Program PWSCF v.5.1.1 starts on 29Jun2015 at 10:59:44 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./TaAs.save/ 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 44 29 8 703 376 63 Max 46 30 9 704 391 65 Sum 2119 1425 427 33789 18307 3105 bravais-lattice index = 14 lattice parameter (alat) = 11.9325 a.u. unit-cell volume = 464.5956 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.932549 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.851864 celldm(5)= -0.851864 celldm(6)= 0.703728 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.703728 0.710469 0.000000 ) a(3) = ( -0.851864 -0.355235 0.384884 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.990512 1.299092 ) b(2) = ( 0.000000 1.407520 1.299092 ) b(3) = ( 0.000000 0.000000 2.598184 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ta 13.00 180.94790 Ta( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.3518641 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.3552346 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.1924421 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 393 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 2) = ( 0.0000000 0.0000000 0.0199860), wk = 0.0025445 k( 3) = ( 0.0000000 0.0000000 0.0399721), wk = 0.0025445 k( 4) = ( 0.0000000 0.0000000 0.0599581), wk = 0.0025445 k( 5) = ( 0.0000000 0.0000000 0.0799441), wk = 0.0025445 k( 6) = ( 0.0000000 0.0000000 0.0999301), wk = 0.0025445 k( 7) = ( 0.0000000 0.0000000 0.1199162), wk = 0.0025445 k( 8) = ( 0.0000000 0.0000000 0.1399022), wk = 0.0025445 k( 9) = ( 0.0000000 0.0000000 0.1598882), wk = 0.0025445 k( 10) = ( 0.0000000 0.0000000 0.1798743), wk = 0.0025445 k( 11) = ( 0.0000000 0.0000000 0.1998603), wk = 0.0025445 k( 12) = ( 0.0000000 0.0000000 0.2198463), wk = 0.0025445 k( 13) = ( 0.0000000 0.0000000 0.2398323), wk = 0.0025445 k( 14) = ( 0.0000000 0.0000000 0.2598184), wk = 0.0025445 k( 15) = ( 0.0000000 0.0000000 0.2798044), wk = 0.0025445 k( 16) = ( 0.0000000 0.0000000 0.2997904), wk = 0.0025445 k( 17) = ( 0.0000000 0.0000000 0.3197764), wk = 0.0025445 k( 18) = ( 0.0000000 0.0000000 0.3397625), wk = 0.0025445 k( 19) = ( 0.0000000 0.0000000 0.3597485), wk = 0.0025445 k( 20) = ( 0.0000000 0.0000000 0.3797345), wk = 0.0025445 k( 21) = ( 0.0000000 0.0000000 0.3997206), wk = 0.0025445 k( 22) = ( 0.0000000 0.0000000 0.4197066), wk = 0.0025445 k( 23) = ( 0.0000000 0.0000000 0.4396926), wk = 0.0025445 k( 24) = ( 0.0000000 0.0000000 0.4596787), wk = 0.0025445 k( 25) = ( 0.0000000 0.0000000 0.4796647), wk = 0.0025445 k( 26) = ( 0.0000000 0.0000000 0.4996507), wk = 0.0025445 k( 27) = ( 0.0000000 0.0000000 0.5196367), wk = 0.0025445 k( 28) = ( 0.0000000 0.0000000 0.5396228), wk = 0.0025445 k( 29) = ( 0.0000000 0.0000000 0.5596088), wk = 0.0025445 k( 30) = ( 0.0000000 0.0000000 0.5795948), wk = 0.0025445 k( 31) = ( 0.0000000 0.0000000 0.5995808), wk = 0.0025445 k( 32) = ( 0.0000000 0.0000000 0.6195669), wk = 0.0025445 k( 33) = ( 0.0000000 0.0000000 0.6395529), wk = 0.0025445 k( 34) = ( 0.0000000 0.0000000 0.6595389), wk = 0.0025445 k( 35) = ( 0.0000000 0.0000000 0.6795250), wk = 0.0025445 k( 36) = ( 0.0000000 0.0000000 0.6995110), wk = 0.0025445 k( 37) = ( 0.0000000 0.0000000 0.7194970), wk = 0.0025445 k( 38) = ( 0.0000000 0.0000000 0.7394830), wk = 0.0025445 k( 39) = ( 0.0000000 0.0000000 0.7594691), wk = 0.0025445 k( 40) = ( 0.0000000 0.0000000 0.7794551), wk = 0.0025445 k( 41) = ( 0.0000000 0.0000000 0.7994411), wk = 0.0025445 k( 42) = ( 0.0000000 0.0000000 0.8194272), wk = 0.0025445 k( 43) = ( 0.0000000 0.0000000 0.8394132), wk = 0.0025445 k( 44) = ( 0.0000000 0.0000000 0.8593992), wk = 0.0025445 k( 45) = ( 0.0000000 0.0000000 0.8793852), wk = 0.0025445 k( 46) = ( 0.0000000 0.0000000 0.8993713), wk = 0.0025445 k( 47) = ( 0.0000000 0.0000000 0.9193573), wk = 0.0025445 k( 48) = ( 0.0000000 0.0000000 0.9393433), wk = 0.0025445 k( 49) = ( 0.0000000 0.0000000 0.9593294), wk = 0.0025445 k( 50) = ( 0.0000000 0.0000000 0.9793154), wk = 0.0025445 k( 51) = ( 0.0000000 0.0000000 0.9993014), wk = 0.0025445 k( 52) = ( 0.0000000 0.0000000 1.0192874), wk = 0.0025445 k( 53) = ( 0.0000000 0.0000000 1.0392735), wk = 0.0025445 k( 54) = ( 0.0000000 0.0000000 1.0592595), wk = 0.0025445 k( 55) = ( 0.0000000 0.0000000 1.0792455), wk = 0.0025445 k( 56) = ( 0.0000000 0.0000000 1.0992315), wk = 0.0025445 k( 57) = ( 0.0000000 0.0000000 1.1192176), wk = 0.0025445 k( 58) = ( 0.0000000 0.0000000 1.1392036), wk = 0.0025445 k( 59) = ( 0.0000000 0.0000000 1.1591896), wk = 0.0025445 k( 60) = ( 0.0000000 0.0000000 1.1791757), wk = 0.0025445 k( 61) = ( 0.0000000 0.0000000 1.1991617), wk = 0.0025445 k( 62) = ( 0.0000000 0.0000000 1.2191477), wk = 0.0025445 k( 63) = ( 0.0000000 0.0000000 1.2391338), wk = 0.0025445 k( 64) = ( 0.0000000 0.0000000 1.2591198), wk = 0.0025445 k( 65) = ( 0.0000000 0.0000000 1.2791058), wk = 0.0025445 k( 66) = ( 0.0000000 0.0000000 1.2990918), wk = 0.0025445 k( 67) = ( 0.0000000 0.0000000 1.2990918), wk = 0.0025445 k( 68) = ( -0.0072457 0.0173753 1.2990918), wk = 0.0025445 k( 69) = ( -0.0144914 0.0347507 1.2990918), wk = 0.0025445 k( 70) = ( -0.0217370 0.0521261 1.2990918), wk = 0.0025445 k( 71) = ( -0.0289827 0.0695014 1.2990918), wk = 0.0025445 k( 72) = ( -0.0362284 0.0868768 1.2990918), wk = 0.0025445 k( 73) = ( -0.0434740 0.1042521 1.2990918), wk = 0.0025445 k( 74) = ( -0.0434740 0.1042521 1.2990918), wk = 0.0025445 k( 75) = ( -0.0489089 0.1172850 1.2849711), wk = 0.0025445 k( 76) = ( -0.0543437 0.1303179 1.2708504), wk = 0.0025445 k( 77) = ( -0.0597785 0.1433509 1.2567298), wk = 0.0025445 k( 78) = ( -0.0652134 0.1563838 1.2426091), wk = 0.0025445 k( 79) = ( -0.0706482 0.1694167 1.2284884), wk = 0.0025445 k( 80) = ( -0.0760830 0.1824496 1.2143677), wk = 0.0025445 k( 81) = ( -0.0815179 0.1954825 1.2002470), wk = 0.0025445 k( 82) = ( -0.0869527 0.2085154 1.1861263), wk = 0.0025445 k( 83) = ( -0.0923875 0.2215483 1.1720056), wk = 0.0025445 k( 84) = ( -0.0978224 0.2345812 1.1578849), wk = 0.0025445 k( 85) = ( -0.1032572 0.2476141 1.1437642), wk = 0.0025445 k( 86) = ( -0.1086920 0.2606470 1.1296435), wk = 0.0025445 k( 87) = ( -0.1141269 0.2736799 1.1155228), wk = 0.0025445 k( 88) = ( -0.1195617 0.2867128 1.1014021), wk = 0.0025445 k( 89) = ( -0.1249965 0.2997457 1.0872814), wk = 0.0025445 k( 90) = ( -0.1304314 0.3127786 1.0731607), wk = 0.0025445 k( 91) = ( -0.1358662 0.3258115 1.0590400), wk = 0.0025445 k( 92) = ( -0.1413010 0.3388444 1.0449193), wk = 0.0025445 k( 93) = ( -0.1467359 0.3518773 1.0307987), wk = 0.0025445 k( 94) = ( -0.1521707 0.3649102 1.0166779), wk = 0.0025445 k( 95) = ( -0.1576055 0.3779431 1.0025573), wk = 0.0025445 k( 96) = ( -0.1630404 0.3909760 0.9884366), wk = 0.0025445 k( 97) = ( -0.1684752 0.4040090 0.9743159), wk = 0.0025445 k( 98) = ( -0.1739100 0.4170419 0.9601952), wk = 0.0025445 k( 99) = ( -0.1793449 0.4300747 0.9460745), wk = 0.0025445 k( 100) = ( -0.1847797 0.4431076 0.9319538), wk = 0.0025445 k( 101) = ( -0.1902145 0.4561406 0.9178331), wk = 0.0025445 k( 102) = ( -0.1956494 0.4691735 0.9037124), wk = 0.0025445 k( 103) = ( -0.2010842 0.4822064 0.8895917), wk = 0.0025445 k( 104) = ( -0.2065190 0.4952393 0.8754710), wk = 0.0025445 k( 105) = ( -0.2119539 0.5082722 0.8613503), wk = 0.0025445 k( 106) = ( -0.2173887 0.5213051 0.8472296), wk = 0.0025445 k( 107) = ( -0.2228235 0.5343380 0.8331089), wk = 0.0025445 k( 108) = ( -0.2282584 0.5473709 0.8189882), wk = 0.0025445 k( 109) = ( -0.2336932 0.5604038 0.8048675), wk = 0.0025445 k( 110) = ( -0.2391280 0.5734367 0.7907469), wk = 0.0025445 k( 111) = ( -0.2445629 0.5864696 0.7766261), wk = 0.0025445 k( 112) = ( -0.2499977 0.5995025 0.7625055), wk = 0.0025445 k( 113) = ( -0.2554325 0.6125354 0.7483848), wk = 0.0025445 k( 114) = ( -0.2608673 0.6255683 0.7342641), wk = 0.0025445 k( 115) = ( -0.2663022 0.6386012 0.7201434), wk = 0.0025445 k( 116) = ( -0.2717370 0.6516341 0.7060227), wk = 0.0025445 k( 117) = ( -0.2717370 0.6516341 0.7060227), wk = 0.0025445 k( 118) = ( -0.2663023 0.6386014 0.6919022), wk = 0.0025445 k( 119) = ( -0.2608675 0.6255688 0.6777818), wk = 0.0025445 k( 120) = ( -0.2554328 0.6125361 0.6636613), wk = 0.0025445 k( 121) = ( -0.2499981 0.5995034 0.6495409), wk = 0.0025445 k( 122) = ( -0.2445633 0.5864707 0.6354204), wk = 0.0025445 k( 123) = ( -0.2391286 0.5734380 0.6213000), wk = 0.0025445 k( 124) = ( -0.2336938 0.5604054 0.6071795), wk = 0.0025445 k( 125) = ( -0.2282591 0.5473727 0.5930591), wk = 0.0025445 k( 126) = ( -0.2228244 0.5343400 0.5789386), wk = 0.0025445 k( 127) = ( -0.2173896 0.5213073 0.5648182), wk = 0.0025445 k( 128) = ( -0.2119549 0.5082746 0.5506977), wk = 0.0025445 k( 129) = ( -0.2065201 0.4952419 0.5365772), wk = 0.0025445 k( 130) = ( -0.2010854 0.4822092 0.5224568), wk = 0.0025445 k( 131) = ( -0.1956507 0.4691766 0.5083363), wk = 0.0025445 k( 132) = ( -0.1902159 0.4561439 0.4942159), wk = 0.0025445 k( 133) = ( -0.1847812 0.4431112 0.4800954), wk = 0.0025445 k( 134) = ( -0.1793464 0.4300785 0.4659750), wk = 0.0025445 k( 135) = ( -0.1739117 0.4170458 0.4518545), wk = 0.0025445 k( 136) = ( -0.1684769 0.4040131 0.4377341), wk = 0.0025445 k( 137) = ( -0.1630422 0.3909805 0.4236136), wk = 0.0025445 k( 138) = ( -0.1576075 0.3779478 0.4094932), wk = 0.0025445 k( 139) = ( -0.1521727 0.3649151 0.3953727), wk = 0.0025445 k( 140) = ( -0.1467380 0.3518824 0.3812522), wk = 0.0025445 k( 141) = ( -0.1413032 0.3388497 0.3671318), wk = 0.0025445 k( 142) = ( -0.1358685 0.3258171 0.3530113), wk = 0.0025445 k( 143) = ( -0.1304338 0.3127844 0.3388909), wk = 0.0025445 k( 144) = ( -0.1249990 0.2997517 0.3247704), wk = 0.0025445 k( 145) = ( -0.1195643 0.2867190 0.3106500), wk = 0.0025445 k( 146) = ( -0.1141295 0.2736863 0.2965295), wk = 0.0025445 k( 147) = ( -0.1086948 0.2606537 0.2824091), wk = 0.0025445 k( 148) = ( -0.1032601 0.2476210 0.2682886), wk = 0.0025445 k( 149) = ( -0.0978253 0.2345883 0.2541682), wk = 0.0025445 k( 150) = ( -0.0923906 0.2215556 0.2400477), wk = 0.0025445 k( 151) = ( -0.0869559 0.2085229 0.2259273), wk = 0.0025445 k( 152) = ( -0.0815211 0.1954902 0.2118068), wk = 0.0025445 k( 153) = ( -0.0760864 0.1824576 0.1976864), wk = 0.0025445 k( 154) = ( -0.0706516 0.1694249 0.1835659), wk = 0.0025445 k( 155) = ( -0.0652169 0.1563922 0.1694454), wk = 0.0025445 k( 156) = ( -0.0597821 0.1433595 0.1553250), wk = 0.0025445 k( 157) = ( -0.0543474 0.1303268 0.1412045), wk = 0.0025445 k( 158) = ( -0.0489127 0.1172941 0.1270841), wk = 0.0025445 k( 159) = ( -0.0434779 0.1042615 0.1129636), wk = 0.0025445 k( 160) = ( -0.0380432 0.0912288 0.0988432), wk = 0.0025445 k( 161) = ( -0.0326084 0.0781961 0.0847227), wk = 0.0025445 k( 162) = ( -0.0271737 0.0651634 0.0706023), wk = 0.0025445 k( 163) = ( -0.0217390 0.0521307 0.0564818), wk = 0.0025445 k( 164) = ( -0.0163042 0.0390980 0.0423614), wk = 0.0025445 k( 165) = ( -0.0108695 0.0260654 0.0282409), wk = 0.0025445 k( 166) = ( -0.0054347 0.0130327 0.0141205), wk = 0.0025445 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 169) = ( 0.0185185 0.0077224 -0.0000000), wk = 0.0025445 k( 170) = ( 0.0370370 0.0154448 -0.0000000), wk = 0.0025445 k( 171) = ( 0.0555556 0.0231671 -0.0000000), wk = 0.0025445 k( 172) = ( 0.0740741 0.0308895 -0.0000000), wk = 0.0025445 k( 173) = ( 0.0925926 0.0386119 -0.0000000), wk = 0.0025445 k( 174) = ( 0.1111111 0.0463343 -0.0000000), wk = 0.0025445 k( 175) = ( 0.1296296 0.0540567 -0.0000000), wk = 0.0025445 k( 176) = ( 0.1481482 0.0617790 -0.0000000), wk = 0.0025445 k( 177) = ( 0.1666667 0.0695014 -0.0000000), wk = 0.0025445 k( 178) = ( 0.1851852 0.0772238 -0.0000000), wk = 0.0025445 k( 179) = ( 0.2037037 0.0849462 -0.0000000), wk = 0.0025445 k( 180) = ( 0.2222222 0.0926686 -0.0000000), wk = 0.0025445 k( 181) = ( 0.2407407 0.1003910 -0.0000000), wk = 0.0025445 k( 182) = ( 0.2592593 0.1081133 -0.0000000), wk = 0.0025445 k( 183) = ( 0.2777778 0.1158357 -0.0000000), wk = 0.0025445 k( 184) = ( 0.2962963 0.1235581 -0.0000000), wk = 0.0025445 k( 185) = ( 0.3148148 0.1312805 -0.0000000), wk = 0.0025445 k( 186) = ( 0.3333333 0.1390029 -0.0000000), wk = 0.0025445 k( 187) = ( 0.3518519 0.1467252 -0.0000000), wk = 0.0025445 k( 188) = ( 0.3703704 0.1544476 -0.0000000), wk = 0.0025445 k( 189) = ( 0.3888889 0.1621700 -0.0000000), wk = 0.0025445 k( 190) = ( 0.4074074 0.1698924 -0.0000000), wk = 0.0025445 k( 191) = ( 0.4259259 0.1776148 -0.0000000), wk = 0.0025445 k( 192) = ( 0.4444444 0.1853371 -0.0000000), wk = 0.0025445 k( 193) = ( 0.4629630 0.1930595 -0.0000000), wk = 0.0025445 k( 194) = ( 0.4814815 0.2007819 -0.0000000), wk = 0.0025445 k( 195) = ( 0.5000000 0.2085043 -0.0000000), wk = 0.0025445 k( 196) = ( 0.5000000 0.2085043 -0.0000000), wk = 0.0025445 k( 197) = ( 0.4945652 0.2215372 0.0141207), wk = 0.0025445 k( 198) = ( 0.4891303 0.2345701 0.0282414), wk = 0.0025445 k( 199) = ( 0.4836955 0.2476030 0.0423621), wk = 0.0025445 k( 200) = ( 0.4782607 0.2606359 0.0564828), wk = 0.0025445 k( 201) = ( 0.4728258 0.2736688 0.0706035), wk = 0.0025445 k( 202) = ( 0.4673910 0.2867017 0.0847242), wk = 0.0025445 k( 203) = ( 0.4619562 0.2997346 0.0988449), wk = 0.0025445 k( 204) = ( 0.4565213 0.3127675 0.1129655), wk = 0.0025445 k( 205) = ( 0.4510865 0.3258004 0.1270863), wk = 0.0025445 k( 206) = ( 0.4456517 0.3388333 0.1412069), wk = 0.0025445 k( 207) = ( 0.4402168 0.3518662 0.1553276), wk = 0.0025445 k( 208) = ( 0.4347820 0.3648991 0.1694483), wk = 0.0025445 k( 209) = ( 0.4293472 0.3779321 0.1835690), wk = 0.0025445 k( 210) = ( 0.4239123 0.3909649 0.1976897), wk = 0.0025445 k( 211) = ( 0.4184775 0.4039978 0.2118104), wk = 0.0025445 k( 212) = ( 0.4130427 0.4170308 0.2259311), wk = 0.0025445 k( 213) = ( 0.4076078 0.4300637 0.2400518), wk = 0.0025445 k( 214) = ( 0.4021730 0.4430966 0.2541725), wk = 0.0025445 k( 215) = ( 0.3967382 0.4561295 0.2682932), wk = 0.0025445 k( 216) = ( 0.3913033 0.4691624 0.2824139), wk = 0.0025445 k( 217) = ( 0.3858685 0.4821953 0.2965346), wk = 0.0025445 k( 218) = ( 0.3804337 0.4952282 0.3106553), wk = 0.0025445 k( 219) = ( 0.3749988 0.5082611 0.3247760), wk = 0.0025445 k( 220) = ( 0.3695640 0.5212940 0.3388967), wk = 0.0025445 k( 221) = ( 0.3641292 0.5343269 0.3530173), wk = 0.0025445 k( 222) = ( 0.3586943 0.5473598 0.3671380), wk = 0.0025445 k( 223) = ( 0.3532595 0.5603927 0.3812587), wk = 0.0025445 k( 224) = ( 0.3478247 0.5734256 0.3953794), wk = 0.0025445 k( 225) = ( 0.3423898 0.5864585 0.4095001), wk = 0.0025445 k( 226) = ( 0.3369550 0.5994914 0.4236208), wk = 0.0025445 k( 227) = ( 0.3315202 0.6125243 0.4377415), wk = 0.0025445 k( 228) = ( 0.3260853 0.6255572 0.4518622), wk = 0.0025445 k( 229) = ( 0.3206505 0.6385901 0.4659829), wk = 0.0025445 k( 230) = ( 0.3152157 0.6516230 0.4801036), wk = 0.0025445 k( 231) = ( 0.3097808 0.6646559 0.4942243), wk = 0.0025445 k( 232) = ( 0.3043460 0.6776888 0.5083450), wk = 0.0025445 k( 233) = ( 0.2989112 0.6907218 0.5224657), wk = 0.0025445 k( 234) = ( 0.2934763 0.7037547 0.5365864), wk = 0.0025445 k( 235) = ( 0.2880415 0.7167875 0.5507071), wk = 0.0025445 k( 236) = ( 0.2826067 0.7298204 0.5648277), wk = 0.0025445 k( 237) = ( 0.2771718 0.7428534 0.5789485), wk = 0.0025445 k( 238) = ( 0.2717370 0.7558863 0.5930691), wk = 0.0025445 k( 239) = ( 0.2717370 0.7558863 0.5930691), wk = 0.0025445 k( 240) = ( 0.2536212 0.7524112 0.5968343), wk = 0.0025445 k( 241) = ( 0.2355054 0.7489361 0.6005994), wk = 0.0025445 k( 242) = ( 0.2173896 0.7454610 0.6043645), wk = 0.0025445 k( 243) = ( 0.1992738 0.7419860 0.6081296), wk = 0.0025445 k( 244) = ( 0.1811580 0.7385109 0.6118947), wk = 0.0025445 k( 245) = ( 0.1630422 0.7350358 0.6156599), wk = 0.0025445 k( 246) = ( 0.1449264 0.7315608 0.6194250), wk = 0.0025445 k( 247) = ( 0.1268106 0.7280857 0.6231901), wk = 0.0025445 k( 248) = ( 0.1086948 0.7246106 0.6269552), wk = 0.0025445 k( 249) = ( 0.0905790 0.7211355 0.6307203), wk = 0.0025445 k( 250) = ( 0.0724632 0.7176605 0.6344854), wk = 0.0025445 k( 251) = ( 0.0543474 0.7141854 0.6382506), wk = 0.0025445 k( 252) = ( 0.0362316 0.7107103 0.6420157), wk = 0.0025445 k( 253) = ( 0.0181158 0.7072353 0.6457808), wk = 0.0025445 k( 254) = ( 0.0000000 0.7037602 0.6495459), wk = 0.0025445 k( 255) = ( 0.0000000 0.7037602 0.6495459), wk = 0.0025445 k( 256) = ( 0.0054348 0.6907274 0.6636665), wk = 0.0025445 k( 257) = ( 0.0108696 0.6776946 0.6777871), wk = 0.0025445 k( 258) = ( 0.0163043 0.6646618 0.6919076), wk = 0.0025445 k( 259) = ( 0.0217391 0.6516291 0.7060282), wk = 0.0025445 k( 260) = ( 0.0271739 0.6385963 0.7201487), wk = 0.0025445 k( 261) = ( 0.0326087 0.6255635 0.7342693), wk = 0.0025445 k( 262) = ( 0.0380435 0.6125307 0.7483899), wk = 0.0025445 k( 263) = ( 0.0434783 0.5994979 0.7625104), wk = 0.0025445 k( 264) = ( 0.0489130 0.5864651 0.7766310), wk = 0.0025445 k( 265) = ( 0.0543478 0.5734323 0.7907516), wk = 0.0025445 k( 266) = ( 0.0597826 0.5603996 0.8048721), wk = 0.0025445 k( 267) = ( 0.0652174 0.5473668 0.8189927), wk = 0.0025445 k( 268) = ( 0.0706522 0.5343340 0.8331132), wk = 0.0025445 k( 269) = ( 0.0760870 0.5213012 0.8472338), wk = 0.0025445 k( 270) = ( 0.0815217 0.5082684 0.8613544), wk = 0.0025445 k( 271) = ( 0.0869565 0.4952357 0.8754749), wk = 0.0025445 k( 272) = ( 0.0923913 0.4822029 0.8895955), wk = 0.0025445 k( 273) = ( 0.0978261 0.4691701 0.9037161), wk = 0.0025445 k( 274) = ( 0.1032609 0.4561373 0.9178366), wk = 0.0025445 k( 275) = ( 0.1086957 0.4431045 0.9319572), wk = 0.0025445 k( 276) = ( 0.1141304 0.4300717 0.9460777), wk = 0.0025445 k( 277) = ( 0.1195652 0.4170389 0.9601983), wk = 0.0025445 k( 278) = ( 0.1250000 0.4040062 0.9743189), wk = 0.0025445 k( 279) = ( 0.1304348 0.3909734 0.9884394), wk = 0.0025445 k( 280) = ( 0.1358696 0.3779406 1.0025600), wk = 0.0025445 k( 281) = ( 0.1413043 0.3649078 1.0166806), wk = 0.0025445 k( 282) = ( 0.1467391 0.3518750 1.0308011), wk = 0.0025445 k( 283) = ( 0.1521739 0.3388423 1.0449217), wk = 0.0025445 k( 284) = ( 0.1576087 0.3258095 1.0590423), wk = 0.0025445 k( 285) = ( 0.1630435 0.3127767 1.0731628), wk = 0.0025445 k( 286) = ( 0.1684783 0.2997439 1.0872834), wk = 0.0025445 k( 287) = ( 0.1739130 0.2867111 1.1014039), wk = 0.0025445 k( 288) = ( 0.1793478 0.2736783 1.1155245), wk = 0.0025445 k( 289) = ( 0.1847826 0.2606455 1.1296451), wk = 0.0025445 k( 290) = ( 0.1902174 0.2476128 1.1437656), wk = 0.0025445 k( 291) = ( 0.1956522 0.2345800 1.1578862), wk = 0.0025445 k( 292) = ( 0.2010870 0.2215472 1.1720068), wk = 0.0025445 k( 293) = ( 0.2065217 0.2085144 1.1861273), wk = 0.0025445 k( 294) = ( 0.2119565 0.1954816 1.2002479), wk = 0.0025445 k( 295) = ( 0.2173913 0.1824489 1.2143684), wk = 0.0025445 k( 296) = ( 0.2228261 0.1694161 1.2284890), wk = 0.0025445 k( 297) = ( 0.2282609 0.1563833 1.2426096), wk = 0.0025445 k( 298) = ( 0.2336957 0.1433505 1.2567301), wk = 0.0025445 k( 299) = ( 0.2391304 0.1303177 1.2708507), wk = 0.0025445 k( 300) = ( 0.2445652 0.1172849 1.2849713), wk = 0.0025445 k( 301) = ( 0.2500000 0.1042521 1.2990918), wk = 0.0025445 k( 302) = ( 0.2500000 0.1042521 1.2990918), wk = 0.0025445 k( 303) = ( 0.2666667 0.1112023 1.2915616), wk = 0.0025445 k( 304) = ( 0.2833333 0.1181524 1.2840314), wk = 0.0025445 k( 305) = ( 0.3000000 0.1251026 1.2765011), wk = 0.0025445 k( 306) = ( 0.3166667 0.1320527 1.2689709), wk = 0.0025445 k( 307) = ( 0.3333333 0.1390029 1.2614406), wk = 0.0025445 k( 308) = ( 0.3500000 0.1459530 1.2539104), wk = 0.0025445 k( 309) = ( 0.3666667 0.1529031 1.2463802), wk = 0.0025445 k( 310) = ( 0.3833333 0.1598533 1.2388499), wk = 0.0025445 k( 311) = ( 0.4000000 0.1668034 1.2313197), wk = 0.0025445 k( 312) = ( 0.4166667 0.1737536 1.2237895), wk = 0.0025445 k( 313) = ( 0.4333333 0.1807037 1.2162592), wk = 0.0025445 k( 314) = ( 0.4500000 0.1876539 1.2087290), wk = 0.0025445 k( 315) = ( 0.4666667 0.1946040 1.2011988), wk = 0.0025445 k( 316) = ( 0.4833333 0.2015541 1.1936685), wk = 0.0025445 k( 317) = ( 0.5000000 0.2085043 1.1861383), wk = 0.0025445 k( 318) = ( 0.5000000 0.2085043 1.1861383), wk = 0.0025445 k( 319) = ( 0.5000000 0.2085043 1.1663693), wk = 0.0025445 k( 320) = ( 0.5000000 0.2085043 1.1466004), wk = 0.0025445 k( 321) = ( 0.5000000 0.2085043 1.1268314), wk = 0.0025445 k( 322) = ( 0.5000000 0.2085043 1.1070624), wk = 0.0025445 k( 323) = ( 0.5000000 0.2085043 1.0872934), wk = 0.0025445 k( 324) = ( 0.5000000 0.2085043 1.0675245), wk = 0.0025445 k( 325) = ( 0.5000000 0.2085043 1.0477555), wk = 0.0025445 k( 326) = ( 0.5000000 0.2085043 1.0279865), wk = 0.0025445 k( 327) = ( 0.5000000 0.2085043 1.0082176), wk = 0.0025445 k( 328) = ( 0.5000000 0.2085043 0.9884486), wk = 0.0025445 k( 329) = ( 0.5000000 0.2085043 0.9686796), wk = 0.0025445 k( 330) = ( 0.5000000 0.2085043 0.9489106), wk = 0.0025445 k( 331) = ( 0.5000000 0.2085043 0.9291417), wk = 0.0025445 k( 332) = ( 0.5000000 0.2085043 0.9093727), wk = 0.0025445 k( 333) = ( 0.5000000 0.2085043 0.8896037), wk = 0.0025445 k( 334) = ( 0.5000000 0.2085043 0.8698347), wk = 0.0025445 k( 335) = ( 0.5000000 0.2085043 0.8500658), wk = 0.0025445 k( 336) = ( 0.5000000 0.2085043 0.8302968), wk = 0.0025445 k( 337) = ( 0.5000000 0.2085043 0.8105278), wk = 0.0025445 k( 338) = ( 0.5000000 0.2085043 0.7907589), wk = 0.0025445 k( 339) = ( 0.5000000 0.2085043 0.7709899), wk = 0.0025445 k( 340) = ( 0.5000000 0.2085043 0.7512209), wk = 0.0025445 k( 341) = ( 0.5000000 0.2085043 0.7314519), wk = 0.0025445 k( 342) = ( 0.5000000 0.2085043 0.7116830), wk = 0.0025445 k( 343) = ( 0.5000000 0.2085043 0.6919140), wk = 0.0025445 k( 344) = ( 0.5000000 0.2085043 0.6721450), wk = 0.0025445 k( 345) = ( 0.5000000 0.2085043 0.6523761), wk = 0.0025445 k( 346) = ( 0.5000000 0.2085043 0.6326071), wk = 0.0025445 k( 347) = ( 0.5000000 0.2085043 0.6128381), wk = 0.0025445 k( 348) = ( 0.5000000 0.2085043 0.5930691), wk = 0.0025445 k( 349) = ( 0.5000000 0.2085043 0.5733002), wk = 0.0025445 k( 350) = ( 0.5000000 0.2085043 0.5535312), wk = 0.0025445 k( 351) = ( 0.5000000 0.2085043 0.5337622), wk = 0.0025445 k( 352) = ( 0.5000000 0.2085043 0.5139933), wk = 0.0025445 k( 353) = ( 0.5000000 0.2085043 0.4942243), wk = 0.0025445 k( 354) = ( 0.5000000 0.2085043 0.4744553), wk = 0.0025445 k( 355) = ( 0.5000000 0.2085043 0.4546864), wk = 0.0025445 k( 356) = ( 0.5000000 0.2085043 0.4349174), wk = 0.0025445 k( 357) = ( 0.5000000 0.2085043 0.4151484), wk = 0.0025445 k( 358) = ( 0.5000000 0.2085043 0.3953794), wk = 0.0025445 k( 359) = ( 0.5000000 0.2085043 0.3756104), wk = 0.0025445 k( 360) = ( 0.5000000 0.2085043 0.3558415), wk = 0.0025445 k( 361) = ( 0.5000000 0.2085043 0.3360725), wk = 0.0025445 k( 362) = ( 0.5000000 0.2085043 0.3163036), wk = 0.0025445 k( 363) = ( 0.5000000 0.2085043 0.2965346), wk = 0.0025445 k( 364) = ( 0.5000000 0.2085043 0.2767656), wk = 0.0025445 k( 365) = ( 0.5000000 0.2085043 0.2569966), wk = 0.0025445 k( 366) = ( 0.5000000 0.2085043 0.2372277), wk = 0.0025445 k( 367) = ( 0.5000000 0.2085043 0.2174587), wk = 0.0025445 k( 368) = ( 0.5000000 0.2085043 0.1976897), wk = 0.0025445 k( 369) = ( 0.5000000 0.2085043 0.1779207), wk = 0.0025445 k( 370) = ( 0.5000000 0.2085043 0.1581518), wk = 0.0025445 k( 371) = ( 0.5000000 0.2085043 0.1383828), wk = 0.0025445 k( 372) = ( 0.5000000 0.2085043 0.1186138), wk = 0.0025445 k( 373) = ( 0.5000000 0.2085043 0.0988449), wk = 0.0025445 k( 374) = ( 0.5000000 0.2085043 0.0790759), wk = 0.0025445 k( 375) = ( 0.5000000 0.2085043 0.0593069), wk = 0.0025445 k( 376) = ( 0.5000000 0.2085043 0.0395379), wk = 0.0025445 k( 377) = ( 0.5000000 0.2085043 0.0197690), wk = 0.0025445 k( 378) = ( 0.5000000 0.2085043 -0.0000000), wk = 0.0025445 k( 379) = ( 0.0000000 0.0000000 1.2990918), wk = 0.0025445 k( 380) = ( 0.0178571 0.0074466 1.2990918), wk = 0.0025445 k( 381) = ( 0.0357143 0.0148932 1.2990918), wk = 0.0025445 k( 382) = ( 0.0535714 0.0223397 1.2990918), wk = 0.0025445 k( 383) = ( 0.0714286 0.0297863 1.2990918), wk = 0.0025445 k( 384) = ( 0.0892857 0.0372329 1.2990918), wk = 0.0025445 k( 385) = ( 0.1071429 0.0446795 1.2990918), wk = 0.0025445 k( 386) = ( 0.1250000 0.0521261 1.2990918), wk = 0.0025445 k( 387) = ( 0.1428571 0.0595727 1.2990918), wk = 0.0025445 k( 388) = ( 0.1607143 0.0670192 1.2990918), wk = 0.0025445 k( 389) = ( 0.1785714 0.0744658 1.2990918), wk = 0.0025445 k( 390) = ( 0.1964286 0.0819124 1.2990918), wk = 0.0025445 k( 391) = ( 0.2142857 0.0893590 1.2990918), wk = 0.0025445 k( 392) = ( 0.2321429 0.0968056 1.2990918), wk = 0.0025445 k( 393) = ( 0.2500000 0.1042521 1.2990918), wk = 0.0025445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 2) = ( 0.0000000 0.0000000 0.0076923), wk = 0.0025445 k( 3) = ( 0.0000000 0.0000000 0.0153846), wk = 0.0025445 k( 4) = ( 0.0000000 0.0000000 0.0230769), wk = 0.0025445 k( 5) = ( 0.0000000 0.0000000 0.0307692), wk = 0.0025445 k( 6) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025445 k( 7) = ( 0.0000000 0.0000000 0.0461539), wk = 0.0025445 k( 8) = ( 0.0000000 0.0000000 0.0538462), wk = 0.0025445 k( 9) = ( 0.0000000 0.0000000 0.0615385), wk = 0.0025445 k( 10) = ( 0.0000000 0.0000000 0.0692308), wk = 0.0025445 k( 11) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025445 k( 12) = ( 0.0000000 0.0000000 0.0846154), wk = 0.0025445 k( 13) = ( 0.0000000 0.0000000 0.0923077), wk = 0.0025445 k( 14) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025445 k( 15) = ( 0.0000000 0.0000000 0.1076923), wk = 0.0025445 k( 16) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025445 k( 17) = ( 0.0000000 0.0000000 0.1230769), wk = 0.0025445 k( 18) = ( 0.0000000 0.0000000 0.1307692), wk = 0.0025445 k( 19) = ( 0.0000000 0.0000000 0.1384615), wk = 0.0025445 k( 20) = ( 0.0000000 0.0000000 0.1461539), wk = 0.0025445 k( 21) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0025445 k( 22) = ( 0.0000000 0.0000000 0.1615385), wk = 0.0025445 k( 23) = ( 0.0000000 0.0000000 0.1692308), wk = 0.0025445 k( 24) = ( 0.0000000 0.0000000 0.1769231), wk = 0.0025445 k( 25) = ( 0.0000000 0.0000000 0.1846154), wk = 0.0025445 k( 26) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025445 k( 27) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025445 k( 28) = ( 0.0000000 0.0000000 0.2076923), wk = 0.0025445 k( 29) = ( 0.0000000 0.0000000 0.2153846), wk = 0.0025445 k( 30) = ( 0.0000000 0.0000000 0.2230769), wk = 0.0025445 k( 31) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025445 k( 32) = ( 0.0000000 0.0000000 0.2384615), wk = 0.0025445 k( 33) = ( 0.0000000 0.0000000 0.2461539), wk = 0.0025445 k( 34) = ( 0.0000000 0.0000000 0.2538462), wk = 0.0025445 k( 35) = ( 0.0000000 0.0000000 0.2615385), wk = 0.0025445 k( 36) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025445 k( 37) = ( 0.0000000 0.0000000 0.2769231), wk = 0.0025445 k( 38) = ( 0.0000000 0.0000000 0.2846154), wk = 0.0025445 k( 39) = ( 0.0000000 0.0000000 0.2923077), wk = 0.0025445 k( 40) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025445 k( 41) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025445 k( 42) = ( 0.0000000 0.0000000 0.3153846), wk = 0.0025445 k( 43) = ( 0.0000000 0.0000000 0.3230769), wk = 0.0025445 k( 44) = ( 0.0000000 0.0000000 0.3307692), wk = 0.0025445 k( 45) = ( 0.0000000 0.0000000 0.3384615), wk = 0.0025445 k( 46) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0025445 k( 47) = ( 0.0000000 0.0000000 0.3538462), wk = 0.0025445 k( 48) = ( 0.0000000 0.0000000 0.3615385), wk = 0.0025445 k( 49) = ( 0.0000000 0.0000000 0.3692308), wk = 0.0025445 k( 50) = ( 0.0000000 0.0000000 0.3769231), wk = 0.0025445 k( 51) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025445 k( 52) = ( 0.0000000 0.0000000 0.3923077), wk = 0.0025445 k( 53) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025445 k( 54) = ( 0.0000000 0.0000000 0.4076923), wk = 0.0025445 k( 55) = ( 0.0000000 0.0000000 0.4153846), wk = 0.0025445 k( 56) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025445 k( 57) = ( 0.0000000 0.0000000 0.4307692), wk = 0.0025445 k( 58) = ( 0.0000000 0.0000000 0.4384615), wk = 0.0025445 k( 59) = ( 0.0000000 0.0000000 0.4461539), wk = 0.0025445 k( 60) = ( 0.0000000 0.0000000 0.4538462), wk = 0.0025445 k( 61) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025445 k( 62) = ( 0.0000000 0.0000000 0.4692308), wk = 0.0025445 k( 63) = ( 0.0000000 0.0000000 0.4769231), wk = 0.0025445 k( 64) = ( 0.0000000 0.0000000 0.4846154), wk = 0.0025445 k( 65) = ( 0.0000000 0.0000000 0.4923077), wk = 0.0025445 k( 66) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025445 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025445 k( 68) = ( -0.0072457 0.0072457 0.5000000), wk = 0.0025445 k( 69) = ( -0.0144914 0.0144914 0.5000000), wk = 0.0025445 k( 70) = ( -0.0217370 0.0217370 0.5000000), wk = 0.0025445 k( 71) = ( -0.0289827 0.0289827 0.5000000), wk = 0.0025445 k( 72) = ( -0.0362284 0.0362284 0.5000000), wk = 0.0025445 k( 73) = ( -0.0434740 0.0434740 0.5000000), wk = 0.0025445 k( 74) = ( -0.0434740 0.0434740 0.5000000), wk = 0.0025445 k( 75) = ( -0.0489089 0.0489089 0.4945652), wk = 0.0025445 k( 76) = ( -0.0543437 0.0543437 0.4891303), wk = 0.0025445 k( 77) = ( -0.0597785 0.0597785 0.4836955), wk = 0.0025445 k( 78) = ( -0.0652134 0.0652134 0.4782607), wk = 0.0025445 k( 79) = ( -0.0706482 0.0706482 0.4728258), wk = 0.0025445 k( 80) = ( -0.0760830 0.0760830 0.4673910), wk = 0.0025445 k( 81) = ( -0.0815179 0.0815179 0.4619562), wk = 0.0025445 k( 82) = ( -0.0869527 0.0869527 0.4565213), wk = 0.0025445 k( 83) = ( -0.0923875 0.0923875 0.4510865), wk = 0.0025445 k( 84) = ( -0.0978224 0.0978224 0.4456517), wk = 0.0025445 k( 85) = ( -0.1032572 0.1032572 0.4402168), wk = 0.0025445 k( 86) = ( -0.1086920 0.1086920 0.4347820), wk = 0.0025445 k( 87) = ( -0.1141269 0.1141269 0.4293472), wk = 0.0025445 k( 88) = ( -0.1195617 0.1195617 0.4239123), wk = 0.0025445 k( 89) = ( -0.1249965 0.1249965 0.4184775), wk = 0.0025445 k( 90) = ( -0.1304314 0.1304314 0.4130427), wk = 