Program PWSCF v.5.1.1 starts on 12Jun2016 at 13:20:54 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: ./LiFeAs.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 33 9 535 535 84 Max 34 34 10 539 539 88 Sum 1617 1617 475 25775 25775 4167 bravais-lattice index = 14 lattice parameter (alat) = 7.6638 a.u. unit-cell volume = 182.8179 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.663779 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.768320 celldm(5)= -0.768320 celldm(6)= 0.536640 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.536640 0.843811 0.000000 ) a(3) = ( -0.768320 -0.421906 0.481332 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.635971 1.038785 ) b(2) = ( 0.000000 1.185099 1.038785 ) b(3) = ( 0.000000 0.000000 2.077570 ) 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 Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 513 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019493 k( 2) = ( 0.0000000 0.0000000 0.0128245), wk = 0.0019493 k( 3) = ( 0.0000000 0.0000000 0.0256490), wk = 0.0019493 k( 4) = ( 0.0000000 0.0000000 0.0384735), wk = 0.0019493 k( 5) = ( 0.0000000 0.0000000 0.0512980), wk = 0.0019493 k( 6) = ( 0.0000000 0.0000000 0.0641225), wk = 0.0019493 k( 7) = ( 0.0000000 0.0000000 0.0769470), wk = 0.0019493 k( 8) = ( 0.0000000 0.0000000 0.0897715), wk = 0.0019493 k( 9) = ( 0.0000000 0.0000000 0.1025961), wk = 0.0019493 k( 10) = ( 0.0000000 0.0000000 0.1154206), wk = 0.0019493 k( 11) = ( 0.0000000 0.0000000 0.1282451), wk = 0.0019493 k( 12) = ( 0.0000000 0.0000000 0.1410696), wk = 0.0019493 k( 13) = ( 0.0000000 0.0000000 0.1538941), wk = 0.0019493 k( 14) = ( 0.0000000 0.0000000 0.1667186), wk = 0.0019493 k( 15) = ( 0.0000000 0.0000000 0.1795431), wk = 0.0019493 k( 16) = ( 0.0000000 0.0000000 0.1923676), wk = 0.0019493 k( 17) = ( 0.0000000 0.0000000 0.2051921), wk = 0.0019493 k( 18) = ( 0.0000000 0.0000000 0.2180166), wk = 0.0019493 k( 19) = ( 0.0000000 0.0000000 0.2308411), wk = 0.0019493 k( 20) = ( 0.0000000 0.0000000 0.2436656), wk = 0.0019493 k( 21) = ( 0.0000000 0.0000000 0.2564901), wk = 0.0019493 k( 22) = ( 0.0000000 0.0000000 0.2693146), wk = 0.0019493 k( 23) = ( 0.0000000 0.0000000 0.2821391), wk = 0.0019493 k( 24) = ( 0.0000000 0.0000000 0.2949636), wk = 0.0019493 k( 25) = ( 0.0000000 0.0000000 0.3077881), wk = 0.0019493 k( 26) = ( 0.0000000 0.0000000 0.3206126), wk = 0.0019493 k( 27) = ( 0.0000000 0.0000000 0.3334371), wk = 0.0019493 k( 28) = ( 0.0000000 0.0000000 0.3462617), wk = 0.0019493 k( 29) = ( 0.0000000 0.0000000 0.3590862), wk = 0.0019493 k( 30) = ( 0.0000000 0.0000000 0.3719107), wk = 0.0019493 k( 31) = ( 0.0000000 0.0000000 0.3847352), wk = 0.0019493 k( 32) = ( 0.0000000 0.0000000 0.3975597), wk = 0.0019493 k( 33) = ( 0.0000000 0.0000000 0.4103842), wk = 0.0019493 k( 34) = ( 0.0000000 0.0000000 0.4232087), wk = 0.0019493 k( 35) = ( 0.0000000 0.0000000 0.4360332), wk = 0.0019493 k( 36) = ( 0.0000000 0.0000000 0.4488577), wk = 0.0019493 k( 37) = ( 0.0000000 0.0000000 0.4616822), wk = 0.0019493 k( 38) = ( 0.0000000 0.0000000 0.4745067), wk = 0.0019493 k( 39) = ( 0.0000000 0.0000000 0.4873312), wk = 0.0019493 k( 40) = ( 0.0000000 0.0000000 0.5001557), wk = 0.0019493 k( 41) = ( 0.0000000 0.0000000 0.5129802), wk = 0.0019493 k( 42) = ( 0.0000000 0.0000000 0.5258047), wk = 0.0019493 k( 43) = ( 0.0000000 0.0000000 0.5386292), wk = 0.0019493 k( 44) = ( 0.0000000 0.0000000 0.5514537), wk = 0.0019493 k( 45) = ( 0.0000000 0.0000000 0.5642782), wk = 0.0019493 k( 46) = ( 0.0000000 0.0000000 0.5771028), wk = 0.0019493 k( 47) = ( 0.0000000 0.0000000 0.5899273), wk = 0.0019493 k( 48) = ( 0.0000000 0.0000000 0.6027518), wk = 0.0019493 k( 49) = ( 0.0000000 0.0000000 0.6155763), wk = 0.0019493 k( 50) = ( 0.0000000 0.0000000 0.6284008), wk = 0.0019493 k( 51) = ( 0.0000000 0.0000000 0.6412253), wk = 0.0019493 k( 52) = ( 0.0000000 0.0000000 0.6540498), wk = 0.0019493 k( 53) = ( 0.0000000 0.0000000 0.6668743), wk = 0.0019493 k( 54) = ( 0.0000000 0.0000000 0.6796988), wk = 0.0019493 k( 55) = ( 0.0000000 0.0000000 0.6925233), wk = 0.0019493 k( 56) = ( 0.0000000 0.0000000 0.7053478), wk = 0.0019493 k( 57) = ( 0.0000000 0.0000000 0.7181723), wk = 0.0019493 k( 58) = ( 0.0000000 0.0000000 0.7309968), wk = 0.0019493 k( 59) = ( 0.0000000 0.0000000 0.7438213), wk = 0.0019493 k( 60) = ( 0.0000000 0.0000000 0.7566458), wk = 0.0019493 k( 61) = ( 0.0000000 0.0000000 0.7694703), wk = 0.0019493 k( 62) = ( 0.0000000 0.0000000 0.7822948), wk = 0.0019493 k( 63) = ( 0.0000000 0.0000000 0.7951193), wk = 0.0019493 k( 64) = ( 0.0000000 0.0000000 0.8079438), wk = 0.0019493 k( 65) = ( 0.0000000 0.0000000 0.8207684), wk = 0.0019493 k( 66) = ( 0.0000000 0.0000000 0.8335929), wk = 0.0019493 k( 67) = ( 0.0000000 0.0000000 0.8464174), wk = 0.0019493 k( 68) = ( 0.0000000 0.0000000 0.8592419), wk = 0.0019493 k( 69) = ( 0.0000000 0.0000000 0.8720664), wk = 0.0019493 k( 70) = ( 0.0000000 0.0000000 0.8848909), wk = 0.0019493 k( 71) = ( 0.0000000 0.0000000 0.8977154), wk = 0.0019493 k( 72) = ( 0.0000000 0.0000000 0.9105399), wk = 0.0019493 k( 73) = ( 0.0000000 0.0000000 0.9233644), wk = 0.0019493 k( 74) = ( 0.0000000 0.0000000 0.9361889), wk = 0.0019493 k( 75) = ( 0.0000000 0.0000000 0.9490134), wk = 0.0019493 k( 76) = ( 0.0000000 0.0000000 0.9618379), wk = 0.0019493 k( 77) = ( 0.0000000 0.0000000 0.9746624), wk = 0.0019493 k( 78) = ( 0.0000000 0.0000000 0.9874869), wk = 0.0019493 k( 79) = ( 0.0000000 0.0000000 1.0003114), wk = 0.0019493 k( 80) = ( 0.0000000 0.0000000 1.0131359), wk = 0.0019493 k( 81) = ( 0.0000000 0.0000000 1.0259604), wk = 0.0019493 k( 82) = ( 0.0000000 0.0000000 1.0387849), wk = 0.0019493 k( 83) = ( 0.0000000 0.0000000 1.0387849), wk = 0.0019493 k( 84) = ( -0.0057989 0.0105601 1.0387849), wk = 0.0019493 k( 85) = ( -0.0115977 0.0211203 1.0387849), wk = 0.0019493 k( 86) = ( -0.0173966 0.0316804 1.0387849), wk = 0.0019493 k( 87) = ( -0.0231955 0.0422406 1.0387849), wk = 0.0019493 k( 88) = ( -0.0289943 0.0528007 1.0387849), wk = 0.0019493 k( 89) = ( -0.0347932 0.0633609 1.0387849), wk = 0.0019493 k( 90) = ( -0.0405921 0.0739210 1.0387849), wk = 0.0019493 k( 91) = ( -0.0463910 0.0844812 1.0387849), wk = 0.0019493 k( 92) = ( -0.0521898 0.0950413 1.0387849), wk = 0.0019493 k( 93) = ( -0.0579887 0.1056015 1.0387849), wk = 0.0019493 k( 94) = ( -0.0637876 0.1161616 1.0387849), wk = 0.0019493 k( 95) = ( -0.0695864 0.1267218 1.0387849), wk = 0.0019493 k( 96) = ( -0.0753853 0.1372819 1.0387849), wk = 0.0019493 k( 97) = ( -0.0753853 0.1372819 1.0387849), wk = 0.0019493 k( 98) = ( -0.0797181 0.1451723 1.0297832), wk = 0.0019493 k( 99) = ( -0.0840509 0.1530626 1.0207815), wk = 0.0019493 k( 100) = ( -0.0883837 0.1609529 1.0117798), wk = 0.0019493 k( 101) = ( -0.0927165 0.1688433 1.0027781), wk = 0.0019493 k( 102) = ( -0.0970493 0.1767336 0.9937764), wk = 0.0019493 k( 103) = ( -0.1013821 0.1846239 0.9847747), wk = 0.0019493 k( 104) = ( -0.1057149 0.1925143 0.9757730), wk = 0.0019493 k( 105) = ( -0.1100477 0.2004046 0.9667713), wk = 0.0019493 k( 106) = ( -0.1143805 0.2082950 0.9577696), wk = 0.0019493 k( 107) = ( -0.1187133 0.2161853 0.9487679), wk = 0.0019493 k( 108) = ( -0.1230461 0.2240756 0.9397662), wk = 0.0019493 k( 109) = ( -0.1273789 0.2319660 0.9307645), wk = 0.0019493 k( 110) = ( -0.1317117 0.2398563 0.9217628), wk = 0.0019493 k( 111) = ( -0.1360445 0.2477467 0.9127611), wk = 0.0019493 k( 112) = ( -0.1403773 0.2556370 0.9037594), wk = 0.0019493 k( 113) = ( -0.1447101 0.2635273 0.8947577), wk = 0.0019493 k( 114) = ( -0.1490430 0.2714177 0.8857560), wk = 0.0019493 k( 115) = ( -0.1533758 0.2793080 0.8767543), wk = 0.0019493 k( 116) = ( -0.1577086 0.2871983 0.8677526), wk = 0.0019493 k( 117) = ( -0.1620414 0.2950887 0.8587509), wk = 0.0019493 k( 118) = ( -0.1663742 0.3029790 0.8497492), wk = 0.0019493 k( 119) = ( -0.1707070 0.3108694 0.8407475), wk = 0.0019493 k( 120) = ( -0.1750398 0.3187597 0.8317458), wk = 0.0019493 k( 121) = ( -0.1793726 0.3266500 0.8227441), wk = 0.0019493 k( 122) = ( -0.1837054 0.3345404 0.8137424), wk = 0.0019493 k( 123) = ( -0.1880382 0.3424307 0.8047407), wk = 0.0019493 k( 124) = ( -0.1923710 0.3503211 0.7957390), wk = 0.0019493 k( 125) = ( -0.1967038 0.3582114 0.7867373), wk = 0.0019493 k( 126) = ( -0.2010366 0.3661017 0.7777356), wk = 0.0019493 k( 127) = ( -0.2053694 0.3739921 0.7687339), wk = 0.0019493 k( 128) = ( -0.2097022 0.3818824 0.7597322), wk = 0.0019493 k( 129) = ( -0.2140350 0.3897727 0.7507305), wk = 0.0019493 k( 130) = ( -0.2183678 0.3976631 0.7417288), wk = 0.0019493 k( 131) = ( -0.2227006 0.4055534 0.7327271), wk = 0.0019493 k( 132) = ( -0.2270334 0.4134438 0.7237254), wk = 0.0019493 k( 133) = ( -0.2313662 0.4213341 0.7147237), wk = 0.0019493 k( 134) = ( -0.2356990 0.4292244 0.7057220), wk = 0.0019493 k( 135) = ( -0.2400318 0.4371148 0.6967203), wk = 0.0019493 k( 136) = ( -0.2443646 0.4450051 0.6877186), wk = 0.0019493 k( 137) = ( -0.2486974 0.4528955 0.6787169), wk = 0.0019493 k( 138) = ( -0.2530302 0.4607858 0.6697152), wk = 0.0019493 k( 139) = ( -0.2573630 0.4686761 0.6607135), wk = 0.0019493 k( 140) = ( -0.2616958 0.4765665 0.6517118), wk = 0.0019493 k( 141) = ( -0.2660286 0.4844568 0.6427101), wk = 0.0019493 k( 142) = ( -0.2703614 0.4923471 0.6337084), wk = 0.0019493 k( 143) = ( -0.2746942 0.5002375 0.6247067), wk = 0.0019493 k( 144) = ( -0.2790270 0.5081278 0.6157050), wk = 0.0019493 k( 145) = ( -0.2833598 0.5160182 0.6067033), wk = 0.0019493 k( 146) = ( -0.2876926 0.5239085 0.5977016), wk = 0.0019493 k( 147) = ( -0.2876926 0.5239085 0.5977016), wk = 0.0019493 k( 148) = ( -0.2833337 0.5159705 0.5886455), wk = 0.0019493 k( 149) = ( -0.2789747 0.5080325 0.5795894), wk = 0.0019493 k( 150) = ( -0.2746157 0.5000945 0.5705333), wk = 0.0019493 k( 151) = ( -0.2702567 0.4921565 0.5614772), wk = 0.0019493 k( 152) = ( -0.2658977 0.4842185 0.5524212), wk = 0.0019493 k( 153) = ( -0.2615388 0.4762805 0.5433651), wk = 0.0019493 k( 154) = ( -0.2571798 0.4683424 0.5343090), wk = 0.0019493 k( 155) = ( -0.2528208 0.4604044 0.5252529), wk = 0.0019493 k( 156) = ( -0.2484618 0.4524664 0.5161968), wk = 0.0019493 k( 157) = ( -0.2441029 0.4445284 0.5071407), wk = 0.0019493 k( 158) = ( -0.2397439 0.4365904 0.4980846), wk = 0.0019493 k( 159) = ( -0.2353849 0.4286524 0.4890286), wk = 0.0019493 k( 160) = ( -0.2310259 0.4207144 0.4799725), wk = 0.0019493 k( 161) = ( -0.2266669 0.4127764 0.4709164), wk = 0.0019493 k( 162) = ( -0.2223080 0.4048384 0.4618603), wk = 0.0019493 k( 163) = ( -0.2179490 0.3969004 0.4528042), wk = 0.0019493 k( 164) = ( -0.2135900 0.3889624 0.4437482), wk = 0.0019493 k( 165) = ( -0.2092310 0.3810244 0.4346921), wk = 0.0019493 k( 166) = ( -0.2048720 0.3730864 0.4256360), wk = 0.0019493 k( 167) = ( -0.2005131 0.3651484 0.4165799), wk = 0.0019493 k( 168) = ( -0.1961541 0.3572103 0.4075238), wk = 0.0019493 k( 169) = ( -0.1917951 0.3492723 0.3984677), wk = 0.0019493 k( 170) = ( -0.1874361 0.3413343 0.3894116), wk = 0.0019493 k( 171) = ( -0.1830771 0.3333963 0.3803556), wk = 0.0019493 k( 172) = ( -0.1787182 0.3254583 0.3712995), wk = 0.0019493 k( 173) = ( -0.1743592 0.3175203 0.3622434), wk = 0.0019493 k( 174) = ( -0.1700002 0.3095823 0.3531873), wk = 0.0019493 k( 175) = ( -0.1656412 0.3016443 0.3441312), wk = 0.0019493 k( 176) = ( -0.1612822 0.2937063 0.3350751), wk = 0.0019493 k( 177) = ( -0.1569233 0.2857683 0.3260190), wk = 0.0019493 k( 178) = ( -0.1525643 0.2778303 0.3169630), wk = 0.0019493 k( 179) = ( -0.1482053 0.2698923 0.3079069), wk = 0.0019493 k( 180) = ( -0.1438463 0.2619542 0.2988508), wk = 0.0019493 k( 181) = ( -0.1394873 0.2540162 0.2897947), wk = 0.0019493 k( 182) = ( -0.1351284 0.2460782 0.2807386), wk = 0.0019493 k( 183) = ( -0.1307694 0.2381402 0.2716825), wk = 0.0019493 k( 184) = ( -0.1264104 0.2302022 0.2626265), wk = 0.0019493 k( 185) = ( -0.1220514 0.2222642 0.2535704), wk = 0.0019493 k( 186) = ( -0.1176925 0.2143262 0.2445143), wk = 0.0019493 k( 187) = ( -0.1133335 0.2063882 0.2354582), wk = 0.0019493 k( 188) = ( -0.1089745 0.1984502 0.2264021), wk = 0.0019493 k( 189) = ( -0.1046155 0.1905122 0.2173460), wk = 0.0019493 k( 190) = ( -0.1002565 0.1825742 0.2082899), wk = 0.0019493 k( 191) = ( -0.0958975 0.1746362 0.1992339), wk = 0.0019493 k( 192) = ( -0.0915386 0.1666982 0.1901778), wk = 0.0019493 k( 193) = ( -0.0871796 0.1587602 0.1811217), wk = 0.0019493 k( 194) = ( -0.0828206 0.1508221 0.1720656), wk = 0.0019493 k( 195) = ( -0.0784616 0.1428841 0.1630095), wk = 0.0019493 k( 196) = ( -0.0741027 0.1349461 0.1539534), wk = 0.0019493 k( 197) = ( -0.0697437 0.1270081 0.1448973), wk = 0.0019493 k( 198) = ( -0.0653847 0.1190701 0.1358413), wk = 0.0019493 k( 199) = ( -0.0610257 0.1111321 0.1267852), wk = 0.0019493 k( 200) = ( -0.0566667 0.1031941 0.1177291), wk = 0.0019493 k( 201) = ( -0.0523078 0.0952561 0.1086730), wk = 0.0019493 k( 202) = ( -0.0479488 0.0873181 0.0996169), wk = 0.0019493 k( 203) = ( -0.0435898 0.0793801 0.0905609), wk = 0.0019493 k( 204) = ( -0.0392308 0.0714421 0.0815048), wk = 0.0019493 k( 205) = ( -0.0348718 0.0635041 0.0724487), wk = 0.0019493 k( 206) = ( -0.0305129 0.0555661 0.0633926), wk = 0.0019493 k( 207) = ( -0.0261539 0.0476281 0.0543365), wk = 0.0019493 k( 208) = ( -0.0217949 0.0396900 0.0452804), wk = 0.0019493 k( 209) = ( -0.0174359 0.0317520 0.0362243), wk = 0.0019493 k( 210) = ( -0.0130769 0.0238140 0.0271683), wk = 0.0019493 k( 211) = ( -0.0087180 0.0158760 0.0181122), wk = 0.0019493 k( 212) = ( -0.0043590 0.0079380 0.0090561), wk = 0.0019493 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019493 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019493 k( 215) = ( 0.0111111 0.0061014 0.0000000), wk = 0.0019493 k( 216) = ( 0.0222222 0.0122028 0.0000000), wk = 0.0019493 k( 217) = ( 0.0333333 0.0183043 0.0000000), wk = 0.0019493 k( 218) = ( 0.0444444 0.0244057 0.0000000), wk = 0.0019493 k( 219) = ( 0.0555556 0.0305071 0.0000000), wk = 0.0019493 k( 220) = ( 0.0666667 0.0366085 0.0000000), wk = 0.0019493 k( 221) = ( 0.0777778 0.0427099 0.0000000), wk = 0.0019493 k( 222) = ( 0.0888889 0.0488113 0.0000000), wk = 0.0019493 k( 223) = ( 0.1000000 0.0549128 0.0000000), wk = 0.0019493 k( 224) = ( 0.1111111 0.0610142 0.0000000), wk = 0.0019493 k( 225) = ( 0.1222222 0.0671156 0.0000000), wk = 0.0019493 k( 226) = ( 0.1333333 0.0732170 0.0000000), wk = 0.0019493 k( 227) = ( 0.1444444 0.0793184 0.0000000), wk = 0.0019493 k( 228) = ( 0.1555556 0.0854199 0.0000000), wk = 0.0019493 k( 229) = ( 0.1666667 0.0915213 0.0000000), wk = 0.0019493 k( 230) = ( 0.1777778 0.0976227 0.0000000), wk = 0.0019493 k( 231) = ( 0.1888889 0.1037241 0.0000000), wk = 0.0019493 k( 232) = ( 0.2000000 0.1098255 0.0000000), wk = 0.0019493 k( 233) = ( 0.2111111 0.1159269 0.0000000), wk = 0.0019493 k( 234) = ( 0.2222222 0.1220284 0.0000000), wk = 0.0019493 k( 235) = ( 0.2333333 0.1281298 0.0000000), wk = 0.0019493 k( 236) = ( 0.2444444 0.1342312 0.0000000), wk = 0.0019493 k( 237) = ( 0.2555556 0.1403326 0.0000000), wk = 0.0019493 k( 238) = ( 0.2666667 0.1464340 0.0000000), wk = 0.0019493 k( 239) = ( 0.2777778 0.1525355 0.0000000), wk = 0.0019493 k( 240) = ( 0.2888889 0.1586369 0.0000000), wk = 0.0019493 k( 241) = ( 0.3000000 0.1647383 0.0000000), wk = 0.0019493 k( 242) = ( 0.3111111 0.1708397 0.0000000), wk = 0.0019493 k( 243) = ( 0.3222222 0.1769411 0.0000000), wk = 0.0019493 k( 244) = ( 0.3333333 0.1830425 0.0000000), wk = 0.0019493 k( 245) = ( 0.3444444 0.1891440 0.0000000), wk = 0.0019493 k( 246) = ( 0.3555556 0.1952454 0.0000000), wk = 0.0019493 k( 247) = ( 0.3666667 0.2013468 0.0000000), wk = 0.0019493 k( 248) = ( 0.3777778 0.2074482 0.0000000), wk = 0.0019493 k( 249) = ( 0.3888889 0.2135496 0.0000000), wk = 0.0019493 k( 250) = ( 0.4000000 0.2196511 0.0000000), wk = 0.0019493 k( 251) = ( 0.4111111 0.2257525 0.0000000), wk = 0.0019493 k( 252) = ( 0.4222222 0.2318539 0.0000000), wk = 0.0019493 k( 253) = ( 0.4333333 0.2379553 0.0000000), wk = 0.0019493 k( 254) = ( 0.4444444 0.2440567 0.0000000), wk = 0.0019493 k( 255) = ( 0.4555556 0.2501582 0.0000000), wk = 0.0019493 k( 256) = ( 0.4666667 0.2562596 0.0000000), wk = 0.0019493 k( 257) = ( 0.4777778 0.2623610 0.0000000), wk = 0.0019493 k( 258) = ( 0.4888889 0.2684624 0.0000000), wk = 0.0019493 k( 259) = ( 0.5000000 0.2745638 0.0000000), wk = 0.0019493 k( 260) = ( 0.5000000 0.2745638 0.0000000), wk = 0.0019493 k( 261) = ( 0.4956672 0.2824542 0.0090017), wk = 0.0019493 k( 262) = ( 0.4913344 0.2903445 0.0180034), wk = 0.0019493 k( 263) = ( 0.4870016 0.2982348 0.0270051), wk = 0.0019493 k( 264) = ( 0.4826688 0.3061252 0.0360068), wk = 0.0019493 k( 265) = ( 0.4783360 0.3140155 0.0450085), wk = 0.0019493 k( 266) = ( 0.4740032 0.3219059 0.0540102), wk = 0.0019493 k( 267) = ( 0.4696704 0.3297962 0.0630119), wk = 0.0019493 k( 268) = ( 0.4653376 0.3376865 0.0720136), wk = 0.0019493 k( 269) = ( 0.4610048 0.3455769 0.0810153), wk = 0.0019493 k( 270) = ( 0.4566720 0.3534672 0.0900170), wk = 0.0019493 k( 271) = ( 0.4523392 0.3613575 0.0990187), wk = 0.0019493 k( 272) = ( 0.4480064 0.3692479 0.1080204), wk = 0.0019493 k( 273) = ( 0.4436736 0.3771382 0.1170221), wk = 0.0019493 k( 274) = ( 0.4393408 0.3850286 0.1260238), wk = 0.0019493 k( 275) = ( 0.4350079 0.3929189 0.1350255), wk = 0.0019493 k( 276) = ( 0.4306752 0.4008092 0.1440272), wk = 0.0019493 k( 277) = ( 0.4263423 0.4086996 0.1530289), wk = 0.0019493 k( 278) = ( 0.4220095 0.4165899 0.1620306), wk = 0.0019493 k( 279) = ( 0.4176767 0.4244803 0.1710323), wk = 0.0019493 k( 280) = ( 0.4133439 0.4323706 0.1800340), wk = 0.0019493 k( 281) = ( 0.4090111 0.4402609 0.1890357), wk = 0.0019493 k( 282) = ( 0.4046783 0.4481513 0.1980374), wk = 0.0019493 k( 283) = ( 0.4003455 0.4560416 0.2070391), wk = 0.0019493 k( 284) = ( 0.3960127 0.4639319 0.2160408), wk = 0.0019493 k( 285) = ( 0.3916799 0.4718223 0.2250425), wk = 0.0019493 k( 286) = ( 0.3873471 0.4797126 0.2340442), wk = 0.0019493 k( 287) = ( 0.3830143 0.4876030 0.2430459), wk = 0.0019493 k( 288) = ( 0.3786815 0.4954933 0.2520476), wk = 0.0019493 k( 289) = ( 0.3743487 0.5033836 0.2610493), wk = 0.0019493 k( 290) = ( 0.3700159 0.5112740 0.2700510), wk = 0.0019493 k( 291) = ( 0.3656831 0.5191643 0.2790527), wk = 0.0019493 k( 292) = ( 0.3613503 0.5270547 0.2880544), wk = 0.0019493 k( 293) = ( 0.3570175 0.5349450 0.2970561), wk = 0.0019493 k( 294) = ( 0.3526847 0.5428353 0.3060579), wk = 0.0019493 k( 295) = ( 0.3483519 0.5507257 0.3150595), wk = 0.0019493 k( 296) = ( 0.3440191 0.5586160 0.3240612), wk = 0.0019493 k( 297) = ( 0.3396863 0.5665064 0.3330630), wk = 0.0019493 k( 298) = ( 0.3353535 0.5743967 0.3420647), wk = 0.0019493 k( 299) = ( 0.3310207 0.5822870 0.3510663), wk = 0.0019493 k( 300) = ( 0.3266879 0.5901774 0.3600680), wk = 0.0019493 k( 301) = ( 0.3223551 0.5980677 0.3690698), wk = 0.0019493 k( 302) = ( 0.3180223 0.6059580 0.3780715), wk = 0.0019493 k( 303) = ( 0.3136895 0.6138484 0.3870731), wk = 0.0019493 k( 304) = ( 0.3093567 0.6217387 0.3960749), wk = 0.0019493 k( 305) = ( 0.3050239 0.6296291 0.4050766), wk = 0.0019493 k( 306) = ( 0.3006911 0.6375194 0.4140783), wk = 0.0019493 k( 307) = ( 0.2963582 0.6454097 0.4230800), wk = 0.0019493 k( 308) = ( 0.2920255 0.6533001 0.4320817), wk = 0.0019493 k( 309) = ( 0.2876926 0.6611904 0.4410834), wk = 0.0019493 k( 310) = ( 0.2876926 0.6611904 0.4410834), wk = 0.0019493 k( 311) = ( 0.2757055 0.6583304 0.4443462), wk = 0.0019493 k( 312) = ( 0.2637183 0.6554703 0.4476091), wk = 0.0019493 k( 313) = ( 0.2517311 0.6526103 0.4508720), wk = 0.0019493 k( 314) = ( 0.2397439 0.6497503 0.4541349), wk = 0.0019493 k( 315) = ( 0.2277567 0.6468902 0.4573978), wk = 0.0019493 k( 316) = ( 0.2157695 0.6440302 0.4606606), wk = 0.0019493 k( 317) = ( 0.2037823 0.6411701 0.4639235), wk = 0.0019493 k( 318) = ( 0.1917951 0.6383101 0.4671864), wk = 0.0019493 k( 319) = ( 0.1798079 0.6354501 0.4704493), wk = 0.0019493 k( 320) = ( 0.1678207 0.6325900 0.4737122), wk = 0.0019493 k( 321) = ( 0.1558335 0.6297300 0.4769750), wk = 0.0019493 k( 322) = ( 0.1438463 0.6268699 0.4802379), wk = 0.0019493 k( 323) = ( 0.1318591 0.6240099 0.4835008), wk = 0.0019493 k( 324) = ( 0.1198719 0.6211499 0.4867637), wk = 0.0019493 k( 325) = ( 0.1078847 0.6182898 0.4900266), wk = 0.0019493 k( 326) = ( 0.0958975 0.6154298 0.4932894), wk = 0.0019493 k( 327) = ( 0.0839104 0.6125697 0.4965523), wk = 0.0019493 k( 328) = ( 0.0719232 0.6097097 0.4998152), wk = 0.0019493 k( 329) = ( 0.0599360 0.6068497 0.5030781), wk = 0.0019493 k( 330) = ( 0.0479488 0.6039896 0.5063410), wk = 0.0019493 k( 331) = ( 0.0359616 0.6011296 0.5096038), wk = 0.0019493 k( 332) = ( 0.0239744 0.5982695 0.5128667), wk = 0.0019493 k( 333) = ( 0.0119872 0.5954095 0.5161296), wk = 0.0019493 k( 334) = ( 0.0000000 0.5925495 0.5193925), wk = 0.0019493 k( 335) = ( 0.0000000 0.5925495 0.5193925), wk = 0.0019493 k( 336) = ( 0.0043860 0.5845623 0.5285046), wk = 0.0019493 k( 337) = ( 0.0087719 0.5765752 0.5376168), wk = 0.0019493 k( 338) = ( 0.0131579 0.5685880 0.5467289), wk = 0.0019493 k( 339) = ( 0.0175439 0.5606009 0.5558411), wk = 0.0019493 k( 340) = ( 0.0219298 0.5526137 0.5649532), wk = 0.0019493 k( 341) = ( 0.0263158 0.5446266 0.5740654), wk = 0.0019493 k( 342) = ( 0.0307017 0.5366394 0.5831775), wk = 0.0019493 k( 343) = ( 0.0350877 0.5286523 0.5922897), wk = 0.0019493 k( 344) = ( 0.0394737 0.5206651 0.6014018), wk = 0.0019493 k( 345) = ( 0.0438597 0.5126780 0.6105140), wk = 0.0019493 k( 346) = ( 0.0482456 0.5046908 0.6196261), wk = 0.0019493 k( 347) = ( 0.0526316 0.4967037 0.6287383), wk = 0.0019493 k( 348) = ( 0.0570175 0.4887165 0.6378504), wk = 0.0019493 k( 349) = ( 0.0614035 0.4807294 0.6469626), wk = 0.0019493 k( 350) = ( 0.0657895 0.4727422 0.6560747), wk = 0.0019493 k( 351) = ( 0.0701754 0.4647551 0.6651869), wk = 0.0019493 k( 352) = ( 0.0745614 0.4567679 0.6742990), wk = 0.0019493 k( 353) = ( 0.0789474 0.4487808 0.6834112), wk = 0.0019493 k( 354) = ( 0.0833333 0.4407936 0.6925233), wk = 0.0019493 k( 355) = ( 0.0877193 0.4328065 0.7016354), wk = 0.0019493 k( 356) = ( 0.0921053 0.4248193 0.7107476), wk = 0.0019493 k( 357) = ( 0.0964912 0.4168322 0.7198597), wk = 0.0019493 k( 358) = ( 0.1008772 0.4088450 0.7289719), wk = 0.0019493 k( 359) = ( 0.1052632 0.4008579 0.7380840), wk = 0.0019493 k( 360) = ( 0.1096491 0.3928707 0.7471962), wk = 0.0019493 k( 361) = ( 0.1140351 0.3848836 0.7563083), wk = 0.0019493 k( 362) = ( 0.1184210 0.3768964 0.7654205), wk = 0.0019493 k( 363) = ( 0.1228070 0.3689093 0.7745326), wk = 0.0019493 k( 364) = ( 0.1271930 0.3609221 0.7836448), wk = 0.0019493 k( 365) = ( 0.1315790 0.3529350 0.7927569), wk = 0.0019493 k( 366) = ( 0.1359649 0.3449478 0.8018691), wk = 0.0019493 k( 367) = ( 0.1403509 0.3369607 0.8109812), wk = 0.0019493 k( 368) = ( 0.1447368 0.3289735 0.8200934), wk = 0.0019493 k( 369) = ( 0.1491228 0.3209864 0.8292055), wk = 0.0019493 k( 370) = ( 0.1535088 0.3129992 0.8383177), wk = 0.0019493 k( 371) = ( 0.1578947 0.3050121 0.8474298), wk = 0.0019493 k( 372) = ( 0.1622807 0.2970249 0.8565420), wk = 0.0019493 k( 373) = ( 0.1666667 0.2890378 0.8656541), wk = 0.0019493 k( 374) = ( 0.1710526 0.2810506 0.8747663), wk = 0.0019493 k( 375) = ( 0.1754386 0.2730635 0.8838784), wk = 0.0019493 k( 376) = ( 0.1798246 0.2650763 0.8929906), wk = 0.0019493 k( 377) = ( 0.1842105 0.2570892 0.9021027), wk = 0.0019493 k( 378) = ( 0.1885965 0.2491020 0.9112149), wk = 0.0019493 k( 379) = ( 0.1929825 0.2411149 0.9203270), wk = 0.0019493 k( 380) = ( 0.1973684 0.2331277 0.9294392), wk = 0.0019493 k( 381) = ( 0.2017544 0.2251406 0.9385513), wk = 0.0019493 k( 382) = ( 0.2061403 0.2171534 0.9476635), wk = 0.0019493 k( 383) = ( 0.2105263 0.2091663 0.9567756), wk = 0.0019493 k( 384) = ( 0.2149123 0.2011791 0.9658878), wk = 0.0019493 k( 385) = ( 0.2192983 0.1931920 0.9749999), wk = 0.0019493 k( 386) = ( 0.2236842 0.1852048 0.9841121), wk = 0.0019493 k( 387) = ( 0.2280702 0.1772177 0.9932242), wk = 0.0019493 k( 388) = ( 0.2324561 0.1692305 1.0023363), wk = 0.0019493 k( 389) = ( 0.2368421 0.1612434 1.0114485), wk = 0.0019493 k( 390) = ( 0.2412281 0.1532562 1.0205606), wk = 0.0019493 k( 391) = ( 0.2456140 0.1452691 1.0296728), wk = 0.0019493 k( 392) = ( 0.2500000 0.1372819 1.0387849), wk = 0.0019493 k( 393) = ( 0.2500000 0.1372819 1.0387849), wk = 0.0019493 k( 394) = ( 0.2596154 0.1425620 1.0327612), wk = 0.0019493 k( 395) = ( 0.2692308 0.1478421 1.0267374), wk = 0.0019493 k( 396) = ( 0.2788462 0.1531221 1.0207136), wk = 0.0019493 k( 397) = ( 0.2884615 0.1584022 1.0146898), wk = 0.0019493 k( 398) = ( 0.2980769 0.1636823 1.0086660), wk = 0.0019493 k( 399) = ( 0.3076923 0.1689624 1.0026423), wk = 0.0019493 k( 400) = ( 0.3173077 0.1742424 0.9966185), wk = 0.0019493 k( 401) = ( 0.3269231 0.1795225 0.9905947), wk = 0.0019493 k( 402) = ( 0.3365385 0.1848026 0.9845709), wk = 0.0019493 k( 403) = ( 0.3461538 0.1900827 0.9785472), wk = 0.0019493 k( 404) = ( 0.3557692 0.1953627 0.9725234), wk = 0.0019493 k( 405) = ( 0.3653846 0.2006428 0.9664996), wk = 0.0019493 k( 406) = ( 0.3750000 0.2059229 0.9604758), wk = 0.0019493 k( 407) = ( 0.3846154 0.2112029 0.9544520), wk = 0.0019493 k( 408) = ( 0.3942308 0.2164830 0.9484283), wk = 0.0019493 k( 409) = ( 0.4038462 0.2217631 0.9424045), wk = 0.0019493 k( 410) = ( 0.4134615 0.2270432 0.9363807), wk = 0.0019493 k( 411) = ( 0.4230769 0.2323232 0.9303569), wk = 0.0019493 k( 412) = ( 0.4326923 0.2376033 0.9243332), wk = 0.0019493 k( 413) = ( 0.4423077 0.2428834 0.9183094), wk = 0.0019493 k( 414) = ( 0.4519231 0.2481635 0.9122856), wk = 0.0019493 k( 415) = ( 0.4615385 0.2534435 0.9062618), wk = 0.0019493 k( 416) = ( 0.4711538 0.2587236 0.9002381), wk = 0.0019493 k( 417) = ( 0.4807692 0.2640037 0.8942143), wk = 0.0019493 k( 418) = ( 0.4903846 0.2692838 0.8881905), wk = 0.0019493 k( 419) = ( 0.5000000 0.2745638 0.8821667), wk = 0.0019493 k( 420) = ( 0.5000000 0.2745638 0.8821667), wk = 0.0019493 k( 421) = ( 0.5000000 0.2745638 0.8693817), wk = 0.0019493 k( 422) = ( 0.5000000 0.2745638 0.8565967), wk = 0.0019493 k( 423) = ( 0.5000000 0.2745638 0.8438117), wk = 0.0019493 k( 424) = ( 0.5000000 0.2745638 0.8310266), wk = 0.0019493 k( 425) = ( 0.5000000 0.2745638 0.8182416), wk = 0.0019493 k( 426) = ( 0.5000000 0.2745638 0.8054566), wk = 0.0019493 k( 427) = ( 0.5000000 0.2745638 0.7926715), wk = 0.0019493 k( 428) = ( 0.5000000 0.2745638 0.7798865), wk = 0.0019493 k( 429) = ( 0.5000000 0.2745638 0.7671015), wk = 0.0019493 k( 430) = ( 0.5000000 0.2745638 0.7543165), wk = 0.0019493 k( 431) = ( 0.5000000 0.2745638 0.7415315), wk = 0.0019493 k( 432) = ( 0.5000000 0.2745638 0.7287464), wk = 0.0019493 k( 433) = ( 0.5000000 0.2745638 0.7159614), wk = 0.0019493 k( 434) = ( 0.5000000 0.2745638 0.7031764), wk = 0.0019493 k( 435) = ( 0.5000000 0.2745638 0.6903913), wk = 0.0019493 k( 436) = ( 0.5000000 0.2745638 0.6776063), wk = 0.0019493 k( 437) = ( 0.5000000 0.2745638 0.6648213), wk = 0.0019493 k( 438) = ( 0.5000000 0.2745638 0.6520363), wk = 0.0019493 k( 439) = ( 0.5000000 0.2745638 0.6392513), wk = 0.0019493 k( 440) = ( 0.5000000 0.2745638 0.6264662), wk = 0.0019493 k( 441) = ( 0.5000000 0.2745638 0.6136812), wk = 0.0019493 k( 442) = ( 0.5000000 0.2745638 0.6008962), wk = 0.0019493 k( 443) = ( 0.5000000 0.2745638 0.5881112), wk = 0.0019493 k( 444) = ( 0.5000000 0.2745638 0.5753261), wk = 0.0019493 k( 445) = ( 0.5000000 0.2745638 0.5625411), wk = 0.0019493 k( 446) = ( 0.5000000 0.2745638 0.5497561), wk = 0.0019493 k( 447) = ( 0.5000000 0.2745638 0.5369710), wk = 0.0019493 k( 448) = ( 0.5000000 0.2745638 0.5241860), wk = 0.0019493 k( 449) = ( 0.5000000 0.2745638 0.5114010), wk = 0.0019493 k( 450) = ( 0.5000000 0.2745638 0.4986160), wk = 0.0019493 k( 451) = ( 0.5000000 0.2745638 0.4858310), wk = 0.0019493 k( 452) = ( 