Program PWSCF v.5.1.1 starts on 27Jul2015 at 14: 8: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Be3N2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 35 10 2322 575 95 Max 90 36 11 2324 596 97 Sum 2857 1145 337 74329 18745 3063 bravais-lattice index = 14 lattice parameter (alat) = 9.7433 a.u. unit-cell volume = 231.9530 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 71.0000 Ry charge density cutoff = 711.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.743320 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.847228 celldm(5)= 0.847228 celldm(6)= 0.847228 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.847228 0.531229 0.000000 ) a(3) = ( 0.847228 0.243647 0.472060 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.594845 -0.971590 ) b(2) = ( 0.000000 1.882426 -0.971590 ) b(3) = ( 0.000000 0.000000 2.118376 ) PseudoPot. # 1 for Be read from file: /home/autes/Pseudo/Be.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 3d54b317f5f631cde3ecbcbec2334fee Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 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 Be 4.00 9.01220 Be( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 424 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0076923 -0.0122680 -0.0074738), wk = 0.0023585 k( 3) = ( 0.0153846 -0.0245361 -0.0149475), wk = 0.0023585 k( 4) = ( 0.0230769 -0.0368041 -0.0224213), wk = 0.0023585 k( 5) = ( 0.0307692 -0.0490721 -0.0298951), wk = 0.0023585 k( 6) = ( 0.0384615 -0.0613402 -0.0373688), wk = 0.0023585 k( 7) = ( 0.0461539 -0.0736082 -0.0448426), wk = 0.0023585 k( 8) = ( 0.0538462 -0.0858762 -0.0523164), wk = 0.0023585 k( 9) = ( 0.0615385 -0.0981443 -0.0597901), wk = 0.0023585 k( 10) = ( 0.0692308 -0.1104123 -0.0672639), wk = 0.0023585 k( 11) = ( 0.0769231 -0.1226804 -0.0747377), wk = 0.0023585 k( 12) = ( 0.0846154 -0.1349484 -0.0822114), wk = 0.0023585 k( 13) = ( 0.0923077 -0.1472164 -0.0896852), wk = 0.0023585 k( 14) = ( 0.1000000 -0.1594845 -0.0971590), wk = 0.0023585 k( 15) = ( 0.1076923 -0.1717525 -0.1046327), wk = 0.0023585 k( 16) = ( 0.1153846 -0.1840205 -0.1121065), wk = 0.0023585 k( 17) = ( 0.1230769 -0.1962886 -0.1195802), wk = 0.0023585 k( 18) = ( 0.1307692 -0.2085566 -0.1270540), wk = 0.0023585 k( 19) = ( 0.1384615 -0.2208246 -0.1345278), wk = 0.0023585 k( 20) = ( 0.1461539 -0.2330927 -0.1420015), wk = 0.0023585 k( 21) = ( 0.1538461 -0.2453607 -0.1494753), wk = 0.0023585 k( 22) = ( 0.1615385 -0.2576287 -0.1569491), wk = 0.0023585 k( 23) = ( 0.1692308 -0.2698968 -0.1644228), wk = 0.0023585 k( 24) = ( 0.1769231 -0.2821648 -0.1718966), wk = 0.0023585 k( 25) = ( 0.1846154 -0.2944328 -0.1793704), wk = 0.0023585 k( 26) = ( 0.1923077 -0.3067009 -0.1868441), wk = 0.0023585 k( 27) = ( 0.2000000 -0.3189689 -0.1943179), wk = 0.0023585 k( 28) = ( 0.2076923 -0.3312370 -0.2017917), wk = 0.0023585 k( 29) = ( 0.2153846 -0.3435050 -0.2092654), wk = 0.0023585 k( 30) = ( 0.2230769 -0.3557730 -0.2167392), wk = 0.0023585 k( 31) = ( 0.2307692 -0.3680411 -0.2242130), wk = 0.0023585 k( 32) = ( 0.2384615 -0.3803091 -0.2316867), wk = 0.0023585 k( 33) = ( 0.2461539 -0.3925771 -0.2391605), wk = 0.0023585 k( 34) = ( 0.2538461 -0.4048452 -0.2466343), wk = 0.0023585 k( 35) = ( 0.2615385 -0.4171132 -0.2541080), wk = 0.0023585 k( 36) = ( 0.2692308 -0.4293813 -0.2615818), wk = 0.0023585 k( 37) = ( 0.2769231 -0.4416493 -0.2690556), wk = 0.0023585 k( 38) = ( 0.2846154 -0.4539173 -0.2765293), wk = 0.0023585 k( 39) = ( 0.2923077 -0.4661854 -0.2840031), wk = 0.0023585 k( 40) = ( 0.3000000 -0.4784534 -0.2914769), wk = 0.0023585 k( 41) = ( 0.3076923 -0.4907214 -0.2989506), wk = 0.0023585 k( 42) = ( 0.3153846 -0.5029895 -0.3064244), wk = 0.0023585 k( 43) = ( 0.3230769 -0.5152575 -0.3138981), wk = 0.0023585 k( 44) = ( 0.3307692 -0.5275255 -0.3213719), wk = 0.0023585 k( 45) = ( 0.3384615 -0.5397936 -0.3288457), wk = 0.0023585 k( 46) = ( 0.3461538 -0.5520616 -0.3363194), wk = 0.0023585 k( 47) = ( 0.3538462 -0.5643296 -0.3437932), wk = 0.0023585 k( 48) = ( 0.3615385 -0.5765977 -0.3512670), wk = 0.0023585 k( 49) = ( 0.3692308 -0.5888657 -0.3587407), wk = 0.0023585 k( 50) = ( 0.3769231 -0.6011338 -0.3662145), wk = 0.0023585 k( 51) = ( 0.3846154 -0.6134018 -0.3736883), wk = 0.0023585 k( 52) = ( 0.3923077 -0.6256698 -0.3811620), wk = 0.0023585 k( 53) = ( 0.4000000 -0.6379379 -0.3886358), wk = 0.0023585 k( 54) = ( 0.4076923 -0.6502059 -0.3961096), wk = 0.0023585 k( 55) = ( 0.4153846 -0.6624739 -0.4035833), wk = 0.0023585 k( 56) = ( 0.4230769 -0.6747420 -0.4110571), wk = 0.0023585 k( 57) = ( 0.4307692 -0.6870100 -0.4185309), wk = 0.0023585 k( 58) = ( 0.4384615 -0.6992780 -0.4260046), wk = 0.0023585 k( 59) = ( 0.4461539 -0.7115461 -0.4334784), wk = 0.0023585 k( 60) = ( 0.4538462 -0.7238141 -0.4409522), wk = 0.0023585 k( 61) = ( 0.4615385 -0.7360821 -0.4484259), wk = 0.0023585 k( 62) = ( 0.4692308 -0.7483502 -0.4558997), wk = 0.0023585 k( 63) = ( 0.4769231 -0.7606182 -0.4633735), wk = 0.0023585 k( 64) = ( 0.4846154 -0.7728862 -0.4708472), wk = 0.0023585 k( 65) = ( 0.4923077 -0.7851543 -0.4783210), wk = 0.0023585 k( 66) = ( 0.5000000 -0.7974223 -0.4857948), wk = 0.0023585 k( 67) = ( 0.5000000 -0.7974223 -0.4857948), wk = 0.0023585 k( 68) = ( 0.5000000 -0.7889025 -0.4997799), wk = 0.0023585 k( 69) = ( 0.5000000 -0.7803826 -0.5137652), wk = 0.0023585 k( 70) = ( 0.5000000 -0.7718627 -0.5277503), wk = 0.0023585 k( 71) = ( 0.5000000 -0.7633428 -0.5417355), wk = 0.0023585 k( 72) = ( 0.5000000 -0.7548230 -0.5557207), wk = 0.0023585 k( 73) = ( 0.5000000 -0.7463031 -0.5697059), wk = 0.0023585 k( 74) = ( 0.5000000 -0.7377832 -0.5836911), wk = 0.0023585 k( 75) = ( 0.5000000 -0.7292633 -0.5976763), wk = 0.0023585 k( 76) = ( 0.5000000 -0.7207435 -0.6116615), wk = 0.0023585 k( 77) = ( 0.5000000 -0.7122236 -0.6256467), wk = 0.0023585 k( 78) = ( 0.5000000 -0.7037037 -0.6396319), wk = 0.0023585 k( 79) = ( 0.5000000 -0.6951839 -0.6536171), wk = 0.0023585 k( 80) = ( 0.5000000 -0.6866640 -0.6676023), wk = 0.0023585 k( 81) = ( 0.5000000 -0.6781441 -0.6815875), wk = 0.0023585 k( 82) = ( 0.5000000 -0.6696243 -0.6955727), wk = 0.0023585 k( 83) = ( 0.5000000 -0.6611044 -0.7095579), wk = 0.0023585 k( 84) = ( 0.5000000 -0.6525845 -0.7235431), wk = 0.0023585 k( 85) = ( 0.5000000 -0.6440646 -0.7375283), wk = 0.0023585 k( 86) = ( 0.5000000 -0.6355448 -0.7515135), wk = 0.0023585 k( 87) = ( 0.5000000 -0.6270249 -0.7654987), wk = 0.0023585 k( 88) = ( 0.5000000 -0.6185050 -0.7794839), wk = 0.0023585 k( 89) = ( 0.5000000 -0.6099851 -0.7934691), wk = 0.0023585 k( 90) = ( 0.5000000 -0.6014653 -0.8074543), wk = 0.0023585 k( 91) = ( 0.5000000 -0.5929454 -0.8214395), wk = 0.0023585 k( 92) = ( 0.5000000 -0.5844255 -0.8354247), wk = 0.0023585 k( 93) = ( 0.5000000 -0.5759057 -0.8494099), wk = 0.0023585 k( 94) = ( 0.5000000 -0.5673858 -0.8633951), wk = 0.0023585 k( 95) = ( 0.5000000 -0.5588659 -0.8773803), wk = 0.0023585 k( 96) = ( 0.5000000 -0.5503461 -0.8913655), wk = 0.0023585 k( 97) = ( 0.5000000 -0.5418262 -0.9053507), wk = 0.0023585 k( 98) = ( 0.5000000 -0.5333063 -0.9193359), wk = 0.0023585 k( 99) = ( 0.5000000 -0.5247864 -0.9333211), wk = 0.0023585 k( 100) = ( 0.5000000 -0.5162666 -0.9473063), wk = 0.0023585 k( 101) = ( 0.5000000 -0.5077467 -0.9612915), wk = 0.0023585 k( 102) = ( 0.5000000 -0.4992268 -0.9752767), wk = 0.0023585 k( 103) = ( 0.5000000 -0.4907070 -0.9892619), wk = 0.0023585 k( 104) = ( 0.5000000 -0.4821871 -1.0032471), wk = 0.0023585 k( 105) = ( 0.5000000 -0.4736672 -1.0172322), wk = 0.0023585 k( 106) = ( 0.5000000 -0.4651473 -1.0312175), wk = 0.0023585 k( 107) = ( 0.5000000 -0.4566275 -1.0452026), wk = 0.0023585 k( 108) = ( 0.5000000 -0.4481076 -1.0591879), wk = 0.0023585 k( 109) = ( 0.8144338 -0.3576821 -0.8839912), wk = 0.0023585 k( 110) = ( 0.8099419 -0.3505182 -0.8701113), wk = 0.0023585 k( 111) = ( 0.8054500 -0.3433543 -0.8562315), wk = 0.0023585 k( 112) = ( 0.8009581 -0.3361904 -0.8423516), wk = 0.0023585 k( 113) = ( 0.7964662 -0.3290266 -0.8284718), wk = 0.0023585 k( 114) = ( 0.7919742 -0.3218626 -0.8145919), wk = 0.0023585 k( 115) = ( 0.7874823 -0.3146987 -0.8007121), wk = 0.0023585 k( 116) = ( 0.7829904 -0.3075348 -0.7868322), wk = 0.0023585 k( 117) = ( 0.7784985 -0.3003709 -0.7729524), wk = 0.0023585 k( 118) = ( 0.7740066 -0.2932070 -0.7590725), wk = 0.0023585 k( 119) = ( 0.7695147 -0.2860431 -0.7451927), wk = 0.0023585 k( 120) = ( 0.7650228 -0.2788792 -0.7313128), wk = 0.0023585 k( 121) = ( 0.7605309 -0.2717153 -0.7174330), wk = 0.0023585 k( 122) = ( 0.7560389 -0.2645514 -0.7035531), wk = 0.0023585 k( 123) = ( 0.7515470 -0.2573875 -0.6896733), wk = 0.0023585 k( 124) = ( 0.7470551 -0.2502236 -0.6757934), wk = 0.0023585 k( 125) = ( 0.7425632 -0.2430597 -0.6619136), wk = 0.0023585 k( 126) = ( 0.7380713 -0.2358958 -0.6480337), wk = 0.0023585 k( 127) = ( 0.7335794 -0.2287319 -0.6341539), wk = 0.0023585 k( 128) = ( 0.7290875 -0.2215680 -0.6202740), wk = 0.0023585 k( 129) = ( 0.7245956 -0.2144041 -0.6063942), wk = 0.0023585 k( 130) = ( 0.7201037 -0.2072402 -0.5925143), wk = 0.0023585 k( 131) = ( 0.7156117 -0.2000763 -0.5786345), wk = 0.0023585 k( 132) = ( 0.7111198 -0.1929124 -0.5647546), wk = 0.0023585 k( 133) = ( 0.7066279 -0.1857485 -0.5508748), wk = 0.0023585 k( 134) = ( 0.7021360 -0.1785846 -0.5369949), wk = 0.0023585 k( 135) = ( 0.6976441 -0.1714207 -0.5231151), wk = 0.0023585 k( 136) = ( 0.6931522 -0.1642568 -0.5092352), wk = 0.0023585 k( 137) = ( 0.6886603 -0.1570929 -0.4953554), wk = 0.0023585 k( 138) = ( 0.6841684 -0.1499290 -0.4814755), wk = 0.0023585 k( 139) = ( 0.6796765 -0.1427651 -0.4675957), wk = 0.0023585 k( 140) = ( 0.6751845 -0.1356012 -0.4537158), wk = 0.0023585 k( 141) = ( 0.6706926 -0.1284373 -0.4398360), wk = 0.0023585 k( 142) = ( 0.6662007 -0.1212734 -0.4259561), wk = 0.0023585 k( 143) = ( 0.6617088 -0.1141095 -0.4120763), wk = 0.0023585 k( 144) = ( 0.6572169 -0.1069456 -0.3981964), wk = 0.0023585 k( 145) = ( 0.6527250 -0.0997817 -0.3843166), wk = 0.0023585 k( 146) = ( 0.6482331 -0.0926178 -0.3704367), wk = 0.0023585 k( 147) = ( 0.6437412 -0.0854539 -0.3565569), wk = 0.0023585 k( 148) = ( 0.6392493 -0.0782900 -0.3426770), wk = 0.0023585 k( 149) = ( 0.6347573 -0.0711261 -0.3287972), wk = 0.0023585 k( 150) = ( 0.6302654 -0.0639622 -0.3149173), wk = 0.0023585 k( 151) = ( 0.6257735 -0.0567983 -0.3010375), wk = 0.0023585 k( 152) = ( 0.6212816 -0.0496344 -0.2871576), wk = 0.0023585 k( 153) = ( 0.6167897 -0.0424705 -0.2732778), wk = 0.0023585 k( 154) = ( 0.6122978 -0.0353066 -0.2593979), wk = 0.0023585 k( 155) = ( 0.6078059 -0.0281427 -0.2455180), wk = 0.0023585 k( 156) = ( 0.6033140 -0.0209788 -0.2316382), wk = 0.0023585 k( 157) = ( 0.5988220 -0.0138149 -0.2177584), wk = 0.0023585 k( 158) = ( 0.5943301 -0.0066510 -0.2038785), wk = 0.0023585 k( 159) = ( 0.5898382 0.0005129 -0.1899987), wk = 0.0023585 k( 160) = ( 0.5853463 0.0076768 -0.1761188), wk = 0.0023585 k( 161) = ( 0.5808544 0.0148407 -0.1622390), wk = 0.0023585 k( 162) = ( 0.5763625 0.0220046 -0.1483591), wk = 0.0023585 k( 163) = ( 0.5718706 0.0291685 -0.1344793), wk = 0.0023585 k( 164) = ( 0.5673787 0.0363324 -0.1205994), wk = 0.0023585 k( 165) = ( 0.5628868 0.0434963 -0.1067196), wk = 0.0023585 k( 166) = ( 0.5583948 0.0506602 -0.0928397), wk = 0.0023585 k( 167) = ( 0.5539029 0.0578241 -0.0789599), wk = 0.0023585 k( 168) = ( 0.5494110 0.0649880 -0.0650800), wk = 0.0023585 k( 169) = ( 0.5449191 0.0721519 -0.0512001), wk = 0.0023585 k( 170) = ( 0.5404272 0.0793158 -0.0373203), wk = 0.0023585 k( 171) = ( 0.5359353 0.0864797 -0.0234405), wk = 0.0023585 k( 172) = ( 0.5314434 0.0936436 -0.0095606), wk = 0.0023585 k( 173) = ( 0.5269515 0.1008075 0.0043192), wk = 0.0023585 k( 174) = ( 0.5224596 0.1079714 0.0181991), wk = 0.0023585 k( 175) = ( 0.5179677 0.1151353 0.0320789), wk = 0.0023585 k( 176) = ( 0.5134757 0.1222992 0.0459588), wk = 0.0023585 k( 177) = ( 0.5089838 0.1294631 0.0598387), wk = 0.0023585 k( 178) = ( 0.5044919 0.1366270 0.0737185), wk = 0.0023585 k( 179) = ( 0.5000000 0.1437909 0.0875983), wk = 0.0023585 k( 180) = ( 0.5000000 0.1437909 0.0875983), wk = 0.0023585 k( 181) = ( 0.4848485 0.1394336 0.0849438), wk = 0.0023585 k( 182) = ( 0.4696970 0.1350763 0.0822894), wk = 0.0023585 k( 183) = ( 0.4545455 0.1307190 0.0796349), wk = 0.0023585 k( 184) = ( 0.4393939 0.1263617 0.0769804), wk = 0.0023585 k( 185) = ( 0.4242424 0.1220044 0.0743259), wk = 0.0023585 k( 186) = ( 0.4090909 0.1176471 0.0716714), wk = 0.0023585 k( 187) = ( 0.3939394 0.1132898 0.0690169), wk = 0.0023585 k( 188) = ( 0.3787879 0.1089325 0.0663624), wk = 0.0023585 k( 189) = ( 0.3636364 0.1045752 0.0637079), wk = 0.0023585 k( 190) = ( 0.3484849 0.1002179 0.0610534), wk = 0.0023585 k( 191) = ( 0.3333333 0.0958606 0.0583989), wk = 0.0023585 k( 192) = ( 0.3181818 0.0915033 0.0557444), wk = 0.0023585 k( 193) = ( 0.3030303 0.0871460 0.0530899), wk = 0.0023585 k( 194) = ( 0.2878788 0.0827887 0.0504354), wk = 0.0023585 k( 195) = ( 0.2727273 0.0784314 0.0477809), wk = 0.0023585 k( 196) = ( 0.2575758 0.0740741 0.0451264), wk = 0.0023585 k( 197) = ( 0.2424242 0.0697168 0.0424719), wk = 0.0023585 k( 198) = ( 0.2272727 0.0653595 0.0398174), wk = 0.0023585 k( 199) = ( 0.2121212 0.0610022 0.0371629), wk = 0.0023585 k( 200) = ( 0.1969697 0.0566449 0.0345084), wk = 0.0023585 k( 201) = ( 0.1818182 0.0522876 0.0318539), wk = 0.0023585 k( 202) = ( 0.1666667 0.0479303 0.0291994), wk = 0.0023585 k( 203) = ( 0.1515151 0.0435730 0.0265450), wk = 0.0023585 k( 204) = ( 0.1363636 0.0392157 0.0238905), wk = 0.0023585 k( 205) = ( 0.1212121 0.0348584 0.0212360), wk = 0.0023585 k( 206) = ( 0.1060606 0.0305011 0.0185815), wk = 0.0023585 k( 207) = ( 0.0909091 0.0261438 0.0159270), wk = 0.0023585 k( 208) = ( 0.0757576 0.0217865 0.0132725), wk = 0.0023585 k( 209) = ( 0.0606061 0.0174292 0.0106180), wk = 0.0023585 k( 210) = ( 0.0454546 0.0130719 0.0079635), wk = 0.0023585 k( 211) = ( 0.0303030 0.0087146 0.0053090), wk = 0.0023585 k( 212) = ( 0.0151515 0.0043573 0.0026545), wk = 0.0023585 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 215) = ( 0.0045103 -0.0071932 -0.0139367), wk = 0.0023585 k( 216) = ( 0.0090206 -0.0143865 -0.0278734), wk = 0.0023585 k( 217) = ( 0.0135309 -0.0215797 -0.0418100), wk = 0.0023585 k( 218) = ( 0.0180412 -0.0287729 -0.0557467), wk = 0.0023585 k( 219) = ( 0.0225515 -0.0359662 -0.0696834), wk = 0.0023585 k( 220) = ( 0.0270618 -0.0431594 -0.0836201), wk = 0.0023585 k( 221) = ( 0.0315721 -0.0503526 -0.0975568), wk = 0.0023585 k( 222) = ( 0.0360824 -0.0575459 -0.1114935), wk = 0.0023585 k( 223) = ( 0.0405927 -0.0647391 -0.1254302), wk = 0.0023585 k( 224) = ( 0.0451030 -0.0719323 -0.1393668), wk = 0.0023585 k( 225) = ( 0.0496133 -0.0791256 -0.1533035), wk = 0.0023585 k( 226) = ( 0.0541237 -0.0863188 -0.1672402), wk = 0.0023585 k( 227) = ( 0.0586339 -0.0935120 -0.1811769), wk = 0.0023585 k( 228) = ( 0.0631443 -0.1007053 -0.1951136), wk = 0.0023585 k( 229) = ( 0.0676546 -0.1078985 -0.2090502), wk = 0.0023585 k( 230) = ( 0.0721649 -0.1150917 -0.2229869), wk = 0.0023585 k( 231) = ( 0.0766752 -0.1222850 -0.2369236), wk = 0.0023585 k( 232) = ( 0.0811855 -0.1294782 -0.2508603), wk = 0.0023585 k( 233) = ( 0.0856958 -0.1366714 -0.2647969), wk = 0.0023585 k( 234) = ( 0.0902061 -0.1438647 -0.2787336), wk = 0.0023585 k( 235) = ( 0.0947164 -0.1510579 -0.2926703), wk = 0.0023585 k( 236) = ( 0.0992267 -0.1582512 -0.3066070), wk = 0.0023585 k( 237) = ( 0.1037370 -0.1654444 -0.3205437), wk = 0.0023585 k( 238) = ( 0.1082473 -0.1726376 -0.3344804), wk = 0.0023585 k( 239) = ( 0.1127576 -0.1798309 -0.3484171), wk = 0.0023585 k( 240) = ( 0.1172679 -0.1870241 -0.3623537), wk = 0.0023585 k( 241) = ( 0.1217782 -0.1942173 -0.3762904), wk = 0.0023585 k( 242) = ( 0.1262885 -0.2014106 -0.3902271), wk = 0.0023585 k( 243) = ( 0.1307988 -0.2086038 -0.4041638), wk = 0.0023585 k( 244) = ( 0.1353091 -0.2157970 -0.4181005), wk = 0.0023585 k( 245) = ( 0.1398194 -0.2229903 -0.4320371), wk = 0.0023585 k( 246) = ( 0.1443297 -0.2301835 -0.4459738), wk = 0.0023585 k( 247) = ( 0.1488400 -0.2373767 -0.4599105), wk = 0.0023585 k( 248) = ( 0.1533503 -0.2445700 -0.4738472), wk = 0.0023585 k( 249) = ( 0.1578606 -0.2517632 -0.4877839), wk = 0.0023585 k( 250) = ( 0.1623709 -0.2589564 -0.5017206), wk = 0.0023585 k( 251) = ( 0.1668813 -0.2661497 -0.5156573), wk = 0.0023585 k( 252) = ( 0.1713916 -0.2733429 -0.5295939), wk = 0.0023585 k( 253) = ( 0.1759018 -0.2805361 -0.5435306), wk = 0.0023585 k( 254) = ( 0.1804122 -0.2877294 -0.5574673), wk = 0.0023585 k( 255) = ( 0.1849225 -0.2949226 -0.5714040), wk = 0.0023585 k( 256) = ( 0.1894328 -0.3021158 -0.5853407), wk = 0.0023585 k( 257) = ( 0.1939431 -0.3093091 -0.5992773), wk = 0.0023585 k( 258) = ( 0.1984534 -0.3165023 -0.6132140), wk = 0.0023585 k( 259) = ( 0.2029637 -0.3236955 -0.6271507), wk = 0.0023585 k( 260) = ( 0.2074740 -0.3308888 -0.6410874), wk = 0.0023585 k( 261) = ( 0.2119843 -0.3380820 -0.6550241), wk = 0.0023585 k( 262) = ( 0.2164946 -0.3452752 -0.6689608), wk = 0.0023585 k( 263) = ( 0.2210049 -0.3524685 -0.6828974), wk = 0.0023585 k( 264) = ( 0.2255152 -0.3596617 -0.6968341), wk = 0.0023585 k( 265) = ( 0.2300255 -0.3668549 -0.7107708), wk = 0.0023585 k( 266) = ( 0.2345358 -0.3740482 -0.7247075), wk = 0.0023585 k( 267) = ( 0.2390461 -0.3812414 -0.7386442), wk = 0.0023585 k( 268) = ( 0.2435564 -0.3884346 -0.7525808), wk = 0.0023585 k( 269) = ( 0.2480667 -0.3956279 -0.7665175), wk = 0.0023585 k( 270) = ( 0.2525770 -0.4028211 -0.7804542), wk = 0.0023585 k( 271) = ( 0.2570873 -0.4100143 -0.7943909), wk = 0.0023585 k( 272) = ( 0.2615976 -0.4172076 -0.8083276), wk = 0.0023585 k( 273) = ( 0.2661079 -0.4244008 -0.8222642), wk = 0.0023585 k( 274) = ( 0.2706182 -0.4315941 -0.8362009), wk = 0.0023585 k( 275) = ( 0.2751285 -0.4387873 -0.8501376), wk = 0.0023585 k( 276) = ( 0.2796388 -0.4459805 -0.8640743), wk = 0.0023585 k( 277) = ( 0.2841492 -0.4531737 -0.8780110), wk = 0.0023585 k( 278) = ( 0.2886594 -0.4603670 -0.8919477), wk = 0.0023585 k( 279) = ( 0.2931698 -0.4675602 -0.9058844), wk = 0.0023585 k( 280) = ( 0.2976801 -0.4747534 -0.9198210), wk = 0.0023585 k( 281) = ( 0.3021904 -0.4819467 -0.9337577), wk = 0.0023585 k( 282) = ( 0.3067007 -0.4891399 -0.9476944), wk = 0.0023585 k( 283) = ( 0.3112110 -0.4963331 -0.9616311), wk = 0.0023585 k( 284) = ( 0.3157213 -0.5035264 -0.9755678), wk = 0.0023585 k( 285) = ( 0.3202316 -0.5107196 -0.9895044), wk = 0.0023585 k( 286) = ( 0.3247419 -0.5179128 -1.0034411), wk = 0.0023585 k( 287) = ( 0.3292522 -0.5251061 -1.0173778), wk = 0.0023585 k( 288) = ( 0.3337625 -0.5322993 -1.0313145), wk = 0.0023585 k( 289) = ( 0.3382728 -0.5394926 -1.0452512), wk = 0.0023585 k( 290) = ( 0.3427831 -0.5466858 -1.0591879), wk = 0.0023585 k( 291) = ( 0.6572169 -0.4028949 -0.9715895), wk = 0.0023585 k( 292) = ( 0.6527250 -0.3872753 -0.9715895), wk = 0.0023585 k( 293) = ( 0.6482331 -0.3716557 -0.9715895), wk = 0.0023585 k( 294) = ( 0.6437412 -0.3560361 -0.9715895), wk = 0.0023585 k( 295) = ( 0.6392493 -0.3404165 -0.9715895), wk = 0.0023585 k( 296) = ( 0.6347573 -0.3247969 -0.9715895), wk = 0.0023585 k( 297) = ( 0.6302654 -0.3091773 -0.9715895), wk = 0.0023585 k( 298) = ( 0.6257735 -0.2935577 -0.9715895), wk = 0.0023585 k( 299) = ( 0.6212816 -0.2779381 -0.9715895), wk = 0.0023585 k( 300) = ( 0.6167897 -0.2623185 -0.9715895), wk = 0.0023585 k( 301) = ( 0.6122978 -0.2466989 -0.9715895), wk = 0.0023585 k( 302) = ( 0.6078059 -0.2310793 -0.9715895), wk = 0.0023585 k( 303) = ( 0.6033140 -0.2154597 -0.9715895), wk = 0.0023585 k( 304) = ( 0.5988220 -0.1998401 -0.9715895), wk = 0.0023585 k( 305) = ( 0.5943301 -0.1842206 -0.9715895), wk = 0.0023585 k( 306) = ( 0.5898382 -0.1686010 -0.9715895), wk = 0.0023585 k( 307) = ( 0.5853463 -0.1529814 -0.9715895), wk = 0.0023585 k( 308) = ( 0.5808544 -0.1373618 -0.9715895), wk = 0.0023585 k( 309) = ( 0.5763625 -0.1217422 -0.9715895), wk = 0.0023585 k( 310) = ( 0.5718706 -0.1061226 -0.9715895), wk = 0.0023585 k( 311) = ( 0.5673787 -0.0905030 -0.9715895), wk = 0.0023585 k( 312) = ( 0.5628868 -0.0748834 -0.9715895), wk = 0.0023585 k( 313) = ( 0.5583948 -0.0592638 -0.9715895), wk = 0.0023585 k( 314) = ( 0.5539029 -0.0436442 -0.9715895), wk = 0.0023585 k( 315) = ( 0.5494110 -0.0280246 -0.9715895), wk = 0.0023585 k( 316) = ( 0.5449191 -0.0124050 -0.9715895), wk = 0.0023585 k( 317) = ( 0.5404272 0.0032146 -0.9715895), wk = 0.0023585 k( 318) = ( 0.5359353 0.0188342 -0.9715895), wk = 0.0023585 k( 319) = ( 0.5314434 0.0344538 -0.9715895), wk = 0.0023585 k( 320) = ( 0.5269515 0.0500733 -0.9715895), wk = 0.0023585 k( 321) = ( 0.5224596 0.0656929 -0.9715895), wk = 0.0023585 k( 322) = ( 0.5179677 0.0813125 -0.9715895), wk = 0.0023585 k( 323) = ( 0.5134757 0.0969321 -0.9715895), wk = 0.0023585 k( 324) = ( 0.5089838 0.1125517 -0.9715895), wk = 0.0023585 k( 325) = ( 0.5044919 0.1281713 -0.9715895), wk = 0.0023585 k( 326) = ( 0.5000000 0.1437909 -0.9715895), wk = 0.0023585 k( 327) = ( 0.5000000 0.1437909 -0.9715895), wk = 0.0023585 k( 328) = ( 0.5131014 0.1475586 -0.9642897), wk = 0.0023585 k( 329) = ( 0.5262028 0.1513264 -0.9569898), wk = 0.0023585 k( 330) = ( 0.5393042 0.1550941 -0.9496899), wk = 0.0023585 k( 331) = ( 0.5524056 0.1588618 -0.9423901), wk = 0.0023585 k( 332) = ( 0.5655070 0.1626296 -0.9350902), wk = 0.0023585 k( 333) = ( 0.5786085 0.1663973 -0.9277903), wk = 0.0023585 k( 334) = ( 0.5917099 0.1701650 -0.9204905), wk = 0.0023585 k( 335) = ( 0.6048113 0.1739327 -0.9131906), wk = 0.0023585 k( 336) = ( 0.6179127 0.1777005 -0.9058908), wk = 0.0023585 k( 337) = ( 0.6310141 0.1814682 -0.8985909), wk = 0.0023585 k( 338) = ( 0.6441155 0.1852359 -0.8912910), wk = 0.0023585 k( 339) = ( 0.6572169 0.1890036 -0.8839912), wk = 0.0023585 k( 340) = ( 0.6572169 0.1890036 -0.8839912), wk = 0.0023585 k( 341) = ( 0.6546396 0.1882624 -0.8680635), wk = 0.0023585 k( 342) = ( 0.6520622 0.1875213 -0.8521358), wk = 0.0023585 k( 343) = ( 0.6494849 0.1867801 -0.8362081), wk = 0.0023585 k( 344) = ( 0.6469076 0.1860389 -0.8202804), wk = 0.0023585 k( 345) = ( 0.6443303 0.1852977 -0.8043527), wk = 0.0023585 k( 346) = ( 0.6417529 0.1845565 -0.7884250), wk = 0.0023585 k( 347) = ( 0.6391756 0.1838153 -0.7724973), wk = 0.0023585 k( 