10.9644 10.9644 11.3094 11.3094 11.6517 11.6517 12.1899 12.1899 12.2870 12.2870 12.4604 12.4604 12.7571 12.7571 12.8318 12.8318 12.9923 12.9923 13.3400 13.3400 13.7312 13.7312 13.8246 13.8246 13.9648 13.9648 14.7546 14.7546 15.4645 15.4645 15.5312 15.5312 16.6159 16.6159 19.2626 19.2626 20.4422 20.4422 k = 0.0526 0.0875 0.5835 ( 1704 PWs) bands (ev): 3.4331 3.4331 6.3392 6.3392 7.4931 7.4931 9.1811 9.1811 10.2629 10.2629 10.3769 10.3769 10.4124 10.4124 10.6159 10.6159 10.8250 10.8250 10.9651 10.9651 11.3080 11.3080 11.6603 11.6603 12.1695 12.1695 12.2798 12.2798 12.4601 12.4601 12.7607 12.7607 12.8353 12.8353 13.0079 13.0079 13.3394 13.3394 13.7310 13.7310 13.8157 13.8157 13.9658 13.9658 14.7364 14.7364 15.4058 15.4058 15.5535 15.5535 16.6571 16.6571 19.3123 19.3123 20.5162 20.5162 k = 0.0592 0.0984 0.5835 ( 1704 PWs) bands (ev): 3.4498 3.4498 6.3617 6.3617 7.3886 7.3886 9.2767 9.2767 10.2627 10.2627 10.3384 10.3384 10.4218 10.4218 10.6114 10.6114 10.8328 10.8328 10.9670 10.9670 11.3067 11.3067 11.6692 11.6692 12.1470 12.1470 12.2717 12.2717 12.4602 12.4602 12.7649 12.7649 12.8397 12.8397 13.0240 13.0240 13.3386 13.3386 13.7307 13.7307 13.8063 13.8063 13.9664 13.9664 14.7166 14.7166 15.3429 15.3429 15.5790 15.5790 16.7033 16.7033 19.3642 19.3642 20.5931 20.5931 k = 0.0658 0.1094 0.5835 ( 1702 PWs) bands (ev): 3.4685 3.4685 6.3868 6.3868 7.2845 7.2845 9.3708 9.3708 10.2606 10.2606 10.2966 10.2966 10.4327 10.4327 10.6066 10.6066 10.8415 10.8415 10.9702 10.9702 11.3056 11.3056 11.6782 11.6782 12.1227 12.1227 12.2627 12.2627 12.4609 12.4609 12.7697 12.7697 12.8450 12.8450 13.0403 13.0403 13.3375 13.3375 13.7305 13.7305 13.7966 13.7966 13.9668 13.9668 14.6955 14.6955 15.2769 15.2769 15.6075 15.6075 16.7542 16.7542 19.4175 19.4175 20.5044 20.5044 k = 0.0724 0.1203 0.5835 ( 1694 PWs) bands (ev): 3.4891 3.4891 6.4144 6.4144 7.1806 7.1806 9.4632 9.4632 10.2372 10.2372 10.2713 10.2713 10.4448 10.4448 10.6015 10.6015 10.8510 10.8510 10.9750 10.9750 11.3050 11.3050 11.6871 11.6871 12.0968 12.0968 12.2525 12.2525 12.4624 12.4624 12.7752 12.7752 12.8514 12.8514 13.0565 13.0565 13.3361 13.3361 13.7302 13.7302 13.7868 13.7868 13.9668 13.9668 14.6732 14.6732 15.2086 15.2086 15.6390 15.6390 16.8097 16.8097 19.4717 19.4717 20.4095 20.4095 k = 0.0789 0.1312 0.5835 ( 1690 PWs) bands (ev): 3.5117 3.5117 6.4447 6.4447 7.0772 7.0772 9.5536 9.5536 10.1864 10.1864 10.2691 10.2691 10.4577 10.4577 10.5961 10.5961 10.8613 10.8613 10.9810 10.9810 11.3046 11.3046 11.6957 11.6957 12.0696 12.0696 12.2412 12.2412 12.4645 12.4645 12.7812 12.7812 12.8588 12.8588 13.0722 13.0722 13.3344 13.3344 13.7300 13.7300 13.7771 13.7771 13.9665 13.9665 14.6498 14.6498 15.1387 15.1387 15.6733 15.6733 16.8697 16.8697 19.5266 19.5266 20.3102 20.3102 k = 0.0855 0.1422 0.5835 ( 1694 