0.0025445 k( 91) = ( -0.1358662 0.1358662 0.4076078), wk = 0.0025445 k( 92) = ( -0.1413010 0.1413010 0.4021730), wk = 0.0025445 k( 93) = ( -0.1467359 0.1467359 0.3967382), wk = 0.0025445 k( 94) = ( -0.1521707 0.1521707 0.3913033), wk = 0.0025445 k( 95) = ( -0.1576055 0.1576055 0.3858685), wk = 0.0025445 k( 96) = ( -0.1630404 0.1630404 0.3804337), wk = 0.0025445 k( 97) = ( -0.1684752 0.1684752 0.3749988), wk = 0.0025445 k( 98) = ( -0.1739100 0.1739100 0.3695640), wk = 0.0025445 k( 99) = ( -0.1793449 0.1793449 0.3641292), wk = 0.0025445 k( 100) = ( -0.1847797 0.1847797 0.3586944), wk = 0.0025445 k( 101) = ( -0.1902145 0.1902145 0.3532595), wk = 0.0025445 k( 102) = ( -0.1956494 0.1956494 0.3478247), wk = 0.0025445 k( 103) = ( -0.2010842 0.2010842 0.3423898), wk = 0.0025445 k( 104) = ( -0.2065190 0.2065190 0.3369550), wk = 0.0025445 k( 105) = ( -0.2119539 0.2119539 0.3315202), wk = 0.0025445 k( 106) = ( -0.2173887 0.2173887 0.3260853), wk = 0.0025445 k( 107) = ( -0.2228235 0.2228235 0.3206505), wk = 0.0025445 k( 108) = ( -0.2282584 0.2282584 0.3152157), wk = 0.0025445 k( 109) = ( -0.2336932 0.2336932 0.3097808), wk = 0.0025445 k( 110) = ( -0.2391280 0.2391280 0.3043460), wk = 0.0025445 k( 111) = ( -0.2445629 0.2445629 0.2989112), wk = 0.0025445 k( 112) = ( -0.2499977 0.2499977 0.2934764), wk = 0.0025445 k( 113) = ( -0.2554325 0.2554325 0.2880415), wk = 0.0025445 k( 114) = ( -0.2608673 0.2608674 0.2826067), wk = 0.0025445 k( 115) = ( -0.2663022 0.2663022 0.2771719), wk = 0.0025445 k( 116) = ( -0.2717370 0.2717370 0.2717370), wk = 0.0025445 k( 117) = ( -0.2717370 0.2717370 0.2717370), wk = 0.0025445 k( 118) = ( -0.2663023 0.2663023 0.2663023), wk = 0.0025445 k( 119) = ( -0.2608675 0.2608675 0.2608675), wk = 0.0025445 k( 120) = ( -0.2554328 0.2554328 0.2554328), wk = 0.0025445 k( 121) = ( -0.2499981 0.2499981 0.2499981), wk = 0.0025445 k( 122) = ( -0.2445633 0.2445633 0.2445633), wk = 0.0025445 k( 123) = ( -0.2391286 0.2391286 0.2391286), wk = 0.0025445 k( 124) = ( -0.2336938 0.2336938 0.2336938), wk = 0.0025445 k( 125) = ( -0.2282591 0.2282591 0.2282591), wk = 0.0025445 k( 126) = ( -0.2228244 0.2228244 0.2228244), wk = 0.0025445 k( 127) = ( -0.2173896 0.2173896 0.2173896), wk = 0.0025445 k( 128) = ( -0.2119549 0.2119549 0.2119549), wk = 0.0025445 k( 129) = ( -0.2065201 0.2065201 0.2065201), wk = 0.0025445 k( 130) = ( -0.2010854 0.2010854 0.2010854), wk = 0.0025445 k( 131) = ( -0.1956507 0.1956507 0.1956507), wk = 0.0025445 k( 132) = ( -0.1902159 0.1902159 0.1902159), wk = 0.0025445 k( 133) = ( -0.1847812 0.1847812 0.1847812), wk = 0.0025445 k( 134) = ( -0.1793464 0.1793464 0.1793464), wk = 0.0025445 k( 135) = ( -0.1739117 0.1739117 0.1739117), wk = 0.0025445 k( 136) = ( -0.1684769 0.1684769 0.1684770), wk = 0.0025445 k( 137) = ( -0.1630422 0.1630422 0.1630422), wk = 0.0025445 k( 138) = ( -0.1576075 0.1576075 0.1576075), wk = 0.0025445 k( 139) = ( -0.1521727 0.1521727 0.1521727), wk = 0.0025445 k( 140) = ( -0.1467380 0.1467380 0.1467380), wk = 0.0025445 k( 141) = ( -0.1413032 0.1413032 0.1413032), wk = 0.0025445 k( 142) = ( -0.1358685 0.1358685 0.1358685), wk = 0.0025445 k( 143) = ( -0.1304338 0.1304338 0.1304338), wk = 0.0025445 k( 144) = ( -0.1249990 0.1249990 0.1249990), wk = 0.0025445 k( 145) = ( -0.1195643 0.1195643 0.1195643), wk = 0.0025445 k( 146) = ( -0.1141295 0.1141295 0.1141295), wk = 0.0025445 k( 147) = ( -0.1086948 0.1086948 0.1086948), wk = 0.0025445 k( 148) = ( -0.1032601 0.1032601 0.1032601), wk = 0.0025445 k( 149) = ( -0.0978253 0.0978253 0.0978253), wk = 0.0025445 k( 150) = ( -0.0923906 0.0923906 0.0923906), wk = 0.0025445 k( 151) = ( -0.0869559 0.0869559 0.0869559), wk = 0.0025445 k( 152) = ( -0.0815211 0.0815211 0.0815211), wk = 0.0025445 k( 153) = ( -0.0760864 0.0760864 0.0760864), wk = 0.0025445 k( 154) = ( -0.0706516 0.0706516 0.0706516), wk = 0.0025445 k( 155) = ( -0.0652169 0.0652169 0.0652169), wk = 0.0025445 k( 156) = ( -0.0597821 0.0597821 0.0597821), wk = 0.0025445 k( 157) = ( -0.0543474 0.0543474 0.0543474), wk = 0.0025445 k( 158) = ( -0.0489127 0.0489127 0.0489127), wk = 0.0025445 k( 159) = ( -0.0434779 0.0434779 0.0434779), wk = 0.0025445 k( 160) = ( -0.0380432 0.0380432 0.0380432), wk = 0.0025445 k( 161) = ( -0.0326084 0.0326084 0.0326084), wk = 0.0025445 k( 162) = ( -0.0271737 0.0271737 0.0271737), wk = 0.0025445 k( 163) = ( -0.0217390 0.0217390 0.0217390), wk = 0.0025445 k( 164) = ( -0.0163042 0.0163042 0.0163042), wk = 0.0025445 k( 165) = ( -0.0108695 0.0108695 0.0108695), wk = 0.0025445 k( 166) = ( -0.0054347 0.0054347 0.0054347), wk = 0.0025445 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 169) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0025445 k( 170) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0025445 k( 171) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0025445 k( 172) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0025445 k( 173) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0025445 k( 174) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0025445 k( 175) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0025445 k( 176) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0025445 k( 177) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0025445 k( 178) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0025445 k( 179) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0025445 k( 180) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0025445 k( 181) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0025445 k( 182) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0025445 k( 183) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0025445 k( 184) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0025445 k( 185) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0025445 k( 186) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0025445 k( 187) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0025445 k( 188) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0025445 k( 189) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0025445 k( 190) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0025445 k( 191) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0025445 k( 192) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0025445 k( 193) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0025445 k( 194) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0025445 k( 195) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025445 k( 196) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025445 k( 197) = ( 0.4945652 0.5054348 -0.4945652), wk = 0.0025445 k( 198) = ( 0.4891303 0.5108697 -0.4891303), wk = 0.0025445 k( 199) = ( 0.4836955 0.5163045 -0.4836955), wk = 0.0025445 k( 200) = ( 0.4782607 0.5217393 -0.4782607), wk = 0.0025445 k( 201) = ( 0.4728258 0.5271742 -0.4728258), wk = 0.0025445 k( 202) = ( 0.4673910 0.5326090 -0.4673910), wk = 0.0025445 k( 203) = ( 0.4619562 0.5380438 -0.4619562), wk = 0.0025445 k( 204) = ( 0.4565213 0.5434787 -0.4565213), wk = 0.0025445 k( 205) = ( 0.4510865 0.5489135 -0.4510865), wk = 0.0025445 k( 206) = ( 0.4456517 0.5543483 -0.4456517), wk = 0.0025445 k( 207) = ( 0.4402168 0.5597832 -0.4402168), wk = 0.0025445 k( 208) = ( 0.4347820 0.5652180 -0.4347820), wk = 0.0025445 k( 209) = ( 0.4293472 0.5706528 -0.4293472), wk = 0.0025445 k( 210) = ( 0.4239123 0.5760877 -0.4239123), wk = 0.0025445 k( 211) = ( 0.4184775 0.5815225 -0.4184775), wk = 0.0025445 k( 212) = ( 0.4130427 0.5869573 -0.4130427), wk = 0.0025445 k( 213) = ( 0.4076078 0.5923922 -0.4076078), wk = 0.0025445 k( 214) = ( 0.4021730 0.5978270 -0.4021730), wk = 0.0025445 k( 215) = ( 0.3967382 0.6032618 -0.3967382), wk = 0.0025445 k( 216) = ( 0.3913033 0.6086967 -0.3913033), wk = 0.0025445 k( 217) = ( 0.3858685 0.6141315 -0.3858685), wk = 0.0025445 k( 218) = ( 0.3804337 0.6195663 -0.3804337), wk = 0.0025445 k( 219) = ( 0.3749988 0.6250012 -0.3749988), wk = 0.0025445 k( 220) = ( 0.3695640 0.6304360 -0.3695640), wk = 0.0025445 k( 221) = ( 0.3641292 0.6358708 -0.3641292), wk = 0.0025445 k( 222) = ( 0.3586943 0.6413056 -0.3586943), wk = 0.0025445 k( 223) = ( 0.3532595 0.6467405 -0.3532595), wk = 0.0025445 k( 224) = ( 0.3478247 0.6521753 -0.3478247), wk = 0.0025445 k( 225) = ( 0.3423898 0.6576102 -0.3423898), wk = 0.0025445 k( 226) = ( 0.3369550 0.6630450 -0.3369550), wk = 0.0025445 k( 227) = ( 0.3315202 0.6684798 -0.3315202), wk = 0.0025445 k( 228) = ( 0.3260853 0.6739147 -0.3260854), wk = 0.0025445 k( 229) = ( 0.3206505 0.6793495 -0.3206505), wk = 0.0025445 k( 230) = ( 0.3152157 0.6847843 -0.3152157), wk = 0.0025445 k( 231) = ( 0.3097808 0.6902192 -0.3097808), wk = 0.0025445 k( 232) = ( 0.3043460 0.6956540 -0.3043460), wk = 0.0025445 k( 233) = ( 0.2989112 0.7010888 -0.2989112), wk = 0.0025445 k( 234) = ( 0.2934763 0.7065237 -0.2934763), wk = 0.0025445 k( 235) = ( 0.2880415 0.7119585 -0.2880415), wk = 0.0025445 k( 236) = ( 0.2826067 0.7173933 -0.2826067), wk = 0.0025445 k( 237) = ( 0.2771718 0.7228282 -0.2771719), wk = 0.0025445 k( 238) = ( 0.2717370 0.7282630 -0.2717370), wk = 0.0025445 k( 239) = ( 0.2717370 0.7282630 -0.2717370), wk = 0.0025445 k( 240) = ( 0.2536212 0.7130455 -0.2536212), wk = 0.0025445 k( 241) = ( 0.2355054 0.6978279 -0.2355054), wk = 0.0025445 k( 242) = ( 0.2173896 0.6826104 -0.2173896), wk = 0.0025445 k( 243) = ( 0.1992738 0.6673929 -0.1992738), wk = 0.0025445 k( 244) = ( 0.1811580 0.6521753 -0.1811580), wk = 0.0025445 k( 245) = ( 0.1630422 0.6369578 -0.1630422), wk = 0.0025445 k( 246) = ( 0.1449264 0.6217403 -0.1449264), wk = 0.0025445 k( 247) = ( 0.1268106 0.6065227 -0.1268106), wk = 0.0025445 k( 248) = ( 0.1086948 0.5913052 -0.1086948), wk = 0.0025445 k( 249) = ( 0.0905790 0.5760877 -0.0905790), wk = 0.0025445 k( 250) = ( 0.0724632 0.5608701 -0.0724632), wk = 0.0025445 k( 251) = ( 0.0543474 0.5456526 -0.0543474), wk = 0.0025445 k( 252) = ( 0.0362316 0.5304351 -0.0362316), wk = 0.0025445 k( 253) = ( 0.0181158 0.5152175 -0.0181158), wk = 0.0025445 k( 254) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025445 k( 255) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025445 k( 256) = ( 0.0054348 0.4945652 0.0054348), wk = 0.0025445 k( 257) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0025445 k( 258) = ( 0.0163043 0.4836957 0.0163043), wk = 0.0025445 k( 259) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0025445 k( 260) = ( 0.0271739 0.4728261 0.0271739), wk = 0.0025445 k( 261) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0025445 k( 262) = ( 0.0380435 0.4619565 0.0380435), wk = 0.0025445 k( 263) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0025445 k( 264) = ( 0.0489130 0.4510870 0.0489130), wk = 0.0025445 k( 265) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0025445 k( 266) = ( 0.0597826 0.4402174 0.0597826), wk = 0.0025445 k( 267) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0025445 k( 268) = ( 0.0706522 0.4293478 0.0706522), wk = 0.0025445 k( 269) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0025445 k( 270) = ( 0.0815217 0.4184783 0.0815217), wk = 0.0025445 k( 271) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0025445 k( 272) = ( 0.0923913 0.4076087 0.0923913), wk = 0.0025445 k( 273) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0025445 k( 274) = ( 0.1032609 0.3967391 0.1032609), wk = 0.0025445 k( 275) = ( 0.1086957 0.3913044 0.1086957), wk = 0.0025445 k( 276) = ( 0.1141304 0.3858696 0.1141304), wk = 0.0025445 k( 277) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0025445 k( 278) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0025445 k( 279) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0025445 k( 280) = ( 0.1358696 0.3641304 0.1358696), wk = 0.0025445 k( 281) = ( 0.1413043 0.3586957 0.1413044), wk = 0.0025445 k( 282) = ( 0.1467391 0.3532609 0.1467391), wk = 0.0025445 k( 283) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0025445 k( 284) = ( 0.1576087 0.3423913 0.1576087), wk = 0.0025445 k( 285) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0025445 k( 286) = ( 0.1684783 0.3315217 0.1684783), wk = 0.0025445 k( 287) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0025445 k( 288) = ( 0.1793478 0.3206522 0.1793478), wk = 0.0025445 k( 289) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0025445 k( 290) = ( 0.1902174 0.3097826 0.1902174), wk = 0.0025445 k( 291) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0025445 k( 292) = ( 0.2010870 0.2989130 0.2010870), wk = 0.0025445 k( 293) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0025445 k( 294) = ( 0.2119565 0.2880435 0.2119565), wk = 0.0025445 k( 295) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0025445 k( 296) = ( 0.2228261 0.2771739 0.2228261), wk = 0.0025445 k( 297) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0025445 k( 298) = ( 0.2336957 0.2663044 0.2336957), wk = 0.0025445 k( 299) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0025445 k( 300) = ( 0.2445652 0.2554348 0.2445652), wk = 0.0025445 k( 301) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025445 k( 302) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025445 k( 303) = ( 0.2666667 0.2666667 0.2304351), wk = 0.0025445 k( 304) = ( 0.2833333 0.2833333 0.2108701), wk = 0.0025445 k( 305) = ( 0.3000000 0.3000000 0.1913052), wk = 0.0025445 k( 306) = ( 0.3166667 0.3166667 0.1717403), wk = 0.0025445 k( 307) = ( 0.3333333 0.3333333 0.1521753), wk = 0.0025445 k( 308) = ( 0.3500000 0.3500000 0.1326104), wk = 0.0025445 k( 309) = ( 0.3666667 0.3666667 0.1130455), wk = 0.0025445 k( 310) = ( 0.3833333 0.3833333 0.0934805), wk = 0.0025445 k( 311) = ( 0.4000000 0.4000000 0.0739156), wk = 0.0025445 k( 312) = ( 0.4166667 0.4166667 0.0543506), wk = 0.0025445 k( 313) = ( 0.4333333 0.4333333 0.0347857), wk = 0.0025445 k( 314) = ( 0.4500000 0.4500000 0.0152208), wk = 0.0025445 k( 315) = ( 0.4666667 0.4666667 -0.0043442), wk = 0.0025445 k( 316) = ( 0.4833333 0.4833333 -0.0239091), wk = 0.0025445 k( 317) = ( 0.5000000 0.5000000 -0.0434740), wk = 0.0025445 k( 318) = ( 0.5000000 0.5000000 -0.0434740), wk = 0.0025445 k( 319) = ( 0.5000000 0.5000000 -0.0510828), wk = 0.0025445 k( 320) = ( 0.5000000 0.5000000 -0.0586916), wk = 0.0025445 k( 321) = ( 0.5000000 0.5000000 -0.0663003), wk = 0.0025445 k( 322) = ( 0.5000000 0.5000000 -0.0739091), wk = 0.0025445 k( 323) = ( 0.5000000 0.5000000 -0.0815179), wk = 0.0025445 k( 324) = ( 0.5000000 0.5000000 -0.0891266), wk = 0.0025445 k( 325) = ( 0.5000000 0.5000000 -0.0967354), wk = 0.0025445 k( 326) = ( 0.5000000 0.5000000 -0.1043442), wk = 0.0025445 k( 327) = ( 0.5000000 0.5000000 -0.1119529), wk = 0.0025445 k( 328) = ( 0.5000000 0.5000000 -0.1195617), wk = 0.0025445 k( 329) = ( 0.5000000 0.5000000 -0.1271705), wk = 0.0025445 k( 330) = ( 0.5000000 0.5000000 -0.1347792), wk = 0.0025445 k( 331) = ( 0.5000000 0.5000000 -0.1423880), wk = 0.0025445 k( 332) = ( 0.5000000 0.5000000 -0.1499968), wk = 0.0025445 k( 333) = ( 0.5000000 0.5000000 -0.1576055), wk = 0.0025445 k( 334) = ( 0.5000000 0.5000000 -0.1652143), wk = 0.0025445 k( 335) = ( 0.5000000 0.5000000 -0.1728231), wk = 0.0025445 k( 336) = ( 0.5000000 0.5000000 -0.1804318), wk = 0.0025445 k( 337) = ( 0.5000000 0.5000000 -0.1880406), wk = 0.0025445 k( 338) = ( 0.5000000 0.5000000 -0.1956494), wk = 0.0025445 k( 339) = ( 0.5000000 0.5000000 -0.2032581), wk = 0.0025445 k( 340) = ( 0.5000000 0.5000000 -0.2108669), wk = 0.0025445 k( 341) = ( 0.5000000 0.5000000 -0.2184757), wk = 0.0025445 k( 342) = ( 0.5000000 0.5000000 -0.2260844), wk = 0.0025445 k( 343) = ( 0.5000000 0.5000000 -0.2336932), wk = 0.0025445 k( 344) = ( 0.5000000 0.5000000 -0.2413020), wk = 0.0025445 k( 345) = ( 0.5000000 0.5000000 -0.2489107), wk = 0.0025445 k( 346) = ( 0.5000000 0.5000000 -0.2565195), wk = 0.0025445 k( 347) = ( 0.5000000 0.5000000 -0.2641283), wk = 0.0025445 k( 348) = ( 0.5000000 0.5000000 -0.2717370), wk = 0.0025445 k( 349) = ( 0.5000000 0.5000000 -0.2793458), wk = 0.0025445 k( 350) = ( 0.5000000 0.5000000 -0.2869546), wk = 0.0025445 k( 351) = ( 0.5000000 0.5000000 -0.2945633), wk = 0.0025445 k( 352) = ( 0.5000000 0.5000000 -0.3021721), wk = 0.0025445 k( 353) = ( 0.5000000 0.5000000 -0.3097808), wk = 0.0025445 k( 354) = ( 0.5000000 0.5000000 -0.3173896), wk = 0.0025445 k( 355) = ( 0.5000000 0.5000000 -0.3249984), wk = 0.0025445 k( 356) = ( 0.5000000 0.5000000 -0.3326072), wk = 0.0025445 k( 357) = ( 0.5000000 0.5000000 -0.3402159), wk = 0.0025445 k( 358) = ( 0.5000000 0.5000000 -0.3478247), wk = 0.0025445 k( 359) = ( 0.5000000 0.5000000 -0.3554335), wk = 0.0025445 k( 360) = ( 0.5000000 0.5000000 -0.3630422), wk = 0.0025445 k( 361) = ( 0.5000000 0.5000000 -0.3706510), wk = 0.0025445 k( 362) = ( 0.5000000 0.5000000 -0.3782597), wk = 0.0025445 k( 363) = ( 0.5000000 0.5000000 -0.3858685), wk = 0.0025445 k( 364) = ( 0.5000000 0.5000000 -0.3934773), wk = 0.0025445 k( 365) = ( 0.5000000 0.5000000 -0.4010860), wk = 0.0025445 k( 366) = ( 0.5000000 0.5000000 -0.4086948), wk = 0.0025445 k( 367) = ( 0.5000000 0.5000000 -0.4163036), wk = 0.0025445 k( 368) = ( 0.5000000 0.5000000 -0.4239123), wk = 0.0025445 k( 369) = ( 0.5000000 0.5000000 -0.4315211), wk = 0.0025445 k( 370) = ( 0.5000000 0.5000000 -0.4391299), wk = 0.0025445 k( 371) = ( 0.5000000 0.5000000 -0.4467386), wk = 0.0025445 k( 372) = ( 0.5000000 0.5000000 -0.4543474), wk = 0.0025445 k( 373) = ( 0.5000000 0.5000000 -0.4619562), wk = 0.0025445 k( 374) = ( 0.5000000 0.5000000 -0.4695649), wk = 0.0025445 k( 375) = ( 0.5000000 0.5000000 -0.4771737), wk = 0.0025445 k( 376) = ( 0.5000000 0.5000000 -0.4847825), wk = 0.0025445 k( 377) = ( 0.5000000 0.5000000 -0.4923912), wk = 0.0025445 k( 378) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025445 k( 379) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025445 k( 380) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0025445 k( 381) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0025445 k( 382) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0025445 k( 383) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0025445 k( 384) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0025445 k( 385) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0025445 k( 386) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0025445 k( 387) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0025445 k( 388) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0025445 k( 389) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0025445 k( 390) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0025445 k( 391) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0025445 k( 392) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0025445 k( 393) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025445 Dense grid: 33789 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 18307 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 98, 44) NL pseudopotentials 0.07 Mb ( 49, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 704) G-vector shells 0.00 Mb ( 335) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 98, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./TaAs.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.1 secs Computing kpt #: 3 total cpu time spent up to now is 47.6 secs Computing kpt #: 4 total cpu time spent up to now is 49.6 secs Computing kpt #: 5 total cpu time spent up to now is 51.6 secs Computing kpt #: 6 total cpu time spent up to now is 53.1 secs Computing kpt #: 7 total cpu time spent up to now is 55.0 secs Computing kpt #: 8 total cpu time spent up to now is 56.5 secs Computing kpt #: 9 total cpu time spent up to now is 58.0 secs Computing kpt #: 10 total cpu time spent up to now is 59.5 secs Computing kpt #: 11 total cpu time spent up to now is 61.0 secs Computing kpt #: 12 total cpu time spent up to now is 62.5 secs Computing kpt #: 13 total cpu time spent up to now is 63.9 secs Computing kpt #: 14 total cpu time spent up to now is 65.3 secs Computing kpt #: 15 total cpu time spent up to now is 66.7 secs Computing kpt #: 16 total cpu time spent up to now is 68.3 secs Computing kpt #: 17 total cpu time spent up to now is 69.7 secs Computing kpt #: 18 total cpu time spent up to now is 71.5 secs Computing kpt #: 19 total cpu time spent up to now is 73.1 secs Computing kpt #: 20 total cpu time spent up to now is 75.4 secs Computing kpt #: 21 total cpu time spent up to now is 76.8 secs Computing kpt #: 22 total cpu time spent up to now is 78.2 secs Computing kpt #: 23 total cpu time spent up to now is 79.6 secs Computing kpt #: 24 total cpu time spent up to now is 81.9 secs Computing kpt #: 25 total cpu time spent up to now is 84.1 secs Computing kpt #: 26 total cpu time spent up to now is 85.7 secs Computing kpt #: 27 total cpu time spent up to now is 87.1 secs Computing kpt #: 28 total cpu time spent up to now is 88.7 secs Computing kpt #: 29 total cpu time spent up to now is 90.0 secs Computing kpt #: 30 total cpu time spent up to now is 91.4 secs Computing kpt #: 31 total cpu time spent up to now is 93.0 secs Computing kpt #: 32 total cpu time spent up to now is 94.9 secs Computing kpt #: 33 total cpu time spent up to now is 96.4 secs Computing kpt #: 34 total cpu time spent up to now is 97.8 secs Computing kpt #: 35 total cpu time spent up to now is 99.2 secs Computing kpt #: 36 total cpu time spent up to now is 100.6 secs Computing kpt #: 37 total cpu time spent up to now is 102.0 secs Computing kpt #: 38 total cpu time spent up to now is 103.4 secs Computing kpt #: 39 total cpu time spent up to now is 105.0 secs Computing kpt #: 40 total cpu time spent up to now is 106.8 secs Computing kpt #: 41 total cpu time spent up to now is 108.2 secs Computing kpt #: 42 total cpu time spent up to now is 109.5 secs Computing kpt #: 43 total cpu time spent up to now is 110.9 secs Computing kpt #: 44 total cpu time spent up to now is 112.6 secs Computing kpt #: 45 total cpu time spent up to now is 114.2 secs Computing kpt #: 46 total cpu time spent up to now is 115.8 secs Computing kpt #: 47 total cpu time spent up to now is 117.2 secs Computing kpt #: 48 total cpu time spent up to now is 118.8 secs Computing kpt #: 49 total cpu time spent up to now is 120.2 secs Computing kpt #: 50 total cpu time spent up to now is 121.7 secs Computing kpt #: 51 total cpu time spent up to now is 123.2 secs Computing kpt #: 52 total cpu time spent up to now is 124.7 secs Computing kpt #: 53 total cpu time spent up to now is 126.2 secs Computing kpt #: 54 total cpu time spent up to now is 127.7 secs Computing kpt #: 55 total cpu time spent up to now is 129.7 secs Computing kpt #: 56 total cpu time spent up to now is 131.3 secs Computing kpt #: 57 total cpu time spent up to now is 133.1 secs Computing kpt #: 58 total cpu time spent up to now is 134.8 secs Computing kpt #: 59 total cpu time spent up to now is 136.7 secs Computing kpt #: 60 total cpu time spent up to now is 138.5 secs Computing kpt #: 61 total cpu time spent up to now is 140.4 secs Computing kpt #: 62 total cpu time spent up to now is 141.8 secs Computing kpt #: 63 total cpu time spent up to now is 143.8 secs Computing kpt #: 64 total cpu time spent up to now is 145.4 secs Computing kpt #: 65 total cpu time spent up to now is 146.8 secs Computing kpt #: 66 total cpu time spent up to now is 148.2 secs Computing kpt #: 67 total cpu time spent up to now is 149.6 secs Computing kpt #: 68 total cpu time spent up to now is 151.3 secs Computing kpt #: 69 total cpu time spent up to now is 153.2 secs Computing kpt #: 70 total cpu time spent up to now is 154.7 secs Computing kpt #: 71 total cpu time spent up to now is 156.8 secs Computing kpt #: 72 total cpu time spent up to now is 158.5 secs Computing kpt #: 73 total cpu time spent up to now is 159.9 secs Computing kpt #: 74 total cpu time spent up to now is 161.3 secs Computing kpt #: 75 total cpu time spent up to now is 162.7 secs Computing kpt #: 76 total cpu time spent up to now is 164.4 secs Computing kpt #: 77 total cpu time spent up to now is 166.0 secs Computing kpt #: 78 total cpu time spent up to now is 167.5 secs Computing kpt #: 79 total cpu time spent up to now is 169.2 secs Computing kpt #: 80 total cpu time spent up to now is 170.7 secs Computing kpt #: 81 total cpu time spent up to now is 172.2 secs Computing kpt #: 82 total cpu time spent up to now is 173.7 secs Computing kpt #: 83 total cpu time spent up to now is 175.1 secs Computing kpt #: 84 total cpu time spent up to now is 176.6 secs Computing kpt #: 85 total cpu time spent up to now is 178.0 secs Computing kpt #: 86 total cpu time spent up to now is 179.7 secs Computing kpt #: 87 total cpu time spent up to now is 181.1 secs Computing kpt #: 88 total cpu time spent up to now is 182.6 secs Computing kpt #: 89 total cpu time spent up to now is 184.3 secs Computing kpt #: 90 total cpu time spent up to now is 185.7 secs Computing kpt #: 91 total cpu time spent up to now is 187.1 secs Computing kpt #: 92 total cpu time spent up to now is 188.5 secs Computing kpt #: 93 total cpu time spent up to now is 190.0 secs Computing kpt #: 94 total cpu time spent up to now is 192.2 secs Computing kpt #: 95 total cpu time spent up to now is 193.7 secs Computing kpt #: 96 total cpu time spent up to now is 195.2 secs Computing kpt #: 97 total cpu time spent up to now is 196.7 secs Computing kpt #: 98 total cpu time spent up to now is 198.1 secs Computing kpt #: 99 total cpu time spent up to now is 200.3 secs Computing kpt #: 100 total cpu time spent up to now is 201.7 secs Computing kpt #: 101 total cpu time spent up to now is 203.2 secs Computing kpt #: 102 total cpu time spent up to now is 204.8 secs Computing kpt #: 103 total cpu time spent up to now is 206.6 secs Computing kpt #: 104 total cpu time spent up to now is 208.1 secs Computing kpt #: 105 total cpu time spent up to now is 209.9 secs Computing kpt #: 106 total cpu time spent up to now is 211.6 secs Computing kpt #: 107 total cpu time spent up to now is 213.1 secs Computing kpt #: 108 total cpu time spent up to now is 214.6 secs Computing kpt #: 109 total cpu time spent up to now is 216.1 secs Computing kpt #: 110 total cpu time spent up to now is 217.7 secs Computing kpt #: 111 total cpu time spent up to now is 219.1 secs Computing kpt #: 112 total cpu time spent up to now is 220.6 secs Computing kpt #: 113 total cpu time spent up to now is 222.2 secs Computing kpt #: 114 total cpu time spent up to now is 223.7 secs Computing kpt #: 115 total cpu time spent up to now is 225.1 secs Computing kpt #: 116 total cpu time spent up to now is 226.6 secs Computing kpt #: 117 total cpu time spent up to now is 228.1 secs Computing kpt #: 118 total cpu time spent up to now is 229.6 secs Computing kpt #: 119 total cpu time spent up to now is 231.0 secs Computing kpt #: 120 total cpu time spent up to now is 232.3 secs Computing kpt #: 121 total cpu time spent up to now is 233.7 secs Computing kpt #: 122 total cpu time spent up to now is 235.2 secs Computing kpt #: 123 total cpu time spent up to now is 236.5 secs Computing kpt #: 124 total cpu time spent up to now is 237.9 secs Computing kpt #: 125 total cpu time spent up to now is 239.3 secs Computing kpt #: 126 total cpu time spent up to now is 240.7 secs Computing kpt #: 127 total cpu time spent up to now is 242.1 secs Computing kpt #: 128 total cpu time spent up to now is 243.5 secs Computing kpt #: 129 total cpu time spent up to now is 245.0 secs Computing kpt #: 130 total cpu time spent up to now is 246.6 secs Computing kpt #: 131 total cpu time spent up to now is 248.0 secs Computing kpt #: 132 total cpu time spent up to now is 249.5 secs Computing kpt #: 133 total cpu time spent up to now is 250.8 secs Computing kpt #: 134 total cpu time spent up to now is 252.4 secs Computing kpt #: 135 total cpu time spent up to now is 253.8 secs Computing kpt #: 136 total cpu time spent up to now is 255.3 secs Computing kpt #: 137 total cpu time spent up to now is 256.7 secs Computing kpt #: 138 total cpu time spent up to now is 258.1 secs Computing kpt #: 139 total cpu time spent up to now is 259.5 secs Computing kpt #: 140 total cpu time spent up to now is 261.0 secs Computing kpt #: 141 total cpu time spent up to now is 262.4 secs Computing kpt #: 142 total cpu time spent up to now is 263.7 secs Computing kpt #: 143 total cpu time spent up to now is 265.2 secs Computing kpt #: 144 total cpu time spent up to now is 266.7 secs Computing kpt #: 145 total cpu time spent up to now is 268.1 secs Computing kpt #: 146 total cpu time spent up to now is 270.0 secs Computing kpt #: 147 total cpu time spent up to now is 271.4 secs Computing kpt #: 148 total cpu time spent up to now is 272.8 secs Computing kpt #: 149 total cpu time spent up to now is 274.4 secs Computing kpt #: 150 total cpu time spent up to now is 275.8 secs Computing kpt #: 151 total cpu time spent up to now is 277.2 secs Computing kpt #: 152 total cpu time spent up to now is 278.7 secs Computing kpt #: 153 total cpu time spent up to now is 280.2 secs Computing kpt #: 154 total cpu time spent up to now is 281.9 secs Computing kpt #: 155 total cpu time spent up to now is 283.7 secs Computing kpt #: 156 total cpu time spent up to now is 285.1 secs Computing kpt #: 157 total cpu time spent up to now is 286.5 secs Computing kpt #: 158 total cpu time spent up to now is 288.1 secs Computing kpt #: 159 total cpu time spent up to now is 289.5 secs Computing kpt #: 160 total cpu time spent up to now is 291.0 secs Computing kpt #: 161 total cpu time spent up to now is 292.4 secs Computing kpt #: 162 total cpu time spent up to now is 293.9 secs Computing kpt #: 163 total cpu time spent up to now is 295.5 secs Computing kpt #: 164 total cpu time