348) = ( 0.6365983 0.1830741 -0.7565696), wk = 0.0023585 k( 349) = ( 0.6340210 0.1823329 -0.7406419), wk = 0.0023585 k( 350) = ( 0.6314436 0.1815917 -0.7247142), wk = 0.0023585 k( 351) = ( 0.6288663 0.1808505 -0.7087865), wk = 0.0023585 k( 352) = ( 0.6262890 0.1801093 -0.6928588), wk = 0.0023585 k( 353) = ( 0.6237117 0.1793681 -0.6769311), wk = 0.0023585 k( 354) = ( 0.6211343 0.1786269 -0.6610034), wk = 0.0023585 k( 355) = ( 0.6185570 0.1778858 -0.6450757), wk = 0.0023585 k( 356) = ( 0.6159797 0.1771446 -0.6291480), wk = 0.0023585 k( 357) = ( 0.6134023 0.1764034 -0.6132203), wk = 0.0023585 k( 358) = ( 0.6108250 0.1756622 -0.5972926), wk = 0.0023585 k( 359) = ( 0.6082477 0.1749210 -0.5813649), wk = 0.0023585 k( 360) = ( 0.6056704 0.1741798 -0.5654372), wk = 0.0023585 k( 361) = ( 0.6030931 0.1734386 -0.5495095), wk = 0.0023585 k( 362) = ( 0.6005157 0.1726974 -0.5335818), wk = 0.0023585 k( 363) = ( 0.5979384 0.1719562 -0.5176541), wk = 0.0023585 k( 364) = ( 0.5953611 0.1712150 -0.5017264), wk = 0.0023585 k( 365) = ( 0.5927837 0.1704738 -0.4857987), wk = 0.0023585 k( 366) = ( 0.5902064 0.1697326 -0.4698711), wk = 0.0023585 k( 367) = ( 0.5876291 0.1689915 -0.4539433), wk = 0.0023585 k( 368) = ( 0.5850518 0.1682503 -0.4380157), wk = 0.0023585 k( 369) = ( 0.5824744 0.1675091 -0.4220880), wk = 0.0023585 k( 370) = ( 0.5798971 0.1667679 -0.4061603), wk = 0.0023585 k( 371) = ( 0.5773198 0.1660267 -0.3902326), wk = 0.0023585 k( 372) = ( 0.5747425 0.1652855 -0.3743049), wk = 0.0023585 k( 373) = ( 0.5721651 0.1645443 -0.3583772), wk = 0.0023585 k( 374) = ( 0.5695878 0.1638031 -0.3424495), wk = 0.0023585 k( 375) = ( 0.5670105 0.1630619 -0.3265218), wk = 0.0023585 k( 376) = ( 0.5644332 0.1623207 -0.3105941), wk = 0.0023585 k( 377) = ( 0.5618558 0.1615795 -0.2946664), wk = 0.0023585 k( 378) = ( 0.5592785 0.1608383 -0.2787387), wk = 0.0023585 k( 379) = ( 0.5567012 0.1600971 -0.2628110), wk = 0.0023585 k( 380) = ( 0.5541238 0.1593560 -0.2468833), wk = 0.0023585 k( 381) = ( 0.5515465 0.1586148 -0.2309556), wk = 0.0023585 k( 382) = ( 0.5489692 0.1578736 -0.2150279), wk = 0.0023585 k( 383) = ( 0.5463919 0.1571324 -0.1991002), wk = 0.0023585 k( 384) = ( 0.5438146 0.1563912 -0.1831725), wk = 0.0023585 k( 385) = ( 0.5412372 0.1556500 -0.1672448), wk = 0.0023585 k( 386) = ( 0.5386599 0.1549088 -0.1513171), wk = 0.0023585 k( 387) = ( 0.5360826 0.1541676 -0.1353894), wk = 0.0023585 k( 388) = ( 0.5335052 0.1534264 -0.1194617), wk = 0.0023585 k( 389) = ( 0.5309279 0.1526852 -0.1035340), wk = 0.0023585 k( 390) = ( 0.5283506 0.1519440 -0.0876063), wk = 0.0023585 k( 391) = ( 0.5257733 0.1512028 -0.0716786), wk = 0.0023585 k( 392) = ( 0.5231959 0.1504616 -0.0557509), wk = 0.0023585 k( 393) = ( 0.5206186 0.1497205 -0.0398232), wk = 0.0023585 k( 394) = ( 0.5180413 0.1489793 -0.0238955), wk = 0.0023585 k( 395) = ( 0.5154640 0.1482381 -0.0079678), wk = 0.0023585 k( 396) = ( 0.5128866 0.1474969 0.0079599), wk = 0.0023585 k( 397) = ( 0.5103093 0.1467557 0.0238876), wk = 0.0023585 k( 398) = ( 0.5077320 0.1460145 0.0398152), wk = 0.0023585 k( 399) = ( 0.5051547 0.1452733 0.0557430), wk = 0.0023585 k( 400) = ( 0.5025773 0.1445321 0.0716706), wk = 0.0023585 k( 401) = ( 0.5000000 0.1437909 0.0875983), wk = 0.0023585 k( 402) = ( 0.5000000 -0.7974223 -0.4857948), wk = 0.0023585 k( 403) = ( 0.5142925 -0.7908864 -0.4818130), wk = 0.0023585 k( 404) = ( 0.5285849 -0.7843504 -0.4778313), wk = 0.0023585 k( 405) = ( 0.5428773 -0.7778145 -0.4738495), wk = 0.0023585 k( 406) = ( 0.5571698 -0.7712785 -0.4698678), wk = 0.0023585 k( 407) = ( 0.5714622 -0.7647426 -0.4658860), wk = 0.0023585 k( 408) = ( 0.5857547 -0.7582066 -0.4619043), wk = 0.0023585 k( 409) = ( 0.6000471 -0.7516707 -0.4579226), wk = 0.0023585 k( 410) = ( 0.6143396 -0.7451347 -0.4539408), wk = 0.0023585 k( 411) = ( 0.6286320 -0.7385988 -0.4499591), wk = 0.0023585 k( 412) = ( 0.6429245 -0.7320628 -0.4459773), wk = 0.0023585 k( 413) = ( 0.6572169 -0.7255269 -0.4419956), wk = 0.0023585 k( 414) = ( 0.6715094 -0.7189909 -0.4380138), wk = 0.0023585 k( 415) = ( 0.6858018 -0.7124550 -0.4340321), wk = 0.0023585 k( 416) = ( 0.7000942 -0.7059190 -0.4300504), wk = 0.0023585 k( 417) = ( 0.7143867 -0.6993831 -0.4260686), wk = 0.0023585 k( 418) = ( 0.7286791 -0.6928471 -0.4220869), wk = 0.0023585 k( 419) = ( 0.7429716 -0.6863112 -0.4181051), wk = 0.0023585 k( 420) = ( 0.7572640 -0.6797752 -0.4141234), wk = 0.0023585 k( 421) = ( 0.7715565 -0.6732393 -0.4101416), wk = 0.0023585 k( 422) = ( 0.7858489 -0.6667033 -0.4061599), wk = 0.0023585 k( 423) = ( 0.8001414 -0.6601674 -0.4021782), wk = 0.0023585 k( 424) = ( 0.8144338 -0.6536314 -0.3981964), wk = 0.0023585 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0076923 0.0000000 0.0000000), wk = 0.0023585 k( 3) = ( 0.0153846 0.0000000 0.0000000), wk = 0.0023585 k( 4) = ( 0.0230769 0.0000000 0.0000000), wk = 0.0023585 k( 5) = ( 0.0307692 0.0000000 0.0000000), wk = 0.0023585 k( 6) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0023585 k( 7) = ( 0.0461539 0.0000000 0.0000000), wk = 0.0023585 k( 8) = ( 0.0538462 0.0000000 0.0000000), wk = 0.0023585 k( 9) = ( 0.0615385 0.0000000 0.0000000), wk = 0.0023585 k( 10) = ( 0.0692308 0.0000000 0.0000000), wk = 0.0023585 k( 11) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0023585 k( 12) = ( 0.0846154 0.0000000 -0.0000000), wk = 0.0023585 k( 13) = ( 0.0923077 0.0000000 0.0000000), wk = 0.0023585 k( 14) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0023585 k( 15) = ( 0.1076923 0.0000000 0.0000000), wk = 0.0023585 k( 16) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0023585 k( 17) = ( 0.1230769 0.0000000 0.0000000), wk = 0.0023585 k( 18) = ( 0.1307692 0.0000000 0.0000000), wk = 0.0023585 k( 19) = ( 0.1384615 0.0000000 0.0000000), wk = 0.0023585 k( 20) = ( 0.1461539 0.0000000 0.0000000), wk = 0.0023585 k( 21) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0023585 k( 22) = ( 0.1615385 0.0000000 0.0000000), wk = 0.0023585 k( 23) = ( 0.1692308 0.0000000 0.0000000), wk = 0.0023585 k( 24) = ( 0.1769231 0.0000000 -0.0000000), wk = 0.0023585 k( 25) = ( 0.1846154 0.0000000 0.0000000), wk = 0.0023585 k( 26) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0023585 k( 28) = ( 0.2076923 0.0000000 0.0000000), wk = 0.0023585 k( 29) = ( 0.2153846 0.0000000 0.0000000), wk = 0.0023585 k( 30) = ( 0.2230769 -0.0000000 0.0000000), wk = 0.0023585 k( 31) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0023585 k( 32) = ( 0.2384615 0.0000000 0.0000000), wk = 0.0023585 k( 33) = ( 0.2461539 0.0000000 0.0000000), wk = 0.0023585 k( 34) = ( 0.2538461 0.0000000 0.0000000), wk = 0.0023585 k( 35) = ( 0.2615385 0.0000000 0.0000000), wk = 0.0023585 k( 36) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0023585 k( 37) = ( 0.2769231 0.0000000 0.0000000), wk = 0.0023585 k( 38) = ( 0.2846154 0.0000000 0.0000000), wk = 0.0023585 k( 39) = ( 0.2923077 0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0023585 k( 41) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0023585 k( 42) = ( 0.3153846 0.0000000 0.0000000), wk = 0.0023585 k( 43) = ( 0.3230769 0.0000000 0.0000000), wk = 0.0023585 k( 44) = ( 0.3307692 0.0000000 0.0000000), wk = 0.0023585 k( 45) = ( 0.3384615 0.0000000 0.0000000), wk = 0.0023585 k( 46) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0023585 k( 47) = ( 0.3538462 0.0000000 0.0000000), wk = 0.0023585 k( 48) = ( 0.3615385 0.0000000 0.0000000), wk = 0.0023585 k( 49) = ( 0.3692308 0.0000000 0.0000000), wk = 0.0023585 k( 50) = ( 0.3769231 0.0000000 0.0000000), wk = 0.0023585 k( 51) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0023585 k( 52) = ( 0.3923077 0.0000000 0.0000000), wk = 0.0023585 k( 53) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0023585 k( 54) = ( 0.4076923 0.0000000 0.0000000), wk = 0.0023585 k( 55) = ( 0.4153846 0.0000000 0.0000000), wk = 0.0023585 k( 56) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0023585 k( 57) = ( 0.4307692 0.0000000 0.0000000), wk = 0.0023585 k( 58) = ( 0.4384615 0.0000000 0.0000000), wk = 0.0023585 k( 59) = ( 0.4461539 0.0000000 0.0000000), wk = 0.0023585 k( 60) = ( 0.4538462 0.0000000 0.0000000), wk = 0.0023585 k( 61) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0023585 k( 62) = ( 0.4692308 0.0000000 0.0000000), wk = 0.0023585 k( 63) = ( 0.4769231 0.0000000 0.0000000), wk = 0.0023585 k( 64) = ( 0.4846154 0.0000000 -0.0000000), wk = 0.0023585 k( 65) = ( 0.4923077 0.0000000 0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.0045260 -0.0045260), wk = 0.0023585 k( 69) = ( 0.5000000 0.0090520 -0.0090520), wk = 0.0023585 k( 70) = ( 0.5000000 0.0135780 -0.0135780), wk = 0.0023585 k( 71) = ( 0.5000000 0.0181040 -0.0181040), wk = 0.0023585 k( 72) = ( 0.5000000 0.0226300 -0.0226300), wk = 0.0023585 k( 73) = ( 0.5000000 0.0271560 -0.0271560), wk = 0.0023585 k( 74) = ( 0.5000000 0.0316820 -0.0316820), wk = 0.0023585 k( 75) = ( 0.5000000 0.0362080 -0.0362080), wk = 0.0023585 k( 76) = ( 0.5000000 0.0407340 -0.0407340), wk = 0.0023585 k( 77) = ( 0.5000000 0.0452600 -0.0452601), wk = 0.0023585 k( 78) = ( 0.5000000 0.0497861 -0.0497860), wk = 0.0023585 k( 79) = ( 0.5000000 0.0543121 -0.0543121), wk = 0.0023585 k( 80) = ( 0.5000000 0.0588381 -0.0588381), wk = 0.0023585 k( 81) = ( 0.5000000 0.0633641 -0.0633641), wk = 0.0023585 k( 82) = ( 0.5000000 0.0678901 -0.0678901), wk = 0.0023585 k( 83) = ( 0.5000000 0.0724161 -0.0724161), wk = 0.0023585 k( 84) = ( 0.5000000 0.0769421 -0.0769421), wk = 0.0023585 k( 85) = ( 0.5000000 0.0814681 -0.0814681), wk = 0.0023585 k( 86) = ( 0.5000000 0.0859941 -0.0859941), wk = 0.0023585 k( 87) = ( 0.5000000 0.0905201 -0.0905201), wk = 0.0023585 k( 88) = ( 0.5000000 0.0950461 -0.0950461), wk = 0.0023585 k( 89) = ( 0.5000000 0.0995721 -0.0995721), wk = 0.0023585 k( 90) = ( 0.5000000 0.1040981 -0.1040981), wk = 0.0023585 k( 91) = ( 0.5000000 0.1086241 -0.1086241), wk = 0.0023585 k( 92) = ( 0.5000000 0.1131501 -0.1131501), wk = 0.0023585 k( 93) = ( 0.5000000 0.1176761 -0.1176761), wk = 0.0023585 k( 94) = ( 0.5000000 0.1222021 -0.1222021), wk = 0.0023585 k( 95) = ( 0.5000000 0.1267281 -0.1267281), wk = 0.0023585 k( 96) = ( 0.5000000 0.1312541 -0.1312541), wk = 0.0023585 k( 97) = ( 0.5000000 0.1357801 -0.1357801), wk = 0.0023585 k( 98) = ( 0.5000000 0.1403062 -0.1403061), wk = 0.0023585 k( 99) = ( 0.5000000 0.1448322 -0.1448321), wk = 0.0023585 k( 100) = ( 0.5000000 0.1493582 -0.1493582), wk = 0.0023585 k( 101) = ( 0.5000000 0.1538842 -0.1538842), wk = 0.0023585 k( 102) = ( 0.5000000 0.1584102 -0.1584102), wk = 0.0023585 k( 103) = ( 0.5000000 0.1629362 -0.1629362), wk = 0.0023585 k( 104) = ( 0.5000000 0.1674622 -0.1674622), wk = 0.0023585 k( 105) = ( 0.5000000 0.1719882 -0.1719882), wk = 0.0023585 k( 106) = ( 0.5000000 0.1765142 -0.1765142), wk = 0.0023585 k( 107) = ( 0.5000000 0.1810402 -0.1810402), wk = 0.0023585 k( 108) = ( 0.5000000 0.1855662 -0.1855662), wk = 0.0023585 k( 109) = ( 0.8144338 0.5000000 0.1855662), wk = 0.0023585 k( 110) = ( 0.8099419 0.5000000 0.1900581), wk = 0.0023585 k( 111) = ( 0.8054500 0.5000000 0.1945500), wk = 0.0023585 k( 112) = ( 0.8009581 0.5000000 0.1990419), wk = 0.0023585 k( 113) = ( 0.7964662 0.5000000 0.2035338), wk = 0.0023585 k( 114) = ( 0.7919742 0.5000000 0.2080258), wk = 0.0023585 k( 115) = ( 0.7874823 0.5000000 0.2125177), wk = 0.0023585 k( 116) = ( 0.7829904 0.5000000 0.2170096), wk = 0.0023585 k( 117) = ( 0.7784985 0.5000000 0.2215015), wk = 0.0023585 k( 118) = ( 0.7740066 0.5000000 0.2259934), wk = 0.0023585 k( 119) = ( 0.7695147 0.5000000 0.2304853), wk = 0.0023585 k( 120) = ( 0.7650228 0.5000000 0.2349772), wk = 0.0023585 k( 121) = ( 0.7605309 0.5000000 0.2394691), wk = 0.0023585 k( 122) = ( 0.7560389 0.5000000 0.2439611), wk = 0.0023585 k( 123) = ( 0.7515470 0.5000000 0.2484530), wk = 0.0023585 k( 124) = ( 0.7470551 0.5000000 0.2529449), wk = 0.0023585 k( 125) = ( 0.7425632 0.5000000 0.2574368), wk = 0.0023585 k( 126) = ( 0.7380713 0.5000000 0.2619287), wk = 0.0023585 k( 127) = ( 0.7335794 0.5000000 0.2664206), wk = 0.0023585 k( 128) = ( 0.7290875 0.5000000 0.2709125), wk = 0.0023585 k( 129) = ( 0.7245956 0.5000000 0.2754044), wk = 0.0023585 k( 130) = ( 0.7201037 0.5000000 0.2798963), wk = 0.0023585 k( 131) = ( 0.7156117 0.5000000 0.2843882), wk = 0.0023585 k( 132) = ( 0.7111198 0.5000000 0.2888802), wk = 0.0023585 k( 133) = ( 0.7066279 0.5000000 0.2933721), wk = 0.0023585 k( 134) = ( 0.7021360 0.5000000 0.2978640), wk = 0.0023585 k( 135) = ( 0.6976441 0.5000000 0.3023559), wk = 0.0023585 k( 136) = ( 0.6931522 0.5000000 0.3068478), wk = 0.0023585 k( 137) = ( 0.6886603 0.5000000 0.3113397), wk = 0.0023585 k( 138) = ( 0.6841684 0.5000000 0.3158316), wk = 0.0023585 k( 139) = ( 0.6796765 0.5000000 0.3203235), wk = 0.0023585 k( 140) = ( 0.6751845 0.5000000 0.3248155), wk = 0.0023585 k( 141) = ( 0.6706926 0.5000000 0.3293074), wk = 0.0023585 k( 142) = ( 0.6662007 0.5000000 0.3337993), wk = 0.0023585 k( 143) = ( 0.6617088 0.5000000 0.3382912), wk = 0.0023585 k( 144) = ( 0.6572169 0.5000000 0.3427831), wk = 0.0023585 k( 145) = ( 0.6527250 0.5000000 0.3472750), wk = 0.0023585 k( 146) = ( 0.6482331 0.5000000 0.3517669), wk = 0.0023585 k( 147) = ( 0.6437412 0.5000000 0.3562588), wk = 0.0023585 k( 148) = ( 0.6392493 0.5000000 0.3607507), wk = 0.0023585 k( 149) = ( 0.6347573 0.5000000 0.3652427), wk = 0.0023585 k( 150) = ( 0.6302654 0.5000000 0.3697346), wk = 0.0023585 k( 151) = ( 0.6257735 0.5000000 0.3742265), wk = 0.0023585 k( 152) = ( 0.6212816 0.5000000 0.3787184), wk = 0.0023585 k( 153) = ( 0.6167897 0.5000000 0.3832103), wk = 0.0023585 k( 154) = ( 0.6122978 0.5000000 0.3877022), wk = 0.0023585 k( 155) = ( 0.6078059 0.5000000 0.3921941), wk = 0.0023585 k( 156) = ( 0.6033140 0.5000000 0.3966860), wk = 0.0023585 k( 157) = ( 0.5988220 0.5000000 0.4011779), wk = 0.0023585 k( 158) = ( 0.5943301 0.5000000 0.4056699), wk = 0.0023585 k( 159) = ( 0.5898382 0.5000000 0.4101618), wk = 0.0023585 k( 160) = ( 0.5853463 0.5000000 0.4146537), wk = 0.0023585 k( 161) = ( 0.5808544 0.5000000 0.4191456), wk = 0.0023585 k( 162) = ( 0.5763625 0.5000000 0.4236375), wk = 0.0023585 k( 163) = ( 0.5718706 0.5000000 0.4281294), wk = 0.0023585 k( 164) = ( 0.5673787 0.5000000 0.4326213), wk = 0.0023585 k( 165) = ( 0.5628868 0.5000000 0.4371132), wk = 0.0023585 k( 166) = ( 0.5583948 0.5000000 0.4416052), wk = 0.0023585 k( 167) = ( 0.5539029 0.5000000 0.4460971), wk = 0.0023585 k( 168) = ( 0.5494110 0.5000000 0.4505890), wk = 0.0023585 k( 169) = ( 0.5449191 0.5000000 0.4550809), wk = 0.0023585 k( 170) = ( 0.5404272 0.5000000 0.4595728), wk = 0.0023585 k( 171) = ( 0.5359353 0.5000000 0.4640647), wk = 0.0023585 k( 172) = ( 0.5314434 0.5000000 0.4685566), wk = 0.0023585 k( 173) = ( 0.5269515 0.5000000 0.4730485), wk = 0.0023585 k( 174) = ( 0.5224596 0.5000000 0.4775404), wk = 0.0023585 k( 175) = ( 0.5179677 0.5000000 0.4820323), wk = 0.0023585 k( 176) = ( 0.5134757 0.5000000 0.4865243), wk = 0.0023585 k( 177) = ( 0.5089838 0.5000000 0.4910162), wk = 0.0023585 k( 178) = ( 0.5044919 0.5000000 0.4955081), wk = 0.0023585 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 181) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0023585 k( 182) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0023585 k( 183) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0023585 k( 184) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0023585 k( 185) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0023585 k( 186) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0023585 k( 187) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0023585 k( 188) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0023585 k( 189) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0023585 k( 190) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0023585 k( 191) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0023585 k( 192) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0023585 k( 193) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0023585 k( 194) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0023585 k( 195) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0023585 k( 196) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0023585 k( 197) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0023585 k( 198) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0023585 k( 199) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0023585 k( 200) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0023585 k( 201) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0023585 k( 202) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0023585 k( 203) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0023585 k( 204) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0023585 k( 205) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0023585 k( 206) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0023585 k( 207) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0023585 k( 208) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0023585 k( 209) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0023585 k( 210) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0023585 k( 211) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0023585 k( 212) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0023585 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 215) = ( 0.0045103 0.0000000 -0.0045103), wk = 0.0023585 k( 216) = ( 0.0090206 0.0000000 -0.0090206), wk = 0.0023585 k( 217) = ( 0.0135309 0.0000000 -0.0135309), wk = 0.0023585 k( 218) = ( 0.0180412 0.0000000 -0.0180412), wk = 0.0023585 k( 219) = ( 0.0225515 0.0000000 -0.0225515), wk = 0.0023585 k( 220) = ( 0.0270618 0.0000000 -0.0270618), wk = 0.0023585 k( 221) = ( 0.0315721 0.0000000 -0.0315721), wk = 0.0023585 k( 222) = ( 0.0360824 0.0000000 -0.0360824), wk = 0.0023585 k( 223) = ( 0.0405927 0.0000000 -0.0405927), wk = 0.0023585 k( 224) = ( 0.0451030 0.0000000 -0.0451030), wk = 0.0023585 k( 225) = ( 0.0496133 0.0000000 -0.0496133), wk = 0.0023585 k( 226) = ( 0.0541237 0.0000000 -0.0541236), wk = 0.0023585 k( 227) = ( 0.0586339 0.0000000 -0.0586339), wk = 0.0023585 k( 228) = ( 0.0631443 0.0000000 -0.0631443), wk = 0.0023585 k( 229) = ( 0.0676546 0.0000000 -0.0676546), wk = 0.0023585 k( 230) = ( 0.0721649 0.0000000 -0.0721649), wk = 0.0023585 k( 231) = ( 0.0766752 0.0000000 -0.0766752), wk = 0.0023585 k( 232) = ( 0.0811855 0.0000000 -0.0811855), wk = 0.0023585 k( 233) = ( 0.0856958 0.0000000 -0.0856958), wk = 0.0023585 k( 234) = ( 0.0902061 0.0000000 -0.0902061), wk = 0.0023585 k( 235) = ( 0.0947164 0.0000000 -0.0947164), wk = 0.0023585 k( 236) = ( 0.0992267 0.0000000 -0.0992267), wk = 0.0023585 k( 237) = ( 0.1037370 0.0000000 -0.1037370), wk = 0.0023585 k( 238) = ( 0.1082473 0.0000000 -0.1082473), wk = 0.0023585 k( 239) = ( 0.1127576 0.0000000 -0.1127576), wk = 0.0023585 k( 240) = ( 0.1172679 0.0000000 -0.1172679), wk = 0.0023585 k( 241) = ( 0.1217782 -0.0000000 -0.1217782), wk = 0.0023585 k( 242) = ( 0.1262885 0.0000000 -0.1262885), wk = 0.0023585 k( 243) = ( 0.1307988 0.0000000 -0.1307988), wk = 0.0023585 k( 244) = ( 0.1353091 0.0000000 -0.1353091), wk = 0.0023585 k( 245) = ( 0.1398194 0.0000000 -0.1398194), wk = 0.0023585 k( 246) = ( 0.1443297 0.0000000 -0.1443297), wk = 0.0023585 k( 247) = ( 0.1488400 0.0000000 -0.1488400), wk = 0.0023585 k( 248) = ( 0.1533503 0.0000000 -0.1533503), wk = 0.0023585 k( 249) = ( 0.1578606 0.0000000 -0.1578606), wk = 0.0023585 k( 250) = ( 0.1623709 0.0000000 -0.1623709), wk = 0.0023585 k( 251) = ( 0.1668813 0.0000000 -0.1668812), wk = 0.0023585 k( 252) = ( 0.1713916 0.0000000 -0.1713915), wk = 0.0023585 k( 253) = ( 0.1759018 0.0000000 -0.1759018), wk = 0.0023585 k( 254) = ( 0.1804122 0.0000000 -0.1804122), wk = 0.0023585 k( 255) = ( 0.1849225 0.0000000 -0.1849225), wk = 0.0023585 k( 256) = ( 0.1894328 0.0000000 -0.1894328), wk = 0.0023585 k( 257) = ( 0.1939431 0.0000000 -0.1939431), wk = 0.0023585 k( 258) = ( 0.1984534 0.0000000 -0.1984534), wk = 0.0023585 k( 259) = ( 0.2029637 0.0000000 -0.2029637), wk = 0.0023585 k( 260) = ( 0.2074740 0.0000000 -0.2074740), wk = 0.0023585 k( 261) = ( 0.2119843 0.0000000 -0.2119843), wk = 0.0023585 k( 262) = ( 0.2164946 0.0000000 -0.2164946), wk = 0.0023585 k( 263) = ( 0.2210049 0.0000000 -0.2210049), wk = 0.0023585 k( 264) = ( 0.2255152 0.0000000 -0.2255152), wk = 0.0023585 k( 265) = ( 0.2300255 0.0000000 -0.2300255), wk = 0.0023585 k( 266) = ( 0.2345358 0.0000000 -0.2345358), wk = 0.0023585 k( 267) = ( 0.2390461 0.0000000 -0.2390461), wk = 0.0023585 k( 268) = ( 0.2435564 0.0000000 -0.2435564), wk = 0.0023585 k( 269) = ( 0.2480667 0.0000000 -0.2480667), wk = 0.0023585 k( 270) = ( 0.2525770 0.0000000 -0.2525770), wk = 0.0023585 k( 271) = ( 0.2570873 0.0000000 -0.2570873), wk = 0.0023585 k( 272) = ( 0.2615976 0.0000000 -0.2615976), wk = 0.0023585 k( 273) = ( 0.2661079 0.0000000 -0.2661079), wk = 0.0023585 k( 274) = ( 0.2706182 0.0000000 -0.2706182), wk = 0.0023585 k( 275) = ( 0.2751285 -0.0000000 -0.2751285), wk = 0.0023585 k( 276) = ( 0.2796388 0.0000000 -0.2796388), wk = 0.0023585 k( 277) = ( 0.2841492 0.0000000 -0.2841492), wk = 0.0023585 k( 278) = ( 0.2886594 0.0000000 -0.2886595), wk = 0.0023585 k( 279) = ( 0.2931698 0.0000000 -0.2931698), wk = 0.0023585 k( 280) = ( 0.2976801 0.0000000 -0.2976801), wk = 0.0023585 k( 281) = ( 0.3021904 0.0000000 -0.3021904), wk = 0.0023585 k( 282) = ( 0.3067007 0.0000000 -0.3067007), wk = 0.0023585 k( 283) = ( 0.3112110 0.0000000 -0.3112110), wk = 0.0023585 k( 284) = ( 0.3157213 0.0000000 -0.3157213), wk = 0.0023585 k( 285) = ( 0.3202316 0.0000000 -0.3202316), wk = 0.0023585 k( 286) = ( 0.3247419 0.0000000 -0.3247419), wk = 0.0023585 k( 287) = ( 0.3292522 0.0000000 -0.3292522), wk = 0.0023585 k( 288) = ( 0.3337625 0.0000000 -0.3337625), wk = 0.0023585 k( 289) = ( 0.3382728 0.0000000 -0.3382728), wk = 0.0023585 k( 290) = ( 0.3427831 0.0000000 -0.3427831), wk = 0.0023585 k( 291) = ( 0.6572169 0.3427831 0.0000000), wk = 0.0023585 k( 292) = ( 0.6527250 0.3472750 0.0000000), wk = 0.0023585 k( 293) = ( 0.6482331 0.3517669 0.0000000), wk = 0.0023585 k( 294) = ( 0.6437412 0.3562588 0.0000000), wk = 0.0023585 k( 295) = ( 0.6392493 0.3607507 0.0000000), wk = 0.0023585 k( 296) = ( 0.6347573 0.3652427 0.0000000), wk = 0.0023585 k( 297) = ( 0.6302654 0.3697346 0.0000000), wk = 0.0023585 k( 298) = ( 0.6257735 0.3742265 0.0000000), wk = 0.0023585 k( 299) = ( 0.6212816 0.3787184 0.0000000), wk = 0.0023585 k( 300) = ( 0.6167897 0.3832103 0.0000000), wk = 0.0023585 k( 301) = ( 0.6122978 0.3877022 0.0000000), wk = 0.0023585 k( 302) = ( 0.6078059 0.3921941 0.0000000), wk = 0.0023585 k( 303) = ( 0.6033140 0.3966860 0.0000000), wk = 0.0023585 k( 304) = ( 0.5988220 0.4011780 0.0000000), wk = 0.0023585 k( 305) = ( 0.5943301 0.4056699 0.0000000), wk = 0.0023585 k( 306) = ( 0.5898382 0.4101618 0.0000000), wk = 0.0023585 k( 307) = ( 0.5853463 0.4146537 0.0000000), wk = 0.0023585 k( 308) = ( 0.5808544 0.4191456 0.0000000), wk = 0.0023585 k( 309) = ( 0.5763625 0.4236375 0.0000000), wk = 0.0023585 k( 310) = ( 0.5718706 0.4281294 0.0000000), wk = 0.0023585 k( 311) = ( 0.5673787 0.4326213 0.0000000), wk = 0.0023585 k( 312) = ( 0.5628868 0.4371132 0.0000000), wk = 0.0023585 k( 313) = ( 0.5583948 0.4416051 0.0000000), wk = 0.0023585 k( 314) = ( 0.5539029 0.4460971 0.0000000), wk = 0.0023585 k( 315) = ( 0.5494110 0.4505890 -0.0000000), wk = 0.0023585 k( 316) = ( 0.5449191 0.4550809 0.0000000), wk = 0.0023585 k( 317) = ( 0.5404272 0.4595728 0.0000000), wk = 0.0023585 k( 318) = ( 0.5359353 0.4640647 0.0000000), wk = 0.0023585 k( 319) = ( 0.5314434 0.4685566 0.0000000), wk = 0.0023585 k( 320) = ( 0.5269515 0.4730485 0.0000000), wk = 0.0023585 k( 321) = ( 0.5224596 0.4775404 0.0000000), wk = 0.0023585 k( 322) = ( 0.5179677 0.4820323 0.0000000), wk = 0.0023585 k( 323) = ( 0.5134757 0.4865243 0.0000000), wk = 0.0023585 k( 324) = ( 0.5089838 0.4910162 0.0000000), wk = 0.0023585 k( 325) = ( 0.5044919 0.4955081 0.0000000), wk = 0.0023585 k( 326) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023585 k( 328) = ( 0.5131014 0.5131014 0.0154639), wk = 0.0023585 k( 329) = ( 0.5262028 0.5262028 0.0309277), wk = 0.0023585 k( 330) = ( 0.5393042 0.5393042 0.0463916), wk = 0.0023585 k( 331) = ( 0.5524056 0.5524056 0.0618554), wk = 0.0023585 k( 332) = ( 0.5655070 0.5655070 0.0773193), wk = 0.0023585 k( 333) = ( 0.5786085 0.5786085 0.0927831), wk = 0.0023585 k( 334) = ( 0.5917099 0.5917099 0.1082469), wk = 0.0023585 k( 335) = ( 0.6048113 0.6048113 0.1237108), wk = 0.0023585 k( 336) = ( 0.6179127 0.6179127 0.1391746), wk = 0.0023585 k( 337) = ( 0.6310141 0.6310141 0.1546385), wk = 0.0023585 k( 338) = ( 0.6441155 0.6441155 0.1701024), wk = 0.0023585 k( 339) = ( 0.6572169 0.6572169 0.1855662), wk = 0.0023585 k( 340) = ( 0.6572169 0.6572169 0.1855662), wk = 0.0023585 k( 341) = ( 0.6546396 0.6546396 0.1907208), wk = 0.0023585 k( 342) = ( 0.6520622 0.6520622 0.1958755), wk = 0.0023585 k( 343) = ( 0.6494849 0.6494849 0.2010302), wk = 0.0023585 k( 344) = ( 0.6469076 0.6469076 0.2061848), wk = 0.0023585 k( 345) = ( 0.6443303 0.6443303 0.2113395), wk = 0.0023585 k( 346) = ( 0.6417529 0.6417529 0.2164941), wk = 0.0023585 k( 347) = ( 0.6391756 0.6391756 0.2216488), wk = 0.0023585 k( 348) = ( 0.6365983 0.6365983 0.2268034), wk = 0.0023585 k( 349) = ( 0.6340210 0.6340210 0.2319581), wk = 0.0023585 k( 350) = ( 0.6314436 0.6314436 0.2371127), wk = 0.0023585 k( 351) = ( 0.6288663 0.6288663 0.2422674), wk = 0.0023585 k( 352) = ( 0.6262890 0.6262890 0.2474220), wk = 0.0023585 k( 353) = ( 0.6237117 0.6237117 0.2525767), wk = 0.0023585 k( 354) = ( 0.6211343 0.6211343 0.2577313), wk = 0.0023585 k( 355) = ( 0.6185570 0.6185570 0.2628860), wk = 0.0023585 k( 356) = ( 0.6159797 0.6159797 0.2680406), wk = 0.0023585 k( 357) = ( 0.6134023 0.6134023 0.2731953), wk = 0.0023585 k( 358) = ( 0.6108250 0.6108250 0.2783499), wk = 0.0023585 k( 359) = ( 0.6082477 0.6082477 0.2835046), wk = 0.0023585 k( 360) = ( 0.6056704 0.6056704 0.2886593), wk = 0.0023585 k( 361) = ( 0.6030931 0.6030931 0.2938139), wk = 0.0023585 k( 362) = ( 0.6005157 0.6005157 0.2989686), wk = 0.0023585 k( 363) = ( 0.5979384 0.5979384 0.3041232), wk = 0.0023585 k( 364) = ( 0.5953611 0.5953611 0.3092779), wk = 0.0023585 k( 365) = ( 0.5927837 0.5927837 0.3144325), wk = 0.0023585 k( 366) = ( 0.5902064 0.5902064 0.3195872), wk = 0.0023585 k( 367) = ( 0.5876291 0.5876291 0.3247418), wk = 0.0023585 k( 368) = ( 0.5850518 0.5850518 0.3298965), wk = 0.0023585 k( 369) = ( 0.5824744 0.5824744 0.3350511), wk = 0.0023585 k( 370) = ( 0.5798971 0.5798971 0.3402058), wk = 0.0023585 k( 371) = ( 0.5773198 0.5773198 0.3453604), wk = 0.0023585 k( 372) = ( 0.5747425 0.5747425 0.3505151), wk = 0.0023585 k( 373) = ( 0.5721651 0.5721651 0.3556697), wk = 0.0023585 k( 374) = ( 0.5695878 0.5695878 0.3608244), wk = 0.0023585 k( 375) = ( 0.5670105 0.5670105 0.3659790), wk = 0.0023585 k( 376) = ( 0.5644332 0.5644332 0.3711337), wk = 0.0023585 k( 377) = ( 0.5618558 0.5618558 0.3762883), wk = 0.0023585 k( 378) = ( 0.5592785 0.5592785 0.3814430), wk = 0.0023585 k( 379) = ( 0.5567012 0.5567012 0.3865977), wk = 0.0023585 k( 380) = ( 0.5541238 0.5541238 0.3917523), wk = 0.0023585 k( 381) = ( 0.5515465 0.5515465 0.3969069), wk = 0.0023585 k( 382) = ( 0.5489692 0.5489692 0.4020616), wk = 0.0023585 k( 383) = ( 0.5463919 0.5463919 0.4072163), wk = 0.0023585 k( 384) = ( 0.5438146 0.5438146 0.4123709), wk = 0.0023585 k( 385) = ( 0.5412372 0.5412372 0.4175256), wk = 0.0023585 k( 386) = ( 0.5386599 0.5386599 0.4226802), wk = 0.0023585 k( 387) = ( 0.5360826 0.5360826 0.4278349), wk = 0.0023585 k( 388) = ( 0.5335052 0.5335052 0.4329895), wk = 0.0023585 k( 389) = ( 0.5309279 0.5309279 0.4381442), wk = 0.0023585 k( 390) = ( 0.5283506 0.5283506 0.4432988), wk = 0.0023585 k( 391) = ( 0.5257733 0.5257733 0.4484535), wk = 0.0023585 k( 392) = ( 0.5231959 0.5231959 0.4536081), wk = 0.0023585 k( 393) = ( 0.5206186 0.5206186 0.4587628), wk = 0.0023585 k( 394) = ( 0.5180413 0.5180413 0.4639174), wk = 0.0023585 k( 395) = ( 0.5154640 0.5154640 0.4690721), wk = 0.0023585 k( 396) = ( 0.5128866 0.5128866 0.4742267), wk = 0.0023585 k( 397) = ( 0.5103093 0.5103093 0.4793814), wk = 0.0023585 k( 398) = ( 0.5077320 0.5077320 0.4845360), wk = 0.0023585 k( 399) = ( 0.5051547 0.5051547 0.4896907), wk = 0.0023585 k( 400) = ( 0.5025773 0.5025773 0.4948453), wk = 0.0023585 k( 401) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 402) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 403) = ( 0.5142925 0.0155811 0.0155811), wk = 0.0023585 k( 404) = ( 0.5285849 0.0311621 0.0311621), wk = 0.0023585 k( 405) = ( 0.5428773 0.0467432 0.0467432), wk = 0.0023585 k( 406) = ( 0.5571698 0.0623242 0.0623242), wk = 0.0023585 k( 407) = ( 0.5714622 0.0779053 0.0779052), wk = 0.0023585 k( 408) = ( 0.5857547 0.0934863 0.0934863), wk = 0.0023585 k( 409) = ( 0.6000471 0.1090674 0.1090673), wk = 0.0023585 k( 410) = ( 0.6143396 0.1246484 0.1246484), wk = 0.0023585 k( 411) = ( 0.6286320 0.1402295 0.1402295), wk = 0.0023585 k( 412) = ( 0.6429245 0.1558105 0.1558105), wk = 0.0023585 k( 413) = ( 0.6572169 0.1713916 0.1713915), wk = 0.0023585 k( 414) = ( 0.6715094 0.1869726 0.1869726), wk = 0.0023585 k( 415) = ( 0.6858018 0.2025537 0.2025537), wk = 0.0023585 k( 416) = ( 0.7000942 0.2181347 0.2181347), wk = 0.0023585 k( 417) = ( 0.7143867 0.2337157 0.2337157), wk = 0.0023585 k( 418) = ( 0.7286791 0.2492968 0.2492968), wk = 0.0023585 k( 419) = ( 0.7429716 0.2648779 0.2648779), wk = 0.0023585 k( 420) = ( 0.7572640 0.2804589 0.2804589), wk = 0.0023585 k( 421) = ( 0.7715565 0.2960399 0.2960399), wk = 0.0023585 k( 422) = ( 0.7858489 0.3116210 0.3116210), wk = 0.0023585 k( 423) = ( 0.8001414 0.3272021 0.3272021), wk = 0.0023585 k( 424) = ( 0.8144338 0.3427831 0.3427831), wk = 0.0023585 Dense grid: 74329 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 18745 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 150, 30) NL pseudopotentials 0.08 Mb ( 75, 70) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2323) G-vector shells 0.01 Mb ( 1911) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 150, 120) Each subspace H/S matrix 0.22 Mb ( 120, 120) Each matrix 0.06 Mb ( 70, 2, 30) The potential is recalculated from file : ./Be3N2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.2 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.4 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.8 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.2 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.6 secs Computing kpt #: 18 total cpu time spent up to now is 15.4 secs Computing kpt #: 19 total cpu time spent up to now is 16.1 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.5 secs Computing kpt #: 22 total cpu time spent up to now is 18.3 secs Computing kpt #: 23 total cpu time spent up to now is 19.0 secs Computing kpt #: 24 total cpu time spent up to now is 19.7 secs Computing kpt #: 25 total cpu time spent up to now is 20.5 secs Computing kpt #: 26 total cpu time spent up to now is 21.2 secs Computing kpt #: 27 total cpu time spent up to now is 21.9 secs Computing kpt #: 28 total cpu time spent up to now is 22.7 secs Computing kpt #: 29 total cpu time spent up to now is 23.4 secs Computing kpt #: 30 total cpu time spent up to now is 24.1 secs Computing kpt #: 31 total cpu time spent up to now is 24.9 secs Computing kpt #: 32 total cpu time spent up to now is 25.7 secs Computing kpt #: 33 total cpu time spent up to now is 26.7 secs Computing kpt #: 34 total cpu time spent up to now is 27.8 secs Computing kpt #: 35 total cpu time spent up to now is 28.7 secs Computing kpt #: 36 total cpu time spent up to now is 29.7 secs Computing kpt #: 37 total cpu time spent up to now is 30.6 secs Computing kpt #: 38 total cpu time spent up to now is 31.5 secs Computing kpt #: 39 total cpu time spent up to now is 32.4 secs Computing kpt #: 40 total cpu time spent up to now is 33.3 secs Computing kpt #: 41 total cpu time spent up to now is 34.1 secs Computing kpt #: 42 total cpu time spent up to now is 35.0 secs Computing kpt #: 43 total cpu time spent up to now is 35.8 secs Computing kpt #: 44 total cpu time spent up to now is 36.7 secs Computing kpt #: 45 total cpu time spent up to now is 37.5 secs Computing kpt #: 46 total cpu time spent up to now is 38.2 secs Computing kpt #: 47 total cpu time spent up to now is 39.1 secs Computing kpt #: 48 total cpu time spent up to now is 39.8 secs Computing kpt #: 49 total cpu time spent up to now is 40.6 secs Computing kpt #: 50 total cpu time spent up to now is 41.3 secs Computing kpt #: 51 total cpu time spent up to now is 42.1 secs Computing kpt #: 52 total cpu time spent up to now is 42.8 secs Computing kpt #: 53 total cpu time spent up to now is 43.6 secs Computing kpt #: 54 total cpu time spent up to now is 44.3 secs Computing kpt #: 55 total cpu time spent up to now is 45.1 secs Computing kpt #: 56 total cpu time spent up to now is 45.8 secs Computing kpt #: 57 total cpu time spent up to now is 46.6 secs Computing kpt #: 58 total cpu time spent up to now is 47.3 secs Computing kpt #: 59 total cpu time spent up to now is 48.1 secs Computing kpt #: 60 total cpu time spent up to now is 48.8 secs Computing kpt #: 61 total cpu time spent up to now is 49.6 secs Computing kpt #: 62 total cpu time spent up to now is 50.3 secs Computing kpt #: 63 total cpu time spent up to now is 51.0 secs Computing kpt #: 64 total cpu time spent up to now is 51.8 secs Computing kpt #: 65 total cpu time spent up to now is 52.5 secs Computing kpt #: 66 total cpu time spent up to now is 53.3 secs Computing kpt #: 67 total cpu time spent up to now is 54.0 secs Computing kpt #: 68 total cpu time spent up to now is 54.7 secs Computing kpt #: 69 total cpu time spent up to now is 55.5 secs Computing kpt #: 70 total cpu time spent up to now is 56.2 secs Computing kpt #: 71 total cpu time spent up to now is 57.0 secs Computing kpt #: 72 total cpu time spent up to now is 57.8 secs Computing kpt #: 73 total cpu time spent up to now is 58.7 secs Computing kpt #: 74 total cpu time spent up to now is 59.4 secs Computing kpt #: 75 total cpu time spent up to now is 60.2 secs Computing kpt #: 76 total cpu time spent up to now is 60.9 secs Computing kpt #: 77 total cpu time spent up to now is 61.7 secs Computing kpt #: 78 total cpu time spent up to now is 62.5 secs Computing kpt #: 79 total cpu time spent up to now is 63.4 secs Computing kpt #: 80 total cpu time spent up to now is 64.4 secs Computing kpt #: 81 total cpu time spent up to now is 65.3 secs Computing kpt #: 82 total cpu time spent up to now is 66.2 secs Computing kpt #: 83 total cpu time spent up to now is 67.2 secs Computing kpt #: 84 total cpu time spent up to now is 68.0 secs Computing kpt #: 85 total cpu time spent up to now is 68.9 secs Computing kpt #: 86 total cpu time spent up to now is 69.9 secs Computing kpt #: 87 total cpu time spent up to now is 70.9 secs Computing kpt #: 88 total cpu time spent up to now is 71.7 secs Computing kpt #: 89 total cpu time spent up to now is 73.0 secs Computing kpt #: 90 total cpu time spent up to now is 74.3 secs Computing kpt #: 91 total cpu time spent up to now is 75.0 secs Computing kpt #: 92 total cpu time spent up to now is 76.2 secs Computing kpt #: 93 total cpu time spent up to now is 77.0 secs Computing kpt #: 94 total cpu time spent up to now is 77.8 secs Computing kpt #: 95 total cpu time spent up to now is 78.5 secs Computing kpt #: 96 total cpu time spent up to now is 79.3 secs Computing kpt #: 97 total cpu time spent up to now is 80.1 secs Computing kpt #: 98 total cpu time spent up to now is 80.8 secs Computing kpt #: 99 total cpu time spent up to now is 81.6 secs Computing kpt #: 100 total cpu time spent up to now is 82.4 secs Computing kpt #: 101 total cpu time spent up to now is 83.1 secs Computing kpt #: 102 total cpu time spent up to now is 84.0 secs Computing kpt #: 103 total cpu time spent up to now is 84.8 secs Computing kpt #: 104 total cpu time spent up to now is 85.5 secs Computing kpt #: 105 total cpu time spent up to now is 86.3 secs Computing kpt #: 106 total cpu time spent up to now is 87.1 secs Computing kpt #: 107 total cpu time spent up to now is 87.8 secs Computing kpt #: 108 total cpu time spent up to now is 88.6 secs Computing kpt #: 109 total cpu time spent up to now is 89.4 secs Computing kpt #: 110 total cpu time spent up to now is 90.1 secs Computing kpt #: 111 total cpu time spent up to now is 90.9 secs Computing kpt #: 112 total cpu time spent up to now is 91.7 secs Computing kpt #: 113 total cpu time spent up to now is 92.5 secs Computing kpt #: 114 total cpu time spent up to now is 93.3 secs Computing kpt #: 115 total cpu time spent up to now is 94.2 secs Computing kpt #: 116 total cpu time spent up to now is 95.1 secs Computing kpt #: 117 total cpu time spent up to now is 96.2 secs Computing kpt #: 118 total cpu time spent up to now is 97.1 secs Computing kpt #: 119 total cpu time spent up to now is 98.1 secs Computing kpt #: 120 total cpu time spent up to now is 99.1 secs Computing kpt #: 121 total cpu time spent up to now is 99.9 secs Computing kpt #: 122 total cpu time spent up to now is 100.7 secs Computing kpt #: 123 total cpu time spent up to now is 101.7 secs Computing kpt #: 124 total cpu time spent up to now is 102.6 secs Computing kpt #: 125 total cpu time spent up to now is 103.4 secs Computing kpt #: 126 total cpu time spent up to now is 104.2 secs Computing kpt #: 127 total cpu time spent up to now is 105.1 secs Computing kpt #: 128 total cpu time spent up to now is 105.9 secs Computing kpt #: 129 total cpu time spent up to now is 106.7 secs Computing kpt #: 130 total cpu time spent up to now is 107.5 secs Computing kpt #: 131 total cpu time spent up to now is 108.3 secs Computing kpt #: 132 total cpu time spent up to now is 109.1 secs Computing kpt #: 133 total cpu time spent up to now is 109.8 secs Computing kpt #: 134 total cpu time spent up to now is 110.6 secs Computing kpt #: 135 total cpu time spent up to now is 111.3 secs Computing kpt #: 136 total cpu time spent up to now is 112.1 secs Computing kpt #: 137 total cpu time spent up to now is 112.8 secs Computing kpt #: 138 total cpu time spent up to now is 113.6 secs Computing kpt #: 139 total cpu time spent up to now is 114.3 secs Computing kpt #: 140 total cpu time spent up to now is 115.0 secs Computing kpt #: 141 total cpu time spent up to now is 115.8 secs Computing kpt #: 142 total cpu time spent up to now is 116.6 secs Computing kpt #: 143 total cpu time spent up to now is 117.3 secs Computing kpt #: 144 total cpu time spent up to now is 118.0 secs Computing kpt #: 145 total cpu time spent up to now is 118.8 secs Computing kpt #: 146 total cpu time spent up to now is 119.5 secs Computing kpt #: 147 total cpu time spent up to now is 120.3 secs Computing kpt #: 148 total cpu time spent up to now is 121.0 secs Computing kpt #: 149 total cpu time spent up to now is 121.7 secs Computing kpt #: 150 total cpu time spent up to now is 122.4 secs Computing kpt #: 151 total cpu time spent up to now is 123.2 secs Computing kpt #: 152 total cpu time spent up to now is 123.9 secs Computing kpt #: 153 total cpu time spent up to now is 124.6 secs Computing kpt #: 154 total cpu time spent up to now is 125.3 secs Computing kpt #: 155 total cpu time spent up to now is 126.1 secs Computing kpt #: 156 total cpu time spent up to now is 126.8 secs Computing kpt #: 157 total cpu time spent up to now is 127.5 secs Computing kpt #: 158 total cpu time spent up to now is 128.3 secs Computing kpt #: 159 total cpu time spent up to now is 129.0 secs Computing kpt #: 160 total cpu time spent up to now is 129.7 secs Computing kpt #: 161 total cpu time spent up to now is 130.5 secs Computing kpt #: 162 total cpu time spent up to now is 131.2 secs Computing kpt #: 163 total cpu time spent up to now is 132.0 secs Computing kpt #: 164 total cpu time spent up to now is 132.7 secs Computing kpt #: 165 total cpu time spent up to now is 133.6 secs Computing kpt #: 166 total cpu time spent up to now is 134.4 secs Computing kpt #: 167 total cpu time spent up to now is 135.3 secs Computing kpt #: 168 total cpu time spent up to now is 136.2 secs Computing kpt #: 169 total cpu time spent up to now is 137.0 secs Computing kpt #: 170 total cpu time spent up to now is 137.8 secs Computing kpt #: 171 total cpu time spent up to now is 138.5 secs Computing kpt #: 172 total cpu time spent up to now is 139.3 secs Computing kpt #: 173 total cpu time spent up to now is 140.1 secs Computing kpt #: 174 total cpu time spent up to now is 140.8 secs Computing kpt #: 175 total cpu time spent up to now is 141.6 secs Computing kpt #: 176 total cpu time spent up to now is 142.3 secs Computing kpt #: 177 total cpu time spent up to now is 143.0 secs Computing kpt #: 178 total cpu time spent up to now is 143.7 secs Computing kpt #: 179 total cpu time spent up to now is 144.4 secs Computing kpt #: 180 total cpu time spent up to now is 145.2 secs Computing kpt #: 181 total cpu time spent up to now is 145.9 secs Computing kpt #: 182 total cpu time spent up to now is 146.6 secs Computing kpt #: 183 total cpu time spent up to now is 147.3 secs Computing kpt #: 184 total cpu time spent up to now is 148.0 secs Computing kpt #: 185 total cpu time spent up to now is 148.7 secs Computing kpt #: 186 total cpu time spent up to now is 149.3 secs Computing kpt #: 187 total cpu time spent up to now is 150.0 secs Computing kpt #: 188 total cpu time spent up to now is 150.7 secs Computing kpt #: 189 total cpu time spent up to now is 151.4 secs Computing kpt #: 190 total cpu time spent up to now is 152.1 secs Computing kpt #: 191 total cpu time spent up to now is 152.8 secs Computing kpt #: 192 total cpu time spent up to now is 153.5 secs Computing kpt #: 193 total cpu time spent up to now is 154.1 secs Computing kpt #: 194 total cpu time spent up to now is 154.8 secs Computing kpt #: 195 total cpu time spent up to now is 155.5 secs Computing kpt #: 196 total cpu time spent up to now is 156.1 secs Computing kpt #: 197 total cpu time spent up to now is 156.8 secs Computing kpt #: 198 total cpu time spent up to now is 157.4 secs Computing kpt #: 199 total cpu time spent up to now is 158.0 secs Computing kpt #: 200 total cpu time spent up to now is 158.7 secs Computing kpt #: 201 total cpu time spent up to now is 159.4 secs Computing kpt #: 202 total cpu time spent up to now is 160.0 secs Computing kpt #: 203 total cpu time spent up to now is 160.6 secs Computing kpt #: 204 total cpu time spent up to now is 161.3 secs Computing kpt #: 205 total cpu time spent up to now is 161.9 secs Computing kpt #: 206 total cpu time spent up to now is 162.6 secs Computing kpt #: 207 total cpu time spent up to now is 163.2 secs Computing kpt #: 208 total cpu time spent up to now is 163.9 secs Computing kpt #: 209 total cpu time spent up to now is 164.6 secs Computing kpt #: 210 total cpu time spent up to now is 165.2 secs Computing kpt #: 211 total cpu time spent up to now is 165.9 secs Computing kpt #: 212 total cpu time spent up to now is 166.5 secs Computing kpt #: 213 total cpu time spent up to now is 167.2 secs Computing kpt #: 214 total cpu time spent up to now is 167.8 secs Computing kpt #: 215 total cpu time spent up to now is 168.5 secs Computing kpt #: 216 total cpu time spent up to now is 169.2 secs Computing kpt #: 217 total cpu time spent up to now is 169.8 secs Computing kpt #: 218 total cpu time spent up to now is 170.5 secs Computing kpt #: 219 total cpu time spent up to now is 171.2 secs Computing kpt #: 220 total cpu time spent up to now is 171.9 secs Computing kpt #: 221 total cpu time spent up to now is 172.6 secs Computing kpt #: 222 total cpu time spent up to now is 173.3 secs Computing kpt #: 223 total cpu time spent up to now is 174.0 secs Computing kpt #: 224 total cpu time spent up to now is 174.7 secs Computing kpt #: 225 total cpu time spent up to now is 175.4 secs Computing kpt #: 226 total cpu time spent up to now is 176.2 secs Computing kpt #: 227 total cpu time spent up to now is 176.9 secs Computing kpt #: 228 total cpu time spent up to now is 