PWs) bands (ev): 3.5362 3.5362 6.4775 6.4775 6.9743 6.9743 9.6417 9.6417 10.1286 10.1286 10.2694 10.2694 10.4715 10.4715 10.5904 10.5904 10.8722 10.8722 10.9885 10.9885 11.3045 11.3045 11.7036 11.7036 12.0412 12.0412 12.2287 12.2287 12.4673 12.4673 12.7876 12.7876 12.8674 12.8674 13.0871 13.0871 13.3322 13.3322 13.7297 13.7297 13.7675 13.7675 13.9658 13.9658 14.6256 14.6256 15.0678 15.0678 15.7105 15.7105 16.9341 16.9341 19.5820 19.5820 20.2072 20.2072 k = 0.0921 0.1531 0.5835 ( 1700 PWs) bands (ev): 3.5626 3.5626 6.5128 6.5128 6.8721 6.8721 9.7276 9.7276 10.0664 10.0664 10.2703 10.2703 10.4861 10.4861 10.5845 10.5845 10.8839 10.8839 10.9973 10.9973 11.3047 11.3047 11.7113 11.7113 12.0117 12.0117 12.2149 12.2149 12.4708 12.4708 12.7945 12.7945 12.8772 12.8772 13.1009 13.1009 13.3295 13.3295 13.7293 13.7293 13.7585 13.7585 13.9647 13.9647 14.6007 14.6007 14.9963 14.9963 15.7506 15.7506 17.0028 17.0028 19.6380 19.6380 20.1010 20.1010 k = 0.0987 0.1641 0.5835 ( 1706 PWs) bands (ev): 3.5910 3.5910 6.5507 6.5507 6.7706 6.7706 9.8110 9.8110 10.0003 10.0003 10.2716 10.2716 10.5012 10.5012 10.5785 10.5785 10.8961 10.8961 11.0072 11.0072 11.3053 11.3053 11.7182 11.7182 11.9815 11.9815 12.2000 12.2000 12.4752 12.4752 12.8018 12.8018 12.8883 12.8883 13.1133 13.1133 13.3264 13.3264 13.7287 13.7287 13.7503 13.7503 13.9633 13.9633 14.5753 14.5753 14.9249 14.9249 15.7935 15.7935 17.0757 17.0757 19.6946 19.6946 19.9923 19.9923 k = 0.1053 0.1750 0.5835 ( 1702 PWs) bands (ev): 3.6213 3.6213 6.5910 6.5910 6.6699 6.6699 9.8919 9.8919 9.9307 9.9307 10.2735 10.2735 10.5166 10.5166 10.5730 10.5730 10.9090 10.9090 11.0183 11.0183 11.3064 11.3064 11.7244 11.7244 11.9508 11.9508 12.1843 12.1843 12.4808 12.4808 12.8098 12.8098 12.9012 12.9012 13.1242 13.1242 13.3229 13.3229 13.7277 13.7277 13.7436 13.7436 13.9616 13.9616 14.5496 14.5496 14.8537 14.8537 15.8391 15.8391 17.1528 17.1528 19.7517 19.7517 19.8818 19.8818 k = 0.1118 0.1859 0.5835 ( 1702 PWs) bands (ev): 3.6535 3.6535 6.5701 6.5701 6.6339 6.6339 9.8579 9.8579 9.9700 9.9700 10.2757 10.2757 10.5307 10.5307 10.5689 10.5689 10.9224 10.9224 11.0305 11.0305 11.3080 11.3080 11.7297 11.7297 11.9194 11.9194 12.1675 12.1675 12.4869 12.4869 12.8182 12.8182 12.9155 12.9155 13.1333 13.1333 13.3188 13.3188 13.7257 13.7257 13.7390 13.7390 13.9596 13.9596 14.5236 14.5236 14.7831 14.7831 15.8875 15.8875 17.2340 17.2340 19.7672 19.7672 19.8121 19.8121 k = 0.1184 0.1969 0.5835 ( 1708 PWs) bands (ev): 3.6876 3.6876 6.4711 6.4711 6.6791 6.6791 9.7822 9.7822 10.0449 10.0449 10.2784 10.2784 10.5393 10.5393 10.5706 10.5706 10.9361 10.9361 11.0437 11.0437 11.3099 11.3099 11.7341 11.7341 11.8873 11.8873 12.1497 12.1497 12.4939 12.4939 12.8269 12.8269 12.9314 12.9314 13.1401 13.1401 13.3140 13.3140 13.7227 13.7227 13.7367 13.7367 13.9573 