spent up to now is 297.7 secs Computing kpt #: 165 total cpu time spent up to now is 299.5 secs Computing kpt #: 166 total cpu time spent up to now is 301.0 secs Computing kpt #: 167 total cpu time spent up to now is 302.6 secs Computing kpt #: 168 total cpu time spent up to now is 304.3 secs Computing kpt #: 169 total cpu time spent up to now is 305.7 secs Computing kpt #: 170 total cpu time spent up to now is 307.2 secs Computing kpt #: 171 total cpu time spent up to now is 308.9 secs Computing kpt #: 172 total cpu time spent up to now is 310.8 secs Computing kpt #: 173 total cpu time spent up to now is 312.8 secs Computing kpt #: 174 total cpu time spent up to now is 314.8 secs Computing kpt #: 175 total cpu time spent up to now is 316.7 secs Computing kpt #: 176 total cpu time spent up to now is 318.7 secs Computing kpt #: 177 total cpu time spent up to now is 320.2 secs Computing kpt #: 178 total cpu time spent up to now is 321.7 secs Computing kpt #: 179 total cpu time spent up to now is 323.4 secs Computing kpt #: 180 total cpu time spent up to now is 324.9 secs Computing kpt #: 181 total cpu time spent up to now is 326.4 secs Computing kpt #: 182 total cpu time spent up to now is 327.9 secs Computing kpt #: 183 total cpu time spent up to now is 329.5 secs Computing kpt #: 184 total cpu time spent up to now is 331.6 secs Computing kpt #: 185 total cpu time spent up to now is 333.0 secs Computing kpt #: 186 total cpu time spent up to now is 334.5 secs Computing kpt #: 187 total cpu time spent up to now is 335.9 secs Computing kpt #: 188 total cpu time spent up to now is 337.3 secs Computing kpt #: 189 total cpu time spent up to now is 338.7 secs Computing kpt #: 190 total cpu time spent up to now is 340.1 secs Computing kpt #: 191 total cpu time spent up to now is 341.5 secs Computing kpt #: 192 total cpu time spent up to now is 342.9 secs Computing kpt #: 193 total cpu time spent up to now is 344.2 secs Computing kpt #: 194 total cpu time spent up to now is 345.4 secs Computing kpt #: 195 total cpu time spent up to now is 346.7 secs Computing kpt #: 196 total cpu time spent up to now is 348.0 secs Computing kpt #: 197 total cpu time spent up to now is 349.4 secs Computing kpt #: 198 total cpu time spent up to now is 350.7 secs Computing kpt #: 199 total cpu time spent up to now is 351.9 secs Computing kpt #: 200 total cpu time spent up to now is 353.1 secs Computing kpt #: 201 total cpu time spent up to now is 354.4 secs Computing kpt #: 202 total cpu time spent up to now is 355.6 secs Computing kpt #: 203 total cpu time spent up to now is 356.8 secs Computing kpt #: 204 total cpu time spent up to now is 358.0 secs Computing kpt #: 205 total cpu time spent up to now is 359.3 secs Computing kpt #: 206 total cpu time spent up to now is 360.6 secs Computing kpt #: 207 total cpu time spent up to now is 362.1 secs Computing kpt #: 208 total cpu time spent up to now is 363.4 secs Computing kpt #: 209 total cpu time spent up to now is 364.8 secs Computing kpt #: 210 total cpu time spent up to now is 366.2 secs Computing kpt #: 211 total cpu time spent up to now is 367.7 secs Computing kpt #: 212 total cpu time spent up to now is 369.1 secs Computing kpt #: 213 total cpu time spent up to now is 370.5 secs Computing kpt #: 214 total cpu time spent up to now is 371.8 secs Computing kpt #: 215 total cpu time spent up to now is 373.2 secs Computing kpt #: 216 total cpu time spent up to now is 374.6 secs Computing kpt #: 217 total cpu time spent up to now is 375.9 secs Computing kpt #: 218 total cpu time spent up to now is 377.3 secs Computing kpt #: 219 total cpu time spent up to now is 378.5 secs Computing kpt #: 220 total cpu time spent up to now is 380.0 secs Computing kpt #: 221 total cpu time spent up to now is 381.2 secs Computing kpt #: 222 total cpu time spent up to now is 382.4 secs Computing kpt #: 223 total cpu time spent up to now is 383.6 secs Computing kpt #: 224 total cpu time spent up to now is 384.9 secs Computing kpt #: 225 total cpu time spent up to now is 386.3 secs Computing kpt #: 226 total cpu time spent up to now is 387.5 secs Computing kpt #: 227 total cpu time spent up to now is 388.7 secs Computing kpt #: 228 total cpu time spent up to now is 389.9 secs Computing kpt #: 229 total cpu time spent up to now is 391.4 secs Computing kpt #: 230 total cpu time spent up to now is 393.4 secs Computing kpt #: 231 total cpu time spent up to now is 395.5 secs Computing kpt #: 232 total cpu time spent up to now is 396.9 secs Computing kpt #: 233 total cpu time spent up to now is 398.3 secs Computing kpt #: 234 total cpu time spent up to now is 400.1 secs Computing kpt #: 235 total cpu time spent up to now is 401.6 secs Computing kpt #: 236 total cpu time spent up to now is 403.0 secs Computing kpt #: 237 total cpu time spent up to now is 404.4 secs Computing kpt #: 238 total cpu time spent up to now is 405.8 secs Computing kpt #: 239 total cpu time spent up to now is 407.3 secs Computing kpt #: 240 total cpu time spent up to now is 408.7 secs Computing kpt #: 241 total cpu time spent up to now is 410.2 secs Computing kpt #: 242 total cpu time spent up to now is 411.6 secs Computing kpt #: 243 total cpu time spent up to now is 413.0 secs Computing kpt #: 244 total cpu time spent up to now is 414.5 secs Computing kpt #: 245 total cpu time spent up to now is 415.9 secs Computing kpt #: 246 total cpu time spent up to now is 417.3 secs Computing kpt #: 247 total cpu time spent up to now is 418.7 secs Computing kpt #: 248 total cpu time spent up to now is 420.3 secs Computing kpt #: 249 total cpu time spent up to now is 421.8 secs Computing kpt #: 250 total cpu time spent up to now is 423.2 secs Computing kpt #: 251 total cpu time spent up to now is 424.6 secs Computing kpt #: 252 total cpu time spent up to now is 426.2 secs Computing kpt #: 253 total cpu time spent up to now is 428.0 secs Computing kpt #: 254 total cpu time spent up to now is 429.7 secs Computing kpt #: 255 total cpu time spent up to now is 431.3 secs Computing kpt #: 256 total cpu time spent up to now is 432.9 secs Computing kpt #: 257 total cpu time spent up to now is 434.3 secs Computing kpt #: 258 total cpu time spent up to now is 435.7 secs Computing kpt #: 259 total cpu time spent up to now is 437.1 secs Computing kpt #: 260 total cpu time spent up to now is 438.7 secs Computing kpt #: 261 total cpu time spent up to now is 440.1 secs Computing kpt #: 262 total cpu time spent up to now is 441.7 secs Computing kpt #: 263 total cpu time spent up to now is 443.2 secs Computing kpt #: 264 total cpu time spent up to now is 445.1 secs Computing kpt #: 265 total cpu time spent up to now is 446.5 secs Computing kpt #: 266 total cpu time spent up to now is 448.0 secs Computing kpt #: 267 total cpu time spent up to now is 449.5 secs Computing kpt #: 268 total cpu time spent up to now is 451.0 secs Computing kpt #: 269 total cpu time spent up to now is 452.5 secs Computing kpt #: 270 total cpu time spent up to now is 454.4 secs Computing kpt #: 271 total cpu time spent up to now is 456.1 secs Computing kpt #: 272 total cpu time spent up to now is 457.6 secs Computing kpt #: 273 total cpu time spent up to now is 459.2 secs Computing kpt #: 274 total cpu time spent up to now is 460.9 secs Computing kpt #: 275 total cpu time spent up to now is 462.7 secs Computing kpt #: 276 total cpu time spent up to now is 465.3 secs Computing kpt #: 277 total cpu time spent up to now is 467.0 secs Computing kpt #: 278 total cpu time spent up to now is 468.6 secs Computing kpt #: 279 total cpu time spent up to now is 470.1 secs Computing kpt #: 280 total cpu time spent up to now is 472.1 secs Computing kpt #: 281 total cpu time spent up to now is 473.8 secs Computing kpt #: 282 total cpu time spent up to now is 475.4 secs Computing kpt #: 283 total cpu time spent up to now is 476.9 secs Computing kpt #: 284 total cpu time spent up to now is 478.3 secs Computing kpt #: 285 total cpu time spent up to now is 479.8 secs Computing kpt #: 286 total cpu time spent up to now is 481.3 secs Computing kpt #: 287 total cpu time spent up to now is 483.4 secs Computing kpt #: 288 total cpu time spent up to now is 485.6 secs Computing kpt #: 289 total cpu time spent up to now is 487.2 secs Computing kpt #: 290 total cpu time spent up to now is 488.7 secs Computing kpt #: 291 total cpu time spent up to now is 490.1 secs Computing kpt #: 292 total cpu time spent up to now is 491.5 secs Computing kpt #: 293 total cpu time spent up to now is 493.1 secs Computing kpt #: 294 total cpu time spent up to now is 494.7 secs Computing kpt #: 295 total cpu time spent up to now is 496.2 secs Computing kpt #: 296 total cpu time spent up to now is 497.7 secs Computing kpt #: 297 total cpu time spent up to now is 499.1 secs Computing kpt #: 298 total cpu time spent up to now is 500.9 secs Computing kpt #: 299 total cpu time spent up to now is 502.4 secs Computing kpt #: 300 total cpu time spent up to now is 503.8 secs Computing kpt #: 301 total cpu time spent up to now is 505.3 secs Computing kpt #: 302 total cpu time spent up to now is 506.8 secs Computing kpt #: 303 total cpu time spent up to now is 508.3 secs Computing kpt #: 304 total cpu time spent up to now is 509.7 secs Computing kpt #: 305 total cpu time spent up to now is 511.1 secs Computing kpt #: 306 total cpu time spent up to now is 512.6 secs Computing kpt #: 307 total cpu time spent up to now is 514.1 secs Computing kpt #: 308 total cpu time spent up to now is 515.6 secs Computing kpt #: 309 total cpu time spent up to now is 517.0 secs Computing kpt #: 310 total cpu time spent up to now is 518.5 secs Computing kpt #: 311 total cpu time spent up to now is 520.1 secs Computing kpt #: 312 total cpu time spent up to now is 521.6 secs Computing kpt #: 313 total cpu time spent up to now is 523.0 secs Computing kpt #: 314 total cpu time spent up to now is 524.5 secs Computing kpt #: 315 total cpu time spent up to now is 526.1 secs Computing kpt #: 316 total cpu time spent up to now is 527.6 secs Computing kpt #: 317 total cpu time spent up to now is 529.0 secs Computing kpt #: 318 total cpu time spent up to now is 530.8 secs Computing kpt #: 319 total cpu time spent up to now is 532.2 secs Computing kpt #: 320 total cpu time spent up to now is 533.6 secs Computing kpt #: 321 total cpu time spent up to now is 535.0 secs Computing kpt #: 322 total cpu time spent up to now is 536.6 secs Computing kpt #: 323 total cpu time spent up to now is 538.0 secs Computing kpt #: 324 total cpu time spent up to now is 539.4 secs Computing kpt #: 325 total cpu time spent up to now is 540.8 secs Computing kpt #: 326 total cpu time spent up to now is 542.2 secs Computing kpt #: 327 total cpu time spent up to now is 543.9 secs Computing kpt #: 328 total cpu time spent up to now is 545.7 secs Computing kpt #: 329 total cpu time spent up to now is 547.1 secs Computing kpt #: 330 total cpu time spent up to now is 548.7 secs Computing kpt #: 331 total cpu time spent up to now is 550.2 secs Computing kpt #: 332 total cpu time spent up to now is 551.5 secs Computing kpt #: 333 total cpu time spent up to now is 552.9 secs Computing kpt #: 334 total cpu time spent up to now is 554.2 secs Computing kpt #: 335 total cpu time spent up to now is 555.6 secs Computing kpt #: 336 total cpu time spent up to now is 556.9 secs Computing kpt #: 337 total cpu time spent up to now is 558.5 secs Computing kpt #: 338 total cpu time spent up to now is 560.0 secs Computing kpt #: 339 total cpu time spent up to now is 561.3 secs Computing kpt #: 340 total cpu time spent up to now is 562.7 secs Computing kpt #: 341 total cpu time spent up to now is 564.0 secs Computing kpt #: 342 total cpu time spent up to now is 565.4 secs Computing kpt #: 343 total cpu time spent up to now is 566.8 secs Computing kpt #: 344 total cpu time spent up to now is 568.2 secs Computing kpt #: 345 total cpu time spent up to now is 569.6 secs Computing kpt #: 346 total cpu time spent up to now is 570.9 secs Computing kpt #: 347 total cpu time spent up to now is 572.3 secs Computing kpt #: 348 total cpu time spent up to now is 573.9 secs Computing kpt #: 349 total cpu time spent up to now is 575.3 secs Computing kpt #: 350 total cpu time spent up to now is 576.5 secs Computing kpt #: 351 total cpu time spent up to now is 578.2 secs Computing kpt #: 352 total cpu time spent up to now is 579.6 secs Computing kpt #: 353 total cpu time spent up to now is 580.8 secs Computing kpt #: 354 total cpu time spent up to now is 582.0 secs Computing kpt #: 355 total cpu time spent up to now is 583.3 secs Computing kpt #: 356 total cpu time spent up to now is 584.7 secs Computing kpt #: 357 total cpu time spent up to now is 585.9 secs Computing kpt #: 358 total cpu time spent up to now is 587.2 secs Computing kpt #: 359 total cpu time spent up to now is 588.7 secs Computing kpt #: 360 total cpu time spent up to now is 590.1 secs Computing kpt #: 361 total cpu time spent up to now is 591.3 secs Computing kpt #: 362 total cpu time spent up to now is 592.5 secs Computing kpt #: 363 total cpu time spent up to now is 593.6 secs Computing kpt #: 364 total cpu time spent up to now is 595.3 secs Computing kpt #: 365 total cpu time spent up to now is 596.7 secs Computing kpt #: 366 total cpu time spent up to now is 598.9 secs Computing kpt #: 367 total cpu time spent up to now is 600.1 secs Computing kpt #: 368 total cpu time spent up to now is 601.3 secs Computing kpt #: 369 total cpu time spent up to now is 602.6 secs Computing kpt #: 370 total cpu time spent up to now is 606.4 secs Computing kpt #: 371 total cpu time spent up to now is 607.9 secs Computing kpt #: 372 total cpu time spent up to now is 609.6 secs Computing kpt #: 373 total cpu time spent up to now is 611.5 secs Computing kpt #: 374 total cpu time spent up to now is 613.8 secs Computing kpt #: 375 total cpu time spent up to now is 615.2 secs Computing kpt #: 376 total cpu time spent up to now is 616.6 secs Computing kpt #: 377 total cpu time spent up to now is 617.9 secs Computing kpt #: 378 total cpu time spent up to now is 619.2 secs Computing kpt #: 379 total cpu time spent up to now is 620.6 secs Computing kpt #: 380 total cpu time spent up to now is 622.3 secs Computing kpt #: 381 total cpu time spent up to now is 624.2 secs Computing kpt #: 382 total cpu time spent up to now is 625.9 secs Computing kpt #: 383 total cpu time spent up to now is 627.5 secs Computing kpt #: 384 total cpu time spent up to now is 628.9 secs Computing kpt #: 385 total cpu time spent up to now is 630.4 secs Computing kpt #: 386 total cpu time spent up to now is 632.0 secs Computing kpt #: 387 total cpu time spent up to now is 633.5 secs Computing kpt #: 388 total cpu time spent up to now is 635.2 secs Computing kpt #: 389 total cpu time spent up to now is 636.6 secs Computing kpt #: 390 total cpu time spent up to now is 638.4 secs Computing kpt #: 391 total cpu time spent up to now is 640.3 secs Computing kpt #: 392 total cpu time spent up to now is 641.8 secs Computing kpt #: 393 total cpu time spent up to now is 644.9 secs ethr = 2.78E-11, avg # of iterations = 24.6 total cpu time spent up to now is 645.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2275 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8130 -25.8130 -25.7648 -25.7648 -17.2269 -17.2269 -17.1065 -17.1065 -17.0612 -17.0612 -16.9709 -16.9709 1.1899 1.1899 3.7598 3.7598 8.2241 8.2241 12.1027 12.1027 12.6589 12.6589 12.7866 12.7866 12.8896 12.8896 13.3418 13.3418 13.5292 13.5292 13.7196 13.7196 16.2088 16.2088 16.9465 16.9465 17.6221 17.6221 18.3602 18.3602 k = 0.0000 0.0000 0.0200 ( 2275 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8132 -25.8130 -25.7648 -25.7648 -17.2276 -17.2261 -17.1073 -17.1058 -17.0617 -17.0608 -16.9717 -16.9703 1.1914 1.1917 3.7562 3.7648 8.2214 8.2288 12.0944 12.1013 12.6532 12.6648 12.7787 12.7879 12.8915 12.8917 13.3118 13.3608 13.5072 13.5541 13.7211 13.7220 16.2002 16.2116 16.9334 16.9519 17.6224 17.6250 18.3495 18.3663 k = 0.0000 0.0000 0.0400 ( 2275 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8133 -25.8129 -25.7649 -25.7649 -17.2283 -17.2253 -17.1084 -17.1054 -17.0625 -17.0608 -16.9725 -16.9697 1.1961 1.1967 3.7539 3.7709 8.2207 8.2353 12.0771 12.0905 12.6466 12.6708 12.7656 12.7846 12.8957 12.8963 13.2757 13.3614 13.4980 13.5748 13.7267 13.7290 16.1856 16.2084 16.9128 16.9495 17.6261 17.6311 18.3345 18.3644 k = 0.0000 0.0000 0.0600 ( 2275 PWs) bands (ev): -52.9114 -52.9114 -52.9003 -52.9003 -25.8135 -25.8129 -25.7651 -25.7650 -17.2291 -17.2245 -17.1097 -17.1052 -17.0634 -17.0608 -16.9735 -16.9693 1.2041 1.2050 3.7528 3.7783 8.2219 8.2438 12.0515 12.0710 12.6375 12.6745 12.7507 12.7792 12.8979 12.9010 13.2359 13.3423 13.5052 13.5873 13.7340 13.7462 16.1652 16.1994 16.8851 16.9390 17.6332 17.6405 18.3152 18.3436 k = 0.0000 0.0000 0.0799 ( 2279 PWs) bands (ev): -52.9114 -52.9114 -52.9003 -52.9003 -25.8137 -25.8129 -25.7654 -25.7653 -17.2299 -17.2237 -17.1112 -17.1053 -17.0646 -17.0612 -16.9745 -16.9690 1.2152 1.2165 3.7530 3.7869 8.2251 8.2542 12.0188 12.0436 12.6246 12.6713 12.7380 12.7727 12.8947 12.9029 13.1945 13.3126 13.5224 13.5923 13.7444 13.7726 16.1388 16.1847 16.8503 16.9206 17.6438 17.6533 18.2919 18.3060 k = 0.0000 0.0000 0.0999 ( 2279 PWs) bands (ev): -52.9114 -52.9114 -52.9002 -52.9002 -25.8139 -25.8130 -25.7658 -25.7656 -17.2306 -17.2228 -17.1128 -17.1055 -17.0660 -17.0617 -16.9757 -16.9688 1.2296 1.2312 3.7545 3.7967 8.2304 8.2666 11.9800 12.0096 12.6075 12.6581 12.7286 12.7638 12.8833 12.8998 13.1539 13.2811 13.5445 13.5941 13.7587 13.8057 16.1068 16.1643 16.8088 16.8942 17.6580 17.6692 18.2626 18.2650 k = 0.0000 0.0000 0.1199 ( 2279 PWs) bands (ev): -52.9113 -52.9113 -52.9002 -52.9002 -25.8142 -25.8130 -25.7661 -25.7659 -17.2313 -17.2220 -17.1147 -17.1059 -17.0676 -17.0623 -16.9770 -16.9687 1.2472 1.2491 3.7573 3.8075 8.2378 8.2810 11.9361 11.9698 12.5868 12.6371 12.7163 12.7496 12.8616 12.8905 13.1174 13.2535 13.5700 13.5969 13.7771 13.8430 16.0693 16.1385 16.7608 16.8601 17.6758 17.6883 18.2173 18.2350 k = 0.0000 0.0000 0.1399 ( 2283 PWs) bands (ev): -52.9112 -52.9112 -52.9002 -52.9002 -25.8145 -25.8132 -25.7666 -25.7664 -17.2321 -17.2211 -17.1168 -17.1065 -17.0694 -17.0632 -16.9783 -16.9688 1.2679 1.2702 3.7613 3.8193 8.2474 8.2973 11.8878 11.9252 12.5630 12.6117 12.6935 12.7272 12.8284 12.8730 13.0893 13.2335 13.5990 13.6040 13.7998 13.8832 16.0267 16.1078 16.7066 16.8187 17.6971 17.7104 18.1710 18.2020 k = 0.0000 0.0000 0.1599 ( 2291 PWs) bands (ev): -52.9111 -52.9111 -52.9001 -52.9001 -25.8149 -25.8134 -25.7672 -25.7669 -17.2329 -17.2203 -17.1191 -17.1074 -17.0715 -17.0642 -16.9799 -16.9690 1.2917 1.2944 3.7664 3.8321 8.2593 8.3158 11.8355 11.8763 12.5366 12.5839 12.6569 12.6946 12.7839 12.8442 13.0741 13.2230 13.6171 13.6318 13.8265 13.9252 15.9795 16.0727 16.6466 16.7705 17.7217 17.7352 18.1241 18.1665 k = 0.0000 0.0000 0.1799 ( 2287 PWs) bands (ev): -52.9110 -52.9110 -52.9001 -52.9001 -25.8152 -25.8135 -25.7677 -25.7674 -17.2337 -17.2194 -17.1215 -17.1084 -17.0736 -17.0654 -16.9814 -16.9692 1.3185 1.3217 3.7727 3.8458 8.2735 8.3364 11.7796 11.8234 12.5078 12.5542 12.6072 12.6515 12.7293 12.8015 13.0733 13.2220 13.6368 13.6687 13.8566 13.9685 15.9287 16.0340 16.5814 16.7162 17.7495 17.7625 18.0765 18.1288 k = 0.0000 0.0000 0.1999 ( 2285 PWs) bands (ev): -52.9108 -52.9108 -52.9000 -52.9000 -25.8156 -25.8137 -25.7683 -25.7680 -17.2344 -17.2185 -17.1241 -17.1097 -17.0759 -17.0667 -16.9829 -16.9695 1.3484 1.3521 3.7800 3.8602 8.2902 8.3591 11.7203 11.7668 12.4762 12.5218 12.5485 12.5989 12.6666 12.7457 13.0844 13.2294 13.6628 13.7091 13.8899 14.0128 15.8751 15.9927 16.5115 16.6565 17.7801 17.7918 18.0285 18.0892 k = 0.0000 0.0000 0.2198 ( 2285 PWs) bands (ev): -52.9107 -52.9107 -52.8999 -52.8999 -25.8160 -25.8140 -25.7690 -25.7686 -17.2352 -17.2176 -17.1268 -17.1111 -17.0785 -17.0681 -16.9846 -16.9700 1.3812 1.3854 3.7884 3.8754 8.3094 8.3841 11.6576 11.7066 12.4408 12.4732 12.4975 12.5387 12.5988 12.6793 13.1036 13.2432 13.6943 13.7526 13.9261 14.0577 15.8195 15.9499 16.4375 16.5921 17.8131 17.8228 17.9800 18.0481 k = 0.0000 0.0000 0.2398 ( 2281 PWs) bands (ev): -52.9105 -52.9105 -52.8998 -52.8998 -25.8164 -25.8142 -25.7697 -25.7693 -17.2359 -17.2167 -17.1298 -17.1127 -17.0811 -17.0696 -16.9863 -16.9705 1.4169 1.4217 3.7978 3.8911 8.3312 8.4115 11.5916 11.6426 12.3990 12.4032 12.4616 12.4721 12.5305 12.6052 13.1280 13.2615 13.7301 13.7982 13.9651 14.1029 15.7631 15.9066 16.3602 16.5239 17.8479 17.8547 17.9314 18.0058 k = 0.0000 0.0000 0.2598 ( 2281 PWs) bands (ev): -52.9103 -52.9103 -52.8998 -52.8998 -25.8169 -25.8146 -25.7705 -25.7700 -17.2368 -17.2158 -17.1328 -17.1146 -17.0840 -17.0713 -16.9881 -16.9712 1.4554 1.4609 3.8080 3.9074 8.3556 8.4411 11.5222 11.5748 12.3285 12.3466 12.4002 12.4251 12.4682 12.5263 13.1556 13.2829 13.7690 13.8450 14.0068 14.1481 15.7070 15.8640 16.2804 16.4526 17.8741 17.8837 17.8957 17.9629 k = 0.0000 0.0000 0.2798 ( 2285 PWs) bands (ev): -52.9102 -52.9102 -52.8997 -52.8997 -25.8175 -25.8150 -25.7713 -25.7708 -17.2377 -17.2150 -17.1362 -17.1166 -17.0870 -17.0731 -16.9900 -16.9720 1.4966 1.5028 3.8191 3.9241 8.3829 8.4732 11.4492 11.5029 12.2521 12.2788 12.3267 12.3824 12.4158 12.4483 13.1850 13.3060 13.8101 13.8920 14.0513 14.1930 15.6524 15.8233 16.1991 16.3792 17.8288 17.9087 17.9250 17.9313 k = 0.0000 0.0000 0.2998 ( 2289 PWs) bands (ev): -52.9100 -52.9100 -52.8996 -52.8996 -25.8181 -25.8154 -25.7722 -25.7717 -17.2386 -17.2141 -17.1396 -17.1188 -17.0902 -17.0751 -16.9920 -16.9729 1.5406 1.5475 3.8309 3.9410 8.4130 8.5077 11.3728 11.4268 12.1750 12.1957 12.2560 12.3212 12.3711 12.3851 13.2154 13.3297 13.8522 13.9384 14.0984 14.2373 15.6003 15.7856 16.1174 16.3043 17.7784 17.8704 17.9594 17.9629 k = 0.0000 0.0000 0.3198 ( 2285 PWs) bands (ev): -52.9098 -52.9098 -52.8995 -52.8995 -25.8185 -25.8157 -25.7732 -25.7726 -17.2394 -17.2131 -17.1430 -17.1211 -17.0935 -17.0770 -16.9940 -16.9739 1.5870 1.5948 3.8433 3.9582 8.4460 8.5448 11.2929 11.3466 12.0972 12.1034 12.1879 12.2411 12.3302 12.3393 13.2460 13.3531 13.8944 13.9836 14.1478 14.2806 15.5522 15.7517 16.0364 16.2290 17.7272 17.8251 17.9945 18.0013 k = 0.0000 0.0000 0.3398 ( 2295 PWs) bands (ev): -52.9096 -52.9096 -52.8994 -52.8994 -25.8191 -25.8161 -25.7743 -25.7737 -17.2404 -17.2122 -17.1468 -17.1237 -17.0971 -17.0792 -16.9961 -16.9751 1.6360 1.6447 3.8564 3.9754 8.4819 8.5843 11.2095 11.2624 12.0060 12.0174 12.1219 12.1568 12.2907 12.2986 13.2762 13.3754 13.9358 14.0271 14.1987 14.3225 15.5093 15.7221 15.9580 16.1539 17.6757 17.7789 18.0298 18.0403 k = 0.0000 0.0000 0.3597 ( 2295 PWs) bands (ev): -52.9094 -52.9094 -52.8993 -52.8993 -25.8197 -25.8165 -25.7754 -25.7747 -17.2413 -17.2112 -17.1506 -17.1264 -17.1007 -17.0813 -16.9982 -16.9763 1.6873 1.6970 3.8699 3.9926 8.5208 8.6264 11.1229 11.1743 11.9059 11.9337 12.0586 12.0760 12.2515 12.2586 13.3055 13.3956 13.9754 14.0691 14.2501 14.3627 15.4729 15.6960 15.8851 16.0798 17.6240 17.7322 18.0651 18.0793 k = 0.0000 0.0000 0.3797 ( 2299 PWs) bands (ev): -52.9092 -52.9092 -52.8992 -52.8992 -25.8203 -25.8170 -25.7766 -25.7758 -17.2424 -17.2103 -17.1545 -17.1292 -17.1044 -17.0834 -17.0005 -16.9776 1.7410 1.7516 3.8839 4.0097 8.5628 8.6711 11.0334 11.0829 11.8043 11.8446 11.9982 12.0025 12.2117 12.2179 13.3332 13.4130 14.0125 14.1094 14.3008 14.4006 15.4445 15.6700 15.8231 16.0075 17.5724 17.6852 18.1004 18.1182 k = 0.0000 0.0000 0.3997 ( 2302 PWs) bands (ev): -52.9089 -52.9089 -52.8991 -52.8991 -25.8209 -25.8175 -25.7777 -25.7769 -17.2434 -17.2093 -17.1585 -17.1321 -17.1081 -17.0856 -17.0027 -16.9789 1.7967 1.8085 3.8981 4.0265 8.6077 8.7183 10.9414 10.9887 11.7020 11.7501 11.9372 11.9410 12.1711 12.1762 13.3586 13.4267 14.0466 14.1483 14.3496 14.4358 15.4251 15.6366 15.7816 15.9379 17.5210 17.6381 18.1354 18.1566 k = 0.0000 0.0000 0.4197 ( 2302 PWs) bands (ev): -52.9087 -52.9087 -52.8990 -52.8990 -25.8215 -25.8180 -25.7789 -25.7780 -17.2445 -17.2084 -17.1626 -17.1352 -17.1120 -17.0877 -17.0049 -16.9804 1.8546 1.8674 3.9126 4.0430 8.6557 8.7679 10.8473 10.8922 11.6000 11.6518 11.8791 11.8871 12.1295 12.1334 13.3811 13.4360 14.0771 14.1855 14.3955 14.4677 15.4157 15.5914 15.7667 15.8721 17.4704 17.5910 18.1703 18.1946 k = 0.0000 0.0000 0.4397 ( 2306 PWs) bands (ev): -52.9084 -52.9084 -52.8989 -52.8989 -25.8222 -25.8185 -25.7801 -25.7792 -17.2457 -17.2075 -17.1668 -17.1384 -17.1159 -17.0898 -17.0073 -16.9819 1.9143 1.9283 3.9273 4.0591 8.7065 8.8200 10.7518 10.7941 11.4987 11.5514 11.8272 11.8365 12.0867 12.0893 13.4000 13.4402 14.1038 14.2204 14.4382 14.4958 15.4161 15.5406 15.7740 15.8116 17.4207 17.5443 18.2047 18.2319 k = 0.0000 0.0000 0.4597 ( 2300 PWs) bands (ev): -52.9081 -52.9081 -52.8988 -52.8988 -25.8228 -25.8190 -25.7813 -25.7803 -17.2469 -17.2065 -17.1710 -17.1416 -17.1197 -17.0919 -17.0096 -16.9835 1.9758 1.9911 3.9420 4.0746 8.7601 8.8744 10.6553 10.6951 11.3988 11.4503 11.7803 11.7891 12.0427 12.0439 13.4144 13.4388 14.1267 14.2524 14.4781 14.5193 15.4243 15.4917 15.7593 15.7973 17.3725 17.4983 18.2387 18.2685 k = 0.0000 0.0000 0.4797 ( 2300 PWs) bands (ev): -52.9079 -52.9079 -52.8986 -52.8986 -25.8234 -25.8195 -25.7826 -25.7816 -17.2482 -17.2056 -17.1753 -17.1450 -17.1237 -17.0939 -17.0119 -16.9852 2.0389 2.0556 3.9567 4.0896 8.8164 8.9310 10.5584 10.5957 11.3008 11.3495 11.7377 11.7449 11.9972 11.9974 13.4235 13.4313 14.1460 14.2802 14.5164 14.5377 15.4352 15.4492 15.7205 15.8332 17.3262 17.4532 18.2722 18.3043 k = 0.0000 0.0000 0.4997 ( 2298 PWs) bands (ev): -52.9076 -52.9076 -52.8985 -52.8985 -25.8239 -25.8200 -25.7839 -25.7828 -17.2495 -17.2047 -17.1797 -17.1484 -17.1276 -17.0959 -17.0144 -16.9870 2.1034 2.1215 3.9713 4.1039 8.8752 8.9896 10.4616 10.4966 11.2053 11.2499 11.6988 11.7035 11.9493 11.9509 13.4175 13.4268 14.1620 14.3028 14.5504 14.5547 15.4157 15.4393 15.7041 15.8799 17.2824 17.4096 18.3050 18.3392 k = 0.0000 0.0000 0.5196 ( 2294 PWs) bands (ev): -52.9073 -52.9073 -52.8983 -52.8983 -25.8245 -25.8204 -25.7852 -25.7841 -17.2509 -17.2038 -17.1840 -17.1519 -17.1315 -17.0978 -17.0168 -16.9888 2.1693 2.1889 3.9857 4.1174 8.9362 9.0500 10.3655 10.3982 11.1128 11.1522 11.6633 11.6649 11.9003 11.9031 13.3975 13.4235 14.1752 14.3194 14.5571 14.5944 15.3930 15.4279 15.7178 15.9360 17.2415 17.3679 18.3371 18.3731 k = 0.0000 0.0000 0.5396 ( 2294 PWs) bands (ev): -52.9070 -52.9070 -52.8982 -52.8982 -25.8251 -25.8210 -25.7866 -25.7854 -17.2523 -17.2031 -17.1885 -17.1555 -17.1354 -17.0996 -17.0193 -16.9907 2.2364 2.2574 3.9999 4.1301 8.9991 9.1118 10.2705 10.3011 11.0240 11.0572 11.6290 11.6306 11.8503 11.8542 13.3712 13.4132 14.1860 14.3303 14.5576 14.6358 15.3819 15.4024 15.7592 16.0002 17.2040 17.3284 18.3683 18.4059 k = 0.0000 0.0000 0.5596 ( 2290 PWs) bands (ev): -52.9067 -52.9067 -52.8981 -52.8980 -25.8256 -25.8214 -25.7880 -25.7867 -17.2538 -17.2023 -17.1929 -17.1590 -17.1392 -17.1013 -17.0218 -16.9926 2.3044 2.3270 4.0137 4.1419 9.0633 9.1746 10.1772 10.2056 10.9395 10.9656 11.5954 11.6006 11.7993 11.8043 13.3391 13.3956 14.1950 14.3364 14.5521 14.6779 15.3706 15.3827 15.8200 16.0716 17.1706 17.2918 18.3986 18.4375 k = 0.0000 0.0000 0.5796 ( 2294 PWs) bands (ev): -52.9064 -52.9064 -52.8979 -52.8979 -25.8263 -25.8220 -25.7894 -25.7881 -17.2555 -17.2018 -17.1974 -17.1628 -17.1429 -17.1029 -17.0244 -16.9946 2.3731 2.3973 4.0271 4.1528 9.1284 9.2379 10.0860 10.1124 10.8600 10.8779 11.5640 11.5731 11.7477 11.7533 13.3014 13.3708 14.2028 14.3390 14.5412 14.7183 15.3396 15.3950 15.8933 16.1490 17.1415 17.2585 18.4278 18.4677 k = 0.0000 0.0000 0.5996 ( 2296 PWs) bands (ev): -52.9061 -52.9061 -52.8978 -52.8978 -25.8270 -25.8226 -25.7909 -25.7894 -17.2572 -17.2020 -17.2014 -17.1665 -17.1464 -17.1044 -17.0270 -16.9967 2.4425 2.4683 4.0401 4.1628 9.1936 9.3010 9.9973 10.0216 10.7862 10.7950 11.5347 11.5477 11.6955 11.7016 13.2586 13.3389 14.2098 14.3393 14.5257 14.7533 15.3155 15.4182 15.9749 16.2314 17.1174 17.2288 18.4558 18.4964 k = 0.0000 0.0000 0.6196 ( 2288 PWs) bands (ev): -52.9058 -52.9058 -52.8977 -52.8977 -25.8275 -25.8230 -25.7923 -25.7908 -17.2590 -17.2064 -17.2012 -17.1701 -17.1496 -17.1057 -17.0295 -16.9988 2.5123 2.5397 4.0525 4.1717 9.2580 9.3631 9.9115 9.9338 10.7178 10.7193 11.5073 11.5244 11.6430 11.6492 13.2112 13.3005 14.2163 14.3383 14.5063 14.7778 15.3039 15.4513 16.0623 16.3179 17.0986 17.2034 18.4826 18.5234 k = 0.0000 0.0000 0.6396 ( 2288 PWs) bands (ev): -52.9055 -52.9055 -52.8975 -52.8975 -25.8281 -25.8235 -25.7937 -25.7921 -17.2608 -17.2109 -17.2012 -17.1739 -17.1526 -17.1070 -17.0321 -17.0010 2.5823 2.6113 4.0643 4.1796 9.3203 9.4231 9.8292 9.8492 10.6474 10.6602 11.4815 11.5029 11.5905 11.5963 13.1598 13.2561 14.2225 14.3371 14.4837 14.7872 15.3096 15.4931 16.1535 16.4076 17.0852 17.1825 18.5081 18.5485 k = 0.0000 0.0000 0.6595 ( 2288 PWs) bands (ev): -52.9051 -52.9051 -52.8974 -52.8974 -25.8287 -25.8240 -25.7952 -25.7935 -17.2628 -17.2153 -17.2015 -17.1776 -17.1552 -17.1080 -17.0347 -17.0032 2.6522 2.6828 4.0755 4.1865 9.3790 9.4793 9.7507 9.7683 10.5850 10.6104 11.4570 11.4830 11.5383 11.5432 13.1050 13.2066 14.2284 14.3361 14.4589 14.7792 15.3351 15.5428 16.2471 16.4995 17.0776 17.1664 18.5322 18.5716 k = 0.0000 0.0000 0.6795 ( 2300 PWs) bands (ev): -52.9049 -52.9049 -52.8973 -52.8973 -25.8293 -25.8246 -25.7968 -25.7951 -17.2648 -17.2199 -17.2022 -17.1814 -17.1576 -17.1090 -17.0375 -17.0055 2.7219 2.7541 4.0860 4.1924 9.4319 9.5299 9.6770 9.6916 10.5320 10.5712 11.4331 11.4644 11.4868 11.4907 13.0471 13.1526 14.2336 14.3358 14.4328 14.7551 15.3786 15.5994 16.3419 16.5928 