177.6 secs Computing kpt #: 229 total cpu time spent up to now is 178.3 secs Computing kpt #: 230 total cpu time spent up to now is 179.1 secs Computing kpt #: 231 total cpu time spent up to now is 179.8 secs Computing kpt #: 232 total cpu time spent up to now is 180.5 secs Computing kpt #: 233 total cpu time spent up to now is 181.3 secs Computing kpt #: 234 total cpu time spent up to now is 182.0 secs Computing kpt #: 235 total cpu time spent up to now is 182.8 secs Computing kpt #: 236 total cpu time spent up to now is 183.5 secs Computing kpt #: 237 total cpu time spent up to now is 184.3 secs Computing kpt #: 238 total cpu time spent up to now is 185.0 secs Computing kpt #: 239 total cpu time spent up to now is 185.8 secs Computing kpt #: 240 total cpu time spent up to now is 186.6 secs Computing kpt #: 241 total cpu time spent up to now is 187.3 secs Computing kpt #: 242 total cpu time spent up to now is 188.1 secs Computing kpt #: 243 total cpu time spent up to now is 188.8 secs Computing kpt #: 244 total cpu time spent up to now is 189.6 secs Computing kpt #: 245 total cpu time spent up to now is 190.3 secs Computing kpt #: 246 total cpu time spent up to now is 191.1 secs Computing kpt #: 247 total cpu time spent up to now is 191.8 secs Computing kpt #: 248 total cpu time spent up to now is 192.6 secs Computing kpt #: 249 total cpu time spent up to now is 193.4 secs Computing kpt #: 250 total cpu time spent up to now is 194.2 secs Computing kpt #: 251 total cpu time spent up to now is 195.1 secs Computing kpt #: 252 total cpu time spent up to now is 195.8 secs Computing kpt #: 253 total cpu time spent up to now is 196.6 secs Computing kpt #: 254 total cpu time spent up to now is 197.5 secs Computing kpt #: 255 total cpu time spent up to now is 198.3 secs Computing kpt #: 256 total cpu time spent up to now is 199.1 secs Computing kpt #: 257 total cpu time spent up to now is 199.9 secs Computing kpt #: 258 total cpu time spent up to now is 200.6 secs Computing kpt #: 259 total cpu time spent up to now is 201.6 secs Computing kpt #: 260 total cpu time spent up to now is 202.4 secs Computing kpt #: 261 total cpu time spent up to now is 203.5 secs Computing kpt #: 262 total cpu time spent up to now is 204.4 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.8 secs Computing kpt #: 264 total cpu time spent up to now is 206.7 secs Computing kpt #: 265 total cpu time spent up to now is 207.6 secs Computing kpt #: 266 total cpu time spent up to now is 208.6 secs Computing kpt #: 267 total cpu time spent up to now is 209.3 secs Computing kpt #: 268 total cpu time spent up to now is 210.1 secs Computing kpt #: 269 total cpu time spent up to now is 210.8 secs Computing kpt #: 270 total cpu time spent up to now is 211.6 secs Computing kpt #: 271 total cpu time spent up to now is 212.3 secs Computing kpt #: 272 total cpu time spent up to now is 213.1 secs Computing kpt #: 273 total cpu time spent up to now is 213.8 secs Computing kpt #: 274 total cpu time spent up to now is 214.6 secs Computing kpt #: 275 total cpu time spent up to now is 215.3 secs Computing kpt #: 276 total cpu time spent up to now is 216.1 secs Computing kpt #: 277 total cpu time spent up to now is 216.8 secs Computing kpt #: 278 total cpu time spent up to now is 217.6 secs Computing kpt #: 279 total cpu time spent up to now is 218.3 secs Computing kpt #: 280 total cpu time spent up to now is 219.1 secs Computing kpt #: 281 total cpu time spent up to now is 219.9 secs Computing kpt #: 282 total cpu time spent up to now is 220.6 secs Computing kpt #: 283 total cpu time spent up to now is 221.4 secs Computing kpt #: 284 total cpu time spent up to now is 222.2 secs Computing kpt #: 285 total cpu time spent up to now is 222.9 secs Computing kpt #: 286 total cpu time spent up to now is 223.7 secs Computing kpt #: 287 total cpu time spent up to now is 224.5 secs Computing kpt #: 288 total cpu time spent up to now is 225.2 secs Computing kpt #: 289 total cpu time spent up to now is 226.0 secs Computing kpt #: 290 total cpu time spent up to now is 227.0 secs Computing kpt #: 291 total cpu time spent up to now is 227.9 secs Computing kpt #: 292 total cpu time spent up to now is 228.7 secs Computing kpt #: 293 total cpu time spent up to now is 229.7 secs Computing kpt #: 294 total cpu time spent up to now is 230.5 secs Computing kpt #: 295 total cpu time spent up to now is 231.3 secs Computing kpt #: 296 total cpu time spent up to now is 232.1 secs Computing kpt #: 297 total cpu time spent up to now is 232.9 secs Computing kpt #: 298 total cpu time spent up to now is 233.6 secs Computing kpt #: 299 total cpu time spent up to now is 234.4 secs Computing kpt #: 300 total cpu time spent up to now is 235.1 secs Computing kpt #: 301 total cpu time spent up to now is 235.8 secs Computing kpt #: 302 total cpu time spent up to now is 236.6 secs Computing kpt #: 303 total cpu time spent up to now is 237.3 secs Computing kpt #: 304 total cpu time spent up to now is 238.1 secs Computing kpt #: 305 total cpu time spent up to now is 238.8 secs Computing kpt #: 306 total cpu time spent up to now is 239.5 secs Computing kpt #: 307 total cpu time spent up to now is 240.2 secs Computing kpt #: 308 total cpu time spent up to now is 240.9 secs Computing kpt #: 309 total cpu time spent up to now is 241.6 secs Computing kpt #: 310 total cpu time spent up to now is 242.4 secs Computing kpt #: 311 total cpu time spent up to now is 243.1 secs Computing kpt #: 312 total cpu time spent up to now is 243.8 secs Computing kpt #: 313 total cpu time spent up to now is 244.5 secs Computing kpt #: 314 total cpu time spent up to now is 245.2 secs Computing kpt #: 315 total cpu time spent up to now is 245.9 secs Computing kpt #: 316 total cpu time spent up to now is 246.6 secs Computing kpt #: 317 total cpu time spent up to now is 247.3 secs Computing kpt #: 318 total cpu time spent up to now is 248.1 secs Computing kpt #: 319 total cpu time spent up to now is 248.8 secs Computing kpt #: 320 total cpu time spent up to now is 249.5 secs Computing kpt #: 321 total cpu time spent up to now is 250.2 secs Computing kpt #: 322 total cpu time spent up to now is 250.9 secs Computing kpt #: 323 total cpu time spent up to now is 251.6 secs Computing kpt #: 324 total cpu time spent up to now is 252.3 secs Computing kpt #: 325 total cpu time spent up to now is 253.0 secs Computing kpt #: 326 total cpu time spent up to now is 253.7 secs Computing kpt #: 327 total cpu time spent up to now is 254.4 secs Computing kpt #: 328 total cpu time spent up to now is 255.1 secs Computing kpt #: 329 total cpu time spent up to now is 255.8 secs Computing kpt #: 330 total cpu time spent up to now is 256.5 secs Computing kpt #: 331 total cpu time spent up to now is 257.2 secs Computing kpt #: 332 total cpu time spent up to now is 257.9 secs Computing kpt #: 333 total cpu time spent up to now is 258.6 secs Computing kpt #: 334 total cpu time spent up to now is 259.3 secs Computing kpt #: 335 total cpu time spent up to now is 260.1 secs Computing kpt #: 336 total cpu time spent up to now is 260.8 secs Computing kpt #: 337 total cpu time spent up to now is 261.5 secs Computing kpt #: 338 total cpu time spent up to now is 262.3 secs Computing kpt #: 339 total cpu time spent up to now is 263.0 secs Computing kpt #: 340 total cpu time spent up to now is 263.8 secs Computing kpt #: 341 total cpu time spent up to now is 264.5 secs Computing kpt #: 342 total cpu time spent up to now is 265.2 secs Computing kpt #: 343 total cpu time spent up to now is 266.0 secs Computing kpt #: 344 total cpu time spent up to now is 266.7 secs Computing kpt #: 345 total cpu time spent up to now is 267.5 secs Computing kpt #: 346 total cpu time spent up to now is 268.2 secs Computing kpt #: 347 total cpu time spent up to now is 269.0 secs Computing kpt #: 348 total cpu time spent up to now is 269.7 secs Computing kpt #: 349 total cpu time spent up to now is 270.5 secs Computing kpt #: 350 total cpu time spent up to now is 271.2 secs Computing kpt #: 351 total cpu time spent up to now is 271.9 secs Computing kpt #: 352 total cpu time spent up to now is 272.7 secs Computing kpt #: 353 total cpu time spent up to now is 273.5 secs Computing kpt #: 354 total cpu time spent up to now is 274.2 secs Computing kpt #: 355 total cpu time spent up to now is 275.0 secs Computing kpt #: 356 total cpu time spent up to now is 275.7 secs Computing kpt #: 357 total cpu time spent up to now is 276.5 secs Computing kpt #: 358 total cpu time spent up to now is 277.4 secs Computing kpt #: 359 total cpu time spent up to now is 278.3 secs Computing kpt #: 360 total cpu time spent up to now is 279.1 secs Computing kpt #: 361 total cpu time spent up to now is 280.0 secs Computing kpt #: 362 total cpu time spent up to now is 280.8 secs Computing kpt #: 363 total cpu time spent up to now is 281.6 secs Computing kpt #: 364 total cpu time spent up to now is 282.4 secs Computing kpt #: 365 total cpu time spent up to now is 283.2 secs Computing kpt #: 366 total cpu time spent up to now is 284.0 secs Computing kpt #: 367 total cpu time spent up to now is 284.8 secs Computing kpt #: 368 total cpu time spent up to now is 285.5 secs Computing kpt #: 369 total cpu time spent up to now is 286.3 secs Computing kpt #: 370 total cpu time spent up to now is 287.0 secs Computing kpt #: 371 total cpu time spent up to now is 287.9 secs Computing kpt #: 372 total cpu time spent up to now is 288.6 secs Computing kpt #: 373 total cpu time spent up to now is 289.6 secs Computing kpt #: 374 total cpu time spent up to now is 290.4 secs Computing kpt #: 375 total cpu time spent up to now is 291.3 secs Computing kpt #: 376 total cpu time spent up to now is 292.4 secs Computing kpt #: 377 total cpu time spent up to now is 293.5 secs Computing kpt #: 378 total cpu time spent up to now is 294.7 secs Computing kpt #: 379 total cpu time spent up to now is 295.8 secs Computing kpt #: 380 total cpu time spent up to now is 296.9 secs Computing kpt #: 381 total cpu time spent up to now is 297.9 secs Computing kpt #: 382 total cpu time spent up to now is 298.7 secs Computing kpt #: 383 total cpu time spent up to now is 299.5 secs Computing kpt #: 384 total cpu time spent up to now is 300.4 secs Computing kpt #: 385 total cpu time spent up to now is 301.3 secs Computing kpt #: 386 total cpu time spent up to now is 302.0 secs Computing kpt #: 387 total cpu time spent up to now is 302.8 secs Computing kpt #: 388 total cpu time spent up to now is 303.6 secs Computing kpt #: 389 total cpu time spent up to now is 304.5 secs Computing kpt #: 390 total cpu time spent up to now is 305.2 secs Computing kpt #: 391 total cpu time spent up to now is 306.1 secs Computing kpt #: 392 total cpu time spent up to now is 306.8 secs Computing kpt #: 393 total cpu time spent up to now is 307.6 secs Computing kpt #: 394 total cpu time spent up to now is 308.3 secs Computing kpt #: 395 total cpu time spent up to now is 309.1 secs Computing kpt #: 396 total cpu time spent up to now is 309.8 secs Computing kpt #: 397 total cpu time spent up to now is 310.5 secs Computing kpt #: 398 total cpu time spent up to now is 311.3 secs Computing kpt #: 399 total cpu time spent up to now is 312.0 secs Computing kpt #: 400 total cpu time spent up to now is 312.7 secs Computing kpt #: 401 total cpu time spent up to now is 313.4 secs Computing kpt #: 402 total cpu time spent up to now is 314.2 secs Computing kpt #: 403 total cpu time spent up to now is 314.9 secs Computing kpt #: 404 total cpu time spent up to now is 315.6 secs Computing kpt #: 405 total cpu time spent up to now is 316.4 secs Computing kpt #: 406 total cpu time spent up to now is 317.1 secs Computing kpt #: 407 total cpu time spent up to now is 317.8 secs Computing kpt #: 408 total cpu time spent up to now is 318.6 secs Computing kpt #: 409 total cpu time spent up to now is 319.3 secs Computing kpt #: 410 total cpu time spent up to now is 320.1 secs Computing kpt #: 411 total cpu time spent up to now is 320.8 secs Computing kpt #: 412 total cpu time spent up to now is 321.6 secs Computing kpt #: 413 total cpu time spent up to now is 322.3 secs Computing kpt #: 414 total cpu time spent up to now is 323.2 secs Computing kpt #: 415 total cpu time spent up to now is 324.0 secs Computing kpt #: 416 total cpu time spent up to now is 324.9 secs Computing kpt #: 417 total cpu time spent up to now is 325.8 secs Computing kpt #: 418 total cpu time spent up to now is 326.8 secs Computing kpt #: 419 total cpu time spent up to now is 327.7 secs Computing kpt #: 420 total cpu time spent up to now is 328.8 secs Computing kpt #: 421 total cpu time spent up to now is 329.5 secs Computing kpt #: 422 total cpu time spent up to now is 330.3 secs Computing kpt #: 423 total cpu time spent up to now is 331.0 secs Computing kpt #: 424 total cpu time spent up to now is 331.7 secs ethr = 4.55E-11, avg # of iterations = 38.8 total cpu time spent up to now is 331.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2323 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1572 -8.1572 -6.0211 -6.0211 0.6929 0.6929 7.0286 7.0286 7.0398 7.0398 7.7462 7.7462 8.1826 8.1826 8.1949 8.1949 14.1058 14.1058 15.9640 15.9640 16.5323 16.5323 16.5340 16.5340 k = 0.0077-0.0123-0.0075 ( 2325 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1563 -8.1563 -6.0206 -6.0206 0.6940 0.6940 7.0253 7.0254 7.0370 7.0371 7.7457 7.7461 8.1793 8.1795 8.1921 8.1921 14.1086 14.1087 15.9667 15.9669 16.5316 16.5316 16.5362 16.5362 k = 0.0154-0.0245-0.0149 ( 2333 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1538 -8.1538 -6.0191 -6.0191 0.6973 0.6973 7.0136 7.0139 7.0307 7.0307 7.7446 7.7454 8.1682 8.1688 8.1849 8.1850 14.1173 14.1173 15.9749 15.9751 16.5273 16.5273 16.5448 16.5448 k = 0.0231-0.0368-0.0224 ( 2335 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1495 -8.1495 -6.0166 -6.0166 0.7028 0.7028 6.9919 6.9923 7.0227 7.0228 7.7428 7.7439 8.1477 8.1485 8.1754 8.1756 14.1315 14.1316 15.9883 15.9886 16.5204 16.5204 16.5593 16.5593 k = 0.0308-0.0491-0.0299 ( 2331 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1436 -8.1436 -6.0131 -6.0131 0.7104 0.7104 6.9609 6.9614 7.0127 7.0127 7.7400 7.7417 8.1181 8.1192 8.1635 8.1636 14.1512 14.1513 16.0064 16.0069 16.5112 16.5113 16.5794 16.5794 k = 0.0385-0.0613-0.0374 ( 2335 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1359 -8.1359 -6.0087 -6.0087 0.7203 0.7203 6.9211 6.9218 7.0001 7.0002 7.7362 7.7383 8.0802 8.0817 8.1487 8.1488 14.1760 14.1761 16.0285 16.0291 16.5006 16.5006 16.6052 16.6052 k = 0.0462-0.0736-0.0448 ( 2334 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1266 -8.1266 -6.0032 -6.0032 0.7324 0.7324 6.8731 6.8739 6.9851 6.9852 7.7310 7.7337 8.0347 8.0367 8.1310 8.1311 14.2056 14.2056 16.0535 16.0541 16.4896 16.4896 16.6364 16.6364 k = 0.0538-0.0859-0.0523 ( 2338 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1155 -8.1155 -5.9968 -5.9968 0.7466 0.7466 6.8173 6.8181 6.9676 6.9676 7.7240 7.7275 7.9822 7.9850 8.1104 8.1104 14.2395 14.2396 16.0795 16.0802 16.4798 16.4799 16.6729 16.6729 k = 0.0615-0.0981-0.0598 ( 2338 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1028 -8.1028 -5.9894 -5.9894 0.7630 0.7630 6.7540 6.7548 6.9477 6.9477 7.7144 7.7191 7.9238 7.9277 8.0869 8.0870 14.2775 14.2776 16.1038 16.1045 16.4740 16.4742 16.7146 16.7146 k = 0.0692-0.1104-0.0673 ( 2334 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0884 -8.0884 -5.9811 -5.9811 0.7815 0.7815 6.6836 6.6844 6.9255 6.9255 7.7007 7.7072 7.8611 7.8667 8.0608 8.0608 14.3189 14.3190 16.1229 16.1235 16.4756 16.4760 16.7613 16.7613 k = 0.0769-0.1227-0.0747 ( 2334 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -8.0724 -8.0724 -5.9718 -5.9718 0.8022 0.8022 6.6064 6.6073 6.9010 6.9010 7.6787 7.6878 7.7985 7.8068 8.0320 8.0321 14.3635 14.3636 16.1327 16.1332 16.4885 16.4890 16.8127 16.8127 k = 0.0846-0.1349-0.0822 ( 2337 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -8.0546 -8.0546 -5.9616 -5.9616 0.8251 0.8251 6.5230 6.5238 6.8744 6.8744 7.6395 7.6503 7.7472 7.7570 8.0008 8.0008 14.4106 14.4107 16.1308 16.1312 16.5148 16.5156 16.8687 16.8687 k = 0.0923-0.1472-0.0897 ( 2338 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -8.0353 -8.0353 -5.9505 -5.9505 0.8500 0.8500 6.4335 6.4344 6.8458 6.8458 7.5774 7.5863 7.7159 7.7239 7.9672 7.9673 14.4598 14.4599 16.1175 16.1177 16.5542 16.5552 16.9289 16.9289 k = 0.1000-0.1595-0.0972 ( 2338 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -8.0143 -8.0143 -5.9386 -5.9386 0.8771 0.8771 6.3386 6.3394 6.8153 6.8153 7.4990 7.5057 7.6951 7.7009 7.9315 7.9316 14.5107 14.5108 16.0947 16.0948 16.6044 16.6056 16.9932 16.9932 k = 0.1077-0.1718-0.1046 ( 2340 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.9916 -7.9916 -5.9257 -5.9257 0.9062 0.9062 6.2384 6.2392 6.7830 6.7830 7.4115 7.4167 7.6773 7.6817 7.8937 7.8938 14.5627 14.5629 16.0649 16.0649 16.6628 16.6643 17.0612 17.0612 k = 0.1154-0.1840-0.1121 ( 2339 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.9674 -7.9674 -5.9121 -5.9121 0.9374 0.9374 6.1335 6.1343 6.7491 6.7491 7.3180 7.3222 7.6598 7.6632 7.8541 7.8542 14.6155 14.6157 16.0299 16.0299 16.7273 16.7289 17.1326 17.1326 k = 0.1231-0.1963-0.1196 ( 2339 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.9416 -7.9416 -5.8976 -5.8976 0.9707 0.9707 6.0242 6.0250 6.7137 6.7138 7.2200 7.2237 7.6417 7.6445 7.8128 7.8129 14.6686 14.6687 15.9912 15.9913 16.7960 16.7977 17.2072 17.2072 k = 0.1308-0.2086-0.1271 ( 2343 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.9141 -7.9141 -5.8823 -5.8823 1.0059 1.0060 5.9110 5.9117 6.6770 6.6770 7.1185 7.1217 7.6226 7.6250 7.7700 7.7701 14.7213 14.7215 15.9499 15.9501 16.8677 16.8695 17.2847 17.2847 k = 0.1385-0.2208-0.1345 ( 2341 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3204 -89.3204 -7.8851 -7.8851 -5.8662 -5.8662 1.0432 1.0432 5.7942 5.7949 6.6391 6.6391 7.0140 7.0168 7.6024 7.6044 7.7258 7.7259 14.7733 14.7735 15.9070 15.9072 16.9411 16.9431 17.3648 17.3648 k = 0.1462-0.2331-0.1420 ( 2337 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.8546 -7.8546 -5.8495 -5.8495 1.0824 1.0825 5.6742 5.6748 6.6000 6.6000 6.9070 6.9095 7.5809 7.5827 7.6804 7.6805 14.8238 14.8240 15.8631 15.8633 17.0154 17.0175 17.4471 17.4471 k = 0.1538-0.2454-0.1495 ( 2335 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.8225 -7.8225 -5.8320 -5.8320 1.1236 1.1236 5.5514 5.5520 6.5600 6.5600 6.7978 6.8001 7.5581 7.5598 7.6339 7.6340 14.8723 14.8725 15.8189 15.8192 17.0897 17.0919 17.5313 17.5313 k = 0.1615-0.2576-0.1569 ( 2337 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.7889 -7.7889 -5.8139 -5.8139 1.1666 1.1667 5.4261 5.4267 6.5192 6.5192 6.6868 6.6889 7.5339 7.5355 7.5865 7.5868 14.9178 14.9181 15.7753 15.7756 17.1631 17.1654 17.6170 17.6170 k = 0.1692-0.2699-0.1644 ( 2334 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.7539 -7.7538 -5.7952 -5.7952 1.2115 1.2116 5.2989 5.2994 6.4777 6.4777 6.5743 6.5763 7.5081 7.5097 7.5386 7.5390 14.9595 14.9598 15.7331 15.7334 17.2349 17.2372 17.7041 17.7041 k = 0.1769-0.2822-0.1719 ( 2337 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.7173 -7.7173 -5.7759 -5.7759 1.2582 1.2582 5.1699 5.1704 6.4356 6.4356 6.4607 6.4625 7.4792 7.4810 7.4915 7.4923 14.9960 14.9963 15.6935 15.6938 17.3043 17.3067 17.7921 17.7921 k = 0.1846-0.2944-0.1794 ( 2336 PWs) bands (ev): -90.7419 -90.7419 -90.5592 -90.5592 -89.3204 -89.3204 -7.6794 -7.6794 -5.7560 -5.7560 1.3066 1.3066 5.0397 5.0402 6.3460 6.3476 6.3932 6.3932 7.4377 7.4384 7.4562 7.4565 15.0260 15.0263 15.6576 15.6579 17.3706 17.3731 17.8807 17.8807 k = 0.1923-0.3067-0.1868 ( 2335 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.6400 -7.6400 -5.7357 -5.7357 1.3566 1.3567 4.9085 4.9089 6.2306 6.2321 6.3504 6.3504 7.3891 7.3894 7.4257 7.4263 15.0477 15.0479 15.6270 15.6273 17.4333 17.4358 17.9697 17.9697 k = 0.2000-0.3190-0.1943 ( 2335 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.5993 -7.5993 -5.7150 -5.7150 1.4083 1.4084 4.7767 4.7771 6.1147 6.1162 6.3073 6.3073 7.3394 7.3396 7.3944 7.3951 15.0594 15.0597 15.6031 15.6033 17.4918 17.4943 18.0586 18.0586 k = 0.2077-0.3312-0.2018 ( 2331 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.5572 -7.5572 -5.6939 -5.6939 1.4614 1.4615 4.6447 4.6450 5.9986 5.9999 6.2642 6.2642 7.2895 7.2897 7.3619 7.3626 15.0600 15.0603 15.5866 15.5869 17.5456 17.5481 18.1472 18.1472 k = 0.2154-0.3435-0.2093 ( 2331 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.5138 -7.5138 -5.6725 -5.6725 1.5159 1.5160 4.5128 4.5131 5.8824 5.8837 6.2211 6.2212 7.2396 7.2397 7.3279 7.3286 15.0494 15.0496 15.5775 15.5778 17.5945 17.5970 18.2351 18.2351 k = 0.2231-0.3558-0.2167 ( 2331 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.4691 -7.4691 -5.6508 -5.6508 1.5717 1.5718 4.3814 4.3817 5.7664 5.7676 6.1782 6.1782 7.1897 7.1898 7.2925 7.2932 15.0282 15.0284 15.5747 15.5749 17.6383 17.6408 18.3222 18.3222 k = 0.2308-0.3680-0.2242 ( 2333 PWs) bands (ev): -90.7417 -90.7417 -90.5592 -90.5592 -89.3202 -89.3202 -7.4232 -7.4232 -5.6290 -5.6290 1.6285 1.6286 4.2509 4.2511 5.6507 5.6519 6.1354 6.1355 7.1401 7.1402 7.2556 7.2562 14.9983 14.9985 15.5760 15.5762 17.6771 17.6795 18.4081 18.4082 k = 0.2385-0.3803-0.2317 ( 2333 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.3762 -7.3762 -5.6071 -5.6071 1.6862 1.6863 4.1218 4.1220 5.5357 5.5367 6.0930 6.0930 7.0909 7.0909 7.2171 7.2177 14.9616 14.9617 15.5792 15.5794 17.7110 17.7134 18.4309 18.4312 k = 0.2462-0.3926-0.2392 ( 2330 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.3279 -7.3279 -5.5851 -5.5851 1.7444 1.7446 3.9945 3.9946 5.4213 5.4223 6.0510 6.0510 7.0421 7.0421 7.1771 7.1777 14.9197 14.9198 15.5823 15.5825 17.7407 17.7430 18.4131 18.4133 k = 0.2538-0.4048-0.2466 ( 2330 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.2786 -7.2786 -5.5632 -5.5632 1.8029 1.8031 3.8696 3.8696 5.3079 5.3089 6.0095 6.0095 6.9938 6.9939 7.1354 7.1360 14.8741 14.8742 15.5837 15.5839 17.7667 17.7690 18.3982 