13.9573 14.4975 14.4975 14.7133 14.7133 15.9386 15.9386 17.3194 17.3194 19.6548 19.6548 19.8700 19.8700 k = 0.1250 0.2078 0.5835 ( 1708 PWs) bands (ev): 3.7236 3.7236 6.3732 6.3732 6.7268 6.7268 9.7039 9.7039 10.1163 10.1163 10.2822 10.2822 10.5387 10.5387 10.5820 10.5820 10.9503 10.9503 11.0578 11.0578 11.3123 11.3123 11.7376 11.7376 11.8549 11.8549 12.1311 12.1311 12.5017 12.5017 12.8362 12.8362 12.9489 12.9489 13.1447 13.1447 13.3086 13.3086 13.7198 13.7198 13.7360 13.7360 13.9548 13.9548 14.4713 14.4713 14.6445 14.6445 15.9924 15.9924 17.4087 17.4087 19.5403 19.5403 19.9301 19.9301 k = 0.1316 0.2187 0.5835 ( 1712 PWs) bands (ev): 3.7615 3.7615 6.2764 6.2764 6.7769 6.7769 9.6234 9.6234 10.1829 10.1829 10.2880 10.2880 10.5332 10.5332 10.5986 10.5986 10.9646 10.9646 11.0726 11.0726 11.3151 11.3151 11.7402 11.7402 11.8223 11.8223 12.1117 12.1117 12.5104 12.5104 12.8458 12.8458 12.9680 12.9680 13.1467 13.1467 13.3025 13.3025 13.7179 13.7179 13.7360 13.7360 13.9522 13.9522 14.4452 14.4452 14.5767 14.5767 16.0488 16.0488 17.5019 17.5019 19.4253 19.4253 19.9914 19.9914 k = 0.1382 0.2297 0.5835 ( 1696 PWs) bands (ev): 3.8014 3.8014 6.1807 6.1807 6.8294 6.8294 9.5408 9.5408 10.2392 10.2392 10.3017 10.3017 10.5260 10.5260 10.6171 10.6171 10.9792 10.9792 11.0883 11.0883 11.3184 11.3184 11.7417 11.7417 11.7899 11.7899 12.0919 12.0919 12.5207 12.5207 12.8562 12.8562 12.9889 12.9889 13.1465 13.1465 13.2958 13.2958 13.7175 13.7175 13.7367 13.7367 13.9497 13.9497 14.4194 14.4194 14.5104 14.5104 16.1078 16.1078 17.5991 17.5991 19.3099 19.3099 20.0540 20.0540 k = 0.1447 0.2406 0.5835 ( 1700 PWs) bands (ev): 3.8431 3.8431 6.0861 6.0861 6.8841 6.8841 9.4564 9.4564 10.2695 10.2695 10.3383 10.3383 10.5180 10.5180 10.6364 10.6364 10.9937 10.9937 11.1044 11.1044 11.3220 11.3220 11.7411 11.7411 11.7581 11.7581 12.0713 12.0713 12.5314 12.5314 12.8668 12.8668 13.0112 13.0112 13.1434 13.1434 13.2881 13.2881 13.7186 13.7186 13.7377 13.7377 13.9470 13.9470 14.3935 14.3935 14.4452 14.4452 16.1693 16.1693 17.7002 17.7002 19.1944 19.1944 20.1177 20.1177 k = 0.1513 0.2515 0.5835 ( 1700 PWs) bands (ev): 3.8867 3.8867 5.9926 5.9926 6.9411 6.9411 9.3705 9.3705 10.2804 10.2804 10.3915 10.3915 10.5096 10.5096 10.6563 10.6563 11.0080 11.0080 11.1210 11.1210 11.3259 11.3259 11.7210 11.7210 11.7450 11.7450 12.0503 12.0503 12.5432 12.5432 12.8778 12.8778 13.0351 13.0351 13.1379 13.1379 13.2796 13.2796 13.7212 13.7212 13.7391 13.7391 13.9444 13.9444 14.3678 14.3678 14.3815 14.3815 16.2334 16.2334 17.8051 17.8051 19.0790 19.0790 20.1827 20.1827 k = 0.1579 0.2625 0.5835 ( 1700 PWs) bands (ev): 3.9321 3.9321 5.9004 5.9004 7.0004 7.0004 9.2832 9.2832 10.2868 10.2868 10.4466 10.4466 10.5009 10.5009 10.6764 10.6764 11.0222 11.0222 11.1381 11.1381 11.3301 11.3301 11.6882 11.6882 