0.5000000 0.2745638 0.4730459), wk = 0.0019493 k( 453) = ( 0.5000000 0.2745638 0.4602609), wk = 0.0019493 k( 454) = ( 0.5000000 0.2745638 0.4474759), wk = 0.0019493 k( 455) = ( 0.5000000 0.2745638 0.4346908), wk = 0.0019493 k( 456) = ( 0.5000000 0.2745638 0.4219058), wk = 0.0019493 k( 457) = ( 0.5000000 0.2745638 0.4091208), wk = 0.0019493 k( 458) = ( 0.5000000 0.2745638 0.3963358), wk = 0.0019493 k( 459) = ( 0.5000000 0.2745638 0.3835508), wk = 0.0019493 k( 460) = ( 0.5000000 0.2745638 0.3707657), wk = 0.0019493 k( 461) = ( 0.5000000 0.2745638 0.3579807), wk = 0.0019493 k( 462) = ( 0.5000000 0.2745638 0.3451957), wk = 0.0019493 k( 463) = ( 0.5000000 0.2745638 0.3324106), wk = 0.0019493 k( 464) = ( 0.5000000 0.2745638 0.3196256), wk = 0.0019493 k( 465) = ( 0.5000000 0.2745638 0.3068406), wk = 0.0019493 k( 466) = ( 0.5000000 0.2745638 0.2940556), wk = 0.0019493 k( 467) = ( 0.5000000 0.2745638 0.2812706), wk = 0.0019493 k( 468) = ( 0.5000000 0.2745638 0.2684855), wk = 0.0019493 k( 469) = ( 0.5000000 0.2745638 0.2557005), wk = 0.0019493 k( 470) = ( 0.5000000 0.2745638 0.2429155), wk = 0.0019493 k( 471) = ( 0.5000000 0.2745638 0.2301304), wk = 0.0019493 k( 472) = ( 0.5000000 0.2745638 0.2173454), wk = 0.0019493 k( 473) = ( 0.5000000 0.2745638 0.2045604), wk = 0.0019493 k( 474) = ( 0.5000000 0.2745638 0.1917754), wk = 0.0019493 k( 475) = ( 0.5000000 0.2745638 0.1789904), wk = 0.0019493 k( 476) = ( 0.5000000 0.2745638 0.1662053), wk = 0.0019493 k( 477) = ( 0.5000000 0.2745638 0.1534203), wk = 0.0019493 k( 478) = ( 0.5000000 0.2745638 0.1406353), wk = 0.0019493 k( 479) = ( 0.5000000 0.2745638 0.1278502), wk = 0.0019493 k( 480) = ( 0.5000000 0.2745638 0.1150652), wk = 0.0019493 k( 481) = ( 0.5000000 0.2745638 0.1022802), wk = 0.0019493 k( 482) = ( 0.5000000 0.2745638 0.0894952), wk = 0.0019493 k( 483) = ( 0.5000000 0.2745638 0.0767102), wk = 0.0019493 k( 484) = ( 0.5000000 0.2745638 0.0639251), wk = 0.0019493 k( 485) = ( 0.5000000 0.2745638 0.0511401), wk = 0.0019493 k( 486) = ( 0.5000000 0.2745638 0.0383551), wk = 0.0019493 k( 487) = ( 0.5000000 0.2745638 0.0255700), wk = 0.0019493 k( 488) = ( 0.5000000 0.2745638 0.0127850), wk = 0.0019493 k( 489) = ( 0.5000000 0.2745638 0.0000000), wk = 0.0019493 k( 490) = ( 0.0000000 0.0000000 1.0387849), wk = 0.0019493 k( 491) = ( 0.0108696 0.0059688 1.0387849), wk = 0.0019493 k( 492) = ( 0.0217391 0.0119376 1.0387849), wk = 0.0019493 k( 493) = ( 0.0326087 0.0179063 1.0387849), wk = 0.0019493 k( 494) = ( 0.0434783 0.0238751 1.0387849), wk = 0.0019493 k( 495) = ( 0.0543478 0.0298439 1.0387849), wk = 0.0019493 k( 496) = ( 0.0652174 0.0358127 1.0387849), wk = 0.0019493 k( 497) = ( 0.0760870 0.0417815 1.0387849), wk = 0.0019493 k( 498) = ( 0.0869565 0.0477502 1.0387849), wk = 0.0019493 k( 499) = ( 0.0978261 0.0537190 1.0387849), wk = 0.0019493 k( 500) = ( 0.1086957 0.0596878 1.0387849), wk = 0.0019493 k( 501) = ( 0.1195652 0.0656566 1.0387849), wk = 0.0019493 k( 502) = ( 0.1304348 0.0716253 1.0387849), wk = 0.0019493 k( 503) = ( 0.1413043 0.0775941 1.0387849), wk = 0.0019493 k( 504) = ( 0.1521739 0.0835629 1.0387849), wk = 0.0019493 k( 505) = ( 0.1630435 0.0895317 1.0387849), wk = 0.0019493 k( 506) = ( 0.1739130 0.0955005 1.0387849), wk = 0.0019493 k( 507) = ( 0.1847826 0.1014692 1.0387849), wk = 0.0019493 k( 508) = ( 0.1956522 0.1074380 1.0387849), wk = 0.0019493 k( 509) = ( 0.2065217 0.1134068 1.0387849), wk = 0.0019493 k( 510) = ( 0.2173913 0.1193756 1.0387849), wk = 0.0019493 k( 511) = ( 0.2282609 0.1253444 1.0387849), wk = 0.0019493 k( 512) = ( 0.2391304 0.1313131 1.0387849), wk = 0.0019493 k( 513) = ( 0.2500000 0.1372819 1.0387849), wk = 0.0019493 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019493 k( 2) = ( 0.0000000 0.0000000 0.0061728), wk = 0.0019493 k( 3) = ( 0.0000000 0.0000000 0.0123457), wk = 0.0019493 k( 4) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0019493 k( 5) = ( 0.0000000 0.0000000 0.0246914), wk = 0.0019493 k( 6) = ( 0.0000000 0.0000000 0.0308642), wk = 0.0019493 k( 7) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0019493 k( 8) = ( 0.0000000 0.0000000 0.0432099), wk = 0.0019493 k( 9) = ( 0.0000000 0.0000000 0.0493827), wk = 0.0019493 k( 10) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0019493 k( 11) = ( 0.0000000 0.0000000 0.0617284), wk = 0.0019493 k( 12) = ( 0.0000000 0.0000000 0.0679012), wk = 0.0019493 k( 13) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0019493 k( 14) = ( 0.0000000 0.0000000 0.0802469), wk = 0.0019493 k( 15) = ( 0.0000000 0.0000000 0.0864198), wk = 0.0019493 k( 16) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0019493 k( 17) = ( 0.0000000 0.0000000 0.0987654), wk = 0.0019493 k( 18) = ( 0.0000000 0.0000000 0.1049383), wk = 0.0019493 k( 19) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0019493 k( 20) = ( 0.0000000 0.0000000 0.1172839), wk = 0.0019493 k( 21) = ( 0.0000000 0.0000000 0.1234568), wk = 0.0019493 k( 22) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0019493 k( 23) = ( 0.0000000 0.0000000 0.1358025), wk = 0.0019493 k( 24) = ( 0.0000000 0.0000000 0.1419753), wk = 0.0019493 k( 25) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0019493 k( 26) = ( 0.0000000 0.0000000 0.1543210), wk = 0.0019493 k( 27) = ( 0.0000000 0.0000000 0.1604938), wk = 0.0019493 k( 28) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019493 k( 29) = ( 0.0000000 0.0000000 0.1728395), wk = 0.0019493 k( 30) = ( 0.0000000 0.0000000 0.1790123), wk = 0.0019493 k( 31) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0019493 k( 32) = ( 0.0000000 0.0000000 0.1913580), wk = 0.0019493 k( 33) = ( 0.0000000 0.0000000 0.1975309), wk = 0.0019493 k( 34) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0019493 k( 35) = ( 0.0000000 0.0000000 0.2098765), wk = 0.0019493 k( 36) = ( 0.0000000 0.0000000 0.2160494), wk = 0.0019493 k( 37) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0019493 k( 38) = ( 0.0000000 0.0000000 0.2283951), wk = 0.0019493 k( 39) = ( 0.0000000 0.0000000 0.2345679), wk = 0.0019493 k( 40) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0019493 k( 41) = ( 0.0000000 0.0000000 0.2469136), wk = 0.0019493 k( 42) = ( 0.0000000 0.0000000 0.2530864), wk = 0.0019493 k( 43) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0019493 k( 44) = ( 0.0000000 0.0000000 0.2654321), wk = 0.0019493 k( 45) = ( 0.0000000 0.0000000 0.2716049), wk = 0.0019493 k( 46) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0019493 k( 47) = ( 0.0000000 0.0000000 0.2839506), wk = 0.0019493 k( 48) = ( 0.0000000 0.0000000 0.2901235), wk = 0.0019493 k( 49) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0019493 k( 50) = ( 0.0000000 0.0000000 0.3024691), wk = 0.0019493 k( 51) = ( 0.0000000 0.0000000 0.3086420), wk = 0.0019493 k( 52) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0019493 k( 53) = ( 0.0000000 0.0000000 0.3209877), wk = 0.0019493 k( 54) = ( 0.0000000 0.0000000 0.3271605), wk = 0.0019493 k( 55) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019493 k( 56) = ( 0.0000000 0.0000000 0.3395062), wk = 0.0019493 k( 57) = ( 0.0000000 0.0000000 0.3456790), wk = 0.0019493 k( 58) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0019493 k( 59) = ( 0.0000000 0.0000000 0.3580247), wk = 0.0019493 k( 60) = ( 0.0000000 0.0000000 0.3641975), wk = 0.0019493 k( 61) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0019493 k( 62) = ( 0.0000000 0.0000000 0.3765432), wk = 0.0019493 k( 63) = ( 0.0000000 0.0000000 0.3827160), wk = 0.0019493 k( 64) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0019493 k( 65) = ( 0.0000000 0.0000000 0.3950617), wk = 0.0019493 k( 66) = ( 0.0000000 0.0000000 0.4012346), wk = 0.0019493 k( 67) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0019493 k( 68) = ( 0.0000000 0.0000000 0.4135802), wk = 0.0019493 k( 69) = ( 0.0000000 0.0000000 0.4197531), wk = 0.0019493 k( 70) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0019493 k( 71) = ( 0.0000000 0.0000000 0.4320988), wk = 0.0019493 k( 72) = ( 0.0000000 0.0000000 0.4382716), wk = 0.0019493 k( 73) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0019493 k( 74) = ( 0.0000000 0.0000000 0.4506173), wk = 0.0019493 k( 75) = ( 0.0000000 0.0000000 0.4567901), wk = 0.0019493 k( 76) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0019493 k( 77) = ( 0.0000000 0.0000000 0.4691358), wk = 0.0019493 k( 78) = ( 0.0000000 0.0000000 0.4753086), wk = 0.0019493 k( 79) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0019493 k( 80) = ( 0.0000000 0.0000000 0.4876543), wk = 0.0019493 k( 81) = ( 0.0000000 0.0000000 0.4938272), wk = 0.0019493 k( 82) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019493 k( 83) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019493 k( 84) = ( -0.0057989 0.0057989 0.5000000), wk = 0.0019493 k( 85) = ( -0.0115977 0.0115977 0.5000000), wk = 0.0019493 k( 86) = ( -0.0173966 0.0173966 0.5000000), wk = 0.0019493 k( 87) = ( -0.0231955 0.0231955 0.5000000), wk = 0.0019493 k( 88) = ( -0.0289943 0.0289943 0.5000000), wk = 0.0019493 k( 89) = ( -0.0347932 0.0347932 0.5000000), wk = 0.0019493 k( 90) = ( -0.0405921 0.0405921 0.5000000), wk = 0.0019493 k( 91) = ( -0.0463910 0.0463910 0.5000000), wk = 0.0019493 k( 92) = ( -0.0521898 0.0521898 0.5000000), wk = 0.0019493 k( 93) = ( -0.0579887 0.0579887 0.5000000), wk = 0.0019493 k( 94) = ( -0.0637876 0.0637876 0.5000000), wk = 0.0019493 k( 95) = ( -0.0695864 0.0695864 0.5000000), wk = 0.0019493 k( 96) = ( -0.0753853 0.0753853 0.5000000), wk = 0.0019493 k( 97) = ( -0.0753853 0.0753853 0.5000000), wk = 0.0019493 k( 98) = ( -0.0797181 0.0797181 0.4956672), wk = 0.0019493 k( 99) = ( -0.0840509 0.0840509 0.4913344), wk = 0.0019493 k( 100) = ( -0.0883837 0.0883837 0.4870016), wk = 0.0019493 k( 101) = ( -0.0927165 0.0927165 0.4826688), wk = 0.0019493 k( 102) = ( -0.0970493 0.0970493 0.4783360), wk = 0.0019493 k( 103) = ( -0.1013821 0.1013821 0.4740032), wk = 0.0019493 k( 104) = ( -0.1057149 0.1057149 0.4696704), wk = 0.0019493 k( 105) = ( -0.1100477 0.1100477 0.4653376), wk = 0.0019493 k( 106) = ( -0.1143805 0.1143805 0.4610048), wk = 0.0019493 k( 107) = ( -0.1187133 0.1187133 0.4566720), wk = 0.0019493 k( 108) = ( -0.1230461 0.1230461 0.4523392), wk = 0.0019493 k( 109) = ( -0.1273789 0.1273789 0.4480064), wk = 0.0019493 k( 110) = ( -0.1317117 0.1317117 0.4436736), wk = 0.0019493 k( 111) = ( -0.1360445 0.1360445 0.4393408), wk = 0.0019493 k( 112) = ( -0.1403773 0.1403773 0.4350079), wk = 0.0019493 k( 113) = ( -0.1447101 0.1447101 0.4306752), wk = 0.0019493 k( 114) = ( -0.1490430 0.1490430 0.4263423), wk = 0.0019493 k( 115) = ( -0.1533758 0.1533758 0.4220095), wk = 0.0019493 k( 116) = ( -0.1577086 0.1577086 0.4176767), wk = 0.0019493 k( 117) = ( -0.1620414 0.1620414 0.4133439), wk = 0.0019493 k( 118) = ( -0.1663742 0.1663742 0.4090111), wk = 0.0019493 k( 119) = ( -0.1707070 0.1707070 0.4046783), wk = 0.0019493 k( 120) = ( -0.1750398 0.1750398 0.4003455), wk = 0.0019493 k( 121) = ( -0.1793726 0.1793726 0.3960127), wk = 0.0019493 k( 122) = ( -0.1837054 0.1837054 0.3916799), wk = 0.0019493 k( 123) = ( -0.1880382 0.1880382 0.3873471), wk = 0.0019493 k( 124) = ( -0.1923710 0.1923710 0.3830143), wk = 0.0019493 k( 125) = ( -0.1967038 0.1967038 0.3786815), wk = 0.0019493 k( 126) = ( -0.2010366 0.2010366 0.3743487), wk = 0.0019493 k( 127) = ( -0.2053694 0.2053694 0.3700159), wk = 0.0019493 k( 128) = ( -0.2097022 0.2097022 0.3656831), wk = 0.0019493 k( 129) = ( -0.2140350 0.2140350 0.3613503), wk = 0.0019493 k( 130) = ( -0.2183678 0.2183678 0.3570175), wk = 0.0019493 k( 131) = ( -0.2227006 0.2227006 0.3526847), wk = 0.0019493 k( 132) = ( -0.2270334 0.2270334 0.3483519), wk = 0.0019493 k( 133) = ( -0.2313662 0.2313662 0.3440191), wk = 0.0019493 k( 134) = ( -0.2356990 0.2356990 0.3396863), wk = 0.0019493 k( 135) = ( -0.2400318 0.2400318 0.3353535), wk = 0.0019493 k( 136) = ( -0.2443646 0.2443646 0.3310207), wk = 0.0019493 k( 137) = ( -0.2486974 0.2486974 0.3266879), wk = 0.0019493 k( 138) = ( -0.2530302 0.2530302 0.3223551), wk = 0.0019493 k( 139) = ( -0.2573630 0.2573630 0.3180223), wk = 0.0019493 k( 140) = ( -0.2616958 0.2616958 0.3136895), wk = 0.0019493 k( 141) = ( -0.2660286 0.2660286 0.3093567), wk = 0.0019493 k( 142) = ( -0.2703614 0.2703614 0.3050239), wk = 0.0019493 k( 143) = ( -0.2746942 0.2746942 0.3006911), wk = 0.0019493 k( 144) = ( -0.2790270 0.2790270 0.2963583), wk = 0.0019493 k( 145) = ( -0.2833598 0.2833598 0.2920255), wk = 0.0019493 k( 146) = ( -0.2876926 0.2876926 0.2876926), wk = 0.0019493 k( 147) = ( -0.2876926 0.2876926 0.2876926), wk = 0.0019493 k( 148) = ( -0.2833337 0.2833337 0.2833337), wk = 0.0019493 k( 149) = ( -0.2789747 0.2789747 0.2789747), wk = 0.0019493 k( 150) = ( -0.2746157 0.2746157 0.2746157), wk = 0.0019493 k( 151) = ( -0.2702567 0.2702567 0.2702567), wk = 0.0019493 k( 152) = ( -0.2658977 0.2658978 0.2658977), wk = 0.0019493 k( 153) = ( -0.2615388 0.2615388 0.2615388), wk = 0.0019493 k( 154) = ( -0.2571798 0.2571798 0.2571798), wk = 0.0019493 k( 155) = ( -0.2528208 0.2528208 0.2528208), wk = 0.0019493 k( 156) = ( -0.2484618 0.2484618 0.2484618), wk = 0.0019493 k( 157) = ( -0.2441029 0.2441029 0.2441028), wk = 0.0019493 k( 158) = ( -0.2397439 0.2397439 0.2397439), wk = 0.0019493 k( 159) = ( -0.2353849 0.2353849 0.2353849), wk = 0.0019493 k( 160) = ( -0.2310259 0.2310259 0.2310259), wk = 0.0019493 k( 161) = ( -0.2266669 0.2266669 0.2266669), wk = 0.0019493 k( 162) = ( -0.2223080 0.2223079 0.2223080), wk = 0.0019493 k( 163) = ( -0.2179490 0.2179490 0.2179490), wk = 0.0019493 k( 164) = ( -0.2135900 0.2135900 0.2135900), wk = 0.0019493 k( 165) = ( -0.2092310 0.2092310 0.2092310), wk = 0.0019493 k( 166) = ( -0.2048720 0.2048720 0.2048720), wk = 0.0019493 k( 167) = ( -0.2005131 0.2005131 0.2005131), wk = 0.0019493 k( 168) = ( -0.1961541 0.1961541 0.1961541), wk = 0.0019493 k( 169) = ( -0.1917951 0.1917951 0.1917951), wk = 0.0019493 k( 170) = ( -0.1874361 0.1874361 0.1874361), wk = 0.0019493 k( 171) = ( -0.1830771 0.1830771 0.1830771), wk = 0.0019493 k( 172) = ( -0.1787182 0.1787182 0.1787182), wk = 0.0019493 k( 173) = ( -0.1743592 0.1743592 0.1743592), wk = 0.0019493 k( 174) = ( -0.1700002 0.1700002 0.1700002), wk = 0.0019493 k( 175) = ( -0.1656412 0.1656412 0.1656412), wk = 0.0019493 k( 176) = ( -0.1612822 0.1612822 0.1612822), wk = 0.0019493 k( 177) = ( -0.1569233 0.1569233 0.1569233), wk = 0.0019493 k( 178) = ( -0.1525643 0.1525643 0.1525643), wk = 0.0019493 k( 179) = ( -0.1482053 0.1482053 0.1482053), wk = 0.0019493 k( 180) = ( -0.1438463 0.1438463 0.1438463), wk = 0.0019493 k( 181) = ( -0.1394873 0.1394873 0.1394873), wk = 0.0019493 k( 182) = ( -0.1351284 0.1351284 0.1351284), wk = 0.0019493 k( 183) = ( -0.1307694 0.1307694 0.1307694), wk = 0.0019493 k( 184) = ( -0.1264104 0.1264104 0.1264104), wk = 0.0019493 k( 185) = ( -0.1220514 0.1220514 0.1220514), wk = 0.0019493 k( 186) = ( -0.1176925 0.1176925 0.1176925), wk = 0.0019493 k( 187) = ( -0.1133335 0.1133335 0.1133335), wk = 0.0019493 k( 188) = ( -0.1089745 0.1089745 0.1089745), wk = 0.0019493 k( 189) = ( -0.1046155 0.1046155 0.1046155), wk = 0.0019493 k( 190) = ( -0.1002565 0.1002565 0.1002565), wk = 0.0019493 k( 191) = ( -0.0958975 0.0958975 0.0958975), wk = 0.0019493 k( 192) = ( -0.0915386 0.0915386 0.0915386), wk = 0.0019493 k( 193) = ( -0.0871796 0.0871796 0.0871796), wk = 0.0019493 k( 194) = ( -0.0828206 0.0828206 0.0828206), wk = 0.0019493 k( 195) = ( -0.0784616 0.0784616 0.0784616), wk = 0.0019493 k( 196) = ( -0.0741027 0.0741027 0.0741027), wk = 0.0019493 k( 197) = ( -0.0697437 0.0697437 0.0697437), wk = 0.0019493 k( 198) = ( -0.0653847 0.0653847 0.0653847), wk = 0.0019493 k( 199) = ( -0.0610257 0.0610257 0.0610257), wk = 0.0019493 k( 200) = ( -0.0566667 0.0566667 0.0566667), wk = 0.0019493 k( 201) = ( -0.0523078 0.0523077 0.0523078), wk = 0.0019493 k( 202) = ( -0.0479488 0.0479488 0.0479488), wk = 0.0019493 k( 203) = ( -0.0435898 0.0435898 0.0435898), wk = 0.0019493 k( 204) = ( -0.0392308 0.0392308 0.0392308), wk = 0.0019493 k( 205) = ( -0.0348718 0.0348718 0.0348718), wk = 0.0019493 k( 206) = ( -0.0305129 0.0305129 0.0305129), wk = 0.0019493 k( 207) = ( -0.0261539 0.0261539 0.0261539), wk = 0.0019493 k( 208) = ( -0.0217949 0.0217949 0.0217949), wk = 0.0019493 k( 209) = ( -0.0174359 0.0174359 0.0174359), wk = 0.0019493 k( 210) = ( -0.0130769 0.0130769 0.0130769), wk = 0.0019493 k( 211) = ( -0.0087180 0.0087180 0.0087180), wk = 0.0019493 k( 212) = ( -0.0043590 0.0043590 0.0043590), wk = 0.0019493 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019493 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019493 k( 215) = ( 0.0111111 0.0111111 -0.0111111), wk = 0.0019493 k( 216) = ( 0.0222222 0.0222222 -0.0222222), wk = 0.0019493 k( 217) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0019493 k( 218) = ( 0.0444444 0.0444444 -0.0444444), wk = 0.0019493 k( 219) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0019493 k( 220) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0019493 k( 221) = ( 0.0777778 0.0777778 -0.0777778), wk = 0.0019493 k( 222) = ( 0.0888889 0.0888889 -0.0888889), wk = 0.0019493 k( 223) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0019493 k( 224) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0019493 k( 225) = ( 0.1222222 0.1222222 -0.1222222), wk = 0.0019493 k( 226) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0019493 k( 227) = ( 0.1444444 0.1444444 -0.1444444), wk = 0.0019493 k( 228) = ( 0.1555556 0.1555556 -0.1555556), wk = 0.0019493 k( 229) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0019493 k( 230) = ( 0.1777778 0.1777778 -0.1777778), wk = 0.0019493 k( 231) = ( 0.1888889 0.1888889 -0.1888889), wk = 0.0019493 k( 232) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0019493 k( 233) = ( 0.2111111 0.2111111 -0.2111111), wk = 0.0019493 k( 234) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0019493 k( 235) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0019493 k( 236) = ( 0.2444444 0.2444444 -0.2444444), wk = 0.0019493 k( 237) = ( 0.2555556 0.2555556 -0.2555556), wk = 0.0019493 k( 238) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0019493 k( 239) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0019493 k( 240) = ( 0.2888889 0.2888889 -0.2888889), wk = 0.0019493 k( 241) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0019493 k( 242) = ( 0.3111111 0.3111111 -0.3111111), wk = 0.0019493 k( 243) = ( 0.3222222 0.3222222 -0.3222222), wk = 0.0019493 k( 244) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0019493 k( 245) = ( 0.3444444 0.3444444 -0.3444444), wk = 0.0019493 k( 246) = ( 0.3555556 0.3555556 -0.3555556), wk = 0.0019493 k( 247) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0019493 k( 248) = ( 0.3777778 0.3777778 -0.3777778), wk = 0.0019493 k( 249) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0019493 k( 250) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0019493 k( 251) = ( 0.4111111 0.4111111 -0.4111111), wk = 0.0019493 k( 252) = ( 0.4222222 0.4222222 -0.4222222), wk = 0.0019493 k( 253) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0019493 k( 254) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0019493 k( 255) = ( 0.4555556 0.4555556 -0.4555556), wk = 0.0019493 k( 256) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0019493 k( 257) = ( 0.4777778 0.4777778 -0.4777778), wk = 0.0019493 k( 258) = ( 0.4888889 0.4888889 -0.4888889), wk = 0.0019493 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019493 k( 260) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019493 k( 261) = ( 0.4956672 0.5043328 -0.4956672), wk = 0.0019493 k( 262) = ( 0.4913344 0.5086656 -0.4913344), wk = 0.0019493 k( 263) = ( 0.4870016 0.5129984 -0.4870016), wk = 0.0019493 k( 264) = ( 0.4826688 0.5173312 -0.4826688), wk = 0.0019493 k( 265) = ( 0.4783360 0.5216640 -0.4783360), wk = 0.0019493 k( 266) = ( 0.4740032 0.5259968 -0.4740032), wk = 0.0019493 k( 267) = ( 0.4696704 0.5303296 -0.4696704), wk = 0.0019493 k( 268) = ( 0.4653376 0.5346624 -0.4653376), wk = 0.0019493 k( 269) = ( 0.4610048 0.5389952 -0.4610048), wk = 0.0019493 k( 270) = ( 0.4566720 0.5433280 -0.4566720), wk = 0.0019493 k( 271) = ( 0.4523392 0.5476608 -0.4523392), wk = 0.0019493 k( 272) = ( 0.4480064 0.5519936 -0.4480064), wk = 0.0019493 k( 273) = ( 0.4436736 0.5563264 -0.4436736), wk = 0.0019493 k( 274) = ( 0.4393408 0.5606592 -0.4393408), wk = 0.0019493 k( 275) = ( 0.4350079 0.5649920 -0.4350079), wk = 0.0019493 k( 276) = ( 0.4306752 0.5693248 -0.4306752), wk = 0.0019493 k( 277) = ( 0.4263423 0.5736577 -0.4263424), wk = 0.0019493 k( 278) = ( 0.4220095 0.5779905 -0.4220095), wk = 0.0019493 k( 279) = ( 0.4176767 0.5823233 -0.4176767), wk = 0.0019493 k( 280) = ( 0.4133439 0.5866561 -0.4133439), wk = 0.0019493 k( 281) = ( 0.4090111 0.5909889 -0.4090111), wk = 0.0019493 k( 282) = ( 0.4046783 0.5953217 -0.4046783), wk = 0.0019493 k( 283) = ( 0.4003455 0.5996545 -0.4003455), wk = 0.0019493 k( 284) = ( 0.3960127 0.6039873 -0.3960127), wk = 0.0019493 k( 285) = ( 0.3916799 0.6083201 -0.3916799), wk = 0.0019493 k( 286) = ( 0.3873471 0.6126529 -0.3873471), wk = 0.0019493 k( 287) = ( 0.3830143 0.6169857 -0.3830143), wk = 0.0019493 k( 288) = ( 0.3786815 0.6213185 -0.3786815), wk = 0.0019493 k( 289) = ( 0.3743487 0.6256513 -0.3743487), wk = 0.0019493 k( 290) = ( 0.3700159 0.6299841 -0.3700159), wk = 0.0019493 k( 291) = ( 0.3656831 0.6343169 -0.3656831), wk = 0.0019493 k( 292) = ( 0.3613503 0.6386497 -0.3613503), wk = 0.0019493 k( 293) = ( 0.3570175 0.6429825 -0.3570175), wk = 0.0019493 k( 294) = ( 0.3526847 0.6473153 -0.3526847), wk = 0.0019493 k( 295) = ( 0.3483519 0.6516481 -0.3483519), wk = 0.0019493 k( 296) = ( 0.3440191 0.6559809 -0.3440191), wk = 0.0019493 k( 297) = ( 0.3396863 0.6603137 -0.3396863), wk = 0.0019493 k( 298) = ( 0.3353535 0.6646465 -0.3353535), wk = 0.0019493 k( 299) = ( 0.3310207 0.6689793 -0.3310207), wk = 0.0019493 k( 300) = ( 0.3266879 0.6733121 -0.3266879), wk = 0.0019493 k( 301) = ( 0.3223551 0.6776449 -0.3223551), wk = 0.0019493 k( 302) = ( 0.3180223 0.6819777 -0.3180223), wk = 0.0019493 k( 303) = ( 0.3136895 0.6863105 -0.3136895), wk = 0.0019493 k( 304) = ( 0.3093567 0.6906433 -0.3093567), wk = 0.0019493 k( 305) = ( 0.3050239 0.6949761 -0.3050239), wk = 0.0019493 k( 306) = ( 0.3006911 0.6993089 -0.3006911), wk = 0.0019493 k( 307) = ( 0.2963582 0.7036418 -0.2963582), wk = 0.0019493 k( 308) = ( 0.2920255 0.7079745 -0.2920255), wk = 0.0019493 k( 309) = ( 0.2876926 0.7123074 -0.2876926), wk = 0.0019493 k( 310) = ( 0.2876926 0.7123074 -0.2876926), wk = 0.0019493 k( 311) = ( 0.2757055 0.7034612 -0.2757055), wk = 0.0019493 k( 312) = ( 0.2637183 0.6946151 -0.2637183), wk = 0.0019493 k( 313) = ( 0.2517311 0.6857689 -0.2517311), wk = 0.0019493 k( 314) = ( 0.2397439 0.6769228 -0.2397439), wk = 0.0019493 k( 315) = ( 0.2277567 0.6680767 -0.2277567), wk = 0.0019493 k( 316) = ( 0.2157695 0.6592305 -0.2157695), wk = 0.0019493 k( 317) = ( 0.2037823 0.6503844 -0.2037823), wk = 0.0019493 k( 318) = ( 0.1917951 0.6415382 -0.1917951), wk = 0.0019493 k( 319) = ( 0.1798079 0.6326921 -0.1798079), wk = 0.0019493 k( 320) = ( 0.1678207 0.6238460 -0.1678207), wk = 0.0019493 k( 321) = ( 0.1558335 0.6149998 -0.1558335), wk = 0.0019493 k( 322) = ( 0.1438463 0.6061537 -0.1438463), wk = 0.0019493 k( 323) = ( 0.1318591 0.5973075 -0.1318591), wk = 0.0019493 k( 324) = ( 0.1198719 0.5884614 -0.1198719), wk = 0.0019493 k( 325) = ( 0.1078847 0.5796153 -0.1078847), wk = 0.0019493 k( 326) = ( 0.0958975 0.5707691 -0.0958975), wk = 0.0019493 k( 327) = ( 0.0839104 0.5619230 -0.0839104), wk = 0.0019493 k( 328) = ( 0.0719232 0.5530768 -0.0719232), wk = 0.0019493 k( 329) = ( 0.0599360 0.5442307 -0.0599360), wk = 0.0019493 k( 330) = ( 0.0479488 0.5353846 -0.0479488), wk = 0.0019493 k( 331) = ( 0.0359616 0.5265384 -0.0359616), wk = 0.0019493 k( 332) = ( 0.0239744 0.5176923 -0.0239744), wk = 0.0019493 k( 333) = ( 0.0119872 0.5088461 -0.0119872), wk = 0.0019493 k( 334) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019493 k( 335) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019493 k( 336) = ( 0.0043860 0.4956140 0.0043860), wk = 0.0019493 k( 337) = ( 0.0087719 0.4912281 0.0087719), wk = 0.0019493 k( 338) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0019493 k( 339) = ( 0.0175439 0.4824561 0.0175439), wk = 0.0019493 k( 340) = ( 0.0219298 0.4780702 0.0219298), wk = 0.0019493 k( 341) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0019493 k( 342) = ( 0.0307017 0.4692983 0.0307017), wk = 0.0019493 k( 343) = ( 0.0350877 0.4649123 0.0350877), wk = 0.0019493 k( 344) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0019493 k( 345) = ( 0.0438597 0.4561404 0.0438596), wk = 0.0019493 k( 346) = ( 0.0482456 0.4517544 0.0482456), wk = 0.0019493 k( 347) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0019493 k( 348) = ( 0.0570175 0.4429825 0.0570175), wk = 0.0019493 k( 349) = ( 0.0614035 0.4385965 0.0614035), wk = 0.0019493 k( 350) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0019493 k( 351) = ( 0.0701754 0.4298246 0.0701754), wk = 0.0019493 k( 352) = ( 0.0745614 0.4254386 0.0745614), wk = 0.0019493 k( 353) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0019493 k( 354) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0019493 k( 355) = ( 0.0877193 0.4122807 0.0877193), wk = 0.0019493 k( 356) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0019493 k( 357) = ( 0.0964912 0.4035088 0.0964912), wk = 0.0019493 k( 358) = ( 0.1008772 0.3991228 0.1008772), wk = 0.0019493 k( 359) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0019493 k( 360) = ( 0.1096491 0.3903509 0.1096491), wk = 0.0019493 k( 361) = ( 0.1140351 0.3859649 0.1140351), wk = 0.0019493 k( 362) = ( 0.1184210 0.3815790 0.1184211), wk = 0.0019493 k( 363) = ( 0.1228070 0.3771930 0.1228070), wk = 0.0019493 k( 364) = ( 0.1271930 0.3728070 0.1271930), wk = 0.0019493 k( 365) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0019493 k( 366) = ( 0.1359649 0.3640351 0.1359649), wk = 0.0019493 k( 367) = ( 0.1403509 0.3596491 0.1403509), wk = 0.0019493 k( 368) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0019493 k( 369) = ( 0.1491228 0.3508772 0.1491228), wk = 0.0019493 k( 370) = ( 0.1535088 0.3464912 0.1535088), wk = 0.0019493 k( 371) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0019493 k( 372) = ( 0.1622807 0.3377193 0.1622807), wk = 0.0019493 k( 373) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0019493 k( 374) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0019493 k( 375) = ( 0.1754386 0.3245614 0.1754386), wk = 0.0019493 k( 376) = ( 0.1798246 0.3201754 0.1798246), wk = 0.0019493 k( 377) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0019493 k( 378) = ( 0.1885965 0.3114035 0.1885965), wk = 0.0019493 k( 379) = ( 0.1929825 0.3070175 0.1929825), wk = 0.0019493 k( 380) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0019493 k( 381) = ( 0.2017544 0.2982456 0.2017544), wk = 0.0019493 k( 382) = ( 0.2061403 0.2938597 0.2061404), wk = 0.0019493 k( 383) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0019493 k( 384) = ( 0.2149123 0.2850877 0.2149123), wk = 0.0019493 k( 385) = ( 0.2192983 0.2807018 0.2192982), wk = 0.0019493 k( 386) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0019493 k( 387) = ( 0.2280702 0.2719298 0.2280702), wk = 0.0019493 k( 388) = ( 0.2324561 0.2675439 0.2324561), wk = 0.0019493 k( 389) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0019493 k( 390) = ( 0.2412281 0.2587719 0.2412281), wk = 0.0019493 k( 391) = ( 0.2456140 0.2543860 0.2456140), wk = 0.0019493 k( 392) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019493 k( 393) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019493 k( 394) = ( 0.2596154 0.2596154 0.2374852), wk = 0.0019493 k( 395) = ( 0.2692308 0.2692308 0.2249704), wk = 0.0019493 k( 396) = ( 0.2788462 0.2788462 0.2124555), wk = 0.0019493 k( 397) = ( 0.2884615 0.2884615 0.1999407), wk = 0.0019493 k( 398) = ( 0.2980769 0.2980769 0.1874259), wk = 0.0019493 k( 399) = ( 0.3076923 0.3076923 0.1749111), wk = 0.0019493 k( 400) = ( 0.3173077 0.3173077 0.1623963), wk = 0.0019493 k( 401) = ( 0.3269231 0.3269231 0.1498815), wk = 0.0019493 k( 402) = ( 0.3365385 0.3365385 0.1373666), wk = 0.0019493 k( 403) = ( 0.3461538 0.3461538 0.1248518), wk = 0.0019493 k( 404) = ( 0.3557692 0.3557692 0.1123370), wk = 0.0019493 k( 405) = ( 0.3653846 0.3653846 0.0998222), wk = 0.0019493 k( 406) = ( 0.3750000 0.3750000 0.0873074), wk = 0.0019493 k( 407) = ( 0.3846154 0.3846154 0.0747925), wk = 0.0019493 k( 408) = ( 0.3942308 0.3942308 0.0622777), wk = 0.0019493 k( 409) = ( 0.4038462 0.4038462 0.0497629), wk = 0.0019493 k( 410) = ( 0.4134615 0.4134615 0.0372481), wk = 0.0019493 k( 411) = ( 0.4230769 0.4230769 0.0247333), wk = 0.0019493 k( 412) = ( 0.4326923 0.4326923 0.0122184), wk = 0.0019493 k( 413) = ( 0.4423077 0.4423077 -0.0002964), wk = 0.0019493 k( 414) = ( 0.4519231 0.4519231 -0.0128112), wk = 0.0019493 k( 415) = ( 0.4615385 0.4615385 -0.0253260), wk = 0.0019493 k( 416) = ( 0.4711538 0.4711538 -0.0378408), wk = 0.0019493 k( 417) = ( 0.4807692 0.4807692 -0.0503557), wk = 0.0019493 k( 418) = ( 0.4903846 0.4903846 -0.0628705), wk = 0.0019493 k( 419) = ( 0.5000000 0.5000000 -0.0753853), wk = 0.0019493 k( 420) = ( 0.5000000 0.5000000 -0.0753853), wk = 0.0019493 k( 421) = ( 0.5000000 0.5000000 -0.0815391), wk = 0.0019493 k( 422) = ( 0.5000000 0.5000000 -0.0876930), wk = 0.0019493 k( 423) = ( 0.5000000 0.5000000 -0.0938468), wk = 0.0019493 k( 424) = ( 0.5000000 0.5000000 -0.1000006), wk = 0.0019493 k( 425) = ( 0.5000000 0.5000000 -0.1061545), wk = 0.0019493 k( 426) = ( 0.5000000 0.5000000 -0.1123083), wk = 0.0019493 k( 427) = ( 0.5000000 0.5000000 -0.1184622), wk = 0.0019493 k( 428) = ( 0.5000000 0.5000000 -0.1246160), wk = 0.0019493 k( 429) = ( 0.5000000 0.5000000 -0.1307698), wk = 0.0019493 k( 430) = ( 0.5000000 0.5000000 -0.1369237), wk = 0.0019493 k( 431) = ( 0.5000000 0.5000000 -0.1430775), wk = 0.0019493 k( 432) = ( 0.5000000 0.5000000 -0.1492313), wk = 0.0019493 k( 433) = ( 0.5000000 0.5000000 -0.1553852), wk = 0.0019493 k( 434) = ( 0.5000000 0.5000000 -0.1615390), wk = 0.0019493 k( 435) = ( 0.5000000 0.5000000 -0.1676928), wk = 0.0019493 k( 436) = ( 0.5000000 0.5000000 -0.1738467), wk = 0.0019493 k( 437) = ( 0.5000000 0.5000000 -0.1800005), wk = 0.0019493 k( 438) = ( 0.5000000 0.5000000 -0.1861544), wk = 0.0019493 k( 439) = ( 0.5000000 0.5000000 -0.1923082), wk = 0.0019493 k( 440) = ( 0.5000000 0.5000000 -0.1984620), wk = 0.0019493 k( 441) = ( 0.5000000 0.5000000 -0.2046159), wk = 0.0019493 k( 442) = ( 0.5000000 0.5000000 -0.2107697), wk = 0.0019493 k( 443) = ( 0.5000000 0.5000000 -0.2169235), wk = 0.0019493 k( 444) = ( 0.5000000 0.5000000 -0.2230774), wk = 0.0019493 k( 445) = ( 0.5000000 0.5000000 -0.2292312), wk = 0.0019493 k( 446) = ( 0.5000000 0.5000000 -0.2353850), wk = 0.0019493 k( 447) = ( 0.5000000 0.5000000 -0.2415389), wk = 0.0019493 k( 448) = ( 0.5000000 0.5000000 -0.2476927), wk = 0.0019493 k( 449) = ( 0.5000000 0.5000000 -0.2538466), wk = 0.0019493 k( 450) = ( 0.5000000 0.5000000 -0.2600004), wk = 0.0019493 k( 451) = ( 0.5000000 0.5000000 -0.2661542), wk = 0.0019493 k( 452) = ( 0.5000000 0.5000000 -0.2723081), wk = 0.0019493 k( 453) = ( 0.5000000 0.5000000 -0.2784619), wk = 0.0019493 k( 454) = ( 0.5000000 0.5000000 -0.2846157), wk = 0.0019493 k( 455) = ( 0.5000000 0.5000000 -0.2907696), wk = 0.0019493 k( 456) = ( 0.5000000 0.5000000 -0.2969234), wk = 0.0019493 k( 457) = ( 0.5000000 0.5000000 -0.3030772), wk = 0.0019493 k( 458) = ( 0.5000000 0.5000000 -0.3092311), wk = 0.0019493 k( 459) = ( 0.5000000 0.5000000 -0.3153849), wk = 0.0019493 k( 460) = ( 0.5000000 0.5000000 -0.3215387), wk = 0.0019493 k( 461) = ( 0.5000000 0.5000000 -0.3276926), wk = 0.0019493 k( 462) = ( 0.5000000 0.5000000 -0.3338464), wk = 0.0019493 k( 463) = ( 0.5000000 0.5000000 -0.3400003), wk = 0.0019493 k( 464) = ( 0.5000000 0.5000000 -0.3461541), wk = 0.0019493 k( 465) = ( 0.5000000 0.5000000 -0.3523079), wk = 0.0019493 k( 466) = ( 0.5000000 0.5000000 -0.3584618), wk = 0.0019493 k( 467) = ( 0.5000000 0.5000000 -0.3646156), wk = 0.0019493 k( 468) = ( 0.5000000 0.5000000 -0.3707694), wk = 0.0019493 k( 469) = ( 0.5000000 0.5000000 -0.3769233), wk = 0.0019493 k( 470) = ( 0.5000000 0.5000000 -0.3830771), wk = 0.0019493 k( 471) = ( 0.5000000 0.5000000 -0.3892310), wk = 0.0019493 k( 472) = ( 0.5000000 0.5000000 -0.3953848), wk = 0.0019493 k( 473) = ( 0.5000000 0.5000000 -0.4015386), wk = 0.0019493 k( 474) = ( 0.5000000 0.5000000 -0.4076925), wk = 0.0019493 k( 475) = ( 0.5000000 0.5000000 -0.4138463), wk = 0.0019493 k( 476) = ( 0.5000000 0.5000000 -0.4200001), wk = 0.0019493 k( 477) = ( 0.5000000 0.5000000 -0.4261540), wk = 0.0019493 k( 478) = ( 0.5000000 0.5000000 -0.4323078), wk = 0.0019493 k( 479) = ( 0.5000000 0.5000000 -0.4384616), wk = 0.0019493 k( 480) = ( 0.5000000 0.5000000 -0.4446155), wk = 0.0019493 k( 481) = ( 0.5000000 0.5000000 -0.4507693), wk = 0.0019493 k( 482) = ( 0.5000000 0.5000000 -0.4569232), wk = 0.0019493 k( 483) = ( 0.5000000 0.5000000 -0.4630770), wk = 0.0019493 k( 484) = ( 0.5000000 0.5000000 -0.4692308), wk = 0.0019493 k( 485) = ( 0.5000000 0.5000000 -0.4753847), wk = 0.0019493 k( 486) = ( 0.5000000 0.5000000 -0.4815385), wk = 0.0019493 k( 487) = ( 0.5000000 0.5000000 -0.4876923), wk = 0.0019493 k( 488) = ( 0.5000000 0.5000000 -0.4938462), wk = 0.0019493 k( 489) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019493 k( 490) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019493 k( 491) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0019493 k( 492) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0019493 k( 493) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0019493 k( 494) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0019493 k( 495) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0019493 k( 496) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0019493 k( 497) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0019493 k( 498) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0019493 k( 499) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0019493 k( 500) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0019493 k( 501) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0019493 k( 502) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0019493 k( 503) = ( 0.1413043 0.1413044 0.3586956), wk = 0.0019493 k( 504) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0019493 k( 505) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0019493 k( 506) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0019493 k( 507) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0019493 k( 508) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0019493 k( 509) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0019493 k( 510) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0019493 k( 511) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0019493 k( 512) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0019493 k( 513) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019493 Dense grid: 25775 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 146, 24) NL pseudopotentials 0.07 Mb ( 73, 62) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.00 Mb ( 539) G-vector shells 0.00 Mb ( 273) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 146, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.05 Mb ( 62, 2, 24) The potential is recalculated from file : ./LiFeAs.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.5 secs Computing kpt #: 2 total cpu time spent up to now is 53.5 secs Computing kpt #: 3 total cpu time spent up to now is 54.3 secs Computing kpt #: 4 total cpu time spent up to now is 55.2 secs Computing kpt #: 5 total cpu time spent up to now is 55.8 secs Computing kpt #: 6 total cpu time spent up to now is 56.5 secs Computing kpt #: 7 total cpu time spent up to now is 57.1 secs Computing kpt #: 8 total cpu time spent up to now is 57.8 secs Computing kpt #: 9 total cpu time spent up to now is 58.5 secs Computing kpt #: 10 total cpu time spent up to now is 59.2 secs Computing kpt #: 11 total cpu time spent up to now is 59.9 secs Computing kpt #: 12 total cpu time spent up to now is 60.8 secs Computing kpt #: 13 total cpu time spent up to now is 61.6 secs Computing kpt #: 14 total cpu time spent up to now is 62.3 secs Computing kpt #: 15 total cpu time spent up to now is 63.0 secs Computing kpt #: 16 total cpu time spent up to now is 63.7 secs Computing kpt #: 17 total cpu time spent up to now is 64.5 secs Computing kpt #: 18 total cpu time spent up to now is 65.2 secs Computing kpt #: 19 total cpu time spent up to now is 65.8 secs Computing kpt #: 20 total cpu time spent up to now is 66.4 secs Computing kpt #: 21 total cpu time spent up to now is 67.0 secs Computing kpt #: 22 total cpu time spent up to now is 67.6 secs Computing kpt #: 23 total cpu time spent up to now is 68.1 secs Computing kpt #: 24 total cpu time spent up to now is 68.6 secs Computing kpt #: 25 total cpu time spent up to now is 69.2 secs Computing kpt #: 26 total cpu time spent up to now is 70.0 secs Computing kpt #: 27 total cpu time spent up to now is 70.6 secs Computing kpt #: 28 total cpu time spent up to now is 71.3 secs Computing kpt #: 29 total cpu time spent up to now is 71.8 secs Computing kpt #: 30 total cpu time spent up to now is 72.5 secs Computing kpt #: 31 total cpu time spent up to now is 73.0 secs Computing kpt #: 32 total cpu time spent up to now is 73.6 secs Computing kpt #: 33 total cpu time spent up to now is 74.3 secs Computing kpt #: 34 total cpu time spent up to now is 75.0 secs Computing kpt #: 35 total cpu time spent up to now is 75.6 secs Computing kpt #: 36 total cpu time spent up to now is 76.1 secs Computing kpt #: 37 total cpu time spent up to now is 76.6 secs Computing kpt #: 38 total cpu time spent up to now is 77.2 secs Computing kpt #: 39 total cpu time spent up to now is 77.9 secs Computing kpt #: 40 total cpu time spent up to now is 79.1 secs Computing kpt #: 41 total cpu time spent up to now is 79.7 secs Computing kpt #: 42 total cpu time spent up to now is 80.6 secs Computing kpt #: 43 total cpu time spent up to now is 81.3 secs Computing kpt #: 44 total cpu time spent up to now is 82.1 secs Computing kpt #: 45 total cpu time spent up to now is 82.7 secs Computing kpt #: 46 total cpu time spent up to now is 83.3 secs Computing kpt #: 47 total cpu time spent up to now is 84.5 secs Computing kpt #: 48 total cpu time spent up to now is 85.2 secs Computing kpt #: 49 total cpu time spent up to now is 85.7 secs Computing kpt #: 50 total cpu time spent up to now is 86.5 secs Computing kpt #: 51 total cpu time spent up to now is 87.8 secs Computing kpt #: 52 total cpu time spent up to now is 88.4 secs Computing kpt #: 53 total cpu time spent up to now is 89.2 secs Computing kpt #: 54 total cpu time spent up to now is 89.9 secs Computing kpt #: 55 total cpu time spent up to now is 90.7 secs Computing kpt #: 56 total cpu time spent up to now is 91.3 secs Computing kpt #: 57 total cpu time spent up to now is 91.9 secs Computing kpt #: 58 total cpu time spent up to now is 92.5 secs Computing kpt #: 59 total cpu time spent up to now is 93.1 secs Computing kpt #: 60 total cpu time spent up to now is 93.6 secs Computing kpt #: 61 total cpu time spent up to now is 94.2 secs Computing kpt #: 62 total cpu time spent up to now is 94.9 secs Computing kpt #: 63 total cpu time spent up to now is 95.7 secs Computing kpt #: 64 total cpu time spent up to now is 96.3 secs Computing kpt #: 65 total cpu time spent up to now is 96.9 secs Computing kpt #: 66 total cpu time spent up to now is 97.5 secs Computing kpt #: 67 total cpu time spent up to now is 98.2 secs Computing kpt #: 68 total cpu time spent up to now is 98.8 secs Computing kpt #: 69 total cpu time spent up to now is 99.4 secs Computing kpt #: 70 total cpu time spent up to now is 99.9 secs Computing kpt #: 71 total cpu time spent up to now is 100.5 secs Computing kpt #: 72 total cpu time spent up to now is 101.2 secs Computing kpt #: 73 total cpu time spent up to now is 101.8 secs Computing kpt #: 74 total cpu time spent up to now is 102.7 secs Computing kpt #: 75 total cpu time spent up to now is 103.4 secs Computing kpt #: 76 total cpu time spent up to now is 104.1 secs Computing kpt #: 77 total cpu time spent up to now is 104.7 secs Computing kpt #: 78 total cpu time spent up to now is 105.2 secs Computing kpt #: 79 total cpu time spent up to now is 105.9 secs Computing kpt #: 80 total cpu time spent up to now is 106.6 secs Computing kpt #: 81 total cpu time spent up to now is 107.2 secs Computing kpt #: 82 total cpu time spent up to now is 107.9 secs Computing kpt #: 83 total cpu time spent up to now is 108.5 secs Computing kpt #: 84 total cpu time spent up to now is 109.0 secs Computing kpt #: 85 total cpu time spent up to now is 109.6 secs Computing kpt #: 86 total cpu time spent up to now is 110.1 secs Computing kpt #: 87 total cpu time spent up to now is 110.6 secs Computing kpt #: 88 total cpu time spent up to now is 111.2 secs Computing kpt #: 89 total cpu time spent up to now is 111.8 secs Computing kpt #: 90 total cpu time spent up to now is 112.4 secs Computing kpt #: 91 total cpu time spent up to now is 113.0 secs Computing kpt #: 92 total cpu time spent up to now is 113.6 secs Computing kpt #: 93 total cpu time spent up to now is 114.1 secs Computing kpt #: 94 total cpu time spent up to now is 114.7 secs Computing kpt #: 95 total cpu time spent up to now is 115.3 secs Computing kpt #: 96 total cpu time spent up to now is 115.8 secs Computing kpt #: 97 total cpu time spent up to now is 116.3 secs Computing kpt #: 98 total cpu time spent up to now is 116.8 secs Computing kpt #: 99 total cpu time spent up to now is 117.3 secs Computing kpt #: 100 total cpu time spent up to now is 117.9 secs Computing kpt #: 101 total cpu time spent up to now is 118.7 secs Computing kpt #: 102 total cpu time spent up to now is 119.3 secs Computing kpt #: 103 total cpu time spent up to now is 119.9 secs Computing kpt #: 104 total cpu time spent up to now is 120.6 secs Computing kpt #: 105 total cpu time spent up to now is 121.2 secs Computing kpt #: 106 total cpu time spent up to now is 121.7 secs Computing kpt #: 107 total cpu time spent up to now is 122.3 secs Computing kpt #: 108 total cpu time spent up to now is 122.8 secs Computing kpt #: 109 total cpu time spent up to now is 123.5 secs Computing kpt #: 110 total cpu time spent up to now is 124.3 secs Computing kpt #: 111 total cpu time spent up to now is 124.9 secs Computing kpt #: 112 total cpu time spent up to now is 125.6 secs Computing kpt #: 113 total cpu time spent up to now is 126.2 secs Computing kpt #: 114 total cpu time spent up to now is 126.8 secs Computing kpt #: 115 total cpu time spent up to now is 127.5 secs Computing kpt #: 116 total cpu time spent up to now is 128.1 secs Computing kpt #: 117 total cpu time spent up to now is 128.8 secs Computing kpt #: 118 total cpu time spent up to now is 129.4 secs Computing kpt #: 119 total cpu time spent up to now is 130.1 secs Computing kpt #: 120 total cpu time spent up to now is 130.8 secs Computing kpt #: 121 total cpu time spent up to now is 131.6 secs Computing kpt #: 122 total cpu time spent up to now is 132.4 secs Computing kpt #: 123 total cpu time spent up to now is 133.2 secs Computing kpt #: 124 total cpu time spent up to now is 133.9 secs Computing kpt #: 125 total cpu time spent up to now is 135.1 secs Computing kpt #: 126 total cpu time spent up to now is 135.8 secs Computing kpt #: 127 total cpu time spent up to now is 136.5 secs Computing kpt #: 128 total cpu time spent up to now is 137.2 secs Computing kpt #: 129 total cpu time spent up to now is 137.8 secs Computing kpt #: 130 total cpu time spent up to now is 138.7 secs Computing kpt #: 131 total cpu time spent up to now is 139.3 secs Computing kpt #: 132 total cpu time spent up to now is 139.9 secs Computing kpt #: 133 total cpu time spent up to now is 140.5 secs Computing kpt #: 134 total cpu time spent up to now is 141.1 secs Computing kpt #: 135 total cpu time spent up to now is 141.9 secs Computing kpt #: 136 total cpu time spent up to now is 142.7 secs Computing kpt #: 137 total cpu time spent up to now is 143.3 secs Computing kpt #: 138 total cpu time spent up to now is 143.9 secs Computing kpt #: 139 total cpu time spent up to now is 144.4 secs Computing kpt #: 140 total cpu time spent up to now is 145.0 secs Computing kpt #: 141 total cpu time spent up to now is 145.6 secs Computing kpt #: 142 total cpu time spent up to now is 147.0 secs Computing kpt #: 143 total cpu time spent up to now is 148.0 secs Computing kpt #: 144 total cpu time spent up to now is 148.7 secs Computing kpt #: 145 total cpu time spent up to now is 149.3 secs Computing kpt #: 146 total cpu time spent up to now is 149.8 secs Computing kpt #: 147 total cpu time spent up to now is 150.4 secs Computing kpt #: 148 total cpu time spent up to now is 150.9 secs Computing kpt #: 149 total cpu time spent up to now is 151.5 secs Computing kpt #: 150 total cpu time spent up to now is 152.2 secs Computing kpt #: 151 total cpu time spent up to now is 152.8 secs Computing kpt #: 152 total cpu time spent up to now is 153.5 secs Computing kpt #: 153 total cpu time spent up to now is 154.1 secs Computing kpt #: 154 total cpu time spent up to now is 154.6 secs Computing kpt #: 155 total cpu time spent up to now is 155.1 secs Computing kpt #: 156 total cpu time spent up to now is 155.7 secs Computing kpt #: 157 total cpu time spent up to now is 156.2 secs Computing kpt #: 158 total cpu time spent up to now is 156.7 secs Computing kpt #: 159 total cpu time spent up to now is 157.6 secs Computing kpt #: 160 total cpu time spent up to now is 158.2 secs Computing kpt #: 161 total cpu time spent up to now is 158.8 secs Computing kpt #: 162 total cpu time spent up to now is 159.4 secs Computing kpt #: 163 total cpu time spent up to now is 159.9 secs Computing kpt #: 164 total cpu time spent up to now is 160.6 secs Computing kpt #: 165 total cpu time spent up to now is 161.7 secs Computing kpt #: 166 total cpu time spent up to now is 162.4 secs Computing kpt #: 167 total cpu time spent up to now is 163.5 secs Computing kpt #: 168 total cpu time spent up to now is 164.1 secs Computing kpt #: 169 total cpu time spent up to now is 164.6 secs Computing kpt #: 170 total cpu time spent up to now is 165.1 secs Computing kpt #: 171 total cpu time spent up to now is 165.7 secs Computing kpt #: 172 total cpu time spent up to now is 166.3 secs Computing kpt #: 173 total cpu time spent up to now is 166.8 secs Computing kpt #: 174 total cpu time spent up to now is 167.3 secs Computing kpt #: 175 total cpu time spent up to now is 167.8 secs Computing kpt #: 176 total cpu time spent up to now is 168.3 secs Computing kpt #: 177 total cpu time spent up to now is 168.8 secs Computing kpt #: 178 total cpu time spent up to now is 169.3 secs Computing kpt #: 179 total cpu time spent up to now is 169.8 secs Computing kpt #: 180 total cpu time spent up to now is 170.3 secs Computing kpt #: 181 total cpu time spent up to now is 170.8 secs Computing kpt #: 182 total cpu time spent up to now is 171.3 secs Computing kpt #: 183 total cpu time spent up to now is 172.0 secs Computing kpt #: 184 total cpu time spent up to now is 172.8 secs Computing kpt #: 185 total cpu time spent up to now is 173.4 secs Computing kpt #: 186 total cpu time spent up to now is 174.1 secs Computing kpt #: 187 total cpu time spent up to now is 174.7 secs Computing kpt #: 188 total cpu time spent up to now is 175.3 secs Computing kpt #: 189 total cpu time spent up to now is 175.8 secs Computing kpt #: 190 total cpu time spent up to now is 176.9 secs Computing kpt #: 191 total cpu time spent up to now is 177.7 secs Computing kpt #: 192 total cpu time spent up to now is 178.3 secs Computing kpt #: 193 total cpu time spent up to now is 178.8 secs Computing kpt #: 194 total cpu time spent up to now is 179.3 secs Computing kpt #: 195 total cpu time spent up to now is 179.9 secs Computing kpt #: 196 total cpu time spent up to now is 180.5 secs Computing kpt #: 197 total cpu time spent up to now is 181.1 secs Computing kpt #: 198 total cpu time spent up to now is 181.7 secs Computing kpt #: 199 total cpu time spent up to now is 182.3 secs Computing kpt #: 200 total cpu time spent up to now is 182.9 secs Computing kpt #: 201 total cpu time spent up to now is 183.5 secs Computing kpt #: 202 total cpu time spent up to now is 184.1 secs Computing kpt #: 203 total cpu time spent up to now is 184.7 secs Computing kpt #: 204 total cpu time spent up to now is 185.4 secs Computing kpt #: 205 total cpu time spent up to now is 186.1 secs Computing kpt #: 206 total cpu time spent up to now is 187.1 secs Computing kpt #: 207 total cpu time spent up to now is 187.9 secs Computing kpt #: 208 total cpu time spent up to now is 188.5 secs Computing kpt #: 209 total cpu time spent up to now is 189.7 secs Computing kpt #: 210 total cpu time spent up to now is 191.2 secs Computing kpt #: 211 total cpu time spent up to now is 192.7 secs Computing kpt #: 212 total cpu time spent up to now is 193.9 secs Computing kpt #: 213 total cpu time spent up to now is 195.0 secs Computing kpt #: 214 total cpu time spent up to now is 195.6 secs Computing kpt #: 215 total cpu time spent up to now is 197.1 secs Computing kpt #: 216 total cpu time spent up to now is 197.9 secs Computing kpt #: 217 total cpu time spent up to now is 198.6 secs Computing kpt #: 218 total cpu time spent up to now is 199.2 secs Computing kpt #: 219 total cpu time spent up to now is 199.9 secs Computing kpt #: 220 total cpu time spent up to now is 200.6 secs Computing kpt #: 221 total cpu time spent up to now is 201.2 secs Computing kpt #: 222 total cpu time spent up to now is 201.8 secs Computing kpt #: 223 total cpu time spent up to now is 202.5 secs Computing kpt #: 224 total cpu time spent up to now is 203.1 secs Computing kpt #: 225 total cpu time spent up to now is 203.9 secs Computing kpt #: 226 total cpu time spent up to now is 204.5 secs Computing kpt #: 227 total cpu time spent up to now is 205.1 secs Computing kpt #: 228 total cpu time spent up to now is 205.8 secs Computing kpt #: 229 total cpu time spent up to now is 206.4 secs Computing kpt #: 230 total cpu time spent up to now is 207.0 secs Computing kpt #: 231 total cpu time spent up to now is 208.0 secs Computing kpt #: 232 total cpu time spent up to now is 208.7 secs Computing kpt #: 233 total cpu time spent up to now is 209.2 secs Computing kpt #: 234 total cpu time spent up to now is 209.8 secs Computing kpt #: 235 total cpu time spent up to now is 210.3 secs Computing kpt #: 236 total cpu time spent up to now is 210.8 secs Computing kpt #: 237 total cpu time spent up to now is 211.3 secs Computing kpt #: 238 total cpu time spent up to now is 212.2 secs Computing kpt #: 239 total cpu time spent up to now is 212.8 secs Computing kpt #: 240 total cpu time spent up to now is 213.3 secs Computing kpt #: 241 total cpu time spent up to now is 213.9 secs Computing kpt #: 242 total cpu time spent up to now is 214.7 secs Computing kpt #: 243 total cpu time spent up to now is 215.3 secs Computing kpt #: 244 total cpu time spent up to now is 215.8 secs Computing kpt #: 245 total cpu time spent up to now is 216.3 secs Computing kpt #: 246 total cpu time spent up to now is 216.9 secs Computing kpt #: 247 total cpu time spent up to now is 217.4 secs Computing kpt #: 248 total cpu time spent up to now is 217.9 secs Computing kpt #: 249 total cpu time spent up to now is 218.4 secs Computing kpt #: 250 total cpu time spent up to now is 218.9 secs Computing kpt #: 251 total cpu time spent up to now is 219.4 secs Computing kpt #: 252 total cpu time spent up to now is 220.0 secs Computing kpt #: 253 total cpu time spent up to now is 220.5 secs Computing kpt #: 254 total cpu time spent up to now is 221.1 secs Computing kpt #: 255 total cpu time spent up to now is 221.6 secs Computing kpt #: 256 total cpu time spent up to now is 222.2 secs Computing kpt #: 257 total cpu time spent up to now is 222.7 secs Computing kpt #: 258 total cpu time spent up to now is 223.2 secs Computing kpt #: 259 total cpu time spent up to now is 223.7 secs Computing kpt #: 260 total cpu time spent up to now is 224.2 secs Computing kpt #: 261 total cpu time spent up to now is 224.7 secs Computing kpt #: 262 total cpu time spent up to now is 225.2 secs Computing kpt #: 263 total cpu time spent up to now is 225.8 secs Computing kpt #: 264 total cpu time spent up to now is 226.4 secs Computing kpt #: 265 total cpu time spent up to now is 227.1 secs Computing kpt #: 266 total cpu time spent up to now is 227.6 secs Computing kpt #: 267 total cpu time spent up to now is 228.2 secs Computing kpt #: 268 total cpu time spent up to now is 228.7 secs Computing kpt #: 269 total cpu time spent up to now is 229.3 secs Computing kpt #: 270 total cpu time spent up to now is 229.8 secs Computing kpt #: 271 total cpu time spent up to now is 230.3 secs Computing kpt #: 272 total cpu time spent up to now is 231.0 secs Computing kpt #: 273 total cpu time spent up to now is 231.6 secs Computing kpt #: 274 total cpu time spent up to now is 232.2 secs Computing kpt #: 275 total cpu time spent up to now is 232.9 secs Computing kpt #: 276 total cpu time spent up to now is 233.6 secs Computing kpt #: 277 total cpu time spent up to now is 234.2 secs Computing kpt #: 278 total cpu time spent up to now is 234.8 secs Computing kpt #: 279 total cpu time spent up to now is 235.5 secs Computing kpt #: 280 total cpu time spent up to now is 236.2 secs Computing kpt #: 281 total cpu time spent up to now is 236.8 secs Computing kpt #: 282 total cpu time spent up to now is 237.5 secs Computing kpt #: 283 total cpu time spent up to now is 238.2 secs Computing kpt #: 284 total cpu time spent up to now is 239.0 secs Computing kpt #: 285 total cpu time spent up to now is 239.7 secs Computing kpt #: 286 total cpu time spent up to now is 240.4 secs Computing kpt #: 287 total cpu time spent up to now is 241.1 secs Computing kpt #: 288 total cpu time spent up to now is 241.8 secs Computing kpt #: 289 total cpu time spent up to now is 242.4 secs Computing kpt #: 290 total cpu time spent up to now is 243.1 secs Computing kpt #: 291 total cpu time spent up to now is 243.8 secs Computing kpt #: 292 total cpu time spent up to now is 244.5 secs Computing kpt #: 293 total cpu time spent up to now is 245.1 secs Computing kpt #: 294 total cpu time spent up to now is 246.0 secs Computing kpt #: 295 total cpu time spent up to now is 246.7 secs Computing kpt #: 296 total cpu time spent up to now is 247.3 secs Computing kpt #: 297 total cpu time spent up to now is 247.9 secs Computing kpt #: 298 total cpu time spent up to now is 248.4 secs Computing kpt #: 299 total cpu time spent up to now is 249.0 secs Computing kpt #: 300 total cpu time spent up to now is 250.0 secs Computing kpt #: 301 total cpu time spent up to now is 251.1 secs Computing kpt #: 