18.3983 k = 0.2615-0.4171-0.2541 ( 2326 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.2283 -7.2283 -5.5414 -5.5414 1.8611 1.8614 3.7477 3.7477 5.1957 5.1966 5.9685 5.9685 6.9462 6.9462 7.0922 7.0927 14.8259 14.8259 15.5822 15.5824 17.7899 17.7921 18.3863 18.3863 k = 0.2692-0.4294-0.2616 ( 2326 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3201 -89.3201 -7.1769 -7.1769 -5.5198 -5.5198 1.9184 1.9187 3.6296 3.6296 5.0847 5.0856 5.9282 5.9283 6.8993 6.8993 7.0472 7.0477 14.7757 14.7757 15.5770 15.5771 17.8111 17.8132 18.3772 18.3773 k = 0.2769-0.4416-0.2691 ( 2326 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -7.1247 -7.1247 -5.4986 -5.4986 1.9740 1.9743 3.5163 3.5164 4.9753 4.9761 5.8887 5.8887 6.8532 6.8533 7.0005 7.0010 14.7242 14.7242 15.5674 15.5675 17.8314 17.8334 18.3707 18.3709 k = 0.2846-0.4539-0.2765 ( 2324 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -7.0716 -7.0716 -5.4777 -5.4777 2.0265 2.0269 3.4094 3.4096 4.8676 4.8683 5.8499 5.8499 6.8080 6.8081 6.9522 6.9526 14.6719 14.6719 15.5534 15.5535 17.8516 17.8536 18.3665 18.3668 k = 0.2923-0.4662-0.2840 ( 2324 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -7.0176 -7.0176 -5.4574 -5.4574 2.0743 2.0747 3.3106 3.3109 4.7618 4.7625 5.8120 5.8120 6.7638 6.7639 6.9020 6.9025 14.6191 14.6191 15.5348 15.5349 17.8725 17.8744 18.3643 18.3646 k = 0.3000-0.4785-0.2915 ( 2328 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.9630 -6.9630 -5.4377 -5.4377 2.1149 2.1154 3.2225 3.2228 4.6581 4.6587 5.7750 5.7750 6.7206 6.7207 6.8501 6.8505 14.5661 14.5661 15.5119 15.5120 17.8947 17.8965 18.3636 18.3640 k = 0.3077-0.4907-0.2990 ( 2329 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.9077 -6.9077 -5.4187 -5.4187 2.1451 2.1457 3.1484 3.1489 4.5567 4.5573 5.7390 5.7390 6.6786 6.6786 6.7964 6.7968 14.5131 14.5131 15.4850 15.4851 17.9186 17.9203 18.3642 18.3647 k = 0.3154-0.5030-0.3064 ( 2335 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.8519 -6.8519 -5.4005 -5.4005 2.1612 2.1619 3.0920 3.0926 4.4579 4.4584 5.7040 5.7040 6.6377 6.6377 6.7409 6.7413 14.4603 14.4603 15.4545 15.4547 17.9443 17.9461 18.3659 18.3664 k = 0.3231-0.5153-0.3139 ( 2333 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.7956 -6.7956 -5.3833 -5.3833 2.1600 2.1607 3.0569 3.0576 4.3619 4.3624 5.6701 5.6701 6.5980 6.5981 6.6836 6.6840 14.4080 14.4080 15.4211 15.4212 17.9720 17.9737 18.3683 18.3688 k = 0.3308-0.5275-0.3214 ( 2335 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.7389 -6.7389 -5.3672 -5.3672 2.1398 2.1406 3.0444 3.0451 4.2690 4.2695 5.6374 5.6374 6.5596 6.5597 6.6245 6.6249 14.3563 14.3563 15.3852 15.3853 18.0016 18.0033 18.3712 18.3718 k = 0.3385-0.5398-0.3288 ( 2337 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.6819 -6.6819 -5.3522 -5.3522 2.1021 2.1028 3.0533 3.0540 4.1796 4.1800 5.6058 5.6058 6.5224 6.5225 6.5637 6.5640 14.3054 14.3054 15.3475 15.3476 18.0329 18.0345 18.3747 18.3753 k = 0.3462-0.5521-0.3363 ( 2335 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.6248 -6.6248 -5.3386 -5.3386 2.0502 2.0509 3.0798 3.0805 4.0941 4.0946 5.5754 5.5754 6.4860 6.4864 6.5018 6.5018 14.2555 14.2555 15.3085 15.3086 18.0655 18.0671 18.3785 18.3791 k = 0.3538-0.5643-0.3438 ( 2335 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.5676 -6.5676 -5.3263 -5.3263 1.9885 1.9891 3.1194 3.1200 4.0133 4.0137 5.5464 5.5464 6.4349 6.4356 6.4539 6.4542 14.2067 14.2067 15.2687 15.2689 18.0992 18.1008 18.3826 18.3832 k = 0.3615-0.5766-0.3513 ( 2343 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.5105 -6.5105 -5.3156 -5.3156 1.9206 1.9212 3.1674 3.1681 3.9380 3.9383 5.5185 5.5186 6.3692 6.3697 6.4207 6.4208 14.1591 14.1592 15.2288 15.2289 18.1335 18.1350 18.3870 18.3876 k = 0.3692-0.5889-0.3587 ( 2343 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.4535 -6.4535 -5.3065 -5.3065 1.8496 1.8501 3.2198 3.2204 3.8698 3.8702 5.4921 5.4921 6.3014 6.3018 6.3895 6.3896 14.1131 14.1131 15.1892 15.1893 18.1680 18.1695 18.3917 18.3922 k = 0.3769-0.6011-0.3662 ( 2345 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.3969 -6.3969 -5.2992 -5.2992 1.7776 1.7781 3.2717 3.2723 3.8116 3.8119 5.4670 5.4670 6.2317 6.2321 6.3599 6.3599 14.0686 14.0686 15.1502 15.1503 18.2022 18.2037 18.3967 18.3972 k = 0.3846-0.6134-0.3737 ( 2345 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.3408 -6.3408 -5.2936 -5.2936 1.7062 1.7067 3.3170 3.3176 3.7681 3.7684 5.4432 5.4432 6.1605 6.1609 6.3319 6.3320 14.0259 14.0259 15.1123 15.1124 18.2356 18.2370 18.4022 18.4028 k = 0.3923-0.6257-0.3812 ( 2347 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.2854 -6.2854 -5.2900 -5.2900 1.6365 1.6369 3.3474 3.3479 3.7467 3.7469 5.4209 5.4209 6.0878 6.0882 6.3056 6.3056 13.9851 13.9851 15.0757 15.0758 18.2675 18.2688 18.4085 18.4090 k = 0.4000-0.6379-0.3886 ( 2347 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.2308 -6.2308 -5.2883 -5.2883 1.5695 1.5698 3.3555 3.3560 3.7541 3.7543 5.4001 5.4001 6.0137 6.0140 6.2810 6.2810 13.9464 13.9465 15.0408 15.0409 18.2971 18.2984 18.4160 18.4165 k = 0.4077-0.6502-0.3961 ( 2343 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.1772 -6.1772 -5.2887 -5.2887 1.5057 1.5060 3.3418 3.3422 3.7892 3.7895 5.3807 5.3807 5.9383 5.9387 6.2581 6.2581 13.9100 13.9100 15.0078 15.0079 18.3233 18.3246 18.4254 18.4259 k = 0.4154-0.6625-0.4036 ( 2341 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.1249 -6.1249 -5.2911 -5.2911 1.4456 1.4459 3.3141 3.3144 3.8439 3.8442 5.3627 5.3627 5.8619 5.8623 6.2369 6.2369 13.8759 13.8759 14.9769 14.9769 18.3452 18.3463 18.4374 18.4380 k = 0.4231-0.6747-0.4111 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -6.0741 -6.0741 -5.2954 -5.2954 1.3897 1.3900 3.2798 3.2801 3.9104 3.9107 5.3463 5.3463 5.7847 5.7850 6.2175 6.2175 13.8443 13.8443 14.9482 14.9483 18.3621 18.3631 18.4524 18.4530 k = 0.4308-0.6870-0.4185 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -6.0251 -6.0251 -5.3017 -5.3017 1.3383 1.3385 3.2438 3.2441 3.9834 3.9837 5.3314 5.3314 5.7069 5.7073 6.1998 6.1998 13.8154 13.8154 14.9219 14.9220 18.3744 18.3751 18.4697 18.4704 k = 0.4385-0.6993-0.4260 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.9781 -5.9781 -5.3098 -5.3098 1.2917 1.2919 3.2087 3.2089 4.0599 4.0602 5.3180 5.3180 5.6290 5.6294 6.1840 6.1840 13.7891 13.7892 14.8982 14.8982 18.3831 18.3837 18.4881 18.4887 k = 0.4462-0.7115-0.4335 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.9337 -5.9337 -5.3195 -5.3195 1.2501 1.2502 3.1761 3.1763 4.1378 4.1381 5.3062 5.3062 5.5515 5.5518 6.1700 6.1700 13.7658 13.7658 14.8770 14.8770 18.3893 18.3898 18.5062 18.5068 k = 0.4538-0.7238-0.4410 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8924 -5.8924 -5.3304 -5.3304 1.2136 1.2138 3.1468 3.1469 4.2154 4.2157 5.2959 5.2959 5.4752 5.4755 6.1578 6.1578 13.7453 13.7453 14.8585 14.8586 18.3940 18.3944 18.5229 18.5235 k = 0.4615-0.7361-0.4484 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8546 -5.8546 -5.3421 -5.3421 1.1825 1.1827 3.1213 3.1214 4.2911 4.2914 5.2871 5.2871 5.4011 5.4014 6.1475 6.1475 13.7279 13.7279 14.8428 14.8428 18.3974 18.3978 18.5378 18.5383 k = 0.4692-0.7484-0.4559 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8213 -5.8213 -5.3539 -5.3539 1.1569 1.1570 3.1001 3.1002 4.3629 4.3631 5.2799 5.2799 5.3312 5.3314 6.1391 6.1391 13.7135 13.7136 14.8299 14.8299 18.4000 18.4003 18.5504 18.5508 k = 0.4769-0.7606-0.4634 ( 2355 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7935 -5.7935 -5.3649 -5.3649 1.1369 1.1370 3.0834 3.0835 4.4277 4.4279 5.2668 5.2668 5.2755 5.2756 6.1325 6.1325 13.7023 13.7023 14.8198 14.8198 18.4019 18.4021 18.5604 18.5607 k = 0.4846-0.7729-0.4708 ( 2354 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7722 -5.7722 -5.3741 -5.3741 1.1226 1.1226 3.0714 3.0714 4.4813 4.4815 5.2152 5.2153 5.2707 5.2707 6.1278 6.1278 13.6943 13.6943 14.8125 14.8126 18.4033 18.4034 18.5676 18.5678 k = 0.4923-0.7852-0.4783 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7588 -5.7588 -5.3802 -5.3802 1.1140 1.1140 3.0641 3.0641 4.5177 4.5178 5.1796 5.1797 5.2682 5.2683 6.1249 6.1249 13.6894 13.6895 14.8082 14.8082 18.4041 18.4041 18.5720 18.5721 k = 0.5000-0.7974-0.4858 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7542 -5.7542 -5.3824 -5.3824 1.1111 1.1111 3.0617 3.0617 4.5308 4.5308 5.1669 5.1669 5.2674 5.2674 6.1240 6.1240 13.6878 13.6878 14.8068 14.8068 18.4043 18.4043 18.5736 18.5736 k = 0.5000-0.7974-0.4858 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7542 -5.7542 -5.3824 -5.3824 1.1111 1.1111 3.0617 3.0617 4.5308 4.5308 5.1669 5.1669 5.2674 5.2674 6.1240 6.1240 13.6878 13.6878 14.8068 14.8068 18.4043 18.4043 18.5736 18.5736 k = 0.5000-0.7889-0.4998 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7537 -5.7537 -5.3820 -5.3820 1.1119 1.1120 3.0617 3.0618 4.5313 4.5314 5.1594 5.1614 5.2675 5.2700 6.1222 6.1227 13.6930 13.6931 14.8082 14.8083 18.4032 18.4033 18.5753 18.5756 k = 0.5000-0.7804-0.5138 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7522 -5.7522 -5.3809 -5.3809 1.1145 1.1145 3.0620 3.0622 4.5327 4.5328 5.1407 5.1440 5.2690 5.2733 6.1176 6.1185 13.7085 13.7086 14.8128 14.8130 18.3999 18.4000 18.5810 18.5814 k = 0.5000-0.7719-0.5278 ( 2354 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7497 -5.7497 -5.3791 -5.3791 1.1187 1.1188 3.0624 3.0627 4.5350 4.5353 5.1135 5.1174 5.2692 5.2746 6.1104 6.1117 13.7339 13.7342 14.8204 14.8207 18.3936 18.3939 18.5908 18.5914 k = 0.5000-0.7633-0.5417 ( 2358 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7463 -5.7463 -5.3765 -5.3765 1.1247 1.1247 3.0629 3.0633 4.5382 4.5386 5.0797 5.0838 5.2660 5.2721 6.1011 6.1028 13.7688 13.7692 14.8310 14.8314 18.3838 18.3842 18.6049 18.6057 k = 0.5000-0.7548-0.5557 ( 2354 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7420 -5.7420 -5.3733 -5.3732 1.1323 1.1324 3.0634 3.0639 4.5423 4.5427 5.0402 5.0444 5.2582 5.2648 6.0903 6.0925 13.8123 13.8128 14.8448 14.8453 18.3695 18.3700 18.6235 18.6245 k = 0.5000-0.7463-0.5697 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7367 -5.7367 -5.3693 -5.3693 1.1416 1.1417 3.0639 3.0645 4.5471 4.5477 4.9958 5.0000 5.2450 5.2520 6.0788 6.0814 13.8635 13.8641 14.8617 14.8623 18.3496 18.3503 18.6467 18.6479 k = 0.5000-0.7378-0.5837 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7304 -5.7304 -5.3646 -5.3646 1.1526 1.1526 3.0642 3.0649 4.5526 4.5533 4.9469 4.9510 5.2261 5.2334 6.0674 6.0702 13.9210 13.9218 14.8821 14.8828 18.3231 18.3239 18.6745 18.6758 k = 0.5000-0.7293-0.5977 ( 2358 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7233 -5.7233 -5.3593 -5.3593 1.1651 1.1652 3.0641 3.0650 4.5586 4.5594 4.8941 4.8980 5.2015 5.2089 6.0566 6.0597 13.9833 13.9842 14.9062 14.9071 18.2888 18.2898 18.7065 18.7080 k = 0.5000-0.7207-0.6117 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7154 -5.7153 -5.3534 -5.3533 1.1793 1.1794 3.0636 3.0646 4.5648 4.5657 4.8377 4.8415 5.1714 5.1790 6.0472 6.0505 14.0486 14.0496 14.9347 14.9357 18.2458 18.2470 18.7426 18.7444 k = 0.5000-0.7122-0.6256 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7065 -5.7065 -5.3468 -5.3468 1.1951 1.1952 3.0624 3.0635 4.5710 4.5721 4.7784 4.7820 5.1363 5.1439 6.0395 6.0429 14.1145 14.1157 14.9683 14.9695 18.1935 18.1948 18.7825 18.7844 k = 0.5000-0.7037-0.6396 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6969 -5.6969 -5.3397 -5.3397 1.2123 1.2125 3.0602 3.0614 4.5767 4.5779 4.7165 4.7199 5.0970 5.1047 6.0337 6.0372 14.1787 14.1801 15.0081 15.0094 18.1317 18.1331 18.8257 18.8279 k = 0.5000-0.6952-0.6536 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6866 -5.6866 -5.3321 -5.3320 1.2311 1.2313 3.0566 3.0580 4.5811 4.5826 4.6527 4.6559 5.0549 5.0625 6.0300 6.0335 14.2386 14.2401 15.0550 15.0565 18.0610 18.0623 18.8719 18.8743 k = 0.5000-0.6867-0.6676 ( 2354 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6755 -5.6755 -5.3239 -5.3239 1.2514 1.2515 3.0514 3.0530 4.5820 4.5847 4.5890 4.5911 5.0115 5.0190 6.0285 6.0319 14.2917 14.2933 15.1100 15.1117 17.9823 17.9837 18.9206 18.9232 k = 0.5000-0.6781-0.6816 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6638 -5.6638 -5.3153 -5.3153 1.2730 1.2732 3.0442 3.0458 4.5218 4.5247 4.5823 4.5840 4.9691 4.9764 6.0289 6.0323 14.3359 14.3377 15.1734 15.1752 17.8974 17.8988 18.9714 18.9742 k = 0.5000-0.6696-0.6956 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6515 -5.6515 -5.3063 -5.3062 1.2960 1.2962 3.0343 3.0361 4.4565 4.4591 4.5752 4.5770 4.9306 4.9376 6.0313 6.0346 14.3701 14.3720 15.2448 15.2466 17.8082 17.8096 19.0239 19.0270 k = 0.5000-0.6611-0.7096 ( 2358 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6386 -5.6386 -5.2969 -5.2969 1.3202 1.3205 3.0214 3.0234 4.3920 4.3943 4.5601 4.5618 4.8991 4.9056 6.0353 6.0385 14.3939 14.3958 15.3226 15.3245 17.7169 17.7182 19.0779 19.0812 k = 0.5000-0.6526-0.7235 ( 2362 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6253 -5.6253 -5.2873 -5.2872 1.3457 1.3459 3.0049 3.0070 4.3292 4.3311 4.5355 4.5370 4.8772 4.8830 6.0409 6.0440 14.4074 14.4093 15.4048 15.4067 17.6258 17.6271 19.1333 19.1367 k = 0.5000-0.6441-0.7375 ( 2358 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6115 -5.6115 -5.2774 -5.2773 1.3722 1.3725 2.9843 2.9865 4.2685 4.2701 4.5014 4.5027 4.8655 4.8705 6.0480 6.0510 14.4113 14.4132 15.4884 15.4903 17.5373 17.5386 19.1896 19.1931 k = 0.5000-0.6355-0.7515 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3198 -89.3198 -5.5974 -5.5974 -5.2673 -5.2672 1.3997 1.4001 2.9590 2.9614 4.2105 4.2117 4.4599 4.4612 4.8627 4.8670 6.0563 6.0592 14.4063 14.4082 15.5704 15.5723 17.4540 17.4553 19.2462 19.2496 k = 0.5000-0.6270-0.7655 ( 2356 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3198 -89.3198 -5.5831 -5.5830 -5.2571 -5.2570 1.4281 1.4285 2.9289 2.9313 4.1551 4.1560 4.4142 4.4158 4.8670 4.8706 6.0657 6.0685 14.3933 14.3951 15.6472 15.6490 17.3788 17.3800 19.3014 19.3046 k = 0.5000-0.6185-0.7795 ( 2356 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5685 -5.5685 -5.2468 -5.2467 1.4573 1.4577 2.8936 2.8961 4.1021 4.1030 4.3676 4.3696 4.8763 4.8793 6.0762 6.0788 14.3729 14.3747 15.7150 15.7168 17.3146 17.3157 19.3520 19.3545 k = 0.5000-0.6100-0.7935 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5539 -5.5539 -5.2366 -5.2365 1.4870 1.4875 2.8532 2.8558 4.0507 4.0519 4.3231 4.3255 4.8892 4.8918 6.0875 6.0901 14.3458 14.3476 15.7703 15.7720 17.2646 17.2656 19.3937 19.3952 k = 0.5000-0.6015-0.8075 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5393 -5.5393 -5.2264 -5.2264 1.5170 1.5176 2.8080 2.8106 4.0003 4.0019 4.2832 4.2860 4.9046 4.9069 6.0997 6.1022 14.3126 14.3144 15.8096 15.8112 17.2315 17.2324 19.4254 19.4261 k = 0.5000-0.5929-0.8214 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5248 -5.5248 -5.2164 -5.2164 1.5473 1.5479 2.7585 2.7612 3.9500 3.9521 4.2497 4.2529 4.9219 4.9239 6.1126 6.1150 14.2738 14.2756 15.8307 15.8322 17.2172 17.2180 19.4499 19.4502 k = 0.5000-0.5844-0.8354 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5106 -5.5106 -5.2067 -5.2066 1.5774 1.5781 2.7054 2.7081 3.8995 3.9018 4.2239 4.2273 4.9405 4.9423 6.1261 6.1284 14.2300 14.2317 15.8331 15.8344 17.2219 17.2226 19.4703 19.4707 k = 0.5000-0.5759-0.8494 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4967 -5.4966 -5.1973 -5.1972 1.6071 1.6079 2.6496 2.6524 3.8488 3.8513 4.2060 4.2095 4.9601 4.9616 6.1402 6.1425 14.1816 14.1832 15.8179 15.8191 17.2440 17.2447 19.4889 19.4894 k = 0.5000-0.5674-0.8634 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4832 -5.4832 -5.1883 -5.1882 1.6360 1.6369 2.5920 2.5948 3.7983 3.8009 4.1957 4.1992 4.9803 4.9817 6.1549 6.1571 14.1290 14.1307 15.7879 15.7890 17.2806 17.2814 19.5068 19.5074 k = 0.5000-0.5589-0.8774 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4703 -5.4703 -5.1798 -5.1797 1.6636 1.6647 2.5336 2.5366 3.7490 3.7515 4.1925 4.1959 5.0009 5.0021 6.1700 6.1722 14.0729 14.0745 15.7463 15.7473 17.3284 17.3293 19.5245 19.5252 k = 0.5000-0.5503-0.8914 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4581 -5.4581 -5.1718 -5.1718 1.6894 1.6907 2.4756 2.4787 3.7015 3.7040 4.1954 4.1986 5.0217 5.0227 6.1856 6.1877 14.0137 14.0153 15.6965 15.6974 17.3842 17.3852 19.5424 19.5431 k = 0.5000-0.5418-0.9054 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4468 -5.4467 -5.1646 -5.1645 1.7128 1.7143 2.4191 2.4223 3.6569 3.6593 4.2037 4.2068 5.0424 5.0433 6.2016 6.2037 13.9519 13.9535 15.6412 15.6421 17.4451 17.4463 19.5607 19.5614 k = 0.5000-0.5333-0.9193 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4364 -5.4364 -5.1580 -5.1579 1.7330 1.7347 2.3652 2.3686 3.6159 3.6181 4.2167 4.2196 5.0629 5.0636 6.2179 6.2200 13.8881 13.8896 15.5826 15.5835 17.5092 17.5105 19.5794 19.5801 k = 0.5000-0.5248-0.9333 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4271 -5.4271 -5.1522 -5.1522 1.7490 1.7509 2.3153 2.3189 3.5792 3.5813 4.2337 4.2365 5.0829 5.0836 6.2346 6.2367 13.8227 13.8242 15.5225 15.5233 17.5749 17.5763 19.5986 19.5994 k = 0.5000-0.5163-0.9473 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4191 -5.4191 -5.1474 -5.1473 1.7599 1.7621 2.2705 2.2743 3.5476 3.5496 4.2544 4.2569 5.1024 5.1029 6.2516 6.2536 13.7562 13.7577 15.4621 15.4629 17.6411 17.6426 19.6183 19.6191 k = 0.5000-0.5077-0.9613 ( 2348 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4126 -5.4125 -5.1435 -5.1434 1.7648 1.7673 2.2321 2.2361 3.5217 3.5235 4.2781 4.2806 5.1211 5.1215 6.2689 6.2709 13.6892 13.6907 15.4024 15.4032 17.7071 17.7087 19.6385 19.6392 k = 0.5000-0.4992-0.9753 ( 2350 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4075 -5.4075 -5.1406 -5.1405 1.7632 1.7658 2.2009 2.2050 3.5019 3.5036 4.3047 4.3069 5.1389 5.1392 6.2864 6.2885 13.6222 13.6237 15.3442 15.3449 17.7724 17.7740 19.6590 19.6598 k = 0.5000-0.4907-0.9893 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4042 -5.4042 -5.1388 -5.1387 1.7551 1.7577 2.1771 2.1813 3.4886 3.4902 4.3337 4.3358 5.1556 5.1558 6.3042 6.3063 13.5557 13.5571 15.2879 15.2886 17.8367 17.8384 19.6798 19.6806 k = 0.5000-0.4822-1.0032 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4027 -5.4027 -5.1381 -5.1380 1.7413 1.7439 2.1603 2.1644 3.4822 3.4837 4.3648 4.3668 5.1711 5.1712 6.3222 6.3243 13.4901 13.4915 15.2339 15.2346 17.8997 17.9015 19.7008 19.7016 k = 0.5000-0.4737-1.0172 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4032 -5.4032 -5.1387 -5.1386 1.7233 1.7258 2.1492 2.1532 3.4827 3.4841 4.3979 4.3998 5.1851 5.1853 6.3404 6.3425 13.4259 13.4273 15.1827 15.1833 17.9615 17.9634 19.7218 19.7227 k = 0.5000-0.4651-1.0312 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4058 -5.4057 -5.1405 -5.1404 1.7030 1.7053 2.1426 2.1463 3.4903 3.4915 4.4328 4.4345 5.1977 5.1980 6.3588 6.3610 13.3635 13.3649 15.1344 15.1350 18.0220 18.0239 19.7427 19.7436 k = 0.5000-0.4566-1.0452 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4105 -5.4105 -5.1436 -5.1435 1.6820 1.6841 2.1391 2.1426 3.5047 3.5059 4.4691 4.4707 5.2087 5.2091 6.3773 6.3796 13.3034 13.3047 15.0892 15.0898 18.0811 18.0830 19.7631 19.7641 k = 0.5000-0.4481-1.0592 ( 2356 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4176 -5.4176 -5.1481 -5.1480 1.6618 1.6637 2.1378 2.1411 3.5257 3.5268 4.5067 4.5081 5.2182 5.2187 6.3959 6.3982 13.2458 13.2471 15.0473 15.0479 18.1388 18.1408 19.7829 19.7840 k = 0.8144-0.3577-0.8840 ( 2356 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4176 -5.4176 -5.1481 -5.1480 1.6618 1.6637 2.1378 2.1411 3.5257 3.5268 4.5067 4.5081 5.2182 5.2187 6.3959 6.3982 13.2458 13.2471 15.0473 15.0479 18.1388 18.1408 19.7829 19.7840 k = 0.8099-0.3505-0.8701 ( 2360 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4270 -5.4269 -5.1539 -5.1538 1.6436 1.6454 2.1383 2.1414 3.5528 3.5538 4.5450 4.5464 5.2259 5.2265 6.4145 6.4169 13.1917 13.1930 15.0092 15.0097 18.1947 18.1968 19.8016 19.8027 k = 0.8054-0.3434-0.8562 ( 2360 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4387 -5.4387 -5.1611 -5.1611 1.6282 1.6298 2.1403 2.1432 3.5857 3.5867 4.5842 4.5854 5.2322 5.2329 6.4331 6.4355 13.1408 13.1421 14.9746 14.9751 18.2493 18.2514 19.8188 19.8200 k = 0.8010-0.3362-0.8424 ( 2360 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4530 -5.4529 -5.1698 -5.1697 1.6162 1.6177 2.1437 2.1464 3.6239 3.6248 4.6238 4.6250 5.2370 5.2378 6.4516 6.4542 13.0935 13.0947 14.9436 14.9441 18.3026 18.3047 19.8334 19.8350 k = 0.7965-0.3290-0.8285 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4697 -5.4697 -5.1800 -5.1799 1.6081 1.6095 2.1487 2.1512 3.6671 3.6679 4.6636 4.6647 5.2406 5.2415 6.4701 6.4727 13.0500 13.0512 14.9163 14.9168 18.3545 18.3566 19.8401 19.8430 k = 0.7920-0.3219-0.8146 ( 2362 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4889 -5.4888 -5.1917 -5.1916 1.6043 1.6055 2.1554 2.1578 3.7146 3.7155 4.7032 4.7041 5.2432 5.2443 6.4884 6.4911 13.0106 13.0118 14.8928 14.8932 18.4049 18.4071 19.7984 19.8035 k = 0.7875-0.3147-0.8007 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5105 -5.5105 -5.2049 -5.2048 1.6049 1.6060 2.1641 2.1663 3.7662 3.7670 4.7418 4.7427 5.2456 5.2467 6.5065 6.5093 12.9755 12.9767 14.8731 14.8735 18.4539 18.4561 19.7268 19.7316 k = 0.7830-0.3075-0.7868 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5346 -5.5346 -5.2196 -5.2196 1.6102 1.6113 2.1749 2.1771 3.8213 3.8221 4.7788 4.7797 5.2482 5.2494 6.5243 6.5272 12.9449 12.9461 14.8574 14.8577 18.5013 18.5035 19.6515 19.6561 k = 0.7785-0.3004-0.7730 ( 2356 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5610 -5.5610 -5.2360 -5.2359 1.6203 1.6213 2.1882 2.1902 3.8796 3.8804 4.8132 4.8141 5.2521 5.2534 6.5418 6.5448 12.9190 12.9202 14.8455 14.8459 18.5469 18.5492 19.5748 19.5794 k = 0.7740-0.2932-0.7591 ( 2358 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3198 -89.3198 -5.5898 -5.5898 -5.2538 -5.2538 1.6353 1.6362 2.2041 2.2060 3.9405 3.9413 4.8437 4.8447 5.2586 5.2600 6.5588 6.5619 12.8980 12.8991 14.8377 14.8380 18.5906 18.5929 19.4977 19.5022 k = 0.7695-0.2860-0.7452 ( 2354 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6208 -5.6208 -5.2733 -5.2732 1.6552 1.6560 2.2228 2.2246 4.0039 4.0047 4.8689 4.8700 5.2691 5.2706 6.5753 6.5785 12.8819 