11.7436 11.7436 12.0290 12.0290 12.5560 12.5560 12.8893 12.8893 13.0604 13.0604 13.1300 13.1300 13.2702 13.2702 13.7254 13.7254 13.7407 13.7407 13.9421 13.9421 14.3188 14.3188 14.3427 14.3427 16.2998 16.2998 17.9137 17.9137 18.9641 18.9641 20.2490 20.2490 k = 0.1645 0.2734 0.5835 ( 1700 PWs) bands (ev): 3.9793 3.9793 5.8094 5.8094 7.0619 7.0619 9.1949 9.1949 10.2920 10.2920 10.4917 10.4917 10.5004 10.5004 10.6966 10.6966 11.0360 11.0360 11.1556 11.1556 11.3345 11.3345 11.6548 11.6548 11.7424 11.7424 12.0074 12.0074 12.5700 12.5700 12.9013 12.9013 13.0865 13.0865 13.1204 13.1204 13.2601 13.2601 13.7307 13.7307 13.7427 13.7427 13.9400 13.9400 14.2579 14.2579 14.3176 14.3176 16.3687 16.3687 18.0260 18.0260 18.8496 18.8496 20.3164 20.3164 k = 0.1711 0.2844 0.5835 ( 1696 PWs) bands (ev): 4.0285 4.0285 5.7198 5.7198 7.1255 7.1255 9.1057 9.1057 10.2971 10.2971 10.4828 10.4828 10.5511 10.5511 10.7167 10.7167 11.0494 11.0494 11.1732 11.1732 11.3391 11.3391 11.6214 11.6214 11.7409 11.7409 11.9857 11.9857 12.5852 12.5852 12.9137 12.9137 13.1021 13.1021 13.1207 13.1207 13.2493 13.2493 13.7366 13.7366 13.7453 13.7453 13.9385 13.9385 14.1984 14.1984 14.2929 14.2929 16.4400 16.4400 18.1420 18.1420 18.7359 18.7359 20.3851 20.3851 k = 0.1776 0.2953 0.5835 ( 1694 PWs) bands (ev): 4.0794 4.0794 5.6314 5.6314 7.1913 7.1913 9.0159 9.0159 10.3021 10.3021 10.4737 10.4737 10.5991 10.5991 10.7366 10.7366 11.0624 11.0624 11.1909 11.1909 11.3436 11.3436 11.5878 11.5878 11.7391 11.7391 11.9640 11.9640 12.6014 12.6014 12.9264 12.9264 13.0901 13.0901 13.1479 13.1479 13.2380 13.2380 13.7422 13.7422 13.7490 13.7490 13.9378 13.9378 14.1404 14.1404 14.2685 14.2685 16.5136 16.5136 18.2613 18.2613 18.6230 18.6230 20.4549 20.4549 k = 0.1842 0.3062 0.5835 ( 1698 PWs) bands (ev): 4.1321 4.1321 5.5445 5.5445 7.2591 7.2591 8.9256 8.9256 10.3073 10.3073 10.4645 10.4645 10.6441 10.6441 10.7561 10.7561 11.0750 11.0750 11.2085 11.2085 11.3479 11.3479 11.5542 11.5542 11.7373 11.7373 11.9423 11.9423 12.6188 12.6188 12.9394 12.9394 13.0738 13.0738 13.1781 13.1781 13.2266 13.2266 13.7461 13.7461 13.7546 13.7546 13.9378 13.9378 14.0840 14.0840 14.2445 14.2445 16.5894 16.5894 18.3839 18.3839 18.5112 18.5112 20.5259 20.5259 k = 0.1908 0.3172 0.5835 ( 1698 PWs) bands (ev): 4.1866 4.1866 5.4589 5.4589 7.3288 7.3288 8.8350 8.8350 10.3128 10.3128 10.4552 10.4552 10.6859 10.6859 10.7751 10.7751 11.0873 11.0873 11.2259 11.2259 11.3520 11.3520 11.5208 11.5208 11.7356 11.7356 11.9209 11.9209 12.6374 12.6374 12.9529 12.9529 13.0556 13.0556 13.2033 13.2033 13.2215 13.2215 13.7489 13.7489 13.7611 13.7611 13.9389 13.9389 14.0295 14.0295 14.2209 14.2209 16.6675 16.6675 18.3994 18.3994 18.5108 18.5108 20.5978 20.5978 k = 0.1974 0.3281 0.5835 ( 1700 PWs) bands (ev): 4.2430 4.2430 5.3748 5.3748 7.4005 