302 total cpu time spent up to now is 252.2 secs Computing kpt #: 303 total cpu time spent up to now is 253.1 secs Computing kpt #: 304 total cpu time spent up to now is 253.7 secs Computing kpt #: 305 total cpu time spent up to now is 254.2 secs Computing kpt #: 306 total cpu time spent up to now is 254.8 secs Computing kpt #: 307 total cpu time spent up to now is 255.3 secs Computing kpt #: 308 total cpu time spent up to now is 256.1 secs Computing kpt #: 309 total cpu time spent up to now is 256.9 secs Computing kpt #: 310 total cpu time spent up to now is 257.5 secs Computing kpt #: 311 total cpu time spent up to now is 258.4 secs Computing kpt #: 312 total cpu time spent up to now is 259.2 secs Computing kpt #: 313 total cpu time spent up to now is 259.9 secs Computing kpt #: 314 total cpu time spent up to now is 261.2 secs Computing kpt #: 315 total cpu time spent up to now is 261.7 secs Computing kpt #: 316 total cpu time spent up to now is 262.3 secs Computing kpt #: 317 total cpu time spent up to now is 262.8 secs Computing kpt #: 318 total cpu time spent up to now is 263.4 secs Computing kpt #: 319 total cpu time spent up to now is 264.0 secs Computing kpt #: 320 total cpu time spent up to now is 264.6 secs Computing kpt #: 321 total cpu time spent up to now is 265.3 secs Computing kpt #: 322 total cpu time spent up to now is 266.2 secs Computing kpt #: 323 total cpu time spent up to now is 267.4 secs Computing kpt #: 324 total cpu time spent up to now is 268.2 secs Computing kpt #: 325 total cpu time spent up to now is 268.9 secs Computing kpt #: 326 total cpu time spent up to now is 269.5 secs Computing kpt #: 327 total cpu time spent up to now is 270.1 secs Computing kpt #: 328 total cpu time spent up to now is 270.8 secs Computing kpt #: 329 total cpu time spent up to now is 271.4 secs Computing kpt #: 330 total cpu time spent up to now is 272.0 secs Computing kpt #: 331 total cpu time spent up to now is 272.7 secs Computing kpt #: 332 total cpu time spent up to now is 273.4 secs Computing kpt #: 333 total cpu time spent up to now is 274.1 secs Computing kpt #: 334 total cpu time spent up to now is 274.8 secs Computing kpt #: 335 total cpu time spent up to now is 275.4 secs Computing kpt #: 336 total cpu time spent up to now is 276.1 secs Computing kpt #: 337 total cpu time spent up to now is 276.8 secs Computing kpt #: 338 total cpu time spent up to now is 277.7 secs Computing kpt #: 339 total cpu time spent up to now is 278.4 secs Computing kpt #: 340 total cpu time spent up to now is 279.2 secs Computing kpt #: 341 total cpu time spent up to now is 279.8 secs Computing kpt #: 342 total cpu time spent up to now is 280.6 secs Computing kpt #: 343 total cpu time spent up to now is 281.2 secs Computing kpt #: 344 total cpu time spent up to now is 281.9 secs Computing kpt #: 345 total cpu time spent up to now is 282.5 secs Computing kpt #: 346 total cpu time spent up to now is 283.2 secs Computing kpt #: 347 total cpu time spent up to now is 283.8 secs Computing kpt #: 348 total cpu time spent up to now is 284.5 secs Computing kpt #: 349 total cpu time spent up to now is 285.2 secs Computing kpt #: 350 total cpu time spent up to now is 285.9 secs Computing kpt #: 351 total cpu time spent up to now is 286.5 secs Computing kpt #: 352 total cpu time spent up to now is 287.2 secs Computing kpt #: 353 total cpu time spent up to now is 287.8 secs Computing kpt #: 354 total cpu time spent up to now is 288.4 secs Computing kpt #: 355 total cpu time spent up to now is 289.0 secs Computing kpt #: 356 total cpu time spent up to now is 289.7 secs Computing kpt #: 357 total cpu time spent up to now is 290.7 secs Computing kpt #: 358 total cpu time spent up to now is 291.3 secs Computing kpt #: 359 total cpu time spent up to now is 291.9 secs Computing kpt #: 360 total cpu time spent up to now is 292.5 secs Computing kpt #: 361 total cpu time spent up to now is 293.0 secs Computing kpt #: 362 total cpu time spent up to now is 293.7 secs Computing kpt #: 363 total cpu time spent up to now is 294.3 secs Computing kpt #: 364 total cpu time spent up to now is 295.0 secs Computing kpt #: 365 total cpu time spent up to now is 295.6 secs Computing kpt #: 366 total cpu time spent up to now is 296.3 secs Computing kpt #: 367 total cpu time spent up to now is 296.9 secs Computing kpt #: 368 total cpu time spent up to now is 297.5 secs Computing kpt #: 369 total cpu time spent up to now is 298.1 secs Computing kpt #: 370 total cpu time spent up to now is 298.7 secs Computing kpt #: 371 total cpu time spent up to now is 299.4 secs Computing kpt #: 372 total cpu time spent up to now is 300.1 secs Computing kpt #: 373 total cpu time spent up to now is 300.7 secs Computing kpt #: 374 total cpu time spent up to now is 301.3 secs Computing kpt #: 375 total cpu time spent up to now is 301.9 secs Computing kpt #: 376 total cpu time spent up to now is 302.5 secs Computing kpt #: 377 total cpu time spent up to now is 303.1 secs Computing kpt #: 378 total cpu time spent up to now is 303.8 secs Computing kpt #: 379 total cpu time spent up to now is 304.4 secs Computing kpt #: 380 total cpu time spent up to now is 305.2 secs Computing kpt #: 381 total cpu time spent up to now is 306.2 secs Computing kpt #: 382 total cpu time spent up to now is 306.9 secs Computing kpt #: 383 total cpu time spent up to now is 307.6 secs Computing kpt #: 384 total cpu time spent up to now is 308.2 secs Computing kpt #: 385 total cpu time spent up to now is 308.8 secs Computing kpt #: 386 total cpu time spent up to now is 309.4 secs Computing kpt #: 387 total cpu time spent up to now is 310.2 secs Computing kpt #: 388 total cpu time spent up to now is 310.9 secs Computing kpt #: 389 total cpu time spent up to now is 311.7 secs Computing kpt #: 390 total cpu time spent up to now is 312.7 secs Computing kpt #: 391 total cpu time spent up to now is 313.6 secs Computing kpt #: 392 total cpu time spent up to now is 314.5 secs Computing kpt #: 393 total cpu time spent up to now is 315.3 secs Computing kpt #: 394 total cpu time spent up to now is 315.9 secs Computing kpt #: 395 total cpu time spent up to now is 316.5 secs Computing kpt #: 396 total cpu time spent up to now is 317.1 secs Computing kpt #: 397 total cpu time spent up to now is 317.7 secs Computing kpt #: 398 total cpu time spent up to now is 318.3 secs Computing kpt #: 399 total cpu time spent up to now is 318.8 secs Computing kpt #: 400 total cpu time spent up to now is 319.4 secs Computing kpt #: 401 total cpu time spent up to now is 320.4 secs Computing kpt #: 402 total cpu time spent up to now is 321.5 secs Computing kpt #: 403 total cpu time spent up to now is 322.2 secs Computing kpt #: 404 total cpu time spent up to now is 323.0 secs Computing kpt #: 405 total cpu time spent up to now is 323.8 secs Computing kpt #: 406 total cpu time spent up to now is 324.4 secs Computing kpt #: 407 total cpu time spent up to now is 324.9 secs Computing kpt #: 408 total cpu time spent up to now is 325.4 secs Computing kpt #: 409 total cpu time spent up to now is 326.0 secs Computing kpt #: 410 total cpu time spent up to now is 326.5 secs Computing kpt #: 411 total cpu time spent up to now is 327.1 secs Computing kpt #: 412 total cpu time spent up to now is 327.6 secs Computing kpt #: 413 total cpu time spent up to now is 328.2 secs Computing kpt #: 414 total cpu time spent up to now is 328.8 secs Computing kpt #: 415 total cpu time spent up to now is 329.3 secs Computing kpt #: 416 total cpu time spent up to now is 329.8 secs Computing kpt #: 417 total cpu time spent up to now is 330.4 secs Computing kpt #: 418 total cpu time spent up to now is 331.0 secs Computing kpt #: 419 total cpu time spent up to now is 331.8 secs Computing kpt #: 420 total cpu time spent up to now is 332.4 secs Computing kpt #: 421 total cpu time spent up to now is 333.1 secs Computing kpt #: 422 total cpu time spent up to now is 333.7 secs Computing kpt #: 423 total cpu time spent up to now is 334.3 secs Computing kpt #: 424 total cpu time spent up to now is 334.8 secs Computing kpt #: 425 total cpu time spent up to now is 335.4 secs Computing kpt #: 426 total cpu time spent up to now is 335.9 secs Computing kpt #: 427 total cpu time spent up to now is 336.6 secs Computing kpt #: 428 total cpu time spent up to now is 337.1 secs Computing kpt #: 429 total cpu time spent up to now is 337.7 secs Computing kpt #: 430 total cpu time spent up to now is 338.2 secs Computing kpt #: 431 total cpu time spent up to now is 338.8 secs Computing kpt #: 432 total cpu time spent up to now is 339.4 secs Computing kpt #: 433 total cpu time spent up to now is 340.0 secs Computing kpt #: 434 total cpu time spent up to now is 340.7 secs Computing kpt #: 435 total cpu time spent up to now is 341.2 secs Computing kpt #: 436 total cpu time spent up to now is 341.8 secs Computing kpt #: 437 total cpu time spent up to now is 342.3 secs Computing kpt #: 438 total cpu time spent up to now is 342.9 secs Computing kpt #: 439 total cpu time spent up to now is 343.5 secs Computing kpt #: 440 total cpu time spent up to now is 344.1 secs Computing kpt #: 441 total cpu time spent up to now is 344.7 secs Computing kpt #: 442 total cpu time spent up to now is 345.2 secs Computing kpt #: 443 total cpu time spent up to now is 345.9 secs Computing kpt #: 444 total cpu time spent up to now is 346.6 secs Computing kpt #: 445 total cpu time spent up to now is 347.4 secs Computing kpt #: 446 total cpu time spent up to now is 348.2 secs Computing kpt #: 447 total cpu time spent up to now is 348.9 secs Computing kpt #: 448 total cpu time spent up to now is 349.6 secs Computing kpt #: 449 total cpu time spent up to now is 350.3 secs Computing kpt #: 450 total cpu time spent up to now is 351.0 secs Computing kpt #: 451 total cpu time spent up to now is 351.8 secs Computing kpt #: 452 total cpu time spent up to now is 352.6 secs Computing kpt #: 453 total cpu time spent up to now is 353.3 secs Computing kpt #: 454 total cpu time spent up to now is 354.2 secs Computing kpt #: 455 total cpu time spent up to now is 355.4 secs Computing kpt #: 456 total cpu time spent up to now is 356.4 secs Computing kpt #: 457 total cpu time spent up to now is 357.5 secs Computing kpt #: 458 total cpu time spent up to now is 358.6 secs Computing kpt #: 459 total cpu time spent up to now is 359.5 secs Computing kpt #: 460 total cpu time spent up to now is 360.5 secs Computing kpt #: 461 total cpu time spent up to now is 361.4 secs Computing kpt #: 462 total cpu time spent up to now is 362.3 secs Computing kpt #: 463 total cpu time spent up to now is 363.1 secs Computing kpt #: 464 total cpu time spent up to now is 364.3 secs Computing kpt #: 465 total cpu time spent up to now is 365.2 secs Computing kpt #: 466 total cpu time spent up to now is 365.9 secs Computing kpt #: 467 total cpu time spent up to now is 366.9 secs Computing kpt #: 468 total cpu time spent up to now is 367.6 secs Computing kpt #: 469 total cpu time spent up to now is 368.5 secs Computing kpt #: 470 total cpu time spent up to now is 369.2 secs Computing kpt #: 471 total cpu time spent up to now is 369.9 secs Computing kpt #: 472 total cpu time spent up to now is 370.5 secs Computing kpt #: 473 total cpu time spent up to now is 371.0 secs Computing kpt #: 474 total cpu time spent up to now is 371.7 secs Computing kpt #: 475 total cpu time spent up to now is 372.3 secs Computing kpt #: 476 total cpu time spent up to now is 373.0 secs Computing kpt #: 477 total cpu time spent up to now is 373.5 secs Computing kpt #: 478 total cpu time spent up to now is 374.1 secs Computing kpt #: 479 total cpu time spent up to now is 374.6 secs Computing kpt #: 480 total cpu time spent up to now is 375.1 secs Computing kpt #: 481 total cpu time spent up to now is 375.7 secs Computing kpt #: 482 total cpu time spent up to now is 376.3 secs Computing kpt #: 483 total cpu time spent up to now is 376.8 secs Computing kpt #: 484 total cpu time spent up to now is 377.4 secs Computing kpt #: 485 total cpu time spent up to now is 377.9 secs Computing kpt #: 486 total cpu time spent up to now is 378.4 secs Computing kpt #: 487 total cpu time spent up to now is 378.9 secs Computing kpt #: 488 total cpu time spent up to now is 379.4 secs Computing kpt #: 489 total cpu time spent up to now is 379.9 secs Computing kpt #: 490 total cpu time spent up to now is 380.4 secs Computing kpt #: 491 total cpu time spent up to now is 380.9 secs Computing kpt #: 492 total cpu time spent up to now is 381.6 secs Computing kpt #: 493 total cpu time spent up to now is 382.2 secs Computing kpt #: 494 total cpu time spent up to now is 382.9 secs Computing kpt #: 495 total cpu time spent up to now is 383.8 secs Computing kpt #: 496 total cpu time spent up to now is 384.6 secs Computing kpt #: 497 total cpu time spent up to now is 385.6 secs Computing kpt #: 498 total cpu time spent up to now is 386.7 secs Computing kpt #: 499 total cpu time spent up to now is 387.4 secs Computing kpt #: 500 total cpu time spent up to now is 388.2 secs Computing kpt #: 501 total cpu time spent up to now is 388.8 secs Computing kpt #: 502 total cpu time spent up to now is 389.4 secs Computing kpt #: 503 total cpu time spent up to now is 389.9 secs Computing kpt #: 504 total cpu time spent up to now is 390.4 secs Computing kpt #: 505 total cpu time spent up to now is 391.0 secs Computing kpt #: 506 total cpu time spent up to now is 391.6 secs Computing kpt #: 507 total cpu time spent up to now is 392.2 secs Computing kpt #: 508 total cpu time spent up to now is 392.8 secs Computing kpt #: 509 total cpu time spent up to now is 393.4 secs Computing kpt #: 510 total cpu time spent up to now is 393.9 secs Computing kpt #: 511 total cpu time spent up to now is 394.6 secs Computing kpt #: 512 total cpu time spent up to now is 395.2 secs Computing kpt #: 513 total cpu time spent up to now is 395.9 secs ethr = 6.25E-11, avg # of iterations = 19.4 total cpu time spent up to now is 396.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3225 PWs) bands (ev): -30.7876 -30.7876 -0.9990 -0.9990 8.4605 8.4605 11.5674 11.5674 12.4875 12.4875 12.5963 12.5963 14.0270 14.0270 14.1563 14.1563 17.1720 17.1720 19.2310 19.2310 19.5135 19.5135 22.3740 22.3740 k = 0.0000 0.0000 0.0128 ( 3221 PWs) bands (ev): -30.7876 -30.7876 -0.9978 -0.9977 8.4611 8.4620 11.5660 11.5679 12.4854 12.4874 12.5945 12.5959 14.0250 14.0266 14.1537 14.1600 17.1710 17.1726 19.2238 19.2257 19.5049 19.5076 22.3835 22.3838 k = 0.0000 0.0000 0.0256 ( 3217 PWs) bands (ev): -30.7875 -30.7875 -0.9941 -0.9938 8.4640 8.4658 11.5636 11.5673 12.4810 12.4850 12.5904 12.5932 14.0206 14.0238 14.1520 14.1646 17.1697 17.1729 19.2041 19.2079 19.4822 19.4876 22.4117 22.4122 k = 0.0000 0.0000 0.0385 ( 3221 PWs) bands (ev): -30.7874 -30.7874 -0.9880 -0.9875 8.4692 8.4718 11.5602 11.5657 12.4746 12.4801 12.5844 12.5882 14.0137 14.0186 14.1514 14.1701 17.1680 17.1728 19.1725 19.1781 19.4465 19.4546 22.4564 22.4570 k = 0.0000 0.0000 0.0513 ( 3225 PWs) bands (ev): -30.7872 -30.7872 -0.9793 -0.9788 8.4765 8.4800 11.5556 11.5630 12.4661 12.4727 12.5765 12.5810 14.0043 14.0109 14.1517 14.1766 17.1660 17.1724 19.1299 19.1372 19.3992 19.4099 22.5144 22.5150 k = 0.0000 0.0000 0.0641 ( 3215 PWs) bands (ev): -30.7870 -30.7870 -0.9682 -0.9675 8.4860 8.4904 11.5498 11.5591 12.4556 12.4626 12.5672 12.5718 13.9923 14.0006 14.1531 14.1839 17.1637 17.1716 19.0774 19.0863 19.3420 19.3554 22.5808 22.5813 k = 0.0000 0.0000 0.0769 ( 3217 PWs) bands (ev): -30.7867 -30.7867 -0.9546 -0.9537 8.4977 8.5029 11.5426 11.5539 12.4431 12.4498 12.5565 12.5607 13.9777 13.9879 14.1555 14.1921 17.1612 17.1706 19.0164 19.0267 19.2766 19.2926 22.6499 22.6502 k = 0.0000 0.0000 0.0898 ( 3222 PWs) bands (ev): -30.7864 -30.7864 -0.9385 -0.9375 8.5115 8.5176 11.5338 11.5472 12.4287 12.4345 12.5449 12.5479 13.9604 13.9725 14.1588 14.2010 17.1584 17.1694 18.9483 18.9599 19.2045 19.2233 22.7144 22.7144 k = 0.0000 0.0000 0.1026 ( 3222 PWs) bands (ev): -30.7861 -30.7861 -0.9199 -0.9187 8.5274 8.5345 11.5233 11.5386 12.4127 12.4167 12.5324 12.5337 13.9404 13.9546 14.1629 14.2106 17.1554 17.1679 18.8745 18.8873 19.1273 19.1487 22.7663 22.7665 k = 0.0000 0.0000 0.1154 ( 3222 PWs) bands (ev): -30.7857 -30.7857 -0.8988 -0.8975 8.5454 8.5534 11.5108 11.5281 12.3950 12.3967 12.5182 12.5192 13.9176 13.9340 14.1678 14.2208 17.1522 17.1663 18.7965 18.8105 19.0461 19.0703 22.7988 22.7990 k = 0.0000 0.0000 0.1282 ( 3226 PWs) bands (ev): -30.7852 -30.7852 -0.8753 -0.8739 8.5653 8.5743 11.4959 11.5153 12.3750 12.3761 12.5018 12.5052 13.8922 13.9109 14.1733 14.2313 17.1489 17.1645 18.7155 18.7306 18.9621 18.9890 22.8075 22.8076 k = 0.0000 0.0000 0.1411 ( 3232 PWs) bands (ev): -30.7848 -30.7848 -0.8493 -0.8477 8.5873 8.5972 11.4784 11.4997 12.3522 12.3562 12.4845 12.4906 13.8640 13.8851 14.1793 14.2421 17.1456 17.1626 18.6328 18.6489 18.8763 18.9059 22.7912 22.7919 k = 0.0000 0.0000 0.1539 ( 3236 PWs) bands (ev): -30.7842 -30.7842 -0.8208 -0.8191 8.6111 8.6220 11.4580 11.4811 12.3287 12.3356 12.4665 12.4753 13.8331 13.8567 14.1857 14.2531 17.1422 17.1607 18.5493 18.5664 18.7897 18.8219 22.7527 22.7540 k = 0.0000 0.0000 0.1667 ( 3240 PWs) bands (ev): -30.7837 -30.7837 -0.7898 -0.7880 8.6367 8.6487 11.4342 11.4591 12.3052 12.3149 12.4480 12.4593 13.7995 13.8257 14.1923 14.2640 17.1387 17.1587 18.4658 18.4838 18.7032 18.7380 22.6956 22.6976 k = 0.0000 0.0000 0.1795 ( 3236 PWs) bands (ev): -30.7831 -30.7830 -0.7565 -0.7545 8.6641 8.6771 11.4068 11.4331 12.2823 12.2944 12.4290 12.4426 13.7632 13.7922 14.1990 14.2747 17.1353 17.1567 18.3830 18.4019 18.6176 18.6549 22.6237 22.6264 k = 0.0000 0.0000 0.1924 ( 3232 PWs) bands (ev): -30.7824 -30.7824 -0.7206 -0.7185 8.6932 8.7073 11.3754 11.4030 12.2606 12.2747 12.4096 12.4252 13.7242 13.7560 14.2056 14.2852 17.1319 17.1546 18.3014 18.3213 18.5336 18.5734 22.5402 22.5436 k = 0.0000 0.0000 0.2052 ( 3232 PWs) bands (ev): -30.7817 -30.7817 -0.6823 -0.6801 8.7239 8.7391 11.3399 11.3683 12.2405 12.2559 12.3899 12.4071 13.6827 13.7174 14.2121 14.2951 17.1285 17.1526 18.2216 18.2423 18.4521 18.4942 22.4476 22.4517 k = 0.0000 0.0000 0.2180 ( 3244 PWs) bands (ev): -30.7810 -30.7810 -0.6416 -0.6393 8.7560 8.7724 11.2999 11.3290 12.2226 12.2386 12.3701 12.3882 13.6387 13.6764 14.2183 14.3044 17.1250 17.1505 18.1437 18.1653 18.3737 18.4182 22.3478 22.3525 k = 0.0000 0.0000 0.2308 ( 3244 PWs) bands (ev): -30.7803 -30.7802 -0.5984 -0.5960 8.7895 8.8071 11.2556 11.2848 12.2072 12.2228 12.3502 12.3686 13.5923 13.6330 14.2240 14.3130 17.1215 17.1483 18.0680 18.0904 18.2993 18.3458 22.2423 22.2476 k = 0.0000 0.0000 0.2437 ( 3248 PWs) bands (ev): -30.7795 -30.7795 -0.5529 -0.5504 8.8242 8.8431 11.2068 11.2358 12.1943 12.2085 12.3305 12.3483 13.5437 13.5875 14.2291 14.3206 17.1179 17.1460 17.9947 18.0178 18.2293 18.2778 22.1323 22.1381 k = 0.0000 0.0000 0.2565 ( 3240 PWs) bands (ev): -30.7786 -30.7786 -0.5049 -0.5023 8.8600 8.8803 11.1536 11.1822 12.1841 12.1955 12.3113 12.3273 13.4930 13.5398 14.2335 14.3273 17.1142 17.1435 17.9237 17.9476 18.1646 18.2148 22.0185 22.0249 k = 0.0000 0.0000 0.2693 ( 3242 PWs) bands (ev): -30.7778 -30.7778 -0.4545 -0.4518 8.8968 8.9185 11.0963 11.1242 12.1766 12.1834 12.2931 12.3055 13.4405 13.4904 14.2371 14.3327 17.1101 17.1408 17.8550 17.8797 18.1057 18.1574 21.9018 21.9087 k = 0.0000 0.0000 0.2821 ( 3242 PWs) bands (ev): -30.7769 -30.7769 -0.4017 -0.3990 8.9343 8.9576 11.0351 11.0620 12.1714 12.1716 12.2766 12.2830 13.3865 13.4392 14.2399 14.3369 17.1058 17.1377 17.7886 17.8142 18.0533 18.1061 21.7827 21.7900 k = 0.0000 0.0000 0.2950 ( 3246 PWs) bands (ev): -30.7760 -30.7760 -0.3466 -0.3438 8.9725 8.9974 10.9703 10.9961 12.1585 12.1687 12.2600 12.2627 13.3311 13.3867 14.2416 14.3398 17.1011 17.1343 17.7245 17.7509 18.0077 18.0613 21.6616 21.6695 k = 0.0000 0.0000 0.3078 ( 3246 PWs) bands (ev): -30.7750 -30.7750 -0.2891 -0.2862 9.0110 9.0377 10.9022 10.9267 12.1436 12.1672 12.2370 12.2525 13.2749 13.3330 14.2424 14.3412 17.0959 17.1304 17.6624 17.6897 17.9694 18.0235 21.5390 21.5473 k = 0.0000 0.0000 0.3206 ( 3250 PWs) bands (ev): -30.7741 -30.7741 -0.2292 -0.2263 9.0497 9.0783 10.8311 10.8544 12.1260 12.1651 12.2157 12.2465 13.2182 13.2786 14.2420 14.3412 17.0903 17.1260 17.6024 17.6307 17.9386 17.9927 21.4152 21.4240 k = 0.0000 0.0000 0.3334 ( 3250 PWs) bands (ev): -30.7731 -30.7731 -0.1670 -0.1640 9.0884 9.1190 10.7574 10.7793 12.1056 12.1567 12.2016 12.2445 13.1615 13.2237 14.2405 14.3397 17.0844 17.1213 17.5443 17.5736 17.9154 17.9692 21.2904 21.2997 k = 0.0000 0.0000 0.3463 ( 3242 PWs) bands (ev): -30.7721 -30.7720 -0.1025 -0.0995 9.1268 9.1595 10.6814 10.7019 12.0828 12.1369 12.1995 12.2463 13.1051 13.1688 14.2379 14.3367 17.0782 17.1163 17.4882 17.5185 17.8998 17.9529 21.1650 21.1747 k = 0.0000 0.0000 0.3591 ( 3242 PWs) bands (ev): -30.7710 -30.7710 -0.0357 -0.0326 9.1646 9.1997 10.6034 10.6226 12.0578 12.1098 12.2050 12.2512 13.0498 13.1143 14.2341 14.3322 17.0720 17.1111 17.4339 17.4654 17.8915 17.9437 21.0392 21.0493 k = 0.0000 0.0000 0.3719 ( 3234 PWs) bands (ev): -30.7700 -30.7699 0.0334 0.0365 9.2015 9.2391 10.5238 10.5416 12.0309 12.0791 12.2142 12.2588 12.9958 13.0606 14.2293 14.3262 17.0660 17.1059 17.3815 17.4141 17.8904 17.9413 20.9131 20.9237 k = 0.0000 0.0000 0.3847 ( 3234 PWs) bands (ev): -30.7689 -30.7689 0.1048 0.1079 9.2372 9.2776 10.4428 10.4592 12.0026 12.0458 12.2259 12.2688 12.9439 13.0081 14.2233 14.3189 17.0604 17.1009 17.3308 17.3647 17.8960 17.9455 20.7869 20.7979 k = 0.0000 0.0000 0.3976 ( 3234 PWs) bands (ev): -30.7678 -30.7678 0.1784 0.1815 9.2713 9.3148 10.3608 10.3757 11.9728 12.0102 12.2395 12.2809 12.8946 12.9574 14.2162 14.3101 17.0555 17.0963 17.2819 17.3172 17.9081 17.9560 20.6607 20.6723 k = 0.0000 0.0000 0.4104 ( 3226 PWs) bands (ev): -30.7667 -30.7667 0.2543 0.2573 9.3035 9.3503 10.2780 10.2914 11.9417 11.9724 12.2549 12.2948 12.8482 12.9088 14.2082 14.3002 17.0514 17.0921 17.2346 17.2717 17.9262 17.9723 20.5348 20.5468 k = 0.0000 0.0000 0.4232 ( 3226 PWs) bands (ev): -30.7656 -30.7656 0.3323 0.3353 9.3333 9.3838 10.1946 10.2065 11.9095 11.9326 12.2719 12.3105 12.8052 12.8628 14.1993 14.2890 17.0485 17.0883 17.1889 17.2284 17.9499 17.9941 20.4092 20.4217 k = 0.0000 0.0000 0.4360 ( 3226 PWs) bands (ev): -30.7645 -30.7645 0.4125 0.4155 9.3604 9.4148 10.1109 10.1213 11.8763 11.8909 12.2904 12.3279 12.7659 12.8197 14.1895 14.2768 17.0466 17.0841 17.1449 17.1880 17.9789 18.0210 20.2841 20.2970 k = 0.0000 0.0000 0.4489 ( 3226 PWs) bands (ev): -30.7634 -30.7633 0.4948 0.4978 9.3843 9.4431 10.0273 10.0359 11.8423 11.8477 12.3103 12.3468 12.7305 12.7798 14.1789 14.2636 17.0455 17.0776 17.1030 17.1529 18.0129 18.0528 20.1595 20.1730 k = 0.0000 0.0000 0.4617 ( 3226 PWs) bands (ev): -30.7622 -30.7622 0.5793 0.5822 9.4045 9.4682 9.9439 9.9506 11.8032 11.8078 12.3317 12.3672 12.6991 12.7434 14.1677 14.2496 17.0411 17.0631 17.0673 17.1284 18.0515 18.0891 20.0356 20.0496 k = 0.0000 0.0000 0.4745 ( 3234 PWs) bands (ev): -30.7611 -30.7611 0.6658 0.6686 9.4204 9.4896 9.8613 9.8655 11.7580 11.7729 12.3543 12.3891 12.6717 12.7106 14.1560 14.2349 17.0136 17.0368 17.0575 17.1185 18.0944 18.1296 19.9125 19.9271 k = 0.0000 0.0000 0.4873 ( 3234 PWs) bands (ev): -30.7600 -30.7599 0.7544 0.7571 9.4312 9.5069 9.7799 9.7809 11.7123 11.7380 12.3783 12.4123 12.6483 12.6816 14.1438 14.2197 16.9759 17.0037 17.0607 17.1181 18.1414 18.1741 19.7904 19.8055 k = 0.0000 0.0000 0.5002 ( 3232 PWs) bands (ev): -30.7588 -30.7588 0.8450 0.8476 9.4360 9.5196 9.6972 9.7006 11.6668 11.7032 12.4036 12.4369 12.6287 12.6564 14.1313 14.2040 16.9378 16.9686 17.0671 17.1224 18.1922 18.2223 19.6692 19.6848 k = 0.0000 0.0000 0.5130 ( 3228 PWs) bands (ev): -30.7577 -30.7577 0.9376 0.9401 9.4326 9.5264 9.6153 9.6255 11.6219 11.6690 12.4300 12.4626 12.6129 12.6349 14.1185 14.1880 16.9002 16.9331 17.0756 17.1298 18.2466 18.2739 19.5491 19.5653 k = 0.0000 0.0000 0.5258 ( 3228 PWs) bands (ev): -30.7565 -30.7565 1.0321 1.0344 9.4163 9.5136 9.5490 9.5592 11.5779 11.6355 12.4575 12.4894 12.6005 12.6174 14.1057 14.1718 16.8631 16.8977 17.0860 17.1396 18.3042 18.3288 19.4302 19.4470 k = 0.0000 0.0000 0.5386 ( 3228 PWs) bands (ev): -30.7554 -30.7554 1.1284 1.1306 9.3794 9.4433 9.5092 9.5358 11.5354 11.6028 12.4858 12.5169 12.5917 12.6039 14.0929 14.1557 16.8266 16.8626 17.0983 17.1515 18.3649 18.3866 19.3127 19.3301 k = 0.0000 0.0000 0.5515 ( 3224 PWs) bands (ev): -30.7543 -30.7543 1.2266 1.2286 9.3219 9.3639 9.4760 9.5277 11.4944 11.5712 12.5144 12.5436 12.5868 12.5958 14.0803 14.1396 16.7905 16.8278 17.1124 17.1654 18.4283 18.4470 19.1966 19.2146 k = 0.0000 0.0000 0.5643 ( 3228 PWs) bands (ev): -30.7532 -30.7532 1.3266 1.3284 9.2533 9.2847 9.4498 9.5152 11.4553 11.5407 12.5409 12.5627 12.5876 12.5996 14.0679 14.1237 16.7548 16.7932 17.1283 17.1812 18.4942 18.5098 19.0822 19.1006 k = 0.0000 0.0000 0.5771 ( 3222 PWs) bands (ev): -30.7521 -30.7521 1.4282 1.4298 9.1809 9.2064 9.4238 9.4979 11.4181 11.5112 12.5586 12.5667 12.6007 12.6224 14.0559 14.1082 16.7192 16.7588 17.1460 17.1988 18.5621 18.5743 18.9696 18.9885 k = 0.0000 0.0000 0.5899 ( 3226 PWs) bands (ev): -30.7510 -30.7510 1.5316 1.5329 9.1074 9.1293 9.3955 9.4755 11.3828 11.4827 12.5656 12.5661 12.6277 12.6536 14.0444 14.0932 16.6838 16.7244 17.1654 17.2182 18.6314 18.6397 18.8596 18.8784 k = 0.0000 0.0000 0.6028 ( 3232 PWs) bands (ev): -30.7499 -30.7499 1.6365 1.6375 9.0342 9.0536 9.3639 9.4485 11.3492 11.4551 12.5659 12.5693 12.6607 12.6878 14.0335 14.0787 16.6482 16.6899 17.1864 17.2394 18.6978 18.6994 18.7600 18.7727 k = 0.0000 0.0000 0.6156 ( 3232 PWs) bands (ev): -30.7488 -30.7488 1.7429 1.7436 8.9618 8.9794 9.3289 9.4169 11.3172 11.4281 12.5669 12.5729 12.6964 12.7238 14.0232 14.0649 16.6125 16.6552 17.2092 17.2623 18.6358 18.6596 18.7774 18.7829 k = 0.0000 0.0000 0.6284 ( 3232 PWs) bands (ev): -30.7478 -30.7478 1.8507 1.8511 8.8905 8.9067 9.2906 9.3812 11.2866 11.4016 12.5691 12.5767 12.7339 12.7613 14.0136 14.0519 16.5763 16.6201 17.2336 17.2868 18.5332 18.5567 18.8469 18.8481 k = 0.0000 0.0000 0.6412 ( 3232 PWs) bands (ev): -30.7467 -30.7467 1.9599 1.9600 8.8206 8.8357 9.2492 9.3419 11.2571 11.3753 12.5722 12.5808 12.7730 12.8002 14.0049 14.0397 16.5397 16.5845 17.2595 17.3128 18.4313 18.4551 18.9131 18.9158 k = 0.0000 0.0000 0.6540 ( 3222 PWs) bands (ev): -30.7457 -30.7457 2.0700 2.0703 8.7522 8.7664 9.2051 9.2992 11.2284 11.3490 12.5758 12.5851 12.8134 12.8404 13.9970 14.0284 16.5023 16.5481 17.2870 17.3404 18.3317 18.3559 18.9747 18.9813 k = 0.0000 0.0000 0.6669 ( 3222 PWs) bands (ev): -30.7447 -30.7447 2.1812 2.1818 8.6854 8.6989 9.1585 9.2536 11.2001 11.3225 12.5798 12.5892 12.8552 12.8820 13.9899 14.0181 16.4640 16.5107 17.3160 17.3695 18.2348 18.2594 19.0303 19.0408 k = 0.0000 0.0000 0.6797 ( 3222 PWs) bands (ev): -30.7437 -30.7437 2.2933 2.2943 8.6203 8.6332 9.1098 9.2055 11.1722 11.2956 12.5837 12.5929 12.8982 12.9248 13.9836 14.0087 16.4246 16.4722 17.3463 17.3998 18.1409 18.1658 19.0760 19.0907 k = 0.0000 0.0000 0.6925 ( 3220 PWs) bands (ev): -30.7428 -30.7428 2.4063 2.4078 8.5571 8.5694 9.0595 9.1554 11.1441 11.2680 12.5873 12.5960 12.9425 12.9690 13.9782 14.0002 16.3840 16.4324 17.3779 17.4314 18.0502 18.0753 19.1075 19.1264 k = 0.0000 0.0000 0.7053 ( 3212 PWs) bands (ev): -30.7418 -30.7418 2.5200 2.5220 8.4957 8.5075 9.0077 9.1037 11.1158 11.2395 12.5903 12.5983 12.9881 13.0144 13.9735 13.9927 16.3418 16.3910 17.4108 17.4639 17.9632 17.9881 19.1195 19.1426 k = 0.0000 0.0000 0.7182 ( 3220 PWs) bands (ev): -30.7410 -30.7410 2.6343 2.6368 8.4362 8.4476 8.9549 9.0506 11.0869 11.2101 12.5926 12.5997 13.0349 13.0610 13.9696 13.9860 16.2980 16.3478 17.4448 17.4971 17.8802 17.9045 19.1079 19.1346 k = 0.0000 0.0000 0.7310 ( 3220 PWs) bands (ev): -30.7401 -30.7401 2.7490 2.7520 8.3787 8.3898 8.9012 8.9964 11.0574 11.1796 12.5939 12.6000 13.0829 13.1089 13.9662 13.9801 16.2524 16.3026 17.4797 17.5305 17.8018 17.8246 19.0711 19.1007 k = 0.0000 0.0000 0.7438 ( 3216 PWs) bands (ev): -30.7392 -30.7392 2.8640 2.8675 8.3233 8.3340 8.8471 8.9416 11.0271 11.1479 12.5942 12.5993 13.1322 13.1581 13.9634 13.9749 16.2047 16.2553 17.5154 17.5624 17.7297 17.7485 19.0116 19.0431 k = 0.0000 0.0000 0.7566 ( 3228 PWs) bands (ev): -30.7384 -30.7384 2.9790 2.9830 8.2699 8.2803 8.7927 8.8862 10.9959 11.1149 12.5934 12.5974 13.1826 13.2084 13.9609 13.9703 16.1549 16.2057 17.5517 17.5844 17.6722 17.6766 18.9348 18.9674 k = 0.0000 0.0000 0.7695 ( 3224 PWs) bands (ev): -30.7376 -30.7376 3.0938 3.0984 8.2186 8.2288 8.7382 8.8306 10.9636 11.0806 12.5915 12.5944 13.2342 13.2600 13.9587 13.9662 16.1029 16.1536 17.5620 17.5881 17.6090 17.6638 18.8468 18.8797 k = 0.0000 0.0000 0.7823 ( 3224 PWs) bands (ev): -30.7369 -30.7369 3.2082 3.2134 8.1695 8.1794 8.6838 8.7750 10.9304 11.0450 12.5885 12.5904 13.2869 13.3127 13.9567 13.9625 16.0486 16.0991 17.5085 17.5450 17.6253 17.6910 18.7530 18.7858 k = 0.0000 0.0000 0.7951 ( 3212 PWs) bands (ev): -30.7361 -30.7361 3.3219 3.3277 8.1225 8.1323 8.6298 8.7195 10.8962 11.0081 12.5844 12.5855 13.3408 13.3667 13.9548 13.9590 15.9920 16.0420 17.4530 17.4857 17.6617 17.7243 18.6574 18.6900 k = 0.0000 0.0000 0.8079 ( 3218 PWs) bands (ev): -30.7354 -30.7354 3.4347 3.4410 8.0778 8.0874 8.5764 8.6644 10.8612 10.9700 12.5795 12.5797 13.3958 13.4217 13.9529 13.9558 15.9331 15.9826 17.4003 17.4307 17.6975 17.7584 18.5633 18.5955 k = 0.0000 0.0000 0.8208 ( 3218 PWs) bands (ev): -30.7348 -30.7348 3.5461 3.5530 8.0352 8.0447 8.5236 8.6096 10.8254 10.9310 12.5733 12.5738 13.4519 13.4779 13.9509 13.9526 15.8721 15.9207 17.3513 17.3798 17.7321 17.7918 18.4731 18.5047 k = 0.0000 0.0000 0.8336 ( 3214 PWs) bands (ev): -30.7341 -30.7341 3.6559 3.6634 7.9950 8.0043 8.4717 8.5555 10.7890 10.8910 12.5663 12.5675 13.5090 13.5351 13.9488 13.9495 15.8090 15.8567 17.3063 17.3330 17.7646 17.8231 18.3886 18.4197 k = 0.0000 0.0000 0.8464 ( 3214 PWs) bands (ev): -30.7335 -30.7335 3.7637 3.7717 7.9570 7.9662 8.4209 8.5022 10.7524 10.8504 12.5589 12.5607 13.5670 13.5934 13.9463 13.9465 15.7441 15.7907 17.2652 17.2902 17.7939 17.8510 18.3119 18.3421 k = 0.0000 0.0000 0.8592 ( 3210 PWs) bands (ev): -30.7330 -30.7330 3.8690 3.8775 7.9213 7.9304 8.3713 8.4498 10.7156 10.8094 12.5513 12.5535 13.6260 13.6526 13.9432 13.9442 15.6775 15.7230 17.2280 17.2511 17.8183 17.8731 18.2456 18.2742 k = 0.0000 0.0000 0.8721 ( 3216 PWs) bands (ev): -30.7324 -30.7324 3.9714 3.9804 7.8879 7.8969 8.3232 8.3985 10.6792 10.7684 12.5436 12.5461 13.6857 13.7127 13.9401 13.9418 15.6095 15.6537 17.1944 17.2158 17.8353 17.8857 18.1934 18.2184 k = 0.0000 0.0000 0.8849 ( 3212 PWs) bands (ev): -30.7320 -30.7319 4.0704 4.0796 7.8568 7.8657 8.2768 8.3486 10.6433 10.7276 12.5360 12.5387 13.7459 13.7735 13.9370 13.9396 15.5404 15.5833 17.1642 17.1839 17.8419 17.8848 18.1594 18.1778 k = 0.0000 0.0000 0.8977 ( 3208 PWs) bands (ev): -30.7315 -30.7315 4.1654 4.1748 7.8281 7.8369 8.2324 8.3002 10.6086 10.6875 12.5285 12.5314 13.8060 13.8346 13.9345 13.9381 15.4704 15.5119 17.1373 17.1552 17.8358 17.8684 18.1451 18.1544 k = 0.0000 0.0000 0.9105 ( 3212 PWs) bands (ev): -30.7311 -30.7311 4.2557 4.2653 7.8018 7.8104 8.1902 8.2536 10.5752 10.6485 12.5214 12.5243 13.8639 13.8935 13.9346 13.9395 15.4000 15.4400 17.1135 17.1296 17.8181 17.8406 18.1464 18.1470 k = 0.0000 0.0000 0.9234 ( 3204 PWs) bands (ev): -30.7307 -30.7307 4.3408 4.3503 7.7779 7.7862 8.1506 8.2092 10.5438 10.6111 12.5147 12.5175 13.9061 13.9210 13.9570 13.9668 15.3293 15.3679 17.0926 17.1070 17.7927 17.8074 18.1512 18.1568 k = 0.0000 0.0000 0.9362 ( 3206 PWs) bands (ev): -30.7304 -30.7304 4.4199 4.4292 7.7564 7.7644 8.1139 8.1673 10.5147 10.5756 12.5084 12.5112 13.9162 13.9208 14.0070 14.0270 15.2589 15.2959 17.0744 17.0871 17.7641 17.7735 18.1622 18.1714 k = 0.0000 0.0000 0.9490 ( 3206 PWs) bands (ev): -30.7301 -30.7301 4.4923 4.5011 7.7374 7.7450 8.0806 8.1283 10.4883 10.5425 12.5028 12.5054 13.9165 13.9185 14.0668 14.0892 15.1893 15.2246 17.0588 17.0698 17.7355 17.7416 18.1764 18.1872 k = 0.0000 0.0000 0.9618 ( 3204 PWs) bands (ev): -30.7298 -30.7298 4.5573 4.5654 7.7209 7.7279 8.0511 8.0927 10.4651 10.5122 12.4979 12.5002 13.9151 13.9162 14.1281 14.1512 15.1211 15.1545 17.0456 17.0549 17.7091 17.7129 18.1915 18.2025 k = 0.0000 0.0000 0.9747 ( 3208 PWs) bands (ev): -30.7296 -30.7296 4.6141 4.6213 7.7069 7.7132 8.0257 8.0609 10.4454 10.4852 12.4936 12.4957 13.9134 13.9139 14.1888 14.2116 15.0553 15.0865 17.0347 17.0425 17.6858 17.6881 18.2060 18.2162 k = 0.0000 0.0000 0.9875 ( 3208 PWs) bands (ev): -30.7294 -30.7294 4.6619 4.6680 7.6956 7.7010 8.0050 8.0334 10.4296 10.4618 12.4901 12.4918 13.9117 13.9120 14.2474 14.2692 14.9934 15.0218 17.0261 17.0323 17.6663 17.6677 18.2191 18.2278 k = 0.0000 0.0000 1.0003 ( 3212 PWs) bands (ev): -30.7293 -30.7293 4.7001 4.7049 7.6869 7.6912 7.9892 8.0107 10.4180 10.4423 12.4875 12.4887 13.9103 13.9104 14.3019 14.3215 14.9378 14.9624 17.0196 17.0242 17.6509 17.6517 18.2300 18.2369 k = 0.0000 0.0000 1.0131 ( 3212 PWs) bands (ev): -30.7292 -30.7292 4.7281 4.7314 7.6809 7.6839 7.9787 7.9931 10.4107 10.4270 12.4856 12.4865 13.9092 13.9093 14.3490 14.3647 14.8926 14.9114 17.0153 17.0183 17.6398 17.6402 18.2385 18.2432 k = 0.0000 0.0000 1.0260 ( 3208 PWs) bands (ev): -30.7291 -30.7291 4.7455 4.7472 7.6776 7.6791 7.9738 7.9810 10.4079 10.4161 12.4846 12.4850 13.9086 13.9086 14.3838 14.3928 14.8635 14.8740 17.0130 17.0145 17.6331 17.6333 18.2441 18.2465 k = 0.0000 0.0000 1.0388 ( 3212 PWs) bands (ev): -30.7291 -30.7291 4.7519 4.7519 7.6770 7.6770 7.9745 7.9745 10.4097 10.4097 12.4844 12.4844 13.9083 13.9083 14.3998 14.3998 14.8566 14.8566 17.0127 17.0127 17.6310 17.6310 18.2468 18.2468 k = 0.0000 0.0000 1.0388 ( 3212 PWs) bands (ev): -30.7291 -30.7291 4.7519 4.7519 7.6770 7.6770 7.9745 7.9745 10.4097 10.4097 12.4844 12.4844 13.9083 13.9083 14.3998 14.3998 14.8566 14.8566 17.0127 17.0127 17.6310 17.6310 18.2468 18.2468 k =-0.0058 0.0106 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7475 4.7480 7.6783 7.6825 7.9755 7.9758 10.4071 10.4113 12.4843 12.4852 13.9065 13.9082 14.3943 14.3967 14.8561 14.8562 17.0010 17.0030 17.6343 17.6453 18.2553 18.2654 k =-0.0116 0.0211 1.0388 ( 3210 PWs) bands (ev): -30.7292 -30.7292 4.7349 4.7358 7.6861 7.6946 7.9786 7.9792 10.4036 10.4119 12.4851 12.4868 13.9027 13.9060 14.3803 14.3850 14.8544 14.8548 16.9697 16.9736 17.6549 17.6758 18.2903 18.3098 k =-0.0174 0.0317 1.0388 ( 3210 PWs) bands (ev): -30.7292 -30.7292 4.7143 4.7155 7.7004 7.7131 7.9839 7.9849 10.3990 10.4116 12.4867 12.4891 13.8970 13.9015 14.3588 14.3650 14.8518 14.8523 16.9233 16.9290 17.6908 17.7203 18.3491 18.3767 k =-0.0232 0.0422 1.0388 ( 3210 PWs) bands (ev): -30.7294 -30.7294 4.6859 4.6875 7.7209 7.7377 7.9915 7.9929 10.3934 10.4101 12.4891 12.4923 13.8893 13.8943 14.3306 14.3375 14.8481 14.8490 16.8666 16.8740 17.7402 17.7767 18.4283 18.4627 k =-0.0290 0.0528 1.0388 ( 3214 PWs) bands (ev): -30.7295 -30.7295 4.6503 4.6521 7.7470 7.7679 8.0014 8.0031 10.3866 10.4075 12.4922 12.4963 13.8795 13.8841 14.2970 14.3035 14.8435 14.8446 16.8035 16.8130 17.8014 17.8437 18.5242 18.5643 k =-0.0348 0.0634 1.0388 ( 3214 PWs) bands (ev): -30.7297 -30.7297 4.6078 4.6097 7.7783 7.8032 8.0137 8.0159 10.3785 10.4036 12.4961 12.5010 13.8674 13.8703 14.2597 14.2642 14.8379 14.8395 16.7372 16.7489 17.8735 17.9207 18.6336 18.6784 k =-0.0406 0.0739 1.0388 ( 3218 PWs) bands (ev): -30.7299 -30.7299 4.5590 4.5610 7.8142 7.8428 8.0286 8.0312 10.3690 10.3983 12.5008 12.5065 13.8523 13.8526 14.2204 14.2211 14.8314 14.8334 16.6699 16.6839 17.9555 18.0068 18.7540 18.8027 k =-0.0464 0.0845 1.0388 ( 3218 PWs) bands (ev): -30.7302 -30.7302 4.5044 4.5063 7.8537 7.8859 8.0465 8.0495 10.3578 10.3913 12.5062 12.5128 13.8292 13.8346 14.1759 14.1809 14.8241 14.8266 16.6029 16.6195 18.0467 18.1015 18.8834 18.9353 k =-0.0522 0.0950 1.0388 ( 3210 PWs) bands (ev): -30.7304 -30.7304 4.4445 4.4462 7.8961 7.9314 8.0682 8.0710 10.3449 10.3826 12.5124 12.5198 13.8004 13.8128 14.1301 14.1430 14.8161 14.8191 16.5375 16.5567 18.1465 18.2043 19.0201 19.0748 k =-0.0580 0.1056 1.0388 ( 3218 PWs) bands (ev): -30.7308 -30.7308 4.3799 4.3813 7.9402 7.9776 8.0947 8.0966 10.3300 10.3719 12.5192 12.5275 13.7654 13.7865 14.0858 14.1082 14.8073 14.8109 16.4744 16.4962 18.2542 18.3147 19.1629 19.2200 k =-0.0638 0.1162 1.0388 ( 3224 PWs) bands (ev): -30.7311 -30.7311 4.3109 4.3120 7.9846 8.0222 8.1271 8.1279 10.3130 10.3590 12.5268 12.5358 13.7246 13.7550 14.0444 14.0770 14.7978 14.8020 16.4141 16.4383 18.3693 18.4320 19.3110 19.3701 k =-0.0696 0.1267 1.0388 ( 3220 PWs) bands (ev): -30.7315 -30.7315 4.2382 4.2389 8.0279 8.0629 8.1635 8.1696 10.2936 10.3438 12.5350 12.5449 13.6788 13.7183 14.0071 14.0497 14.7878 14.7927 16.3569 16.3835 18.4912 18.5560 19.4634 19.5243 k =-0.0754 0.1373 1.0388 ( 3216 PWs) bands (ev): -30.7319 -30.7319 4.1621 4.1623 8.0689 8.0995 8.2066 8.2199 10.2718 10.3260 12.5438 12.5546 13.6293 13.6766 13.9743 14.0257 14.7773 14.7829 16.3031 16.3319 18.6195 18.6860 19.6196 19.6820 k =-0.0754 0.1373 1.0388 ( 3216 PWs) bands (ev): -30.7319 -30.7319 4.1621 4.1623 8.0689 8.0995 8.2066 8.2199 10.2718 10.3260 12.5438 12.5546 13.6293 13.6766 13.9743 14.0257 14.7773 14.7829 16.3031 16.3319 18.6195 18.6860 19.6196 19.6820 k =-0.0797 0.1452 1.0298 ( 3218 PWs) bands (ev): -30.7322 -30.7322 4.1015 4.1023 8.0829 8.1068 8.2581 8.2798 10.2552 10.3130 12.5512 12.5626 13.5900 13.6423 13.9515 14.0085 14.7712 14.7772 16.2657 16.2961 18.7201 18.7878 19.7377 19.8011 k =-0.0841 0.1531 1.0208 ( 3216 PWs) bands (ev): -30.7326 -30.7326 4.0372 4.0387 8.0762 8.0933 8.3318 8.3616 10.2406 10.3029 12.5595 12.5716 13.5485 13.6049 13.9292 13.9911 14.7681 14.7745 16.2314 16.2633 18.8253 18.8942 19.8559 19.9201 k =-0.0884 0.1610 1.0118 ( 3217 PWs) bands (ev): -30.7330 -30.7330 3.9699 3.9722 8.0602 8.0720 8.4148 8.4516 10.2285 10.2961 12.5688 12.5817 13.5054 13.5646 13.9079 13.9738 14.7674 14.7741 16.2003 16.2336 18.9350 19.0048 19.9739 20.0387 k =-0.0927 0.1688 1.0028 ( 3219 PWs) bands (ev): -30.7334 -30.7334 3.9002 3.9032 8.0392 8.0463 8.5016 8.5448 10.2195 10.2933 12.5791 12.5929 13.4609 13.5219 13.8881 13.9570 14.7685 14.7754 16.1725 16.2073 19.0487 19.1194 20.0912 20.1564 k =-0.0970 0.1767 0.9938 ( 3219 PWs) bands (ev): -30.7339 -30.7339 3.8286 3.8323 8.0145 8.0175 8.5895 8.6390 10.2144 10.2950 12.5905 12.6051 13.4155 13.4773 13.8698 13.9407 14.7709 14.7780 16.1484 16.1844 19.1660 19.2375 20.2075 20.2727 k =-0.1014 0.1846 0.9848 ( 3217 PWs) bands (ev): -30.7344 -30.7343 3.7557 3.7601 7.9855 7.9873 8.6766 8.7323 10.2140 10.3019 12.6028 12.6186 13.3696 13.4312 13.8530 13.9252 14.7742 14.7816 16.1281 16.1653 19.2867 19.3589 20.3221 20.3871 k =-0.1057 0.1925 0.9758 ( 3219 PWs) bands (ev): -30.7349 -30.7349 3.6818 3.6868 7.9516 7.9569 8.7614 8.8232 10.2193 10.3147 12.6161 12.6332 13.3234 13.3841 13.8376 13.9105 14.7782 14.7860 16.1117 16.1500 19.4102 19.4830 20.4346 20.4990 k =-0.1100 0.2004 0.9668 ( 3221 PWs) bands (ev): -30.7354 -30.7354 3.6074 3.6130 7.9152 7.9243 8.8425 8.9099 10.2314 10.3342 12.6303 12.6489 13.2773 13.3365 13.8236 13.8965 14.7826 14.7909 16.0996 16.1389 19.5362 19.6096 20.5445 20.6078 k =-0.1144 0.2083 0.9578 ( 3223 PWs) bands (ev): -30.7360 -30.7360 3.5327 3.5388 7.8767 7.8893 8.9185 8.9909 10.2513 10.3610 12.6454 12.6656 13.2315 13.2887 13.8107 13.8833 14.7873 14.7961 16.0919 16.1321 19.6642 19.7380 20.6512 20.7130 k =-0.1187 0.2162 0.9488 ( 3219 PWs) bands (ev): -30.7366 -30.7366 3.4580 3.4647 7.8362 7.8523 8.9885 9.0648 10.2800 10.3956 12.6612 12.6834 13.1863 13.2410 13.7989 13.8709 14.7923 14.8017 16.0890 16.1299 19.7935 19.8676 20.7544 20.8138 k =-0.1230 0.2241 0.9398 ( 3215 PWs) bands (ev): -30.7372 -30.7372 3.3836 3.3908 7.7939 7.8134 9.0515 9.1305 10.3182 10.4383 12.6775 12.7021 13.1418 13.1937 13.7880 13.8593 14.7975 14.8074 16.0911 16.1326 19.9234 19.9976 20.8535 20.9099 k =-0.1274 0.2320 0.9308 ( 3213 PWs) bands (ev): -30.7378 -30.7378 3.3098 3.3174 7.7500 7.7727 9.1072 9.1872 10.3660 10.4891 12.6942 12.7215 13.0983 13.1469 13.7781 13.8484 14.8027 14.8133 16.0987 16.1406 20.0529 20.1271 20.9483 21.0010 k =-0.1317 0.2399 0.9218 ( 3211 PWs) bands (ev): -30.7384 -30.7384 3.2367 3.2448 7.7047 7.7304 9.1553 9.2348 10.4231 10.5475 12.7108 12.7415 13.0562 13.1010 13.7690 13.8383 14.8080 14.8193 16.1119 16.1541 20.1811 20.2548 21.0392 21.0870 k =-0.1360 0.2477 0.9128 ( 3216 PWs) bands (ev): -30.7391 -30.7391 3.1644 3.1730 7.6580 7.6866 9.1962 9.2737 10.4887 10.6128 12.7268 12.7617 13.0158 13.0563 13.7607 13.8289 14.8134 14.8253 16.1311 16.1735 20.3062 20.3791 21.1266 21.1683 k =-0.1404 0.2556 0.9038 ( 3213 PWs) bands (ev): -30.7398 -30.7398 3.0932 3.1022 7.6104 7.6416 9.2303 9.3048 10.5615 10.6841 12.7413 12.7817 12.9782 13.0133 13.7532 13.8202 14.8187 14.8314 16.1569 16.1992 20.4263 20.4977 21.2117 21.2462 k =-0.1447 0.2635 0.8948 ( 3213 PWs) bands (ev): -30.7405 -30.7404 3.0232 3.0326 7.5618 7.5956 9.2582 9.3290 10.6401 10.7601 12.7526 12.8002 12.9445 12.9732 13.7464 13.8122 14.8240 14.8374 16.1894 16.2316 20.5389 20.6080 21.2966 21.3225 k =-0.1490 0.2714 0.8858 ( 3211 PWs) bands (ev): -30.7411 -30.7411 2.9545 2.9642 7.5126 7.5488 9.2809 9.3476 10.7227 10.8397 12.7578 12.8149 12.9171 12.9390 13.7403 13.8048 14.8293 14.8434 16.2292 16.2710 20.6410 20.7068 21.3835 21.4003 k =-0.1534 0.2793 0.8768 ( 3213 PWs) bands (ev): -30.7418 -30.7418 2.8873 2.8973 7.4629 7.5013 9.2989 9.3616 10.8081 10.9217 12.7532 12.8184 12.8995 12.9177 13.7349 13.7982 14.8343 14.8493 16.2764 16.3179 20.7293 20.7913 21.4733 21.4841 k =-0.1577 0.2872 0.8678 ( 3219 PWs) bands (ev): -30.7426 -30.7425 2.8215 2.8319 7.4130 7.4533 9.3131 9.3719 10.8948 11.0049 12.7373 12.8024 12.8964 12.9142 13.7301 13.7922 14.8393 14.8551 16.3316 16.3725 20.8015 20.8593 21.5648 21.5800 k =-0.1620 0.2951 0.8588 ( 3225 PWs) bands (ev): -30.7433 -30.7432 2.7574 2.7681 7.3630 7.4052 9.3240 9.3794 10.9818 11.0885 12.7129 12.7727 12.9036 12.9237 13.7260 13.7868 14.8440 14.8607 16.3950 16.4352 20.8566 20.9102 21.6617 21.6860 k =-0.1664 0.3030 0.8497 ( 3225 PWs) bands (ev): -30.7440 -30.7439 2.6949 2.7060 7.3130 7.3569 9.3322 9.3846 11.0680 11.1715 12.6840 12.7384 12.9151 12.9389 13.7226 13.7821 14.8485 14.8662 16.4668 16.5062 20.8953 20.9451 21.7658 21.7988 k =-0.1707 0.3109 0.8407 ( 3225 PWs) bands (ev): -30.7447 -30.7446 2.6342 2.6455 7.2634 7.3088 9.3382 9.3882 11.1528 11.2533 12.6531 12.7032 12.9283 12.9559 13.7198 13.7779 14.8526 14.8714 16.5473 16.5858 20.9195 20.9660 21.8758 21.9160 k =-0.1750 0.3188 0.8317 ( 3225 PWs) bands (ev): -30.7454 -30.7453 2.5753 2.5869 7.2142 7.2610 9.3424 9.3904 11.2356 11.3333 12.6217 12.6682 12.9419 12.9729 13.7177 13.7744 14.8565 14.8764 16.6364 16.6741 20.9318 20.9753 21.9891 22.0350 k =-0.1794 0.3267 0.8227 ( 3227 PWs) bands (ev): -30.7461 -30.7460 2.5183 2.5302 7.1656 7.2138 9.3451 9.3916 11.3158 11.4109 12.5905 12.6341 12.9553 12.9891 13.7163 13.7714 14.8601 14.8810 16.7343 16.7712 20.9345 20.9754 22.1032 22.1534 k =-0.1837 0.3345 0.8137 ( 3227 PWs) bands (ev): -30.7467 -30.7467 2.4633 2.4754 7.1178 7.1671 9.3465 9.3921 11.3930 11.4858 12.5599 12.6011 12.9679 13.0042 13.7155 13.7690 14.8633 14.8854 16.8409 16.8769 20.9296 20.9682 22.2153 22.2689 k =-0.1880 0.3424 0.8047 ( 3229 PWs) bands (ev): -30.7474 -30.7474 2.4102 2.4225 7.0709 7.1213 9.3469 9.3919 11.4671 11.5577 12.5304 12.5695 12.9794 13.0178 13.7153 13.7672 14.8661 14.8895 16.9561 16.9913 20.9189 20.9554 22.3232 22.3792 k =-0.1924 0.3503 0.7957 ( 3229 PWs) bands (ev): -30.7481 -30.7481 2.3591 2.3717 7.0251 7.0764 9.3466 9.3913 11.5378 11.6264 12.5021 12.5393 12.9896 13.0297 13.7157 13.7658 14.8687 14.8932 17.0795 17.1141 20.9038 20.9384 22.4245 22.4827 k =-0.1967 0.3582 0.7867 ( 3233 PWs) bands (ev): -30.7487 -30.7487 2.3101 2.3229 6.9804 7.0327 9.3456 9.3903 11.6049 11.6916 12.4752 12.5108 12.9984 13.0399 13.7168 13.7649 14.8709 14.8966 17.2110 17.2450 20.8852 20.9184 22.5175 22.5776 k =-0.2010 0.3661 0.7777 ( 3231 PWs) bands (ev): -30.7494 -30.7493 2.2632 2.2762 6.9371 6.9901 9.3442 9.3890 11.6683 11.7533 12.4499 12.4841 13.0057 13.0482 13.7183 13.7645 14.8727 14.8997 17.3501 17.3836 20.8643 20.8961 22.6007 22.6627 k =-0.2054 0.3740 0.7687 ( 3224 PWs) bands (ev): -30.7500 -30.7499 2.2184 2.2316 6.8953 6.9490 9.3423 9.3875 11.7278 11.8111 12.4266 12.4594 13.0114 13.0547 13.7204 13.7645 14.8743 14.9025 17.4964 17.5296 20.8416 20.8723 22.6733 22.7373 k =-0.2097 0.3819 0.7597 ( 3224 PWs) bands (ev): -30.7506 -30.7505 2.1758 2.1891 6.8549 6.9093 9.3402 9.3858 11.7834 11.8650 12.4054 12.4369 13.0156 13.0593 13.7229 13.7648 14.8756 14.9050 17.6493 17.6824 20.8178 20.8477 22.7347 22.8008 k =-0.2140 0.3898 0.7507 ( 3230 PWs) bands (ev): -30.7512 -30.7511 2.1353 2.1488 6.8163 6.8712 9.3379 9.3841 11.8349 11.9145 12.3868 12.4168 13.0183 13.0622 13.7258 13.7655 14.8766 14.9071 17.8082 17.8414 20.7933 20.8226 22.7851 22.8531 k =-0.2184 0.3977 0.7417 ( 3230 PWs) bands (ev): -30.7517 -30.7517 2.0971 2.1107 6.7793 6.8347 9.3355 9.3822 11.8819 11.9592 12.3713 12.3996 13.0194 13.0633 13.7290 13.7665 14.8774 14.9090 17.9725 18.0060 20.7687 20.7976 22.8245 22.8945 k =-0.2227 0.4056 0.7327 ( 3226 PWs) bands (ev): -30.7522 -30.7522 2.0611 2.0749 6.7442 6.8001 9.3330 9.3803 11.9242 11.9986 12.3595 12.3857 13.0192 13.0627 13.7325 13.7677 14.8779 14.9107 18.1414 18.1755 20.7441 20.7730 22.8535 22.9251 k =-0.2270 0.4134 0.7237 ( 3230 PWs) bands (ev): -30.7527 -30.7527 2.0273 2.0412 6.7110 6.7673 9.3305 9.3784 11.9614 12.0320 12.3523 12.3756 13.0177 13.0607 13.7362 13.7690 14.8783 14.9121 18.3143 18.3490 20.7200 20.7490 22.8724 22.9453 k =-0.2314 0.4213 0.7147 ( 3228 PWs) bands (ev): -30.7532 -30.7532 1.9958 2.0098 6.6798 6.7364 9.3280 9.3765 11.9931 12.0585 12.3504 12.3698 13.0150 13.0572 13.7401 13.7706 14.8786 14.9133 18.4900 18.5258 20.6965 20.7258 22.8816 22.9553 k =-0.2357 0.4292 0.7057 ( 3228 PWs) bands (ev): -30.7537 -30.7536 1.9665 1.9807 6.6507 6.7076 9.3255 9.3746 12.0189 12.0778 12.3541 12.3688 13.0113 13.0524 13.7440 13.7721 14.8787 14.9143 18.6677 18.7047 20.6738 20.7038 22.8814 22.9556 k =-0.2400 0.4371 0.6967 ( 3224 PWs) bands (ev): -30.7541 -30.7540 1.9396 1.9538 6.6236 6.6808 9.3232 9.3728 12.0387 12.0902 12.3629 12.3731 13.0067 13.0465 13.7480 13.7737 14.8787 14.9152 18.8463 18.8847 20.6521 20.6831 22.8721 22.9462 k =-0.2444 0.4450 0.6877 ( 3222 PWs) bands (ev): -30.7544 -30.7544 1.9149 1.9293 6.5988 6.6562 9.3210 9.3711 12.0528 12.0968 12.3749 12.3831 13.0014 13.0397 13.7519 13.7753 14.8786 14.9159 19.0243 19.0646 20.6315 20.6637 22.8539 22.9276 k =-0.2487 0.4529 0.6787 ( 3222 PWs) bands (ev): -30.7548 -30.7547 1.8926 1.9070 6.5761 6.6338 9.3189 9.3695 12.0620 12.0989 12.3884 12.3983 12.9957 13.0320 13.7558 13.7768 14.8784 14.9164 19.2003 19.2426 20.6120 20.6459 22.8273 22.9001 k =-0.2530 0.4608 0.6697 ( 3226 PWs) bands (ev): -30.7551 -30.7551 1.8726 1.8871 6.5557 6.6136 9.3169 9.3680 12.0673 12.0982 12.4035 12.4160 12.9896 13.0238 13.7594 13.7782 14.8782 14.9169 19.3726 19.4172 20.5938 20.6297 22.7929 22.8644 k =-0.2574 0.4687 0.6607 ( 3234 PWs) bands (ev): -30.7554 -30.7554 1.8549 1.8695 6.5377 6.5956 9.3152 9.3666 12.0697 12.0957 12.4196 12.4342 12.9836 13.0152 13.7630 13.7794 14.8780 14.9172 19.5388 19.5860 20.5769 20.6150 22.7517 22.8214 k =-0.2617 0.4766 0.6517 ( 3230 PWs) bands (ev): -30.7556 -30.7556 1.8396 1.8542 6.5219 6.5800 9.3137 9.3654 12.0703 12.0924 12.4360 12.4515 12.9779 13.0064 13.7662 13.7804 14.8778 14.9175 19.6966 19.7465 20.5612 20.6019 22.7052 22.7729 k =-0.2660 0.4845 0.6427 ( 3234 PWs) bands (ev): -30.7558 -30.7558 1.8266 1.8413 6.5086 6.5668 9.3123 9.3644 12.0697 12.0889 12.4518 12.4672 12.9728 12.9978 13.7692 13.7812 14.8775 14.9177 19.8428 19.8953 20.5467 20.5900 22.6557 22.7211 k =-0.2704 0.4923 0.6337 ( 3234 PWs) bands (ev): -30.7560 -30.7560 1.8160 1.8307 6.4976 6.5559 9.3112 9.3635 12.0687 12.0856 12.4662 12.4804 12.9686 12.9897 13.7719 13.7817 14.8773 14.9178 19.9739 20.0282 20.5337 20.5789 22.6062 22.6693 k =-0.2747 0.5002 0.6247 ( 3230 PWs) bands (ev): -30.7561 -30.7561 1.8077 1.8225 6.4890 6.5474 9.3104 9.3628 12.0675 12.0828 12.4786 12.4909 12.9656 12.9823 13.7742 13.7819 14.8772 14.9179 20.0863 20.1402 20.5228 20.5678 22.5606 22.6215 k =-0.2790 0.5081 0.6157 ( 3229 PWs) bands (ev): -30.7562 -30.7562 1.8018 1.8166 6.4829 6.5413 9.3098 9.3623 12.0664 12.0807 12.4882 12.4982 12.9641 12.9759 13.7761 13.7818 14.8770 14.9180 20.1757 20.2246 20.5159 20.5555 22.5234 22.5825 k =-0.2834 0.5160 0.6067 ( 3228 PWs) bands (ev): -30.7563 -30.7563 1.7983 1.8130 6.4792 6.5377 9.3094 9.3620 12.0657 12.0794 12.4946 12.5023 12.9639 12.9711 13.7774 13.7816 14.8770 14.9180 20.2374 20.2740 20.5165 20.5413 22.4988 22.5567 k =-0.2877 0.5239 0.5977 ( 3232 PWs) bands (ev): -30.7563 -30.7563 1.7971 1.8119 6.4780 6.5365 9.3093 9.3619 12.0655 12.0790 12.4969 12.5036 12.9644 12.9689 13.7779 13.7814 14.8769 14.9181 20.2617 20.2878 20.5259 20.5271 22.4903 22.5477 k =-0.2877 0.5239 0.5977 ( 3232 PWs) bands (ev): -30.7563 -30.7563 1.7971 1.8119 6.4780 6.5365 9.3093 9.3619 12.0655 12.0790 12.4969 12.5036 12.9644 12.9689 13.7779 13.7814 14.8769 14.9181 20.2617 20.2878 20.5259 20.5271 22.4903 22.5477 k =-0.2833 0.5160 0.5886 ( 3228 PWs) bands (ev): -30.7560 -30.7560 1.8363 1.8507 6.4201 6.4756 9.3744 9.4245 12.0406 12.0539 12.4864 12.4935 12.9631 12.9660 13.7754 13.7776 14.8972 14.9362 20.2904 20.3522 20.4186 20.4573 22.3867 22.4436 k =-0.2790 0.5080 0.5796 ( 3228 PWs) bands (ev): -30.7557 -30.7557 1.8693 1.8833 6.3708 6.4233 9.4398 9.4875 12.0157 12.0288 12.4774 12.4849 12.9620 12.9634 13.7721 13.7731 14.9184 14.9552 20.2267 20.2753 20.4513 20.4787 22.2855 22.3418 k =-0.2746 0.5001 0.5705 ( 3224 PWs) bands (ev): -30.7555 -30.7554 1.8957 1.9091 6.3307 6.3805 9.5049 9.5503 11.9910 12.0037 12.4697 12.4777 12.9610 12.9611 13.7678 13.7680 14.9404 14.9750 20.1256 20.1619 20.5189 20.5359 22.1868 22.2423 k =-0.2703 0.4922 0.5615 ( 3232 PWs) bands (ev): -30.7553 -30.7553 1.9148 1.9276 6.3008 6.3479 9.5691 9.6125 11.9667 11.9788 12.4635 12.4719 12.9591 12.9603 13.7617 13.7631 14.9632 14.9955 20.0192 20.0496 20.5833 20.5963 22.0907 22.1452 k =-0.2659 0.4842 0.5524 ( 3232 PWs) bands (ev): -30.7552 -30.7551 1.9264 1.9385 6.2815 6.3261 9.6319 9.6735 11.9431 11.9545 12.4588 12.4675 12.9576 12.9598 13.7548 13.7575 14.9867 15.0168 19.9133 19.9401 20.6425 20.6538 21.9973 22.0507 k =-0.2615 0.4763 0.5434 ( 3236 PWs) bands (ev): -30.7551 -30.7550 1.9302 1.9414 6.2732 6.3154 9.6928 9.7327 11.9203 11.9310 12.4554 12.4646 12.9565 12.9597 13.7471 13.7511 15.0111 15.0388 19.8093 19.8334 20.6958 20.7063 21.9066 21.9590 k =-0.2572 0.4683 0.5343 ( 3242 PWs) bands (ev): -30.7550 -30.7550 1.9260 1.9364 6.2763 6.3161 9.7512 9.7896 11.8986 11.9086 12.4535 12.4632 12.9560 12.9600 13.7386 13.7439 15.0362 15.0616 19.7078 19.7297 20.7430 20.7531 21.8188 21.8700 k =-0.2528 0.4604 0.5253 ( 3242 PWs) bands (ev): -30.7550 -30.7550 1.9138 1.9232 6.2908 6.3284 9.8066 9.8437 11.8785 11.8876 12.4530 12.4632 12.9560 12.9609 13.7294 13.7360 15.0621 15.0851 19.6089 19.6290 20.7836 20.7937 21.7339 21.7839 k =-0.2485 0.4525 0.5162 ( 3246 PWs) bands (ev): -30.7551 -30.7550 1.8938 1.9022 6.3166 6.3520 9.8584 9.8942 11.8603 11.8685 12.4539 12.4646 12.9568 12.9623 13.7193 13.7272 15.0889 15.1094 19.5128 19.5312 20.8176 20.8276 21.6521 21.7008 k =-0.2441 0.4445 0.5071 ( 3246 PWs) bands (ev): -30.7551 -30.7551 1.8662 1.8737 6.3535 6.3869 9.9060 9.9407 11.8443 11.8515 12.4562 12.4674 12.9582 12.9643 13.7085 13.7178 15.1165 15.1347 19.4194 19.4363 20.8448 20.8549 21.5733 21.6209 k =-0.2397 0.4366 0.4981 ( 3250 PWs) bands (ev): -30.7553 -30.7553 1.8315 1.8379 6.4010 6.4326 9.9488 9.9826 11.8309 11.8371 12.4598 12.4717 12.9605 12.9671 13.6969 13.7076 15.1451 15.1608 19.3286 19.3442 20.8653 20.8753 21.4978 21.5442 k =-0.2354 0.4287 0.4890 ( 3250 PWs) bands (ev): -30.7555 -30.7554 1.7900 1.7955 6.4589 6.4887 9.9864 10.0193 11.8204 11.8257 12.4648 12.4772 12.9637 12.9706 13.6847 13.6967 15.1747 15.1880 19.2405 19.2548 20.8792 20.8891 21.4256 21.4709 k =-0.2310 0.4207 0.4800 ( 3254 PWs) bands (ev): -30.7557 -30.7557 1.7425 1.7471 6.5263 6.5546 10.0182 10.0502 11.8133 11.8177 12.4710 12.4842 12.9677 12.9749 13.6717 13.6852 15.2053 15.2162 19.1549 19.1682 20.8867 20.8964 21.3567 21.4011 k =-0.2267 0.4128 0.4709 ( 3246 PWs) bands (ev): -30.7559 -30.7559 1.6894 1.6931 6.6029 6.6297 10.0439 10.0751 11.8098 11.8133 12.4786 12.4924 12.9727 12.9802 13.6581 13.6730 15.2371 15.2456 19.0717 19.0841 20.8881 20.8974 21.2912 21.3349 k =-0.2223 0.4048 0.4619 ( 3246 PWs) bands (ev): -30.7562 -30.7562 1.6313 1.6342 6.6878 6.7134 10.0631 10.0936 11.8100 11.8127 12.4873 12.5020 12.9788 12.9863 13.6438 13.6603 15.2702 15.2763 18.9910 19.0026 20.8838 20.8924 21.2293 21.2724 k =-0.2179 0.3969 0.4528 ( 3244 PWs) bands (ev): -30.7566 -30.7566 1.5689 1.5711 6.7805 6.8051 10.0756 10.1055 11.8140 11.8160 12.4973 12.5127 12.9859 12.9934 13.6290 13.6471 15.3045 15.3084 18.9125 18.9235 20.8742 20.8820 21.1709 21.2136 k =-0.2136 0.3890 0.4437 ( 3248 PWs) bands (ev): -30.7570 -30.7570 1.5028 1.5043 6.8803 6.9041 10.0814 10.1107 11.8218 11.8231 12.5083 12.5246 12.9941 13.0014 13.6138 13.6334 15.3402 15.3419 18.8363 18.8468 20.8597 20.8665 21.1162 21.1588 k =-0.2092 0.3810 0.4347 ( 3245 PWs) bands (ev): -30.7574 -30.7574 1.4335 1.4343 6.9866 7.0097 10.0806 10.1094 11.8332 11.8339 12.5204 12.5377 13.0035 13.0106 13.5981 13.6194 15.3770 15.3774 18.7623 18.7724 20.8409 20.8466 21.0652 21.1077 k =-0.2049 0.3731 0.4256 ( 3249 PWs) bands (ev): -30.7579 -30.7579 1.3616 1.3618 7.0988 7.1214 10.0735 10.1019 11.8479 11.8479 12.5335 12.5517 13.0141 13.0207 13.5820 13.6050 15.4137 15.4161 18.6903 18.7002 20.8182 20.8227 21.0179 21.0606 k =-0.2005 0.3651 0.4166 ( 3253 PWs) bands (ev): -30.7584 -30.7584 1.2872 1.2875 7.2163 7.2386 10.0604 10.0885 11.8649 11.8653 12.5474 12.5668 13.0260 13.0321 13.5657 13.5905 15.4521 15.4565 18.6203 18.6302 20.7920 20.7955 20.9745 21.0171 k =-0.1962 0.3572 0.4075 ( 3241 PWs) bands (ev): -30.7590 -30.7590 1.2110 1.2117 7.3385 7.3608 10.0418 10.0697 11.8842 11.8851 12.5621 12.5827 13.0393 13.0445 13.5493 13.5759 15.4924 15.4984 18.5523 18.5623 20.7629 20.7657 20.9350 20.9774 k =-0.1918 0.3493 0.3985 ( 3243 PWs) bands (ev): -30.7596 -30.7596 1.1335 1.1347 7.4648 7.4874 10.0182 10.0461 11.9054 11.9068 12.5774 12.5993 13.0540 13.0582 13.5328 13.5614 15.5344 15.5421 18.4862 18.4965 20.7312 20.7337 20.8996 20.9414 k =-0.1874 0.3413 0.3894 ( 3243 PWs) bands (ev): -30.7602 -30.7602 1.0552 1.0567 7.5947 7.6178 9.9901 10.0183 11.9277 11.9297 12.5933 12.6166 13.0702 13.0733 13.5165 13.5470 15.5784 15.5874 18.4219 18.4326 20.6973 20.7000 20.8684 20.9092 k =-0.1831 0.3334 0.3804 ( 3231 PWs) bands (ev): -30.7608 -30.7608 0.9763 0.9781 7.7277 7.7517 9.9581 9.9868 11.9508 11.9533 12.6095 12.6344 13.0881 13.0897 13.5004 13.5330 15.6241 15.6344 18.3594 18.3707 20.6614 20.6649 20.8417 20.8810 k =-0.1787 0.3255 0.3713 ( 3235 PWs) bands (ev): -30.7615 -30.7615 0.8972 0.8993 7.8632 7.8884 9.9228 9.9523 11.9739 11.9771 12.6260 12.6525 13.1077 13.1078 13.4848 13.5195 15.6717 15.6830 18.2987 18.3107 20.6238 20.6285 20.8195 20.8570 k =-0.1744 0.3175 0.3622 ( 3231 PWs) bands (ev): -30.7623 -30.7622 0.8181 0.8204 8.0007 8.0275 9.8847 9.9155 11.9967 12.0007 12.6424 12.6707 13.1273 13.1294 13.4699 13.5067 15.7211 15.7332 18.2398 18.2527 20.5848 20.5909 20.8022 20.8377 k =-0.1700 0.3096 0.3532 ( 3231 PWs) bands (ev): -30.7630 -30.7630 0.7393 0.7419 8.1394 8.1685 9.8445 9.8771 12.0186 12.0235 12.6586 12.6887 13.1486 13.1530 13.4559 13.4948 15.7722 15.7849 18.1827 18.1965 20.5446 20.5524 20.7898 20.8232 k =-0.1656 0.3016 0.3441 ( 3235 PWs) bands (ev): -30.7638 -30.7638 0.6610 0.6637 8.2787 8.3107 9.8027 9.8378 12.0392 12.0452 12.6744 12.7065 13.1718 13.1788 13.4430 13.4841 15.8249 15.8379 18.1273 18.1421 20.5034 20.5128 20.7825 20.8139 k =-0.1613 0.2937 0.3351 ( 3239 PWs) bands (ev): -30.7646 -30.7645 0.5834 0.5863 8.4175 8.4535 9.7600 9.7986 12.0583 12.0654 12.6895 12.7235 13.1971 13.2068 13.4316 13.4749 15.8790 15.8922 18.0737 18.0897 20.4616 20.4725 20.7805 20.8101 k =-0.1569 0.2858 0.3260 ( 3243 PWs) bands (ev): -30.7654 -30.7654 0.5067 0.5096 8.5548 8.5959 9.7173 9.7607 12.0756 12.0839 12.7036 12.7396 13.2244 13.2372 13.4221 13.4673 15.9345 15.9476 18.0220 18.0392 20.4193 20.4316 20.7838 20.8118 k =-0.1526 0.2778 0.3170 ( 3239 PWs) bands (ev): -30.7662 -30.7662 0.4310 0.4340 8.6887 8.7368 9.6758 9.7257 12.0908 12.1005 12.7165 12.7543 13.2539 13.2699 13.4147 13.4617 15.9912 16.0040 17.9722 17.9906 20.3766 20.3901 20.7926 20.8192 k =-0.1482 0.2699 0.3079 ( 3243 PWs) bands (ev): -30.7670 -30.7670 0.3564 0.3595 8.8165 8.8740 9.6374 9.6964 12.1039 12.1150 12.7279 12.7673 13.2857 13.3049 13.4099 13.4583 16.0489 16.0613 17.9244 17.9441 20.3337 20.3483 20.8070 20.8324 k =-0.1438 0.2620 0.2989 ( 3243 PWs) bands (ev): -30.7679 -30.7679 0.2832 0.2863 8.9337 9.0037 9.6059 9.6769 12.1147 12.1274 12.7376 12.7783 13.3197 13.3421 13.4083 13.4575 16.1075 16.1192 17.8787 17.8997 20.2908 20.3063 20.8271 20.8516 k =-0.1395 0.2540 0.2898 ( 3245 PWs) bands (ev): -30.7688 -30.7687 0.2113 0.2145 9.0335 9.1178 9.5892 9.6742 12.1235 12.1377 12.7454 12.7870 13.3558 13.3799 13.4114 13.4594 16.1669 16.1776 17.8352 17.8574 20.2480 20.2643 20.8531 20.8768 k =-0.1351 0.2461 0.2807 ( 3241 PWs) bands (ev): -30.7696 -30.7696 0.1410 0.1442 9.1066 9.2008 9.6025 9.6971 12.1301 12.1459 12.7510 12.7932 13.3939 13.4057 13.4321 13.4644 16.2269 16.2365 17.7941 17.8175 20.2053 20.2223 20.8850 20.9081 k =-0.1308 0.2381 0.2717 ( 3243 PWs) bands (ev): -30.7705 -30.7705 0.0722 0.0755 9.1470 9.2377 9.6608 9.7516 12.1347 12.1522 12.7545 12.7967 13.4165 13.4331 13.4732 13.4732 16.2874 16.2957 17.7556 17.7801 20.1630 20.1804 20.9228 20.9454 k =-0.1264 0.2302 0.2626 ( 3249 PWs) bands (ev): -30.7714 -30.7714 0.0052 0.0084 9.1574 9.2348 9.7574 9.8347 12.1376 12.1567 12.7558 12.7975 13.4281 13.4687 13.4903 13.5188 16.3484 16.3551 17.7198 17.7453 20.1209 20.1388 20.9666 20.9888 k =-0.1221 0.2223 0.2536 ( 3249 PWs) bands (ev): -30.7723 -30.7723 -0.0601 -0.0569 9.1466 9.2103 9.8739 9.9373 12.1389 12.1596 12.7550 12.7958 13.4424 13.4896 13.5264 13.5665 16.4096 16.4147 17.6871 17.7134 20.0794 20.0976 21.0163 21.0383 k =-0.1177 0.2143 0.2445 ( 3251 PWs) bands (ev): -30.7732 -30.7731 -0.1235 -0.1204 9.1229 9.1757 9.9984 10.0509 12.1389 12.1611 12.7522 12.7917 13.4596 13.5068 13.5703 13.6156 16.4712 16.4745 17.6577 17.6848 20.0383 20.0568 21.0719 21.0936 k =-0.1133 0.2064 0.2355 ( 3247 PWs) bands (ev): -30.7740 -30.7740 -0.1850 -0.1819 9.0918 9.1364 10.1252 10.1695 12.1378 12.1617 12.7476 12.7855 13.4794 13.5254 13.6161 13.6655 16.5331 16.5344 17.6321 17.6596 19.9978 20.0165 21.1332 21.1547 k =-0.1090 0.1985 0.2264 ( 3243 PWs) bands (ev): -30.7749 -30.7749 -0.2446 -0.2416 9.0566 9.0950 10.2515 10.2898 12.1360 12.1615 12.7413 12.7774 13.5015 13.5458 13.6628 13.7159 16.5943 16.5950 17.6107 17.6385 19.9580 19.9767 21.2000 21.2214 k =-0.1046 0.1905 0.2173 ( 3241 PWs) bands (ev): -30.7757 -30.7757 -0.3022 -0.2992 9.0192 9.0528 10.3756 10.4093 12.1338 12.1609 12.7337 12.7679 13.5255 13.5680 13.7098 13.7662 16.6541 16.6570 17.5941 17.6219 19.9189 19.9376 21.2722 21.2935 k =-0.1003 0.1826 0.2083 ( 3241 PWs) bands (ev): -30.7766 -30.7765 -0.3577 -0.3548 8.9808 9.0106 10.4962 10.5266 12.1315 12.1603 12.7249 12.7571 13.5513 13.5917 13.7564 13.8159 16.7135 16.7186 17.5830 17.6105 19.8805 19.8992 21.3494 21.3706 k =-0.0959 0.1746 0.1992 ( 3241 PWs) bands (ev): -30.7774 -30.7774 -0.4111 -0.4083 8.9421 8.9689 10.6125 10.6405 12.1297 12.1601 12.7151 12.7454 13.5783 13.6166 13.8022 13.8643 16.7720 16.7795 17.5786 17.6054 19.8430 19.8616 21.4313 21.4524 k =-0.0915 0.1667 0.1902 ( 3239 PWs) bands (ev): -30.7782 -30.7782 -0.4623 -0.4596 8.9037 8.9279 10.7238 10.7500 12.1286 12.1608 12.7047 12.7330 13.6063 13.6425 13.8466 13.9109 16.8289 16.8387 17.5819 17.6078 19.8064 19.8249 21.5175 21.5384 k =-0.0872 0.1588 0.1811 ( 3235 PWs) bands (ev): -30.7790 -30.7790 -0.5114 -0.5088 8.8660 8.8880 10.8294 10.8544 12.1288 12.1627 12.6938 12.7201 13.6350 13.6692 13.8892 13.9552 16.8832 16.8953 17.5946 17.6192 19.7708 19.7891 21.6074 21.6282 k =-0.0828 0.1508 0.1721 ( 3233 PWs) bands (ev): -30.7797 -30.7797 -0.5583 -0.5557 8.8292 8.8493 10.9287 10.9529 12.1309 12.1665 12.6826 12.7071 13.6641 13.6963 13.9293 13.9965 16.9336 16.9479 17.6184 17.6415 19.7362 19.7543 21.7004 21.7210 k =-0.0785 0.1429 0.1630 ( 3229 PWs) bands (ev): -30.7805 -30.7805 -0.6029 -0.6004 8.7936 8.8120 11.0210 11.0448 12.1353 12.1725 12.6712 12.6939 13.6933 13.7236 13.9665 14.0344 16.9787 16.9949 17.6549 17.6763 19.7028 19.7206 21.7958 21.8162 k =-0.0741 0.1349 0.1540 ( 3225 PWs) bands (ev): -30.7812 -30.7812 -0.6452 -0.6429 8.7592 8.7762 11.1058 11.1294 12.1425 12.1814 12.6599 12.6809 13.7225 13.7508 14.0005 14.0685 17.0174 17.0352 17.7054 17.7252 19.6707 19.6880 21.8928 21.9129 k =-0.0697 0.1270 0.1449 ( 3229 PWs) bands (ev): -30.7819 -30.7819 -0.6852 -0.6830 8.7264 8.7419 11.1826 11.2062 12.1532 12.1934 12.6488 12.6681 13.7513 13.7778 14.0310 14.0985 17.0495 17.0682 17.7704 17.7886 19.6398 19.6568 21.9904 22.0101 k =-0.0654 0.1191 0.1358 ( 3225 PWs) bands (ev): -30.7825 -30.7825 -0.7229 -0.7209 8.6951 8.7094 11.2511 11.2746 12.1678 12.2089 12.6380 12.6557 13.7796 13.8042 14.0577 14.1242 17.0752 17.0944 17.8494 17.8661 19.6104 19.6269 22.0873 22.1065 k =-0.0610 0.1111 0.1268 ( 3221 PWs) bands (ev): -30.7831 -30.7831 -0.7583 -0.7563 8.6655 8.6786 11.3111 11.3343 12.1864 12.2280 12.6276 12.6438 13.8071 13.8300 14.0806 14.1455 17.0953 17.1145 17.9411 17.9567 19.5825 19.5986 22.1821 22.2008 k =-0.0567 0.1032 0.1177 ( 3229 PWs) bands (ev): -30.7837 -30.7837 -0.7913 -0.7895 8.6377 8.6497 11.3626 11.3853 12.2091 12.2506 12.6179 12.6326 13.8337 13.8549 14.0997 14.1625 17.1110 17.1297 18.0439 18.0584 19.5563 19.5719 22.2731 22.2909 k =-0.0523 0.0953 0.1087 ( 3229 PWs) bands (ev): -30.7843 -30.7843 -0.8219 -0.8202 8.6117 8.6227 11.4061 11.4279 12.2355 12.2762 12.6088 12.6220 13.8592 13.8787 14.1151 14.1753 17.1233 17.1411 18.1560 18.1696 19.5320 19.5470 22.3578 22.3747 k =-0.0479 0.0873 0.0996 ( 3227 PWs) bands (ev): -30.7848 -30.7848 -0.8501 -0.8486 8.5877 8.5976 11.4421 11.4627 12.2649 12.3041 12.6007 12.6124 13.8835 13.9012 14.1272 14.1842 17.1330 17.1497 18.2754 18.2881 19.5096 19.5241 22.4337 22.4493 k =-0.0436 0.0794 0.0906 ( 3227 PWs) bands (ev): -30.7853 -30.7853 -0.8759 -0.8745 8.5656 8.5745 11.4714 11.4905 12.2963 12.3333 12.5935 12.6037 13.9062 13.9224 14.1362 14.1896 17.1408 17.1562 18.4001 18.4119 19.4895 19.5035 22.4974 22.5114 k =-0.0392 0.0714 0.0815 ( 3225 PWs) bands (ev): -30.7857 -30.7857 -0.8993 -0.8980 8.5455 8.5535 11.4950 11.5123 12.3285 12.3627 12.5876 12.5962 13.9274 13.9419 14.1425 14.1920 17.1471 17.1611 18.5276 18.5386 19.4719 19.4854 22.5454 22.5573 k =-0.0349 0.0635 0.0724 ( 3221 PWs) bands (ev): -30.7861 -30.7861 -0.9202 -0.9191 8.5274 8.5345 11.5136 11.5290 12.3603 12.3911 12.5832 12.5900 13.9469 13.9597 14.1465 14.1917 17.1523 17.1649 18.6553 18.6656 19.4573 19.4702 22.5742 22.5836 k =-0.0305 0.0556 0.0634 ( 3221 PWs) bands (ev): -30.7864 -30.7864 -0.9387 -0.9377 8.5115 8.5176 11.5283 11.5417 12.3903 12.4172 12.5805 12.5854 13.9645 13.9757 14.1489 14.1893 17.1566 17.1677 18.7801 18.7897 19.4463 19.4587 22.5816 22.5885 k =-0.0262 0.0476 0.0543 ( 3213 PWs) bands (ev): -30.7867 -30.7867 -0.9547 -0.9539 8.4977 8.5029 11.5396 11.5510 12.4174 12.4397 12.5799 12.5827 13.9800 13.9897 14.1500 14.1854 17.1603 17.1698 18.8979 18.9070 19.4399 19.4517 22.5680 22.5725 k =-0.0218 0.0397 0.0453 ( 3213 PWs) bands (ev): -30.7870 -30.7870 -0.9683 -0.9676 8.4860 8.4903 11.5484 11.5578 12.4405 12.4578 12.5815 12.5821 13.9935 14.0015 14.1505 14.1805 17.1633 17.1712 19.0039 19.0124 19.4396 19.4507 22.5370 22.5394 k =-0.0174 0.0318 0.0362 ( 3225 PWs) bands (ev): -30.7872 -30.7872 -0.9794 -0.9788 8.4765 8.4799 11.5550 11.5625 12.4586 12.4711 12.5837 12.5849 14.0049 14.0113 14.1507 14.1751 17.1659 17.1722 19.0924 19.1000 19.4473 19.4573 22.4950 22.4959 k =-0.0131 0.0238 0.0272 ( 3225 PWs) bands (ev): -30.7874 -30.7874 -0.9880 -0.9876 8.4691 8.4717 11.5600 11.5656 12.4717 12.4799 12.5870 12.5893 14.0139 14.0187 14.1510 14.1696 17.1680 17.1727 19.1585 19.1646 19.4639 19.4720 22.4501 22.4502 k =-0.0087 0.0159 0.0181 ( 3225 PWs) bands (ev): -30.7875 -30.7875 -0.9942 -0.9939 8.4640 8.4658 11.5636 11.5673 12.4803 12.4851 12.5911 12.5934 14.0207 14.0239 14.1520 14.1644 17.1697 17.1729 19.2010 19.2051 19.4860 19.4914 22.4103 22.4106 k =-0.0044 0.0079 0.0091 ( 3221 PWs) bands (ev): -30.7876 -30.7876 -0.9978 -0.9977 8.4611 8.4620 11.5660 11.5678 12.4853 12.4875 12.5945 12.5959 14.0251 14.0266 14.1537 14.1600 17.1710 17.1726 19.2236 19.2255 19.5051 19.5078 22.3834 22.3837 k = 0.0000 0.0000 0.0000 ( 3225 PWs) bands (ev): -30.7876 -30.7876 -0.9990 -0.9990 8.4605 8.4605 11.5674 11.5674 12.4875 12.4875 12.5963 12.5963 14.0270 14.0270 14.1563 14.1563 17.1720 17.1720 19.2310 19.2310 19.5135 19.5135 22.3740 22.3740 k = 0.0000 0.0000 0.0000 ( 3225 PWs) bands (ev): -30.7876 -30.7876 -0.9990 -0.9990 8.4605 8.4605 11.5674 11.5674 12.4875 12.4875 12.5963 12.5963 14.0270 14.0270 14.1563 14.1563 17.1720 17.1720 19.2310 19.2310 19.5135 19.5135 22.3740 22.3740 k = 0.0111 0.0061 0.0000 ( 3217 PWs) bands (ev): -30.7876 -30.7876 -0.9984 -0.9984 8.4582 8.4582 11.5672 11.5672 12.4883 12.4883 12.5971 12.5971 14.0271 14.0271 14.1505 14.1505 17.1825 17.1825 19.2265 19.2265 19.5087 19.5087 22.3749 22.3749 k = 0.0222 0.0122 0.0000 ( 3217 PWs) bands (ev): -30.7876 -30.7876 -0.9967 -0.9967 8.4515 8.4515 11.5664 11.5664 12.4905 12.4905 12.5993 12.5993 14.0271 14.0271 14.1332 14.1332 17.2137 17.2137 19.2130 19.2130 19.4944 19.4944 22.3776 22.3776 k = 0.0333 0.0183 0.0000 ( 3217 PWs) bands (ev): -30.7875 -30.7875 -0.9938 -0.9938 8.4403 8.4403 11.5651 11.5651 12.4942 12.4942 12.6030 12.6030 14.0272 14.0272 14.1052 14.1052 17.2649 17.2649 19.1908 19.1908 19.4709 19.4709 22.3820 22.3820 k = 0.0444 0.0244 0.0000 ( 3237 PWs) bands (ev): -30.7875 -30.7875 -0.9898 -0.9898 8.4247 8.4247 11.5633 11.5633 12.4993 12.4993 12.6082 12.6082 14.0274 14.0274 14.0679 14.0679 17.3346 17.3346 19.1601 19.1601 19.4386 19.4386 22.3882 22.3882 k = 0.0556 0.0305 0.0000 ( 3237 PWs) bands (ev): -30.7875 -30.7875 -0.9847 -0.9847 8.4047 8.4047 11.5611 11.5611 12.5060 12.5060 12.6148 12.6148 14.0226 14.0226 14.0276 14.0276 17.4214 17.4214 19.1216 19.1216 19.3980 19.3980 22.3962 22.3962 k = 0.0667 0.0366 0.0000 ( 3221 PWs) bands (ev): -30.7874 -30.7874 -0.9785 -0.9785 8.3805 8.3805 11.5583 11.5583 12.5140 12.5140 12.6229 12.6229 13.9709 13.9709 14.0278 14.0278 17.5235 17.5235 19.0757 19.0757 19.3498 19.3498 22.4058 22.4058 k = 0.0778 0.0427 0.0000 ( 3221 PWs) bands (ev): -30.7874 -30.7874 -0.9712 -0.9712 8.3521 8.3521 11.5551 11.5551 12.5236 12.5236 12.6324 12.6324 13.9144 13.9144 14.0281 14.0281 17.6392 17.6392 19.0231 19.0231 19.2945 19.2945 22.4170 22.4170 k = 0.0889 0.0488 0.0000 ( 3221 PWs) bands (ev): -30.7873 -30.7873 -0.9628 -0.9628 8.3196 8.3196 11.5515 11.5515 12.5345 12.5345 12.6433 12.6433 13.8546 13.8546 14.0284 14.0284 17.7670 17.7670 18.9646 18.9646 19.2329 19.2329 22.4298 22.4298 k = 0.1000 0.0549 0.0000 ( 3233 PWs) bands (ev): -30.7872 -30.7872 -0.9534 -0.9534 8.2833 8.2833 11.5474 11.5474 12.5468 12.5468 12.6556 12.6556 13.7925 13.7925 14.0288 14.0288 17.9052 17.9052 18.9009 18.9009 19.1658 19.1658 22.4441 22.4441 k = 0.1111 0.0610 0.0000 ( 3233 PWs) bands (ev): -30.7872 -30.7872 -0.9430 -0.9430 8.2432 8.2432 11.5429 11.5429 12.5604 12.5604 12.6693 12.6693 13.7295 13.7295 14.0292 14.0292 18.0524 18.0524 18.8330 18.8330 19.0938 19.0938 22.4599 22.4599 k = 0.1222 0.0671 0.0000 ( 3233 PWs) bands (ev): -30.7871 -30.7871 -0.9316 -0.9316 8.1996 8.1996 11.5381 11.5381 12.5754 12.5754 12.6843 12.6843 13.6664 13.6664 14.0296 14.0296 18.2064 18.2064 18.7622 18.7622 19.0176 19.0176 22.4770 22.4770 k = 0.1333 0.0732 0.0000 ( 3233 PWs) bands (ev): -30.7870 -30.7870 -0.9193 -0.9193 8.1526 8.1526 11.5329 11.5329 12.5917 12.5917 12.7007 12.7007 13.6038 13.6038 14.0301 14.0301 18.3633 18.3633 18.6924 18.6924 18.9379 18.9379 22.4954 22.4954 k = 0.1444 0.0793 0.0000 ( 3233 PWs) bands (ev): -30.7869 -30.7869 -0.9061 -0.9061 8.1025 8.1025 11.5273 11.5273 12.6093 12.6093 12.7183 12.7183 13.5426 13.5426 14.0306 14.0306 18.4961 18.4961 18.6501 18.6501 18.8552 18.8552 22.5149 22.5149 k = 0.1556 0.0854 0.0000 ( 3242 PWs) bands (ev): -30.7868 -30.7868 -0.8920 -0.8920 8.0495 8.0495 11.5215 11.5215 12.6280 12.6280 12.7371 12.7371 13.4831 13.4831 14.0311 14.0311 18.4889 18.4889 18.7511 18.7511 18.7701 18.7701 22.5355 22.5355 k = 0.1667 0.0915 0.0000 ( 3242 PWs) bands (ev): -30.7867 -30.7867 -0.8772 -0.8772 7.9938 7.9938 11.5154 11.5154 12.6479 12.6479 12.7572 12.7572 13.4258 13.4258 14.0317 14.0317 18.4158 18.4158 18.6831 18.6831 18.9209 18.9209 22.5571 22.5571 k = 0.1778 0.0976 0.0000 ( 3242 PWs) bands (ev): -30.7866 -30.7866 -0.8616 -0.8616 7.9359 7.9359 11.5090 11.5090 12.6689 12.6689 12.7784 12.7784 13.3708 13.3708 14.0323 14.0323 18.3333 18.3333 18.5947 18.5947 19.1030 19.1030 22.5796 22.5796 k = 0.1889 0.1037 0.0000 ( 3242 PWs) bands (ev): -30.7865 -30.7865 -0.8453 -0.8453 7.8758 7.8758 11.5025 11.5025 12.6908 12.6908 12.8007 12.8007 13.3186 13.3186 14.0329 14.0329 18.2477 18.2477 18.5053 18.5053 19.2909 19.2909 22.6028 22.6028 k = 0.2000 0.1098 0.0000 ( 3234 PWs) bands (ev): -30.7863 -30.7863 -0.8284 -0.8284 7.8141 7.8141 11.4958 11.4958 12.7137 12.7137 12.8240 12.8240 13.2691 13.2691 14.0335 14.0335 18.1605 18.1605 18.4152 18.4152 19.4830 19.4830 22.6266 22.6266 k = 0.2111 0.1159 0.0000 ( 3234 PWs) bands (ev): -30.7862 -30.7862 -0.8109 -0.8109 7.7509 7.7509 11.4890 11.4890 12.7374 12.7374 12.8483 12.8483 13.2226 13.2226 14.0341 14.0341 18.0726 18.0726 18.3250 18.3250 19.6783 19.6783 22.6510 22.6510 k = 0.2222 0.1220 0.0000 ( 3230 PWs) bands (ev): -30.7861 -30.7861 -0.7930 -0.7930 7.6865 7.6865 11.4820 11.4820 12.7616 12.7616 12.8735 12.8735 13.1792 13.1792 14.0347 14.0347 17.9845 17.9845 18.2349 18.2349 19.8763 19.8763 22.6757 22.6757 k = 0.2333 0.1281 0.0000 ( 3222 PWs) bands (ev): -30.7859 -30.7859 -0.7746 -0.7746 7.6214 7.6214 11.4750 11.4750 12.7863 12.7863 12.8995 12.8995 13.1390 13.1390 14.0354 14.0354 17.8965 17.8965 18.1452 18.1452 20.0764 20.0764 22.7007 22.7007 k = 0.2444 0.1342 0.0000 ( 3210 PWs) bands (ev): -30.7858 -30.7858 -0.7559 -0.7559 7.5558 7.5558 11.4680 11.4680 12.8109 12.8109 12.9262 12.9262 13.1022 13.1022 14.0361 14.0361 17.8091 17.8091 18.0562 18.0562 20.2781 20.2781 22.7258 22.7258 k = 0.2556 0.1403 0.0000 ( 3210 PWs) bands (ev): -30.7857 -30.7857 -0.7370 -0.7370 7.4901 7.4901 11.4609 11.4609 12.8349 12.8349 12.9536 12.9536 13.0695 13.0695 14.0367 14.0367 17.7224 17.7224 17.9683 17.9683 20.4811 20.4811 22.7510 22.7510 k = 0.2667 0.1464 0.0000 ( 3210 PWs) bands (ev): -30.7855 -30.7855 -0.7179 -0.7179 7.4245 7.4245 11.4539 11.4539 12.8572 12.8572 12.9816 12.9816 13.0416 13.0416 14.0374 14.0374 17.6369 17.6369 17.8816 17.8816 20.6848 20.6848 22.7760 22.7760 k = 0.2778 0.1525 0.0000 ( 3206 PWs) bands (ev): -30.7854 -30.7854 -0.6987 -0.6987 7.3595 7.3595 11.4470 11.4470 12.8754 12.8754 13.0099 13.0099 13.0208 13.0208 14.0381 14.0381 17.5528 17.5528 17.7965 17.7965 20.8888 20.8888 22.8008 22.8008 k = 0.2889 0.1586 0.0000 ( 3206 PWs) bands (ev): -30.7853 -30.7853 -0.6796 -0.6796 7.2953 7.2953 11.4402 11.4402 12.8855 12.8855 13.0108 13.0108 13.0386 13.0386 14.0387 14.0387 17.4703 17.4703 17.7132 17.7132 21.0927 21.0927 22.8253 22.8253 k = 0.3000 0.1647 0.0000 ( 3206 PWs) bands (ev): -30.7851 -30.7851 -0.6605 -0.6605 7.2322 7.2322 11.4335 11.4335 12.8844 12.8844 13.0145 13.0145 13.0674 13.0674 14.0394 14.0394 17.3897 17.3897 17.6319 17.6319 21.2960 21.2960 22.8493 22.8493 k = 0.3111 0.1708 0.0000 ( 3202 PWs) bands (ev): -30.7850 -30.7850 -0.6417 -0.6417 7.1706 7.1706 11.4270 11.4270 12.8742 12.8742 13.0295 13.0295 13.0963 13.0963 14.0400 14.0400 17.3113 17.3113 17.5529 17.5529 21.4981 21.4981 22.8727 22.8727 k = 0.3222 0.1769 0.0000 ( 3202 PWs) bands (ev): -30.7849 -30.7849 -0.6232 -0.6232 7.1107 7.1107 11.4207 11.4207 12.8596 12.8596 13.0509 13.0509 13.1250 13.1250 14.0407 14.0407 17.2353 17.2353 17.4765 17.4765 21.6985 21.6985 22.8954 22.8954 k = 0.3333 0.1830 0.0000 ( 3202 PWs) bands (ev): -30.7848 -30.7848 -0.6052 -0.6052 7.0529 7.0529 11.4146 11.4146 12.8437 12.8437 13.0753 13.0753 13.1535 13.1535 14.0413 14.0413 17.1620 17.1620 17.4029 17.4029 21.8966 21.8966 22.9173 22.9173 k = 0.3444 0.1891 0.0000 ( 3202 PWs) bands (ev): -30.7847 -30.7847 -0.5877 -0.5877 6.9973 6.9973 11.4087 11.4087 12.8280 12.8280 13.1010 13.1010 13.1815 13.1815 14.0419 14.0419 17.0917 17.0917 17.3324 17.3324 22.0916 22.0916 22.9383 22.9383 k = 0.3556 0.1952 0.0000 ( 3218 PWs) bands (ev): -30.7846 -30.7846 -0.5708 -0.5708 6.9444 6.9444 11.4032 11.4032 12.8130 12.8130 13.1271 13.1271 13.2089 13.2089 14.0425 14.0425 17.0245 17.0245 17.2651 17.2651 22.2828 22.2828 22.9583 22.9583 k = 0.3667 0.2013 0.0000 ( 3238 PWs) bands (ev): -30.7845 -30.7845 -0.5546 -0.5546 6.8942 6.8942 11.3979 11.3979 12.7991 12.7991 13.1529 13.1529 13.2355 13.2355 14.0430 14.0430 16.9609 16.9609 17.2014 17.2014 22.4693 22.4693 22.9772 22.9772 k = 0.3778 0.2074 0.0000 ( 3234 PWs) bands (ev): -30.7844 -30.7844 -0.5393 -0.5393 6.8472 6.8472 11.3930 11.3930 12.7864 12.7864 13.1781 13.1781 13.2610 13.2610 14.0436 14.0436 16.9010 16.9010 17.1415 17.1415 22.6500 22.6500 22.9950 22.9950 k = 0.3889 0.2135 0.0000 ( 3246 PWs) bands (ev): -30.7844 -30.7844 -0.5249 -0.5249 6.8034 6.8034 11.3884 11.3884 12.7749 12.7749 13.2023 13.2023 13.2853 13.2853 14.0441 14.0441 16.8451 16.8451 17.0857 17.0857 22.8240 22.8240 23.0114 23.0114 k = 0.4000 0.2197 0.0000 ( 3246 PWs) bands (ev): -30.7843 -30.7843 -0.5116 -0.5116 6.7631 6.7631 11.3842 11.3842 12.7647 12.7647 13.2253 13.2253 13.3081 13.3081 14.0445 14.0445 16.7934 16.7934 17.0343 17.0343 22.9898 22.9898 23.0265 23.0265 k = 0.4111 0.2258 0.0000 ( 3242 PWs) bands (ev): -30.7842 -30.7842 -0.4994 -0.4994 6.7265 6.7265 11.3804 11.3804 12.7556 12.7556 13.2467 13.2467 13.3293 13.3293 14.0450 14.0450 16.7463 16.7463 16.9874 16.9874 23.0402 23.0402 23.1460 23.1460 k = 0.4222 0.2319 0.0000 ( 3242 PWs) bands (ev): -30.7841 -30.7841 -0.4884 -0.4884 6.6938 6.6938 11.3770 11.3770 12.7478 12.7478 13.2663 13.2663 13.3485 13.3485 14.0454 14.0454 16.7041 16.7041 16.9453 16.9453 23.0525 23.0525 23.2910 23.2910 k = 0.4333 0.2380 0.0000 ( 3250 PWs) bands (ev): -30.7841 -30.7841 -0.4788 -0.4788 6.6651 6.6651 11.3741 11.3741 12.7410 12.7410 13.2838 13.2838 13.3657 13.3657 14.0457 14.0457 16.6668 16.6668 16.9084 16.9084 23.0632 23.0632 23.4228 23.4228 k = 0.4444 0.2441 0.0000 ( 3250 PWs) bands (ev): -30.7840 -30.7840 -0.4704 -0.4704 6.6406 6.6406 11.3715 11.3715 12.7354 12.7354 13.2990 13.2990 13.3806 13.3806 14.0460 14.0460 16.6349 16.6349 16.8766 16.8766 23.0723 23.0723 23.5396 23.5396 k = 0.4556 0.2502 0.0000 ( 3262 PWs) bands (ev): -30.7840 -30.7840 -0.4635 -0.4635 6.6204 6.6204 11.3694 11.3694 12.7308 12.7308 13.3118 13.3118 13.3931 13.3931 14.0463 14.0463 16.6084 16.6084 16.8504 16.8504 23.0799 23.0799 23.6391 23.6391 k = 0.4667 0.2563 0.0000 ( 3270 PWs) bands (ev): -30.7840 -30.7840 -0.4581 -0.4581 6.6046 6.6046 11.3678 11.3678 12.7272 12.7272 13.3219 13.3219 13.4030 13.4030 14.0465 14.0465 16.5877 16.5877 16.8298 16.8298 23.0858 23.0858 23.7193 23.7193 k = 0.4778 0.2624 0.0000 ( 3270 PWs) bands (ev): -30.7840 -30.7840 -0.4542 -0.4542 6.5932 6.5932 11.3666 11.3666 12.7247 12.7247 13.3293 13.3293 13.4101 13.4101 14.0466 14.0466 16.5727 16.5727 16.8150 16.8150 23.0900 23.0900 23.7783 23.7783 k = 0.4889 0.2685 0.0000 ( 3270 PWs) bands (ev): -30.7840 -30.7840 -0.4518 -0.4518 6.5864 6.5864 11.3659 11.3659 12.7232 12.7232 13.3337 13.3337 13.4144 13.4144 14.0467 14.0467 16.5637 16.5637 16.8061 16.8061 23.0925 23.0925 23.8144 23.8144 k = 0.5000 0.2746 0.0000 ( 3270 PWs) bands (ev): -30.7840 -30.7840 -0.4511 -0.4511 6.5841 6.5841 11.3657 11.3657 12.7227 12.7227 13.3352 13.3352 13.4159 13.4159 14.0467 14.0467 16.5607 16.5607 16.8031 16.8031 23.0934 23.0934 23.8265 23.8265 k = 0.5000 0.2746 0.0000 ( 3270 PWs) bands (ev): -30.7840 -30.7840 -0.4511 -0.4511 6.5841 6.5841 11.3657 11.3657 12.7227 12.7227 13.3352 13.3352 13.4159 13.4159 14.0467 14.0467 16.5607 16.5607 16.8031 16.8031 23.0934 23.0934 23.8265 23.8265 k = 0.4957 0.2825 0.0090 ( 3270 PWs) bands (ev): -30.7839 -30.7839 -0.4500 -0.4496 6.5849 6.5856 11.3642 11.3651 12.7199 12.7239 13.3318 13.3375 13.4149 13.4160 14.0432 14.0472 16.5585 16.5586 16.7995 16.8018 23.1012 23.1014 23.8256 23.8331 k = 0.4913 0.2903 0.0180 ( 3270 PWs) bands (ev): -30.7839 -30.7839 -0.4465 -0.4458 6.5878 6.5892 11.3606 11.3624 12.7156 12.7234 13.3271 13.3387 13.4131 13.4155 14.0368 14.0446 16.5509 16.5509 16.7925 16.7971 23.1241 23.1249 23.8302 23.8456 k = 0.4870 0.2982 0.0270 ( 3270 PWs) bands (ev): -30.7838 -30.7838 -0.4406 -0.4394 6.5929 6.5951 11.3548 11.3575 12.7096 12.7213 13.3211 13.3389 13.4103 13.4145 14.0274 14.0391 16.5345 16.5347 16.7859 16.7926 23.1605 23.1626 23.8409 23.8649 k = 0.4827 0.3061 0.0360 ( 3266 PWs) bands (ev): -30.7836 -30.7836 -0.4322 -0.4306 6.6003 6.6032 11.3466 11.3502 12.7020 12.7175 13.3135 13.3383 13.4065 13.4132 14.0153 14.0309 16.5052 16.5061 16.7845 16.7929 23.2081 23.2123 23.8586 23.8919 k = 0.4783 0.3140 0.0450 ( 3254 PWs) bands (ev): -30.7834 -30.7834 -0.4213 -0.4194 6.6097 6.6134 11.3360 11.3404 12.6929 12.7119 13.3045 13.3368 13.4016 13.4116 14.0006 14.0202 16.4608 16.4632 16.7920 16.8015 23.2633 23.2708 23.8846 23.9284 k = 0.4740 0.3219 0.0540 ( 3254 PWs) bands (ev): -30.7832 -30.7831 -0.4080 -0.4057 6.6214 6.6258 11.3225 11.3278 12.6823 12.7046 13.2941 13.3344 13.3959 13.4097 13.9837 14.0071 16.4019 16.4063 16.8089 16.8192 23.3222 23.3341 23.9211 23.9761 k = 0.4697 0.3298 0.0630 ( 3246 PWs) bands (ev): -30.7829 -30.7829 -0.3923 -0.3896 6.6351 6.6404 11.3060 11.3121 12.6701 12.6955 13.2823 13.3310 13.3892 13.4076 13.9648 13.9921 16.3308 16.3377 16.8343 16.8451 23.3806 23.3973 23.9703 24.0368 k = 0.4653 0.3377 0.0720 ( 3242 PWs) bands (ev): -30.7825 -30.7825 -0.3741 -0.3710 6.6510 6.6571 11.2860 11.2929 12.6566 12.6846 13.2694 13.3268 13.3816 13.4052 13.9442 13.9754 16.2504 16.2600 16.8669 16.8781 23.4351 23.4561 24.0341 24.1114 k = 0.4610 0.3456 0.0810 ( 3236 PWs) bands (ev): -30.7822 -30.7822 -0.3536 -0.3501 6.6689 6.6759 11.2621 11.2698 12.6417 12.6719 13.2556 13.3215 13.3733 13.4022 13.9224 13.9574 16.1632 16.1758 16.9056 16.9172 23.4834 23.5073 24.1128 24.1992 k = 0.4567 0.3535 0.0900 ( 3236 PWs) bands (ev): -30.7818 -30.7818 -0.3306 -0.3267 6.6889 6.6968 11.2340 11.2422 12.6258 12.6577 13.2411 13.3152 13.3643 13.3986 13.8998 13.9386 16.0713 16.0870 16.9497 16.9615 23.5246 23.5498 24.2049 24.2983 k = 0.4523 0.3614 0.0990 ( 3230 PWs) bands (ev): -30.7813 -30.7813 -0.3053 -0.3010 6.7108 6.7198 11.2010 11.2097 12.6089 12.6420 13.2261 13.3079 13.3544 13.3941 13.8769 13.9192 15.9766 15.9957 16.9985 17.0106 23.5591 23.5840 24.3073 24.4055 k = 0.4480 0.3692 0.1080 ( 3230 PWs) bands (ev): -30.7809 -30.7808 -0.2776 -0.2729 6.7347 6.7447 11.1627 11.1717 12.5913 12.6250 13.2110 13.2996 13.3437 13.3884 13.8540 13.8998 15.8807 15.9034 17.0516 17.0639 23.5876 23.6112 24.4159 24.5174 k = 0.4437 0.3771 0.1170 ( 3230 PWs) bands (ev): -30.7804 -30.7803 -0.2475 -0.2425 6.7605 6.7716 11.1186 11.1277 12.5734 12.6071 13.1958 13.2905 13.3319 13.3812 13.8317 13.8806 15.7851 15.8115 17.1086 17.1210 23.6107 23.6325 24.5275 24.6308 k = 0.4393 0.3850 0.1260 ( 3230 PWs) bands (ev): -30.7798 -30.7798 -0.2151 -0.2097 6.7882 6.8005 11.0683 11.0772 12.5554 12.5887 13.1808 13.2806 13.3190 13.3723 13.8105 13.8622 15.6910 15.7212 17.1691 17.1817 23.6292 23.6487 24.6389 24.7431 k = 0.4350 0.3929 0.1350 ( 3226 PWs) bands (ev): -30.7793 -30.7792 -0.1805 -0.1746 6.8176 6.8312 11.0113 11.0198 12.5377 12.5701 13.1659 13.2698 13.3049 13.3614 13.7908 13.8447 15.5994 15.6333 17.2330 17.2457 23.6432 23.6604 24.7481 24.8523 k = 0.4307 0.4008 0.1440 ( 3226 PWs) bands (ev): -30.7786 -30.7786 -0.1435 -0.1373 6.8486 6.8636 10.9475 10.9551 12.5206 12.5518 13.1513 13.2583 13.2894 13.3482 13.7730 13.8286 15.5110 15.5487 17.2999 17.3127 23.6527 23.6676 24.8535 24.9571 k = 0.4263 0.4087 0.1530 ( 3222 PWs) bands (ev): -30.7780 -30.7780 -0.1044 -0.0978 6.8813 6.8978 10.8766 10.8830 12.5044 12.5341 13.1369 13.2458 13.2729 13.3328 13.7575 13.8140 15.4267 15.4681 17.3698 17.3825 23.6577 23.6703 24.9544 25.0570 k = 0.4220 0.4166 0.1620 ( 3222 PWs) bands (ev): -30.7774 -30.7773 -0.0630 -0.0560 6.9154 6.9336 10.7986 10.8035 12.4894 12.5173 13.1227 13.2317 13.2559 13.3149 13.7444 13.8010 15.3468 15.3918 17.4423 17.4550 23.6578 23.6680 25.0502 25.1517 k = 0.4177 0.4245 0.1710 ( 3226 PWs) bands (ev): -30.7767 -30.7766 -0.0194 -0.0121 6.9509 6.9709 10.7138 10.7166 12.4755 12.5016 13.1086 13.2151 13.2394 13.2948 13.7338 13.7899 15.2718 15.3203 17.5173 17.5300 23.6525 23.6604 25.1409 25.2413 k = 0.4133 0.4324 0.1800 ( 3226 PWs) bands (ev): -30.7760 -30.7759 0.0262 0.0340 6.9875 7.0095 10.6223 10.6227 12.4630 12.4873 13.0946 13.1953 13.2242 13.2728 13.7256 13.7805 15.2020 15.2537 17.5947 17.6073 23.6412 23.6469 25.2265 25.3263 k = 0.4090 0.4403 0.1890 ( 3222 PWs) bands (ev): -30.7753 -30.7752 0.0740 0.0821 7.0252 7.0494 10.5222 10.5248 12.4519 12.4743 13.0804 13.1726 13.2102 13.2492 13.7196 13.7729 15.1375 15.1921 17.6743 17.6868 23.6232 23.6266 25.3068 25.4066 k = 0.4047 0.4482 0.1980 ( 3222 PWs) bands (ev): -30.7745 -30.7745 0.1238 0.1323 7.0638 7.0904 10.4159 10.4217 12.4421 12.4626 13.0658 13.1476 13.1969 13.2245 13.7156 13.7669 15.0783 15.1356 17.7560 17.7683 23.5978 23.5988 25.3809 25.4820 k = 0.4003 0.4560 0.2070 ( 3218 PWs) bands (ev): -30.7738 -30.7737 0.1756 0.1845 7.1029 7.1322 10.3043 10.3137 12.4334 12.4522 13.0507 13.1211 13.1839 13.1992 13.7134 13.7624 15.0244 15.0840 17.8396 17.8518 23.5628 23.5642 25.4460 25.5498 k = 0.3960 0.4639 0.2160 ( 3220 PWs) bands (ev): -30.7730 -30.7729 0.2293 0.2385 7.1423 7.1746 10.1884 10.2018 12.4258 12.4429 13.0347 13.0934 13.1710 13.1739 13.7128 13.7593 14.9758 15.0374 17.9251 17.9371 23.5179 23.5218 25.4920 25.5974 k = 0.3917 0.4718 0.2250 ( 3220 PWs) bands (ev): -30.7722 -30.7722 0.2848 0.2945 7.1816 7.2172 10.0690 10.0868 12.4190 12.4344 13.0175 13.0648 13.1493 13.1582 13.7133 13.7574 14.9323 14.9956 18.0124 18.0242 23.4633 23.4698 25.4882 25.5689 k = 0.3873 0.4797 0.2340 ( 3216 PWs) bands (ev): -30.7714 -30.7714 0.3422 0.3522 7.2204 7.2598 9.9472 9.9698 12.4128 12.4265 12.9989 13.0356 13.1260 13.1454 13.7150 13.7565 14.8937 14.9583 18.1013 18.1129 23.3986 23.4078 25.4036 25.4419 k = 0.3830 0.4876 0.2430 ( 3224 PWs) bands (ev): -30.7706 -30.7706 0.4013 0.4117 7.2582 7.3017 9.8240 9.8519 12.4069 12.4191 12.9784 13.0059 13.1046 13.1328 13.7175 13.7566 14.8598 14.9254 