12.8830 14.8338 14.8341 18.6321 18.6345 19.4207 19.4252 k = 0.7650-0.2789-0.7313 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6539 -5.6539 -5.2943 -5.2942 1.6800 1.6808 2.2445 2.2462 4.0692 4.0700 4.8875 4.8888 5.2851 5.2866 6.5912 6.5945 12.8709 12.8720 14.8339 14.8342 18.6710 18.6734 19.3443 19.3487 k = 0.7605-0.2717-0.7174 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6891 -5.6891 -5.3167 -5.3167 1.7097 1.7104 2.2692 2.2708 4.1360 4.1369 4.8987 4.9002 5.3074 5.3089 6.6065 6.6099 12.8650 12.8661 14.8380 14.8383 18.7067 18.7091 19.2692 19.2736 k = 0.7560-0.2646-0.7036 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7262 -5.7262 -5.3407 -5.3406 1.7441 1.7448 2.2970 2.2985 4.2040 4.2049 4.9026 4.9043 5.3364 5.3379 6.6212 6.6247 12.8644 12.8654 14.8461 14.8464 18.7380 18.7404 19.1964 19.2008 k = 0.7515-0.2574-0.6897 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7651 -5.7651 -5.3661 -5.3660 1.7833 1.7839 2.3281 2.3294 4.2724 4.2735 4.9000 4.9020 5.3716 5.3730 6.6351 6.6387 12.8690 12.8700 14.8581 14.8584 18.7632 18.7655 19.1276 19.1320 k = 0.7471-0.2502-0.6758 ( 2340 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8057 -5.8057 -5.3929 -5.3928 1.8270 1.8276 2.3623 2.3636 4.3405 4.3418 4.8925 4.8948 5.4120 5.4134 6.6483 6.6520 12.8788 12.8798 14.8740 14.8743 18.7787 18.7808 19.0662 19.0703 k = 0.7426-0.2431-0.6619 ( 2336 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8478 -5.8478 -5.4210 -5.4209 1.8753 1.8758 2.3999 2.4010 4.4072 4.4087 4.8820 4.8847 5.4566 5.4580 6.6608 6.6646 12.8939 12.8949 14.8938 14.8940 18.7786 18.7801 19.0177 19.0212 k = 0.7381-0.2359-0.6480 ( 2340 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8914 -5.8913 -5.4504 -5.4503 1.9278 1.9284 2.4406 2.4417 4.4703 4.4722 4.8715 4.8746 5.5046 5.5061 6.6725 6.6764 12.9142 12.9151 14.9173 14.9175 18.7566 18.7573 18.9874 18.9902 k = 0.7336-0.2287-0.6342 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.9362 -5.9362 -5.4809 -5.4808 1.9846 1.9851 2.4845 2.4855 4.5264 4.5288 4.8649 4.8687 5.5553 5.5568 6.6836 6.6876 12.9396 12.9405 14.9445 14.9446 18.7131 18.7143 18.9727 18.9752 k = 0.7291-0.2216-0.6203 ( 2342 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -5.9822 -5.9821 -5.5125 -5.5125 2.0453 2.0458 2.5316 2.5325 4.5699 4.5727 4.8687 4.8729 5.6080 5.6096 6.6940 6.6982 12.9701 12.9710 14.9752 14.9753 18.6565 18.6584 18.9634 18.9661 k = 0.7246-0.2144-0.6064 ( 2344 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.0291 -6.0291 -5.5452 -5.5452 2.1098 2.1103 2.5817 2.5825 4.5943 4.5972 4.8899 4.8942 5.6625 5.6642 6.7039 6.7082 13.0056 13.0065 15.0093 15.0095 18.5940 18.5963 18.9506 18.9537 k = 0.7201-0.2072-0.5925 ( 2342 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.0770 -6.0769 -5.5788 -5.5788 2.1779 2.1785 2.6348 2.6355 4.5981 4.6006 4.9303 4.9343 5.7184 5.7202 6.7133 6.7177 13.0460 13.0468 15.0467 15.0469 18.5289 18.5314 18.9282 18.9316 k = 0.7156-0.2001-0.5786 ( 2342 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.1256 -6.1255 -5.6133 -5.6132 2.2493 2.2499 2.6907 2.6914 4.5860 4.5880 4.9852 4.9888 5.7754 5.7774 6.7224 6.7270 13.0911 13.0919 15.0872 15.0874 18.4632 18.4659 18.8936 18.8972 k = 0.7111-0.1929-0.5648 ( 2344 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.1748 -6.1748 -5.6485 -5.6485 2.3239 2.3245 2.7494 2.7500 4.5640 4.5655 5.0487 5.0518 5.8333 5.8355 6.7313 6.7360 13.1407 13.1415 15.1307 15.1308 18.3977 18.4005 18.8479 18.8515 k = 0.7066-0.1857-0.5509 ( 2342 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.2245 -6.2245 -5.6844 -5.6844 2.4013 2.4020 2.8107 2.8113 4.5362 4.5374 5.1166 5.1195 5.8921 5.8944 6.7402 6.7450 13.1948 13.1956 15.1768 15.1770 18.3331 18.3359 18.7939 18.7975 k = 0.7021-0.1786-0.5370 ( 2342 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3199 -6.2746 -6.2745 -5.7209 -5.7208 2.4812 2.4820 2.8743 2.8749 4.5051 4.5060 5.1868 5.1895 5.9514 5.9539 6.7492 6.7542 13.2531 13.2539 15.2255 15.2257 18.2697 18.2725 18.7349 18.7384 k = 0.6976-0.1714-0.5231 ( 2342 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.3249 -6.3249 -5.7578 -5.7578 2.5634 2.5642 2.9402 2.9407 4.4723 4.4731 5.2579 5.2604 6.0113 6.0141 6.7585 6.7638 13.3155 13.3162 15.2764 15.2767 18.2077 18.2106 18.6733 18.6766 k = 0.6932-0.1643-0.5092 ( 2344 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.3753 -6.3753 -5.7952 -5.7951 2.6474 2.6483 3.0079 3.0083 4.4390 4.4397 5.3289 5.3314 6.0717 6.0746 6.7685 6.7740 13.3817 13.3823 15.3293 15.3296 18.1475 18.1503 18.6108 18.6140 k = 0.6887-0.1571-0.4954 ( 2340 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.4258 -6.4258 -5.8328 -5.8328 2.7329 2.7338 3.0771 3.0775 4.4061 4.4068 5.3993 5.4017 6.1325 6.1356 6.7793 6.7850 13.4514 13.4521 15.3839 15.3842 18.0891 18.0918 18.5486 18.5517 k = 0.6842-0.1499-0.4815 ( 2336 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.4762 -6.4762 -5.8707 -5.8706 2.8194 2.8203 3.1473 3.1477 4.3748 4.3756 5.4685 5.4709 6.1935 6.1969 6.7913 6.7972 13.5245 13.5251 15.4399 15.4403 18.0327 18.0353 18.4875 18.4904 k = 0.6797-0.1428-0.4676 ( 2336 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.5264 -6.5264 -5.9086 -5.9086 2.9064 2.9073 3.2179 3.2182 4.3461 4.3469 5.5362 5.5386 6.2548 6.2584 6.8046 6.8108 13.6007 13.6013 15.4969 15.4974 17.9784 17.9810 18.4279 18.4307 k = 0.6752-0.1356-0.4537 ( 2336 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.5764 -6.5764 -5.9467 -5.9466 2.9934 2.9943 3.2879 3.2880 4.3213 4.3223 5.6019 5.6044 6.3163 6.3202 6.8195 6.8260 13.6797 13.6802 15.5547 15.5552 17.9265 17.9290 18.3702 18.3729 k = 0.6707-0.1284-0.4398 ( 2334 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.6260 -6.6259 -5.9847 -5.9846 3.0796 3.0804 3.3560 3.3561 4.3023 4.3036 5.6654 5.6680 6.3779 6.3820 6.8364 6.8431 13.7612 13.7617 15.6127 15.6133 17.8770 17.8794 18.3148 18.3173 k = 0.6662-0.1213-0.4260 ( 2336 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -6.6751 -6.6751 -6.0225 -6.0225 3.1641 3.1649 3.4207 3.4211 4.2913 4.2927 5.7265 5.7291 6.4396 6.4439 6.8554 6.8624 13.8448 13.8453 15.6708 15.6714 17.8301 17.8324 18.2618 18.2642 k = 0.6617-0.1141-0.4121 ( 2340 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -6.7237 -6.7237 -6.0602 -6.0602 3.2457 3.2463 3.4804 3.4813 4.2907 4.2925 5.7849 5.7876 6.5013 6.5058 6.8768 6.8840 13.9303 13.9308 15.7283 15.7290 17.7859 17.7882 18.2114 18.2137 k = 0.6572-0.1069-0.3982 ( 2340 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -6.7717 -6.7717 -6.0976 -6.0976 3.3222 3.3225 3.5343 3.5358 4.3035 4.3056 5.8405 5.8434 6.5630 6.5677 6.9007 6.9081 14.0173 14.0177 15.7850 15.7858 17.7447 17.7469 18.1636 18.1658 k = 0.6527-0.0998-0.3843 ( 2342 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.8190 -6.8190 -6.1346 -6.1346 3.3898 3.3901 3.5836 3.5857 4.3318 4.3342 5.8934 5.8964 6.6245 6.6293 6.9271 6.9347 14.1053 14.1057 15.8404 15.8413 17.7067 17.7088 18.1185 18.1206 k = 0.6482-0.0926-0.3704 ( 2342 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.8655 -6.8655 -6.1713 -6.1713 3.4425 3.4433 3.6328 3.6356 4.3766 4.3792 5.9437 5.9467 6.6858 6.6907 6.9562 6.9639 14.1940 14.1944 15.8942 15.8952 17.6719 17.6739 18.0762 18.0781 k = 0.6437-0.0855-0.3566 ( 2338 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.9112 -6.9112 -6.2075 -6.2074 3.4755 3.4764 3.6879 3.6910 4.4370 4.4399 5.9915 5.9946 6.7467 6.7516 6.9879 6.9957 14.2830 14.2833 15.9460 15.9471 17.6406 17.6425 18.0365 18.0383 k = 0.6392-0.0783-0.3427 ( 2344 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.9561 -6.9561 -6.2431 -6.2431 3.4888 3.4897 3.7501 3.7532 4.5113 4.5142 6.0370 6.0403 6.8071 6.8120 7.0221 7.0299 14.3716 14.3719 15.9955 15.9967 17.6129 17.6148 17.9994 18.0011 k = 0.6348-0.0711-0.3288 ( 2350 PWs) bands (ev): -90.7417 -90.7417 -90.5592 -90.5592 -89.3202 -89.3202 -7.0000 -6.9999 -6.2781 -6.2781 3.4870 3.4877 3.8169 3.8198 4.5968 4.5999 6.0808 6.0841 6.8667 6.8715 7.0587 7.0663 14.4594 14.4597 16.0424 16.0437 17.5891 17.5910 17.9648 17.9664 k = 0.6303-0.0640-0.3149 ( 2352 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.0429 -7.0428 -6.3125 -6.3124 3.4750 3.4755 3.8853 3.8879 4.6913 4.6944 6.1232 6.1266 6.9254 6.9299 7.0974 7.1047 14.5459 14.5461 16.0865 16.0880 17.5692 17.5711 17.9325 17.9340 k = 0.6258-0.0568-0.3010 ( 2350 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.0847 -7.0847 -6.3461 -6.3461 3.4561 3.4565 3.9533 3.9557 4.7927 4.7958 6.1646 6.1680 6.9830 6.9872 7.1380 7.1449 14.6303 14.6305 16.1279 16.1295 17.5535 17.5553 17.9024 17.9038 k = 0.6213-0.0496-0.2872 ( 2350 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.1255 -7.1254 -6.3790 -6.3790 3.4328 3.4331 4.0197 4.0220 4.8994 4.9025 6.2055 6.2090 7.0391 7.0429 7.1803 7.1867 14.7121 14.7123 16.1666 16.1682 17.5420 17.5437 17.8743 17.8756 k = 0.6168-0.0425-0.2733 ( 2350 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.1651 -7.1650 -6.4111 -6.4111 3.4065 3.4068 4.0840 4.0860 5.0102 5.0132 6.2463 6.2499 7.0937 7.0968 7.2240 7.2297 14.7905 14.7906 16.2027 16.2044 17.5346 17.5364 17.8480 17.8492 k = 0.6123-0.0353-0.2594 ( 2348 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.2035 -7.2035 -6.4423 -6.4423 3.3785 3.3787 4.1454 4.1473 5.1239 5.1269 6.2875 6.2911 7.1465 7.1490 7.2688 7.2737 14.8647 14.8649 16.2365 16.2384 17.5314 17.5332 17.8231 17.8242 k = 0.6078-0.0281-0.2455 ( 2344 PWs) bands (ev): -90.7419 -90.7419 -90.5592 -90.5592 -89.3203 -89.3203 -7.2407 -7.2406 -6.4726 -6.4726 3.3494 3.3495 4.2039 4.2056 5.2398 5.2428 6.3295 6.3331 7.1973 7.1991 7.3142 7.3182 14.9341 14.9343 16.2686 16.2705 17.5323 17.5340 17.7995 17.8005 k = 0.6033-0.0210-0.2316 ( 2340 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.2766 -7.2766 -6.5019 -6.5019 3.3197 3.3198 4.2589 4.2605 5.3572 5.3601 6.3724 6.3760 7.2461 7.2475 7.3599 7.3630 14.9978 14.9981 16.2993 16.3013 17.5371 17.5387 17.7768 17.7778 k = 0.5988-0.0138-0.2178 ( 2342 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.3112 -7.3112 -6.5303 -6.5303 3.2900 3.2901 4.3105 4.3120 5.4754 5.4783 6.4165 6.4201 7.2927 7.2940 7.4052 7.4074 15.0552 15.0555 16.3292 16.3312 17.5454 17.5469 17.7550 17.7559 k = 0.5943-0.0067-0.2039 ( 2342 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.3445 -7.3445 -6.5577 -6.5576 3.2606 3.2606 4.3585 4.3598 5.5939 5.5967 6.4619 6.4656 7.3373 7.3389 7.4499 7.4513 15.1056 15.1060 16.3589 16.3609 17.5568 17.5583 17.7337 17.7345 k = 0.5898 0.0005-0.1900 ( 2344 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.3764 -7.3764 -6.5840 -6.5839 3.2316 3.2317 4.4028 4.4040 5.7122 5.7150 6.5087 6.5123 7.3800 7.3820 7.4934 7.4940 15.1485 15.1490 16.3887 16.3908 17.5707 17.5721 17.7130 17.7137 k = 0.5853 0.0077-0.1761 ( 2340 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.4070 -7.4069 -6.6092 -6.6091 3.2033 3.2034 4.4435 4.4445 5.8297 5.8325 6.5568 6.5604 7.4209 7.4234 7.5353 7.5353 15.1836 15.1842 16.4192 16.4213 17.5860 17.5873 17.6931 17.6936 k = 0.5809 0.0148-0.1622 ( 2346 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3204 -89.3204 -7.4361 -7.4361 -6.6332 -6.6332 3.1759 3.1760 4.4805 4.4815 5.9461 5.9488 6.6061 6.6097 7.4601 7.4630 7.5748 7.5753 15.2108 15.2114 16.4504 16.4525 17.6005 17.6017 17.6750 17.6753 k = 0.5764 0.0220-0.1484 ( 2342 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.4637 -7.4637 -6.6562 -6.6562 3.1495 3.1495 4.5141 4.5150 6.0608 6.0635 6.6563 6.6598 7.4977 7.5009 7.6121 7.6131 15.2302 15.2309 16.4824 16.4845 17.6088 17.6102 17.6625 17.6630 k = 0.5719 0.0292-0.1345 ( 2348 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.4899 -7.4899 -6.6779 -6.6779 3.1241 3.1242 4.5444 4.5452 6.1733 6.1760 6.7071 6.7107 7.5336 7.5371 7.6471 7.6484 15.2421 15.2428 16.5153 16.5173 17.6029 17.6044 17.6621 17.6628 k = 0.5674 0.0363-0.1206 ( 2344 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.5147 -7.5146 -6.6985 -6.6985 3.1000 3.1000 4.5715 4.5722 6.2831 6.2859 6.7583 6.7618 7.5679 7.5716 7.6794 7.6811 15.2471 15.2478 16.5486 16.5507 17.5859 17.5872 17.6682 17.6689 k = 0.5629 0.0435-0.1067 ( 2344 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.5379 -7.5378 -6.7178 -6.7178 3.0771 3.0772 4.5956 4.5963 6.3899 6.3926 6.8093 6.8128 7.6004 7.6043 7.7090 7.7110 15.2456 15.2464 16.5823 16.5843 17.5646 17.5658 17.6704 17.6712 k = 0.5584 0.0507-0.0928 ( 2346 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.5595 -7.5595 -6.7359 -6.7359 3.0556 3.0556 4.6170 4.6176 6.4930 6.4957 6.8599 6.8634 7.6313 7.6352 7.7357 7.7379 15.2386 15.2394 16.6160 16.6179 17.5414 17.5426 17.6626 17.6636 k = 0.5539 0.0578-0.0790 ( 2346 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.5797 -7.5797 -6.7527 -6.7527 3.0355 3.0355 4.6358 4.6363 6.5920 6.5947 6.9095 6.9129 7.6604 7.6644 7.7594 7.7617 15.2269 15.2276 16.6493 16.6512 17.5173 17.5184 17.6418 17.6430 k = 0.5494 0.0650-0.0651 ( 2348 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -7.5982 -7.5982 -6.7683 -6.7683 3.0168 3.0168 4.6523 4.6527 6.6864 6.6891 6.9577 6.9610 7.6877 7.6916 7.7801 7.7825 15.2113 15.2120 16.6821 16.6839 17.4925 17.4936 17.6090 17.6102 k = 0.5449 0.0722-0.0512 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -7.6153 -7.6152 -6.7825 -6.7825 2.9996 2.9996 4.6666 4.6670 6.7756 6.7782 7.0039 7.0071 7.7132 7.7170 7.7976 7.8001 15.1929 15.1935 16.7140 16.7157 17.4674 17.4686 17.5681 17.5693 k = 0.5404 0.0793-0.0373 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6307 -7.6307 -6.7954 -6.7954 2.9840 2.9840 4.6789 4.6793 6.8590 6.8616 7.0477 7.0507 7.7367 7.7404 7.8122 7.8147 15.1724 15.1731 16.7448 16.7463 17.4423 17.4435 17.5236 17.5248 k = 0.5359 0.0865-0.0234 ( 2342 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6445 -7.6445 -6.8070 -6.8070 2.9699 2.9699 4.6895 4.6898 6.9363 6.9388 7.0885 7.0914 7.7583 7.7618 7.8239 7.8264 15.1510 15.1516 16.7741 16.7756 17.4175 17.4188 17.4791 17.4803 k = 0.5314 0.0936-0.0096 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6567 -7.6567 -6.8173 -6.8173 2.9574 2.9574 4.6984 4.6987 7.0066 7.0091 7.1259 7.1286 7.7778 7.7810 7.8328 7.8352 15.1294 15.1299 16.8019 16.8033 17.3934 17.3947 17.4372 17.4384 k = 0.5270 0.1008 0.0043 ( 2338 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6673 -7.6673 -6.8262 -6.8262 2.9465 2.9466 4.7059 4.7061 7.0696 7.0719 7.1595 7.1619 7.7950 7.7979 7.8393 7.8416 15.1087 15.1091 16.8277 16.8289 17.3704 17.3718 17.3993 17.4006 k = 0.5225 0.1080 0.0182 ( 2336 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6763 -7.6763 -6.8338 -6.8338 2.9373 2.9373 4.7120 4.7121 7.1245 7.1266 7.1888 7.1909 7.8099 7.8124 7.8437 7.8457 15.0896 15.0899 16.8511 16.8522 17.3490 17.3504 17.3664 17.3677 k = 0.5180 0.1151 0.0321 ( 2324 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6837 -7.6837 -6.8400 -6.8400 2.9298 2.9298 4.7168 4.7170 7.1707 7.1725 7.2135 7.2152 7.8222 7.8242 7.8466 7.8483 15.0728 15.0731 16.8717 16.8727 17.3297 17.3313 17.3391 17.3405 k = 0.5135 0.1223 0.0460 ( 2326 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6894 -7.6894 -6.8448 -6.8448 2.9238 2.9239 4.7205 4.7206 7.2073 7.2086 7.2335 7.2348 7.8315 7.8329 7.8487 7.8498 15.0591 15.0593 16.8889 16.8897 17.3134 17.3149 17.3178 17.3193 k = 0.5090 0.1295 0.0598 ( 2330 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6935 -7.6935 -6.8482 -6.8482 2.9196 2.9196 4.7231 4.7231 7.2333 7.2340 7.2490 7.2496 7.8376 7.8383 7.8506 7.8511 15.0489 15.0490 16.9020 16.9025 17.3007 17.3015 17.3033 17.3041 k = 0.5045 0.1366 0.0737 ( 2334 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6960 -7.6960 -6.8503 -6.8503 2.9171 2.9171 4.7246 4.7247 7.2478 7.2481 7.2598 7.2599 7.8405 7.8407 7.8523 7.8524 15.0426 15.0427 16.9102 16.9105 17.2926 17.2927 17.2951 17.2952 k = 0.5000 0.1438 0.0876 ( 2340 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6968 -7.6968 -6.8510 -6.8510 2.9162 2.9162 4.7251 4.7251 7.2522 7.2522 7.2639 7.2639 7.8413 7.8413 7.8530 7.8530 15.0405 15.0405 16.9131 16.9131 17.2898 17.2898 17.2922 17.2922 k = 0.5000 0.1438 0.0876 ( 2340 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6968 -7.6968 -6.8510 -6.8510 2.9162 2.9162 4.7251 4.7251 7.2522 7.2522 7.2639 7.2639 7.8413 7.8413 7.8530 7.8530 15.0405 15.0405 16.9131 16.9131 17.2898 17.2898 17.2922 17.2922 k = 0.4848 0.1394 0.0849 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6987 -7.6987 -6.8483 -6.8483 2.9049 2.9049 4.7379 4.7379 7.2514 7.2514 7.2631 7.2631 7.8424 7.8424 7.8540 7.8540 15.0393 15.0393 16.9098 16.9098 17.2877 17.2877 17.2902 17.2902 k = 0.4697 0.1351 0.0823 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7044 -7.7044 -6.8405 -6.8405 2.8717 2.8717 4.7752 4.7752 7.2491 7.2491 7.2608 7.2608 7.8454 7.8454 7.8571 7.8571 15.0358 15.0358 16.9000 16.9000 17.2815 17.2815 17.2840 17.2840 k = 0.4545 0.1307 0.0796 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7135 -7.7135 -6.8276 -6.8276 2.8193 2.8193 4.8344 4.8344 7.2453 7.2453 7.2570 7.2570 7.8505 7.8505 7.8622 7.8622 15.0298 15.0298 16.8838 16.8838 17.2714 17.2714 17.2738 17.2738 k = 0.4394 0.1264 0.0770 ( 2331 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7258 -7.7258 -6.8102 -6.8102 2.7512 2.7512 4.9121 4.9121 7.2402 7.2402 7.2518 7.2518 7.8574 7.8574 7.8691 7.8691 15.0215 15.0215 16.8618 16.8618 17.2574 17.2574 17.2599 17.2599 k = 0.4242 0.1220 0.0743 ( 2343 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7408 -7.7408 -6.7886 -6.7886 2.6708 2.6708 5.0047 5.0047 7.2338 7.2338 7.2454 7.2454 7.8660 7.8660 7.8778 7.8778 15.0107 15.0107 16.8344 16.8344 17.2398 17.2398 17.2422 17.2422 k = 0.4091 0.1176 0.0717 ( 2343 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7580 -7.7580 -6.7635 -6.7635 2.5814 2.5814 5.1090 5.1090 7.2263 7.2263 7.2379 7.2379 7.8762 7.8762 7.8880 7.8880 14.9973 14.9973 16.8022 16.8022 17.2188 17.2188 17.2212 17.2212 k = 0.3939 0.1133 0.0690 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7770 -7.7770 -6.7352 -6.7352 2.4855 2.4855 5.2223 5.2223 7.2179 7.2179 7.2295 7.2295 7.8878 7.8878 7.8996 7.8996 14.9815 14.9815 16.7659 16.7659 17.1948 17.1948 17.1972 17.1972 k = 0.3788 0.1089 0.0664 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.7973 -7.7973 -6.7043 -6.7043 2.3854 2.3854 5.3423 5.3423 7.2088 7.2088 7.2203 7.2203 7.9005 7.9005 7.9123 7.9123 14.9630 14.9630 16.7261 16.7261 17.1680 17.1680 17.1703 17.1703 k = 0.3636 0.1046 0.0637 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.8186 -7.8186 -6.6713 -6.6713 2.2826 2.2826 5.4675 5.4675 7.1990 7.1990 7.2106 7.2106 7.9142 7.9142 7.9260 7.9260 14.9419 14.9419 16.6834 16.6834 17.1388 17.1388 17.1411 17.1411 k = 0.3485 0.1002 0.0611 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.8406 -7.8406 -6.6366 -6.6366 2.1785 2.1785 5.5962 5.5962 7.1888 7.1888 7.2004 7.2004 7.9287 7.9287 7.9406 7.9406 14.9180 14.9180 16.6386 16.6386 17.1075 17.1075 17.1098 17.1098 k = 0.3333 0.0959 0.0584 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.8628 -7.8628 -6.6005 -6.6005 2.0741 2.0741 5.7274 5.7274 7.1783 7.1783 7.1898 7.1898 7.9438 7.9438 7.9557 7.9557 14.8914 14.8914 16.5922 16.5922 17.0746 17.0746 17.0768 17.0768 k = 0.3182 0.0915 0.0557 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.8851 -7.8851 -6.5635 -6.5635 1.9704 1.9704 5.8601 5.8601 7.1676 7.1676 7.1791 7.1791 7.9594 7.9594 7.9713 7.9713 14.8620 14.8620 16.5448 16.5448 17.0404 17.0404 17.0426 17.0426 k = 0.3030 0.0871 0.0531 ( 2359 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.9073 -7.9073 -6.5258 -6.5258 1.8680 1.8680 5.9935 5.9935 7.1569 7.1569 7.1684 7.1684 7.9752 7.9752 7.9872 7.9872 14.8297 14.8297 16.4971 16.4971 17.0052 17.0052 17.0074 17.0074 k = 0.2879 0.0828 0.0504 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.9291 -7.9291 -6.4877 -6.4877 1.7675 1.7675 6.1267 6.1267 7.1463 7.1463 7.1577 7.1577 7.9912 7.9912 8.0032 8.0032 14.7947 14.7947 16.4497 16.4497 16.9694 16.9694 16.9716 16.9716 k = 0.2727 0.0784 0.0478 ( 2347 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.9504 -7.9504 -6.4496 -6.4496 1.6693 1.6693 6.2590 6.2590 7.1357 7.1357 7.1471 7.1471 8.0072 8.0072 8.0193 8.0193 14.7570 14.7570 16.4029 16.4029 16.9334 16.9334 16.9355 16.9355 k = 0.2576 0.0741 0.0451 ( 2353 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.9710 -7.9710 -6.4118 -6.4118 1.5741 1.5741 6.3899 6.3899 7.1253 7.1253 7.1367 7.1367 8.0231 8.0231 8.0352 8.0352 14.7167 14.7167 16.3573 16.3573 16.8975 16.8975 16.8996 16.8996 k = 0.2424 0.0697 0.0425 ( 2353 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.9909 -7.9909 -6.3744 -6.3744 1.4821 1.4821 6.5186 6.5186 7.1153 7.1153 7.1266 7.1266 8.0388 8.0388 8.0509 8.0509 14.6741 14.6741 16.3134 16.3134 16.8620 16.8620 16.8640 16.8640 k = 0.2273 0.0654 0.0398 ( 2353 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0100 -8.0100 -6.3377 -6.3377 1.3938 1.3938 6.6446 6.6446 7.1056 7.1056 7.1169 7.1169 8.0541 8.0541 8.0662 8.0662 14.6294 14.6294 16.2713 16.2713 16.8272 16.8272 16.8292 16.8292 k = 0.2121 0.0610 0.0372 ( 2356 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0281 -8.0281 -6.3020 -6.3020 1.3095 1.3095 6.7670 6.7670 7.0963 7.0963 7.1076 7.1076 8.0688 8.0688 8.0811 8.0811 14.5831 14.5831 16.2316 16.2316 16.7933 16.7933 16.7953 16.7953 k = 0.1970 0.0566 0.0345 ( 2356 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0453 -8.0453 -6.2675 -6.2675 1.2294 1.2294 6.8854 6.8854 7.0875 7.0875 7.0988 7.0988 8.0831 8.0831 8.0953 8.0953 14.5355 14.5355 16.1943 16.1943 16.7607 16.7607 16.7626 16.7626 k = 0.1818 0.0523 0.0319 ( 2359 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0613 -8.0613 -6.2345 -6.2345 1.1540 1.1540 6.9990 6.9990 7.0792 7.0792 7.0904 7.0904 8.0967 8.0967 8.1089 8.1089 14.4872 14.4872 16.1597 16.1597 16.7295 16.7295 16.7314 16.7314 k = 0.1667 0.0479 0.0292 ( 2359 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0762 -8.0762 -6.2031 -6.2031 1.0834 1.0834 7.0711 7.0711 7.0826 7.0826 7.1075 7.1075 8.1095 8.1095 8.1218 8.1218 14.4388 14.4388 16.1278 16.1278 16.7000 16.7000 16.7019 16.7019 k = 0.1515 0.0436 0.0265 ( 2359 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.0900 -8.0900 -6.1736 -6.1736 1.0180 1.0180 7.0640 7.0640 7.0754 7.0754 7.2094 7.2094 8.1215 8.1215 8.1338 8.1338 14.3910 14.3910 16.0988 16.0988 16.6724 