7.4005 8.7444 8.7444 10.3186 10.3186 10.4459 10.4459 10.7244 10.7244 10.7932 10.7932 11.0995 11.0995 11.2430 11.2430 11.3555 11.3555 11.4875 11.4875 11.7343 11.7343 11.8999 11.8999 12.6570 12.6570 12.9666 12.9666 13.0358 13.0358 13.1973 13.1973 13.2486 13.2486 13.7511 13.7511 13.7672 13.7672 13.9400 13.9400 13.9784 13.9784 14.1977 14.1977 16.7477 16.7477 18.2899 18.2899 18.6397 18.6397 20.6704 20.6704 k = 0.2039 0.3390 0.5835 ( 1696 PWs) bands (ev): 4.3011 4.3011 5.2921 5.2921 7.4741 7.4741 8.6539 8.6539 10.3247 10.3247 10.4367 10.4367 10.7593 10.7593 10.8105 10.8105 11.1121 11.1121 11.2595 11.2595 11.3586 11.3586 11.4546 11.4546 11.7336 11.7336 11.8795 11.8795 12.6778 12.6778 12.9806 12.9806 13.0148 13.0148 13.1846 13.1846 13.2833 13.2833 13.7524 13.7524 13.7723 13.7723 13.9203 13.9203 13.9524 13.9524 14.1750 14.1750 16.8301 16.8301 18.1813 18.1813 18.7718 18.7718 20.7274 20.7274 k = 0.2105 0.3500 0.5835 ( 1696 PWs) bands (ev): 4.3610 4.3610 5.2109 5.2109 7.5495 7.5495 8.5636 8.5636 10.3310 10.3310 10.4275 10.4275 10.7902 10.7902 10.8265 10.8265 11.1252 11.1252 11.2754 11.2754 11.3608 11.3608 11.4221 11.4221 11.7338 11.7338 11.8597 11.8597 12.6995 12.6995 12.9897 12.9897 12.9977 12.9977 13.1710 13.1710 13.3198 13.3198 13.7516 13.7516 13.7759 13.7759 13.8760 13.8760 13.9567 13.9567 14.1527 14.1527 16.9146 16.9146 18.0741 18.0741 18.9066 18.9066 20.6046 20.6046 k = 0.2171 0.3609 0.5835 ( 1692 PWs) bands (ev): 4.4226 4.4226 5.1312 5.1312 7.6267 7.6267 8.4738 8.4738 10.3378 10.3378 10.4185 10.4185 10.8168 10.8168 10.8411 10.8411 11.1395 11.1395 11.2904 11.2904 11.3618 11.3618 11.3902 11.3902 11.7352 11.7352 11.8409 11.8409 12.7221 12.7221 12.9685 12.9685 13.0102 13.0102 13.1570 13.1570 13.3579 13.3579 13.7448 13.7448 13.7780 13.7780 13.8371 13.8371 13.9652 13.9652 14.1310 14.1310 17.0012 17.0012 17.9683 17.9683 19.0440 19.0440 20.4712 20.4712 k = 0.2237 0.3719 0.5835 ( 1692 PWs) bands (ev): 4.4860 4.4860 5.0531 5.0531 7.7055 7.7055 8.3845 8.3845 10.3447 10.3447 10.4096 10.4096 10.8387 10.8387 10.8538 10.8538 11.1555 11.1555 11.3043 11.3043 11.3563 11.3563 11.3640 11.3640 11.7380 11.7380 11.8232 11.8232 12.7455 12.7455 12.9446 12.9446 13.0247 13.0247 13.1428 13.1428 13.3969 13.3969 13.7246 13.7246 13.7793 13.7793 13.8120 13.8120 13.9760 13.9760 14.1098 14.1098 17.0897 17.0897 17.8639 17.8639 19.1835 19.1835 20.3331 20.3331 k = 0.2303 0.3828 0.5835 ( 1692 PWs) bands (ev): 4.5510 4.5510 4.9765 4.9765 7.7858 7.7858 8.2959 8.2959 10.3519 10.3519 10.4008 10.4008 10.8556 10.8556 10.8644 10.8644 11.1735 11.1735 11.3169 11.3169 11.3272 11.3272 11.3610 11.3610 11.7424 11.7424 11.8067 11.8067 12.7696 12.7696 12.9200 12.9200 13.0394 13.0394 13.1283 13.1283 13.4371 13.4371 13.6901 13.6901 13.7808 13.7808 13.8007 13.8007 13.9887 13.9887 14.0892 14.0892 