18.1917 18.2031 23.3235 23.3354 25.2729 25.2879 k = 0.3787 0.4955 0.2520 ( 3224 PWs) bands (ev): -30.7698 -30.7698 0.4620 0.4727 7.2943 7.3424 9.7007 9.7343 12.4012 12.4117 12.9561 12.9762 13.0853 13.1203 13.7207 13.7574 14.8304 14.8968 18.2835 18.2947 23.2382 23.2528 25.1299 25.1314 k = 0.3743 0.5034 0.2610 ( 3232 PWs) bands (ev): -30.7690 -30.7690 0.5242 0.5353 7.3278 7.3812 9.5786 9.6184 12.3954 12.4043 12.9321 12.9463 13.0683 13.1080 13.7244 13.7588 14.8053 14.8721 18.3767 18.3876 23.1428 23.1600 24.9776 24.9857 k = 0.3700 0.5113 0.2701 ( 3224 PWs) bands (ev): -30.7682 -30.7682 0.5878 0.5993 7.3578 7.4169 9.4594 9.5058 12.3893 12.3965 12.9067 12.9167 13.0535 13.0961 13.7286 13.7608 14.7842 14.8511 18.4711 18.4817 23.0381 23.0578 24.8278 24.8436 k = 0.3657 0.5192 0.2791 ( 3228 PWs) bands (ev): -30.7674 -30.7674 0.6528 0.6646 7.3831 7.4485 9.3446 9.3982 12.3826 12.3881 12.8804 12.8873 13.0406 13.0845 13.7330 13.7631 14.7669 14.8337 18.5665 18.5769 22.9249 22.9468 24.6823 24.7045 k = 0.3614 0.5271 0.2881 ( 3226 PWs) bands (ev): -30.7667 -30.7666 0.7189 0.7311 7.4023 7.4742 9.2365 9.2974 12.3752 12.3790 12.8534 12.8584 13.0294 13.0734 13.7376 13.7657 14.7532 14.8196 18.6630 18.6732 22.8043 22.8281 24.5407 24.5685 k = 0.3570 0.5349 0.2971 ( 3234 PWs) bands (ev): -30.7659 -30.7658 0.7861 0.7987 7.4136 7.4924 9.1373 9.2057 12.3669 12.3690 12.8263 12.8299 13.0197 13.0629 13.7423 13.7686 14.7428 14.8087 18.7604 18.7702 22.6773 22.7028 24.4027 24.4355 k = 0.3527 0.5428 0.3061 ( 3236 PWs) bands (ev): -30.7651 -30.7651 0.8542 0.8671 7.4154 7.5007 9.0496 9.1252 12.3576 12.3580 12.7993 12.8021 13.0114 13.0529 13.7470 13.7715 14.7355 14.8006 18.8584 18.8680 22.5452 22.5720 24.2679 24.3051 k = 0.3484 0.5507 0.3151 ( 3236 PWs) bands (ev): -30.7644 -30.7643 0.9229 0.9362 7.4061 7.4972 8.9760 9.0578 12.3458 12.3471 12.7725 12.7750 13.0042 13.0436 13.7517 13.7744 14.7311 14.7953 18.9571 18.9664 22.4091 22.4369 24.1359 24.1769 k = 0.3440 0.5586 0.3241 ( 3236 PWs) bands (ev): -30.7636 -30.7636 0.9922 1.0057 7.3845 7.4799 8.9187 9.0053 12.3325 12.3354 12.7463 12.7487 12.9980 13.0350 13.7562 13.7772 14.7293 14.7925 19.0562 19.0653 22.2701 22.2986 24.0064 24.0506 k = 0.3397 0.5665 0.3331 ( 3240 PWs) bands (ev): -30.7629 -30.7628 1.0618 1.0756 7.3500 7.4478 8.8792 8.9686 12.3179 12.3223 12.7208 12.7233 12.9927 13.0270 13.7605 13.7799 14.7301 14.7921 19.1556 19.1644 22.1292 22.1580 23.8789 23.9261 k = 0.3354 0.5744 0.3421 ( 3248 PWs) bands (ev): -30.7622 -30.7621 1.1314 1.1455 7.3030 7.4011 8.8577 8.9477 12.3021 12.3080 12.6961 12.6988 12.9883 13.0197 13.7645 13.7825 14.7332 14.7938 19.2551 19.2637 21.9871 22.0161 23.7535 23.8030 k = 0.3310 0.5823 0.3511 ( 3242 PWs) bands (ev): -30.7615 -30.7615 1.2007 1.2151 7.2446 7.3412 8.8531 8.9419 12.2851 12.2924 12.6723 12.6752 12.9845 13.0129 13.7682 13.7847 14.7384 14.7976 19.3545 19.3628 21.8448 21.8736 23.6298 23.6814 k = 0.3267 0.5902 0.3601 ( 3240 PWs) bands (ev): -30.7608 -30.7608 1.2695 1.2842 7.1767 7.2704 8.8636 8.9497 12.2670 12.2755 12.6494 12.6527 12.9812 13.0068 13.7716 13.7866 14.7455 14.8033 19.4535 19.4616 21.7027 21.7312 23.5079 23.5612 k = 0.3224 0.5981 0.3691 ( 3238 PWs) bands (ev): -30.7602 -30.7602 1.3375 1.3523 7.1016 7.1914 8.8868 8.9693 12.2478 12.2574 12.6276 12.6313 12.9785 13.0012 13.7745 13.7882 14.7545 14.8107 19.5520 19.5599 21.5615 21.5894 23.3876 23.4424 k = 0.3180 0.6060 0.3781 ( 3234 PWs) bands (ev): -30.7596 -30.7596 1.4042 1.4192 7.0214 7.1069 8.9205 8.9988 12.2275 12.2382 12.6069 12.6110 12.9761 12.9961 13.7770 13.7893 14.7652 14.8197 19.6495 19.6574 21.4217 21.4488 23.2690 23.3249 k = 0.3137 0.6138 0.3871 ( 3228 PWs) bands (ev): -30.7590 -30.7590 1.4693 1.4844 6.9383 7.0194 8.9624 9.0365 12.2064 12.2179 12.5874 12.5918 12.9740 12.9913 13.7789 13.7899 14.7774 14.8301 19.7459 19.7538 21.2838 21.3097 23.1521 23.2089 k = 0.3094 0.6217 0.3961 ( 3224 PWs) bands (ev): -30.7585 -30.7584 1.5322 1.5475 6.8544 6.9312 9.0110 9.0809 12.1844 12.1966 12.5691 12.5739 12.9721 12.9869 13.7803 13.7901 14.7910 14.8420 19.8408 19.8488 21.1480 21.1725 23.0370 23.0944 k = 0.3050 0.6296 0.4051 ( 3228 PWs) bands (ev): -30.7580 -30.7579 1.5926 1.6079 6.7714 6.8440 9.0646 9.1305 12.1616 12.1744 12.5520 12.5572 12.9703 12.9828 13.7811 13.7896 14.8059 14.8550 19.9336 19.9420 21.0148 21.0376 22.9237 22.9815 k = 0.3007 0.6375 0.4141 ( 3228 PWs) bands (ev): -30.7575 -30.7575 1.6498 1.6651 6.6909 6.7596 9.1222 9.1844 12.1383 12.1514 12.5362 12.5418 12.9687 12.9790 13.7813 13.7885 14.8221 14.8693 20.0238 20.0331 20.8847 20.9051 22.8123 22.8703 k = 0.2964 0.6454 0.4231 ( 3228 PWs) bands (ev): -30.7571 -30.7570 1.7034 1.7186 6.6143 6.6794 9.1826 9.2414 12.1144 12.1278 12.5217 12.5277 12.9672 12.9754 13.7809 13.7869 14.8394 14.8846 20.1104 20.1216 20.7583 20.7753 22.7028 22.7608 k = 0.2920 0.6533 0.4321 ( 3236 PWs) bands (ev): -30.7567 -30.7566 1.7527 1.7677 6.5430 6.6046 9.2452 9.3008 12.0901 12.1036 12.5086 12.5150 12.9658 12.9721 13.7798 13.7845 14.8577 14.9009 20.1917 20.2069 20.6372 20.6486 22.5955 22.6533 k = 0.2877 0.6612 0.4411 ( 3232 PWs) bands (ev): -30.7563 -30.7563 1.7971 1.8119 6.4780 6.5365 9.3093 9.3619 12.0655 12.0790 12.4969 12.5036 12.9644 12.9689 13.7779 13.7814 14.8769 14.9181 20.2617 20.2878 20.5259 20.5271 22.4903 22.5477 k = 0.2877 0.6612 0.4411 ( 3232 PWs) bands (ev): -30.7563 -30.7563 1.7971 1.8119 6.4780 6.5365 9.3093 9.3619 12.0655 12.0790 12.4969 12.5036 12.9644 12.9689 13.7779 13.7814 14.8769 14.9181 20.2617 20.2878 20.5259 20.5271 22.4903 22.5477 k = 0.2757 0.6583 0.4443 ( 3228 PWs) bands (ev): -30.7562 -30.7562 1.8115 1.8261 6.4569 6.5141 9.3337 9.3854 12.0563 12.0698 12.4929 12.4998 12.9630 12.9669 13.7770 13.7801 14.8848 14.9251 20.2795 20.3154 20.4764 20.4883 22.4628 22.5197 k = 0.2637 0.6555 0.4476 ( 3230 PWs) bands (ev): -30.7561 -30.7560 1.8244 1.8388 6.4379 6.4937 9.3604 9.4108 12.0467 12.0601 12.4891 12.4960 12.9597 12.9630 13.7759 13.7785 14.8938 14.9333 20.2830 20.3381 20.4193 20.4519 22.4549 22.5110 k = 0.2517 0.6526 0.4509 ( 3224 PWs) bands (ev): -30.7560 -30.7559 1.8359 1.8501 6.4210 6.4753 9.3891 9.4382 12.0366 12.0498 12.4854 12.4924 12.9546 12.9573 13.7745 13.7768 14.9041 14.9425 20.2566 20.3182 20.3943 20.4352 22.4651 22.5198 k = 0.2397 0.6498 0.4541 ( 3222 PWs) bands (ev): -30.7559 -30.7558 1.8461 1.8599 6.4060 6.4586 9.4198 9.4674 12.0260 12.0391 12.4818 12.4889 12.9478 12.9498 13.7730 13.7750 14.9152 14.9526 20.1986 20.2438 20.4154 20.4419 22.4911 22.5443 k = 0.2278 0.6469 0.4574 ( 3216 PWs) bands (ev): -30.7558 -30.7557 1.8550 1.8685 6.3928 6.4437 9.4524 9.4984 12.0148 12.0277 12.4784 12.4854 12.9394 12.9408 13.7714 13.7730 14.9272 14.9635 20.1226 20.1572 20.4428 20.4607 22.5308 22.5824 k = 0.2158 0.6440 0.4607 ( 3220 PWs) bands (ev): -30.7557 -30.7557 1.8627 1.8758 6.3814 6.4302 9.4866 9.5309 12.0031 12.0158 12.4751 12.4821 12.9295 12.9302 13.7697 13.7711 14.9398 14.9748 20.0379 20.0657 20.4711 20.4842 22.5821 22.6320 k = 0.2038 0.6412 0.4639 ( 3222 PWs) bands (ev): -30.7556 -30.7556 1.8693 1.8819 6.3715 6.4182 9.5223 9.5648 11.9908 12.0033 12.4719 12.4789 12.9182 12.9183 13.7679 13.7690 14.9529 14.9866 19.9492 19.9723 20.4993 20.5095 22.6430 22.6915 k = 0.1918 0.6383 0.4672 ( 3221 PWs) bands (ev): -30.7555 -30.7555 1.8749 1.8870 6.3631 6.4076 9.5593 9.5999 11.9780 11.9901 12.4689 12.4758 12.9054 12.9058 13.7662 13.7670 14.9663 14.9986 19.8593 19.8788 20.5269 20.5352 22.7121 22.7592 k = 0.1798 0.6355 0.4704 ( 3223 PWs) bands (ev): -30.7555 -30.7554 1.8796 1.8911 6.3559 6.3981 9.5973 9.6359 11.9645 11.9763 12.4660 12.4728 12.8915 12.8924 13.7644 13.7650 14.9799 15.0107 19.7701 19.7867 20.5538 20.5608 22.7880 22.8338 k = 0.1678 0.6326 0.4737 ( 3222 PWs) bands (ev): -30.7554 -30.7554 1.8835 1.8944 6.3500 6.3898 9.6361 9.6726 11.9506 11.9619 12.4633 12.4699 12.8769 12.8783 13.7626 13.7631 14.9934 15.0226 19.6830 19.6972 20.5797 20.5857 22.8694 22.9140 k = 0.1558 0.6297 0.4770 ( 3222 PWs) bands (ev): -30.7553 -30.7553 1.8866 1.8970 6.3451 6.3824 9.6754 9.7097 11.9361 11.9470 12.4608 12.4672 12.8619 12.8638 13.7609 13.7613 15.0068 15.0344 19.5990 19.6112 20.6045 20.6098 22.9553 22.9988 k = 0.1438 0.6269 0.4802 ( 3223 PWs) bands (ev): -30.7553 -30.7553 1.8892 1.8988 6.3412 6.3758 9.7147 9.7467 11.9212 11.9315 12.4584 12.4646 12.8468 12.8490 13.7593 13.7595 15.0199 15.0457 19.5190 19.5295 20.6281 20.6328 23.0448 23.0871 k = 0.1319 0.6240 0.4835 ( 3221 PWs) bands (ev): -30.7552 -30.7552 1.8912 1.9001 6.3381 6.3701 9.7537 9.7834 11.9061 11.9158 12.4562 12.4621 12.8317 12.8342 13.7577 13.7578 15.0325 15.0565 19.4437 19.4527 20.6503 20.6544 23.1369 23.1780 k = 0.1199 0.6211 0.4868 ( 3226 PWs) bands (ev): -30.7552 -30.7552 1.8927 1.9010 6.3358 6.3650 9.7920 9.8193 11.8907 11.8998 12.4543 12.4598 12.8170 12.8197 13.7563 13.7563 15.0446 15.0667 19.3736 19.3813 20.6710 20.6747 23.2306 23.2705 k = 0.1079 0.6183 0.4900 ( 3229 PWs) bands (ev): -30.7552 -30.7552 1.8939 1.9014 6.3341 6.3605 9.8290 9.8539 11.8755 11.8838 12.4525 12.4576 12.8030 12.8057 13.7549 13.7549 15.0560 15.0761 19.3092 19.3158 20.6901 20.6933 23.3249 23.3634 k = 0.0959 0.6154 0.4933 ( 3227 PWs) bands (ev): -30.7551 -30.7551 1.8948 1.9015 6.3330 6.3566 9.8644 9.8867 11.8605 11.8681 12.4509 12.4557 12.7897 12.7925 13.7536 13.7537 15.0666 15.0847 19.2508 19.2564 20.7075 20.7103 23.4187 23.4554 k = 0.0839 0.6126 0.4966 ( 3229 PWs) bands (ev): -30.7551 -30.7551 1.8955 1.9014 6.3323 6.3531 9.8976 9.9173 11.8462 11.8529 12.4496 12.4538 12.7776 12.7802 13.7524 13.7526 15.0763 15.0924 19.1988 19.2034 20.7231 20.7255 23.5104 23.5451 k = 0.0719 0.6097 0.4998 ( 3231 PWs) bands (ev): -30.7551 -30.7551 1.8960 1.9011 6.3321 6.3500 9.9280 9.9450 11.8328 11.8386 12.4484 12.4522 12.7667 12.7692 13.7514 13.7516 15.0851 15.0990 19.1533 19.1571 20.7367 20.7388 23.5985 23.6307 k = 0.0599 0.6068 0.5031 ( 3231 PWs) bands (ev): -30.7551 -30.7550 1.8964 1.9006 6.3323 6.3472 9.9552 9.9694 11.8207 11.8255 12.4475 12.4507 12.7573 12.7595 13.7506 13.7507 15.0928 15.1045 19.1145 19.1176 20.7485 20.7502 23.6809 23.7099 k = 0.0479 0.6040 0.5063 ( 3233 PWs) bands (ev): -30.7550 -30.7550 1.8967 1.9001 6.3327 6.3447 9.9785 9.9900 11.8102 11.8141 12.4468 12.4495 12.7494 12.7513 13.7499 13.7500 15.0995 15.1088 19.0827 19.0851 20.7582 20.7595 23.7552 23.7803 k = 0.0360 0.6011 0.5096 ( 3231 PWs) bands (ev): -30.7550 -30.7550 1.8970 1.8996 6.3335 6.3425 9.9975 10.0062 11.8017 11.8047 12.4464 12.4484 12.7432 12.7447 13.7494 13.7495 15.1050 15.1120 19.0579 19.0596 20.7658 20.7668 23.8187 23.8388 k = 0.0240 0.5983 0.5129 ( 3232 PWs) bands (ev): -30.7550 -30.7550 1.8974 1.8991 6.3345 6.3405 10.0118 10.0176 11.7955 11.7975 12.4462 12.4475 12.7389 12.7399 13.7490 13.7491 15.1093 15.1140 19.0402 19.0413 20.7713 20.7720 23.8683 23.8824 k = 0.0120 0.5954 0.5161 ( 3232 PWs) bands (ev): -30.7550 -30.7550 1.8977 1.8986 6.3357 6.3387 10.0211 10.0240 11.7919 11.7929 12.4462 12.4468 12.7363 12.7368 13.7488 13.7488 15.1123 15.1147 19.0296 19.0302 20.7747 20.7751 23.9011 23.9084 k = 0.0000 0.5925 0.5194 ( 3236 PWs) bands (ev): -30.7550 -30.7550 1.8981 1.8981 6.3371 6.3371 10.0252 10.0252 11.7910 11.7910 12.4464 12.4464 12.7356 12.7356 13.7487 13.7487 15.1141 15.1141 19.0263 19.0263 20.7760 20.7760 23.9148 23.9148 k = 0.0000 0.5925 0.5194 ( 3236 PWs) bands (ev): -30.7550 -30.7550 1.8981 1.8981 6.3371 6.3371 10.0252 10.0252 11.7910 11.7910 12.4464 12.4464 12.7356 12.7356 13.7487 13.7487 15.1141 15.1141 19.0263 19.0263 20.7760 20.7760 23.9148 23.9148 k = 0.0044 0.5846 0.5285 ( 3238 PWs) bands (ev): -30.7550 -30.7550 1.8994 1.8994 6.3378 6.3383 10.0238 10.0261 11.7907 11.7926 12.4348 12.4475 12.7358 12.7465 13.7472 13.7494 15.1139 15.1144 19.0231 19.0272 20.7582 20.7642 23.9110 23.9178 k = 0.0088 0.5766 0.5376 ( 3236 PWs) bands (ev): -30.7549 -30.7549 1.9031 1.9032 6.3406 6.3417 10.0217 10.0264 11.7917 11.7955 12.4148 12.4382 12.7470 12.7665 13.7448 13.7491 15.1137 15.1147 19.0173 19.0256 20.7119 20.7236 23.9063 23.9195 k = 0.0132 0.5686 0.5467 ( 3232 PWs) bands (ev): -30.7548 -30.7548 1.9094 1.9096 6.3455 6.3471 10.0190 10.0261 11.7938 11.7997 12.3890 12.4204 12.7672 12.7929 13.7416 13.7481 15.1136 15.1150 19.0087 19.0214 20.6394 20.6568 23.8995 23.9184 k = 0.0175 0.5606 0.5558 ( 3232 PWs) bands (ev): -30.7547 -30.7547 1.9182 1.9184 6.3524 6.3545 10.0156 10.0252 11.7971 11.8050 12.3595 12.3967 12.7939 12.8237 13.7374 13.7462 15.1134 15.1153 18.9969 19.0143 20.5444 20.5673 23.8890 23.9127 k = 0.0219 0.5526 0.5650 ( 3236 PWs) bands (ev): -30.7545 -30.7545 1.9295 1.9298 6.3613 6.3640 10.0117 10.0237 11.8013 11.8115 12.3278 12.3695 12.8248 12.8574 13.7325 13.7436 15.1133 15.1156 18.9809 19.0035 20.4314 20.4596 23.8728 23.9004 k = 0.0263 0.5446 0.5741 ( 3234 PWs) bands (ev): -30.7543 -30.7543 1.9433 1.9437 6.3722 6.3754 10.0070 10.0215 11.8062 11.8190 12.2949 12.3403 12.8585 12.8930 13.7268 13.7404 15.1132 15.1160 18.9598 18.9881 20.3049 20.3387 23.8490 23.8798 k = 0.0307 0.5366 0.5832 ( 3232 PWs) bands (ev): -30.7541 -30.7541 1.9597 1.9601 6.3851 6.3888 10.0017 10.0187 11.8116 11.8272 12.2616 12.3101 12.8940 12.9301 13.7203 13.7366 15.1131 15.1163 18.9320 18.9666 20.1701 20.2095 23.8157 23.8491 k = 0.0351 0.5287 0.5923 ( 3236 PWs) bands (ev): -30.7538 -30.7538 1.9785 1.9790 6.4000 6.4042 9.9957 10.0152 11.8171 11.8359 12.2287 12.2799 12.9305 12.9681 13.7133 13.7323 15.1130 15.1165 18.8956 18.9370 20.0321 20.0773 23.7715 23.8069 k = 0.0395 0.5207 0.6014 ( 3234 PWs) bands (ev): -30.7535 -30.7535 1.9998 2.0004 6.4168 6.4214 9.9889 10.0111 11.8221 11.8446 12.1968 12.2504 12.9676 13.0066 13.7057 13.7278 15.1129 15.1167 18.8479 18.8965 19.8965 19.9476 23.7151 23.7521 k = 0.0439 0.5127 0.6105 ( 3238 PWs) bands (ev): -30.7531 -30.7531 2.0237 2.0243 6.4354 6.4406 9.9814 10.0061 11.8257 11.8525 12.1669 12.2225 13.0048 13.0455 13.6977 13.7231 15.1127 15.1169 18.7861 18.8415 19.7692 19.8254 23.6457 23.6839 k = 0.0482 0.5047 0.6196 ( 3236 PWs) bands (ev): -30.7527 -30.7527 2.0499 2.0506 6.4559 6.4616 9.9730 10.0005 11.8270 11.8587 12.1402 12.1973 13.0419 13.0844 13.6895 13.7186 15.1124 15.1169 18.7076 18.7685 19.6556 19.7155 23.5633 23.6022 k = 0.0526 0.4967 0.6287 ( 3238 PWs) bands (ev): -30.7523 -30.7523 2.0787 2.0794 6.4782 6.4843 9.9638 9.9940 11.8245 11.8616 12.1183 12.1758 13.0784 13.1230 13.6812 13.7145 15.1121 15.1168 18.6111 18.6754 19.5596 19.6209 23.4683 23.5076 k = 0.0570 0.4887 0.6379 ( 3238 PWs) bands (ev): -30.7518 -30.7518 2.1099 2.1107 6.5022 6.5088 9.9536 9.9866 11.8169 11.8596 12.1029 12.1595 13.1139 13.1609 13.6732 13.7111 15.1117 15.1166 18.4971 18.5624 19.4824 19.5424 23.3619 23.4012 k = 0.0614 0.4807 0.6470 ( 3234 PWs) bands (ev): -30.7514 -30.7513 2.1435 2.1444 6.5278 6.5349 9.9424 9.9783 11.8029 11.8511 12.0956 12.1495 13.1480 13.1977 13.6659 13.7088 15.1111 15.1162 18.3682 18.4328 19.4218 19.4786 23.2455 23.2845 k = 0.0658 0.4727 0.6561 ( 3234 PWs) bands (ev): -30.7508 -30.7508 2.1796 2.1806 6.5551 6.5627 9.9302 9.9691 11.7822 11.8356 12.0964 12.1464 13.1801 13.2329 13.6595 13.7081 15.1104 15.1156 18.2282 18.2911 19.3745 19.4270 23.1205 23.1591 k = 0.0702 0.4648 0.6652 ( 3230 PWs) bands (ev): -30.7503 -30.7503 2.2180 2.2191 6.5840 6.5920 9.9168 9.9588 11.7553 11.8134 12.1044 12.1500 13.2098 13.2656 13.6549 13.7095 15.1094 15.1148 18.0807 18.1420 19.3368 19.3847 22.9887 23.0267 k = 0.0746 0.4568 0.6743 ( 3228 PWs) bands (ev): -30.7497 -30.7497 2.2588 2.2600 6.6143 6.6228 9.9022 9.9473 11.7232 11.7858 12.1181 12.1595 13.2363 13.2952 13.6528 13.7137 15.1083 15.1137 17.9292 17.9891 19.3058 19.3491 22.8514 22.8887 k = 0.0789 0.4488 0.6834 ( 3228 PWs) bands (ev): -30.7491 -30.7491 2.3020 2.3033 6.6461 6.6549 9.8864 9.9346 11.6870 11.7538 12.1362 12.1739 13.2591 13.3205 13.6541 13.7210 15.1070 15.1124 17.7766 17.8357 19.2790 19.3182 22.7100 22.7466 k = 0.0833 0.4408 0.6925 ( 3230 PWs) bands (ev): -30.7485 -30.7485 2.3476 2.3490 6.6791 6.6884 9.8690 9.9206 11.6474 11.7183 12.1575 12.1924 13.2777 13.3406 13.6596 13.7319 15.1054 15.1108 17.6252 17.6840 19.2550 19.2905 22.5656 22.6014 k = 0.0877 0.4328 0.7016 ( 3230 PWs) bands (ev): -30.7479 -30.7479 2.3954 2.3970 6.7135 6.7231 9.8502 9.9051 11.6051 11.6801 12.1812 12.2140 13.2918 13.3549 13.6700 13.7465 15.1035 15.1088 17.4768 17.5359 19.2326 19.2646 22.4191 22.4542 k = 0.0921 0.4248 0.7107 ( 3228 PWs) bands (ev): -30.7473 -30.7473 2.4455 2.4472 6.7489 6.7589 9.8297 9.8880 11.5606 11.6396 12.2069 12.2382 13.3015 13.3631 13.6852 13.7646 15.1013 15.1066 17.3331 17.3929 19.2108 19.2398 22.2715 22.3059 k = 0.0965 0.4168 0.7199 ( 3226 PWs) bands (ev): -30.7466 -30.7466 2.4979 2.4997 6.7854 6.7958 9.8073 9.8691 11.5143 11.5972 12.2341 12.2644 13.3070 13.3659 13.7047 13.7858 15.0987 15.1039 17.1954 17.2564 19.1891 19.2153 22.1234 22.1572 k = 0.1009 0.4088 0.7290 ( 3222 PWs) bands (ev): -30.7459 -30.7459 2.5525 2.5544 6.8229 6.8336 9.7830 9.8482 11.4664 11.5532 12.2626 12.2923 13.3089 13.3640 13.7275 13.8094 15.0958 15.1008 17.0648 17.1273 19.1670 19.1907 21.9756 22.0088 k = 0.1053 0.4009 0.7381 ( 3222 PWs) bands (ev): -30.7452 -30.7452 2.6093 2.6114 6.8612 6.8722 9.7565 9.8251 11.4171 11.5077 12.2921 12.3216 13.3076 13.3585 13.7523 13.8346 15.0925 15.0974 16.9424 17.0066 19.1441 19.1655 21.8286 21.8613 k = 0.1096 0.3929 0.7472 ( 3220 PWs) bands (ev): -30.7445 -30.7445 2.6682 2.6704 6.9003 6.9116 9.7277 9.7996 11.3666 11.4610 12.3224 12.3519 13.3038 13.3505 13.7781 13.8604 15.0888 15.0935 16.8292 16.8953 19.1201 19.1394 21.6829 21.7151 k = 0.1140 0.3849 0.7563 ( 3214 PWs) bands (ev): -30.7438 -30.7438 2.7292 2.7316 6.9400 6.9516 9.6963 9.7715 11.3152 11.4132 12.3533 12.3830 13.2982 13.3406 13.8039 13.8862 15.0846 15.0891 16.7259 16.7939 19.0948 19.1122 21.5390 21.5708 k = 0.1184 0.3769 0.7654 ( 3212 PWs) bands (ev): -30.7431 -30.7431 2.7922 2.7948 6.9802 6.9920 9.6621 9.7404 11.2632 11.3645 12.3847 12.4148 13.2911 13.3296 13.8291 13.9110 15.0800 15.0843 16.6334 16.7032 19.0681 19.0836 21.3973 21.4288 k = 0.1228 0.3689 0.7745 ( 3210 PWs) bands (ev): -30.7424 -30.7424 2.8572 2.8600 7.0208 7.0328 9.6249 9.7061 11.2108 11.3152 12.4165 12.4471 13.2830 13.3180 13.8530 13.9344 15.0748 15.0789 16.5522 16.6237 19.0396 19.0536 21.2583 21.2895 k = 0.1272 0.3609 0.7836 ( 3214 PWs) bands (ev): -30.7417 -30.7417 2.9242 2.9271 7.0616 7.0739 9.5845 9.6682 11.1583 11.2655 12.4485 12.4796 13.2743 13.3062 13.8751 13.9556 15.0692 15.0731 16.4829 16.5556 19.0095 19.0219 21.1224 21.1533 k = 0.1316 0.3529 0.7928 ( 3216 PWs) bands (ev): -30.7410 -30.7410 2.9929 2.9961 7.1026 7.1150 9.5406 9.6265 11.1062 11.2157 12.4806 12.5122 13.2653 13.2946 13.8950 13.9744 15.0631 15.0667 16.4259 16.4994 18.9775 18.9885 20.9900 21.0206 k = 0.1360 0.3449 0.8019 ( 3214 PWs) bands (ev): -30.7403 -30.7403 3.0635 3.0669 7.1436 7.1561 9.4930 9.5806 11.0548 11.1661 12.5127 12.5449 13.2563 13.2834 13.9126 13.9902 15.0564 15.0599 16.3813 16.4551 18.9436 18.9533 20.8613 20.8917 k = 0.1404 0.3370 0.8110 ( 3214 PWs) bands (ev): -30.7396 -30.7396 3.1357 3.1393 7.1845 7.1971 9.4416 9.5302 11.0046 11.1170 12.5447 12.5774 13.2475 13.2730 13.9277 14.0030 15.0492 15.0525 16.3491 16.4227 18.9078 18.9164 20.7368 20.7669 k = 0.1447 0.3290 0.8201 ( 3220 PWs) bands (ev): -30.7389 -30.7389 3.2095 3.2134 7.2251 7.2378 9.3862 9.4753 10.9559 11.0687 12.5767 12.6097 13.2391 13.2634 13.9403 14.0128 15.0415 15.0446 16.3292 16.4019 18.8701 18.8778 20.6167 20.6465 k = 0.1491 0.3210 0.8292 ( 3220 PWs) bands (ev): -30.7382 -30.7382 3.2848 3.2889 7.2654 7.2780 9.3267 9.4157 10.9091 11.0215 12.6085 12.6417 13.2313 13.2549 13.9505 14.0195 15.0332 15.0362 16.3213 16.3924 18.8305 18.8376 20.5013 20.5308 k = 0.1535 0.3130 0.8383 ( 3220 PWs) bands (ev): -30.7375 -30.7375 3.3615 3.3658 7.3050 7.3177 9.2631 9.3513 10.8645 10.9759 12.6400 12.6733 13.2241 13.2474 13.9583 14.0234 15.0243 15.0274 16.3247 16.3938 18.7891 18.7959 20.3909 20.4201 k = 0.1579 0.3050 0.8474 ( 3214 PWs) bands (ev): -30.7369 -30.7368 3.4393 3.4439 7.3441 7.3567 9.1955 9.2821 10.8225 10.9319 12.6714 12.7046 13.2178 13.2411 13.9639 14.0247 15.0149 15.0181 16.3388 16.4054 18.7461 18.7531 20.2856 20.3145 k = 0.1623 0.2970 0.8565 ( 3214 PWs) bands (ev): -30.7362 -30.7362 3.5182 3.5230 7.3823 7.3948 9.1240 9.2085 10.7831 10.8899 12.7025 12.7354 13.2124 13.2359 13.9676 14.0237 15.0050 15.0086 16.3630 16.4266 18.7017 18.7092 20.1857 20.2143 k = 0.1667 0.2890 0.8657 ( 3214 PWs) bands (ev): -30.7356 -30.7356 3.5980 3.6030 7.4195 7.4319 9.0490 9.1307 10.7466 10.8501 12.7335 12.7658 13.2080 13.2317 13.9696 14.0208 14.9946 14.9986 16.3963 16.4566 18.6562 18.6646 20.0913 20.1195 k = 0.1711 0.2811 0.8748 ( 3216 PWs) bands (ev): -30.7350 -30.7350 3.6784 3.6837 7.4557 7.4680 8.9707 9.0492 10.7130 10.8126 12.7644 12.7959 13.2044 13.2284 13.9700 14.0162 14.9838 14.9885 16.4379 16.4947 18.6100 18.6195 20.0024 20.0302 k = 0.1754 0.2731 0.8839 ( 3216 PWs) bands (ev): -30.7344 -30.7344 3.7593 3.7648 7.4907 7.5027 8.8896 8.9644 10.6822 10.7774 12.7952 12.8258 13.2018 13.2260 13.9690 14.0101 14.9727 14.9781 16.4869 16.5402 18.5637 18.5745 19.9191 19.9464 k = 0.1798 0.2651 0.8930 ( 3214 PWs) bands (ev): -30.7338 -30.7338 3.8404 3.8461 7.5243 7.5361 8.8063 8.8771 10.6543 10.7446 12.8259 12.8554 13.1999 13.2244 13.9667 14.0028 14.9614 14.9675 16.5424 16.5921 18.5178 18.5298 19.8413 19.8682 k = 0.1842 0.2571 0.9021 ( 3210 PWs) bands (ev): -30.7333 -30.7333 3.9213 3.9272 7.5565 7.5680 8.7213 8.7878 10.6291 10.7142 12.8567 12.8848 13.1987 13.2233 13.9632 13.9945 14.9501 14.9569 16.6036 16.6496 18.4729 18.4862 19.7689 19.7955 k = 0.1886 0.2491 0.9112 ( 3210 PWs) bands (ev): -30.7328 -30.7328 4.0017 4.0078 7.5870 7.5983 8.6353 8.6973 10.6065 10.6861 12.8874 12.9142 13.1981 13.2228 13.9585 13.9851 14.9388 14.9464 16.6695 16.7120 18.4296 18.4442 19.7019 19.7281 k = 0.1930 0.2411 0.9203 ( 3206 PWs) bands (ev): -30.7323 -30.7323 4.0813 4.0875 7.6159 7.6268 8.5491 8.6065 10.5863 10.6603 12.9181 12.9435 13.1979 13.2227 13.9526 13.9749 14.9278 14.9360 16.7393 16.7784 18.3886 18.4046 19.6401 19.6661 k = 0.1974 0.2331 0.9294 ( 3206 PWs) bands (ev): -30.7318 -30.7318 4.1595 4.1658 7.6428 7.6534 8.4636 8.5161 10.5684 10.6367 12.9487 12.9728 13.1980 13.2229 13.9455 13.9639 14.9172 14.9259 16.8119 16.8477 18.3509 18.3680 19.5835 19.6091 k = 0.2018 0.2251 0.9386 ( 3208 PWs) bands (ev): -30.7314 -30.7314 4.2359 4.2422 7.6677 7.6781 8.3796 8.4273 10.5527 10.6152 12.9791 13.0020 13.1984 13.2233 13.9372 13.9520 14.9072 14.9162 16.8862 16.9189 18.3172 18.3353 19.5318 19.5572 k = 0.2061 0.2172 0.9477 ( 3210 PWs) bands (ev): -30.7310 -30.7310 4.3098 4.3161 7.6905 7.7006 8.2981 8.3409 10.5390 10.5957 13.0091 13.0310 13.1990 13.2238 13.9278 13.9394 14.8978 14.9070 16.9612 16.9909 18.2884 18.3074 19.4850 19.5102 k = 0.2105 0.2092 0.9568 ( 3206 PWs) bands (ev): -30.7306 -30.7306 4.3806 4.3868 7.7109 7.7208 8.2202 8.2579 10.5273 10.5781 13.0384 13.0596 13.1996 13.2244 13.9173 13.9261 14.8892 14.8983 17.0353 17.0623 18.2656 18.2853 19.4429 19.4679 k = 0.2149 0.2012 0.9659 ( 3204 PWs) bands (ev): -30.7303 -30.7303 4.4476 4.4536 7.7287 7.7385 8.1472 8.1797 10.5173 10.5624 13.0669 13.0876 13.2003 13.2250 13.9058 13.9124 14.8815 14.8904 17.1071 17.1314 18.2498 18.2699 19.4054 19.4302 k = 0.2193 0.1932 0.9750 ( 3206 PWs) bands (ev): -30.7300 -30.7300 4.5100 4.5156 7.7435 7.7534 8.0803 8.1074 10.5091 10.5484 13.0940 13.1145 13.2009 13.2257 13.8937 13.8985 14.8748 14.8832 17.1750 17.1966 18.2420 18.2620 19.3724 19.3971 k = 0.2237 0.1852 0.9841 ( 3208 PWs) bands (ev): -30.7298 -30.7298 4.5668 4.5720 7.7548 7.7652 8.0211 8.0426 10.5024 10.5360 13.1193 13.1399 13.2017 13.2263 13.8813 13.8847 14.8692 14.8769 17.2371 17.2559 18.2429 18.2624 19.3439 19.3684 k = 0.2281 0.1772 0.9932 ( 3210 PWs) bands (ev): -30.7296 -30.7296 4.6171 4.6217 7.7621 7.7731 7.9713 7.9870 10.4974 10.5253 13.1422 13.1631 13.2026 13.2269 13.8692 13.8714 14.8645 14.8713 17.2917 17.3077 18.2526 18.2709 19.3196 19.3439 k = 0.2325 0.1692 1.0023 ( 3208 PWs) bands (ev): -30.7294 -30.7294 4.6600 4.6640 7.7647 7.7762 7.9326 7.9426 10.4938 10.5161 13.1622 13.1826 13.2042 13.2275 13.8578 13.8593 14.8609 14.8666 17.3375 17.3505 18.2700 18.2865 19.2995 19.3234 k = 0.2368 0.1612 1.0114 ( 3208 PWs) bands (ev): -30.7293 -30.7293 4.6947 4.6978 7.7627 7.7739 7.9058 7.9111 10.4917 10.5084 13.1786 13.1953 13.2091 13.2281 13.8480 13.8489 14.8584 14.8628 17.3735 17.3834 18.2927 18.3065 19.2833 19.3059 k = 0.2412 0.1533 1.0206 ( 3208 PWs) bands (ev): -30.7292 -30.7292 4.7203 4.7224 7.7582 7.7671 7.8898 7.8923 10.4910 10.5021 13.1907 13.1992 13.2185 13.2286 13.8404 13.8408 14.8568 14.8598 17.3996 17.4062 18.3163 18.3264 19.2703 19.2886 k = 0.2456 0.1453 1.0297 ( 3204 PWs) bands (ev): -30.7291 -30.7291 4.7361 4.7372 7.7545 7.7594 7.8821 7.8831 10.4917 10.4972 13.1980 13.2002 13.2258 13.2291 13.8356 13.8357 14.8562 14.8577 17.4157 17.4190 18.3352 18.3406 19.2599 19.2670 k = 0.2500 0.1373 1.0388 ( 3212 PWs) bands (ev): -30.7291 -30.7291 4.7418 4.7418 7.7546 7.7546 7.8801 7.8801 10.4938 10.4938 13.2005 13.2005 13.2289 13.2289 13.8340 13.8340 14.8565 14.8565 17.4221 17.4221 18.3441 18.3441 19.2554 19.2554 k = 0.2500 0.1373 1.0388 ( 3212 PWs) bands (ev): -30.7291 -30.7291 4.7418 4.7418 7.7546 7.7546 7.8801 7.8801 10.4938 10.4938 13.2005 13.2005 13.2289 13.2289 13.8340 13.8340 14.8565 14.8565 17.4221 17.4221 18.3441 18.3441 19.2554 19.2554 k = 0.2596 0.1426 1.0328 ( 3208 PWs) bands (ev): -30.7291 -30.7291 4.7405 4.7410 7.7535 7.7560 7.8810 7.8813 10.4923 10.4948 13.1616 13.1621 13.2678 13.2684 13.8346 13.8347 14.8562 14.8569 17.4208 17.4224 18.3406 18.3438 19.1468 19.1495 k = 0.2692 0.1478 1.0267 ( 3206 PWs) bands (ev): -30.7291 -30.7291 4.7370 4.7380 7.7526 7.7577 7.8840 7.8843 10.4905 10.4955 13.1126 13.1136 13.3178 13.3191 13.8368 13.8370 14.8561 14.8573 17.4176 17.4212 18.3308 18.3388 19.0287 19.0352 k = 0.2788 0.1531 1.0207 ( 3206 PWs) bands (ev): -30.7291 -30.7291 4.7315 4.7328 7.7522 7.7600 7.8887 7.8888 10.4881 10.4955 13.0643 13.0659 13.3677 13.3696 13.8408 13.8412 14.8559 14.8577 17.4115 17.4173 18.3123 18.3269 18.9260 18.9379 k = 0.2885 0.1584 1.0147 ( 3204 PWs) bands (ev): -30.7291 -30.7291 4.7239 4.7256 7.7527 7.7630 7.8948 7.8949 10.4852 10.4949 13.0175 13.0196 13.4163 13.4188 13.8468 13.8475 14.8556 14.8579 17.4011 17.4093 18.2828 18.3055 18.8437 18.8622 k = 0.2981 0.1637 1.0087 ( 3204 PWs) bands (ev): -30.7292 -30.7292 4.7143 4.7164 7.7542 7.7671 7.9019 7.9023 10.4817 10.4936 12.9723 12.9749 13.4627 13.4658 13.8554 13.8564 14.8552 14.8578 17.3847 17.3956 18.2425 18.2737 18.7850 18.8104 k = 0.3077 0.1690 1.0026 ( 3206 PWs) bands (ev): -30.7292 -30.7292 4.7029 4.7052 7.7569 7.7723 7.9101 7.9108 10.4775 10.4916 12.9289 12.9320 13.5060 13.5097 13.8669 13.8681 14.8545 14.8575 17.3606 17.3742 18.1952 18.2339 18.7499 18.7809 k = 0.3173 0.1742 0.9966 ( 3206 PWs) bands (ev): -30.7293 -30.7293 4.6896 4.6921 7.7610 7.7787 7.9192 7.9202 10.4725 10.4888 12.8875 12.8910 13.5456 13.5496 13.8817 13.8830 14.8536 14.8568 17.3272 17.3434 18.1473 18.1918 18.7346 18.7698 k = 0.3269 0.1795 0.9906 ( 3206 PWs) bands (ev): -30.7294 -30.7294 4.6745 4.6772 7.7665 7.7864 7.9291 7.9304 10.4668 10.4851 12.8481 12.8520 13.5807 13.5848 13.8997 13.9010 14.8523 14.8557 17.2837 17.3020 18.1050 18.1535 18.7344 18.7725 k = 0.3365 0.1848 0.9846 ( 3200 PWs) bands (ev): -30.7294 -30.7294 4.6576 4.6605 7.7735 7.7955 7.9397 7.9412 10.4603 10.4807 12.8109 12.8151 13.6110 13.6150 13.9210 13.9219 14.8507 14.8543 17.2303 17.2500 18.0723 18.1235 18.7453 18.7855 k = 0.3462 0.1901 0.9785 ( 3208 PWs) bands (ev): -30.7295 -30.7295 4.6392 4.6421 7.7820 7.8060 7.9509 7.9526 10.4531 10.4755 12.7758 12.7805 13.6366 13.6400 13.9447 13.9450 14.8487 14.8525 17.1683 