16.6724 16.6743 16.6743 k = 0.1364 0.0392 0.0239 ( 2356 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1026 -8.1026 -6.1462 -6.1462 0.9580 0.9580 7.0575 7.0575 7.0688 7.0688 7.3046 7.3046 8.1326 8.1326 8.1450 8.1450 14.3445 14.3445 16.0728 16.0728 16.6469 16.6469 16.6487 16.6487 k = 0.1212 0.0349 0.0212 ( 2350 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1139 -8.1139 -6.1211 -6.1211 0.9037 0.9037 7.0515 7.0515 7.0628 7.0628 7.3923 7.3923 8.1428 8.1428 8.1551 8.1551 14.3002 14.3002 16.0496 16.0496 16.6237 16.6237 16.6255 16.6255 k = 0.1061 0.0305 0.0186 ( 2338 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1240 -8.1240 -6.0984 -6.0984 0.8552 0.8552 7.0462 7.0462 7.0575 7.0575 7.4717 7.4717 8.1519 8.1519 8.1642 8.1642 14.2586 14.2586 16.0292 16.0292 16.6028 16.6028 16.6046 16.6046 k = 0.0909 0.0261 0.0159 ( 2332 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1327 -8.1327 -6.0784 -6.0784 0.8127 0.8127 7.0416 7.0416 7.0529 7.0529 7.5423 7.5423 8.1598 8.1598 8.1722 8.1722 14.2208 14.2208 16.0117 16.0117 16.5844 16.5844 16.5862 16.5862 k = 0.0758 0.0218 0.0133 ( 2332 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1402 -8.1402 -6.0612 -6.0612 0.7764 0.7764 7.0376 7.0376 7.0489 7.0489 7.6032 7.6032 8.1667 8.1667 8.1790 8.1790 14.1872 14.1872 15.9970 15.9970 16.5687 16.5687 16.5704 16.5704 k = 0.0606 0.0174 0.0106 ( 2329 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1463 -8.1463 -6.0469 -6.0469 0.7465 0.7465 7.0344 7.0344 7.0456 7.0456 7.6539 7.6539 8.1724 8.1724 8.1847 8.1847 14.1588 14.1588 15.9851 15.9851 16.5557 16.5557 16.5574 16.5574 k = 0.0455 0.0131 0.0080 ( 2329 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1510 -8.1510 -6.0357 -6.0357 0.7231 0.7231 7.0318 7.0318 7.0431 7.0431 7.6939 7.6939 8.1768 8.1768 8.1892 8.1892 14.1360 14.1360 15.9758 15.9758 16.5455 16.5455 16.5472 16.5472 k = 0.0303 0.0087 0.0053 ( 2329 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1545 -8.1545 -6.0276 -6.0276 0.7064 0.7064 7.0300 7.0300 7.0413 7.0413 7.7229 7.7229 8.1800 8.1800 8.1924 8.1924 14.1193 14.1193 15.9693 15.9693 16.5382 16.5382 16.5399 16.5399 k = 0.0152 0.0044 0.0027 ( 2323 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1565 -8.1565 -6.0227 -6.0227 0.6963 0.6963 7.0289 7.0289 7.0402 7.0402 7.7404 7.7404 8.1819 8.1819 8.1943 8.1943 14.1092 14.1092 15.9653 15.9653 16.5338 16.5338 16.5355 16.5355 k = 0.0000 0.0000 0.0000 ( 2323 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1572 -8.1572 -6.0211 -6.0211 0.6929 0.6929 7.0286 7.0286 7.0398 7.0398 7.7462 7.7462 8.1826 8.1826 8.1949 8.1949 14.1058 14.1058 15.9640 15.9640 16.5323 16.5323 16.5340 16.5340 k = 0.0000 0.0000 0.0000 ( 2323 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1572 -8.1572 -6.0211 -6.0211 0.6929 0.6929 7.0286 7.0286 7.0398 7.0398 7.7462 7.7462 8.1826 8.1826 8.1949 8.1949 14.1058 14.1058 15.9640 15.9640 16.5323 16.5323 16.5340 16.5340 k = 0.0045-0.0072-0.0139 ( 2325 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1563 -8.1563 -6.0205 -6.0205 0.6939 0.6939 7.0252 7.0254 7.0369 7.0369 7.7459 7.7463 8.1792 8.1794 8.1920 8.1921 14.1086 14.1087 15.9668 15.9669 16.5315 16.5316 16.5362 16.5362 k = 0.0090-0.0144-0.0279 ( 2331 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1538 -8.1538 -6.0188 -6.0188 0.6970 0.6970 7.0135 7.0138 7.0299 7.0300 7.7452 7.7460 8.1671 8.1677 8.1854 8.1855 14.1172 14.1173 15.9751 15.9753 16.5272 16.5273 16.5447 16.5448 k = 0.0135-0.0216-0.0418 ( 2333 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1495 -8.1495 -6.0160 -6.0160 0.7022 0.7022 6.9920 6.9925 7.0207 7.0208 7.7441 7.7453 8.1447 8.1456 8.1770 8.1773 14.1314 14.1315 15.9887 15.9890 16.5200 16.5201 16.5592 16.5593 k = 0.0180-0.0288-0.0557 ( 2333 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1435 -8.1435 -6.0121 -6.0121 0.7094 0.7094 6.9613 6.9619 7.0089 7.0090 7.7423 7.7440 8.1127 8.1139 8.1666 8.1670 14.1510 14.1510 16.0071 16.0076 16.5100 16.5102 16.5798 16.5799 k = 0.0226-0.0360-0.0697 ( 2337 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1358 -8.1358 -6.0071 -6.0071 0.7187 0.7187 6.9220 6.9227 6.9941 6.9942 7.7395 7.7417 8.0719 8.0735 8.1539 8.1543 14.1756 14.1756 16.0298 16.0304 16.4975 16.4977 16.6067 16.6068 k = 0.0271-0.0432-0.0836 ( 2335 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1263 -8.1263 -6.0009 -6.0009 0.7300 0.7300 6.8748 6.8755 6.9761 6.9762 7.7352 7.7381 8.0231 8.0253 8.1388 8.1393 14.2049 14.2050 16.0561 16.0567 16.4827 16.4829 16.6401 16.6403 k = 0.0316-0.0504-0.0976 ( 2335 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1152 -8.1152 -5.9937 -5.9937 0.7434 0.7434 6.8200 6.8208 6.9550 6.9551 7.7288 7.7326 7.9670 7.9700 8.1215 8.1221 14.2386 14.2387 16.0851 16.0859 16.4660 16.4663 16.6802 16.6804 k = 0.0361-0.0575-0.1115 ( 2333 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -8.1024 -8.1024 -5.9854 -5.9854 0.7589 0.7589 6.7581 6.7590 6.9306 6.9307 7.7190 7.7243 7.9048 7.9092 8.1023 8.1030 14.2762 14.2763 16.1160 16.1168 16.4478 16.4481 16.7270 16.7272 k = 0.0406-0.0647-0.1254 ( 2335 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -8.0879 -8.0879 -5.9760 -5.9760 0.7764 0.7764 6.6896 6.6905 6.9030 6.9031 7.7035 7.7110 7.8390 7.8457 8.0814 8.0823 14.3173 14.3174 16.1475 16.1484 16.4289 16.4293 16.7805 16.7808 k = 0.0451-0.0719-0.1394 ( 2343 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -8.0717 -8.0717 -5.9656 -5.9656 0.7959 0.7959 6.6149 6.6158 6.8721 6.8722 7.6757 7.6863 7.7760 7.7858 8.0595 8.0604 14.3615 14.3616 16.1782 16.1792 16.4105 16.4111 16.8405 16.8408 k = 0.0496-0.0791-0.1533 ( 2335 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -8.0539 -8.0539 -5.9541 -5.9541 0.8175 0.8175 6.5344 6.5354 6.8380 6.8381 7.6253 7.6359 7.7305 7.7402 8.0368 8.0380 14.4086 14.4087 16.2054 16.2065 16.3953 16.3960 16.9064 16.9068 k = 0.0541-0.0863-0.1672 ( 2339 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -8.0344 -8.0344 -5.9416 -5.9416 0.8410 0.8410 6.4486 6.4496 6.8006 6.8006 7.5529 7.5607 7.7015 7.7084 8.0142 8.0154 14.4580 14.4581 16.2246 16.2257 16.3876 16.3886 16.9776 16.9780 k = 0.0586-0.0935-0.1812 ( 2337 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -8.0132 -8.0132 -5.9282 -5.9282 0.8666 0.8666 6.3580 6.3589 6.7598 6.7599 7.4682 7.4740 7.6758 7.6807 7.9920 7.9934 14.5095 14.5097 16.2301 16.2311 16.3935 16.3946 17.0533 17.0538 k = 0.0631-0.1007-0.1951 ( 2347 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.9904 -7.9904 -5.9137 -5.9137 0.8942 0.8942 6.2627 6.2637 6.7156 6.7158 7.3767 7.3812 7.6482 7.6519 7.9708 7.9723 14.5629 14.5630 16.2207 16.2216 16.4142 16.4152 17.1324 17.1330 k = 0.0677-0.1079-0.2091 ( 2341 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.9660 -7.9660 -5.8984 -5.8984 0.9238 0.9238 6.1635 6.1644 6.6681 6.6683 7.2808 7.2845 7.6169 7.6198 7.9511 7.9526 14.6178 14.6180 16.2010 16.2017 16.4453 16.4463 17.2140 17.2146 k = 0.0722-0.1151-0.2230 ( 2341 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.9400 -7.9400 -5.8821 -5.8821 0.9554 0.9554 6.0606 6.0614 6.6171 6.6174 7.1819 7.1850 7.5813 7.5837 7.9328 7.9343 14.6742 14.6744 16.1755 16.1760 16.4827 16.4837 17.2967 17.2975 k = 0.0767-0.1223-0.2369 ( 2339 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.9123 -7.9123 -5.8649 -5.8649 0.9889 0.9889 5.9543 5.9552 6.5626 6.5630 7.0807 7.0834 7.5413 7.5433 7.9160 7.9176 14.7318 14.7320 16.1466 16.1470 16.5240 16.5250 17.3794 17.3802 k = 0.0812-0.1295-0.2509 ( 2337 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3204 -89.3204 -7.8831 -7.8831 -5.8469 -5.8469 1.0244 1.0244 5.8452 5.8460 6.5044 6.5050 6.9781 6.9805 7.4972 7.4989 7.9006 7.9021 14.7904 14.7906 16.1156 16.1160 16.5683 16.5692 17.4609 17.4618 k = 0.0857-0.1367-0.2648 ( 2341 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.8524 -7.8524 -5.8281 -5.8281 1.0618 1.0618 5.7335 5.7343 6.4425 6.4432 6.8748 6.8768 7.4492 7.4506 7.8862 7.8877 14.8500 14.8502 16.0833 16.0836 16.6149 16.6158 17.5399 17.5408 k = 0.0902-0.1439-0.2787 ( 2341 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.8201 -7.8201 -5.8085 -5.8085 1.1011 1.1012 5.6196 5.6204 6.3765 6.3774 6.7714 6.7731 7.3977 7.3989 7.8725 7.8740 14.9104 14.9107 16.0501 16.0504 16.6637 16.6646 17.6152 17.6162 k = 0.0947-0.1511-0.2927 ( 2339 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.7862 -7.7862 -5.7882 -5.7882 1.1424 1.1425 5.5038 5.5046 6.3063 6.3075 6.6686 6.6701 7.3430 7.3440 7.8593 7.8607 14.9715 14.9718 16.0162 16.0165 16.7146 16.7155 17.6858 17.6868 k = 0.0992-0.1583-0.3066 ( 2339 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.7509 -7.7509 -5.7672 -5.7672 1.1855 1.1856 5.3865 5.3872 6.2317 6.2332 6.5670 6.5684 7.2854 7.2863 7.8463 7.8477 15.0333 15.0336 15.9820 15.9823 16.7675 16.7684 17.7505 17.7515 k = 0.1037-0.1654-0.3205 ( 2337 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.7142 -7.7141 -5.7455 -5.7455 1.2306 1.2306 5.2679 5.2686 6.1525 6.1543 6.4673 6.4686 7.2254 7.2261 7.8333 7.8346 15.0956 15.0959 15.9476 15.9479 16.8223 16.8232 17.8085 17.8096 k = 0.1082-0.1726-0.3345 ( 2341 PWs) bands (ev): -90.7419 -90.7419 -90.5592 -90.5592 -89.3203 -89.3203 -7.6759 -7.6759 -5.7233 -5.7232 1.2774 1.2775 5.1484 5.1491 6.0687 6.0708 6.3697 6.3711 7.1630 7.1636 7.8201 7.8214 15.1582 15.1585 15.9132 15.9135 16.8791 16.8800 17.8591 17.8601 k = 0.1128-0.1798-0.3484 ( 2345 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.6363 -7.6363 -5.7005 -5.7004 1.3261 1.3262 5.0282 5.0288 5.9804 5.9828 6.2746 6.2761 7.0987 7.0992 7.8065 7.8077 15.2210 15.2214 15.8790 15.8793 16.9379 16.9388 17.9016 17.9026 k = 0.1173-0.1870-0.3624 ( 2337 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.5953 -7.5953 -5.6771 -5.6771 1.3766 1.3767 4.9076 4.9082 5.8881 5.8907 6.1818 6.1835 7.0326 7.0329 7.7924 7.7936 15.2837 15.2842 15.8454 15.8456 16.9985 16.9994 17.9356 17.9367 k = 0.1218-0.1942-0.3763 ( 2339 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.5529 -7.5529 -5.6534 -5.6534 1.4288 1.4289 4.7869 4.7875 5.7924 5.7953 6.0912 6.0929 6.9648 6.9651 7.7776 7.7788 15.3458 15.3463 15.8127 15.8130 17.0609 17.0618 17.9609 17.9620 k = 0.1263-0.2014-0.3902 ( 2339 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.5092 -7.5092 -5.6293 -5.6293 1.4828 1.4829 4.6662 4.6668 5.6942 5.6972 6.0022 6.0040 6.8956 6.8959 7.7622 7.7633 15.4062 15.4068 15.7821 15.7825 17.1252 17.1261 17.9774 17.9786 k = 0.1308-0.2086-0.4042 ( 2341 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.4642 -7.4642 -5.6049 -5.6048 1.5385 1.5387 4.5459 4.5464 5.5942 5.5974 5.9144 5.9163 6.8252 6.8255 7.7459 7.7470 15.4626 15.4634 15.7558 15.7563 17.1911 17.1920 17.9853 17.9865 k = 0.1353-0.2158-0.4181 ( 2339 PWs) bands (ev): -90.7417 -90.7417 -90.5592 -90.5592 -89.3202 -89.3202 -7.4180 -7.4180 -5.5802 -5.5801 1.5959 1.5961 4.4260 4.4266 5.4932 5.4964 5.8273 5.8293 6.7536 6.7540 7.7287 7.7298 15.5098 15.5109 15.7388 15.7396 17.2585 17.2594 17.9848 17.9861 k = 0.1398-0.2230-0.4320 ( 2335 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.3706 -7.3706 -5.5553 -5.5553 1.6550 1.6551 4.3070 4.3075 5.3917 5.3950 5.7407 5.7427 6.6811 6.6816 7.7106 7.7117 15.5380 15.5392 15.7413 15.7422 17.3271 17.3280 17.9766 17.9779 k = 0.1443-0.2302-0.4460 ( 2337 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.3220 -7.3220 -5.5303 -5.5302 1.7156 1.7158 4.1888 4.1893 5.2903 5.2938 5.6543 5.6564 6.6078 6.6083 7.6914 7.6925 15.5397 15.5409 15.7706 15.7715 17.3965 17.3973 17.9615 17.9630 k = 0.1488-0.2374-0.4599 ( 2337 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.2723 -7.2723 -5.5052 -5.5052 1.7778 1.7780 4.0718 4.0723 5.1895 5.1930 5.5680 5.5701 6.5338 6.5344 7.6712 7.6723 15.5217 15.5228 15.8199 15.8206 17.4657 17.4665 17.9411 17.9426 k = 0.1534-0.2446-0.4738 ( 2339 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -7.2216 -7.2216 -5.4801 -5.4801 1.8415 1.8417 3.9561 3.9566 5.0896 5.0932 5.4817 5.4838 6.4592 6.4599 7.6499 7.6509 15.4936 15.4946 15.8793 15.8799 17.5328 17.5335 17.9177 17.9194 k = 0.1579-0.2518-0.4878 ( 2333 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -7.1699 -7.1699 -5.4552 -5.4552 1.9066 1.9068 3.8420 3.8425 4.9909 4.9946 5.3954 5.3975 6.3842 6.3850 7.6274 7.6284 15.4604 15.4614 15.9437 15.9442 17.5933 17.5939 17.8965 17.8984 k = 0.1624-0.2590-0.5017 ( 2327 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -7.1172 -7.1172 -5.4304 -5.4304 1.9731 1.9734 3.7295 3.7300 4.8936 4.8974 5.3091 5.3113 6.3088 6.3097 7.6037 7.6048 15.4244 15.4253 16.0108 16.0113 17.6369 17.6375 17.8882 17.8904 k = 0.1669-0.2661-0.5157 ( 2329 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -7.0636 -7.0636 -5.4059 -5.4059 2.0409 2.0412 3.6189 3.6194 4.7980 4.8018 5.2230 5.2252 6.2332 6.2342 7.5789 7.5800 15.3865 15.3874 16.0795 16.0799 17.6488 17.6492 17.9085 17.9107 k = 0.1714-0.2733-0.5296 ( 2327 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -7.0092 -7.0092 -5.3817 -5.3817 2.1099 2.1103 3.5103 3.5109 4.7042 4.7081 5.1370 5.1393 6.1575 6.1586 7.5529 7.5539 15.3472 15.3481 16.1492 16.1496 17.6275 17.6277 17.9592 17.9613 k = 0.1759-0.2805-0.5435 ( 2329 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.9540 -6.9540 -5.3579 -5.3579 2.1800 2.1804 3.4041 3.4047 4.6123 4.6163 5.0515 5.0538 6.0818 6.0829 7.5257 7.5267 15.3067 15.3076 16.2196 16.2200 17.5857 17.5858 18.0281 18.0299 k = 0.1804-0.2877-0.5575 ( 2325 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.8982 -6.8982 -5.3346 -5.3346 2.2509 2.2515 3.3004 3.3011 4.5224 4.5265 4.9664 4.9688 6.0062 6.0074 7.4972 7.4983 15.2652 15.2662 16.2904 16.2908 17.5326 17.5329 18.1061 18.1078 k = 0.1849-0.2949-0.5714 ( 2325 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.8417 -6.8417 -5.3119 -5.3118 2.3225 2.3232 3.1995 3.2003 4.4346 4.4388 4.8822 4.8845 5.9308 5.9321 7.4676 7.4687 15.2228 15.2238 16.3612 16.3616 17.4728 17.4733 18.1892 18.1909 k = 0.1894-0.3021-0.5853 ( 2329 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.7848 -6.7847 -5.2898 -5.2898 2.3942 2.3951 3.1020 3.1030 4.3488 4.3532 4.7988 4.8012 5.8557 5.8570 7.4368 7.4379 15.1795 15.1805 16.4319 16.4322 17.4087 17.4092 18.2757 18.2773 k = 0.1939-0.3093-0.5993 ( 2335 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.7273 -6.7273 -5.2685 -5.2684 2.4651 2.4663 3.0087 3.0100 4.2652 4.2696 4.7167 4.7192 5.7809 5.7824 7.4048 7.4059 15.1354 15.1364 16.5019 16.5022 17.3416 17.3421 18.3645 18.3661 k = 0.1985-0.3165-0.6132 ( 2337 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.6695 -6.6695 -5.2479 -5.2479 2.5330 2.5347 2.9219 2.9236 4.1836 4.1881 4.6362 4.6387 5.7067 5.7083 7.3717 7.3728 15.0905 15.0915 16.5707 16.5710 17.2727 17.2733 18.4551 18.4567 k = 0.2030-0.3237-0.6272 ( 2337 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.6115 -6.6115 -5.2283 -5.2283 2.5910 2.5936 2.8483 2.8508 4.1039 4.1086 4.5575 4.5601 5.6332 5.6348 7.3376 7.3387 15.0448 15.0459 16.6372 16.6376 17.2034 17.2041 18.5471 18.5486 k = 0.2075-0.3309-0.6411 ( 2337 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.5533 -6.5533 -5.2097 -5.2096 2.6159 2.6194 2.8113 2.8146 4.0260 4.0308 4.4811 4.4837 5.5603 5.5620 7.3023 7.3034 14.9985 14.9996 16.6994 16.6998 17.1362 17.1369 18.6402 18.6417 k = 0.2120-0.3381-0.6550 ( 2333 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.4950 -6.4950 -5.1920 -5.1920 2.5831 2.5858 2.8372 2.8397 3.9499 3.9548 4.4074 4.4101 5.4884 5.4901 7.2661 7.2672 14.9514 14.9526 16.7521 16.7525 17.0763 17.0770 18.7341 18.7356 k = 0.2165-0.3453-0.6690 ( 2333 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.4368 -6.4368 -5.1755 -5.1755 2.5197 2.5216 2.8970 2.8986 3.8754 3.8804 4.3369 4.3396 5.4174 5.4193 7.2289 7.2300 14.9038 14.9050 16.7827 16.7832 17.0364 17.0371 18.8284 18.8298 k = 0.2210-0.3525-0.6829 ( 2331 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.3787 -6.3787 -5.1602 -5.1602 2.4491 2.4505 2.9666 2.9677 3.8025 3.8075 4.2699 4.2727 5.3476 5.3495 7.1908 7.1920 14.8556 14.8568 16.7727 16.7734 17.0352 17.0358 18.9224 18.9235 k = 0.2255-0.3597-0.6968 ( 2341 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.3209 -6.3209 -5.1461 -5.1461 2.3782 2.3794 3.0388 3.0395 3.7313 3.7364 4.2071 4.2098 5.2790 5.2811 7.1520 7.1531 14.8068 14.8081 16.7255 16.7263 17.0692 17.0698 18.9903 18.9907 k = 0.2300-0.3669-0.7108 ( 2345 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.2635 -6.2635 -5.1333 -5.1333 2.3093 2.3104 3.1103 3.1107 3.6625 3.6677 4.1488 4.1516 5.2120 5.2142 7.1123 7.1135 14.7576 14.7589 16.6601 16.6609 17.1196 17.1202 19.0019 19.0022 k = 0.2345-0.3740-0.7247 ( 2343 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -6.2066 -6.2066 -5.1218 -5.1218 2.2434 2.2443 3.1778 3.1781 3.5982 3.6034 4.0956 4.0984 5.1467 5.1489 7.0721 7.0733 14.7079 14.7092 16.5872 16.5880 17.1755 17.1762 19.0136 19.0142 k = 0.2390-0.3812-0.7386 ( 2343 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -6.1503 -6.1503 -5.1118 -5.1117 2.1808 2.1817 3.2347 3.2355 3.5435 3.5488 4.0478 4.0507 5.0833 5.0857 7.0313 7.0325 14.6578 14.6591 16.5111 16.5120 17.2326 17.2333 19.0283 19.0291 k = 0.2436-0.3884-0.7526 ( 2341 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -6.0948 -6.0948 -5.1031 -5.1030 2.1219 2.1228 3.2665 3.2682 3.5125 3.5177 4.0060 4.0090 5.0223 5.0247 6.9900 6.9912 14.6072 14.6086 16.4338 16.4346 17.2889 17.2897 19.0462 19.0472 k = 0.2481-0.3956-0.7665 ( 2337 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -6.0403 -6.0403 -5.0958 -5.0957 2.0670 2.0679 3.2557 3.2582 3.5217 3.5264 3.9707 3.9739 4.9638 4.9664 6.9483 6.9496 14.5563 14.5577 16.3562 16.3571 17.3433 17.3442 19.0676 19.0689 k = 0.2526-0.4028-0.7805 ( 2339 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.9868 -5.9868 -5.0899 -5.0899 2.0161 2.0170 3.2102 3.2132 3.5617 3.5659 3.9429 3.9466 4.9086 4.9113 6.9065 6.9077 14.5050 14.5064 16.2790 16.2799 17.3950 17.3960 19.0929 19.0943 k = 0.2571-0.4100-0.7944 ( 2343 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.9346 -5.9345 -5.0855 -5.0855 1.9696 1.9705 3.1490 3.1521 3.6109 3.6151 3.9244 3.9287 4.8570 4.8599 6.8644 6.8657 14.4532 14.4547 16.2028 16.2037 17.4435 17.4446 19.1220 19.1237 k = 0.2616-0.4172-0.8083 ( 2349 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8836 -5.8836 -5.0826 -5.0825 1.9274 1.9283 3.0813 3.0845 3.6561 3.6605 3.9184 3.9233 4.8100 4.8130 6.8225 6.8238 14.4010 14.4025 16.1279 16.1288 17.4884 17.4895 19.1551 19.1570 k = 0.2661-0.4244-0.8223 ( 2349 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8342 -5.8342 -5.0810 -5.0809 1.8898 1.8907 3.0107 3.0139 3.6893 3.6939 3.9284 3.9338 4.7686 4.7717 6.7807 6.7820 14.3484 14.3499 16.0547 16.0556 17.5292 17.5304 19.1922 19.1944 k = 0.2706-0.4316-0.8362 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7865 -5.7865 -5.0807 -5.0807 1.8567 1.8576 2.9388 2.9420 3.7074 3.7117 3.9550 3.9604 4.7339 4.7372 6.7392 6.7405 14.2952 14.2967 15.9836 15.9845 17.5657 17.5670 19.2334 19.2358 k = 0.2751-0.4388-0.8501 ( 2351 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3198 -89.3198 -5.7406 -5.7406 -5.0818 -5.0817 1.8282 1.8292 2.8666 2.8697 3.7132 3.7171 3.9924 3.9976 4.7075 4.7109 6.6982 6.6996 14.2414 14.2429 15.9150 15.9159 17.5975 17.5989 19.2784 19.2810 k = 0.2796-0.4460-0.8641 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.6967 -5.6967 -5.0841 -5.0840 1.8044 1.8055 2.7945 2.7976 3.7116 3.7151 4.0334 4.0384 4.6912 4.6946 6.6579 6.6594 14.1869 14.1885 15.8491 15.8500 17.6247 17.6262 19.3271 19.3300 k = 0.2841-0.4532-0.8780 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.6549 -5.6549 -5.0875 -5.0874 1.7852 1.7864 2.7230 2.7261 3.7057 3.7090 4.0726 4.0775 4.6864 4.6898 6.6186 6.6200 14.1317 14.1333 15.7863 15.7872 17.6470 17.6486 19.3794 19.3825 k = 0.2887-0.4604-0.8919 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.6155 -5.6155 -5.0918 -5.0918 1.7707 1.7719 2.6524 2.6555 3.6967 3.6998 4.1075 4.1123 4.6940 4.6974 6.5804 6.5819 14.0756 14.0772 15.7269 15.7279 17.6646 17.6662 19.4349 19.4382 k = 0.2932-0.4676-0.9059 ( 2359 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5786 -5.5786 -5.0971 -5.0970 1.7606 1.7619 2.5831 2.5862 3.6850 3.6880 4.1375 4.1422 4.7139 4.7170 6.5436 6.5452 14.0185 14.0202 15.6712 15.6722 17.6774 17.6790 19.4932 19.4967 k = 0.2977-0.4748-0.9198 ( 2351 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5445 -5.5445 -5.1029 -5.1029 1.7547 1.7561 2.5156 2.5188 3.6704 3.6733 4.1638 4.1683 4.7445 4.7473 6.5086 6.5102 13.9604 13.9621 15.6196 15.6206 17.6855 17.6871 19.5539 19.5576 k = 0.3022-0.4819-0.9338 ( 2349 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5133 -5.5133 -5.1092 -5.1092 1.7527 1.7543 2.4503 2.4536 3.6525 3.6553 4.1886 4.1928 4.7834 4.7859 6.4757 6.4773 13.9012 13.9028 15.5722 15.5732 17.6891 17.6908 19.6166 19.6204 k = 0.3067-0.4891-0.9477 ( 2345 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4854 -5.4854 -5.1157 -5.1156 1.7539 1.7557 2.3880 2.3914 3.6314 3.6340 4.2139 4.2179 4.8280 4.8302 6.4453 6.4469 13.8408 13.8424 15.5294 15.5304 17.6884 17.6901 19.6806 19.6846 k = 0.3112-0.4963-0.9616 ( 2349 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4611 -5.4611 -5.1219 -5.1218 1.7575 1.7595 2.3296 2.3332 3.6070 3.6094 4.2416 4.2453 4.8758 4.8776 6.4178 6.4195 13.7790 13.7806 15.4914 15.4923 17.6836 17.6853 19.7453 19.7496 k = 0.3157-0.5035-0.9756 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4407 -5.4407 -5.1276 -5.1275 1.7621 1.7642 2.2767 2.2805 3.5797 3.5818 4.2729 4.2761 4.9247 4.9261 6.3937 6.3954 13.7159 13.7176 15.4583 15.4592 17.6750 17.6767 19.8101 19.8145 k = 0.3202-0.5107-0.9895 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4244 -5.4244 -5.1324 -5.1323 1.7654 1.7678 2.2315 2.2354 3.5498 3.5517 4.3082 4.3111 4.9729 4.9740 6.3735 6.3753 13.6515 13.6531 15.4303 15.4312 17.6627 17.6643 19.8739 19.8785 k = 0.3247-0.5179-1.0034 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4127 -5.4126 -5.1358 -5.1357 1.7646 1.7673 2.1968 2.2009 3.5178 3.5195 4.3478 4.3503 5.0190 5.0198 6.3577 6.3596 13.5857 13.5872 15.4077 15.4085 17.6469 17.6486 19.9357 19.9405 k = 0.3293-0.5251-1.0174 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4055 -5.4054 -5.1378 -5.1377 1.7566 1.7592 2.1759 2.1801 3.4842 3.4858 4.3916 