17.0759 17.1553 18.5549 18.5925 k = 0.0000 0.0000 0.6995 ( 2292 PWs) bands (ev): -52.9045 -52.9045 -52.8972 -52.8972 -25.8298 -25.8251 -25.7982 -25.7964 -17.2668 -17.2242 -17.2031 -17.1851 -17.1594 -17.1097 -17.0401 -17.0078 2.7912 2.8249 4.0957 4.1971 9.4752 9.5698 9.6105 9.6224 10.4902 10.5444 11.4076 11.4354 11.4410 11.4480 12.9869 13.0950 14.2371 14.3365 14.4071 14.7189 15.4365 15.6621 16.4367 16.6867 17.0803 17.1497 18.5762 18.6111 k = 0.0000 0.0000 0.7195 ( 2296 PWs) bands (ev): -52.9042 -52.9042 -52.8971 -52.8971 -25.8304 -25.8257 -25.7996 -25.7978 -17.2689 -17.2287 -17.2044 -17.1889 -17.1608 -17.1104 -17.0428 -17.0101 2.8598 2.8950 4.1046 4.2008 9.4936 9.5432 9.5649 9.6147 10.4608 10.5313 11.3709 11.3867 11.4039 11.4316 12.9248 13.0346 14.2366 14.3383 14.3845 14.6744 15.5050 15.7302 16.5305 16.7800 17.0909 17.1497 18.5961 18.6273 k = 0.0000 0.0000 0.7395 ( 2292 PWs) bands (ev): -52.9039 -52.9039 -52.8970 -52.8970 -25.8309 -25.8261 -25.8010 -25.7991 -17.2710 -17.2330 -17.2060 -17.1926 -17.1616 -17.1108 -17.0454 -17.0124 2.9276 2.9641 4.1127 4.2035 9.4585 9.4809 9.5681 9.6366 10.4448 10.5325 11.3223 11.3399 11.3800 11.4163 12.8613 12.9723 14.2288 14.3413 14.3687 14.6245 15.5813 15.8031 16.6223 16.8718 17.1078 17.1557 18.6146 18.6411 k = 0.0000 0.0000 0.7595 ( 2304 PWs) bands (ev): -52.9036 -52.9036 -52.8969 -52.8969 -25.8315 -25.8267 -25.8026 -25.8006 -17.2732 -17.2373 -17.2082 -17.1964 -17.1622 -17.1113 -17.0482 -17.0149 2.9942 3.0320 4.1199 4.2051 9.4068 9.4215 9.5830 9.6489 10.4416 10.5478 11.2718 11.2961 11.3598 11.4018 12.7969 12.9086 14.2113 14.3454 14.3626 14.5714 15.6633 15.8802 16.7109 16.9601 17.1312 17.1687 18.6318 18.6524 k = 0.0000 0.0000 0.7795 ( 2300 PWs) bands (ev): -52.9033 -52.9033 -52.8968 -52.8968 -25.8320 -25.8271 -25.8040 -25.8019 -17.2754 -17.2414 -17.2104 -17.2000 -17.1622 -17.1115 -17.0509 -17.0173 3.0595 3.0984 4.1262 4.2057 9.3567 9.3667 9.5923 9.6512 10.4489 10.5755 11.2223 11.2564 11.3407 11.3880 12.7322 12.8445 14.1851 14.3504 14.3657 14.5168 15.7497 15.9611 16.7953 17.0419 17.1612 17.1909 18.6478 18.6614 k = 0.0000 0.0000 0.7994 ( 2300 PWs) bands (ev): -52.9029 -52.9029 -52.8967 -52.8967 -25.8324 -25.8276 -25.8055 -25.8033 -17.2776 -17.2455 -17.2128 -17.2036 -17.1620 -17.1115 -17.0536 -17.0197 3.1234 3.1632 4.1316 4.2053 9.3109 9.3167 9.5952 9.6452 10.4631 10.6126 11.1755 11.2221 11.3220 11.3748 12.6675 12.7805 14.1533 14.3558 14.3753 14.4625 15.8396 16.0453 16.8745 17.1110 17.1979 17.2277 18.6626 18.6681 k = 0.0000 0.0000 0.8194 ( 2300 PWs) bands (ev): -52.9026 -52.9026 -52.8966 -52.8966 -25.8329 -25.8280 -25.8069 -25.8046 -17.2798 -17.2495 -17.2154 -17.2072 -17.1615 -17.1114 -17.0562 -17.0221 3.1855 3.2261 4.1361 4.2040 9.2702 9.2719 9.5930 9.6333 10.4796 10.6546 11.1338 11.1944 11.3033 11.3623 12.6035 12.7174 14.1185 14.3583 14.3889 14.4121 15.9322 16.1323 16.9479 17.1623 17.2409 17.2832 18.6725 18.6762 k = 0.0000 0.0000 0.8394 ( 2298 PWs) bands (ev): -52.9023 -52.9023 -52.8965 -52.8965 -25.8333 -25.8284 -25.8083 -25.8059 -17.2819 -17.2534 -17.2181 -17.2106 -17.1607 -17.1112 -17.0589 -17.0245 3.2457 3.2869 4.1397 4.2018 9.2322 9.2349 9.5876 9.6180 10.4936 10.6951 11.1009 11.1743 11.2843 11.3513 12.5407 12.6557 14.0827 14.3379 14.3865 14.4051 16.0270 16.2219 17.0156 17.2017 17.2894 17.3510 18.6748 18.6888 k = 0.0000 0.0000 0.8594 ( 2298 PWs) bands (ev): -52.9020 -52.9020 -52.8964 -52.8964 -25.8336 -25.8287 -25.8097 -25.8073 -17.2841 -17.2572 -17.2209 -17.2140 -17.1597 -17.1108 -17.0616 -17.0270 3.3039 3.3455 4.1423 4.1987 9.1979 9.2052 9.5805 9.6013 10.5013 10.7257 11.0829 11.1617 11.2651 11.3430 12.4795 12.5963 14.0470 14.2915 14.3889 14.4228 16.1235 16.3135 17.0782 17.2375 17.3420 17.4219 18.6752 18.7002 k = 0.0000 0.0000 0.8794 ( 2298 PWs) bands (ev): -52.9017 -52.9017 -52.8963 -52.8963 -25.8339 -25.8290 -25.8111 -25.8086 -17.2862 -17.2610 -17.2236 -17.2173 -17.1586 -17.1103 -17.0643 -17.0294 3.3599 3.4016 4.1440 4.1948 9.1689 9.1812 9.5732 9.5848 10.4999 10.7372 11.0856 11.1541 11.2464 11.3400 12.4207 12.5396 14.0124 14.2426 14.3962 14.4414 16.2214 16.4070 17.1370 17.2736 17.3968 17.4915 18.6737 18.7105 k = 0.0000 0.0000 0.8994 ( 2298 PWs) bands (ev): -52.9014 -52.9014 -52.8963 -52.8963 -25.8343 -25.8294 -25.8124 -25.8099 -17.2883 -17.2646 -17.2263 -17.2205 -17.1573 -17.1096 -17.0670 -17.0319 3.4136 3.4552 4.1447 4.1902 9.1452 9.1630 9.5669 9.5698 10.4888 10.7267 11.1066 11.1466 11.2317 11.3461 12.3649 12.4864 13.9797 14.1954 14.4041 14.4602 16.3204 16.5018 17.1933 17.3111 17.4523 17.5581 18.6704 18.7197 k = 0.0000 0.0000 0.9194 ( 2310 PWs) bands (ev): -52.9011 -52.9011 -52.8963 -52.8963 -25.8347 -25.8298 -25.8138 -25.8112 -17.2904 -17.2682 -17.2291 -17.2237 -17.1560 -17.1090 -17.0698 -17.0344 3.4648 3.5060 4.1446 4.1849 9.1268 9.1506 9.5570 9.5624 10.4685 10.6991 11.1259 11.1340 11.2341 11.3640 12.3125 12.4371 13.9493 14.1509 14.4117 14.4786 16.4200 16.5978 17.2481 17.3504 17.5069 17.6211 18.6657 18.7280 k = 0.0000 0.0000 0.9393 ( 2314 PWs) bands (ev): -52.9009 -52.9009 -52.8962 -52.8962 -25.8349 -25.8301 -25.8152 -25.8125 -17.2924 -17.2716 -17.2318 -17.2267 -17.1545 -17.1082 -17.0725 -17.0370 3.5135 3.5541 4.1436 4.1789 9.1137 9.1438 9.5472 9.5603 10.4408 10.6612 11.1134 11.1196 11.2695 11.3938 12.2643 12.3922 13.9218 14.1096 14.4184 14.4961 16.5201 16.6945 17.3021 17.3914 17.5601 17.6806 18.6599 18.7355 k = 0.0000 0.0000 0.9593 ( 2314 PWs) bands (ev): -52.9006 -52.9006 -52.8962 -52.8962 -25.8351 -25.8303 -25.8165 -25.8137 -17.2943 -17.2748 -17.2343 -17.2296 -17.1530 -17.1072 -17.0752 -17.0394 3.5597 3.5994 4.1417 4.1723 9.1058 9.1426 9.5407 9.5610 10.4072 10.6175 11.0847 11.0941 11.3254 11.4329 12.2205 12.3519 13.8977 14.0719 14.4236 14.5120 16.6203 16.7918 17.3559 17.4340 17.6114 17.7368 18.6536 18.7425 k = 0.0000 0.0000 0.9793 ( 2310 PWs) bands (ev): -52.9003 -52.9003 -52.8961 -52.8961 -25.8353 -25.8305 -25.8177 -25.8148 -17.2960 -17.2779 -17.2367 -17.2324 -17.1513 -17.1062 -17.0777 -17.0418 3.6032 3.6418 4.1390 4.1653 9.1028 9.1469 9.5378 9.5649 10.3693 10.5704 11.0488 11.0594 11.3884 11.4781 12.1818 12.3163 13.8775 14.0381 14.4269 14.5255 16.7204 16.8892 17.4096 17.4777 17.6610 17.7905 18.6475 18.7495 k = 0.0000 0.0000 0.9993 ( 2308 PWs) bands (ev): -52.9000 -52.9000 -52.8961 -52.8961 -25.8354 -25.8306 -25.8189 -25.8159 -17.2977 -17.2809 -17.2390 -17.2350 -17.1495 -17.1050 -17.0804 -17.0443 3.6442 3.6814 4.1356 4.1577 9.1048 9.1564 9.5387 9.5723 10.3283 10.5215 11.0068 11.0187 11.4529 11.5266 12.1481 12.2855 13.8613 14.0083 14.4276 14.5361 16.8200 16.9864 17.4634 17.5224 17.7092 17.8421 18.6425 18.7570 k = 0.0000 0.0000 1.0193 ( 2308 PWs) bands (ev): -52.8997 -52.8997 -52.8961 -52.8961 -25.8355 -25.8307 -25.8200 -25.8169 -17.2993 -17.2838 -17.2412 -17.2375 -17.1477 -17.1037 -17.0830 -17.0467 3.6826 3.7182 4.1313 4.1498 9.1113 9.1709 9.5435 9.5831 10.2853 10.4714 10.9594 10.9731 11.5164 11.5765 12.1195 12.2591 13.8496 13.9826 14.4254 14.5431 16.9191 17.0832 17.5174 17.5676 17.7564 17.8924 18.6395 18.7658 k = 0.0000 0.0000 1.0393 ( 2308 PWs) bands (ev): -52.8995 -52.8995 -52.8961 -52.8961 -25.8355 -25.8308 -25.8212 -25.8180 -17.3008 -17.2864 -17.2433 -17.2398 -17.1459 -17.1024 -17.0856 -17.0492 3.7185 3.7523 4.1264 4.1415 9.1223 9.1902 9.5520 9.5976 10.2411 10.4207 10.9076 10.9233 11.5778 11.6265 12.0960 12.2368 13.8426 13.9613 14.4198 14.5459 17.0172 17.1791 17.5716 17.6132 17.8032 17.9421 18.6397 18.7765 k = 0.0000 0.0000 1.0593 ( 2312 PWs) bands (ev): -52.8992 -52.8992 -52.8961 -52.8961 -25.8355 -25.8308 -25.8224 -25.8191 -17.3022 -17.2890 -17.2453 -17.2421 -17.1439 -17.1010 -17.0883 -17.0516 3.7519 3.7838 4.1208 4.1329 9.1375 9.2139 9.5641 9.6157 10.1962 10.3696 10.8520 10.8698 11.6359 11.6753 12.0771 12.2181 13.8403 13.9444 14.4105 14.5439 17.1141 17.2738 17.6263 17.6590 17.8497 17.9917 18.6442 18.7899 k = 0.0000 0.0000 1.0792 ( 2312 PWs) bands (ev): -52.8990 -52.8990 -52.8961 -52.8961 -25.8355 -25.8308 -25.8234 -25.8201 -17.3034 -17.2914 -17.2471 -17.2441 -17.1420 -17.0995 -17.0909 -17.0541 3.7830 3.8128 4.1145 4.1241 9.1566 9.2418 9.5795 9.6373 10.1514 10.3184 10.7932 10.8131 11.6903 11.7224 12.0625 12.2024 13.8430 13.9320 14.3973 14.5368 17.2097 17.3671 17.6815 17.7051 17.8962 18.0413 18.6539 18.8057 k = 0.0000 0.0000 1.0992 ( 2310 PWs) bands (ev): -52.8988 -52.8988 -52.8961 -52.8961 -25.8354 -25.8308 -25.8244 -25.8210 -17.3045 -17.2936 -17.2487 -17.2460 -17.1400 -17.0980 -17.0934 -17.0564 3.8119 3.8394 4.1076 4.1151 9.1793 9.2734 9.5978 9.6624 10.1073 10.2673 10.7320 10.7537 11.7405 11.7673 12.0517 12.1891 13.8508 13.9241 14.3802 14.5242 17.3036 17.4584 17.7375 17.7515 17.9423 18.0906 18.6695 18.8155 k = 0.0000 0.0000 1.1192 ( 2312 PWs) bands (ev): -52.8985 -52.8985 -52.8962 -52.8962 -25.8354 -25.8308 -25.8253 -25.8219 -17.3054 -17.2958 -17.2502 -17.2478 -17.1380 -17.0964 -17.0959 -17.0588 3.8386 3.8638 4.1001 4.1058 9.2054 9.3084 9.6180 9.6906 10.0650 10.2165 10.6691 10.6924 11.7864 11.8096 12.0439 12.1775 13.8635 13.9207 14.3592 14.5060 17.3958 17.5473 17.7945 17.7982 17.9875 18.1391 18.6909 18.7801 k = 0.0000 0.0000 1.1392 ( 2312 PWs) bands (ev): -52.8983 -52.8983 -52.8962 -52.8962 -25.8352 -25.8307 -25.8263 -25.8228 -17.3063 -17.2977 -17.2515 -17.2494 -17.1359 -17.0985 -17.0947 -17.0612 3.8634 3.8862 4.0921 4.0964 9.2345 9.3465 9.6389 9.7217 10.0257 10.1664 10.6049 10.6296 11.8277 11.8492 12.0387 12.1671 13.8811 13.9218 14.3346 14.4825 17.4860 17.6333 17.8454 17.8524 18.0307 18.1857 18.7164 18.7274 k = 0.0000 0.0000 1.1592 ( 2308 PWs) bands (ev): -52.8981 -52.8981 -52.8962 -52.8962 -25.8349 -25.8304 -25.8272 -25.8236 -17.3069 -17.2994 -17.2527 -17.2507 -17.1338 -17.1010 -17.0929 -17.0635 3.8863 3.9067 4.0835 4.0868 9.2663 9.3871 9.6581 9.7550 9.9920 10.1175 10.5401 10.5658 11.8644 11.8861 12.0352 12.1573 13.9034 13.9272 14.3067 14.4538 17.5740 17.7158 17.8929 17.9108 18.0707 18.2289 18.6725 18.7382 k = 0.0000 0.0000 1.1792 ( 2302 PWs) bands (ev): -52.8979 -52.8979 -52.8963 -52.8963 -25.8347 -25.8302 -25.8279 -25.8243 -17.3074 -17.3010 -17.2536 -17.2520 -17.1316 -17.1034 -17.0910 -17.0657 3.9075 3.9255 4.0744 4.0770 9.3005 9.4301 9.6719 9.7889 9.9675 10.0713 10.4753 10.5017 11.8968 11.9201 12.0330 12.1476 13.9303 13.9370 14.2761 14.4205 17.6596 17.7939 17.9403 17.9694 18.1059 18.2676 18.6167 18.7359 k = 0.0000 0.0000 1.1992 ( 2298 PWs) bands (ev): -52.8977 -52.8977 -52.8963 -52.8963 -25.8343 -25.8299 -25.8288 -25.8250 -17.3077 -17.3024 -17.2544 -17.2531 -17.1293 -17.1059 -17.0891 -17.0680 3.9272 3.9429 4.0647 4.0671 9.3368 9.4749 9.6753 9.8200 9.9569 10.0311 10.4109 10.4376 11.9248 11.9513 12.0312 12.1375 13.9509 13.9614 14.2435 14.3832 17.7423 17.8665 17.9867 18.0269 18.1345 18.3007 18.5606 18.7030 k = 0.0000 0.0000 1.2191 ( 2298 PWs) bands (ev): -52.8975 -52.8975 -52.8964 -52.8964 -25.8340 -25.8296 -25.8295 -25.8257 -17.3079 -17.3037 -17.2551 -17.2540 -17.1271 -17.1083 -17.0872 -17.0703 3.9454 3.9589 4.0544 4.0569 9.3747 9.5213 9.6652 9.8391 9.9636 10.0060 10.3475 10.3742 11.9487 11.9799 12.0293 12.1266 13.9688 13.9962 14.2095 14.3425 17.8217 17.9324 18.0303 18.0815 18.1553 18.3288 18.5046 18.6564 k = 0.0000 0.0000 1.2391 ( 2296 PWs) bands (ev): -52.8973 -52.8973 -52.8965 -52.8965 -25.8336 -25.8302 -25.8293 -25.8263 -17.3080 -17.3048 -17.2555 -17.2547 -17.1248 -17.1107 -17.0852 -17.0725 3.9624 3.9737 4.0435 4.0465 9.4141 9.5688 9.6425 9.8325 9.9864 10.0096 10.2856 10.3118 11.9689 12.0058 12.0266 12.1146 13.9903 14.0344 14.1747 14.2994 17.8969 17.9901 18.0678 18.1263 18.1720 18.3540 18.4495 18.6052 k = 0.0000 0.0000 1.2591 ( 2306 PWs) bands (ev): -52.8972 -52.8972 -52.8967 -52.8967 -25.8332 -25.8310 -25.8290 -25.8270 -17.3080 -17.3059 -17.2559 -17.2554 -17.1226 -17.1132 -17.0832 -17.0748 3.9782 3.9876 4.0320 4.0357 9.4543 9.6111 9.6170 9.8018 10.0214 10.0402 10.2257 10.2509 11.9854 12.0227 12.0293 12.1012 14.0153 14.0754 14.1401 14.2546 17.9665 18.0382 18.0944 18.1377 18.2051 18.3807 18.3961 18.5528 k = 0.0000 0.0000 1.2791 ( 2302 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8327 -25.8316 -25.8285 -25.8275 -17.3077 -17.3066 -17.2560 -17.2557 -17.1203 -17.1156 -17.0811 -17.0769 3.9930 4.0006 4.0198 4.0245 9.4950 9.5746 9.6654 9.7598 10.0649 10.0848 10.1683 10.1922 11.9988 12.0170 12.0504 12.0862 14.0432 14.1062 14.1187 14.2090 18.0288 18.0750 18.1052 18.1185 18.2504 18.3455 18.4135 18.5016 k = 0.0000 0.0000 1.2991 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8321 -25.8321 -25.8280 -25.8280 -17.3072 -17.3072 -17.2559 -17.2559 -17.1179 -17.1179 -17.0790 -17.0790 4.0068 4.0068 4.0128 4.0128 9.5354 9.5354 9.7135 9.7135 10.1144 10.1144 10.1364 10.1364 12.0092 12.0092 12.0693 12.0693 14.0737 14.0737 14.1635 14.1635 18.0807 18.0807 18.0982 18.0982 18.2973 18.2973 18.4543 18.4543 k = 0.0000 0.0000 1.2991 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8321 -25.8321 -25.8280 -25.8280 -17.3072 -17.3072 -17.2559 -17.2559 -17.1179 -17.1179 -17.0790 -17.0790 4.0068 4.0068 4.0128 4.0128 9.5354 9.5354 9.7135 9.7135 10.1144 10.1144 10.1364 10.1364 12.0092 12.0092 12.0693 12.0693 14.0737 14.0737 14.1635 14.1635 18.0807 18.0807 18.0982 18.0982 18.2973 18.2973 18.4543 18.4543 k =-0.0072 0.0174 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8321 -25.8321 -25.8280 -25.8280 -17.3071 -17.3071 -17.2559 -17.2559 -17.1179 -17.1179 -17.0790 -17.0790 4.0062 4.0062 4.0127 4.0127 9.5341 9.5341 9.7108 9.7108 10.1148 10.1148 10.1402 10.1402 12.0096 12.0096 12.0703 12.0703 14.0731 14.0731 14.1628 14.1628 18.0693 18.0693 18.0983 18.0983 18.2973 18.2973 18.4523 18.4523 k =-0.0145 0.0348 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8321 -25.8321 -25.8280 -25.8280 -17.3069 -17.3069 -17.2556 -17.2556 -17.1179 -17.1179 -17.0790 -17.0790 4.0045 4.0045 4.0123 4.0123 9.5303 9.5303 9.7031 9.7031 10.1170 10.1170 10.1504 10.1504 12.0109 12.0109 12.0733 12.0733 14.0715 14.0715 14.1610 14.1610 18.0439 18.0439 18.0912 18.0912 18.2963 18.2963 18.4464 18.4464 k =-0.0217 0.0521 1.2991 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8319 -25.8319 -25.8278 -25.8278 -17.3065 -17.3065 -17.2552 -17.2552 -17.1178 -17.1178 -17.0789 -17.0789 4.0018 4.0018 4.0114 4.0114 9.5241 9.5241 9.6910 9.6910 10.1219 10.1219 10.1653 10.1653 12.0130 12.0130 12.0782 12.0782 14.0688 14.0688 14.1581 14.1581 18.0102 18.0102 18.0743 18.0743 18.2924 18.2924 18.4362 18.4362 k =-0.0290 0.0695 1.2991 ( 2294 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8317 -25.8317 -25.8276 -25.8276 -17.3060 -17.3060 -17.2546 -17.2546 -17.1177 -17.1177 -17.0787 -17.0787 3.9983 3.9983 4.0099 4.0099 9.5159 9.5159 9.6756 9.6756 10.1296 10.1296 10.1837 10.1837 12.0160 12.0160 12.0849 12.0849 14.0650 14.0650 14.1539 14.1539 17.9709 17.9709 18.0489 18.0489 18.2836 18.2836 18.4215 18.4215 k =-0.0362 0.0869 1.2991 ( 2296 PWs) bands (ev): -52.8970 -52.8970 -52.8970 -52.8970 -25.8316 -25.8316 -25.8275 -25.8275 -17.3054 -17.3054 -17.2539 -17.2539 -17.1177 -17.1177 -17.0785 -17.0785 3.9940 3.9940 4.0076 4.0076 9.5061 9.5061 9.6578 9.6578 10.1397 10.1397 10.2044 10.2044 12.0198 12.0198 12.0931 12.0931 14.0603 14.0603 14.1487 14.1487 17.9276 17.9276 18.0170 18.0170 18.2691 18.2691 18.4020 18.4020 k =-0.0435 0.1043 1.2991 ( 2300 PWs) bands (ev): -52.8971 -52.8971 -52.8971 -52.8971 -25.8314 -25.8314 -25.8273 -25.8273 -17.3046 -17.3046 -17.2531 -17.2531 -17.1176 -17.1176 -17.0783 -17.0783 3.9887 3.9887 4.0044 4.0044 9.4951 9.4951 9.6386 9.6386 10.1521 10.1521 10.2269 10.2269 12.0244 12.0244 12.1027 12.1027 14.0547 14.0547 14.1423 14.1423 17.8817 17.8817 17.9804 17.9804 18.2491 18.2491 18.3778 18.3778 k =-0.0435 0.1043 1.2991 ( 2300 PWs) bands (ev): -52.8971 -52.8971 -52.8971 -52.8971 -25.8314 -25.8314 -25.8273 -25.8273 -17.3046 -17.3046 -17.2531 -17.2531 -17.1176 -17.1176 -17.0783 -17.0783 3.9887 3.9887 4.0044 4.0044 9.4951 9.4951 9.6386 9.6386 10.1521 10.1521 10.2269 10.2269 12.0244 12.0244 12.1027 12.1027 14.0547 14.0547 14.1423 14.1423 17.8817 17.8817 17.9804 17.9804 18.2491 18.2491 18.3778 18.3778 k =-0.0489 0.1173 1.2850 ( 2306 PWs) bands (ev): -52.8972 -52.8972 -52.8970 -52.8970 -25.8316 -25.8309 -25.8275 -25.8268 -17.3043 -17.3036 -17.2524 -17.2523 -17.1192 -17.1159 -17.0797 -17.0767 3.9777 3.9855 4.0004 4.0075 9.4535 9.5184 9.5860 9.6620 10.1251 10.1938 10.2160 10.2814 12.0233 12.0320 12.1022 12.1185 14.0296 14.0710 14.1086 14.1659 17.8146 17.8590 17.9392 17.9753 18.2027 18.2553 18.3362 18.3792 k =-0.0543 0.1303 1.2709 ( 2304 PWs) bands (ev): -52.8974 -52.8974 -52.8970 -52.8970 -25.8318 -25.8302 -25.8276 -25.8262 -17.3039 -17.3024 -17.2516 -17.2512 -17.1207 -17.1141 -17.0808 -17.0750 3.9651 3.9760 4.0009 4.0104 9.4103 9.5227 9.5525 9.6866 10.0997 10.1860 10.2584 10.3374 12.0220 12.0383 12.1035 12.1329 14.0057 14.0767 14.0869 14.1879 17.7405 17.8064 17.9201 17.9713 18.1530 18.2473 18.3027 18.3780 k =-0.0598 0.1434 1.2567 ( 2302 PWs) bands (ev): -52.8975 -52.8975 -52.8969 -52.8969 -25.8318 -25.8296 -25.8276 -25.8256 -17.3032 -17.3010 -17.2505 -17.2499 -17.1222 -17.1124 -17.0819 -17.0732 3.9519 3.9648 4.0014 4.0125 9.3658 9.4715 9.5748 9.7125 10.0759 10.1698 10.3118 10.3942 12.0205 12.0438 12.1066 12.1459 13.9830 14.0473 14.1021 14.2080 17.6640 17.7390 17.9109 17.9649 18.1026 18.2163 18.2878 18.3743 k =-0.0652 0.1564 1.2426 ( 2306 PWs) bands (ev): -52.8977 -52.8977 -52.8969 -52.8969 -25.8319 -25.8289 -25.8276 -25.8249 -17.3026 -17.2996 -17.2493 -17.2486 -17.1237 -17.1107 -17.0829 -17.0713 3.9382 3.9530 4.0010 4.0135 9.3203 9.4158 9.6027 9.7396 10.0533 10.1538 10.3671 10.4516 12.0189 12.0488 12.1114 12.1575 13.9615 14.0209 14.1163 14.2261 17.5868 17.6671 17.9022 17.9545 18.0539 18.1758 18.2806 18.3685 k =-0.0706 0.1694 1.2285 ( 2304 PWs) bands (ev): -52.8979 -52.8979 -52.8969 -52.8969 -25.8319 -25.8282 -25.8275 -25.8242 -17.3017 -17.2981 -17.2479 -17.2470 -17.1252 -17.1090 -17.0838 -17.0695 3.9241 3.9409 3.9995 4.0134 9.2741 9.3594 9.6323 9.7682 10.0318 10.1380 10.4237 10.5092 12.0174 12.0540 12.1178 12.1679 13.9412 13.9980 14.1292 14.2418 17.5103 17.5946 17.8903 17.9388 18.0101 18.1370 18.2726 18.3609 k =-0.0761 0.1824 1.2144 ( 2310 PWs) bands (ev): -52.8981 -52.8981 -52.8969 -52.8969 -25.8319 -25.8277 -25.8273 -25.8235 -17.3008 -17.2965 -17.2464 -17.2454 -17.1266 -17.1076 -17.0844 -17.0676 3.9095 3.9287 3.9967 4.0123 9.2274 9.3027 9.6633 9.7981 10.0115 10.1222 10.4811 10.5667 12.0162 12.0595 12.1258 12.1774 13.9222 13.9787 14.1407 14.2550 17.4351 17.5229 17.8719 17.9172 17.9749 18.1038 18.2618 18.3516 k =-0.0815 0.1955 1.2002 ( 2306 PWs) bands (ev): -52.8982 -52.8982 -52.8970 -52.8970 -25.8318 -25.8275 -25.8265 -25.8227 -17.2998 -17.2948 -17.2446 -17.2435 -17.1280 -17.1061 -17.0848 -17.0656 3.8947 3.9163 3.9928 4.0100 9.1802 9.2459 9.6956 9.8291 9.9925 10.1061 10.5391 10.6242 12.0154 12.0658 12.1354 12.1862 13.9048 13.9631 14.1505 14.2656 17.3617 17.4530 17.8451 17.8914 17.9501 18.0769 18.2478 18.3404 k =-0.0870 0.2085 1.1861 ( 2306 PWs) bands (ev): -52.8984 -52.8984 -52.8970 -52.8970 -25.8317 -25.8274 -25.8257 -25.8219 -17.2987 -17.2931 -17.2427 -17.2415 -17.1294 -17.1050 -17.0848 -17.0635 3.8795 3.9039 3.9876 4.0065 9.1326 9.1890 9.7285 9.8606 9.9757 10.0897 10.5975 10.6813 12.0152 12.0732 12.1465 12.1949 13.8895 13.9509 14.1585 14.2736 17.2905 17.3853 17.8127 17.8641 17.9335 18.0551 18.2302 18.3273 k =-0.0924 0.2215 1.1720 ( 2305 PWs) bands (ev): -52.8986 -52.8986 -52.8970 -52.8970 -25.8315 -25.8272 -25.8248 -25.8211 -17.2976 -17.2913 -17.2407 -17.2393 -17.1307 -17.1041 -17.0844 -17.0614 3.8641 3.8914 3.9814 4.0020 9.0849 9.1321 9.7611 9.8903 9.9642 10.0727 10.6561 10.7380 12.0159 12.0819 12.1588 12.2039 13.8764 13.9417 14.1645 14.2789 17.2217 17.3202 17.7796 17.8372 17.9212 18.0367 18.2091 18.3122 k =-0.0978 0.2346 1.1579 ( 2297 PWs) bands (ev): -52.8988 -52.8988 -52.8970 -52.8970 -25.8311 -25.8268 -25.8239 -25.8202 -17.2965 -17.2895 -17.2384 -17.2369 -17.1319 -17.1036 -17.0835 -17.0592 3.8486 3.8789 3.9740 3.9964 9.0369 9.0753 9.7906 9.9111 9.9673 10.0553 10.7149 10.7943 12.0175 12.0919 12.1718 12.2143 13.8660 13.9351 14.1687 14.2819 17.1554 17.2575 17.7492 17.8127 17.9107 18.0199 18.1844 18.2947 k =-0.1033 0.2476 1.1438 ( 2299 PWs) bands (ev): -52.8990 -52.8990 -52.8971 -52.8971 -25.8310 -25.8266 -25.8230 -25.8193 -17.2953 -17.2878 -17.2360 -17.2346 -17.1332 -17.1034 -17.0822 -17.0569 3.8329 3.8664 3.9656 3.9898 8.9889 9.0186 9.8111 9.9216 9.9902 10.0391 10.7735 10.8501 12.0205 12.1033 12.1851 12.2270 13.8581 13.9306 14.1708 14.2825 17.0915 17.1973 17.7236 17.7917 17.9007 18.0038 18.1562 18.2747 k =-0.1087 0.2606 1.1296 ( 2299 PWs) bands (ev): -52.8992 -52.8992 -52.8971 -52.8971 -25.8307 -25.8264 -25.8221 -25.8184 -17.2942 -17.2861 -17.2335 -17.2321 -17.1345 -17.1035 -17.0805 -17.0546 3.8171 3.8540 3.9563 3.9823 8.9408 8.9621 9.8155 9.9380 10.0079 10.0400 10.8319 10.9053 12.0249 12.1162 12.1982 12.2426 13.8529 13.9280 14.1712 14.2813 17.0301 17.1394 17.7038 17.7753 17.8903 17.9875 18.1248 18.2520 k =-0.1141 0.2737 1.1155 ( 2288 PWs) bands (ev): -52.8994 -52.8994 -52.8972 -52.8972 -25.8303 -25.8260 -25.8211 -25.8174 -17.2930 -17.2844 -17.2308 -17.2294 -17.1355 -17.1038 -17.0784 -17.0522 3.8013 3.8416 3.9460 3.9738 8.8926 8.9059 9.8056 9.9561 10.0058 10.0747 10.8900 10.9601 12.0311 12.1303 12.2112 12.2613 13.8502 13.9266 14.1699 14.2787 16.9710 17.0837 17.6905 17.7636 17.8787 17.9707 18.0908 18.2264 k =-0.1196 0.2867 1.1014 ( 2288 PWs) bands (ev): -52.8996 -52.8996 -52.8972 -52.8972 -25.8300 -25.8257 -25.8201 -25.8165 -17.2919 -17.2828 -17.2280 -17.2266 -17.1367 -17.1043 -17.0760 -17.0498 3.7855 3.8294 3.9349 3.9645 8.8445 8.8500 9.7878 9.9499 10.0296 10.1170 10.9477 11.0145 12.0392 12.1457 12.2248 12.2827 13.8497 13.9261 14.1672 14.2753 16.9141 17.0301 17.6840 17.7564 17.8650 17.9527 18.0554 18.1981 k =-0.1250 0.2997 1.0873 ( 2288 PWs) bands (ev): -52.8999 -52.8999 -52.8973 -52.8973 -25.8297 -25.8254 -25.8191 -25.8155 -17.2909 -17.2813 -17.2251 -17.2239 -17.1378 -17.1049 -17.0735 -17.0473 3.7697 3.8172 3.9231 3.9544 8.7942 8.7967 9.7658 9.9287 10.0706 10.1621 11.0048 11.0685 12.0495 12.1622 12.2396 12.3061 13.8510 13.9257 14.1635 14.2720 16.8593 16.9783 17.6839 17.7525 17.8483 17.9331 18.0207 18.1671 k =-0.1304 0.3128 1.0732 ( 2290 PWs) bands (ev): -52.9001 -52.9001 -52.8974 -52.8974 -25.8293 -25.8251 -25.8182 -25.8146 -17.2899 -17.2798 -17.2222 -17.2210 -17.1388 -17.1055 -17.0708 -17.0448 3.7541 3.8051 3.9106 3.9436 8.7392 8.7489 9.7414 9.9032 10.1174 10.2093 11.0613 11.1220 12.0621 12.1798 12.2561 12.3310 13.8535 13.9248 14.1594 14.2697 16.8066 16.9286 17.6892 17.7491 17.8284 17.9110 17.9902 18.1346 k =-0.1359 0.3258 1.0590 ( 2292 PWs) bands (ev): -52.9003 -52.9003 -52.8975 -52.8975 -25.8290 -25.8247 -25.8173 -25.8137 -17.2890 -17.2785 -17.2192 -17.2182 -17.1397 -17.1062 -17.0679 -17.0423 3.7385 3.7932 3.8975 3.9322 8.6848 8.7014 9.7154 9.8753 10.1672 10.2584 11.1171 11.1753 12.0771 12.1984 12.2746 12.3569 13.8567 13.9226 14.1554 14.2694 16.7559 16.8808 17.6959 17.7416 17.8085 17.8854 17.9684 18.1019 k =-0.1413 0.3388 1.0449 ( 2292 PWs) bands (ev): -52.9006 -52.9006 -52.8975 -52.8975 -25.8285 -25.8243 -25.8163 -25.8128 -17.2882 -17.2773 -17.2162 -17.2153 -17.1405 -17.1068 -17.0650 -17.0397 3.7232 3.7815 3.8840 3.9203 8.6310 8.6543 9.6882 9.8457 10.2192 10.3092 11.1720 11.2282 12.0947 12.2182 12.2949 12.3833 13.8595 13.9185 14.1523 14.2721 16.7071 16.8349 17.6850 17.7369 17.7931 17.8573 17.9584 18.0717 k =-0.1467 0.3519 1.0308 ( 2294 PWs) bands (ev): -52.9008 -52.9008 -52.8976 -52.8976 -25.8281 -25.8239 -25.8155 -25.8119 -17.2875 -17.2761 -17.2131 -17.2124 -17.1412 -17.1074 -17.0620 -17.0371 3.7080 3.7699 3.8701 3.9080 8.5780 8.6076 9.6601 9.8147 10.2730 10.3615 11.2260 11.2808 12.1147 12.2393 12.3170 12.4099 13.8611 13.9121 14.1511 14.2786 16.6602 16.7912 17.6423 17.7430 17.7773 17.8336 17.9609 18.0472 k =-0.1522 0.3649 1.0167 ( 2288 PWs) bands (ev): -52.9010 -52.9010 -52.8977 -52.8977 -25.8276 -25.8235 -25.8145 -25.8110 -17.2867 -17.2750 -17.2100 -17.2094 -17.1419 -17.1079 -17.0588 -17.0344 3.6932 3.7585 3.8558 3.8953 8.5260 8.5615 9.6314 9.7825 10.3282 10.4154 11.2790 11.3331 12.1372 12.2616 12.3407 12.4363 13.8606 13.9029 14.1529 14.2894 16.6152 16.7495 17.5835 17.7189 17.7774 17.8201 17.9750 18.0322 k =-0.1576 0.3779 1.0026 ( 2290 PWs) bands (ev): -52.9012 -52.9012 -52.8978 -52.8978 -25.8272 -25.8231 -25.8136 -25.8101 -17.2861 -17.2740 -17.2071 -17.2066 -17.1424 -17.1084 -17.0557 -17.0318 3.6786 3.7473 3.8415 3.8825 8.4751 8.5162 9.6022 9.7495 10.3846 10.4706 11.3309 11.3848 12.1621 12.2853 12.3658 12.4622 13.8572 13.8909 14.1583 14.3047 16.5719 16.7098 17.5160 17.6658 17.7855 17.8143 17.9972 18.0311 k =-0.1630 0.3910 0.9884 ( 2286 PWs) bands (ev): -52.9014 -52.9014 -52.8979 -52.8979 -25.8267 -25.8227 -25.8127 -25.8091 -17.2855 -17.2731 -17.2041 -17.2038 -17.1427 -17.1088 -17.0525 -17.0291 3.6644 3.7363 3.8270 3.8695 8.4254 8.4717 9.5729 9.7157 10.4419 10.5271 11.3815 11.4359 12.1893 12.3102 12.3921 12.4874 13.8502 13.8766 14.1680 14.3244 16.5303 16.6720 17.4431 17.6016 17.7827 17.8145 18.0225 18.0478 k =-0.1685 0.4040 0.9743 ( 2289 PWs) bands (ev): -52.9016 -52.9016 -52.8980 -52.8980 -25.8263 -25.8224 -25.8118 -25.8083 -17.2850 -17.2724 -17.2014 -17.2010 -17.1430 -17.1091 -17.0494 -17.0265 3.6505 3.7255 3.8126 3.8564 8.3771 8.4283 9.5435 9.6815 10.5000 10.5847 11.4307 11.4862 12.2185 12.3360 12.4195 12.5118 13.8393 13.8604 14.1822 14.3483 16.4901 16.6359 17.3667 17.5308 17.7722 17.8141 18.0503 18.0779 k =-0.1739 0.4170 0.9602 ( 2287 PWs) bands (ev): -52.9018 -52.9018 -52.8981 -52.8981 -25.8259 -25.8220 -25.8109 -25.8074 -17.2846 -17.2717 -17.1988 -17.1983 -17.1431 -17.1094 -17.0462 -17.0239 3.6371 3.7149 3.7984 3.8435 8.3303 8.3859 9.5144 9.6472 10.5586 10.6433 11.4783 11.5353 12.2497 12.3625 12.4481 12.5351 13.8245 13.8432 14.2006 14.3760 16.4510 16.6009 17.2885 17.4564 17.7586 17.8095 18.0821 18.1112 k =-0.1793 0.4301 0.9461 ( 2289 PWs) bands (ev): -52.9020 -52.9020 -52.8982 -52.8982 -25.8255 -25.8216 -25.8101 -25.8066 -17.2843 -17.2711 -17.1964 -17.1957 -17.1431 -17.1096 -17.0431 -17.0214 3.6242 3.7046 3.7845 3.8307 8.2852 8.3449 9.4857 9.6128 10.6175 10.7027 11.5241 11.5829 12.2825 12.3893 12.4778 12.5575 13.8060 13.8255 14.2230 14.4071 16.4125 16.5663 17.2103 17.3804 17.7435 17.8016 18.1103 18.1438 k =-0.1848 0.4431 0.9320 ( 2289 PWs) bands (ev): -52.9022 -52.9022 -52.8983 -52.8983 -25.8250 -25.8213 -25.8093 -25.8058 -17.2840 -17.2705 -17.1942 -17.1932 -17.1428 -17.1096 -17.0400 -17.0189 3.6118 3.6944 3.7710 3.8181 8.2418 8.3053 9.4576 9.5788 10.6764 10.7628 11.5679 11.6287 12.3167 12.4161 12.5084 12.5789 13.7846 13.8073 14.2490 14.4413 16.3740 16.5310 17.1339 17.3050 17.7274 17.7915 18.1224 18.1792 k =-0.1902 0.4561 0.9178 ( 2291 PWs) bands (ev): -52.9024 -52.9024 -52.8984 -52.8983 -25.8246 -25.8209 -25.8086 -25.8050 -17.2838 -17.2701 -17.1922 -17.1909 -17.1425 -17.1096 -17.0370 -17.0165 3.5999 3.6844 3.7579 3.8059 8.2004 8.2672 9.4304 9.5452 10.7353 10.8233 11.6094 11.6720 12.3521 12.4428 12.5398 12.5994 13.7615 13.7882 14.2782 14.4783 16.3343 16.4935 17.0616 17.2325 17.7108 17.7799 18.1173 18.2154 k =-0.1956 0.4692 0.9037 ( 2293 PWs) bands (ev): -52.9026 -52.9026 -52.8984 -52.8984 -25.8242 -25.8206 -25.8078 -25.8043 -17.2836 -17.2697 -17.1904 -17.1888 -17.1420 -17.1096 -17.0341 -17.0142 3.5886 3.6746 3.7456 3.7941 8.1611 8.2309 9.4042 9.5124 10.7937 10.8839 11.6481 11.7125 12.3885 12.4692 12.5715 12.6194 13.7371 13.7683 14.3106 14.5179 16.2923 16.4517 16.9960 17.1652 17.6938 17.7671 18.1017 18.2469 k =-0.2011 0.4822 0.8896 ( 2289 PWs) bands (ev): -52.9027 -52.9027 -52.8985 -52.8985 -25.8238 -25.8203 -25.8071 -25.8036 -17.2834 -17.2693 -17.1888 -17.1868 -17.1412 -17.1093 -17.0313 -17.0119 3.5779 3.6651 3.7339 3.7828 8.1239 8.1965 9.3792 9.4807 10.8515 10.9444 11.6837 11.7495 12.4255 12.4955 12.6029 12.6394 13.7118 13.7475 14.3460 14.5597 16.2463 16.4037 16.9396 17.1054 17.6767 17.7532 18.0804 18.2675 k =-0.2065 0.4952 0.8755 ( 2291 PWs) bands (ev): -52.9029 -52.9029 -52.8986 -52.8986 -25.8234 -25.8200 -25.8064 -25.8029 -17.2833 -17.2691 -17.1875 -17.1850 -17.1405 -17.1091 -17.0287 -17.0097 3.5678 3.6558 3.7230 3.7721 8.0890 8.1640 9.3557 9.4500 10.9085 11.0046 11.7158 11.7825 12.4629 12.5218 12.6326 12.6603 13.6860 13.7261 14.3845 14.6038 16.1948 16.3481 16.8942 17.0555 17.6596 17.7381 18.0558 18.2701 k =-0.2120 0.5083 0.8614 ( 2293 PWs) bands (ev): -52.9030 -52.9030 -52.8987 -52.8987 -25.8231 -25.8197 -25.8059 -25.8024 -17.2833 -17.2688 -17.1864 -17.1834 -17.1396 -17.1087 -17.0262 -17.0077 3.5585 3.6468 3.7131 3.7619 8.0565 8.1336 9.3337 9.4208 10.9642 11.0640 11.7439 11.8111 12.5006 12.5481 12.6588 12.6837 13.6598 13.7041 14.4261 14.6500 16.1366 16.2845 16.8608 17.0171 17.6426 17.7215 18.0291 18.2494 k =-0.2174 0.5213 0.8472 ( 2299 PWs) bands (ev): -52.9032 -52.9032 -52.8988 -52.8988 -25.8228 -25.8196 -25.8053 -25.8018 -17.2833 -17.2687 -17.1854 -17.1820 -17.1387 -17.1084 -17.0238 -17.0059 3.5499 3.6382 3.7040 3.7525 8.0265 8.1055 9.3134 9.3931 11.0183 11.1224 11.7678 11.8348 12.5380 12.5746 12.6806 12.7102 13.6333 13.6816 14.4710 14.6983 16.0711 16.2136 16.8392 16.9909 17.6256 17.7033 18.0003 18.2112 k =-0.2228 0.5343 0.8331 ( 2291 PWs) bands (ev): -52.9033 -52.9033 -52.8988 -52.8988 -25.8225 -25.8192 -25.8047 -25.8012 -17.2832 -17.2685 -17.1846 -17.1807 -17.1376 -17.1079 -17.0216 -17.0041 3.5420 3.6299 3.6959 3.7438 7.9991 8.0797 9.2950 9.3672 11.0706 11.1793 11.7873 11.8533 12.5747 12.6015 12.6999 12.7377 13.6068 13.6588 14.5192 14.7489 15.9987 16.1369 16.8286 16.9765 17.6086 17.6832 17.9694 18.1662 k =-0.2283 0.5474 0.8190 ( 2293 PWs) bands (ev): -52.9034 -52.9034 -52.8989 -52.8989 -25.8222 -25.8191 -25.8042 -25.8007 -17.2832 -17.2683 -17.1840 -17.1796 -17.1367 -17.1075 -17.0196 -17.0025 