17.1889 18.0509 18.1036 18.7644 18.8063 k = 0.3558 0.1954 0.9725 ( 3210 PWs) bands (ev): -30.7296 -30.7296 4.6191 4.6220 7.7920 7.8179 7.9626 7.9646 10.4451 10.4695 12.7431 12.7481 13.6580 13.6605 13.9691 13.9697 14.8464 14.8503 17.1000 17.1209 18.0406 18.0941 18.7899 18.8333 k = 0.3654 0.2006 0.9665 ( 3212 PWs) bands (ev): -30.7297 -30.7297 4.5975 4.6004 7.8036 7.8311 7.9749 7.9770 10.4364 10.4628 12.7127 12.7181 13.6756 13.6770 13.9931 13.9948 14.8437 14.8477 17.0279 17.0487 18.0401 18.0941 18.8208 18.8655 k = 0.3750 0.2059 0.9605 ( 3210 PWs) bands (ev): -30.7298 -30.7298 4.5744 4.5773 7.8166 7.8458 7.9876 7.9898 10.4270 10.4554 12.6846 12.6904 13.6902 13.6903 14.0156 14.0187 14.8406 14.8447 16.9543 16.9750 18.0482 18.1025 18.8561 18.9023 k = 0.3846 0.2112 0.9545 ( 3212 PWs) bands (ev): -30.7299 -30.7299 4.5500 4.5527 7.8309 7.8617 8.0007 8.0030 10.4169 10.4473 12.6590 12.6651 13.7006 13.7024 14.0355 14.0403 14.8372 14.8413 16.8812 16.9019 18.0635 18.1183 18.8955 18.9430 k = 0.3942 0.2165 0.9484 ( 3210 PWs) bands (ev): -30.7300 -30.7300 4.5241 4.5268 7.8467 7.8789 8.0142 8.0166 10.4063 10.4386 12.6358 12.6423 13.7086 13.7124 14.0518 14.0585 14.8334 14.8376 16.8103 16.8309 18.0853 18.1405 18.9387 18.9875 k = 0.4038 0.2218 0.9424 ( 3208 PWs) bands (ev): -30.7302 -30.7302 4.4970 4.4995 7.8637 7.8972 8.0282 8.0306 10.3951 10.4294 12.6152 12.6220 13.7145 13.7206 14.0638 14.0727 14.8294 14.8335 16.7425 16.7634 18.1127 18.1686 18.9852 19.0354 k = 0.4135 0.2270 0.9364 ( 3206 PWs) bands (ev): -30.7303 -30.7303 4.4686 4.4710 7.8818 7.9165 8.0427 8.0450 10.3835 10.4197 12.5970 12.6042 13.7183 13.7271 14.0710 14.0826 14.8250 14.8291 16.6789 16.7001 18.1453 18.2019 19.0350 19.0866 k = 0.4231 0.2323 0.9304 ( 3206 PWs) bands (ev): -30.7304 -30.7304 4.4390 4.4412 7.9010 7.9367 8.0578 8.0599 10.3714 10.4097 12.5813 12.5889 13.7200 13.7319 14.0734 14.0879 14.8203 14.8245 16.6198 16.6415 18.1826 18.2402 19.0880 19.1410 k = 0.4327 0.2376 0.9243 ( 3208 PWs) bands (ev): -30.7306 -30.7306 4.4082 4.4102 7.9210 7.9576 8.0736 8.0752 10.3591 10.3993 12.5681 12.5761 13.7195 13.7349 14.0710 14.0890 14.8154 14.8196 16.5655 16.5878 18.2245 18.2831 19.1440 19.1983 k = 0.4423 0.2429 0.9183 ( 3204 PWs) bands (ev): -30.7307 -30.7307 4.3763 4.3780 7.9418 7.9790 8.0902 8.0911 10.3465 10.3887 12.5574 12.5658 13.7165 13.7358 14.0641 14.0861 14.8102 14.8145 16.5159 16.5390 18.2706 18.3304 19.2029 19.2586 k = 0.4519 0.2482 0.9123 ( 3206 PWs) bands (ev): -30.7309 -30.7309 4.3433 4.3447 7.9630 8.0004 8.1077 8.1078 10.3338 10.3780 12.5492 12.5579 13.7106 13.7344 14.0533 14.0799 14.8049 14.8093 16.4709 16.4949 18.3207 18.3817 19.2648 19.3219 k = 0.4615 0.2534 0.9063 ( 3212 PWs) bands (ev): -30.7311 -30.7311 4.3091 4.3104 7.9846 8.0217 8.1252 8.1268 10.3211 10.3672 12.5434 12.5526 13.7016 13.7303 14.0395 14.0711 14.7995 14.8040 16.4303 16.4551 18.3746 18.4368 19.3296 19.3880 k = 0.4712 0.2587 0.9002 ( 3216 PWs) bands (ev): -30.7313 -30.7313 4.2739 4.2749 8.0062 8.0425 8.1436 8.1473 10.3084 10.3565 12.5401 12.5496 13.6891 13.7228 14.0237 14.0605 14.7939 14.7986 16.3936 16.4194 18.4318 18.4952 19.3975 19.4570 k = 0.4808 0.2640 0.8942 ( 3218 PWs) bands (ev): -30.7315 -30.7315 4.2377 4.2384 8.0277 8.0625 8.1632 8.1696 10.2958 10.3460 12.5390 12.5490 13.6730 13.7117 14.0069 14.0490 14.7883 14.7933 16.3604 16.3872 18.4919 18.5565 19.4683 19.5290 k = 0.4904 0.2693 0.8882 ( 3220 PWs) bands (ev): -30.7317 -30.7317 4.2004 4.2009 8.0486 8.0815 8.1842 8.1938 10.2836 10.3358 12.5403 12.5507 13.6530 13.6963 13.9902 14.0372 14.7828 14.7880 16.3304 16.3582 18.5547 18.6203 19.5423 19.6040 k = 0.5000 0.2746 0.8822 ( 3216 PWs) bands (ev): -30.7319 -30.7319 4.1621 4.1623 8.0688 8.0995 8.2066 8.2199 10.2718 10.3260 12.5438 12.5546 13.6293 13.6766 13.9743 14.0257 14.7773 14.7829 16.3031 16.3319 18.6195 18.6860 19.6196 19.6820 k = 0.5000 0.2746 0.8822 ( 3216 PWs) bands (ev): -30.7319 -30.7319 4.1621 4.1623 8.0688 8.0995 8.2066 8.2199 10.2718 10.3260 12.5438 12.5546 13.6293 13.6766 13.9743 14.0257 14.7773 14.7829 16.3031 16.3319 18.6195 18.6860 19.6196 19.6820 k = 0.5000 0.2746 0.8694 ( 3218 PWs) bands (ev): -30.7324 -30.7323 4.0777 4.0780 8.1097 8.1354 8.2593 8.2804 10.2456 10.3042 12.5539 12.5656 13.5742 13.6283 13.9442 14.0032 14.7658 14.7721 16.2499 16.2809 18.7621 18.8304 19.7887 19.8525 k = 0.5000 0.2746 0.8566 ( 3218 PWs) bands (ev): -30.7329 -30.7328 3.9902 3.9910 8.1488 8.1705 8.3179 8.3458 10.2163 10.2791 12.5646 12.5772 13.5179 13.5773 13.9182 13.9830 14.7538 14.7610 16.2008 16.2336 18.9111 18.9808 19.9607 20.0256 k = 0.5000 0.2746 0.8438 ( 3226 PWs) bands (ev): -30.7334 -30.7334 3.9001 3.9015 8.1870 8.2058 8.3810 8.4146 10.1838 10.2507 12.5760 12.5895 13.4619 13.5251 13.8952 13.9644 14.7417 14.7497 16.1558 16.1902 19.0659 19.1371 20.1351 20.2009 k = 0.5000 0.2746 0.8310 ( 3224 PWs) bands (ev): -30.7340 -30.7339 3.8077 3.8098 8.2255 8.2422 8.4472 8.4857 10.1479 10.2190 12.5879 12.6023 13.4072 13.4733 13.8745 13.9471 14.7293 14.7384 16.1150 16.1507 19.2262 19.2987 20.3113 20.3778 k = 0.5000 0.2746 0.8182 ( 3216 PWs) bands (ev): -30.7345 -30.7345 3.7136 3.7163 8.2648 8.2800 8.5155 8.5584 10.1087 10.1839 12.6004 12.6157 13.3546 13.4227 13.8557 13.9306 14.7170 14.7270 16.0782 16.1150 19.3918 19.4656 20.4890 20.5559 k = 0.5000 0.2746 0.8055 ( 3212 PWs) bands (ev): -30.7352 -30.7352 3.6178 3.6212 8.3052 8.3194 8.5852 8.6321 10.0665 10.1457 12.6134 12.6296 13.3047 13.3742 13.8382 13.9147 14.7048 14.7158 16.0455 16.0830 19.5624 19.6374 20.6675 20.7347 k = 0.5000 0.2746 0.7927 ( 3212 PWs) bands (ev): -30.7358 -30.7358 3.5208 3.5247 8.3470 8.3605 8.6554 8.7062 10.0213 10.1046 12.6268 12.6439 13.2580 13.3283 13.8219 13.8994 14.6928 14.7048 16.0167 16.0546 19.7376 19.8138 20.8466 20.9139 k = 0.5000 0.2746 0.7799 ( 3212 PWs) bands (ev): -30.7365 -30.7365 3.4227 3.4273 8.3903 8.4034 8.7257 8.7802 9.9738 10.0611 12.6406 12.6585 13.2147 13.2854 13.8065 13.8845 14.6811 14.6943 15.9917 16.0298 19.9173 19.9948 21.0259 21.0932 k = 0.5000 0.2746 0.7671 ( 3212 PWs) bands (ev): -30.7372 -30.7372 3.3238 3.3290 8.4351 8.4480 8.7951 8.8534 9.9245 10.0159 12.6548 12.6735 13.1750 13.2456 13.7920 13.8699 14.6699 14.6842 15.9705 16.0085 20.1012 20.1800 21.2050 21.2720 k = 0.5000 0.2746 0.7543 ( 3216 PWs) bands (ev): -30.7380 -30.7380 3.2243 3.2300 8.4815 8.4943 8.8627 8.9247 9.8746 9.9700 12.6693 12.6888 13.1390 13.2091 13.7782 13.8558 14.6593 14.6748 15.9528 15.9905 20.2890 20.3693 21.3835 21.4502 k = 0.5000 0.2746 0.7415 ( 3214 PWs) bands (ev): -30.7388 -30.7387 3.1244 3.1306 8.5295 8.5424 8.9272 8.9928 9.8256 9.9248 12.6840 12.7042 13.1067 13.1758 13.7651 13.8419 14.6494 14.6661 15.9385 15.9757 20.4806 20.5623 21.5613 21.6275 k = 0.5000 0.2746 0.7287 ( 3214 PWs) bands (ev): -30.7396 -30.7395 3.0242 3.0310 8.5790 8.5921 8.9866 9.0551 9.7802 9.8825 12.6989 12.7197 13.0779 13.1458 13.7527 13.8285 14.6404 14.6582 15.9275 15.9640 20.6755 20.7590 21.7380 21.8037 k = 0.5000 0.2746 0.7160 ( 3206 PWs) bands (ev): -30.7404 -30.7404 2.9239 2.9312 8.6299 8.6435 9.0383 9.1080 9.7421 9.8460 12.7140 12.7353 13.0525 13.1189 13.7410 13.8154 14.6323 14.6514 15.9197 15.9553 20.8736 20.9588 21.9134 21.9785 k = 0.5000 0.2746 0.7032 ( 3206 PWs) bands (ev): -30.7412 -30.7412 2.8237 2.8314 8.6821 8.6965 9.0788 9.1461 9.7173 9.8190 12.7291 12.7508 13.0305 13.0949 13.7298 13.8027 14.6253 14.6456 15.9147 15.9493 21.0744 21.1617 22.0875 22.1521 k = 0.5000 0.2746 0.6904 ( 3206 PWs) bands (ev): -30.7421 -30.7421 2.7237 2.7318 8.7354 8.7509 9.1043 9.1631 9.7121 9.8061 12.7442 12.7662 13.0115 13.0737 13.7193 13.7904 14.6195 14.6411 15.9126 15.9461 21.2774 21.3670 22.2603 22.3242 k = 0.5000 0.2746 0.6776 ( 3214 PWs) bands (ev): -30.7430 -30.7430 2.6239 2.6324 8.7892 8.8066 9.1118 9.1559 9.7302 9.8107 12.7593 12.7813 12.9956 13.0551 13.7093 13.7785 14.6151 14.6379 15.9131 15.9454 21.4823 21.5744 22.4319 22.4953 k = 0.5000 0.2746 0.6648 ( 3216 PWs) bands (ev): -30.7439 -30.7439 2.5246 2.5335 8.8424 8.8631 9.1017 9.1269 9.7696 9.8338 12.7744 12.7961 12.9824 13.0389 13.6999 13.7671 14.6121 14.6361 15.9160 15.9472 21.6883 21.7832 22.6025 22.6654 k = 0.5000 0.2746 0.6520 ( 3216 PWs) bands (ev): -30.7449 -30.7448 2.4259 2.4351 8.8915 8.9187 9.0796 9.0834 9.8251 9.8738 12.7893 12.8104 12.9719 13.0251 13.6910 13.7561 14.6107 14.6359 15.9213 15.9511 21.8946 21.9927 22.7726 22.8352 k = 0.5000 0.2746 0.6393 ( 3216 PWs) bands (ev): -30.7458 -30.7458 2.3278 2.3373 8.9236 8.9619 9.0424 9.0618 9.8915 9.9271 12.8040 12.8240 12.9639 13.0133 13.6827 13.7457 14.6110 14.6373 15.9286 15.9572 22.1004 22.2017 22.9430 23.0053 k = 0.5000 0.2746 0.6265 ( 3218 PWs) bands (ev): -30.7468 -30.7468 2.2304 2.2402 8.9125 8.9369 9.0635 9.0785 9.9649 9.9903 12.8185 12.8368 12.9585 13.0035 13.6747 13.7356 14.6131 14.6405 15.9379 15.9652 22.3043 22.4090 23.1147 23.1768 k = 0.5000 0.2746 0.6137 ( 3212 PWs) bands (ev): -30.7478 -30.7477 2.1339 2.1440 8.8652 8.8726 9.1202 9.1252 10.0431 10.0605 12.8327 12.8486 12.9556 12.9954 13.6673 13.7261 14.6170 14.6454 15.9489 15.9750 22.5051 22.6129 23.2892 23.3507 k = 0.5000 0.2746 0.6009 ( 3212 PWs) bands (ev): -30.7488 -30.7487 2.0384 2.0486 8.8007 8.8033 9.1826 9.1829 10.1246 10.1358 12.8467 12.8591 12.9552 12.9891 13.6603 13.7171 14.6230 14.6523 15.9615 15.9865 22.7012 22.8116 23.4682 23.5285 k = 0.5000 0.2746 0.5881 ( 3208 PWs) bands (ev): -30.7498 -30.7497 1.9438 1.9542 8.7256 8.7347 9.2448 9.2471 10.2083 10.2148 12.8603 12.8684 12.9572 12.9844 13.6536 13.7086 14.6310 14.6612 15.9756 15.9994 22.8909 23.0032 23.6533 23.7117 k = 0.5000 0.2746 0.5753 ( 3212 PWs) bands (ev): -30.7508 -30.7508 1.8503 1.8609 8.6488 8.6623 9.3091 9.3131 10.2938 10.2966 12.8737 12.8763 12.9615 12.9812 13.6474 13.7007 14.6411 14.6721 15.9910 16.0137 23.0729 23.1858 23.8462 23.9015 k = 0.5000 0.2746 0.5625 ( 3208 PWs) bands (ev): -30.7518 -30.7518 1.7579 1.7686 8.5711 8.5878 9.3750 9.3802 10.3804 10.3804 12.8832 12.8867 12.9676 12.9794 13.6416 13.6932 14.6534 14.6851 16.0075 16.0292 23.2460 23.3584 24.0477 24.0988 k = 0.5000 0.2746 0.5498 ( 3206 PWs) bands (ev): -30.7529 -30.7528 1.6668 1.6776 8.4930 8.5120 9.4420 9.4482 10.4658 10.4679 12.8893 12.8994 12.9754 12.9789 13.6361 13.6863 14.6680 14.7003 16.0249 16.0457 23.4098 23.5209 24.2578 24.3039 k = 0.5000 0.2746 0.5370 ( 3210 PWs) bands (ev): -30.7539 -30.7539 1.5770 1.5879 8.4149 8.4356 9.5100 9.5169 10.5523 10.5561 12.8950 12.9118 12.9797 12.9842 13.6309 13.6800 14.6849 14.7177 16.0433 16.0632 23.5643 23.6738 24.4756 24.5165 k = 0.5000 0.2746 0.5242 ( 3210 PWs) bands (ev): -30.7550 -30.7549 1.4886 1.4995 8.3372 8.3590 9.5787 9.5862 10.6397 10.6447 12.9006 12.9239 12.9817 12.9938 13.6262 13.6742 14.7042 14.7374 16.0623 16.0815 23.7099 23.8179 24.6999 24.7358 k = 0.5000 0.2746 0.5114 ( 3214 PWs) bands (ev): -30.7561 -30.7560 1.4015 1.4125 8.2600 8.2826 9.6479 9.6560 10.7277 10.7335 12.9062 12.9358 12.9849 13.0038 13.6217 13.6690 14.7259 14.7593 16.0819 16.1004 23.8473 23.9542 24.9293 24.9605 k = 0.5000 0.2746 0.4986 ( 3214 PWs) bands (ev): -30.7571 -30.7571 1.3160 1.3269 8.1835 8.2067 9.7175 9.7262 10.8160 10.8223 12.9120 12.9474 12.9893 13.0142 13.6177 13.6644 14.7499 14.7835 16.1020 16.1199 23.9771 24.0835 25.1621 25.1895 k = 0.5000 0.2746 0.4858 ( 3214 PWs) bands (ev): -30.7582 -30.7581 1.2320 1.2429 8.1080 8.1314 9.7873 9.7965 10.9045 10.9110 12.9182 12.9588 12.9947 13.0247 13.6140 13.6604 14.7764 14.8101 16.1225 16.1398 24.0997 24.2064 25.3970 25.4212 k = 0.5000 0.2746 0.4730 ( 3220 PWs) bands (ev): -30.7592 -30.7592 1.1495 1.1604 8.0336 8.0571 9.8573 9.8669 10.9930 10.9994 12.9248 12.9701 13.0013 13.0354 13.6106 13.6571 14.8054 14.8390 16.1432 16.1601 24.2155 24.3232 25.6326 25.6542 k = 0.5000 0.2746 0.4603 ( 3220 PWs) bands (ev): -30.7603 -30.7603 1.0688 1.0795 7.9605 7.9839 9.9271 9.9372 11.0812 11.0873 12.9318 12.9814 13.0089 13.0462 13.6077 13.6544 14.8368 14.8702 16.1641 16.1806 24.3244 24.4339 25.8674 25.8868 k = 0.5000 0.2746 0.4475 ( 3220 PWs) bands (ev): -30.7614 -30.7613 0.9897 1.0003 7.8886 7.9119 9.9967 10.0072 11.1691 11.1746 12.9393 12.9926 13.0175 13.0570 13.6052 13.6525 14.8706 14.9037 16.1850 16.2013 24.4260 24.5379 26.1000 26.1164 k = 0.5000 0.2746 0.4347 ( 3212 PWs) bands (ev): -30.7624 -30.7624 0.9123 0.9229 7.8182 7.8412 10.0659 10.0768 11.2564 11.2611 12.9472 13.0037 13.0273 13.0680 13.6032 13.6513 14.9069 14.9396 16.2060 16.2221 24.5197 24.6345 26.3279 26.3351 k = 0.5000 0.2746 0.4219 ( 3206 PWs) bands (ev): -30.7634 -30.7634 0.8367 0.8471 7.7493 7.7719 10.1346 10.1459 11.3430 11.3465 12.9556 13.0149 13.0381 13.0791 13.6016 13.6509 14.9456 14.9778 16.2270 16.2429 24.6045 24.7227 26.4775 26.5082 k = 0.5000 0.2746 0.4091 ( 3204 PWs) bands (ev): -30.7645 -30.7644 0.7630 0.7732 7.6820 7.7042 10.2026 10.2142 11.4286 11.4308 12.9645 13.0261 13.0501 13.0903 13.6006 13.6513 14.9867 15.0183 16.2478 16.2636 24.6791 24.8010 26.4958 26.5023 k = 0.5000 0.2746 0.3963 ( 3208 PWs) bands (ev): -30.7655 -30.7654 0.6911 0.7012 7.6164 7.6380 10.2697 10.2817 11.5130 11.5136 12.9738 13.0374 13.0631 13.1017 13.6001 13.6525 15.0302 15.0611 16.2685 16.2843 24.7421 24.8676 26.4985 26.5000 k = 0.5000 0.2746 0.3836 ( 3212 PWs) bands (ev): -30.7665 -30.7665 0.6211 0.6310 7.5524 7.5736 10.3358 10.3481 11.5949 11.5961 12.9836 13.0488 13.0773 13.1133 13.6003 13.6546 15.0760 15.1061 16.2890 16.3048 24.7920 24.9208 26.5057 26.5063 k = 0.5000 0.2746 0.3708 ( 3208 PWs) bands (ev): -30.7675 -30.7675 0.5531 0.5628 7.4903 7.5109 10.4007 10.4133 11.6742 11.6776 12.9939 13.0604 13.0925 13.1252 13.6012 13.6577 15.1242 15.1534 16.3093 16.3251 24.8277 24.9590 26.5221 26.5236 k = 0.5000 0.2746 0.3580 ( 3212 PWs) bands (ev): -30.7685 -30.7684 0.4870 0.4965 7.4300 7.4500 10.4643 10.4771 11.7516 11.7572 13.0046 13.0722 13.1087 13.1373 13.6029 13.6618 15.1746 15.2029 16.3293 16.3452 24.8485 24.9815 26.5509 26.5523 k = 0.5000 0.2746 0.3452 ( 3216 PWs) bands (ev): -30.7695 -30.7694 0.4230 0.4322 7.3716 7.3909 10.5264 10.5394 11.8266 11.8348 13.0159 13.0843 13.1258 13.1497 13.6054 13.6670 15.2272 15.2545 16.3490 16.3651 24.8547 24.9881 26.5923 26.5929 k = 0.5000 0.2746 0.3324 ( 3220 PWs) bands (ev): -30.7704 -30.7704 0.3610 0.3700 7.3151 7.3338 10.5868 10.6000 11.8990 11.9101 13.0276 13.0966 13.1439 13.1624 13.6090 13.6732 15.2820 15.3082 16.3684 16.3847 24.8471 24.9799 26.6445 26.6455 k = 0.5000 0.2746 0.3196 ( 3224 PWs) bands (ev): -30.7713 -30.7713 0.3011 0.3099 7.2605 7.2785 10.6454 10.6588 11.9687 11.9828 13.0399 13.1091 13.1626 13.1753 13.6138 13.6807 15.3389 15.3639 16.3876 16.4040 24.8271 24.9585 26.7052 26.7080 k = 0.5000 0.2746 0.3068 ( 3228 PWs) bands (ev): -30.7722 -30.7722 0.2433 0.2518 7.2080 7.2253 10.7022 10.7156 12.0355 12.0527 13.0526 13.1220 13.1820 13.1885 13.6198 13.6894 15.3977 15.4216 16.4064 16.4230 24.7966 24.9260 26.6032 26.6039 k = 0.5000 0.2746 0.2941 ( 3228 PWs) bands (ev): -30.7731 -30.7731 0.1877 0.1959 7.1574 7.1740 10.7569 10.7703 12.0990 12.1195 13.0658 13.1351 13.2018 13.2019 13.6273 13.6994 15.4584 15.4810 16.4249 16.4418 24.7575 24.8843 26.3729 26.3739 k = 0.5000 0.2746 0.2813 ( 3234 PWs) bands (ev): -30.7740 -30.7739 0.1342 0.1421 7.1088 7.1248 10.8094 10.8229 12.1592 12.1830 13.0795 13.1484 13.2155 13.2218 13.6365 13.7107 15.5208 15.5421 16.4431 16.4602 24.7115 24.8355 26.1431 26.1444 k = 0.5000 0.2746 0.2685 ( 3234 PWs) bands (ev): -30.7748 -30.7748 0.0829 0.0906 7.0624 7.0776 10.8598 10.8732 12.2160 12.2430 13.0937 13.1619 13.2292 13.2417 13.6476 13.7234 15.5847 15.6047 16.4610 16.4783 24.6603 24.7813 25.9164 25.9178 k = 0.5000 0.2746 0.2557 ( 3234 PWs) bands (ev): -30.7756 -30.7756 0.0339 0.0412 7.0180 7.0325 10.9078 10.9211 12.2692 12.2992 13.1082 13.1755 13.2430 13.2612 13.6607 13.7375 15.6500 15.6686 16.4786 16.4962 24.6053 24.7231 25.6940 25.6956 k = 0.5000 0.2746 0.2429 ( 3236 PWs) bands (ev): -30.7764 -30.7763 -0.0129 -0.0059 6.9757 6.9894 10.9535 10.9665 12.3188 12.3516 13.1231 13.1892 13.2568 13.2799 13.6760 13.7530 15.7165 15.7336 16.4959 16.5137 24.5476 24.6621 25.4768 25.4785 k = 0.5000 0.2746 0.2301 ( 3236 PWs) bands (ev): -30.7771 -30.7771 -0.0574 -0.0507 6.9355 6.9485 10.9968 11.0095 12.3649 12.4000 13.1383 13.2029 13.2705 13.2976 13.6935 13.7698 15.7837 15.7995 16.5130 16.5310 24.4883 24.5993 25.2653 25.2673 k = 0.5000 0.2746 0.2173 ( 3236 PWs) bands (ev): -30.7778 -30.7778 -0.0996 -0.0933 6.8974 6.9097 11.0375 11.0500 12.4074 12.4445 13.1536 13.2165 13.2841 13.3140 13.7132 13.7880 15.8515 15.8658 16.5299 16.5480 24.4282 24.5355 25.0603 25.0625 k = 0.5000 0.2746 0.2046 ( 3234 PWs) bands (ev): -30.7785 -30.7784 -0.1395 -0.1335 6.8615 6.8731 11.0758 11.0879 12.4464 12.4849 13.1690 13.2299 13.2974 13.3290 13.7351 13.8073 15.9194 15.9322 16.5465 16.5648 24.3678 24.4713 24.8624 24.8648 k = 0.5000 0.2746 0.1918 ( 3242 PWs) bands (ev): -30.7791 -30.7791 -0.1771 -0.1714 6.8277 6.8386 11.1117 11.1232 12.4822 12.5214 13.1843 13.2430 13.3103 13.3424 13.7587 13.8275 15.9870 15.9984 16.5630 16.5813 24.3077 24.4071 24.6724 24.6750 k = 0.5000 0.2746 0.1790 ( 3244 PWs) bands (ev): -30.7797 -30.7797 -0.2123 -0.2070 6.7961 6.8062 11.1450 11.1560 12.5147 12.5542 13.1994 13.2558 13.3227 13.3542 13.7839 13.8486 16.0538 16.0637 16.5795 16.5978 24.2475 24.3423 24.4919 24.4945 k = 0.5000 0.2746 0.1662 ( 3248 PWs) bands (ev): -30.7803 -30.7803 -0.2452 -0.2402 6.7667 6.7760 11.1758 11.1863 12.5443 12.5834 13.2141 13.2680 13.3346 13.3646 13.8100 13.8701 16.1193 16.1277 16.5959 16.6142 24.1849 24.2675 24.3267 24.3314 k = 0.5000 0.2746 0.1534 ( 3248 PWs) bands (ev): -30.7808 -30.7808 -0.2756 -0.2711 6.7394 6.7481 11.2042 11.2141 12.5710 12.6091 13.2284 13.2796 13.3459 13.3736 13.8367 13.8918 16.1827 16.1896 16.6125 16.6306 24.1025 24.1356 24.1901 24.2391 k = 0.5000 0.2746 0.1406 ( 3252 PWs) bands (ev): -30.7813 -30.7813 -0.3037 -0.2995 6.7143 6.7223 11.2302 11.2394 12.5951 12.6316 13.2420 13.2904 13.3565 13.3814 13.8634 13.9134 16.2433 16.2488 16.6293 16.6472 23.9739 23.9842 24.1120 24.1784 k = 0.5000 0.2746 0.1279 ( 3248 PWs) bands (ev): -30.7818 -30.7817 -0.3294 -0.3255 6.6914 6.6986 11.2538 11.2623 12.6167 12.6512 13.2550 13.3004 13.3663 13.3881 13.8897 13.9344 16.3003 16.3045 16.6466 16.6641 23.8347 23.8398 24.0581 24.1239 k = 0.5000 0.2746 0.1151 ( 3248 PWs) bands (ev): -30.7822 -30.7821 -0.3526 -0.3491 6.6708 6.6772 11.2750 11.2827 12.6359 12.6681 13.2673 13.3095 13.3753 13.3938 13.9151 13.9546 16.3528 16.3558 16.6646 16.6814 23.7024 23.7055 24.0119 24.0735 k = 0.5000 0.2746 0.1023 ( 3248 PWs) bands (ev): -30.7825 -30.7825 -0.3734 -0.3703 6.6523 6.6580 11.2939 11.3008 12.6530 12.6823 13.2787 13.3174 13.3835 13.3988 13.9391 13.9736 16.4000 16.4019 16.6833 16.6992 23.5804 23.5826 23.9709 24.0271 k = 0.5000 0.2746 0.0895 ( 3246 PWs) bands (ev): -30.7829 -30.7828 -0.3917 -0.3890 6.6360 6.6410 11.3105 11.3166 12.6680 12.6942 13.2892 13.3241 13.3907 13.4030 13.9613 13.9910 16.4410 16.4422 16.7029 16.7176 23.4702 23.4719 23.9347 23.9848 k = 0.5000 0.2746 0.0767 ( 3254 PWs) bands (ev): -30.7831 -30.7831 -0.4076 -0.4053 6.6219 6.6262 11.3248 11.3302 12.6811 12.7040 13.2988 13.3296 13.3971 13.4067 13.9815 14.0065 16.4756 16.4762 16.7229 16.7361 23.3728 23.3741 23.9035 23.9471 k = 0.5000 0.2746 0.0639 ( 3258 PWs) bands (ev): -30.7834 -30.7834 -0.4210 -0.4191 6.6101 6.6137 11.3370 11.3415 12.6923 12.7116 13.3074 13.3338 13.4025 13.4097 13.9994 14.0198 16.5035 16.5038 16.7428 16.7541 23.2890 23.2899 23.8772 23.9140 k = 0.5000 0.2746 0.0511 ( 3266 PWs) bands (ev): -30.7836 -30.7836 -0.4320 -0.4304 6.6005 6.6033 11.3470 11.3506 12.7017 12.7174 13.3151 13.3367 13.4070 13.4122 14.0146 14.0308 16.5252 16.5254 16.7615 16.7707 23.2194 23.2201 23.8562 23.8858 k = 0.5000 0.2746 0.0384 ( 3266 PWs) bands (ev): -30.7838 -30.7837 -0.4405 -0.4393 6.5930 6.5952 11.3548 11.3576 12.7094 12.7213 13.3217 13.3382 13.4105 13.4141 14.0271 14.0391 16.5412 16.5414 16.7779 16.7848 23.1646 23.1651 23.8404 23.8629 k = 0.5000 0.2746 0.0256 ( 3270 PWs) bands (ev): -30.7839 -30.7839 -0.4465 -0.4457 6.5878 6.5893 11.3606 11.3624 12.7155 12.7234 13.3273 13.3385 13.4132 13.4154 14.0367 14.0446 16.5522 16.5523 16.7908 16.7954 23.1251 23.1254 23.8302 23.8453 k = 0.5000 0.2746 0.0128 ( 3270 PWs) bands (ev): -30.7839 -30.7839 -0.4500 -0.4496 6.5849 6.5856 11.3642 11.3651 12.7199 12.7239 13.3318 13.3375 13.4149 13.4160 14.0432 14.0472 16.5586 16.5586 16.7994 16.8017 23.1013 23.1015 23.8256 23.8331 k = 0.5000 0.2746 0.0000 ( 3270 PWs) bands (ev): -30.7840 -30.7840 -0.4511 -0.4511 6.5841 6.5841 11.3657 11.3657 12.7227 12.7227 13.3352 13.3352 13.4159 13.4159 14.0467 14.0467 16.5607 16.5607 16.8031 16.8031 23.0934 23.0934 23.8265 23.8265 k = 0.0000 0.0000 1.0388 ( 3212 PWs) bands (ev): -30.7291 -30.7291 4.7519 4.7519 7.6770 7.6770 7.9745 7.9745 10.4097 10.4097 12.4844 12.4844 13.9083 13.9083 14.3998 14.3998 14.8566 14.8566 17.0127 17.0127 17.6310 17.6310 18.2468 18.2468 k = 0.0109 0.0060 1.0388 ( 3218 PWs) bands (ev): -30.7291 -30.7291 4.7518 4.7518 7.6773 7.6773 7.9742 7.9742 10.4100 10.4100 12.4859 12.4859 13.9080 13.9080 14.3954 14.3954 14.8566 14.8566 17.0192 17.0192 17.6298 17.6298 18.2475 18.2475 k = 0.0217 0.0119 1.0388 ( 3218 PWs) bands (ev): -30.7291 -30.7291 4.7517 4.7517 7.6780 7.6780 7.9732 7.9732 10.4112 10.4112 12.4904 12.4904 13.9070 13.9070 14.3821 14.3821 14.8567 14.8567 17.0384 17.0384 17.6264 17.6264 18.2494 18.2494 k = 0.0326 0.0179 1.0388 ( 3222 PWs) bands (ev): -30.7291 -30.7291 4.7515 4.7515 7.6793 7.6793 7.9716 7.9716 10.4131 10.4131 12.4979 12.4979 13.9054 13.9054 14.3605 14.3605 14.8567 14.8567 17.0701 17.0701 17.6208 17.6208 18.2524 18.2524 k = 0.0435 0.0239 1.0388 ( 3218 PWs) bands (ev): -30.7291 -30.7291 4.7511 4.7511 7.6810 7.6810 7.9694 7.9694 10.4156 10.4156 12.5083 12.5083 13.9031 13.9031 14.3311 14.3311 14.8567 14.8567 17.1135 17.1135 17.6132 17.6132 18.2565 18.2565 k = 0.0543 0.0298 1.0388 ( 3214 PWs) bands (ev): -30.7291 -30.7291 4.7507 4.7507 7.6832 7.6832 7.9665 7.9665 10.4189 10.4189 12.5218 12.5218 13.9003 13.9003 14.2947 14.2947 14.8567 14.8567 17.1680 17.1680 17.6039 17.6039 18.2615 18.2615 k = 0.0652 0.0358 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7503 4.7503 7.6859 7.6859 7.9630 7.9630 10.4227 10.4227 12.5381 12.5381 13.8969 13.8969 14.2521 14.2521 14.8567 14.8567 17.2326 17.2326 17.5931 17.5931 18.2672 18.2672 k = 0.0761 0.0418 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7497 4.7497 7.6890 7.6890 7.9591 7.9591 10.4271 10.4271 12.5574 12.5574 13.8930 13.8930 14.2041 14.2041 14.8567 14.8567 17.3065 17.3065 17.5811 17.5811 18.2735 18.2735 k = 0.0870 0.0478 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7492 4.7492 7.6925 7.6925 7.9545 7.9545 10.4319 10.4319 12.5795 12.5795 13.8888 13.8888 14.1517 14.1517 14.8566 14.8566 17.3887 17.3887 17.5685 17.5685 18.2801 18.2801 k = 0.0978 0.0537 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7485 4.7485 7.6964 7.6964 7.9496 7.9496 10.4371 10.4371 12.6045 12.6045 13.8841 13.8841 14.0957 14.0957 14.8566 14.8566 17.4772 17.4772 17.5567 17.5567 18.2870 18.2870 k = 0.1087 0.0597 1.0388 ( 3206 PWs) bands (ev): -30.7291 -30.7291 4.7479 4.7479 7.7007 7.7007 7.9442 7.9442 10.4426 10.4426 12.6322 12.6322 13.8792 13.8792 14.0367 14.0367 14.8566 14.8566 17.5334 17.5334 17.5838 17.5838 18.2939 18.2939 k = 0.1196 0.0657 1.0388 ( 3204 PWs) bands (ev): -30.7291 -30.7291 4.7472 4.7472 7.7053 7.7053 7.9385 7.9385 10.4483 10.4483 12.6626 12.6626 13.8741 13.8741 13.9755 13.9755 14.8566 14.8566 17.5234 17.5234 17.6834 17.6834 18.3007 18.3007 k = 0.1304 0.0716 1.0388 ( 3208 PWs) bands (ev): -30.7291 -30.7291 4.7465 4.7465 7.7101 7.7101 7.9324 7.9324 10.4540 10.4540 12.6957 12.6957 13.8684 13.8684 13.9131 13.9131 14.8566 14.8566 17.5101 17.5101 17.7923 17.7923 18.3074 18.3074 k = 0.1413 0.0776 1.0388 ( 3208 PWs) bands (ev): -30.7291 -30.7291 4.7458 4.7458 7.7152 7.7152 7.9262 7.9262 10.4597 10.4597 12.7313 12.7313 13.8456 13.8456 13.8666 13.8666 14.8566 14.8566 17.4968 17.4968 17.9068 17.9068 18.3139 18.3139 k = 0.1522 0.0836 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7451 4.7451 7.7205 7.7205 7.9198 7.9198 10.4653 10.4653 12.7696 12.7696 13.7824 13.7824 13.8599 13.8599 14.8566 14.8566 17.4841 17.4841 18.0261 18.0261 18.3202 18.3202 k = 0.1630 0.0895 1.0388 ( 3210 PWs) bands (ev): -30.7291 -30.7291 4.7445 4.7445 7.7258 7.7258 7.9135 7.9135 10.4706 10.4706 12.8102 12.8102 13.7173 13.7173 13.8549 13.8549 14.8566 14.8566 17.4720 17.4720 18.1493 18.1493 18.3267 18.3267 k = 0.1739 0.0955 1.0388 ( 3216 PWs) bands (ev): -30.7291 -30.7291 4.7439 4.7439 7.7311 7.7311 7.9072 7.9072 10.4756 10.4756 12.8533 12.8533 13.6520 13.6520 13.8504 13.8504 14.8565 14.8565 17.4610 17.4610 18.2717 18.2717 18.3377 18.3377 k = 0.1848 0.1015 1.0388 ( 3208 PWs) bands (ev): -30.7291 -30.7291 4.7434 4.7434 7.7363 7.7363 7.9011 7.9011 10.4801 10.4801 12.8986 12.8986 13.5870 13.5870 13.8463 13.8463 14.8565 14.8565 17.4511 17.4511 18.3268 18.3268 18.4194 18.4194 k = 0.1957 0.1074 1.0388 ( 3206 PWs) bands (ev): -30.7291 -30.7291 4.7429 4.7429 7.7412 7.7412 7.8955 7.8955 10.4841 10.4841 12.9462 12.9462 13.5225 13.5225 13.8427 13.8427 14.8565 14.8565 17.4425 17.4425 18.3341 18.3341 18.5520 18.5520 k = 0.2065 0.1134 1.0388 ( 3206 PWs) bands (ev): -30.7291 -30.7291 4.7425 4.7425 7.7456 7.7456 7.8904 7.8904 10.4875 10.4875 12.9958 12.9958 13.4588 13.4588 13.8396 13.8396 14.8565 14.8565 17.4353 17.4353 18.3380 18.3380 18.6908 18.6908 k = 0.2174 0.1194 1.0388 ( 3206 PWs) bands (ev): -30.7291 -30.7291 4.7422 4.7422 7.7493 7.7493 7.8862 7.8862 10.4902 10.4902 13.0475 13.0475 13.3962 13.3962 13.8372 13.8372 14.8565 14.8565 17.4296 17.4296 18.3407 18.3407 18.8333 18.8333 k = 0.2283 0.1253 1.0388 ( 3208 PWs) bands (ev): -30.7291 -30.7291 4.7420 4.7420 7.7522 7.7522 7.8829 7.8829 10.4922 10.4922 13.1009 13.1009 13.3348 13.3348 13.8354 13.8354 14.8565 14.8565 17.4255 17.4255 18.3426 18.3426 18.9789 18.9789 k = 0.2391 0.1313 1.0388 ( 3204 PWs) bands (ev): -30.7291 -30.7291 4.7419 4.7419 7.7540 7.7540 7.8808 7.8808 10.4934 10.4934 13.1557 13.1557 13.2753 13.2753 13.8343 13.8343 14.8565 14.8565 17.4230 17.4230 18.3438 18.3438 19.1269 19.1269 k = 0.2500 0.1373 1.0388 ( 3212 PWs) bands (ev): -30.7291 -30.7291 4.7418 4.7418 7.7546 7.7546 7.8801 7.8801 10.4938 10.4938 13.2005 13.2005 13.2289 13.2289 13.8340 13.8340 14.8565 14.8565 17.4221 17.4221 18.3441 18.3441 19.2554 19.2554 Writing output data file LiFeAs.save init_run : 2.03s CPU 17.35s WALL ( 1 calls) electrons : 342.10s CPU 347.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 342.08s CPU 347.12s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.15s CPU 0.61s WALL ( 1 calls) newd : 0.27s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 513 calls) cegterg : 273.28s CPU 274.83s WALL ( 680 calls) Called by sum_band: Called by *egterg: h_psi : 220.18s CPU 225.70s WALL ( 11142 calls) s_psi : 6.11s CPU 6.61s WALL ( 11142 calls) g_psi : 0.20s CPU 0.32s WALL ( 9949 calls) cdiaghg : 40.83s CPU 38.42s WALL ( 10462 calls) cegterg:over : 14.57s CPU 12.51s WALL ( 9949 calls) cegterg:upda : 1.15s CPU 3.07s WALL ( 9949 calls) cegterg:last : 1.54s CPU 2.35s WALL ( 2234 calls) Called by h_psi: h_psi:vloc : 205.62s CPU 210.71s WALL ( 11142 calls) h_psi:vnl : 14.48s CPU 14.71s WALL ( 11142 calls) add_vuspsi : 2.58s CPU 5.01s WALL ( 11142 calls) General routines calbec : 11.87s CPU 9.61s WALL ( 11142 calls) fft : 0.29s CPU 1.21s WALL ( 15 calls) fftw : 195.92s CPU 200.81s WALL ( 703856 calls) davcio : 0.06s CPU 1.56s WALL ( 1026 calls) Parallel routines fft_scatter : 106.42s CPU 107.33s WALL ( 703871 calls) PWSCF : 6m26.99s CPU 8m26.03s WALL This run was terminated on: 13:29:19 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=