17.1802 17.1802 17.7611 17.7611 19.3251 19.3251 20.1917 20.1917 k = 0.2368 0.3937 0.5835 ( 1704 PWs) bands (ev): 4.6178 4.6178 4.9015 4.9015 7.8676 7.8676 8.2081 8.2081 10.3592 10.3592 10.3921 10.3921 10.8675 10.8675 10.8723 10.8723 11.1938 11.1938 11.2976 11.2976 11.3280 11.3280 11.3576 11.3576 11.7485 11.7485 11.7915 11.7915 12.7937 12.7937 12.8950 12.8950 13.0541 13.0541 13.1136 13.1136 13.4782 13.4782 13.6488 13.6488 13.7828 13.7828 13.7954 13.7954 14.0031 14.0031 14.0693 14.0693 17.2726 17.2726 17.6598 17.6598 19.4683 19.4683 20.0480 20.0480 k = 0.2434 0.4047 0.5835 ( 1704 PWs) bands (ev): 4.6863 4.6863 4.8281 4.8281 7.9509 7.9509 8.1213 8.1213 10.3670 10.3670 10.3837 10.3837 10.8748 10.8748 10.8772 10.8772 11.2165 11.2165 11.2692 11.2692 11.3376 11.3376 11.3529 11.3529 11.7565 11.7565 11.7782 11.7782 12.8187 12.8187 12.8698 12.8698 13.0689 13.0689 13.0988 13.0988 13.5204 13.5204 13.6057 13.6057 13.7855 13.7855 13.7920 13.7920 14.0190 14.0190 14.0501 14.0501 17.3669 17.3669 17.5602 17.5602 19.6126 19.6126 19.9032 19.9032 k = 0.2500 0.4156 0.5835 ( 1708 PWs) bands (ev): 4.7563 4.7563 4.7564 4.7564 8.0354 8.0354 8.0356 8.0356 10.3744 10.3744 10.3759 10.3759 10.8775 10.8775 10.8784 10.8784 11.2413 11.2413 11.2423 11.2423 11.3443 11.3443 11.3476 11.3476 11.7661 11.7661 11.7667 11.7667 12.8440 12.8440 12.8445 12.8445 13.0830 13.0830 13.0846 13.0846 13.5610 13.5610 13.5646 13.5646 13.7881 13.7881 13.7892 13.7892 14.0318 14.0318 14.0361 14.0361 17.4621 17.4621 17.4633 17.4633 19.7577 19.7577 19.7579 19.7579 Writing output data file Ni2B.save init_run : 0.31s CPU 0.68s WALL ( 1 calls) electrons : 271.01s CPU 272.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 271.00s CPU 272.96s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 401 calls) cegterg : 249.48s CPU 251.12s WALL ( 493 calls) Called by sum_band: Called by *egterg: h_psi : 143.51s CPU 148.76s WALL ( 9022 calls) s_psi : 17.17s CPU 17.31s WALL ( 9022 calls) g_psi : 0.14s CPU 0.24s WALL ( 8128 calls) cdiaghg : 85.87s CPU 83.19s WALL ( 8529 calls) cegterg:over : 10.05s CPU 8.45s WALL ( 8128 calls) cegterg:upda : 0.94s CPU 2.42s WALL ( 8128 calls) cegterg:last : 1.13s CPU 1.79s WALL ( 1745 calls) Called by h_psi: h_psi:vloc : 125.96s CPU 130.63s WALL ( 9022 calls) h_psi:vnl : 17.51s CPU 18.00s WALL ( 9022 calls) add_vuspsi : 8.31s CPU 10.63s WALL ( 9022 calls) General routines calbec : 9.19s CPU 7.35s WALL ( 9022 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 120.90s CPU 124.66s WALL ( 1326100 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.01s CPU 0.11s WALL ( 802 calls) Parallel routines fft_scatter : 75.29s CPU 75.46s WALL ( 1326123 calls) PWSCF : 4m52.49s CPU 5m13.65s WALL This run was terminated on: 15:21:49 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=