3.5349 3.6222 3.6887 3.7360 7.9744 8.0564 9.2787 9.3431 11.1205 11.2343 11.8023 11.8666 12.6092 12.6292 12.7178 12.7646 13.5802 13.6359 14.5709 14.8018 15.9204 16.0559 16.8277 16.9726 17.5913 17.6609 17.9360 18.1221 k =-0.2337 0.5604 0.8049 ( 2292 PWs) bands (ev): -52.9035 -52.9035 -52.8990 -52.8990 -25.8220 -25.8189 -25.8038 -25.8003 -17.2832 -17.2682 -17.1834 -17.1786 -17.1357 -17.1071 -17.0178 -17.0011 3.5286 3.6151 3.6824 3.7289 7.9524 8.0356 9.2644 9.3211 11.1676 11.2867 11.8130 11.8745 12.6396 12.6588 12.7349 12.7903 13.5539 13.6133 14.6259 14.8571 15.8378 15.9723 16.8355 16.9771 17.5734 17.6366 17.9002 18.0835 k =-0.2391 0.5734 0.7907 ( 2294 PWs) bands (ev): -52.9036 -52.9036 -52.8990 -52.8990 -25.8218 -25.8187 -25.8034 -25.7999 -17.2832 -17.2682 -17.1831 -17.1778 -17.1348 -17.1067 -17.0162 -16.9998 3.5230 3.6087 3.6770 3.7227 7.9332 8.0174 9.2524 9.3012 11.2112 11.3360 11.8199 11.8775 12.6653 12.6893 12.7512 12.8143 13.5283 13.5914 14.6841 14.9147 15.7526 15.8873 16.8504 16.9879 17.5542 17.6110 17.8632 18.0522 k =-0.2446 0.5865 0.7766 ( 2296 PWs) bands (ev): -52.9036 -52.9036 -52.8991 -52.8990 -25.8216 -25.8186 -25.8032 -25.7996 -17.2832 -17.2681 -17.1828 -17.1772 -17.1341 -17.1063 -17.0149 -16.9988 3.5184 3.6031 3.6725 3.7174 7.9168 8.0019 9.2428 9.2836 11.2506 11.3813 11.8237 11.8761 12.6871 12.7183 12.7666 12.8367 13.5039 13.5708 14.7449 14.9746 15.6667 15.8023 16.8710 17.0023 17.5332 17.5852 17.8273 18.0283 k =-0.2500 0.5995 0.7625 ( 2293 PWs) bands (ev): -52.9037 -52.9037 -52.8991 -52.8991 -25.8214 -25.8184 -25.8029 -25.7994 -17.2832 -17.2680 -17.1825 -17.1766 -17.1333 -17.1059 -17.0137 -16.9979 3.5145 3.5985 3.6688 3.7131 7.9034 7.9891 9.2355 9.2683 11.2849 11.4216 11.8254 11.8709 12.7051 12.7439 12.7805 12.8572 13.4815 13.5523 14.8073 15.0364 15.5822 15.7188 16.8956 17.0178 17.5108 17.5608 17.7950 18.0106 k =-0.2554 0.6125 0.7484 ( 2293 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8212 -25.8183 -25.8027 -25.7992 -17.2832 -17.2680 -17.1823 -17.1762 -17.1328 -17.1057 -17.0129 -16.9972 3.5115 3.5947 3.6660 3.7097 7.8929 7.9791 9.2306 9.2555 11.3133 11.4556 11.8261 11.8631 12.7193 12.7649 12.7922 12.8751 13.4620 13.5367 14.8693 15.0990 15.5018 15.6389 16.9218 17.0315 17.4891 17.5389 17.7682 17.9983 k =-0.2609 0.6256 0.7343 ( 2301 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8212 -25.8183 -25.8027 -25.7992 -17.2833 -17.2680 -17.1823 -17.1760 -17.1324 -17.1055 -17.0123 -16.9968 3.5094 3.5920 3.6640 3.7072 7.8854 7.9719 9.2282 9.2452 11.3346 11.4818 11.8272 11.8541 12.7295 12.7805 12.8010 12.8895 13.4468 13.5247 14.9267 15.1599 15.4300 15.5659 16.9467 17.0407 17.4711 17.5204 17.7485 17.9903 k =-0.2663 0.6386 0.7201 ( 2299 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8212 -25.8183 -25.8025 -25.7990 -17.2833 -17.2680 -17.1822 -17.1758 -17.1322 -17.1054 -17.0119 -16.9965 3.5081 3.5904 3.6628 3.7057 7.8809 7.9676 9.2281 9.2376 11.3479 11.4984 11.8295 11.8455 12.7356 12.7902 12.8063 12.8989 13.4370 13.5171 14.9713 15.2123 15.3745 15.5084 16.9658 17.0447 17.4599 17.5074 17.7365 17.9859 k =-0.2717 0.6516 0.7060 ( 2299 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8211 -25.8183 -25.8025 -25.7990 -17.2833 -17.2680 -17.1822 -17.1757 -17.1321 -17.1054 -17.0118 -16.9964 3.5077 3.5898 3.6624 3.7052 7.8793 7.9662 9.2291 9.2340 11.3524 11.5041 11.8317 11.8409 12.7376 12.7936 12.8081 12.9022 13.4336 13.5146 14.9890 15.2366 15.3511 15.4843 16.9733 17.0454 17.4561 17.5025 17.7324 17.9844 k =-0.2717 0.6516 0.7060 ( 2299 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8211 -25.8183 -25.8025 -25.7990 -17.2833 -17.2680 -17.1822 -17.1757 -17.1321 -17.1054 -17.0118 -16.9964 3.5077 3.5898 3.6624 3.7052 7.8793 7.9662 9.2291 9.2340 11.3524 11.5041 11.8317 11.8409 12.7376 12.7936 12.8081 12.9022 13.4336 13.5146 14.9890 15.2366 15.3511 15.4843 16.9733 17.0454 17.4561 17.5025 17.7324 17.9844 k =-0.2663 0.6386 0.6919 ( 2299 PWs) bands (ev): -52.9039 -52.9039 -52.8990 -52.8990 -25.8218 -25.8188 -25.8022 -25.7988 -17.2848 -17.2688 -17.1832 -17.1767 -17.1329 -17.1057 -17.0109 -16.9952 3.5011 3.5897 3.6887 3.7460 7.8656 7.9515 9.2131 9.2159 11.2915 11.4588 11.8169 11.8290 12.7766 12.8218 12.8251 12.9469 13.4242 13.5179 14.9957 15.2555 15.3309 15.4323 16.9376 17.0122 17.4859 17.5621 17.7503 17.9853 k =-0.2609 0.6256 0.6778 ( 2301 PWs) bands (ev): -52.9040 -52.9040 -52.8989 -52.8989 -25.8224 -25.8193 -25.8019 -25.7986 -17.2861 -17.2693 -17.1839 -17.1775 -17.1337 -17.1060 -17.0100 -16.9940 3.4874 3.5767 3.7192 3.7858 7.8617 7.9465 9.2003 9.2008 11.2298 11.4123 11.8047 11.8194 12.7865 12.8315 12.8788 13.0019 13.4178 13.5232 14.9959 15.2684 15.3175 15.3858 16.9015 16.9785 17.5064 17.6038 17.7722 17.9734 k =-0.2554 0.6125 0.6637 ( 2301 PWs) bands (ev): -52.9040 -52.9040 -52.8988 -52.8988 -25.8229 -25.8198 -25.8016 -25.7983 -17.2872 -17.2696 -17.1844 -17.1780 -17.1345 -17.1063 -17.0091 -16.9929 3.4667 3.5544 3.7502 3.8243 7.8677 7.9510 9.1888 9.1910 11.1679 11.3650 11.7951 11.8123 12.7925 12.8350 12.9391 13.0591 13.4151 13.5308 14.9880 15.2605 15.3122 15.3596 16.8650 16.9443 17.5198 17.6309 17.7930 17.9486 k =-0.2500 0.5995 0.6495 ( 2295 PWs) bands (ev): -52.9041 -52.9041 -52.8987 -52.8987 -25.8233 -25.8201 -25.8010 -25.7978 -17.2879 -17.2694 -17.1845 -17.1782 -17.1354 -17.1066 -17.0082 -16.9917 3.4394 3.5243 3.7804 3.8611 7.8830 7.9647 9.1800 9.1851 11.1064 11.3173 11.7883 11.8076 12.7987 12.8381 12.9976 13.1153 13.4166 13.5411 14.9720 15.2218 15.3152 15.3635 16.8285 16.9098 17.5275 17.6491 17.8058 17.9125 k =-0.2446 0.5865 0.6354 ( 2299 PWs) bands (ev): -52.9042 -52.9042 -52.8986 -52.8986 -25.8238 -25.8205 -25.8006 -25.7975 -17.2884 -17.2692 -17.1844 -17.1782 -17.1363 -17.1070 -17.0074 -16.9907 3.4058 3.4873 3.8090 3.8961 7.9072 7.9871 9.1743 9.1829 11.0456 11.2696 11.7840 11.8055 12.8059 12.8418 13.0526 13.1689 13.4230 13.5543 14.9491 15.1692 15.3253 15.3807 16.7920 16.8752 17.5302 17.6624 17.8067 17.8680 k =-0.2391 0.5734 0.6213 ( 2299 PWs) bands (ev): -52.9043 -52.9043 -52.8985 -52.8985 -25.8241 -25.8208 -25.8001 -25.7970 -17.2887 -17.2686 -17.1840 -17.1779 -17.1373 -17.1074 -17.0065 -16.9896 3.3664 3.4441 3.8357 3.9290 7.9396 8.0178 9.1720 9.1844 10.9862 11.2222 11.7824 11.8058 12.8142 12.8466 13.1031 13.2188 13.4350 13.5707 14.9211 15.1123 15.3407 15.4016 16.7557 16.8405 17.5274 17.6709 17.7965 17.8195 k =-0.2337 0.5604 0.6072 ( 2287 PWs) bands (ev): -52.9044 -52.9044 -52.8984 -52.8984 -25.8243 -25.8209 -25.7994 -25.7964 -17.2886 -17.2676 -17.1832 -17.1772 -17.1382 -17.1077 -17.0057 -16.9885 3.3216 3.3953 3.8605 3.9598 7.9794 8.0558 9.1730 9.1898 10.9287 11.1755 11.7834 11.8085 12.8240 12.8526 13.1479 13.2644 13.4533 13.5902 14.8900 15.0542 15.3598 15.4233 16.7197 16.8059 17.5165 17.6703 17.7724 17.7817 k =-0.2283 0.5474 0.5931 ( 2281 PWs) bands (ev): -52.9045 -52.9045 -52.8983 -52.8983 -25.8245 -25.8210 -25.7987 -25.7959 -17.2883 -17.2664 -17.1822 -17.1762 -17.1392 -17.1080 -17.0049 -16.9875 3.2718 3.3415 3.8830 3.9882 8.0257 8.1005 9.1777 9.1992 10.8735 11.1301 11.7868 11.8137 12.8351 12.8600 13.1866 13.3052 13.4776 13.6123 14.8574 14.9960 15.3810 15.4449 16.6841 16.7714 17.4934 17.6510 17.7332 17.7740 k =-0.2228 0.5343 0.5789 ( 2281 PWs) bands (ev): -52.9047 -52.9047 -52.8983 -52.8983 -25.8247 -25.8212 -25.7980 -25.7953 -17.2879 -17.2650 -17.1810 -17.1751 -17.1403 -17.1084 -17.0043 -16.9866 3.2176 3.2833 3.9033 4.0143 8.0775 8.1508 9.1862 9.2130 10.8213 11.0863 11.7928 11.8213 12.8476 12.8688 13.2193 13.3412 13.5073 13.6363 14.8249 14.9384 15.4034 15.4657 16.6491 16.7373 17.4548 17.6103 17.7068 17.7784 k =-0.2174 0.5213 0.5648 ( 2283 PWs) bands (ev): -52.9049 -52.9048 -52.8982 -52.8982 -25.8249 -25.8213 -25.7973 -25.7947 -17.2872 -17.2634 -17.1795 -17.1738 -17.1414 -17.1089 -17.0036 -16.9857 3.1596 3.2211 3.9213 4.0378 8.1336 8.2055 9.1989 9.2314 10.7726 11.0446 11.8011 11.8312 12.8615 12.8791 13.2469 13.3728 13.5406 13.6608 14.7936 14.8822 15.4262 15.4856 16.6147 16.7036 17.4020 17.5550 17.6930 17.7899 k =-0.2120 0.5083 0.5507 ( 2273 PWs) bands (ev): -52.9050 -52.9050 -52.8982 -52.8982 -25.8249 -25.8213 -25.7964 -25.7939 -17.2862 -17.2615 -17.1777 -17.1721 -17.1424 -17.1092 -17.0028 -16.9848 3.0981 3.1557 3.9370 4.0588 8.1928 8.2633 9.2162 9.2549 10.7279 11.0054 11.8119 11.8434 12.8769 12.8909 13.2709 13.4007 13.5755 13.6841 14.7644 14.8277 15.4490 15.5043 16.5813 16.6704 17.3399 17.4912 17.6878 17.8033 k =-0.2065 0.4952 0.5366 ( 2273 PWs) bands (ev): -52.9051 -52.9051 -52.8982 -52.8982 -25.8250 -25.8213 -25.7956 -25.7932 -17.2851 -17.2595 -17.1757 -17.1702 -17.1435 -17.1095 -17.0022 -16.9839 3.0337 3.0875 3.9503 4.0772 8.2537 8.3225 9.2388 9.2840 10.6879 10.9692 11.8249 11.8579 12.8937 12.9042 13.2923 13.4255 13.6098 13.7045 14.7383 14.7756 15.4712 15.5217 16.5489 16.6380 17.2730 17.4228 17.6869 17.8141 k =-0.2011 0.4822 0.5225 ( 2269 PWs) bands (ev): -52.9053 -52.9053 -52.8982 -52.8982 -25.8250 -25.8213 -25.7947 -25.7924 -17.2837 -17.2572 -17.1736 -17.1681 -17.1445 -17.1097 -17.0016 -16.9830 2.9670 3.0171 3.9614 4.0930 8.3147 8.3815 9.2675 9.3193 10.6530 10.9364 11.8401 11.8745 12.9119 12.9189 13.3121 13.4478 13.6418 13.7205 14.7158 14.7264 15.4926 15.5377 16.5177 16.6063 17.2048 17.3522 17.6867 17.8170 k =-0.1957 0.4692 0.5083 ( 2265 PWs) bands (ev): -52.9055 -52.9055 -52.8982 -52.8981 -25.8249 -25.8212 -25.7938 -25.7915 -17.2822 -17.2547 -17.1712 -17.1658 -17.1454 -17.1099 -17.0010 -16.9822 2.8983 2.9448 3.9702 4.1062 8.3742 8.4382 9.3035 9.3616 10.6239 10.9076 11.8574 11.8932 12.9314 12.9350 13.3307 13.4680 13.6696 13.7310 14.6806 14.6972 15.5132 15.5523 16.4879 16.5757 17.1373 17.2814 17.6842 17.8052 k =-0.1902 0.4561 0.4942 ( 2273 PWs) bands (ev): -52.9057 -52.9057 -52.8982 -52.8982 -25.8249 -25.8211 -25.7930 -25.7908 -17.2806 -17.2522 -17.1688 -17.1635 -17.1464 -17.1102 -17.0005 -16.9816 2.8280 2.8711 3.9768 4.1168 8.4306 8.4905 9.3478 9.4116 10.6009 10.8832 11.8768 11.9139 12.9522 12.9525 13.3486 13.4862 13.6922 13.7352 14.6386 14.6824 15.5327 15.5655 16.4595 16.5462 17.0723 17.2119 17.6765 17.7752 k =-0.1848 0.4431 0.4801 ( 2277 PWs) bands (ev): -52.9059 -52.9059 -52.8982 -52.8982 -25.8248 -25.8211 -25.7920 -25.7900 -17.2789 -17.2495 -17.1662 -17.1609 -17.1472 -17.1103 -17.0000 -16.9809 2.7566 2.7966 3.9814 4.1249 8.4825 8.5367 9.4016 9.4699 10.5847 10.8635 11.8981 11.9364 12.9712 12.9743 13.3657 13.5024 13.7084 13.7329 14.6007 14.6709 15.5511 15.5774 16.4327 16.5180 17.0111 17.1451 17.6614 17.7310 k =-0.1793 0.4301 0.4660 ( 2277 PWs) bands (ev): -52.9061 -52.9061 -52.8982 -52.8982 -25.8247 -25.8209 -25.7910 -25.7890 -17.2769 -17.2467 -17.1635 -17.1581 -17.1477 -17.1103 -16.9994 -16.9802 2.6845 2.7214 3.9838 4.1304 8.5286 8.5751 9.4656 9.5370 10.5755 10.8491 11.9212 11.9608 12.9911 12.9974 13.3820 13.5166 13.7176 13.7246 14.5669 14.6619 15.5685 15.5882 16.4078 16.4916 16.9548 17.0822 17.6387 17.6799 k =-0.1739 0.4170 0.4519 ( 2281 PWs) bands (ev): -52.9063 -52.9063 -52.8983 -52.8983 -25.8246 -25.8208 -25.7900 -25.7881 -17.2749 -17.2438 -17.1611 -17.1553 -17.1479 -17.1102 -16.9989 -16.9795 2.6119 2.6460 3.9844 4.1336 8.5680 8.6050 9.5399 9.6132 10.5735 10.8401 11.9460 11.9868 13.0121 13.0216 13.3974 13.5280 13.7111 13.7195 14.5370 14.6541 15.5850 15.5979 16.3847 16.4670 16.9042 17.0242 17.6106 17.6277 k =-0.1685 0.4040 0.4377 ( 2279 PWs) bands (ev): -52.9065 -52.9065 -52.8984 -52.8984 -25.8244 -25.8206 -25.7889 -25.7871 -17.2728 -17.2408 -17.1590 -17.1523 -17.1474 -17.1099 -16.9984 -16.9789 2.5393 2.5707 3.9831 4.1344 8.6001 8.6262 9.6243 9.6983 10.5788 10.8368 11.9725 12.0144 13.0341 13.0468 13.4114 13.5361 13.6937 13.7144 14.5105 14.6463 15.6005 15.6067 16.3638 16.4448 16.8599 16.9720 17.5778 17.5806 k =-0.1630 0.3910 0.4236 ( 2283 PWs) bands (ev): -52.9068 -52.9068 -52.8984 -52.8984 -25.8241 -25.8203 -25.7879 -25.7862 -17.2706 -17.2379 -17.1575 -17.1493 -17.1460 -17.1095 -16.9980 -16.9783 2.4668 2.4957 3.9801 4.1331 8.6249 8.6390 9.7180 9.7917 10.5916 10.8395 12.0003 12.0433 13.0568 13.0726 13.4239 13.5394 13.6745 13.7027 14.4865 14.6372 15.6148 15.6152 16.3450 16.4252 16.8226 16.9264 17.5326 17.5523 k =-0.1576 0.3779 0.4095 ( 2285 PWs) bands (ev): -52.9070 -52.9070 -52.8985 -52.8985 -25.8238 -25.8201 -25.7868 -25.7852 -17.2683 -17.2350 -17.1567 -17.1463 -17.1437 -17.1089 -16.9975 -16.9777 2.3948 2.4213 3.9756 4.1296 8.6427 8.6442 9.8200 9.8928 10.6116 10.8482 12.0295 12.0734 13.0802 13.0991 13.4344 13.5361 13.6558 13.6853 14.4640 14.6257 15.6224 15.6294 16.3285 16.4086 16.7927 16.8882 17.4936 17.5283 k =-0.1522 0.3649 0.3954 ( 2283 PWs) bands (ev): -52.9072 -52.9072 -52.8985 -52.8985 -25.8234 -25.8197 -25.7857 -25.7842 -17.2660 -17.2321 -17.1563 -17.1433 -17.1406 -17.1080 -16.9970 -16.9772 2.3235 2.3478 3.9696 4.1242 8.6427 8.6537 9.9290 10.0008 10.6386 10.8627 12.0598 12.1047 13.1041 13.1261 13.4425 13.5244 13.6401 13.6632 14.4418 14.6109 15.6298 15.6432 16.3146 16.3955 16.7703 16.8579 17.4617 17.5106 k =-0.1467 0.3519 0.3813 ( 2285 PWs) bands (ev): -52.9075 -52.9075 -52.8986 -52.8986 -25.8231 -25.8194 -25.7847 -25.7832 -17.2637 -17.2293 -17.1560 -17.1404 -17.1372 -17.1069 -16.9966 -16.9766 2.2531 2.2754 3.9623 4.1169 8.6356 8.6587 10.0440 10.1148 10.6723 10.8832 12.0912 12.1368 13.1283 13.1533 13.4479 13.5040 13.6282 13.6376 14.4192 14.5924 15.6371 15.6567 16.3032 16.3860 16.7557 16.8359 17.4377 17.5006 k =-0.1413 0.3388 0.3671 ( 2285 PWs) bands (ev): -52.9077 -52.9077 -52.8987 -52.8987 -25.8227 -25.8191 -25.7836 -25.7822 -17.2614 -17.2267 -17.1557 -17.1376 -17.1335 -17.1055 -16.9961 -16.9761 2.1838 2.2042 3.9539 4.1079 8.6238 8.6583 10.1638 10.2340 10.7124 10.9092 12.1233 12.1697 13.1525 13.1806 13.4502 13.4767 13.6096 13.6188 14.3953 14.5697 15.6446 15.6703 16.2946 16.3803 16.7489 16.8226 17.4219 17.4989 k =-0.1359 0.3258 0.3530 ( 2285 PWs) bands (ev): -52.9079 -52.9079 -52.8987 -52.8987 -25.8223 -25.8187 -25.7824 -25.7812 -17.2591 -17.2244 -17.1553 -17.1349 -17.1297 -17.1039 -16.9955 -16.9756 2.1159 2.1345 3.9445 4.0974 8.6082 8.6531 10.2874 10.3575 10.7585 10.9405 12.1561 12.2031 13.1767 13.2076 13.4448 13.4491 13.5803 13.6100 14.3695 14.5430 15.6525 15.6841 16.2890 16.3784 16.7501 16.8182 17.4143 17.5060 k =-0.1304 0.3128 0.3389 ( 2281 PWs) bands (ev): -52.9082 -52.9082 -52.8988 -52.8988 -25.8218 -25.8183 -25.7813 -25.7801 -17.2569 -17.2222 -17.1545 -17.1324 -17.1257 -17.1019 -16.9950 -16.9750 2.0495 2.0664 3.9342 4.0855 8.5896 8.6437 10.4139 10.4846 10.8104 10.9769 12.1894 12.2368 13.2003 13.2340 13.4103 13.4442 13.5507 13.6003 14.3417 14.5125 15.6611 15.6985 16.2865 16.3805 16.7593 16.8227 17.4149 17.5218 k =-0.1250 0.2998 0.3248 ( 2281 PWs) bands (ev): -52.9084 -52.9084 -52.8989 -52.8989 -25.8214 -25.8179 -25.7802 -25.7791 -17.2547 -17.2203 -17.1536 -17.1300 -17.1217 -17.0997 -16.9944 -16.9745 1.9847 2.0001 3.9233 4.0724 8.5688 8.6308 10.5421 10.6145 10.8681 11.0179 12.2230 12.2707 13.2232 13.2592 13.3744 13.4353 13.5221 13.5891 14.3117 14.4785 15.6706 15.7136 16.2873 16.3862 16.7766 16.8362 17.4232 17.5461 k =-0.1196 0.2867 0.3106 ( 2283 PWs) bands (ev): -52.9086 -52.9086 -52.8990 -52.8990 -25.8210 -25.8176 -25.7791 -25.7780 -17.2527 -17.2188 -17.1524 -17.1279 -17.1177 -17.0972 -16.9938 -16.9740 1.9217 1.9357 3.9117 4.0583 8.5462 8.6149 10.6704 10.7466 10.9318 11.0632 12.2568 12.3045 13.2447 13.2824 13.3381 13.4227 13.4953 13.5764 14.2797 14.4418 15.6813 15.7296 16.2916 16.3956 16.8019 16.8584 17.4387 17.5782 k =-0.1141 0.2737 0.2965 ( 2283 PWs) bands (ev): -52.9088 -52.9088 -52.8991 -52.8991 -25.8205 -25.8172 -25.7780 -25.7770 -17.2506 -17.2176 -17.1509 -17.1258 -17.1136 -17.0946 -16.9931 -16.9735 1.8607 1.8734 3.8998 4.0432 8.5225 8.5966 10.7964 10.8800 11.0030 11.1126 12.2904 12.3380 13.2632 13.3016 13.3029 13.4077 13.4714 13.5624 14.2459 14.4026 15.6933 15.7467 16.2994 16.4084 16.8351 16.8892 17.4606 17.6176 k =-0.1087 0.2607 0.2824 ( 2285 PWs) bands (ev): -52.9090 -52.9090 -52.8992 -52.8992 -25.8201 -25.8169 -25.7769 -25.7760 -17.2488 -17.2167 -17.1491 -17.1239 -17.1097 -17.0919 -16.9924 -16.9730 1.8017 1.8132 3.8876 4.0274 8.4981 8.5764 10.9161 11.0134 11.0846 11.1663 12.3238 12.3711 13.2590 13.2881 13.3127 13.3937 13.4513 13.5479 14.2106 14.3617 15.7070 15.7652 16.3109 16.4245 16.8759 16.9282 17.4881 17.6631 k =-0.1033 0.2476 0.2683 ( 2287 PWs) bands (ev): -52.9093 -52.9093 -52.8993 -52.8993 -25.8196 -25.8165 -25.7759 -25.7751 -17.2470 -17.2160 -17.1470 -17.1221 -17.1058 -17.0891 -16.9916 -16.9725 1.7450 1.7553 3.8753 4.0110 8.4734 8.5547 11.0238 11.1429 11.1811 11.2272 12.3567 12.4035 13.2256 13.2997 13.3102 13.3833 13.4385 13.5340 14.1741 14.3196 15.7225 15.7851 16.3261 16.4438 16.9241 16.9749 17.5203 17.7136 k =-0.0978 0.2346 0.2542 ( 2289 PWs) bands (ev): -52.9095 -52.9095 -52.8994 -52.8994 -25.8192 -25.8162 -25.7749 -25.7742 -17.2452 -17.2157 -17.1448 -17.1204 -17.1019 -17.0863 -16.9908 -16.9720 1.6905 1.6998 3.8630 3.9941 8.4488 8.5320 11.1178 11.2487 11.2934 11.3139 12.3890 12.4349 13.1907 13.2952 13.3087 13.3702 13.4384 13.5222 14.1370 14.2769 15.7400 15.8066 16.3449 16.4662 16.9790 17.0287 17.5561 17.7676 k =-0.0924 0.2216 0.2400 ( 2287 PWs) bands (ev): -52.9097 -52.9097 -52.8995 -52.8995 -25.8187 -25.8159 -25.7739 -25.7732 -17.2436 -17.2156 -17.1423 -17.1187 -17.0981 -17.0835 -16.9899 -16.9716 1.6384 1.6468 3.8508 3.9770 8.4246 8.5086 11.2021 11.3194 11.4163 11.4368 12.4204 12.4652 13.1563 13.2742 13.3120 13.3505 13.4490 13.5142 14.0995 14.2339 15.7596 15.8297 16.3675 16.4915 17.0402 17.0888 17.5944 17.8227 k =-0.0870 0.2085 0.2259 ( 2283 PWs) bands (ev): -52.9098 -52.9098 -52.8996 -52.8996 -25.8182 -25.8155 -25.7729 -25.7723 -17.2421 -17.2156 -17.1397 -17.1171 -17.0945 -17.0807 -16.9888 -16.9711 1.5889 1.5964 3.8389 3.9597 8.4010 8.4848 11.2815 11.3820 11.5440 11.5679 12.4509 12.4942 13.1230 13.2513 13.3083 13.3268 13.4641 13.5113 14.0621 14.1910 15.7813 15.8545 16.3935 16.5196 17.1068 17.1544 17.6344 17.8755 k =-0.0815 0.1955 0.2118 ( 2287 PWs) bands (ev): -52.9100 -52.9100 -52.8997 -52.8997 -25.8178 -25.8152 -25.7721 -25.7715 -17.2407 -17.2159 -17.1371 -17.1156 -17.0910 -17.0781 -16.9878 -16.9707 1.5419 1.5486 3.8274 3.9425 8.3783 8.4609 11.3582 11.4433 11.6728 11.6991 12.4801 12.5218 13.0909 13.2280 13.2981 13.3014 13.4801 13.5135 14.0251 14.1487 15.8053 15.8808 16.4229 16.5502 17.1780 17.2241 17.6750 17.9212 k =-0.0761 0.1825 0.1977 ( 2287 PWs) bands (ev): -52.9102 -52.9102 -52.8997 -52.8997 -25.8173 -25.8149 -25.7712 -25.7706 -17.2394 -17.2163 -17.1344 -17.1141 -17.0877 -17.0756 -16.9867 -16.9702 1.4976 1.5036 3.8163 3.9253 8.3567 8.4373 11.4334 11.5043 11.8008 11.8283 12.5081 12.5476 13.0602 13.2049 13.2760 13.2827 13.4957 13.5198 13.9888 14.1072 15.8313 15.9085 16.4554 16.5831 17.2524 17.2964 17.7157 17.9547 k =-0.0707 0.1694 0.1836 ( 2281 PWs) bands (ev): -52.9104 -52.9104 -52.8998 -52.8998 -25.8168 -25.8145 -25.7704 -25.7699 -17.2381 -17.2167 -17.1316 -17.1126 -17.0845 -17.0732 -16.9856 -16.9699 1.4561 1.4614 3.8059 3.9085 8.3362 8.4141 11.5071 11.5648 11.9263 11.9542 12.5345 12.5715 13.0311 13.1818 13.2519 13.2641 13.5100 13.5288 13.9536 14.0666 15.8595 15.9376 16.4908 16.6180 17.3287 17.3693 17.7563 17.9744 k =-0.0652 0.1564 0.1694 ( 2285 PWs) bands (ev): -52.9106 -52.9106 -52.8999 -52.8999 -25.8163 -25.8142 -25.7697 -25.7692 -17.2370 -17.2174 -17.1289 -17.1112 -17.0815 -17.0711 -16.9845 -16.9696 1.4173 1.4220 3.7961 3.8920 8.3172 8.3915 11.5792 11.6245 12.0480 12.0758 12.5592 12.5935 13.0039 13.1577 13.2311 13.2440 13.5225 13.5392 13.9198 14.0272 15.8894 15.9677 16.5287 16.6544 17.4048 17.4397 17.7975 17.9834 k =-0.0598 0.1434 0.1553 ( 2279 PWs) bands (ev): -52.9107 -52.9107 -52.8999 -52.8999 -25.8158 -25.8138 -25.7690 -25.7686 -17.2359 -17.2180 -17.1262 -17.1099 -17.0787 -17.0691 -16.9832 -16.9693 1.3814 1.3856 3.7872 3.8761 8.2996 8.3699 11.6495 11.6830 12.1644 12.1917 12.5821 12.6132 12.9789 13.1320 13.2156 13.2240 13.5330 13.5502 13.8876 13.9891 15.9210 15.9985 16.5687 16.6920 17.4780 17.5041 17.8412 17.9877 k =-0.0543 0.1303 0.1412 ( 2279 PWs) bands (ev): -52.9109 -52.9109 -52.9000 -52.9000 -25.8154 -25.8136 -25.7683 -25.7679 -17.2349 -17.2187 -17.1236 -17.1088 -17.0761 -17.0674 -16.9819 -16.9690 1.3485 1.3521 3.7791 3.8608 8.2836 8.3492 11.7174 11.7400 12.2740 12.3006 12.6031 12.6306 12.9565 13.1044 13.2053 13.2066 13.5409 13.5612 13.8575 13.9523 15.9537 16.0294 16.6103 16.7300 17.5443 17.5580 17.8901 17.9933 k =-0.0489 0.1173 0.1271 ( 2279 PWs) bands (ev): -52.9110 -52.9110 -52.9000 -52.9000 -25.8151 -25.8134 -25.7677 -25.7674 -17.2340 -17.2195 -17.1211 -17.1078 -17.0737 -17.0658 -16.9806 -16.9688 1.3186 1.3217 3.7720 3.8462 8.2693 8.3297 11.7824 11.7949 12.3749 12.4011 12.6222 12.6455 12.9374 13.0754 13.1896 13.2048 13.5459 13.5716 13.8298 13.9169 15.9872 16.0601 16.6530 16.7678 17.5981 17.5986 17.9463 18.0062 k =-0.0435 0.1043 0.1130 ( 2279 PWs) bands (ev): -52.9111 -52.9111 -52.9001 -52.9001 -25.8147 -25.8132 -25.7671 -25.7668 -17.2331 -17.2203 -17.1188 -17.1069 -17.0715 -17.0645 -16.9794 -16.9687 1.2917 1.2944 3.7660 3.8324 8.2567 8.3115 11.8439 11.8474 12.4643 12.4913 12.6396 12.6578 12.9221 13.0458 13.1782 13.2108 13.5476 13.5810 13.8048 13.8828 16.0208 16.0899 16.6959 16.8046 17.6240 17.6364 18.0095 18.0319 k =-0.0380 0.0912 0.0988 ( 2283 PWs) bands (ev): -52.9112 -52.9112 -52.9002 -52.9002 -25.8145 -25.8132 -25.7666 -25.7664 -17.2323 -17.2212 -17.1167 -17.1063 -17.0694 -17.0634 -16.9781 -16.9687 1.2678 1.2701 3.7610 3.8195 8.2459 8.2947 11.8969 11.9011 12.5386 12.5696 12.6567 12.6675 12.9112 13.0163 13.1732 13.2248 13.5454 13.5890 13.7830 13.8502 16.0540 16.1181 16.7385 16.8396 17.6377 17.6563 18.0717 18.0774 k =-0.0326 0.0782 0.0847 ( 2283 PWs) bands (ev): -52.9113 -52.9113 -52.9002 -52.9002 -25.8142 -25.8131 -25.7662 -25.7660 -17.2315 -17.2220 -17.1147 -17.1058 -17.0676 -17.0624 -16.9769 -16.9687 1.2471 1.2490 3.7571 3.8076 8.2371 8.2795 11.9429 11.9532 12.5924 12.6341 12.6756 12.6766 12.9048 12.9878 13.1764 13.2467 13.5391 13.5950 13.7647 13.8194 16.0860 16.1439 16.7799 16.8716 17.6422 17.6616 18.1223 18.1466 k =-0.0272 0.0652 0.0706 ( 2281 PWs) bands (ev): -52.9114 -52.9114 -52.9002 -52.9002 -25.8139 -25.8130 -25.7658 -25.7656 -17.2307 -17.2228 -17.1128 -17.1054 -17.0660 -17.0617 -16.9757 -16.9688 1.2296 1.2311 3.7544 3.7967 8.2301 8.2658 11.9847 11.9992 12.6228 12.6709 12.6953 12.7021 12.9017 12.9609 13.1896 13.2753 13.5290 13.5982 13.7499 13.7907 16.1160 16.1666 16.8191 16.8997 17.6409 17.6576 18.1783 18.2139 k =-0.0217 0.0521 0.0565 ( 2285 PWs) bands (ev): -52.9114 -52.9114 -52.9003 -52.9003 -25.8138 -25.8130 -25.7655 -25.7653 -17.2300 -17.2237 -17.1112 -17.1053 -17.0647 -17.0612 -16.9746 -16.9690 1.2152 1.2164 3.7530 3.7869 8.2250 8.2539 12.0217 12.0380 12.6367 12.6751 12.7282 12.7322 12.9000 12.9367 13.2126 13.3078 13.5161 13.5971 13.7384 13.7653 16.1432 16.1854 16.8551 16.9227 17.6363 17.6491 18.2342 18.2757 k =-0.0163 0.0391 0.0424 ( 2281 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8135 -25.8130 -25.7652 -25.7651 -17.2292 -17.2245 -17.1097 -17.1053 -17.0635 -17.0609 -16.9735 -16.9693 1.2040 1.2049 3.7528 3.7783 8.2219 8.2437 12.0530 12.0685 12.6438 12.6738 12.7499 12.7606 12.8979 12.9162 13.2433 13.3390 13.5035 13.5900 13.7299 13.7448 16.1668 16.1995 16.8868 16.9396 17.6306 17.6395 18.2851 18.3271 k =-0.0109 0.0261 0.0282 ( 2277 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8133 -25.8129 -25.7650 -25.7649 -17.2284 -17.2253 -17.1084 -17.1055 -17.0625 -17.0608 -16.9725 -16.9697 1.1961 1.1967 3.7539 3.7709 8.2207 8.2353 12.0776 12.0898 12.6486 12.6700 12.7667 12.7789 12.8948 12.9009 13.2778 13.3599 13.4978 13.5756 13.7240 13.7304 16.1861 16.2083 16.9133 16.9495 17.6255 17.6310 18.3251 18.3590 k =-0.0054 0.0130 0.0141 ( 2273 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8131 -25.8129 -25.7648 -25.7648 -17.2276 -17.2261 -17.1073 -17.1058 -17.0617 -17.0608 -16.9716 -16.9703 1.1914 1.1917 3.7562 3.7648 8.2214 8.2288 12.0945 12.1012 12.6534 12.6647 12.7791 12.7872 12.8914 12.8921 13.3121 13.3605 13.5072 13.5542 13.7205 13.7225 16.2002 16.2115 16.9335 16.9519 17.6224 17.6250 18.3487 18.3660 k = 0.0000 0.0000 0.0000 ( 2275 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8130 -25.8130 -25.7648 -25.7648 -17.2269 -17.2269 -17.1065 -17.1065 -17.0612 -17.0612 -16.9709 -16.9709 1.1899 1.1899 3.7598 3.7598 8.2241 8.2241 12.1027 12.1027 12.6589 12.6589 12.7866 12.7866 12.8896 12.8896 13.3418 13.3418 13.5292 13.5292 13.7196 13.7196 16.2088 16.2088 16.9465 16.9465 17.6221 17.6221 18.3602 18.3602 k = 0.0000 0.0000 0.0000 ( 2275 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8130 -25.8130 -25.7648 -25.7648 -17.2269 -17.2269 -17.1065 -17.1065 -17.0612 -17.0612 -16.9709 -16.9709 1.1899 1.1899 3.7598 3.7598 8.2241 8.2241 12.1027 12.1027 12.6589 12.6589 12.7866 12.7866 12.8896 12.8896 13.3418 13.3418 13.5292 13.5292 13.7196 13.7196 16.2088 16.2088 16.9465 16.9465 17.6221 17.6221 18.3602 18.3602 k = 0.0185 0.0077-0.0000 ( 2271 PWs) bands (ev): -52.9115 -52.9115 -52.9003 -52.9003 -25.8130 -25.8130 -25.7648 -25.7648 -17.2266 -17.2266 -17.1065 -17.1065 -17.0611 -17.0611 -16.9710 -16.9710 1.1914 1.1914 3.7561 3.7561 8.2293 8.2293 12.1007 12.1007 12.6572 12.6572 12.7839 12.7839 12.8876 12.8876 13.3401 13.3401 13.5333 13.5333 13.7221 13.7221 16.2093 16.2093 16.9457 16.9457 17.6268 17.6268 18.3574 18.3574 k = 0.0370 0.0154-0.0000 ( 2271 PWs) bands (ev): -52.9115 -52.9115 -52.9004 -52.9004 -25.8128 -25.8128 -25.7649 -25.7649 -17.2262 -17.2262 -17.1066 -17.1066 -17.0611 -17.0611 -16.9715 -16.9715 1.1960 1.1960 3.7450 3.7450 8.2448 8.2448 12.0949 12.0949 12.6523 12.6523 12.7759 12.7759 12.8816 12.8816 13.3350 13.3350 13.5453 13.5453 13.7293 13.7293 16.2110 16.2110 16.9433 16.9433 17.6408 17.6408 18.3489 18.3489 k = 0.0556 0.0232-0.0000 ( 2275 PWs) bands (ev): -52.9114 -52.9114 -52.9004 -52.9004 -25.8127 -25.8127 -25.7651 -25.7651 -17.2254 -17.2254 -17.1067 -17.1067 -17.0611 -17.0611 -16.9724 -16.9724 1.2036 1.2036 3.7265 3.7265 8.2704 8.2704 12.0854 12.0854 12.6444 12.6444 12.7632 12.7632 12.8718 12.8718 13.3268 13.3268 13.5642 13.5642 13.7411 13.7411 16.2136 16.2136 16.9393 16.9393 17.6638 17.6638 18.3351 18.3351 k = 0.0741 0.0309-0.0000 ( 2275 PWs) bands (ev): -52.9114 -52.9114 -52.9005 -52.9005 -25.8124 -25.8124 -25.7654 -25.7654 -17.2243 -17.2243 -17.1068 -17.1068 -17.0610 -17.0610 -16.9735 -16.9735 1.2143 1.2143 3.7012 3.7012 8.3059 8.3059 12.0722 12.0722 12.6336 12.6336 12.7464 12.7464 12.8583 12.8583 13.3156 13.3156 13.5888 13.5888 13.7571 13.7571 16.2174 16.2174 16.9337 16.9337 17.6953 17.6953 18.3163 18.3163 k = 0.0926 0.0386-0.0000 ( 2283 PWs) bands (ev): -52.9113 -52.9113 -52.9006 -52.9006 -25.8121 -25.8121 -25.7659 -25.7659 -17.2229 -17.2229 -17.1071 -17.1071 -17.0610 -17.0610 -16.9749 -16.9749 1.2280 1.2280 3.6691 3.6691 8.3508 8.3508 12.0557 12.0557 12.6204 12.6204 12.7262 12.7262 12.8414 12.8414 13.3011 13.3011 13.6181 13.6181 13.7770 13.7770 16.2221 16.2221 16.9267 16.9267 17.7347 17.7347 18.2925 18.2925 k = 0.1111 0.0463-0.0000 ( 2283 PWs) bands (ev): -52.9112 -52.9112 -52.9007 -52.9007 -25.8116 -25.8116 -25.7663 -25.7663 -17.2212 -17.2212 -17.1074 -17.1074 -17.0608 -17.0608 -16.9767 -16.9767 1.2447 1.2447 3.6310 3.6310 8.4047 8.4047 12.0359 12.0359 12.6052 12.6052 12.7035 12.7035 12.8216 12.8216 13.2830 13.2830 13.6512 13.6512 13.8003 13.8003 16.2279 16.2279 16.9183 16.9183 17.7810 17.7810 18.2177 18.2177 k = 0.1296 0.0541-0.0000 ( 2271 PWs) bands (ev): -52.9111 -52.9111 -52.9007 -52.9007 -25.8109 -25.8109 -25.7668 -25.7668 -17.2189 -17.2189 -17.1076 -17.1076 -17.0606 -17.0606 -16.9786 -16.9786 1.2645 1.2645 3.5871 3.5871 8.4673 8.4673 12.0131 12.0131 12.5883 12.5883 12.6790 12.6790 12.7991 12.7991 13.2608 13.2608 13.6871 13.6871 13.8265 13.8265 16.2347 16.2347 16.9085 16.9085 17.8330 17.8330 18.1330 18.1330 k = 0.1481 0.0618-0.0000 ( 2275 PWs) bands (ev): -52.9109 -52.9109 -52.9009 -52.9009 -25.8103 -25.8103 -25.7674 -25.7674 -17.2166 -17.2166 -17.1081 -17.1081 -17.0605 -17.0605 -16.9809 -16.9809 1.2871 1.2871 3.5380 3.5380 8.5377 8.5377 11.9874 11.9874 12.5702 12.5702 12.6534 12.6534 12.7743 12.7743 13.2339 13.2339 13.7252 13.7252 13.8551 13.8551 16.2425 16.2425 16.8975 16.8975 17.8886 17.8886 18.0561 18.0561 k = 0.1667 0.0695-0.0000 ( 2275 PWs) bands (ev): -52.9108 -52.9108 -52.9010 -52.9010 -25.8097 -25.8097 -25.7681 -25.7681 -17.2141 -17.2141 -17.1085 -17.1085 -17.0602 -17.0602 -16.9834 -16.9834 1.3127 1.3127 3.4843 3.4843 8.6156 8.6156 11.9590 11.9590 12.5513 12.5513 12.6270 12.6270 12.7478 12.7478 13.2020 13.2020 13.7650 13.7650 13.8857 13.8857 16.2512 16.2512 16.8853 16.8853 17.9446 17.9446 17.9887 17.9887 k = 0.1852 0.0772-0.0000 ( 2275 PWs) bands (ev): -52.9106 -52.9106 -52.9012 -52.9012 -25.8089 -25.8089 -25.7688 -25.7688 -17.2112 -17.2112 -17.1091 -17.1091 -17.0600 -17.0600 -16.9862 -16.9862 1.3412 1.3412 3.4264 3.4264 8.7004 8.7004 11.9280 11.9280 12.5318 12.5318 12.6005 12.6005 12.7199 12.7199 13.1648 13.1648 13.8058 13.8058 13.9176 13.9176 16.2609 16.2609 16.8719 16.8719 17.9317 17.9317 17.9942 17.9942 k = 0.2037 0.0849-0.0000 ( 2283 PWs) bands (ev): -52.9104 -52.9104 -52.9014 -52.9014 -25.8082 -25.8082 -25.7696 -25.7696 -17.2082 -17.2082 -17.1098 -17.1098 -17.0597 -17.0597 -16.9891 -16.9891 1.3726 1.3726 3.3649 3.3649 8.7915 8.7915 11.8942 11.8942 12.5122 12.5122 12.5742 12.5742 12.6912 12.6912 13.1222 13.1222 13.8473 13.8473 13.9506 13.9506 16.2714 16.2714 16.8574 16.8574 17.8856 17.8856 18.0249 18.0249 k = 0.2222 0.0927-0.0000 ( 2291 PWs) bands (ev): -52.9102 -52.9102 -52.9017 -52.9017 -25.8074 -25.8074 -25.7706 -25.7706 -17.2050 -17.2050 -17.1106 -17.1106 -17.0593 -17.0593 -16.9924 -16.9924 1.4068 1.4068 3.3003 3.3003 8.8884 8.8884 11.8576 11.8576 12.4926 12.4926 12.5484 12.5484 12.6619 12.6619 13.0746 13.0746 13.8889 13.8889 13.9841 13.9841 16.2828 16.2828 16.8418 16.8418 17.8503 17.8503 18.0266 18.0266 k = 0.2407 0.1004-0.0000 ( 2299 PWs) bands (ev): -52.9100 -52.9100 -52.9019 -52.9019 -25.8066 -25.8066 -25.7715 -25.7715 -17.2016 -17.2016 -17.1115 -17.1115 -17.0589 -17.0589 -16.9957 -16.9957 1.4437 1.4437 3.2331 3.2331 8.9904 8.9904 11.8179 11.8179 12.4734 12.4734 12.5233 12.5233 12.6326 12.6326 13.0225 13.0225 13.9303 13.9303 14.0177 14.0177 16.2951 16.2951 16.8253 16.8253 17.8250 17.8250 18.0060 18.0060 k = 0.2593 0.1081-0.0000 ( 2299 PWs) bands (ev): -52.9098 -52.9098 -52.9022 -52.9022 -25.8056 -25.8056 -25.7725 -25.7725 -17.1978 -17.1978 -17.1125 -17.1125 -17.0585 -17.0585 -16.9992 -16.9992 1.4834 1.4834 3.1637 3.1637 9.0972 9.0972 11.7747 11.7747 12.4548 12.4548 12.4993 12.4993 12.6036 12.6036 12.9665 12.9665 13.9711 13.9711 14.0511 14.0511 16.3082 16.3082 16.8080 16.8080 17.8083 17.8083 17.9749 17.9749 k = 0.2778 0.1158-0.0000 ( 2299 PWs) bands (ev): -52.9096 -52.9096 -52.9024 -52.9024 -25.8046 -25.8046 -25.7735 -25.7735 -17.1939 -17.1939 -17.1136 -17.1136 -17.0579 -17.0579 -17.0028 -17.0028 1.5257 1.5257 3.0925 3.0925 9.2082 9.2082 11.7275 11.7275 12.4369 12.4369 12.4763 12.4763 12.5754 12.5754 12.9079 12.9079 14.0110 14.0110 14.0838 14.0838 16.3221 16.3221 16.7898 16.7898 17.7973 17.7973 17.9395 17.9395 k = 0.2963 0.1236-0.0000 ( 2299 PWs) bands (ev): -52.9093 -52.9093 -52.9027 -52.9027 -25.8035 -25.8035 -25.7746 -25.7746 -17.1898 -17.1898 -17.1149 -17.1149 -17.0573 -17.0573 -17.0064 -17.0064 1.5706 1.5706 3.0199 3.0199 9.3230 9.3230 11.6757 11.6757 12.4200 12.4200 12.4547 12.4547 12.5483 12.5483 12.8477 12.8477 14.0495 14.0495 14.1154 14.1154 16.3367 16.3367 16.7709 16.7709 17.7880 17.7880 17.9029 17.9029 k = 0.3148 0.1313-0.0000 ( 2307 PWs) bands (ev): -52.9091 -52.9091 -52.9029 -52.9029 -25.8024 -25.8024 -25.7758 -25.7758 -17.1856 -17.1856 -17.1163 -17.1163 -17.0567 -17.0567 -17.0102 -17.0102 1.6181 1.6181 2.9463 2.9463 9.4409 9.4409 11.6187 11.6187 12.4041 12.4041 12.4345 12.4345 12.5226 12.5226 12.7874 12.7874 14.0864 14.0864 14.1456 14.1456 16.3521 16.3521 16.7513 16.7513 17.7760 17.7760 17.8665 17.8665 k = 0.3333 0.1390-0.0000 ( 2299 PWs) bands (ev): -52.9088 -52.9088 -52.9032 -52.9032 -25.8010 -25.8010 -25.7770 -25.7770 -17.1811 -17.1811 -17.1179 -17.1179 -17.0558 -17.0558 -17.0138 -17.0138 1.6680 1.6680 2.8720 2.8720 9.5617 9.5617 11.5557 11.5557 12.3895 12.3895 12.4158 12.4158 12.4988 12.4988 12.7286 12.7286 14.1213 14.1213 14.1740 14.1740 16.3683 16.3683 16.7312 16.7312 17.7598 17.7598 17.8314 17.8314 k = 0.3519 0.1467-0.0000 ( 2307 PWs) bands (ev): -52.9085 -52.9085 -52.9035 -52.9035 -25.7998 -25.7998 -25.7783 -25.7783 -17.1768 -17.1768 -17.1198 -17.1198 -17.0550 -17.0550 -17.0176 -17.0176 1.7203 1.7203 2.7973 2.7973 9.6847 9.6847 11.4861 11.4861 12.3762 12.3762 12.3987 12.3987 12.4770 12.4770 12.6725 12.6725 14.1538 14.1538 14.2003 14.2003 16.3851 16.3851 16.7106 16.7106 17.7405 17.7405 17.7981 17.7981 k = 0.3704 0.1544-0.0000 ( 2307 PWs) bands (ev): -52.9082 -52.9082 -52.9038 -52.9038 -25.7986 -25.7986 -25.7796 -25.7796 -17.1723 -17.1723 -17.1218 -17.1218 -17.0540 -17.0540 -17.0212 -17.0212 1.7750 1.7750 2.7225 2.7225 9.8095 9.8095 11.4096 11.4096 12.3642 12.3642 12.3833 12.3833 12.4578 12.4578 12.6206 12.6206 14.1837 14.1837 14.2240 14.2240 16.4026 16.4026 16.6896 16.6896 17.7203 17.7203 17.7672 17.7672 k = 0.3889 0.1622-0.0000 ( 2308 PWs) bands (ev): -52.9079 -52.9079 -52.9041 -52.9041 -25.7972 -25.7972 -25.7809 -25.7809 -17.1679 -17.1679 -17.1240 -17.1240 -17.0529 -17.0529 -17.0247 -17.0247 1.8319 1.8319 2.6478 2.6478 9.9356 9.9356 11.3257 11.3257 12.3537 12.3537 12.3696 12.3696 12.4413 12.4413 12.5737 12.5737 14.2107 14.2107 14.2450 14.2450 16.4207 16.4207 16.6684 16.6684 17.7009 17.7009 17.7392 17.7392 k = 0.4074 0.1699-0.0000 ( 2300 PWs) bands (ev): -52.9076 -52.9076 -52.9044 -52.9044 -25.7958 -25.7958 -25.7822 -25.7822 -17.1633 -17.1633 -17.1265 -17.1265 -17.0515 -17.0515 -17.0280 -17.0280 1.8909 1.8909 2.5735 2.5735 10.0626 10.0626 11.2346 11.2346 12.3449 12.3449 12.3578 12.3578 12.4280 12.4280 12.5326 12.5326 14.2345 14.2345 14.2629 14.2629 16.4394 16.4394 16.6469 16.6469 17.6836 17.6836 17.7145 17.7145 k = 0.4259 0.1776-0.0000 ( 2304 PWs) bands (ev): -52.9073 -52.9073 -52.9047 -52.9047 -25.7945 -25.7945 -25.7835 -25.7835 -17.1590 -17.1590 -17.1292 -17.1292 -17.0501 -17.0501 -17.0312 -17.0312 1.9519 1.9519 2.4997 2.4997 10.1898 10.1898 11.1367 11.1367 12.3376 12.3376 12.3477 12.3477 12.4180 12.4180 12.4976 12.4976 14.2548 14.2548 14.2774 14.2774 16.4586 16.4586 16.6254 16.6254 17.6690 17.6690 17.6932 17.6932 k = 0.4444 0.1853-0.0000 ( 2304 PWs) bands (ev): -52.9070 -52.9070 -52.9050 -52.9050 -25.7931 -25.7931 -25.7849 -25.7849 -17.1547 -17.1547 -17.1322 -17.1322 -17.0484 -17.0484 -17.0343 -17.0343 2.0149 2.0149 2.4268 2.4268 10.3167 10.3167 11.0323 11.0323 12.3321 12.3321 12.3395 12.3395 12.4116 12.4116 12.4689 12.4689 14.2715 14.2715 14.2884 14.2884 16.4783 16.4783 16.6038 16.6038 17.6579 17.6579 17.6757 17.6757 k = 0.4630 0.1931-0.0000 ( 2292 PWs) bands (ev): -52.9066 -52.9066 -52.9053 -52.9053 -25.7916 -25.7916 -25.7862 -25.7862 -17.1504 -17.1504 -17.1353 -17.1353 -17.0465 -17.0465 -17.0371 -17.0371 2.0798 2.0798 2.3548 2.3548 10.4426 10.4426 10.9224 10.9224 12.3284 12.3284 12.3334 12.3334 12.4093 12.4093 12.4462 12.4462 14.2843 14.2843 14.2955 14.2955 16.4985 16.4985 16.5824 16.5824 17.6506 17.6506 17.6623 17.6623 k = 0.4815 0.2008-0.0000 ( 2292 PWs) bands (ev): -52.9063 -52.9063 -52.9056 -52.9056 -25.7902 -25.7902 -25.7876 -25.7876 -17.1463 -17.1463 -17.1388 -17.1388 -17.0445 -17.0445 -17.0397 -17.0397 2.1463 2.1463 2.2839 2.2839 10.5669 10.5669 10.8076 10.8076 12.3267 12.3267 12.3291 12.3291 12.4112 12.4112 12.4293 12.4293 14.2932 14.2932 14.2988 14.2988 16.5190 16.5190 16.5610 16.5610 17.6472 17.6472 17.6531 17.6531 k = 0.5000 0.2085-0.0000 ( 2276 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7887 -25.7887 -25.7887 -25.7887 -17.1423 -17.1423 -17.1423 -17.1423 -17.0421 -17.0421 -17.0421 -17.0421 2.2144 2.2144 2.2144 2.2144 10.6889 10.6889 10.6889 10.6889 12.3269 12.3269 12.3269 12.3269 12.4178 12.4178 12.4178 12.4178 14.2980 14.2980 14.2980 14.2980 16.5399 16.5399 16.5399 16.5399 17.6480 17.6480 17.6480 17.6480 k = 0.5000 0.2085-0.0000 ( 2276 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7887 -25.7887 -25.7887 -25.7887 -17.1423 -17.1423 -17.1423 -17.1423 -17.0421 -17.0421 -17.0421 -17.0421 2.2144 2.2144 2.2144 2.2144 10.6889 10.6889 10.6889 10.6889 12.3269 12.3269 12.3269 12.3269 12.4178 12.4178 12.4178 12.4178 14.2980 14.2980 14.2980 14.2980 16.5399 16.5399 16.5399 16.5399 17.6480 17.6480 17.6480 17.6480 k = 0.4946 0.2215 0.0141 ( 2284 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7890 -25.7889 -25.7888 -25.7887 -17.1438 -17.1438 -17.1411 -17.1410 -17.0435 -17.0432 -17.0411 -17.0409 2.2139 2.2152 2.2160 2.2176 10.6860 10.6865 10.6907 10.6909 12.2921 12.3044 12.3289 12.3326 12.4026 12.4117 12.4453 12.4517 14.2911 14.2927 14.2981 14.3036 16.5279 16.5402 16.5415 16.5545 17.6333 17.6389 17.6540 17.6563 k = 0.4891 0.2346 0.0282 ( 2288 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7892 -25.7890 -25.7889 -25.7888 -17.1455 -17.1453 -17.1400 -17.1398 -17.0451 -17.0445 -17.0402 -17.0399 2.2162 2.2186 2.2201 2.2236 10.6817 10.6833 10.6919 10.6931 12.2404 12.2580 12.3291 12.3338 12.3831 12.4068 12.4909 12.4995 14.2724 14.2753 14.3040 14.3149 16.5061 16.5304 16.5577 16.5838 17.6093 17.6269 17.6531 17.6646 k = 0.4837 0.2476 0.0424 ( 2294 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7894 -25.7893 -25.7891 -25.7888 -17.1472 -17.1471 -17.1390 -17.1386 -17.0469 -17.0459 -17.0394 -17.0391 2.2209 2.2246 2.2264 2.2325 10.6758 10.6787 10.6929 10.6955 12.1834 12.2044 12.3288 12.3342 12.3580 12.3961 12.5417 12.5503 14.2427 14.2466 14.3156 14.3317 16.4744 16.5105 16.5880 16.6272 17.5767 17.6087 17.6489 17.6733 k = 0.4783 0.2606 0.0565 ( 2296 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7897 -25.7895 -25.7893 -25.7888 -17.1491 -17.1490 -17.1381 -17.1375 -17.0489 -17.0474 -17.0386 -17.0383 2.2282 2.2334 2.2351 2.2442 10.6679 10.6722 10.6937 10.6979 12.1234 12.1478 12.3178 12.3312 12.3382 12.3832 12.5934 12.6017 14.2032 14.2077 14.3326 14.3537 16.4339 16.4811 16.6312 16.6838 17.5364 17.5825 17.6443 17.6827 k = 0.4728 0.2737 0.0706 ( 2290 PWs) bands (ev): -52.9059 -52.9059 -52.9058 -52.9058 -25.7899 -25.7898 -25.7895 -25.7889 -17.1510 -17.1510 -17.1372 -17.1363 -17.0510 -17.0490 -17.0378 -17.0376 2.2378 2.2449 2.2461 2.2587 10.6579 10.6633 10.6942 10.7003 12.0609 12.0890 12.2840 12.3193 12.3374 12.3748 12.6450 12.6530 14.1554 14.1599 14.3550 14.3807 16.3855 16.4433 16.6858 16.7521 17.4897 17.5481 17.6401 17.6929 k = 0.4674 0.2867 0.0847 ( 2286 PWs) bands (ev): -52.9058 -52.9058 -52.9057 -52.9057 -25.7902 -25.7901 -25.7897 -25.7890 -17.1532 -17.1531 -17.1364 -17.1353 -17.0534 -17.0508 -17.0371 -17.0370 2.2497 2.2592 2.2594 2.2761 10.6454 10.6519 10.6939 10.7020 11.9958 12.0284 12.2447 12.2972 12.3400 12.3740 12.6961 12.7038 14.1007 14.1048 14.3824 14.4126 16.3303 16.3981 16.7498 16.8307 17.4376 17.5068 17.6364 17.7040 k = 0.4620 0.2997 0.0988 ( 2286 PWs) bands (ev): -52.9058 -52.9058 -52.9056 -52.9056 -25.7906 -25.7905 -25.7901 -25.7891 -17.1556 -17.1554 -17.1357 -17.1343 -17.0560 -17.0528 -17.0366 -17.0363 2.2639 2.2748 2.2763 2.2962 10.6303 10.6376 10.6922 10.7024 11.9283 11.9659 12.2039 12.2695 12.3437 12.3779 12.7463 12.7540 14.0406 14.0436 14.4147 14.4489 16.2695 16.3466 16.8213 16.9180 17.3811 17.4597 17.6327 17.7163 k = 0.4565 0.3128 0.1130 ( 2286 PWs) bands (ev): -52.9057 -52.9057 -52.9055 -52.9055 -25.7909 -25.7909 -25.7905 -25.7893 -17.1582 -17.1578 -17.1351 -17.1333 -17.0589 -17.0549 -17.0362 -17.0356 2.2803 2.2924 2.2961 2.3190 10.6124 10.6201 10.6882 10.7006 11.8587 11.9021 12.1638 12.2402 12.3481 12.3840 12.7956 12.8033 13.9765 13.9779 14.4514 14.4895 16.2043 16.2900 16.8984 17.0128 17.3212 17.4081 17.6288 17.7303 k = 0.4511 0.3258 0.1271 ( 2286 PWs) bands (ev): -52.9057 -52.9057 -52.9054 -52.9054 -25.7914 -25.7914 -25.7909 -25.7896 -17.1610 -17.1604 -17.1345 -17.1325 -17.0619 -17.0571 -17.0359 -17.0349 2.2989 2.3121 2.3187 2.3445 10.5913 10.5994 10.6806 10.6955 11.7880 11.8379 12.1257 12.2118 12.3531 12.3914 12.8440 12.8516 13.9087 13.9095 14.4924 14.5343 16.1355 16.2294 16.9786 17.1134 17.2589 17.3531 17.6248 17.7469 k = 0.4457 0.3388 0.1412 ( 2282 PWs) bands (ev): -52.9056 -52.9056 -52.9052 -52.9052 -25.7920 -25.7918 -25.7914 -25.7897 -17.1639 -17.1631 -17.1339 -17.1316 -17.0651 -17.0596 -17.0355 -17.0342 2.3197 2.3340 2.3438 2.3726 10.5669 10.5752 10.6680 10.6852 11.7181 11.7745 12.0907 12.1856 12.3585 12.3995 12.8913 12.8987 13.8373 13.8408 14.5375 14.5831 16.0644 16.1658 17.0587 17.1957 17.2161 17.2976 17.6209 17.7669 k = 0.4402 0.3519 0.1553 ( 2278 PWs) bands (ev): -52.9055 -52.9055 -52.9051 -52.9051 -25.7926 -25.7923 -25.7919 -25.7899 -17.1670 -17.1660 -17.1334 -17.1308 -17.0684 -17.0622 -17.0352 -17.0334 2.3426 2.3578 2.3715 2.4033 10.5389 10.5475 10.6487 10.6679 11.6511 11.7141 12.0596 12.1625 12.3641 12.4080 12.9375 12.9444 13.7645 13.7716 14.5863 14.6356 15.9918 16.1003 17.1117 17.1567 17.2286 17.3325 17.6182 17.7917 k = 0.4348 0.3649 0.1694 ( 2282 PWs) bands (ev): -52.9055 -52.9055 -52.9050 -52.9049 -25.7933 -25.7929 -25.7925 -25.7903 -17.1703 -17.1692 -17.1329 -17.1301 -17.0720 -17.0649 -17.0349 -17.0327 2.3676 2.3836 2.4017 2.4364 10.5074 10.5161 10.6207 10.6412 11.5901 11.6589 12.0327 12.1431 12.3699 12.4167 12.9825 12.9882 13.6912 13.7029 14.6386 14.6919 15.9186 16.0336 17.0560 17.1681 17.2206 17.4349 17.6218 17.8224 k = 0.4293 0.3779 0.1836 ( 2278 PWs) bands (ev): -52.9054 -52.9054 -52.9048 -52.9048 -25.7940 -25.7935 -25.7929 -25.7906 -17.1737 -17.1724 -17.1325 -17.1294 -17.0757 -17.0678 -17.0346 -17.0319 2.3947 2.4114 2.4343 2.4720 10.4721 10.4811 10.5823 10.6028 11.5380 11.6113 12.0099 12.1275 12.3754 12.4251 13.0263 13.0294 13.6183 13.6360 14.6942 14.7516 15.8456 15.9667 16.9895 17.1046 17.2872 17.5130 17.6530 17.8591 k = 0.4239 0.3910 0.1977 ( 2275 PWs) bands (ev): -52.9053 -52.9053 -52.9046 -52.9046 -25.7948 -25.7941 -25.7934 -25.7909 -17.1774 -17.1757 -17.1321 -17.1288 -17.0796 -17.0707 -17.0342 -17.0311 2.4237 2.4410 2.4692 2.5098 10.4329 10.4425 10.5322 10.5513 11.4972 11.5733 11.9913 12.1156 12.3807 12.4331 13.0672 13.0688 13.5464 13.5726 14.7526 14.8146 15.7736 15.9003 16.9223 17.0400 17.3442 17.5365 17.7397 17.8974 k = 0.4185 0.4040 0.2118 ( 2271 PWs) bands (ev): -52.9052 -52.9052 -52.9044 -52.9044 -25.7955 -25.7948 -25.7939 -25.7913 -17.1811 -17.1792 -17.1317 -17.1282 -17.0836 -17.0737 -17.0339 -17.0302 2.4546 2.4724 2.5063 2.5498 10.3892 10.3998 10.4704 10.4869 11.4691 11.5461 11.9765 12.1070 12.3852 12.4402 13.0995 13.1098 13.4764 13.5149 14.8134 14.8807 15.7035 15.8352 16.8552 16.9746 17.3896 17.5309 17.8544 17.9206 k = 0.4130 0.4170 0.2259 ( 2275 PWs) bands (ev): -52.9051 -52.9051 -52.9043 -52.9043 -25.7964 -25.7957 -25.7945 -25.7917 -17.1851 -17.1830 -17.1313 -17.1278 -17.0878 -17.0769 -17.0335 -17.0293 2.4874 2.5055 2.5455 2.5919 10.3384 10.3508 10.3998 10.4129 11.4538 11.5301 11.9651 12.1014 12.3889 12.4460 13.1232 13.1489 13.4092 13.4666 14.8758 14.9494 15.6364 15.7723 16.7889 16.9087 17.4238 17.5141 17.8755 17.9030 k = 0.4076 0.4301 0.2401 ( 2275 PWs) bands (ev): -52.9050 -52.9050 -52.9041 -52.9041 -25.7973 -25.7965 -25.7951 -25.7921 -17.1892 -17.1868 -17.1310 -17.1275 -17.0920 -17.0800 -17.0330 -17.0283 2.5220 2.5403 2.5867 2.6359 10.2726 10.2855 10.3319 10.3392 11.4501 11.5245 11.9568 12.0983 12.3911 12.4501 13.1336 13.1853 13.3463 13.4328 14.9386 15.0201 15.5736 15.7125 16.7239 16.8428 17.4481 17.4895 17.8084 17.8495 k = 0.4022 0.4431 0.2542 ( 2279 PWs) bands (ev): -52.9049 -52.9049 -52.9039 -52.9039 -25.7983 -25.7974 -25.7956 -25.7925 -17.1934 -17.1907 -17.1308 -17.1274 -17.0963 -17.0832 -17.0326 -17.0273 2.5583 2.5766 2.6297 2.6817 10.1833 10.1967 10.2759 10.2769 11.4566 11.5283 11.9510 12.0972 12.3917 12.4519 13.1266 13.2136 13.2934 13.4178 15.0000 15.0918 15.5171 15.6574 16.6607 16.7770 17.4574 17.4643 17.7487 17.7816 k = 0.3967 0.4561 0.2683 ( 2283 PWs) bands (ev): -52.9048 -52.9048 -52.9037 -52.9037 -25.7993 -25.7983 -25.7962 -25.7930 -17.1978 -17.1947 -17.1306 -17.1275 -17.1007 -17.0862 -17.0321 -17.0263 2.5962 2.6144 2.6743 2.7292 10.0775 10.0946 10.2213 10.2236 11.4715 11.5401 11.9473 12.0975 12.3901 12.4507 13.1036 13.2041 13.2811 13.4208 15.0560 15.1622 15.4708 15.6094 16.5999 16.7115 17.4184 17.4738 17.6981 17.7110 k = 0.3913 0.4692 0.2824 ( 2287 PWs) bands (ev): -52.9047 -52.9047 -52.9035 -52.9035 -25.8003 -25.7993 -25.7967 -25.7934 -17.2022 -17.1988 -17.1305 -17.1278 -17.1051 -17.0892 -17.0316 -17.0252 2.6357 2.6536 2.7205 2.7782 9.9628 9.9850 10.1673 10.1714 11.4935 11.5587 11.9452 12.0988 12.3858 12.4461 13.0705 13.1606 13.3058 13.4359 15.0999 15.2266 15.4410 15.5736 16.5422 16.6465 17.3744 17.4777 17.6432 17.6565 k = 0.3859 0.4822 0.2965 ( 2283 PWs) bands (ev): -52.9046 -52.9046 -52.9033 -52.9033 -25.8013 -25.8002 -25.7972 -25.7938 -17.2067 -17.2028 -17.1304 -17.1283 -17.1094 -17.0919 -17.0309 -17.0240 2.6766 2.6940 2.7680 2.8285 9.8428 9.8704 10.1133 10.1187 11.5211 11.5828 11.9442 12.1005 12.3783 12.4373 13.0336 13.1161 13.3353 13.4573 15.1224 15.2749 15.4368 15.5599 16.4885 16.5825 17.3284 17.4757 17.5820 17.6220 k = 0.3804 0.4952 0.3107 ( 2279 PWs) bands (ev): -52.9045 -52.9045 -52.9031 -52.9031 -25.8023 -25.8012 -25.7977 -25.7942 -17.2111 -17.2069 -17.1304 -17.1291 -17.1136 -17.0943 -17.0302 -17.0228 2.7190 2.7357 2.8167 2.8799 9.7194 9.7523 10.0592 10.0657 11.5535 11.6112 11.9438 12.1023 12.3674 12.4241 12.9968 13.0760 13.3640 13.4810 15.1195 15.2945 15.4609 15.5812 16.4401 16.5195 17.2836 17.4646 17.5331 17.5923 k = 0.3750 0.5083 0.3248 ( 2277 PWs) bands (ev): -52.9044 -52.9044 -52.9029 -52.9029 -25.8033 -25.8021 -25.7982 -25.7946 -17.2156 -17.2111 -17.1307 -17.1303 -17.1176 -17.0965 -17.0295 -17.0216 2.7626 2.7785 2.8664 2.9322 9.5940 9.6322 10.0050 10.0124 11.5898 11.6429 11.9437 12.1040 12.3525 12.4061 12.9626 13.0416 13.3909 13.5046 15.0987 15.2868 15.5046 15.6361 16.3987 16.4581 17.2428 17.4388 17.5039 17.5655 k = 0.3696 0.5213 0.3389 ( 2277 PWs) bands (ev): -52.9043 -52.9043 -52.9026 -52.9026 -25.8043 -25.8030 -25.7987 -25.7951 -17.2202 -17.2152 -17.1319 -17.1315 -17.1212 -17.0983 -17.0288 -17.0203 2.8074 2.8222 2.9167 2.9851 9.4679 9.5110 9.9509 9.9592 11.6291 11.6768 11.9437 12.1055 12.3338 12.3836 12.9320 13.0128 13.4156 13.5268 15.0698 15.2648 15.5560 15.7111 16.3667 16.3986 17.2078 17.4049 17.4889 17.5404 k = 0.3641 0.5343 0.3530 ( 2273 PWs) bands (ev): -52.9042 -52.9042 -52.9024 -52.9024 -25.8053 -25.8039 -25.7992 -25.7955 -17.2247 -17.2193 -17.1338 -17.1330 -17.1238 -17.0998 -17.0280 -17.0190 2.8532 2.8668 2.9675 3.0385 9.3419 9.3897 9.8971 9.9062 11.6706 11.7117 11.9437 12.1071 12.3114 12.3569 12.9056 12.9894 13.4378 13.5464 15.0387 15.2384 15.6061 15.7963 16.3418 16.3472 17.1802 17.3742 17.4779 17.5161 k = 0.3587 0.5474 0.3671 ( 2277 PWs) bands (ev): -52.9042 -52.9042 -52.9022 -52.9022 -25.8064 -25.8049 -25.7997 -25.7960 -17.2293 -17.2234 -17.1361 -17.1358 -17.1254 -17.1010 -17.0272 -17.0177 2.9000 2.9121 3.0185 3.0919 9.2168 9.2691 9.8439 9.8537 11.7132 11.7458 11.9440 12.1095 12.2857 12.3267 12.8833 12.9706 13.4573 13.5629 15.0087 15.2121 15.6481 15.8858 16.2886 16.3438 17.1608 17.3506 17.4677 17.4921 k = 0.3533 0.5604 0.3813 ( 2277 PWs) bands (ev): -52.9041 -52.9041 -52.9019 -52.9019 -25.8075 -25.8059 -25.8002 -25.7964 -17.2337 -17.2274 -17.1392 -17.1387 -17.1262 -17.1019 -17.0263 -17.0164 2.9476 2.9581 3.0695 3.1451 9.0934 9.1500 9.7915 9.8020 11.7551 11.7771 11.9457 12.1142 12.2574 12.2940 12.8648 12.9555 13.4740 13.5757 14.9813 15.1879 15.6775 15.9749 16.2420 16.3594 17.1504 17.3351 17.4579 17.4680 k = 0.3478 0.5734 0.3954 ( 2289 PWs) bands (ev): -52.9040 -52.9040 -52.9018 -52.9018 -25.8087 -25.8070 -25.8007 -25.7968 -17.2382 -17.2315 -17.1431 -17.1416 -17.1267 -17.1026 -17.0255 -17.0151 2.9959 3.0046 3.1200 3.1978 8.9724 9.0330 9.7401 9.7512 11.7930 11.8027 11.9512 12.1230 12.2274 12.2597 12.8497 12.9435 13.4879 13.5845 14.9574 15.1669 15.6921 16.0502 16.2140 16.3950 17.1492 17.3271 17.4438 17.4493 k = 0.3424 0.5865 0.4095 ( 2291 PWs) bands (ev): -52.9040 -52.9040 -52.9016 -52.9016 -25.8097 -25.8080 -25.8011 -25.7972 -17.2426 -17.2353 -17.1469 -17.1445 -17.1270 -17.1031 -17.0246 -17.0137 3.0447 3.0514 3.1698 3.2495 8.8545 8.9188 9.6900 9.7016 11.8198 11.8212 11.9655 12.1380 12.1970 12.2254 12.8374 12.9335 13.4991 13.5893 14.9375 15.1495 15.6930 16.0727 16.2427 16.4488 17.1574 17.3247 17.4196 17.4442 k = 0.3370 0.5995 0.4236 ( 2291 PWs) bands (ev): -52.9039 -52.9039 -52.9013 -52.9013 -25.8108 -25.8089 -25.8015 -25.7976 -17.2467 -17.2390 -17.1507 -17.1475 -17.1272 -17.1034 -17.0236 -17.0124 3.0938 3.0985 3.2186 3.2999 8.7403 8.8082 9.6413 9.6534 11.8261 11.8345 11.9918 12.1548 12.1680 12.1977 12.8273 12.9251 13.5076 13.5899 14.9219 15.1360 15.6830 16.0457 16.3238 16.5171 17.1741 17.3238 17.3960 17.4465 k = 0.3315 0.6125 0.4377 ( 2291 PWs) bands (ev): -52.9038 -52.9038 -52.9011 -52.9011 -25.8118 -25.8099 -25.8018 -25.7979 -17.2508 -17.2425 -17.1544 -17.1506 -17.1274 -17.1037 -17.0227 -17.0110 3.1431 3.1457 3.2660 3.3486 8.6303 8.7015 9.5943 9.6067 11.8211 11.8342 12.0244 12.1407 12.1455 12.2101 12.8189 12.9176 13.5137 13.5866 14.9105 15.1265 15.6653 16.0059 16.4200 16.5960 17.1977 17.3195 17.3747 17.4609 k = 0.3261 0.6256 0.4519 ( 2287 PWs) bands (ev): -52.9038 -52.9038 -52.9009 -52.9009 -25.8128 -25.8108 -25.8020 -25.7981 -17.2547 -17.2459 -17.1579 -17.1535 -17.1276 -17.1038 -17.0216 -17.0096 3.1922 3.1928 3.3116 3.3951 8.5253 8.5996 9.5491 9.5616 11.8060 11.8244 12.0436 12.1078 12.1450 12.2497 12.8119 12.9107 13.5175 13.5797 14.9034 15.1211 15.6424 15.9633 16.5207 16.6822 17.2227 17.3091 17.3603 17.4896 k = 0.3207 0.6386 0.4660 ( 2291 PWs) bands (ev): -52.9038 -52.9038 -52.9007 -52.9007 -25.8138 -25.8117 -25.8023 -25.7984 -17.2585 -17.2491 -17.1613 -17.1565 -17.1279 -17.1040 -17.0207 -17.0082 3.2397 3.2410 3.3552 3.4388 8.4259 8.5030 9.5058 9.5185 11.7824 11.8083 12.0338 12.0732 12.1792 12.2979 12.8060 12.9042 13.5196 13.5696 14.9004 15.1194 15.6162 15.9196 16.6230 16.7727 17.2370 17.2934 17.3644 17.5313 k = 0.3152 0.6516 0.4801 ( 2287 PWs) bands (ev): -52.9037 -52.9037 -52.9005 -52.9005 -25.8146 -25.8124 -25.8025 -25.7986 -17.2621 -17.2521 -17.1645 -17.1592 -17.1281 -17.1041 -17.0197 -17.0068 3.2862 3.2890 3.3965 3.4794 8.3327 8.4123 9.4647 9.4773 11.7519 11.7874 12.0107 12.0390 12.2311 12.3514 12.8010 12.8979 13.5201 13.5569 14.9013 15.1215 15.5879 15.8754 16.7260 16.8656 17.2305 17.2736 17.3958 17.5836 k = 0.3098 0.6647 0.4942 ( 2293 PWs) bands (ev): -52.9037 -52.9037 -52.9003 -52.9003 -25.8156 -25.8134 -25.8027 -25.7989 -17.2655 -17.2550 -17.1676 -17.1620 -17.1285 -17.1042 -17.0187 -17.0055 3.3321 3.3356 3.4356 3.5162 8.2462 8.3282 9.4259 9.4382 11.7154 11.7624 11.9848 12.0059 12.2896 12.4086 12.7968 12.8918 13.5195 13.5421 14.9058 15.1270 15.5582 15.8305 16.8289 16.9587 17.2102 17.2510 17.4460 17.6440 k = 0.3043 0.6777 0.5083 ( 2285 PWs) bands (ev): -52.9037 -52.9037 -52.9001 -52.9001 -25.8164 -25.8141 -25.8028 -25.7989 -17.2687 -17.2575 -17.1703 -17.1645 -17.1288 -17.1042 -17.0176 -17.0041 3.3772 3.3798 3.4726 3.5489 8.1673 8.2511 9.3895 9.4014 11.6740 11.7338 11.9591 11.9744 12.3513 12.4682 12.7933 12.8861 13.5181 13.5259 14.9135 15.1358 15.5276 15.7848 16.9307 17.0502 17.1847 17.2264 17.5048 17.7099 k = 0.2989 0.6907 0.5225 ( 2289 PWs) bands (ev): -52.9037 -52.9037 -52.8999 -52.8999 -25.8173 -25.8149 -25.8029 -25.7991 -17.2717 -17.2599 -17.1730 -17.1669 -17.1292 -17.1044 -17.0167 -17.0028 3.4200 3.4213 3.5086 3.5770 8.0964 8.1817 9.3557 9.3670 11.6282 11.7020 11.9345 11.9448 12.4149 12.5296 12.7904 12.8808 13.5090 13.5164 14.9238 15.1476 15.4966 15.7379 17.0277 17.1370 17.1603 17.2012 17.5656 17.7784 k = 0.2935 0.7038 0.5366 ( 2289 PWs) bands (ev): -52.9037 -52.9037 -52.8997 -52.8997 -25.8182 -25.8156 -25.8029 -25.7991 -17.2745 -17.2620 -17.1753 -17.1691 -17.1297 -17.1045 -17.0156 -17.0014 3.4541 3.4640 3.5449 3.6001 8.0341 8.1206 9.3246 9.3350 11.5786 11.6672 11.9117 11.9173 12.4797 12.5920 12.7884 12.8763 13.4919 13.5147 14.9363 15.1619 15.4653 15.6897 17.0880 17.1677 17.1694 17.2249 17.6223 17.8446 k = 0.2880 0.7168 0.5507 ( 2289 PWs) bands (ev): -52.9037 -52.9037 -52.8996 -52.8996 -25.8190 -25.8163 -25.8028 -25.7991 -17.2770 -17.2639 -17.1774 -17.1711 -17.1302 -17.1047 -17.0147 -17.0001 3.4803 3.5047 3.5829 3.6182 7.9809 8.0681 9.2963 9.3057 11.5257 11.6298 11.8907 11.8921 12.5452 12.6542 12.7871 12.8732 13.4752 13.5133 14.9502 15.1785 15.4344 15.6401 17.0730 17.1398 17.2501 17.2980 17.6679 17.9023 k = 0.2826 0.7298 0.5648 ( 2293 PWs) bands (ev): -52.9037 -52.9037 -52.8994 -52.8994 -25.8197 -25.8170 -25.8028 -25.7991 -17.2794 -17.2655 -17.1793 -17.1729 -17.1308 -17.1049 -17.0137 -16.9989 3.4977 3.5420 3.6229 3.6321 7.9371 8.0246 9.2708 9.2790 11.4701 11.5899 11.8694 11.8719 12.6109 12.7148 12.7869 12.8729 13.4596 13.5126 14.9645 15.1968 15.4044 15.5891 17.0422 17.1094 17.3412 17.3624 17.6984 17.9450 k = 0.2772 0.7429 0.5789 ( 2299 PWs) bands (ev): -52.9038 -52.9038 -52.8993 -52.8993 -25.8205 -25.8177 -25.8027 -25.7991 -17.2815 -17.2669 -17.1809 -17.1744 -17.1314 -17.1051 -17.0128 -16.9976 3.5067 3.5727 3.6446 3.6639 7.9032 7.9906 9.2484 9.2551 11.4121 11.5479 11.8492 11.8553 12.6759 12.7695 12.7882 12.8793 13.4456 13.5129 14.9780 15.2165 15.3762 15.5370 17.0084 17.0779 17.4152 17.4272 17.7173 17.9715 k = 0.2717 0.7559 0.5931 ( 2299 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8211 -25.8183 -25.8025 -25.7990 -17.2833 -17.2680 -17.1822 -17.1757 -17.1321 -17.1054 -17.0118 -16.9964 3.5077 3.5898 3.6624 3.7052 7.8793 7.9662 9.2291 9.2340 11.3524 11.5041 11.8317 11.8409 12.7376 12.7936 12.8081 12.9022 13.4336 13.5146 14.9890 15.2366 15.3511 15.4843 16.9733 17.0454 17.4561 17.5025 17.7324 17.9844 k = 0.2717 0.7559 0.5931 ( 2299 PWs) bands (ev): -52.9038 -52.9038 -52.8991 -52.8991 -25.8211 -25.8183 -25.8025 -25.7990 -17.2833 -17.2680 -17.1822 -17.1757 -17.1321 -17.1054 -17.0118 -16.9964 3.5077 3.5898 3.6624 3.7052 7.8793 7.9662 9.2291 9.2340 11.3524 11.5041 11.8317 11.8409 12.7376 12.7936 12.8081 12.9022 13.4336 13.5146 14.9890 15.2366 15.3511 15.4843 16.9733 17.0454 17.4561 17.5025 17.7324 17.9844 k = 0.2536 0.7524 0.5968 ( 2299 PWs) bands (ev): -52.9039 -52.9038 -52.8991 -52.8991 -25.8213 -25.8184 -25.8024 -25.7989 -17.2837 -17.2683 -17.1824 -17.1760 -17.1323 -17.1056 -17.0115 -16.9961 3.5060 3.5875 3.6726 3.7169 7.8758 7.9622 9.2228 9.2270 11.3379 11.4922 11.8275 11.8374 12.7514 12.7984 12.8138 12.9119 13.4318 13.5164 14.9922 15.2431 15.3442 15.4679 16.9611 17.0335 17.4661 17.5200 17.7361 17.9841 k = 0.2355 0.7489 0.6006 ( 2296 PWs) bands (ev): -52.9039 -52.9039 -52.8991 -52.8991 -25.8215 -25.8186 -25.8022 -25.7989 -17.2840 -17.2687 -17.1826 -17.1763 -17.1322 -17.1059 -17.0110 -16.9958 3.5029 3.5794 3.6879 3.7293 7.8753 7.9606 9.2134 9.2165 11.3266 11.4807 11.8237 11.8340 12.7608 12.8082 12.8168 12.9218 13.4324 13.5210 14.9966 15.2519 15.3365 15.4472 16.9436 17.0155 17.4770 17.5361 17.7389 17.9795 k = 0.2174 0.7455 0.6044 ( 2295 PWs) bands (ev): -52.9039 -52.9039 -52.8990 -52.8990 -25.8216 -25.8188 -25.8021 -25.7988 -17.2842 -17.2692 -17.1828 -17.1767 -17.1320 -17.1065 -17.0103 -16.9956 3.4991 3.5693 3.7046 3.7420 7.8775 7.9611 9.2011 9.2027 11.3189 11.4700 11.8201 11.8306 12.7654 12.8176 12.8227 12.9310 13.4358 13.5283 15.0012 15.2622 15.3289 15.4231 16.9211 16.9919 17.4885 17.5503 17.7411 17.9714 k = 0.1993 0.7420 0.6081 ( 2293 PWs) bands (ev): -52.9039 -52.9039 -52.8990 -52.8990 -25.8217 -25.8191 -25.8019 -25.7987 -17.2843 -17.2698 -17.1829 -17.1770 -17.1317 -17.1072 -17.0096 -16.9955 3.4949 3.5585 3.7212 3.7543 7.8824 7.9636 9.1860 9.1861 11.3145 11.4603 11.8170 11.8274 12.7671 12.8165 12.8389 12.9388 13.4427 13.5385 15.0053 15.2724 15.3227 15.3974 16.8945 16.9637 17.5000 17.5625 17.7431 17.9604 k = 0.1812 0.7385 0.6119 ( 2291 PWs) bands (ev): -52.9039 -52.9039 -52.8989 -52.8989 -25.8218 -25.8193 -25.8016 -25.7987 -17.2843 -17.2705 -17.1829 -17.1773 -17.1313 -17.1081 -17.0087 -16.9954 3.4908 3.5479 3.7370 3.7661 7.8897 7.9677 9.1669 9.1689 11.3133 11.4518 11.8142 11.8244 12.7674 12.8140 12.8548 12.9448 13.4531 13.5514 15.0076 15.2787 15.3192 15.3741 16.8644 16.9315 17.5111 17.5721 17.7456 17.9474 k = 0.1630 0.7350 0.6157 ( 2296 PWs) bands (ev): -52.9040 -52.9040 -52.8989 -52.8989 -25.8220 -25.8197 -25.8014 -25.7987 -17.2842 -17.2713 -17.1829 -17.1778 -17.1308 -17.1092 -17.0078 -16.9955 3.4869 3.5378 3.7517 3.7770 7.8990 7.9731 9.1461 9.1500 11.3150 11.4443 11.8118 11.8215 12.7670 12.8104 12.8692 12.9487 13.4673 13.5666 15.0073 15.2727 15.3196 15.3617 16.8320 16.8965 17.5214 17.5791 17.7489 17.9331 k = 0.1449 0.7316 0.6194 ( 2294 PWs) bands (ev): -52.9040 -52.9040 -52.8988 -52.8988 -25.8220 -25.8200 -25.8011 -25.7987 -17.2840 -17.2721 -17.1829 -17.1781 -17.1301 -17.1103 -17.0068 -16.9955 3.4834 3.5282 3.7651 3.7869 7.9100 7.9794 9.1244 9.1299 11.3192 11.4378 11.8097 11.8188 12.7663 12.8061 12.8816 12.9505 13.4850 13.5832 15.0042 15.2501 15.3246 15.3649 16.7985 16.8597 17.5307 17.5835 17.7533 17.9183 k = 0.1268 0.7281 0.6232 ( 2288 PWs) bands (ev): -52.9040 -52.9040 -52.8988 -52.8988 -25.8221 -25.8202 -25.8008 -25.7986 -17.2837 -17.2730 -17.1827 -17.1784 -17.1292 -17.1115 -17.0058 -16.9957 3.4804 3.5193 3.7771 3.7957 7.9224 7.9861 9.1025 9.1093 11.3255 11.4319 11.8080 11.8163 12.7657 12.8013 12.8918 12.9506 13.5058 13.6005 14.9985 15.2175 15.3342 15.3769 16.7651 16.8223 17.5389 17.5854 17.7591 17.9035 k = 0.1087 0.7246 0.6270 ( 2288 PWs) bands (ev): -52.9040 -52.9040 -52.8988 -52.8988 -25.8221 -25.8205 -25.8005 -25.7987 -17.2833 -17.2739 -17.1826 -17.1788 -17.1283 -17.1128 -17.0047 -16.9959 3.4781 3.5112 3.7877 3.8033 7.9355 7.9926 9.0813 9.0889 11.3333 11.4265 11.8067 11.8140 12.7651 12.7962 12.9000 12.9492 13.5287 13.6173 14.9913 15.1812 15.3476 15.3917 16.7331 16.7854 17.5458 17.5853 17.7659 17.8890 k = 0.0906 0.7211 0.6307 ( 2289 PWs) bands (ev): -52.9040 -52.9040 -52.8987 -52.8987 -25.8222 -25.8208 -25.8003 -25.7987 -17.2828 -17.2748 -17.1824 -17.1792 -17.1273 -17.1142 -17.0037 -16.9963 3.4765 3.5039 3.7969 3.8096 7.9489 7.9985 9.0617 9.0696 11.3422 11.4213 11.8057 11.8120 12.7648 12.7911 12.9065 12.9466 13.5527 13.6325 14.9842 15.1442 15.3635 15.4064 16.7039 16.7502 17.5516 17.5839 17.7735 17.8753 k = 0.0725 0.7177 0.6345 ( 2296 PWs) bands (ev): -52.9040 -52.9040 -52.8988 -52.8988 -25.8223 -25.8212 -25.8000 -25.7988 -17.2824 -17.2758 -17.1822 -17.1796 -17.1263 -17.1156 -17.0028 -16.9967 3.4755 3.4974 3.8046 3.8146 7.9621 8.0032 9.0446 9.0520 11.3517 11.4159 11.8050 11.8102 12.7648 12.7862 12.9118 12.9432 13.5768 13.6449 14.9788 15.1082 15.3806 15.4192 16.6788 16.7180 17.5563 17.5815 17.7818 17.8624 k = 0.0543 0.7142 0.6383 ( 2294 PWs) bands (ev): -52.9041 -52.9041 -52.8987 -52.8987 -25.8222 -25.8214 -25.7998 -25.7988 -17.2817 -17.2768 -17.1819 -17.1800 -17.1251 -17.1171 -17.0018 -16.9972 3.4754 3.4917 3.8109 3.8183 7.9744 8.0061 9.0308 9.0371 11.3615 11.4101 11.8047 11.8086 12.7653 12.7815 12.9162 12.9395 13.5997 13.6534 14.9766 15.0748 15.3973 15.4289 16.6591 16.6899 17.5603 17.5787 17.7905 17.8503 k = 0.0362 0.7107 0.6420 ( 2292 PWs) bands (ev): -52.9041 -52.9041 -52.8987 -52.8987 -25.8222 -25.8216 -25.7995 -25.7989 -17.2810 -17.2777 -17.1816 -17.1803 -17.1239 -17.1185 -17.0008 -16.9977 3.4760 3.4869 3.8157 3.8206 7.9853 8.0069 9.0208 9.0254 11.3711 11.4038 11.8047 11.8073 12.7664 12.7773 12.9202 12.9355 13.6200 13.6572 14.9790 15.0451 15.4123 15.4347 16.6460 16.6672 17.5637 17.5757 17.7995 17.8391 k = 0.0181 0.7072 0.6458 ( 2292 PWs) bands (ev): -52.9041 -52.9041 -52.8987 -52.8987 -25.8221 -25.8218 -25.7993 -25.7990 -17.2803 -17.2786 -17.1813 -17.1807 -17.1226 -17.1199 -16.9999 -16.9984 3.4775 3.4829 3.8190 3.8215 7.9943 8.0052 9.0152 9.0176 11.3803 11.3967 11.8049 11.8063 12.7682 12.7736 12.9239 12.9316 13.6367 13.6558 14.9868 15.0201 15.4243 15.4359 16.6400 16.6509 17.5668 17.5727 17.8088 17.8285 k = 0.0000 0.7038 0.6495 ( 2290 PWs) bands (ev): -52.9040 -52.9040 -52.8987 -52.8987 -25.8220 -25.8220 -25.7991 -25.7991 -17.2794 -17.2794 -17.1810 -17.1810 -17.1213 -17.1213 -16.9991 -16.9991 3.4798 3.4798 3.8210 3.8210 8.0010 8.0010 9.0141 9.0141 11.3889 11.3889 11.8055 11.8055 12.7706 12.7706 12.9277 12.9277 13.6488 13.6488 15.0005 15.0005 15.4324 15.4324 16.6417 16.6417 17.5698 17.5698 17.8184 17.8184 k = 0.0000 0.7038 0.6495 ( 2290 PWs) bands (ev): -52.9040 -52.9040 -52.8987 -52.8987 -25.8220 -25.8220 -25.7991 -25.7991 -17.2794 -17.2794 -17.1810 -17.1810 -17.1213 -17.1213 -16.9991 -16.9991 3.4798 3.4798 3.8210 3.8210 8.0010 8.0010 9.0141 9.0141 11.3889 11.3889 11.8055 11.8055 12.7706 12.7706 12.9277 12.9277 13.6488 13.6488 15.0005 15.0005 15.4324 15.4324 16.6417 16.6417 17.5698 17.5698 17.8184 17.8184 k = 0.0054 0.6907 0.6637 ( 2292 PWs) bands (ev): -52.9040 -52.9040 -52.8987 -52.8987 -25.8220 -25.8219 -25.7992 -25.7992 -17.2799 -17.2789 -17.1814 -17.1807 -17.1217 -17.1209 -16.9997 -16.9988 3.4783 3.4822 3.8200 3.8228 8.0001 8.0049 9.0094 9.0208 11.3756 11.3944 11.7992 11.8133 12.7643 12.7721 12.9178 12.9335 13.6449 13.6557 14.9511 15.0268 15.4183 15.4755 16.6177 16.6592 17.5597 17.5908 17.8117 17.8284 k = 0.0109 0.6777 0.6778 ( 2292 PWs) bands (ev): -52.9040 -52.9040 -52.8987 -52.8987 -25.8222 -25.8218 -25.7993 -25.7992 -17.2804 -17.2785 -17.1819 -17.1805 -17.1223 -17.1208 -17.0005 -16.9986 3.4779 3.4855 3.8198 3.8255 8.0021 8.0118 9.0067 9.0293 11.3556 11.3918 11.7951 11.8218 12.7537 12.7690 12.9039 12.9352 13.6439 13.6652 14.8900 15.0227 15.4403 15.5364 16.5892 16.6693 17.5618 17.6207 17.8082 17.8419 k = 0.0163 0.6647 0.6919 ( 2290 PWs) bands (ev): -52.9040 -52.9040 -52.8987 -52.8987 -25.8223 -25.8218 -25.7995 -25.7993 -17.2809 -17.2779 -17.1824 -17.1803 -17.1230 -17.1207 -17.0015 -16.9987 3.4784 3.4898 3.8205 3.8290 8.0070 8.0215 9.0059 9.0397 11.3300 11.3812 11.7931 11.8296 12.7390 12.7612 12.8863 12.9328 13.6457 13.6773 14.8248 14.9945 15.4915 15.6069 16.5589 16.6724 17.5759 17.6561 17.8086 17.8595 k = 0.0217 0.6516 0.7060 ( 2294 PWs) bands (ev): -52.9040 -52.9040 -52.8986 -52.8986 -25.8225 -25.8218 -25.7998 -25.7996 -17.2814 -17.2774 -17.1831 -17.1803 -17.1238 -17.1208 -17.0028 -16.9990 3.4799 3.4950 3.8220 3.8332 8.0149 8.0341 9.0071 9.0518 11.2998 11.3634 11.7927 11.8356 12.7207 12.7490 12.8649 12.9262 13.6500 13.6914 14.7595 14.9538 15.5592 15.6822 16.5299 16.6703 17.5999 17.6930 17.8141 17.8825 k = 0.0272 0.6386 0.7201 ( 2292 PWs) bands (ev): -52.9039 -52.9039 -52.8986 -52.8986 -25.8227 -25.8219 -25.8000 -25.7998 -17.2818 -17.2769 -17.1838 -17.1804 -17.1247 -17.1209 -17.0043 -16.9995 3.4824 3.5011 3.8243 3.8383 8.0258 8.0495 9.0102 9.0656 11.2661 11.3394 11.7928 11.8388 12.6994 12.7328 12.8401 12.9155 13.6567 13.7071 14.6963 14.9084 15.6337 15.7588 16.5056 16.6660 17.6308 17.7271 17.8271 17.9122 k = 0.0326 0.6256 0.7343 ( 2288 PWs) bands (ev): -52.9038 -52.9038 -52.8985 -52.8985 -25.8229 -25.8219 -25.8003 -25.8001 -17.2823 -17.2763 -17.1846 -17.1806 -17.1256 -17.1212 -17.0059 -17.0002 3.4858 3.5080 3.8274 3.8441 8.0396 8.0677 9.0152 9.0808 11.2297 11.3105 11.7924 11.8383 12.6755 12.7132 12.8119 12.9009 13.6654 13.7241 14.6363 14.8624 15.7089 15.8334 16.4898 16.6630 17.6639 17.7551 17.8502 17.9495 k = 0.0380 0.6125 0.7484 ( 2286 PWs) bands (ev): -52.9037 -52.9037 -52.8985 -52.8985 -25.8231 -25.8220 -25.8007 -25.8004 -17.2827 -17.2757 -17.1855 -17.1809 -17.1267 -17.1215 -17.0078 -17.0011 3.4902 3.5157 3.8313 3.8506 8.0563 8.0885 9.0219 9.0974 11.1912 11.2779 11.7904 11.8336 12.6496 12.6905 12.7804 12.8824 13.6760 13.7420 14.5802 14.8174 15.7799 15.9029 16.4867 16.6654 17.6944 17.7782 17.8835 17.9941 k = 0.0435 0.5995 0.7625 ( 2286 PWs) bands (ev): -52.9036 -52.9036 -52.8984 -52.8984 -25.8234 -25.8221 -25.8012 -25.8008 -17.2832 -17.2752 -17.1865 -17.1815 -17.1277 -17.1219 -17.0098 -17.0022 3.4955 3.5242 3.8360 3.8578 8.0759 8.1120 9.0303 9.1151 11.1514 11.2427 11.7861 11.8243 12.6220 12.6655 12.7459 12.8605 13.6883 13.7605 14.5280 14.7740 15.8425 15.9643 16.5006 16.6770 17.7186 17.8000 17.9254 18.0440 k = 0.0489 0.5865 0.7766 ( 2284 PWs) bands (ev): -52.9035 -52.9035 -52.8983 -52.8983 -25.8237 -25.8222 -25.8017 -25.8013 -17.2838 -17.2747 -17.1876 -17.1822 -17.1287 -17.1222 -17.0121 -17.0035 3.5017 3.5335 3.8414 3.8657 8.0983 8.1380 9.0403 9.1336 11.1107 11.2057 11.7788 11.8101 12.5929 12.6384 12.7086 12.8354 13.7023 13.7795 14.4796 14.7324 15.8936 16.0159 16.5338 16.7013 17.7361 17.8220 17.9734 18.0971 k = 0.0543 0.5734 0.7908 ( 2286 PWs) bands (ev): -52.9034 -52.9034 -52.8983 -52.8983 -25.8240 -25.8224 -25.8023 -25.8018 -17.2843 -17.2741 -17.1889 -17.1832 -17.1298 -17.1227 -17.0145 -17.0050 3.5088 3.5434 3.8475 3.8741 8.1234 8.1664 9.0516 9.1529 11.0695 11.1677 11.7680 11.7913 12.5624 12.6097 12.6688 12.8076 13.7180 13.7988 14.4347 14.6922 15.9322 16.0579 16.5860 16.7404 17.7492 17.8437 18.0248 18.1513 k = 0.0598 0.5604 0.8049 ( 2288 PWs) bands (ev): -52.9033 -52.9033 -52.8982 -52.8982 -25.8244 -25.8226 -25.8029 -25.8024 -17.2849 -17.2736 -17.1902 -17.1844 -17.1308 -17.1232 -17.0171 -17.0066 3.5168 3.5540 3.8542 3.8830 8.1512 8.1971 9.0642 9.1726 11.0282 11.1294 11.7532 11.7683 12.5304 12.5797 12.6270 12.7776 13.7353 13.8184 14.3928 14.6531 15.9604 16.0917 16.6540 16.7945 17.7597 17.8647 18.0763 18.2053 k = 0.0652 0.5474 0.8190 ( 2292 PWs) bands (ev): -52.9032 -52.9032 -52.8982 -52.8982 -25.8249 -25.8229 -25.8036 -25.8030 -17.2855 -17.2731 -17.1918 -17.1858 -17.1318 -17.1237 -17.0198 -17.0083 3.5256 3.5651 3.8616 3.8925 8.1816 8.2301 9.0780 9.1925 10.9870 11.0913 11.7324 11.7434 12.4970 12.5485 12.5838 12.7459 13.7543 13.8383 14.3533 14.6147 15.9822 16.1195 16.7334 16.8619 17.7690 17.8850 18.1252 18.2572 k = 0.0707 0.5343 0.8331 ( 2290 PWs) bands (ev): -52.9030 -52.9030 -52.8981 -52.8981 -25.8252 -25.8232 -25.8042 -25.8036 -17.2861 -17.2726 -17.1934 -17.1874 -17.1327 -17.1241 -17.0226 -17.0102 3.5351 3.5769 3.8695 3.9023 8.2145 8.2652 9.0927 9.2124 10.9461 11.0538 11.7031 11.7198 12.4619 12.5156 12.5404 12.7132 13.7748 13.8586 14.3159 14.5768 16.0015 16.1438 16.8202 16.9400 17.7777 17.9049 18.1696 18.3041 k = 0.0761 0.5213 0.8472 ( 2290 PWs) bands (ev): -52.9028 -52.9028 -52.8980 -52.8980 -25.8256 -25.8235 -25.8050 -25.8043 -17.2868 -17.2721 -17.1952 -17.1894 -17.1334 -17.1244 -17.0256 -17.0122 3.5454 3.5891 3.8779 3.9125 8.2499 8.3022 9.1082 9.2319 10.9057 11.0173 11.6679 11.6952 12.4252 12.4790 12.4998 12.6796 13.7967 13.8793 14.2799 14.5392 16.0214 16.1670 16.9111 17.0256 17.7859 17.9246 18.2089 18.3418 k = 0.0815 0.5083 0.8614 ( 2290 PWs) bands (ev): -52.9027 -52.9027 -52.8979 -52.8979 -25.8261 -25.8238 -25.8057 -25.8050 -17.2876 -17.2716 -17.1971 -17.1915 -17.1341 -17.1247 -17.0286 -17.0143 3.5565 3.6018 3.8867 3.9230 8.2875 8.3411 9.1244 9.2509 10.8658 10.9821 11.6291 11.6682 12.3870 12.4369 12.4642 12.6457 13.8200 13.9002 14.2451 14.5019 16.0440 16.1910 17.0037 17.1164 17.7938 17.9442 18.2431 18.3692 k = 0.0870 0.4952 0.8755 ( 2288 PWs) bands (ev): -52.9025 -52.9025 -52.8978 -52.8978 -25.8265 -25.8241 -25.8065 -25.8057 -17.2884 -17.2712 -17.1992 -17.1939 -17.1346 -17.1248 -17.0317 -17.0164 3.5682 3.6149 3.8960 3.9336 8.3273 8.3816 9.1410 9.2692 10.8265 10.9483 11.5873 11.6388 12.3478 12.3922 12.4315 12.6115 13.8442 13.9214 14.2112 14.4653 16.0702 16.2175 17.0960 17.2101 17.8013 17.9638 18.2726 18.3890 k = 0.0924 0.4822 0.8896 ( 2288 PWs) bands (ev): -52.9023 -52.9023 -52.8977 -52.8977 -25.8270 -25.8244 -25.8073 -25.8065 -17.2892 -17.2708 -17.2014 -17.1965 -17.1349 -17.1249 -17.0350 -17.0187 3.5805 3.6284 3.9055 3.9444 8.3692 8.4236 9.1580 9.2865 10.7878 10.9161 11.5432 11.6071 12.3080 12.3474 12.3998 12.5773 13.8690 13.9426 14.1783 14.4298 16.1008 16.2473 17.1861 17.3050 17.8084 17.9834 18.2972 18.4040 k = 0.0978 0.4692 0.9037 ( 2292 PWs) bands (ev): -52.9021 -52.9021 -52.8977 -52.8977 -25.8275 -25.8248 -25.8082 -25.8073 -17.2902 -17.2704 -17.2038 -17.1994 -17.1352 -17.1249 -17.0382 -17.0210 3.5934 3.6422 3.9153 3.9552 8.4129 8.4670 9.1752 9.3027 10.7497 10.8854 11.4971 11.5732 12.2684 12.3035 12.3685 12.5431 13.8939 13.9636 14.1465 14.3959 16.1358 16.2810 17.2726 17.3995 17.8149 18.0030 18.3153 18.4167 k = 0.1033 0.4561 0.9178 ( 2290 PWs) bands (ev): -52.9019 -52.9019 -52.8976 -52.8976 -25.8279 -25.8252 -25.8091 -25.8081 -17.2911 -17.2701 -17.2064 -17.2023 -17.1354 -17.1247 -17.0415 -17.0233 3.6068 3.6562 3.9252 3.9660 8.4584 8.5116 9.1924 9.3178 10.7121 10.8562 11.4495 11.5374 12.2294 12.2616 12.3375 12.5090 13.9181 13.9836 14.1166 14.3645 16.1754 16.3191 17.3542 17.4922 17.8207 18.0223 18.3243 18.4308 k = 0.1087 0.4431 0.9320 ( 2290 PWs) bands (ev): -52.9017 -52.9017 -52.8975 -52.8975 -25.8283 -25.8255 -25.8100 -25.8090 -17.2922 -17.2698 -17.2091 -17.2053 -17.1354 -17.1244 -17.0448 -17.0257 3.6208 3.6706 3.9352 3.9767 8.5054 8.5571 9.2097 9.3318 10.6749 10.8281 11.4005 11.4997 12.1917 12.2222 12.3066 12.4753 13.9405 14.0011 14.0905 14.3365 16.2193 16.3616 17.4300 17.5814 17.8256 18.0412 18.3230 18.4501 k = 0.1141 0.4301 0.9461 ( 2292 PWs) bands (ev): -52.9015 -52.9015 -52.8974 -52.8974 -25.8288 -25.8259 -25.8109 -25.8099 -17.2933 -17.2696 -17.2120 -17.2084 -17.1354 -17.1240 -17.0482 -17.0281 3.6352 3.6851 3.9452 3.9871 8.5538 8.6034 9.2270 9.3448 10.6382 10.8010 11.3504 11.4601 12.1556 12.1859 12.2761 12.4420 13.9591 14.0111 14.0740 14.3132 16.2673 16.4085 17.4992 17.6651 17.8301 18.0592 18.3151 18.4620 k = 0.1196 0.4170 0.9602 ( 2288 PWs) bands (ev): -52.9013 -52.9013 -52.8973 -52.8973 -25.8292 -25.8262 -25.8119 -25.8107 -17.2945 -17.2694 -17.2151 -17.2114 -17.1352 -17.1235 -17.0515 -17.0305 3.6500 3.6998 3.9551 3.9973 8.6034 8.6503 9.2443 9.3567 10.6018 10.7744 11.2994 11.4188 12.1217 12.1532 12.2461 12.4094 13.9702 14.0072 14.0761 14.2957 16.3191 16.4596 17.5612 17.7400 17.8356 18.0762 18.3053 18.4488 k = 0.1250 0.4040 0.9743 ( 2298 PWs) bands (ev): -52.9011 -52.9011 -52.8972 -52.8972 -25.8297 -25.8267 -25.8129 -25.8117 -17.2959 -17.2693 -17.2184 -17.2144 -17.1350 -17.1230 -17.0548 -17.0329 3.6651 3.7146 3.9649 4.0071 8.6539 8.6976 9.2615 9.3679 10.5657 10.7479 11.2475 11.3756 12.0901 12.1245 12.2167 12.3779 13.9661 14.0014 14.0916 14.2849 16.3745 16.5147 17.6158 17.7948 17.8515 18.0916 18.2972 18.4351 k = 0.1304 0.3910 0.9884 ( 2300 PWs) bands (ev): -52.9009 -52.9009 -52.8971 -52.8971 -25.8301 -25.8270 -25.8140 -25.8127 -17.2972 -17.2693 -17.2219 -17.2174 -17.1346 -17.1223 -17.0581 -17.0353 3.6806 3.7296 3.9745 4.0164 8.7051 8.7450 9.2787 9.3786 10.5298 10.7213 11.1949 11.3305 12.0613 12.0999 12.1882 12.3476 13.9493 13.9998 14.1116 14.2812 16.4331 16.5736 17.6633 17.8126 17.8933 18.1054 18.2937 18.4237 k = 0.1359 0.3779 1.0026 ( 2304 PWs) bands (ev): -52.9007 -52.9007 -52.8970 -52.8970 -25.8306 -25.8274 -25.8150 -25.8136 -17.2986 -17.2693 -17.2255 -17.2203 -17.1342 -17.1216 -17.0613 -17.0376 3.6963 3.7445 3.9837 4.0252 8.7568 8.7925 9.2960 9.3890 10.4942 10.6943 11.1417 11.2835 12.0352 12.0795 12.1608 12.3191 13.9297 13.9963 14.1329 14.2838 16.4949 16.6362 17.7041 17.8143 17.9389 18.1172 18.2964 18.4159 k = 0.1413 0.3649 1.0167 ( 2306 PWs) bands (ev): -52.9004 -52.9004 -52.8970 -52.8970 -25.8310 -25.8278 -25.8160 -25.8146 -17.3001 -17.2694 -17.2291 -17.2231 -17.1337 -17.1208 -17.0645 -17.0399 3.7123 3.7595 3.9925 4.0334 8.8087 8.8398 9.3134 9.3994 10.4587 10.6665 11.0878 11.2347 12.0120 12.0629 12.1349 12.2926 13.9110 13.9899 14.1540 14.2913 16.5595 16.7020 17.7389 17.8126 17.9764 18.1268 18.3056 18.4125 k = 0.1467 0.3519 1.0308 ( 2308 PWs) bands (ev): -52.9002 -52.9002 -52.8969 -52.8969 -25.8314 -25.8281 -25.8170 -25.8155 -17.3016 -17.2695 -17.2328 -17.2258 -17.1332 -17.1199 -17.0676 -17.0421 3.7284 3.7745 4.0008 4.0409 8.8604 8.8868 9.3311 9.4102 10.4235 10.6378 11.0334 11.1841 11.9917 12.0498 12.1106 12.2686 13.8944 13.9818 14.1740 14.3020 16.6267 16.7709 17.7684 17.8106 18.0050 18.1344 18.3202 18.4135 k = 0.1522 0.3388 1.0449 ( 2306 PWs) bands (ev): -52.9000 -52.9000 -52.8968 -52.8968 -25.8317 -25.8284 -25.8179 -25.8163 -17.3032 -17.2696 -17.2363 -17.2284 -17.1325 -17.1190 -17.0706 -17.0443 3.7447 3.7895 4.0087 4.0476 8.9114 8.9336 9.3491 9.4217 10.3884 10.6081 10.9785 11.1318 11.9742 12.0398 12.0883 12.2473 13.8805 13.9733 14.1922 14.3144 16.6965 16.8426 17.7914 17.8120 18.0266 18.1407 18.3375 18.4185 k = 0.1576 0.3258 1.0590 ( 2302 PWs) bands (ev): -52.8998 -52.8998 -52.8967 -52.8967 -25.8321 -25.8287 -25.8188 -25.8171 -17.3047 -17.2697 -17.2399 -17.2310 -17.1318 -17.1180 -17.0735 -17.0463 3.7611 3.8044 4.0159 4.0536 8.9612 8.9805 9.3677 9.4341 10.3536 10.5774 10.9233 11.0780 11.9593 12.0321 12.0684 12.2288 13.8696 13.9653 14.2082 14.3271 16.7685 16.9169 17.8014 17.8258 18.0432 18.1468 18.3547 18.4271 k = 0.1630 0.3128 1.0732 ( 2306 PWs) bands (ev): -52.8995 -52.8995 -52.8967 -52.8967 -25.8324 -25.8291 -25.8198 -25.8181 -17.3063 -17.2700 -17.2434 -17.2336 -17.1310 -17.1171 -17.0763 -17.0483 3.7775 3.8192 4.0224 4.0587 9.0088 9.0278 9.3867 9.4477 10.3192 10.5458 10.8679 11.0228 11.9468 12.0252 12.0518 12.2134 13.8619 13.9587 14.2216 14.3391 16.8427 16.9935 17.8058 17.8466 18.0566 18.1534 18.3704 18.4384 k = 0.1685 0.2997 1.0873 ( 2306 PWs) bands (ev): -52.8993 -52.8993 -52.8966 -52.8966 -25.8327 -25.8293 -25.8207 -25.8189 -17.3079 -17.2703 -17.2468 -17.2360 -17.1302 -17.1161 -17.0790 -17.0502 3.7939 3.8338 4.0282 4.0629 9.0538 9.0757 9.4065 9.4626 10.2851 10.5133 10.8125 10.9664 11.9366 12.0170 12.0406 12.2009 13.8575 13.9538 14.2322 14.3496 16.9190 17.0722 17.8124 17.8686 18.0681 18.1611 18.3842 18.4509 k = 0.1739 0.2867 1.1014 ( 2302 PWs) bands (ev): -52.8991 -52.8991 -52.8966 -52.8966 -25.8329 -25.8295 -25.8216 -25.8197 -17.3095 -17.2706 -17.2500 -17.2383 -17.1293 -17.1151 -17.0817 -17.0520 3.8103 3.8482 4.0333 4.0662 9.0964 9.1236 9.4269 9.4790 10.2517 10.4801 10.7573 10.9091 11.9286 12.0062 12.0353 12.1910 13.8564 13.9509 14.2398 14.3580 16.9973 17.1528 17.8229 17.8915 18.0783 18.1705 18.3967 18.4635 k = 0.1793 0.2737 1.1155 ( 2302 PWs) bands (ev): -52.8989 -52.8989 -52.8965 -52.8965 -25.8330 -25.8297 -25.8226 -25.8206 -17.3110 -17.2709 -17.2531 -17.2405 -17.1283 -17.1140 -17.0842 -17.0538 3.8266 3.8625 4.0375 4.0685 9.1370 9.1710 9.4480 9.4969 10.2190 10.4463 10.7026 10.8511 11.9226 11.9948 12.0337 12.1835 13.8587 13.9501 14.2444 14.3639 17.0775 17.2348 17.8381 17.9155 18.0876 18.1817 18.4084 18.4752 k = 0.1848 0.2606 1.1296 ( 2300 PWs) bands (ev): -52.8987 -52.8987 -52.8965 -52.8965 -25.8332 -25.8298 -25.8234 -25.8214 -17.3125 -17.2713 -17.2560 -17.2425 -17.1274 -17.1131 -17.0867 -17.0554 3.8427 3.8764 4.0409 4.0699 9.1760 9.2175 9.4697 9.5162 10.1872 10.4120 10.6488 10.7927 11.9187 11.9844 12.0340 12.1780 13.8641 13.9515 14.2460 14.3668 17.1594 17.3182 17.8582 17.9407 18.0963 18.1950 18.4198 18.4854 k = 0.1902 0.2476 1.1438 ( 2296 PWs) bands (ev): -52.8985 -52.8985 -52.8965 -52.8965 -25.8333 -25.8300 -25.8243 -25.8221 -17.3140 -17.2716 -17.2587 -17.2444 -17.1263 -17.1121 -17.0890 -17.0570 3.8587 3.8901 4.0434 4.0702 9.2134 9.2627 9.4918 9.5367 10.1566 10.3774 10.5963 10.7342 11.9166 11.9753 12.0351 12.1739 13.8727 13.9549 14.2447 14.3666 17.2431 17.4023 17.8832 17.9665 18.1046 18.2106 18.4315 18.4939 k = 0.1957 0.2346 1.1579 ( 2298 PWs) bands (ev): -52.8983 -52.8983 -52.8965 -52.8965 -25.8334 -25.8301 -25.8251 -25.8228 -17.3154 -17.2720 -17.2613 -17.2462 -17.1253 -17.1112 -17.0912 -17.0584 3.8744 3.9035 4.0450 4.0695 9.2495 9.3065 9.5140 9.5583 10.1275 10.3427 10.5456 10.6759 11.9162 11.9678 12.0368 12.1710 13.8842 13.9602 14.2406 14.3632 17.3282 17.4869 17.9127 17.9922 18.1127 18.2286 18.4437 18.5004 k = 0.2011 0.2215 1.1720 ( 2300 PWs) bands (ev): -52.8981 -52.8981 -52.8965 -52.8965 -25.8335 -25.8303 -25.8258 -25.8235 -17.3167 -17.2724 -17.2637 -17.2479 -17.1242 -17.1103 -17.0934 -17.0597 3.8898 3.9165 4.0457 4.0678 9.2843 9.3489 9.5357 9.5804 10.1004 10.3081 10.4970 10.6183 11.9174 11.9618 12.0386 12.1687 13.8982 13.9672 14.2340 14.3567 17.4148 17.5713 17.9461 18.0166 18.1207 18.2488 18.4567 18.5047 k = 0.2065 0.2085 1.1861 ( 2298 PWs) bands (ev): -52.8980 -52.8980 -52.8965 -52.8965 -25.8335 -25.8303 -25.8266 -25.8242 -17.3179 -17.2728 -17.2659 -17.2494 -17.1231 -17.1095 -17.0954 -17.0609 3.9049 3.9291 4.0455 4.0651 9.3180 9.3896 9.5564 9.6028 10.0758 10.2739 10.4512 10.5617 11.9200 11.9572 12.0404 12.1669 13.9145 13.9758 14.2252 14.3473 17.5024 17.6548 17.9821 18.0389 18.1290 18.2704 18.4702 18.5072 k = 0.2120 0.1955 1.2002 ( 2302 PWs) bands (ev): -52.8978 -52.8978 -52.8965 -52.8965 -25.8335 -25.8304 -25.8273 -25.8248 -17.3190 -17.2731 -17.2679 -17.2508 -17.1220 -17.1087 -17.0974 -17.0621 3.9196 3.9412 4.0443 4.0614 9.3507 9.4286 9.5751 9.6247 10.0543 10.2406 10.4086 10.5066 11.9236 11.9538 12.0420 12.1653 13.9327 13.9856 14.2146 14.3353 17.5905 17.7363 18.0187 18.0585 18.1380 18.2921 18.4813 18.5101 k = 0.2174 0.1824 1.2144 ( 2300 PWs) bands (ev): -52.8976 -52.8976 -52.8965 -52.8965 -25.8335 -25.8304 -25.8279 -25.8253 -17.3200 -17.2734 -17.2695 -17.2519 -17.1209 -17.1080 -17.0992 -17.0630 3.9339 3.9529 4.0422 4.0567 9.3822 9.4656 9.5908 9.6454 10.0367 10.2089 10.3699 10.4535 11.9279 11.9514 12.0434 12.1639 13.9524 13.9963 14.2025 14.3211 17.6787 17.8146 18.0521 18.0766 18.1489 18.3121 18.4825 18.5190 k = 0.2228 0.1694 1.2285 ( 2308 PWs) bands (ev): -52.8975 -52.8975 -52.8966 -52.8966 -25.8335 -25.8304 -25.8286 -25.8259 -17.3209 -17.2737 -17.2711 -17.2530 -17.1198 -17.1074 -17.1009 -17.0639 3.9477 3.9640 4.0392 4.0511 9.4124 9.5004 9.6027 9.6641 10.0236 10.1798 10.3355 10.4033 11.9327 11.9498 12.0444 12.1625 13.9729 14.0076 14.1894 14.3053 17.7659 17.8878 18.0751 18.0969 18.1634 18.3289 18.4723 18.5317 k = 0.2283 0.1564 1.2426 ( 2306 PWs) bands (ev): -52.8974 -52.8974 -52.8966 -52.8966 -25.8334 -25.8304 -25.8291 -25.8263 -17.3216 -17.2739 -17.2723 -17.2538 -17.1187 -17.1069 -17.1025 -17.0646 3.9610 3.9745 4.0353 4.0447 9.4409 9.5323 9.6097 9.6797 10.0154 10.1546 10.3060 10.3567 11.9374 11.9489 12.0451 12.1612 13.9935 14.0190 14.1758 14.2890 17.8508 17.9536 18.0874 18.1167 18.1828 18.3419 18.4536 18.5419 k = 0.2337 0.1434 1.2567 ( 2300 PWs) bands (ev): -52.8972 -52.8972 -52.8967 -52.8967 -25.8332 -25.8303 -25.8295 -25.8266 -17.3221 -17.2741 -17.2731 -17.2544 -17.1177 -17.1064 -17.1038 -17.0651 3.9737 3.9844 4.0305 4.0374 9.4669 9.5604 9.6118 9.6914 10.0116 10.1351 10.2821 10.3153 11.9416 11.9484 12.0455 12.1602 14.0133 14.0298 14.1624 14.2732 17.9311 18.0087 18.0948 18.1314 18.2043 18.3512 18.4279 18.5467 k = 0.2391 0.1303 1.2709 ( 2300 PWs) bands (ev): -52.8971 -52.8971 -52.8967 -52.8967 -25.8331 -25.8302 -25.8298 -25.8269 -17.3225 -17.2742 -17.2738 -17.2548 -17.1168 -17.1061 -17.1049 -17.0655 3.9857 3.9934 4.0246 4.0298 9.4891 9.5831 9.6097 9.6989 10.0108 10.1224 10.2642 10.2813 11.9450 11.9481 12.0457 12.1593 14.0306 14.0392 14.1502 14.2595 18.0031 18.0495 18.0993 18.1426 18.2219 18.3573 18.3982 18.5468 k = 0.2446 0.1173 1.2850 ( 2298 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8330 -25.8301 -25.8300 -25.8271 -17.3227 -17.2743 -17.2742 -17.2551 -17.1162 -17.1059 -17.1056 -17.0657 3.9969 4.0011 4.0172 4.0228 9.5050 9.5984 9.6059 9.7024 10.0111 10.1165 10.2532 10.2580 11.9472 11.9480 12.0458 12.1588 14.0433 14.0457 14.1410 14.2500 18.0587 18.0737 18.1015 18.1507 18.2308 18.3607 18.3723 18.5448 k = 0.2500 0.1043 1.2991 ( 2296 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8301 -25.8301 -25.8271 -17.3228 -17.2743 -17.2743 -17.2552 -17.1160 -17.1059 -17.1059 -17.0658 4.0050 4.0050 4.0103 4.0192 9.5110 9.6038 9.6038 9.7034 10.0113 10.1150 10.2495 10.2495 11.9480 11.9480 12.0458 12.1586 14.0481 14.0481 14.1374 14.2466 18.0816 18.0816 18.1019 18.1536 18.2322 18.3618 18.3618 18.5438 k = 0.2500 0.1043 1.2991 ( 2296 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8301 -25.8301 -25.8271 -17.3228 -17.2743 -17.2743 -17.2552 -17.1160 -17.1059 -17.1059 -17.0658 4.0050 4.0050 4.0103 4.0192 9.5110 9.6038 9.6038 9.7034 10.0113 10.1150 10.2495 10.2495 11.9480 11.9480 12.0458 12.1586 14.0481 14.0481 14.1374 14.2466 18.0816 18.0816 18.1019 18.1536 18.2322 18.3618 18.3618 18.5438 k = 0.2667 0.1112 1.2916 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8303 -25.8300 -25.8271 -17.3227 -17.2764 -17.2723 -17.2552 -17.1160 -17.1074 -17.1042 -17.0659 4.0034 4.0042 4.0121 4.0197 9.5104 9.5961 9.6114 9.7034 10.0118 10.1151 10.2493 10.2496 11.9470 11.9501 12.0457 12.1582 14.0442 14.0518 14.1375 14.2466 18.0776 18.0812 18.1017 18.1523 18.2329 18.3578 18.3671 18.5432 k = 0.2833 0.1182 1.2840 ( 2302 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8330 -25.8305 -25.8298 -25.8272 -17.3225 -17.2785 -17.2704 -17.2551 -17.1162 -17.1089 -17.1025 -17.0661 4.0005 4.0026 4.0148 4.0207 9.5091 9.5879 9.6189 9.7033 10.0136 10.1157 10.2488 10.2492 11.9472 11.9535 12.0453 12.1570 14.0404 14.0554 14.1375 14.2462 18.0711 18.0757 18.1008 18.1483 18.2355 18.3534 18.3749 18.5413 k = 0.3000 0.1251 1.2765 ( 2299 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8329 -25.8306 -25.8296 -25.8271 -17.3220 -17.2807 -17.2685 -17.2550 -17.1163 -17.1103 -17.1006 -17.0663 3.9977 4.0008 4.0172 4.0218 9.5077 9.5795 9.6259 9.7027 10.0170 10.1168 10.2478 10.2481 11.9485 11.9583 12.0449 12.1551 14.0371 14.0592 14.1371 14.2450 18.0627 18.0659 18.0988 18.1421 18.2396 18.3486 18.3837 18.5376 k = 0.3167 0.1321 1.2690 ( 2299 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8329 -25.8307 -25.8294 -25.8271 -17.3214 -17.2829 -17.2667 -17.2549 -17.1164 -17.1115 -17.0988 -17.0667 3.9951 3.9990 4.0192 4.0226 9.5063 9.5712 9.6320 9.7016 10.0221 10.1185 10.2460 10.2462 11.9509 11.9644 12.0444 12.1525 14.0343 14.0631 14.1361 14.2429 18.0528 18.0528 18.0956 18.1345 18.2445 18.3436 18.3925 18.5318 k = 0.3333 0.1390 1.2614 ( 2301 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8329 -25.8309 -25.8292 -25.8271 -17.3207 -17.2851 -17.2650 -17.2548 -17.1166 -17.1127 -17.0969 -17.0672 3.9928 3.9974 4.0207 4.0230 9.5051 9.5631 9.6370 9.6999 10.0290 10.1207 10.2428 10.2437 11.9545 11.9719 12.0439 12.1494 14.0324 14.0673 14.1344 14.2395 18.0375 18.0416 18.0910 18.1256 18.2497 18.3380 18.4003 18.5239 k = 0.3500 0.1460 1.2539 ( 2299 PWs) bands (ev): -52.8970 -52.8970 -52.8968 -52.8968 -25.8328 -25.8310 -25.8290 -25.8271 -17.3197 -17.2872 -17.2634 -17.2546 -17.1167 -17.1137 -17.0950 -17.0678 3.9909 3.9960 4.0216 4.0229 9.5041 9.5553 9.6410 9.6977 10.0376 10.1235 10.2388 10.2405 11.9592 11.9806 12.0434 12.1458 14.0312 14.0716 14.1320 14.2348 18.0208 18.0294 18.0851 18.1155 18.2548 18.3320 18.4065 18.5141 k = 0.3667 0.1529 1.2464 ( 2301 PWs) bands (ev): -52.8971 -52.8971 -52.8968 -52.8968 -25.8327 -25.8311 -25.8288 -25.8272 -17.3187 -17.2894 -17.2619 -17.2544 -17.1169 -17.1147 -17.0931 -17.0686 3.9893 3.9949 4.0220 4.0223 9.5034 9.5478 9.6441 9.6949 10.0477 10.1267 10.2340 10.2368 11.9648 11.9905 12.0431 12.1417 14.0309 14.0760 14.1290 14.2288 18.0036 18.0163 18.0778 18.1041 18.2593 18.3253 18.4107 18.5024 k = 0.3833 0.1599 1.2388 ( 2301 PWs) bands (ev): -52.8971 -52.8971 -52.8968 -52.8968 -25.8326 -25.8312 -25.8286 -25.8272 -17.3174 -17.2915 -17.2605 -17.2542 -17.1171 -17.1154 -17.0912 -17.0695 3.9880 3.9941 4.0211 4.0217 9.5027 9.5406 9.6462 9.6913 10.0591 10.1304 10.2288 10.2327 11.9712 12.0010 12.0430 12.1374 14.0315 14.0800 14.1257 14.2215 17.9864 18.0025 18.0691 18.0914 18.2631 18.3180 18.4127 18.4893 k = 0.4000 0.1668 1.2313 ( 2303 PWs) bands (ev): -52.8971 -52.8971 -52.8968 -52.8968 -25.8325 -25.8313 -25.8285 -25.8272 -17.3160 -17.2936 -17.2591 -17.2540 -17.1172 -17.1161 -17.0893 -17.0705 3.9872 3.9937 4.0193 4.0209 9.5022 9.5337 9.6475 9.6870 10.0716 10.1345 10.2235 10.2284 11.9782 12.0117 12.0437 12.1328 14.0328 14.0831 14.1226 14.2129 17.9696 17.9880 18.0590 18.0776 18.2656 18.3099 18.4124 18.4749 k = 0.4167 0.1738 1.2238 ( 2301 PWs) bands (ev): -52.8971 -52.8971 -52.8968 -52.8968 -25.8324 -25.8313 -25.8282 -25.8272 -17.3144 -17.2956 -17.2579 -17.2537 -17.1174 -17.1166 -17.0874 -17.0715 3.9867 3.9935 4.0169 4.0194 9.5016 9.5270 9.6480 9.6818 10.0849 10.1389 10.2185 10.2244 11.9858 12.0210 12.0464 12.1280 14.0350 14.0844 14.1208 14.2032 17.9534 17.9730 18.0477 18.0627 18.2669 18.3010 18.4100 18.4595 k = 0.4333 0.1807 1.2163 ( 2296 PWs) bands (ev): -52.8971 -52.8971 -52.8969 -52.8969 -25.8322 -25.8313 -25.8280 -25.8272 -17.3127 -17.2976 -17.2567 -17.2535 -17.1174 -17.1170 -17.0855 -17.0727 3.9866 3.9935 4.0141 4.0174 9.5010 9.5206 9.6478 9.6756 10.0987 10.1434 10.2145 10.2211 11.9937 12.0267 12.0530 12.1230 14.0378 14.0830 14.1213 14.1924 17.9380 17.9574 18.0353 18.0470 18.2665 18.2914 18.4057 18.4432 k = 0.4500 0.1877 1.2087 ( 2299 PWs) bands (ev): -52.8971 -52.8971 -52.8969 -52.8969 -25.8320 -25.8313 -25.8278 -25.8272 -17.3109 -17.2995 -17.2557 -17.2533 -17.1176 -17.1173 -17.0837 -17.0740 3.9869 3.9936 4.0108 4.0147 9.5001 9.5142 9.6468 9.6681 10.1128 10.1476 10.2124 10.2190 12.0017 12.0285 12.0636 12.1180 14.0413 14.0786 14.1243 14.1807 17.9234 17.9409 18.0220 18.0308 18.2644 18.2813 18.3997 18.4264 k = 0.4667 0.1946 1.2012 ( 2302 PWs) bands (ev): -52.8971 -52.8971 -52.8970 -52.8970 -25.8318 -25.8314 -25.8277 -25.8273 -17.3089 -17.3013 -17.2548 -17.2532 -17.1176 -17.1175 -17.0819 -17.0754 3.9875 3.9935 4.0075 4.0115 9.4988 9.5080 9.6450 9.6595 10.1267 10.1507 10.2133 10.2188 12.0097 12.0282 12.0762 12.1128 14.0454 14.0720 14.1291 14.1683 17.9094 17.9232 18.0082 18.0142 18.2608 18.2707 18.3926 18.4095 k = 0.4833 0.2016 1.1937 ( 2296 PWs) bands (ev): -52.8971 -52.8971 -52.8970 -52.8970 -25.8316 -25.8313 -25.8274 -25.8272 -17.3068 -17.3030 -17.2539 -17.2531 -17.1176 -17.1175 -17.0800 -17.0768 3.9883 3.9922 4.0050 4.0080 9.4972 9.5016 9.6422 9.6496 10.1400 10.1522 10.2180 10.2212 12.0173 12.0267 12.0894 12.1077 14.0499 14.0638 14.1352 14.1554 17.8956 17.9037 17.9942 17.9974 18.2556 18.2600 18.3851 18.3931 k = 0.5000 0.2085 1.1861 ( 2300 PWs) bands (ev): -52.8971 -52.8971 -52.8971 -52.8971 -25.8314 -25.8314 -25.8273 -25.8273 -17.3046 -17.3046 -17.2531 -17.2531 -17.1176 -17.1176 -17.0783 -17.0783 3.9887 3.9887 4.0045 4.0045 9.4951 9.4951 9.6386 9.6386 10.1521 10.1521 10.2269 10.2269 12.0244 12.0244 12.1027 12.1027 14.0546 14.0546 14.1423 14.1423 17.8817 17.8817 17.9804 17.9804 18.2491 18.2491 18.3778 18.3778 k = 0.5000 0.2085 1.1861 ( 2300 PWs) bands (ev): -52.8971 -52.8971 -52.8971 -52.8971 -25.8314 -25.8314 -25.8273 -25.8273 -17.3046 -17.3046 -17.2531 -17.2531 -17.1176 -17.1176 -17.0783 -17.0783 3.9887 3.9887 4.0045 4.0045 9.4951 9.4951 9.6386 9.6386 10.1521 10.1521 10.2269 10.2269 12.0244 12.0244 12.1027 12.1027 14.0546 14.0546 14.1423 14.1423 17.8817 17.8817 17.9804 17.9804 18.2491 18.2491 18.3778 18.3778 k = 0.5000 0.2085 1.1664 ( 2304 PWs) bands (ev): -52.8971 -52.8971 -52.8971 -52.8971 -25.8312 -25.8312 -25.8271 -25.8271 -17.3037 -17.3037 -17.2521 -17.2521 -17.1175 -17.1175 -17.0781 -17.0781 3.9823 3.9823 4.0002 4.0002 9.4827 9.4827 9.6178 9.6178 10.1669 10.1669 10.2516 10.2516 12.0300 12.0300 12.1139 12.1139 14.0479 14.0479 14.1346 14.1346 17.8317 17.8317 17.9388 17.9388 18.2234 18.2234 18.3480 18.3480 k = 0.5000 0.2085 1.1466 ( 2304 PWs) bands (ev): -52.8972 -52.8972 -52.8972 -52.8972 -25.8309 -25.8309 -25.8267 -25.8267 -17.3026 -17.3026 -17.2508 -17.2508 -17.1173 -17.1173 -17.0778 -17.0778 3.9749 3.9749 3.9948 3.9948 9.4701 9.4701 9.5972 9.5972 10.1832 10.1832 10.2770 10.2770 12.0362 12.0362 12.1262 12.1262 14.0403 14.0403 14.1259 14.1259 17.7807 17.7807 17.8952 17.8952 18.1942 18.1942 18.3149 18.3149 k = 0.5000 0.2085 1.1268 ( 2304 PWs) bands (ev): -52.8973 -52.8973 -52.8973 -52.8973 -25.8305 -25.8305 -25.8264 -25.8264 -17.3013 -17.3013 -17.2494 -17.2494 -17.1172 -17.1172 -17.0774 -17.0774 3.9663 3.9663 3.9883 3.9883 9.4577 9.4577 9.5775 9.5775 10.2007 10.2007 10.3025 10.3025 12.0431 12.0431 12.1392 12.1392 14.0322 14.0322 14.1164 14.1164 17.7294 17.7294 17.8507 17.8507 18.1630 18.1630 18.2798 18.2798 k = 0.5000 0.2085 1.1071 ( 2296 PWs) bands (ev): -52.8974 -52.8974 -52.8974 -52.8974 -25.8300 -25.8300 -25.8259 -25.8259 -17.2999 -17.2999 -17.2478 -17.2478 -17.1169 -17.1169 -17.0770 -17.0770 3.9566 3.9566 3.9805 3.9805 9.4460 9.4460 9.5593 9.5593 10.2190 10.2190 10.3279 10.3279 12.0502 12.0502 12.1526 12.1526 14.0236 14.0236 14.1061 14.1061 17.6782 17.6782 17.8062 17.8062 18.1310 18.1310 18.2442 18.2442 k = 0.5000 0.2085 1.0873 ( 2292 PWs) bands (ev): -52.8974 -52.8974 -52.8974 -52.8974 -25.8295 -25.8295 -25.8254 -25.8254 -17.2983 -17.2983 -17.2460 -17.2460 -17.1166 -17.1166 -17.0765 -17.0765 3.9456 3.9456 3.9713 3.9713 9.4354 9.4354 9.5431 9.5431 10.2380 10.2380 10.3529 10.3529 12.0576 12.0576 12.1662 12.1662 14.0148 14.0148 14.0953 14.0953 17.6277 17.6277 17.7623 17.7623 18.0992 18.0992 18.2089 18.2089 k = 0.5000 0.2085 1.0675 ( 2300 PWs) bands (ev): -52.8976 -52.8976 -52.8976 -52.8976 -25.8291 -25.8291 -25.8250 -25.8250 -17.2967 -17.2967 -17.2442 -17.2442 -17.1164 -17.1164 -17.0760 -17.0760 3.9332 3.9332 3.9606 3.9606 9.4264 9.4264 9.5292 9.5292 10.2574 10.2574 10.3773 10.3773 12.0650 12.0650 12.1797 12.1797 14.0060 14.0060 14.0841 14.0841 17.5781 17.5781 17.7191 17.7191 18.0684 18.0684 18.1746 18.1746 k = 0.5000 0.2085 1.0478 ( 2300 PWs) bands (ev): -52.8977 -52.8977 -52.8977 -52.8977 -25.8286 -25.8286 -25.8245 -25.8245 -17.2949 -17.2949 -17.2422 -17.2422 -17.1162 -17.1162 -17.0755 -17.0755 3.9194 3.9194 3.9483 3.9483 9.4194 9.4194 9.5181 9.5181 10.2770 10.2770 10.4010 10.4010 12.0721 12.0721 12.1928 12.1928 13.9974 13.9974 14.0728 14.0728 17.5297 17.5297 17.6770 17.6770 18.0391 18.0391 18.1419 18.1419 k = 0.5000 0.2085 1.0280 ( 2304 PWs) bands (ev): -52.8978 -52.8978 -52.8978 -52.8978 -25.8281 -25.8281 -25.8239 -25.8239 -17.2930 -17.2930 -17.2400 -17.2400 -17.1159 -17.1159 -17.0750 -17.0750 3.9040 3.9040 3.9344 3.9344 9.4147 9.4147 9.5101 9.5101 10.2969 10.2969 10.4239 10.4239 12.0789 12.0789 12.2053 12.2053 13.9892 13.9892 14.0615 14.0615 17.4827 17.4827 17.6360 17.6360 18.0117 18.0117 18.1110 18.1110 k = 0.5000 0.2085 1.0082 ( 2304 PWs) bands (ev): -52.8980 -52.8980 -52.8980 -52.8980 -25.8275 -25.8275 -25.8233 -25.8233 -17.2908 -17.2908 -17.2377 -17.2377 -17.1156 -17.1156 -17.0744 -17.0744 3.8870 3.8870 3.9187 3.9187 9.4127 9.4127 9.5054 9.5054 10.3168 10.3168 10.4460 10.4460 12.0852 12.0852 12.2169 12.2169 13.9816 13.9816 14.0506 14.0506 17.4372 17.4372 17.5962 17.5962 17.9867 17.9867 18.0819 18.0819 k = 0.5000 0.2085 0.9884 ( 2296 PWs) bands (ev): -52.8981 -52.8981 -52.8981 -52.8981 -25.8267 -25.8267 -25.8226 -25.8226 -17.2886 -17.2886 -17.2351 -17.2351 -17.1152 -17.1152 -17.0737 -17.0737 3.8682 3.8682 3.9012 3.9012 9.4137 9.4137 9.5042 9.5042 10.3367 10.3367 10.4672 10.4672 12.0909 12.0909 12.2276 12.2276 13.9750 13.9750 14.0401 14.0401 17.3932 17.3932 17.5574 17.5574 17.9640 17.9640 18.0544 18.0544 k = 0.5000 0.2085 0.9687 ( 2290 PWs) bands (ev): -52.8982 -52.8982 -52.8982 -52.8982 -25.8260 -25.8260 -25.8219 -25.8219 -17.2862 -17.2862 -17.2325 -17.2325 -17.1148 -17.1148 -17.0729 -17.0729 3.8477 3.8477 3.8817 3.8817 9.4180 9.4180 9.5066 9.5066 10.3565 10.3565 10.4876 10.4876 12.0958 12.0958 12.2371 12.2371 13.9693 13.9693 14.0304 14.0304 17.3510 17.3510 17.5197 17.5197 17.9435 17.9435 18.0283 18.0283 k = 0.5000 0.2085 0.9489 ( 2290 PWs) bands (ev): -52.8984 -52.8984 -52.8984 -52.8984 -25.8253 -25.8253 -25.8212 -25.8212 -17.2837 -17.2837 -17.2297 -17.2297 -17.1145 -17.1145 -17.0722 -17.0722 3.8253 3.8253 3.8603 3.8603 9.4258 9.4258 9.5129 9.5129 10.3763 10.3763 10.5070 10.5070 12.0999 12.0999 12.2453 12.2453 13.9648 13.9648 14.0217 14.0217 17.3106 17.3106 17.4831 17.4831 17.9252 17.9252 18.0035 18.0035 k = 0.5000 0.2085 0.9291 ( 2286 PWs) bands (ev): -52.8985 -52.8985 -52.8985 -52.8985 -25.8245 -25.8245 -25.8204 -25.8204 -17.2811 -17.2811 -17.2268 -17.2268 -17.1140 -17.1140 -17.0714 -17.0714 3.8009 3.8009 3.8370 3.8370 9.4374 9.4374 9.5232 9.5232 10.3958 10.3958 10.5256 10.5256 12.1031 12.1031 12.2523 12.2523 13.9616 13.9616 14.0140 14.0140 17.2719 17.2719 17.4475 17.4475 17.9086 17.9086 17.9796 17.9796 k = 0.5000 0.2085 0.9094 ( 2290 PWs) bands (ev): -52.8987 -52.8987 -52.8987 -52.8987 -25.8238 -25.8238 -25.8197 -25.8197 -17.2784 -17.2784 -17.2239 -17.2239 -17.1136 -17.1136 -17.0706 -17.0706 3.7746 3.7746 3.8116 3.8116 9.4529 9.4529 9.5374 9.5374 10.4152 10.4152 10.5434 10.5434 12.1056 12.1056 12.2581 12.2581 13.9596 13.9596 14.0076 14.0076 17.2350 17.2350 17.4130 17.4130 17.8932 17.8932 17.9563 17.9563 k = 0.5000 0.2085 0.8896 ( 2288 PWs) bands (ev): -52.8989 -52.8989 -52.8989 -52.8989 -25.8230 -25.8230 -25.8189 -25.8189 -17.2756 -17.2756 -17.2208 -17.2208 -17.1131 -17.1131 -17.0698 -17.0698 3.7464 3.7464 3.7842 3.7842 9.4725 9.4725 9.5557 9.5557 10.4345 10.4345 10.5604 10.5604 12.1073 12.1073 12.2627 12.2627 13.9590 13.9590 14.0026 14.0026 17.2001 17.2001 17.3797 17.3797 17.8783 17.8783 17.9335 17.9335 k = 0.5000 0.2085 0.8698 ( 2288 PWs) bands (ev): -52.8991 -52.8991 -52.8991 -52.8991 -25.8222 -25.8222 -25.8181 -25.8181 -17.2727 -17.2727 -17.2176 -17.2176 -17.1127 -17.1127 -17.0689 -17.0689 3.7162 3.7162 3.7548 3.7548 9.4962 9.4962 9.5781 9.5781 10.4535 10.4535 10.5766 10.5766 12.1083 12.1083 12.2663 12.2663 13.9595 13.9595 13.9991 13.9991 17.1671 17.1671 17.3476 17.3476 17.8632 17.8632 17.9111 17.9111 k = 0.5000 0.2085 0.8501 ( 2284 PWs) bands (ev): -52.8993 -52.8993 -52.8993 -52.8993 -25.8213 -25.8213 -25.8173 -25.8173 -17.2697 -17.2697 -17.2143 -17.2143 -17.1121 -17.1121 -17.0680 -17.0680 3.6840 3.6840 3.7235 3.7235 9.5240 9.5240 9.6046 9.6046 10.4722 10.4722 10.5922 10.5922 12.1089 12.1089 12.2690 12.2690 13.9611 13.9611 13.9972 13.9972 17.1360 17.1360 17.3169 17.3169 17.8467 17.8467 17.8894 17.8894 k = 0.5000 0.2085 0.8303 ( 2282 PWs) bands (ev): -52.8994 -52.8994 -52.8994 -52.8994 -25.8204 -25.8204 -25.8164 -25.8164 -17.2666 -17.2666 -17.2109 -17.2109 -17.1116 -17.1116 -17.0670 -17.0670 3.6499 3.6499 3.6902 3.6902 9.5560 9.5560 9.6350 9.6350 10.4908 10.4908 10.6072 10.6072 12.1091 12.1091 12.2712 12.2712 13.9635 13.9635 13.9968 13.9968 17.1069 17.1069 17.2878 17.2878 17.8277 17.8277 17.8687 17.8687 k = 0.5000 0.2085 0.8105 ( 2286 PWs) bands (ev): -52.8997 -52.8997 -52.8997 -52.8997 -25.8195 -25.8195 -25.8155 -25.8155 -17.2635 -17.2635 -17.2075 -17.2075 -17.1110 -17.1110 -17.0660 -17.0660 3.6140 3.6140 3.6550 3.6550 9.5920 9.5920 9.6694 9.6694 10.5091 10.5091 10.6216 10.6216 12.1092 12.1092 12.2729 12.2729 13.9666 13.9666 13.9981 13.9981 17.0799 17.0799 17.2602 17.2602 17.8056 17.8056 17.8491 17.8491 k = 0.5000 0.2085 0.7908 ( 2298 PWs) bands (ev): -52.8999 -52.8999 -52.8999 -52.8999 -25.8187 -25.8187 -25.8148 -25.8148 -17.2604 -17.2604 -17.2041 -17.2041 -17.1105 -17.1105 -17.0651 -17.0651 3.5762 3.5762 3.6181 3.6181 9.6321 9.6321 9.7075 9.7075 10.5272 10.5272 10.6356 10.6356 12.1094 12.1094 12.2745 12.2745 13.9701 13.9701 14.0008 14.0008 17.0549 17.0549 17.2344 17.2344 17.7802 17.7802 17.8300 17.8300 k = 0.5000 0.2085 0.7710 ( 2294 PWs) bands (ev): -52.9001 -52.9001 -52.9001 -52.9001 -25.8178 -25.8178 -25.8138 -25.8138 -17.2571 -17.2571 -17.2005 -17.2005 -17.1099 -17.1099 -17.0641 -17.0641 3.5368 3.5368 3.5795 3.5795 9.6761 9.6761 9.7492 9.7492 10.5451 10.5451 10.6492 10.6492 12.1099 12.1099 12.2763 12.2763 13.9740 13.9740 14.0048 14.0048 17.0322 17.0322 17.2105 17.2105 17.7521 17.7521 17.8107 17.8107 k = 0.5000 0.2085 0.7512 ( 2296 PWs) bands (ev): -52.9003 -52.9003 -52.9003 -52.9003 -25.8169 -25.8169 -25.8129 -25.8129 -17.2537 -17.2537 -17.1969 -17.1969 -17.1092 -17.1092 -17.0630 -17.0630 3.4958 3.4958 3.5392 3.5392 9.7238 9.7238 9.7943 9.7943 10.5629 10.5629 10.6627 10.6627 12.1111 12.1111 12.2785 12.2785 13.9781 13.9781 14.0097 14.0097 17.0116 17.0116 17.1886 17.1886 17.7217 17.7217 17.7903 17.7903 k = 0.5000 0.2085 0.7315 ( 2294 PWs) bands (ev): -52.9005 -52.9005 -52.9005 -52.9005 -25.8159 -25.8159 -25.8120 -25.8120 -17.2503 -17.2503 -17.1932 -17.1932 -17.1085 -17.1085 -17.0619 -17.0619 3.4534 3.4534 3.4975 3.4975 9.7749 9.7749 9.8424 9.8424 10.5806 10.5806 10.6762 10.6762 12.1131 12.1131 12.2815 12.2815 13.9824 13.9824 14.0154 14.0154 16.9933 16.9933 17.1688 17.1688 17.6893 17.6893 17.7684 17.7684 k = 0.5000 0.2085 0.7117 ( 2298 PWs) bands (ev): -52.9007 -52.9007 -52.9007 -52.9007 -25.8149 -25.8149 -25.8111 -25.8111 -17.2469 -17.2469 -17.1896 -17.1896 -17.1078 -17.1078 -17.0608 -17.0608 3.4097 3.4097 3.4545 3.4545 9.8291 9.8291 9.8933 9.8933 10.5983 10.5983 10.6898 10.6898 12.1163 12.1163 12.2854 12.2854 13.9868 13.9868 14.0214 14.0214 16.9773 16.9773 17.1512 17.1512 17.6552 17.6552 17.7447 17.7447 k = 0.5000 0.2085 0.6919 ( 2296 PWs) bands (ev): -52.9009 -52.9009 -52.9009 -52.9009 -25.8139 -25.8139 -25.8101 -25.8101 -17.2433 -17.2433 -17.1858 -17.1858 -17.1070 -17.1070 -17.0597 -17.0597 3.3647 3.3647 3.4102 3.4102 9.8862 9.8862 9.9464 9.9464 10.6163 10.6163 10.7038 10.7038 12.1207 12.1207 12.2905 12.2905 13.9913 13.9913 14.0274 14.0274 16.9637 16.9637 17.1360 17.1360 17.6195 17.6195 17.7192 17.7192 k = 0.5000 0.2085 0.6721 ( 2286 PWs) bands (ev): -52.9011 -52.9011 -52.9011 -52.9011 -25.8128 -25.8128 -25.8091 -25.8091 -17.2397 -17.2397 -17.1821 -17.1821 -17.1061 -17.1061 -17.0585 -17.0585 3.3188 3.3188 3.3648 3.3648 9.9457 9.9457 10.0013 10.0013 10.6346 10.6346 10.7187 10.7187 12.1268 12.1268 12.2970 12.2970 13.9957 13.9957 14.0331 14.0331 16.9525 16.9525 17.1231 17.1231 17.5824 17.5824 17.6917 17.6917 k = 0.5000 0.2085 0.6524 ( 2290 PWs) bands (ev): -52.9014 -52.9014 -52.9014 -52.9014 -25.8119 -25.8119 -25.8082 -25.8082 -17.2362 -17.2362 -17.1785 -17.1785 -17.1052 -17.1052 -17.0574 -17.0574 3.2720 3.2720 3.3186 3.3186 10.0071 10.0071 10.0573 10.0573 10.6536 10.6536 10.7347 10.7347 12.1345 12.1345 12.3052 12.3052 14.0000 14.0000 14.0384 14.0384 16.9437 16.9437 17.1127 17.1127 17.5440 17.5440 17.6624 17.6624 k = 0.5000 0.2085 0.6326 ( 2290 PWs) bands (ev): -52.9016 -52.9016 -52.9016 -52.9016 -25.8109 -25.8109 -25.8072 -25.8072 -17.2326 -17.2326 -17.1749 -17.1749 -17.1042 -17.1042 -17.0562 -17.0562 3.2245 3.2245 3.2715 3.2715 10.0696 10.0696 10.1138 10.1138 10.6737 10.6737 10.7525 10.7525 12.1441 12.1441 12.3151 12.3151 14.0041 14.0041 14.0431 14.0431 16.9375 16.9375 17.1047 17.1047 17.5045 17.5045 17.6314 17.6314 k = 0.5000 0.2085 0.6128 ( 2286 PWs) bands (ev): -52.9018 -52.9018 -52.9018 -52.9018 -25.8098 -25.8098 -25.8062 -25.8062 -17.2290 -17.2290 -17.1713 -17.1713 -17.1032 -17.1032 -17.0550 -17.0550 3.1766 3.1766 3.2239 3.2239 10.1326 10.1326 10.1698 10.1698 10.6952 10.6952 10.7726 10.7726 12.1557 12.1557 12.3269 12.3269 14.0079 14.0079 14.0470 14.0470 16.9337 16.9337 17.0991 17.0991 17.4640 17.4640 17.5989 17.5989 k = 0.5000 0.2085 0.5931 ( 2286 PWs) bands (ev): -52.9020 -52.9020 -52.9020 -52.9020 -25.8088 -25.8088 -25.8053 -25.8053 -17.2253 -17.2253 -17.1678 -17.1678 -17.1020 -17.1020 -17.0538 -17.0538 3.1282 3.1282 3.1758 3.1758 10.1949 10.1949 10.2246 10.2246 10.7188 10.7188 10.7958 10.7958 12.1693 12.1693 12.3406 12.3406 14.0112 14.0112 14.0502 14.0502 16.9324 16.9324 17.0959 17.0959 17.4228 17.4228 17.5651 17.5651 k = 0.5000 0.2085 0.5733 ( 2282 PWs) bands (ev): -52.9022 -52.9022 -52.9022 -52.9022 -25.8078 -25.8078 -25.8043 -25.8043 -17.2217 -17.2217 -17.1644 -17.1644 -17.1008 -17.1008 -17.0527 -17.0527 3.0797 3.0797 3.1274 3.1274 10.2551 10.2551 10.2775 10.2775 10.7453 10.7453 10.8231 10.8231 12.1850 12.1850 12.3563 12.3563 14.0141 14.0141 14.0525 14.0525 16.9334 16.9334 17.0949 17.0949 17.3810 17.3810 17.5304 17.5304 k = 0.5000 0.2085 0.5535 ( 2282 PWs) bands (ev): -52.9024 -52.9024 -52.9024 -52.9024 -25.8068 -25.8068 -25.8034 -25.8034 -17.2181 -17.2181 -17.1611 -17.1611 -17.0995 -17.0995 -17.0515 -17.0515 3.0312 3.0312 3.0789 3.0789 10.3110 10.3110 10.3281 10.3281 10.7757 10.7757 10.8552 10.8552 12.2027 12.2027 12.3740 12.3740 14.0165 14.0165 14.0540 14.0540 16.9367 16.9367 17.0958 17.0958 17.3388 17.3388 17.4951 17.4951 k = 0.5000 0.2085 0.5338 ( 2282 PWs) bands (ev): -52.9026 -52.9026 -52.9026 -52.9026 -25.8058 -25.8058 -25.8024 -25.8024 -17.2145 -17.2145 -17.1580 -17.1580 -17.0981 -17.0981 -17.0503 -17.0503 2.9829 2.9829 3.0304 3.0304 10.3597 10.3597 10.3773 10.3773 10.8109 10.8109 10.8927 10.8927 12.2223 12.2223 12.3937 12.3937 14.0183 14.0183 14.0549 14.0549 16.9420 16.9420 17.0984 17.0984 17.2967 17.2967 17.4597 17.4597 k = 0.5000 0.2085 0.5140 ( 2272 PWs) bands (ev): -52.9028 -52.9028 -52.9028 -52.9028 -25.8047 -25.8047 -25.8014 -25.8014 -17.2109 -17.2109 -17.1549 -17.1549 -17.0965 -17.0965 -17.0491 -17.0491 2.9349 2.9349 2.9822 2.9822 10.4006 10.4006 10.4237 10.4237 10.8519 10.8519 10.9360 10.9360 12.2437 12.2437 12.4152 12.4152 14.0197 14.0197 14.0554 14.0554 16.9489 16.9489 17.1020 17.1020 17.2550 17.2550 17.4249 17.4249 k = 0.5000 0.2085 0.4942 ( 2266 PWs) bands (ev): -52.9030 -52.9030 -52.9030 -52.9030 -25.8037 -25.8037 -25.8005 -25.8005 -17.2073 -17.2073 -17.1520 -17.1520 -17.0948 -17.0948 -17.0479 -17.0479 2.8874 2.8874 2.9342 2.9342 10.4351 10.4351 10.4650 10.4650 10.8992 10.8992 10.9849 10.9849 12.2668 12.2668 12.4384 12.4384 14.0205 14.0205 14.0558 14.0558 16.9566 16.9566 17.1058 17.1058 17.2145 17.2145 17.3919 17.3919 k = 0.5000 0.2085 0.4745 ( 2266 PWs) bands (ev): -52.9032 -52.9032 -52.9032 -52.9032 -25.8027 -25.8027 -25.7996 -25.7996 -17.2038 -17.2038 -17.1494 -17.1494 -17.0931 -17.0931 -17.0468 -17.0468 2.8406 2.8406 2.8868 2.8868 10.4643 10.4643 10.5004 10.5004 10.9527 10.9527 11.0388 11.0388 12.2912 12.2912 12.4630 12.4630 14.0209 14.0209 14.0562 14.0562 16.9637 16.9637 17.1085 17.1085 17.1763 17.1763 17.3620 17.3620 k = 0.5000 0.2085 0.4547 ( 2270 PWs) bands (ev): -52.9034 -52.9034 -52.9034 -52.9034 -25.8018 -25.8018 -25.7988 -25.7988 -17.2003 -17.2003 -17.1471 -17.1471 -17.0912 -17.0912 -17.0457 -17.0457 2.7945 2.7945 2.8401 2.8401 10.4890 10.4890 10.5299 10.5299 11.0117 11.0117 11.0967 11.0967 12.3167 12.3167 12.4886 12.4886 14.0211 14.0211 14.0572 14.0572 16.9677 16.9677 17.1080 17.1080 17.1431 17.1431 17.3377 17.3377 k = 0.5000 0.2085 0.4349 ( 2270 PWs) bands (ev): -52.9036 -52.9036 -52.9036 -52.9036 -25.8008 -25.8008 -25.7979 -25.7979 -17.1969 -17.1969 -17.1449 -17.1449 -17.0892 -17.0892 -17.0447 -17.0447 2.7494 2.7494 2.7941 2.7941 10.5100 10.5100 10.5543 10.5543 11.0751 11.0751 11.1578 11.1578 12.3429 12.3429 12.5150 12.5150 14.0213 14.0213 14.0588 14.0588 16.9643 16.9643 17.0994 17.0994 17.1216 17.1216 17.3212 17.3212 k = 0.5000 0.2085 0.4151 ( 2270 PWs) bands (ev): -52.9038 -52.9038 -52.9038 -52.9038 -25.7999 -25.7999 -25.7971 -25.7971 -17.1936 -17.1936 -17.1429 -17.1429 -17.0870 -17.0870 -17.0437 -17.0437 2.7054 2.7054 2.7492 2.7492 10.5280 10.5280 10.5745 10.5745 11.1416 11.1416 11.2211 11.2211 12.3694 12.3694 12.5415 12.5415 14.0218 14.0218 14.0615 14.0615 16.9495 16.9495 17.0787 17.0787 17.1182 17.1182 17.3144 17.3144 k = 0.5000 0.2085 0.3954 ( 2284 PWs) bands (ev): -52.9040 -52.9040 -52.9040 -52.9040 -25.7992 -25.7992 -25.7965 -25.7965 -17.1904 -17.1904 -17.1413 -17.1413 -17.0849 -17.0849 -17.0428 -17.0428 2.6626 2.6626 2.7052 2.7052 10.5436 10.5436 10.5915 10.5915 11.2101 11.2101 11.2858 11.2858 12.3959 12.3959 12.5676 12.5676 14.0232 14.0232 14.0653 14.0653 16.9240 16.9240 17.0527 17.0527 17.1257 17.1257 17.3168 17.3168 k = 0.5000 0.2085 0.3756 ( 2278 PWs) bands (ev): -52.9042 -52.9042 -52.9042 -52.9042 -25.7983 -25.7983 -25.7957 -25.7957 -17.1871 -17.1871 -17.1397 -17.1397 -17.0826 -17.0826 -17.0419 -17.0419 2.6212 2.6212 2.6626 2.6626 10.5573 10.5573 10.6059 10.6059 11.2798 11.2798 11.3511 11.3511 12.4217 12.4217 12.5927 12.5927 14.0258 14.0258 14.0705 14.0705 16.8918 16.8918 17.0226 17.0226 17.1411 17.1411 17.3268 17.3268 k = 0.5000 0.2085 0.3558 ( 2274 PWs) bands (ev): -52.9043 -52.9043 -52.9043 -52.9043 -25.7974 -25.7974 -25.7949 -25.7949 -17.1839 -17.1839 -17.1384 -17.1384 -17.0801 -17.0801 -17.0410 -17.0410 2.5812 2.5812 2.6212 2.6212 10.5696 10.5696 10.6183 10.6183 11.3497 11.3497 11.4165 11.4165 12.4465 12.4465 12.6161 12.6161 14.0302 14.0302 14.0773 14.0773 16.8565 16.8565 16.9892 16.9892 17.1618 17.1618 17.3423 17.3423 k = 0.5000 0.2085 0.3361 ( 2274 PWs) bands (ev): -52.9045 -52.9045 -52.9045 -52.9045 -25.7966 -25.7966 -25.7942 -25.7942 -17.1808 -17.1808 -17.1373 -17.1373 -17.0776 -17.0776 -17.0402 -17.0402 2.5429 2.5429 2.5814 2.5814 10.5807 10.5807 10.6291 10.6291 11.4193 11.4193 11.4816 11.4816 12.4698 12.4698 12.6370 12.6370 14.0366 14.0366 14.0857 14.0857 16.8203 16.8203 16.9539 16.9539 17.1860 17.1860 17.3615 17.3615 k = 0.5000 0.2085 0.3163 ( 2278 PWs) bands (ev): -52.9046 -52.9046 -52.9046 -52.9046 -25.7959 -25.7959 -25.7936 -25.7936 -17.1778 -17.1778 -17.1364 -17.1364 -17.0751 -17.0751 -17.0395 -17.0395 2.5062 2.5062 2.5431 2.5431 10.5909 10.5909 10.6386 10.6386 11.4881 11.4881 11.5459 11.5459 12.4909 12.4909 12.6548 12.6548 14.0455 14.0455 14.0959 14.0959 16.7843 16.7843 16.9177 16.9177 17.2128 17.2128 17.3833 17.3833 k = 0.5000 0.2085 0.2965 ( 2282 PWs) bands (ev): -52.9048 -52.9048 -52.9048 -52.9048 -25.7951 -25.7951 -25.7930 -25.7930 -17.1749 -17.1749 -17.1357 -17.1357 -17.0726 -17.0726 -17.0389 -17.0389 2.4713 2.4713 2.5065 2.5065 10.6004 10.6004 10.6471 10.6471 11.5558 11.5558 11.6092 11.6092 12.5096 12.5096 12.6690 12.6690 14.0570 14.0570 14.1078 14.1078 16.7494 16.7494 16.8816 16.8816 17.2414 17.2414 17.4069 17.4069 k = 0.5000 0.2085 0.2768 ( 2284 PWs) bands (ev): -52.9050 -52.9050 -52.9049 -52.9049 -25.7945 -25.7945 -25.7924 -25.7924 -17.1721 -17.1721 -17.1351 -17.1351 -17.0701 -17.0701 -17.0383 -17.0383 2.4384 2.4384 2.4717 2.4717 10.6093 10.6093 10.6547 10.6547 11.6221 11.6221 11.6713 11.6713 12.5253 12.5253 12.6790 12.6790 14.0711 14.0711 14.1215 14.1215 16.7162 16.7162 16.8460 16.8460 17.2715 17.2715 17.4317 17.4317 k = 0.5000 0.2085 0.2570 ( 2284 PWs) bands (ev): -52.9051 -52.9051 -52.9051 -52.9051 -25.7938 -25.7938 -25.7919 -25.7919 -17.1693 -17.1693 -17.1348 -17.1348 -17.0676 -17.0676 -17.0379 -17.0379 2.4074 2.4074 2.4388 2.4388 10.6177 10.6177 10.6615 10.6615 11.6869 11.6869 11.7322 11.7322 12.5377 12.5377 12.6845 12.6845 14.0877 14.0877 14.1367 14.1367 16.6850 16.6850 16.8115 16.8115 17.3025 17.3025 17.4571 17.4571 k = 0.5000 0.2085 0.2372 ( 2292 PWs) bands (ev): -52.9052 -52.9052 -52.9052 -52.9052 -25.7932 -25.7932 -25.7915 -25.7915 -17.1667 -17.1667 -17.1347 -17.1347 -17.0651 -17.0651 -17.0375 -17.0375 2.3785 2.3785 2.4078 2.4078 10.6257 10.6257 10.6675 10.6675 11.7500 11.7500 11.7916 11.7916 12.5465 12.5465 12.6853 12.6853 14.1063 14.1063 14.1531 14.1531 16.6563 16.6563 16.7784 16.7784 17.3343 17.3343 17.4827 17.4827 k = 0.5000 0.2085 0.2175 ( 2292 PWs) bands (ev): -52.9053 -52.9053 -52.9053 -52.9053 -25.7926 -25.7926 -25.7910 -25.7910 -17.1641 -17.1641 -17.1346 -17.1346 -17.0627 -17.0627 -17.0373 -17.0373 2.3518 2.3518 2.3789 2.3789 10.6332 10.6332 10.6729 10.6729 11.8112 11.8112 11.8495 11.8495 12.5516 12.5516 12.6814 12.6814 14.1267 14.1267 14.1706 14.1706 16.6302 16.6302 16.7469 16.7469 17.3665 17.3665 17.5081 17.5081 k = 0.5000 0.2085 0.1977 ( 2290 PWs) bands (ev): -52.9054 -52.9054 -52.9054 -52.9054 -25.7920 -25.7920 -25.7906 -25.7906 -17.1616 -17.1616 -17.1346 -17.1346 -17.0603 -17.0603 -17.0371 -17.0371 2.3272 2.3272 2.3522 2.3522 10.6404 10.6404 10.6776 10.6776 11.8706 11.8706 11.9059 11.9059 12.5527 12.5527 12.6729 12.6729 14.1481 14.1481 14.1887 14.1887 16.6069 16.6069 16.7174 16.7174 17.3988 17.3988 17.5331 17.5331 k = 0.5000 0.2085 0.1779 ( 2294 PWs) bands (ev): -52.9055 -52.9055 -52.9055 -52.9055 -25.7916 -25.7916 -25.7902 -25.7902 -17.1593 -17.1593 -17.1349 -17.1349 -17.0580 -17.0580 -17.0371 -17.0371 2.3050 2.3050 2.3276 2.3276 10.6473 10.6473 10.6817 10.6817 11.9280 11.9280 11.9607 11.9607 12.5499 12.5499 12.6600 12.6600 14.1700 14.1700 14.2068 14.2068 16.5867 16.5867 16.6898 16.6898 17.4310 17.4310 17.5571 17.5571 k = 0.5000 0.2085 0.1582 ( 2290 PWs) bands (ev): -52.9056 -52.9056 -52.9056 -52.9056 -25.7910 -25.7910 -25.7898 -25.7898 -17.1569 -17.1569 -17.1352 -17.1352 -17.0557 -17.0557 -17.0371 -17.0371 2.2850 2.2850 2.3054 2.3054 10.6537 10.6537 10.6851 10.6851 11.9835 11.9835 12.0140 12.0140 12.5432 12.5432 12.6430 12.6430 14.1917 14.1917 14.2245 14.2245 16.5697 16.5697 16.6644 16.6644 17.4628 17.4628 17.5797 17.5797 k = 0.5000 0.2085 0.1384 ( 2290 PWs) bands (ev): -52.9057 -52.9057 -52.9057 -52.9057 -25.7906 -25.7906 -25.7896 -25.7896 -17.1548 -17.1548 -17.1357 -17.1357 -17.0536 -17.0536 -17.0373 -17.0373 2.2675 2.2675 2.2854 2.2854 10.6598 10.6598 10.6879 10.6879 12.0369 12.0369 12.0656 12.0656 12.5327 12.5327 12.6223 12.6223 14.2126 14.2126 14.2413 14.2413 16.5557 16.5557 16.6412 16.6412 17.4938 17.4938 17.6005 17.6005 k = 0.5000 0.2085 0.1186 ( 2286 PWs) bands (ev): -52.9058 -52.9058 -52.9058 -52.9058 -25.7902 -25.7902 -25.7893 -25.7893 -17.1526 -17.1526 -17.1363 -17.1363 -17.0516 -17.0516 -17.0375 -17.0375 2.2524 2.2524 2.2678 2.2678 10.6655 10.6655 10.6900 10.6900 12.0882 12.0882 12.1154 12.1154 12.5186 12.5186 12.5982 12.5982 14.2322 14.2322 14.2567 14.2567 16.5449 16.5449 16.6201 16.6201 17.5235 17.5235 17.6189 17.6189 k = 0.5000 0.2085 0.0988 ( 2290 PWs) bands (ev): -52.9058 -52.9058 -52.9058 -52.9058 -25.7899 -25.7899 -25.7891 -25.7891 -17.1507 -17.1507 -17.1371 -17.1371 -17.0497 -17.0497 -17.0380 -17.0380 2.2397 2.2397 2.2527 2.2527 10.6707 10.6707 10.6915 10.6915 12.1372 12.1372 12.1635 12.1635 12.5011 12.5011 12.5710 12.5710 14.2498 14.2498 14.2702 14.2702 16.5372 16.5372 16.6013 16.6013 17.5515 17.5515 17.6343 17.6343 k = 0.5000 0.2085 0.0791 ( 2290 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7896 -25.7896 -25.7890 -25.7890 -17.1488 -17.1488 -17.1379 -17.1379 -17.0479 -17.0479 -17.0386 -17.0386 2.2296 2.2296 2.2400 2.2400 10.6754 10.6754 10.6923 10.6923 12.1838 12.1838 12.2096 12.2096 12.4806 12.4806 12.5413 12.5413 14.2651 14.2651 14.2814 14.2814 16.5324 16.5324 16.5847 16.5847 17.5774 17.5774 17.6461 17.6461 k = 0.5000 0.2085 0.0593 ( 2290 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7893 -25.7893 -25.7889 -25.7889 -17.1470 -17.1470 -17.1389 -17.1389 -17.0463 -17.0463 -17.0393 -17.0393 2.2220 2.2220 2.2298 2.2298 10.6796 10.6796 10.6924 10.6924 12.2276 12.2276 12.2532 12.2532 12.4576 12.4576 12.5095 12.5095 14.2778 14.2778 14.2900 14.2900 16.5304 16.5304 16.5702 16.5702 17.6006 17.6006 17.6538 17.6538 k = 0.5000 0.2085 0.0395 ( 2288 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7891 -25.7891 -25.7888 -25.7888 -17.1454 -17.1454 -17.1399 -17.1399 -17.0448 -17.0448 -17.0401 -17.0401 2.2169 2.2169 2.2221 2.2221 10.6833 10.6833 10.6919 10.6919 12.2679 12.2679 12.2929 12.2929 12.4338 12.4338 12.4763 12.4763 14.2876 14.2876 14.2957 14.2957 16.5311 16.5311 16.5579 16.5579 17.6205 17.6205 17.6567 17.6567 k = 0.5000 0.2085 0.0198 ( 2284 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7889 -25.7889 -25.7888 -25.7888 -17.1438 -17.1438 -17.1411 -17.1411 -17.0434 -17.0434 -17.0410 -17.0410 2.2144 2.2144 2.2170 2.2170 10.6864 10.6864 10.6907 10.6907 12.3030 12.3030 12.3229 12.3229 12.4150 12.4150 12.4437 12.4437 14.2944 14.2944 14.2984 14.2984 16.5343 16.5343 16.5478 16.5478 17.6364 17.6364 17.6549 17.6549 k = 0.5000 0.2085-0.0000 ( 2276 PWs) bands (ev): -52.9059 -52.9059 -52.9059 -52.9059 -25.7887 -25.7887 -25.7887 -25.7887 -17.1423 -17.1423 -17.1423 -17.1423 -17.0421 -17.0421 -17.0421 -17.0421 2.2144 2.2144 2.2144 2.2144 10.6889 10.6889 10.6889 10.6889 12.3269 12.3269 12.3269 12.3269 12.4178 12.4178 12.4178 12.4178 14.2980 14.2980 14.2980 14.2980 16.5399 16.5399 16.5399 16.5399 17.6480 17.6480 17.6480 17.6480 k = 0.0000 0.0000 1.2991 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8321 -25.8321 -25.8280 -25.8280 -17.3072 -17.3072 -17.2559 -17.2559 -17.1179 -17.1179 -17.0790 -17.0790 4.0068 4.0068 4.0128 4.0128 9.5354 9.5354 9.7135 9.7135 10.1144 10.1144 10.1364 10.1364 12.0092 12.0092 12.0693 12.0693 14.0737 14.0737 14.1635 14.1635 18.0807 18.0807 18.0982 18.0982 18.2973 18.2973 18.4543 18.4543 k = 0.0179 0.0074 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8323 -25.8320 -25.8282 -25.8279 -17.3092 -17.3051 -17.2564 -17.2556 -17.1179 -17.1179 -17.0808 -17.0773 4.0064 4.0072 4.0121 4.0135 9.5327 9.5383 9.7091 9.7167 10.1012 10.1280 10.1292 10.1448 12.0033 12.0147 12.0579 12.0804 14.0676 14.0801 14.1535 14.1732 18.0768 18.0852 18.0982 18.0982 18.2915 18.3030 18.4452 18.4635 k = 0.0357 0.0149 1.2991 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8323 -25.8319 -25.8283 -25.8278 -17.3111 -17.3029 -17.2570 -17.2554 -17.1178 -17.1176 -17.0826 -17.0757 4.0061 4.0075 4.0114 4.0143 9.5301 9.5413 9.7036 9.7188 10.0886 10.1233 10.1419 10.1541 11.9971 12.0198 12.0463 12.0910 14.0618 14.0866 14.1434 14.1828 18.0736 18.0904 18.0982 18.0983 18.2857 18.3085 18.4364 18.4727 k = 0.0536 0.0223 1.2991 ( 2310 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8325 -25.8319 -25.8285 -25.8278 -17.3130 -17.3007 -17.2578 -17.2552 -17.1178 -17.1175 -17.0846 -17.0743 4.0058 4.0079 4.0106 4.0150 9.5275 9.5446 9.6972 9.7197 10.0767 10.1187 10.1557 10.1643 11.9907 12.0244 12.0347 12.1011 14.0565 14.0931 14.1333 14.1919 18.0710 18.0961 18.0980 18.0984 18.2798 18.3139 18.4278 18.4818 k = 0.0714 0.0298 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8325 -25.8317 -25.8286 -25.8276 -17.3146 -17.2983 -17.2586 -17.2551 -17.1175 -17.1170 -17.0865 -17.0728 4.0055 4.0083 4.0099 4.0156 9.5251 9.5481 9.6899 9.7197 10.0656 10.1153 10.1694 10.1751 11.9842 12.0232 12.0285 12.1106 14.0518 14.0996 14.1233 14.2006 18.0693 18.0978 18.0986 18.1022 18.2740 18.3191 18.4196 18.4908 k = 0.0893 0.0372 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8326 -25.8315 -25.8287 -25.8275 -17.3161 -17.2959 -17.2595 -17.2550 -17.1173 -17.1164 -17.0885 -17.0715 4.0052 4.0086 4.0093 4.0162 9.5228 9.5519 9.6820 9.7187 10.0554 10.1131 10.1827 10.1860 11.9778 12.0119 12.0321 12.1194 14.0477 14.1059 14.1136 14.2088 18.0682 18.0974 18.0989 18.1087 18.2682 18.3241 18.4117 18.4994 k = 0.1071 0.0447 1.2991 ( 2298 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8327 -25.8314 -25.8288 -25.8274 -17.3174 -17.2935 -17.2606 -17.2550 -17.1171 -17.1158 -17.0904 -17.0704 4.0050 4.0086 4.0089 4.0168 9.5206 9.5560 9.6736 9.7171 10.0462 10.1119 10.1954 10.1970 11.9716 12.0011 12.0352 12.1274 14.0443 14.1041 14.1118 14.2163 18.0678 18.0968 18.0993 18.1154 18.2625 18.3289 18.4044 18.5077 k = 0.1250 0.0521 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8328 -25.8313 -25.8290 -25.8274 -17.3187 -17.2911 -17.2618 -17.2550 -17.1169 -17.1150 -17.0925 -17.0694 4.0048 4.0080 4.0092 4.0174 9.5186 9.5604 9.6648 9.7150 10.0380 10.1115 10.2072 10.2075 11.9657 11.9908 12.0379 12.1345 14.0417 14.0950 14.1174 14.2231 18.0680 18.0958 18.0997 18.1222 18.2570 18.3335 18.3975 18.5153 k = 0.1429 0.0596 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8328 -25.8311 -25.8292 -25.8273 -17.3198 -17.2886 -17.2632 -17.2550 -17.1167 -17.1141 -17.0945 -17.0684 4.0047 4.0074 4.0095 4.0178 9.5167 9.5653 9.6558 9.7126 10.0309 10.1117 10.2174 10.2179 11.9603 11.9813 12.0401 12.1408 14.0400 14.0864 14.1224 14.2291 18.0689 18.0946 18.1002 18.1289 18.2516 18.3379 18.3911 18.5223 k = 0.1607 0.0670 1.2991 ( 2302 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8310 -25.8294 -25.8273 -17.3207 -17.2861 -17.2648 -17.2551 -17.1165 -17.1131 -17.0965 -17.0677 4.0046 4.0069 4.0097 4.0182 9.5151 9.5706 9.6467 9.7102 10.0249 10.1123 10.2264 10.2273 11.9557 11.9728 12.0419 12.1462 14.0391 14.0783 14.1268 14.2344 18.0702 18.0931 18.1006 18.1353 18.2466 18.3421 18.3852 18.5285 k = 0.1786 0.0745 1.2991 ( 2300 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8308 -25.8295 -25.8272 -17.3214 -17.2837 -17.2665 -17.2551 -17.1163 -17.1118 -17.0985 -17.0670 4.0046 4.0064 4.0099 4.0186 9.5137 9.5763 9.6377 9.7080 10.0200 10.1130 10.2342 10.2352 11.9519 11.9653 12.0434 12.1506 14.0391 14.0708 14.1305 14.2387 18.0719 18.0912 18.1011 18.1411 18.2420 18.3461 18.3798 18.5339 k = 0.1964 0.0819 1.2991 ( 2296 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8306 -25.8296 -25.8272 -17.3220 -17.2812 -17.2682 -17.2551 -17.1162 -17.1105 -17.1004 -17.0665 4.0046 4.0060 4.0101 4.0189 9.5125 9.5825 9.6288 9.7061 10.0162 10.1138 10.2405 10.2415 11.9491 11.9590 12.0444 12.1541 14.0400 14.0640 14.1335 14.2421 18.0741 18.0891 18.1014 18.1462 18.2380 18.3501 18.3748 18.5381 k = 0.2143 0.0894 1.2991 ( 2300 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8305 -25.8298 -25.8272 -17.3225 -17.2789 -17.2701 -17.2552 -17.1161 -17.1091 -17.1023 -17.0661 4.0047 4.0056 4.0102 4.0190 9.5117 9.5891 9.6201 9.7046 10.0134 10.1144 10.2453 10.2460 11.9475 11.9540 12.0452 12.1566 14.0418 14.0579 14.1356 14.2446 18.0764 18.0867 18.1017 18.1502 18.2349 18.3539 18.3702 18.5412 k = 0.2321 0.0968 1.2991 ( 2296 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8303 -25.8299 -25.8271 -17.3227 -17.2765 -17.2722 -17.2552 -17.1160 -17.1075 -17.1041 -17.0659 4.0048 4.0053 4.0103 4.0192 9.5112 9.5963 9.6118 9.7037 10.0118 10.1149 10.2483 10.2487 11.9471 11.9503 12.0456 12.1581 14.0445 14.0526 14.1369 14.2461 18.0790 18.0842 18.1019 18.1527 18.2329 18.3578 18.3659 18.5431 k = 0.2500 0.1043 1.2991 ( 2296 PWs) bands (ev): -52.8969 -52.8969 -52.8969 -52.8969 -25.8329 -25.8301 -25.8301 -25.8271 -17.3228 -17.2743 -17.2743 -17.2552 -17.1160 -17.1059 -17.1059 -17.0658 4.0050 4.0050 4.0103 4.0192 9.5110 9.6038 9.6038 9.7034 10.0113 10.1150 10.2495 10.2495 11.9480 11.9480 12.0458 12.1586 14.0481 14.0481 14.1374 14.2466 18.0816 18.0816 18.1019 18.1536 18.2322 18.3618 18.3618 18.5438 Writing output data file TaAs.save init_run : 1.61s CPU 13.35s WALL ( 1 calls) electrons : 597.86s CPU 604.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.22s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 597.84s CPU 604.61s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.78s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.47s WALL ( 1 calls) newd : 0.26s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.27s WALL ( 393 calls) cegterg : 517.58s CPU 521.15s WALL ( 756 calls) Called by sum_band: Called by *egterg: h_psi : 345.71s CPU 352.35s WALL ( 10802 calls) s_psi : 13.84s CPU 14.38s WALL ( 10802 calls) g_psi : 0.30s CPU 0.33s WALL ( 9653 calls) cdiaghg : 132.60s CPU 130.95s WALL ( 10046 calls) cegterg:over : 29.85s CPU 26.75s WALL ( 9653 calls) cegterg:upda : 3.08s CPU 5.54s WALL ( 9653 calls) cegterg:last : 3.16s CPU 3.94s WALL ( 1935 calls) Called by h_psi: h_psi:vloc : 316.48s CPU 322.31s WALL ( 10802 calls) h_psi:vnl : 29.12s CPU 29.70s WALL ( 10802 calls) add_vuspsi : 7.07s CPU 10.54s WALL ( 10802 calls) General routines calbec : 22.02s CPU 19.05s WALL ( 10802 calls) fft : 0.09s CPU 1.05s WALL ( 19 calls) ffts : 0.04s CPU 0.04s WALL ( 4 calls) fftw : 296.99s CPU 301.84s WALL ( 1055684 calls) interpolate : 0.07s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 2.05s WALL ( 786 calls) Parallel routines fft_scatter : 150.53s CPU 151.74s WALL ( 1055707 calls) PWSCF : 10m54.52s CPU 12m58.68s WALL This run was terminated on: 11:12:41 29Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=