4.3938 5.0619 5.0623 6.3470 6.3489 13.5184 13.5200 15.3904 15.3912 17.6280 17.6296 19.9940 19.9990 k = 0.3338-0.5323-1.0313 ( 2351 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4028 -5.4028 -5.1381 -5.1380 1.7388 1.7413 2.1713 2.1754 3.4496 3.4509 4.4395 4.4413 5.1006 5.1007 6.3417 6.3437 13.4499 13.4514 15.3786 15.3793 17.6060 17.6077 20.0464 20.0517 k = 0.3383-0.5395-1.0453 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4044 -5.4043 -5.1371 -5.1370 1.7111 1.7134 2.1830 2.1868 3.4142 3.4154 4.4909 4.4924 5.1341 5.1347 6.3421 6.3443 13.3799 13.3814 15.3723 15.3730 17.5812 17.5829 20.0891 20.0946 k = 0.3428-0.5467-1.0592 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4097 -5.4097 -5.1349 -5.1349 1.6753 1.6771 2.2091 2.2126 3.3785 3.3796 4.5455 4.5467 5.1624 5.1635 6.3486 6.3509 13.3087 13.3102 15.3715 15.3722 17.5538 17.5554 20.1153 20.1209 k = 0.6572-0.4029-0.9716 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4097 -5.4097 -5.1349 -5.1349 1.6753 1.6771 2.2091 2.2126 3.3785 3.3796 4.5455 4.5467 5.1624 5.1635 6.3486 6.3509 13.3087 13.3102 15.3715 15.3722 17.5538 17.5554 20.1153 20.1209 k = 0.6527-0.3873-0.9716 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4182 -5.4182 -5.1321 -5.1321 1.6338 1.6354 2.2468 2.2500 3.3430 3.3440 4.6025 4.6034 5.1856 5.1873 6.3610 6.3634 13.2366 13.2380 15.3762 15.3769 17.5240 17.5256 20.1146 20.1201 k = 0.6482-0.3717-0.9716 ( 2349 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4294 -5.4294 -5.1290 -5.1290 1.5888 1.5900 2.2938 2.2967 3.3078 3.3088 4.6613 4.6622 5.2041 5.2064 6.3791 6.3817 13.1633 13.1647 15.3864 15.3870 17.4918 17.4933 20.0777 20.0827 k = 0.6437-0.3560-0.9716 ( 2351 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4426 -5.4426 -5.1260 -5.1260 1.5417 1.5427 2.3482 2.3510 3.2731 3.2742 4.7210 4.7221 5.2188 5.2219 6.4024 6.4051 13.0889 13.0902 15.4020 15.4026 17.4573 17.4589 20.0046 20.0090 k = 0.6392-0.3404-0.9716 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4575 -5.4575 -5.1234 -5.1233 1.4937 1.4945 2.4087 2.4115 3.2394 3.2406 4.7802 4.7819 5.2313 5.2352 6.4303 6.4332 13.0134 13.0147 15.4231 15.4236 17.4207 17.4223 19.9033 19.9072 k = 0.6348-0.3248-0.9716 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4737 -5.4737 -5.1213 -5.1212 1.4454 1.4461 2.4741 2.4769 3.2069 3.2084 4.8373 4.8397 5.2437 5.2486 6.4622 6.4652 12.9369 12.9382 15.4494 15.4498 17.3820 17.3836 19.7824 19.7857 k = 0.6303-0.3092-0.9716 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.4908 -5.4908 -5.1198 -5.1198 1.3975 1.3981 2.5433 2.5463 3.1763 3.1781 4.8895 4.8927 5.2591 5.2649 6.4972 6.5003 12.8595 12.8608 15.4809 15.4813 17.3413 17.3429 19.6480 19.6510 k = 0.6258-0.2936-0.9716 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5086 -5.5086 -5.1192 -5.1191 1.3502 1.3507 2.6150 2.6183 3.1482 3.1504 4.9335 4.9375 5.2813 5.2881 6.5346 6.5378 12.7812 12.7824 15.5175 15.5179 17.2987 17.3002 19.5047 19.5073 k = 0.6213-0.2779-0.9716 ( 2355 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5269 -5.5269 -5.1193 -5.1192 1.3037 1.3042 2.6873 2.6910 3.1242 3.1270 4.9662 4.9707 5.3142 5.3216 6.5736 6.5770 12.7021 12.7033 15.5591 15.5594 17.2542 17.2557 19.3558 19.3582 k = 0.6168-0.2623-0.9716 ( 2357 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5456 -5.5456 -5.1201 -5.1201 1.2584 1.2587 2.7568 2.7612 3.1073 3.1109 4.9862 4.9907 5.3595 5.3670 6.6136 6.6171 12.6222 12.6234 15.6054 15.6058 17.2079 17.2094 19.2039 19.2061 k = 0.6123-0.2467-0.9716 ( 2353 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5643 -5.5643 -5.1217 -5.1217 1.2143 1.2146 2.8170 2.8222 3.1036 3.1081 4.9947 4.9989 5.4161 5.4235 6.6541 6.6577 12.5417 12.5428 15.6564 15.6567 17.1599 17.1614 19.0511 19.0530 k = 0.6078-0.2311-0.9716 ( 2354 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.5831 -5.5831 -5.1240 -5.1240 1.1715 1.1717 2.8580 2.8635 3.1232 3.1282 4.9945 4.9982 5.4814 5.4883 6.6946 6.6983 12.4605 12.4615 15.7117 15.7119 17.1104 17.1119 18.8990 18.9007 k = 0.6033-0.2155-0.9716 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.6018 -5.6018 -5.1270 -5.1269 1.1300 1.1303 2.8744 2.8793 3.1719 3.1764 4.9882 4.9914 5.5526 5.5591 6.7345 6.7383 12.3787 12.3798 15.7709 15.7711 17.0597 17.0612 18.7489 18.7505 k = 0.5988-0.1998-0.9716 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.6202 -5.6202 -5.1305 -5.1304 1.0901 1.0903 2.8719 2.8759 3.2427 3.2463 4.9778 4.9805 5.6276 5.6339 6.7736 6.7775 12.2965 12.2975 15.8337 15.8339 17.0081 17.0095 18.6020 18.6034 k = 0.5943-0.1842-0.9716 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3197 -89.3197 -5.6384 -5.6384 -5.1344 -5.1344 1.0517 1.0519 2.8596 2.8628 3.3259 3.3288 4.9646 4.9669 5.7052 5.7112 6.8116 6.8156 12.2140 12.2150 15.8994 15.8995 16.9561 16.9575 18.4591 18.4604 k = 0.5898-0.1686-0.9716 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3198 -89.3198 -5.6562 -5.6562 -5.1389 -5.1388 1.0149 1.0150 2.8428 2.8453 3.4156 3.4180 4.9498 4.9518 5.7842 5.7899 6.8482 6.8522 12.1313 12.1322 15.9670 15.9672 16.9047 16.9061 18.3212 18.3223 k = 0.5853-0.1530-0.9716 ( 2352 PWs) bands (ev): -90.7412 -90.7412 -90.5588 -90.5588 -89.3198 -89.3198 -5.6735 -5.6735 -5.1436 -5.1436 0.9797 0.9798 2.8240 2.8261 3.5090 3.5110 4.9339 4.9356 5.8638 5.8694 6.8831 6.8872 12.0485 12.0494 16.0353 16.0355 16.8552 16.8566 18.1886 18.1897 k = 0.5809-0.1374-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.6903 -5.6903 -5.1486 -5.1486 0.9462 0.9463 2.8047 2.8064 3.6043 3.6061 4.9175 4.9189 5.9434 5.9489 6.9162 6.9204 11.9659 11.9667 16.1020 16.1022 16.8100 16.8113 18.0621 18.0631 k = 0.5764-0.1217-0.9716 ( 2338 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7065 -5.7065 -5.1538 -5.1538 0.9143 0.9144 2.7854 2.7869 3.7003 3.7020 4.9010 4.9022 6.0226 6.0279 6.9473 6.9516 11.8837 11.8845 16.1633 16.1635 16.7728 16.7740 17.9420 17.9428 k = 0.5719-0.1061-0.9716 ( 2332 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7221 -5.7221 -5.1592 -5.1591 0.8842 0.8843 2.7666 2.7679 3.7963 3.7978 4.8846 4.8855 6.1007 6.1060 6.9764 6.9808 11.8022 11.8029 16.2136 16.2139 16.7495 16.7506 17.8285 17.8292 k = 0.5674-0.0905-0.9716 ( 2330 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7369 -5.7369 -5.1645 -5.1645 0.8558 0.8558 2.7485 2.7496 3.8915 3.8929 4.8685 4.8693 6.1774 6.1826 7.0033 7.0078 11.7216 11.7223 16.2454 16.2458 16.7477 16.7486 17.7219 17.7225 k = 0.5629-0.0749-0.9716 ( 2334 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7510 -5.7510 -5.1699 -5.1698 0.8291 0.8292 2.7313 2.7323 3.9852 3.9865 4.8529 4.8535 6.2522 6.2574 7.0279 7.0325 11.6424 11.6431 16.2536 16.2542 16.7725 16.7732 17.6223 17.6229 k = 0.5584-0.0593-0.9716 ( 2340 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7643 -5.7643 -5.1751 -5.1751 0.8042 0.8043 2.7150 2.7159 4.0767 4.0780 4.8379 4.8384 6.3247 6.3299 7.0503 7.0549 11.5650 11.5656 16.2400 16.2406 16.8225 16.8230 17.5300 17.5305 k = 0.5539-0.0436-0.9716 ( 2336 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7768 -5.7768 -5.1802 -5.1802 0.7811 0.7812 2.6998 2.7006 4.1654 4.1667 4.8238 4.8241 6.3946 6.3998 7.0703 7.0749 11.4898 11.4903 16.2110 16.2117 16.8908 16.8912 17.4452 17.4456 k = 0.5494-0.0280-0.9716 ( 2338 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7884 -5.7884 -5.1851 -5.1851 0.7598 0.7599 2.6857 2.6864 4.2506 4.2519 4.8105 4.8107 6.4614 6.4666 7.0879 7.0926 11.4173 11.4178 16.1735 16.1741 16.9700 16.9702 17.3686 17.3690 k = 0.5449-0.0124-0.9716 ( 2338 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7991 -5.7991 -5.1898 -5.1898 0.7403 0.7404 2.6728 2.6734 4.3316 4.3329 4.7981 4.7983 6.5248 6.5299 7.1032 7.1079 11.3482 11.3486 16.1322 16.1328 17.0525 17.0527 17.3030 17.3034 k = 0.5404 0.0032-0.9716 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8089 -5.8089 -5.1941 -5.1941 0.7227 0.7227 2.6610 2.6615 4.4077 4.4090 4.7867 4.7869 6.5843 6.5893 7.1162 7.1208 11.2829 11.2833 16.0901 16.0908 17.1209 17.1214 17.2621 17.2629 k = 0.5359 0.0188-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8177 -5.8177 -5.1981 -5.1981 0.7068 0.7069 2.6504 2.6508 4.4782 4.4795 4.7763 4.7767 6.6395 6.6443 7.1270 7.1315 11.2222 11.2226 16.0494 16.0500 17.1268 17.1274 17.2924 17.2933 k = 0.5314 0.0345-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8255 -5.8255 -5.2018 -5.2017 0.6929 0.6929 2.6410 2.6414 4.5424 4.5438 4.7670 4.7676 6.6900 6.6947 7.1356 7.1400 11.1667 11.1669 16.0114 16.0119 17.0901 17.0906 17.3719 17.3726 k = 0.5270 0.0501-0.9716 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8323 -5.8323 -5.2050 -5.2050 0.6807 0.6807 2.6329 2.6332 4.5996 4.6011 4.7589 4.7598 6.7355 6.7399 7.1422 7.1463 11.1169 11.1171 15.9770 15.9774 17.0498 17.0501 17.4593 17.4598 k = 0.5225 0.0657-0.9716 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8382 -5.8382 -5.2077 -5.2077 0.6704 0.6705 2.6260 2.6262 4.6490 4.6509 4.7520 4.7534 6.7753 6.7794 7.1470 7.1508 11.0735 11.0737 15.9469 15.9473 17.0134 17.0136 17.5443 17.5448 k = 0.5180 0.0813-0.9716 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8429 -5.8429 -5.2100 -5.2100 0.6620 0.6620 2.6203 2.6205 4.6898 4.6924 4.7464 4.7486 6.8092 6.8127 7.1502 7.1536 11.0372 11.0373 15.9217 15.9220 16.9829 16.9830 17.6225 17.6229 k = 0.5135 0.0969-0.9716 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8466 -5.8466 -5.2118 -5.2118 0.6555 0.6555 2.6159 2.6161 4.7201 4.7248 4.7425 4.7469 6.8365 6.8393 7.1523 7.1550 11.0083 11.0084 15.9017 15.9019 16.9588 16.9589 17.6898 17.6901 k = 0.5090 0.1126-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8493 -5.8493 -5.2131 -5.2131 0.6508 0.6508 2.6128 2.6129 4.7331 4.7371 4.7509 4.7546 6.8566 6.8587 7.1535 7.1555 10.9874 10.9875 15.8873 15.8874 16.9415 16.9416 17.7422 17.7424 k = 0.5045 0.1282-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8509 -5.8509 -5.2139 -5.2139 0.6480 0.6480 2.6109 2.6110 4.7344 4.7356 4.7648 4.7659 6.8692 6.8703 7.1543 7.1553 10.9747 10.9748 15.8785 15.8786 16.9310 16.9311 17.7757 17.7758 k = 0.5000 0.1438-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8514 -5.8514 -5.2142 -5.2142 0.6471 0.6471 2.6103 2.6103 4.7347 4.7347 4.7699 4.7699 6.8739 6.8739 7.1549 7.1549 10.9705 10.9705 15.8756 15.8756 16.9276 16.9276 17.7872 17.7872 k = 0.5000 0.1438-0.9716 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8514 -5.8514 -5.2142 -5.2142 0.6471 0.6471 2.6103 2.6103 4.7347 4.7347 4.7699 4.7699 6.8739 6.8739 7.1549 7.1549 10.9705 10.9705 15.8756 15.8756 16.9276 16.9276 17.7872 17.7872 k = 0.5131 0.1476-0.9643 ( 2347 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8512 -5.8512 -5.2149 -5.2149 0.6478 0.6478 2.6119 2.6119 4.7340 4.7340 4.7706 4.7706 6.8727 6.8727 7.1508 7.1508 10.9741 10.9741 15.8768 15.8769 16.9283 16.9284 17.7902 17.7902 k = 0.5262 0.1513-0.9570 ( 2342 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8503 -5.8503 -5.2173 -5.2172 0.6499 0.6499 2.6167 2.6167 4.7321 4.7322 4.7728 4.7728 6.8694 6.8694 7.1387 7.1388 10.9850 10.9851 15.8802 15.8804 16.9308 16.9308 17.7991 17.7991 k = 0.5393 0.1551-0.9497 ( 2342 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8489 -5.8489 -5.2211 -5.2211 0.6534 0.6534 2.6246 2.6246 4.7290 4.7291 4.7765 4.7765 6.8638 6.8638 7.1186 7.1187 11.0032 11.0033 15.8856 15.8859 16.9350 16.9350 17.8138 17.8138 k = 0.5524 0.1589-0.9424 ( 2340 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8470 -5.8470 -5.2264 -5.2263 0.6583 0.6583 2.6356 2.6356 4.7247 4.7248 4.7817 4.7817 6.8560 6.8560 7.0907 7.0909 11.0284 11.0285 15.8926 15.8930 16.9414 16.9414 17.8343 17.8343 k = 0.5655 0.1626-0.9351 ( 2342 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8445 -5.8445 -5.2331 -5.2331 0.6646 0.6646 2.6496 2.6496 4.7193 4.7194 4.7883 4.7883 6.8461 6.8461 7.0555 7.0557 11.0604 11.0606 15.9005 15.9010 16.9503 16.9503 17.8607 17.8607 k = 0.5786 0.1664-0.9278 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8416 -5.8416 -5.2412 -5.2411 0.6722 0.6723 2.6665 2.6665 4.7129 4.7131 4.7963 4.7963 6.8342 6.8342 7.0131 7.0134 11.0992 11.0993 15.9085 15.9092 16.9623 16.9623 17.8927 17.8927 k = 0.5917 0.1702-0.9205 ( 2347 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8383 -5.8383 -5.2505 -5.2505 0.6813 0.6813 2.6861 2.6861 4.7057 4.7060 4.8059 4.8059 6.8201 6.8202 6.9640 6.9644 11.1443 11.1445 15.9158 15.9166 16.9780 16.9780 17.9303 17.9303 k = 0.6048 0.1739-0.9132 ( 2349 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8345 -5.8345 -5.2611 -5.2610 0.6917 0.6918 2.7083 2.7083 4.6979 4.6982 4.8168 4.8168 6.8042 6.8042 6.9087 6.9090 11.1956 11.1958 15.9214 15.9222 16.9980 16.9980 17.9734 17.9734 k = 0.6179 0.1777-0.9059 ( 2349 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8305 -5.8305 -5.2727 -5.2727 0.7035 0.7036 2.7330 2.7330 4.6896 4.6899 4.8291 4.8291 6.7863 6.7863 6.8476 6.8480 11.2529 11.2531 15.9243 15.9252 17.0231 17.0231 18.0219 18.0219 k = 0.6310 0.1815-0.8986 ( 2349 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8263 -5.8263 -5.2852 -5.2852 0.7166 0.7167 2.7598 2.7598 4.6811 4.6814 4.8428 4.8428 6.7656 6.7659 6.7822 6.7824 11.3157 11.3159 15.9236 15.9245 17.0537 17.0537 18.0756 18.0756 k = 0.6441 0.1852-0.8913 ( 2347 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8220 -5.8219 -5.2985 -5.2985 0.7311 0.7311 2.7885 2.7885 4.6725 4.6729 4.8578 4.8578 6.7086 6.7092 6.7466 6.7467 11.3838 11.3840 15.9185 15.9195 17.0904 17.0904 18.1344 18.1344 k = 0.6572 0.1890-0.8840 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8176 -5.8176 -5.3125 -5.3124 0.7468 0.7469 2.8189 2.8189 4.6641 4.6645 4.8741 4.8742 6.6332 6.6338 6.7236 6.7237 11.4570 11.4572 15.9084 15.9094 17.1334 17.1334 18.1981 18.1981 k = 0.6572 0.1890-0.8840 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8176 -5.8176 -5.3125 -5.3124 0.7468 0.7469 2.8189 2.8189 4.6641 4.6645 4.8741 4.8742 6.6332 6.6338 6.7236 6.7237 11.4570 11.4572 15.9084 15.9094 17.1334 17.1334 18.1981 18.1981 k = 0.6546 0.1883-0.8681 ( 2355 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8237 -5.8237 -5.3321 -5.3321 0.7635 0.7636 2.8451 2.8451 4.6884 4.6889 4.8829 4.8829 6.6119 6.6125 6.7281 6.7281 11.4528 11.4531 15.8946 15.8956 17.1524 17.1524 18.2152 18.2152 k = 0.6521 0.1875-0.8521 ( 2355 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8340 -5.8340 -5.3528 -5.3528 0.7869 0.7870 2.8748 2.8749 4.7082 4.7087 4.8934 4.8934 6.5923 6.5930 6.7340 6.7341 11.4551 11.4554 15.8829 15.8839 17.1707 17.1707 18.2341 18.2341 k = 0.6495 0.1868-0.8362 ( 2355 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8485 -5.8485 -5.3746 -5.3746 0.8169 0.8171 2.9082 2.9082 4.7233 4.7239 4.9059 4.9059 6.5746 6.5754 6.7414 6.7414 11.4640 11.4643 15.8734 15.8744 17.1882 17.1883 18.2548 18.2548 k = 0.6469 0.1860-0.8203 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8670 -5.8670 -5.3974 -5.3974 0.8535 0.8537 2.9450 2.9451 4.7337 4.7343 4.9202 4.9202 6.5588 6.5596 6.7502 6.7502 11.4796 11.4799 15.8660 15.8671 17.2050 17.2051 18.2772 18.2772 k = 0.6443 0.1853-0.8044 ( 2345 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.8894 -5.8893 -5.4212 -5.4211 0.8965 0.8967 2.9852 2.9852 4.7393 4.7400 4.9364 4.9364 6.5449 6.5458 6.7604 6.7604 11.5019 11.5022 15.8608 15.8619 17.2211 17.2212 18.3012 18.3012 k = 0.6418 0.1846-0.7884 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3198 -89.3198 -5.9152 -5.9152 -5.4459 -5.4459 0.9457 0.9459 3.0284 3.0285 4.7403 4.7410 4.9544 4.9544 6.5330 6.5339 6.7719 6.7720 11.5310 11.5313 15.8578 15.8588 17.2364 17.2364 18.3270 18.3270 k = 0.6392 0.1838-0.7725 ( 2347 PWs) bands (ev): -90.7413 -90.7413 -90.5589 -90.5589 -89.3199 -89.3199 -5.9444 -5.9444 -5.4717 -5.4717 1.0009 1.0011 3.0746 3.0746 4.7368 4.7376 4.9743 4.9743 6.5228 6.5238 6.7848 6.7849 11.5668 11.5671 15.8568 15.8578 17.2508 17.2509 18.3544 18.3544 k = 0.6366 0.1831-0.7566 ( 2349 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -5.9766 -5.9766 -5.4985 -5.4985 1.0619 1.0621 3.1234 3.1235 4.7292 4.7301 4.9959 4.9959 6.5145 6.5155 6.7991 6.7991 11.6094 11.6096 15.8579 15.8589 17.2645 17.2646 18.3835 18.3835 k = 0.6340 0.1823-0.7406 ( 2351 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.0115 -6.0115 -5.5263 -5.5263 1.1285 1.1287 3.1747 3.1747 4.7177 4.7187 5.0194 5.0194 6.5077 6.5088 6.8146 6.8146 11.6586 11.6588 15.8610 15.8620 17.2774 17.2774 18.4141 18.4141 k = 0.6314 0.1816-0.7247 ( 2355 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.0489 -6.0488 -5.5551 -5.5551 1.2004 1.2007 3.2280 3.2281 4.7029 4.7039 5.0446 5.0446 6.5025 6.5036 6.8314 6.8314 11.7143 11.7145 15.8661 15.8671 17.2894 17.2895 18.4462 18.4462 k = 0.6289 0.1809-0.7088 ( 2355 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.0883 -6.0883 -5.5850 -5.5849 1.2774 1.2777 3.2832 3.2832 4.6852 4.6863 5.0716 5.0716 6.4987 6.4999 6.8494 6.8494 11.7763 11.7766 15.8731 15.8741 17.3006 17.3007 18.4798 18.4798 k = 0.6263 0.1801-0.6929 ( 2360 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.1296 -6.1296 -5.6158 -5.6158 1.3592 1.3595 3.3397 3.3397 4.6651 4.6663 5.1004 5.1004 6.4962 6.4974 6.8686 6.8687 11.8446 11.8449 15.8819 15.8830 17.3110 17.3110 18.5146 18.5146 k = 0.6237 0.1794-0.6769 ( 2360 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.1725 -6.1725 -5.6475 -5.6475 1.4456 1.4458 3.3970 3.3971 4.6433 4.6446 5.1308 5.1308 6.4950 6.4962 6.8890 6.8891 11.9189 11.9192 15.8926 15.8937 17.3205 17.3205 18.5507 18.5507 k = 0.6211 0.1786-0.6610 ( 2358 PWs) bands (ev): -90.7414 -90.7414 -90.5589 -90.5589 -89.3199 -89.3199 -6.2168 -6.2167 -5.6801 -5.6801 1.5362 1.5365 3.4547 3.4548 4.6205 4.6218 5.1630 5.1630 6.4949 6.4962 6.9106 6.9106 11.9990 11.9992 15.9050 15.9061 17.3291 17.3292 18.5879 18.5879 k = 0.6186 0.1779-0.6451 ( 2350 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.2621 -6.2621 -5.7135 -5.7135 1.6308 1.6311 3.5120 3.5122 4.5975 4.5990 5.1968 5.1968 6.4960 6.4973 6.9332 6.9332 12.0846 12.0848 15.9191 15.9202 17.3369 17.3369 18.6260 18.6260 k = 0.6160 0.1771-0.6291 ( 2350 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.3084 -6.3084 -5.7477 -5.7476 1.7290 1.7294 3.5681 3.5683 4.5753 4.5769 5.2323 5.2323 6.4982 6.4995 6.9568 6.9568 12.1755 12.1757 15.9349 15.9360 17.3437 17.3437 18.6647 18.6647 k = 0.6134 0.1764-0.6132 ( 2346 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.3554 -6.3554 -5.7825 -5.7824 1.8307 1.8310 3.6219 3.6222 4.5551 4.5569 5.2693 5.2693 6.5016 6.5029 6.9814 6.9814 12.2713 12.2715 15.9521 15.9532 17.3496 17.3496 18.6955 18.6969 k = 0.6108 0.1757-0.5973 ( 2344 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.4030 -6.4030 -5.8178 -5.8178 1.9354 1.9357 3.6721 3.6725 4.5382 4.5402 5.3079 5.3079 6.5062 6.5076 7.0069 7.0069 12.3718 12.3720 15.9709 15.9720 17.3545 17.3545 18.6984 18.6998 k = 0.6082 0.1749-0.5814 ( 2344 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.4509 -6.4509 -5.8536 -5.8536 2.0428 2.0432 3.7172 3.7177 4.5263 4.5284 5.3481 5.3481 6.5122 6.5136 7.0333 7.0333 12.4766 12.4768 15.9910 15.9921 17.3585 17.3585 18.7010 18.7023 k = 0.6057 0.1742-0.5654 ( 2342 PWs) bands (ev): -90.7415 -90.7415 -90.5590 -90.5590 -89.3200 -89.3200 -6.4991 -6.4990 -5.8897 -5.8897 2.1525 2.1529 3.7556 3.7563 4.5211 4.5234 5.3897 5.3897 6.5196 6.5210 7.0605 7.0605 12.5853 12.5855 16.0124 16.0135 17.3614 17.3615 18.7031 18.7045 k = 0.6031 0.1734-0.5495 ( 2344 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.5473 -6.5473 -5.9262 -5.9261 2.2643 2.2647 3.7857 3.7865 4.5242 4.5267 5.4328 5.4328 6.5287 6.5301 7.0884 7.0884 12.6977 12.6979 16.0350 16.0362 17.3634 17.3634 18.7049 18.7063 k = 0.6005 0.1727-0.5336 ( 2344 PWs) bands (ev): -90.7416 -90.7416 -90.5590 -90.5590 -89.3201 -89.3201 -6.5955 -6.5955 -5.9628 -5.9628 2.3776 2.3780 3.8063 3.8072 4.5370 4.5396 5.4772 5.4772 6.5395 6.5409 7.1170 7.1170 12.8134 12.8135 16.0588 16.0599 17.3643 17.3644 18.7061 18.7076 k = 0.5979 0.1720-0.5177 ( 2347 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -6.6435 -6.6435 -5.9995 -5.9995 2.4919 2.4923 3.8171 3.8181 4.5599 4.5626 5.5230 5.5230 6.5522 6.5537 7.1462 7.1462 12.9318 12.9320 16.0835 16.0846 17.3643 17.3644 18.7068 18.7084 k = 0.5954 0.1712-0.5017 ( 2347 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -6.6912 -6.6912 -6.0362 -6.0361 2.6068 2.6072 3.8189 3.8199 4.5925 4.5953 5.5701 5.5701 6.5671 6.5686 7.1759 7.1760 13.0528 13.0529 16.1091 16.1103 17.3634 17.3635 18.7068 18.7084 k = 0.5928 0.1705-0.4858 ( 2349 PWs) bands (ev): -90.7416 -90.7416 -90.5591 -90.5591 -89.3201 -89.3201 -6.7385 -6.7385 -6.0728 -6.0727 2.7215 2.7219 3.8129 3.8140 4.6335 4.6364 5.6184 5.6184 6.5843 6.5858 7.2061 7.2061 13.1758 13.1759 16.1355 16.1366 17.3615 17.3616 18.7059 18.7075 k = 0.5902 0.1697-0.4699 ( 2351 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3201 -89.3201 -6.7854 -6.7853 -6.1092 -6.1092 2.8352 2.8356 3.8012 3.8023 4.6816 4.6845 5.6680 5.6680 6.6039 6.6054 7.2367 7.2367 13.3004 13.3006 16.1625 16.1636 17.3588 17.3590 18.7039 18.7056 k = 0.5876 0.1690-0.4539 ( 2351 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.8316 -6.8316 -6.1453 -6.1453 2.9467 2.9471 3.7861 3.7872 4.7353 4.7382 5.7186 5.7186 6.6262 6.6277 7.2675 7.2675 13.4262 13.4263 16.1899 16.1911 17.3554 17.3556 18.7006 18.7024 k = 0.5851 0.1683-0.4380 ( 2345 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.8772 -6.8772 -6.1812 -6.1811 3.0544 3.0547 3.7700 3.7711 4.7933 4.7962 5.7703 5.7703 6.6512 6.6528 7.2986 7.2986 13.5527 13.5528 16.2176 16.2187 17.3515 17.3517 18.6957 18.6975 k = 0.5825 0.1675-0.4221 ( 2345 PWs) bands (ev): -90.7417 -90.7417 -90.5591 -90.5591 -89.3202 -89.3202 -6.9221 -6.9220 -6.2166 -6.2165 3.1557 3.1559 3.7561 3.7574 4.8547 4.8576 5.8230 5.8230 6.6791 6.6807 7.3297 7.3297 13.6793 13.6794 16.2453 16.2465 17.3472 17.3474 18.6887 18.6906 k = 0.5799 0.1668-0.4062 ( 2349 PWs) bands (ev): -90.7417 -90.7417 -90.5592 -90.5592 -89.3202 -89.3202 -6.9661 -6.9661 -6.2515 -6.2515 3.2463 3.2464 3.7490 3.7504 4.9189 4.9218 5.8765 5.8765 6.7100 6.7116 7.3608 7.3609 13.8056 13.8057 16.2729 16.2741 17.3428 17.3430 18.6791 18.6811 k = 0.5773 0.1660-0.3902 ( 2347 PWs) bands (ev): -90.7417 -90.7417 -90.5592 -90.5592 -89.3202 -89.3202 -7.0092 -7.0092 -6.2859 -6.2858 3.3198 3.3199 3.7552 3.7567 4.9855 4.9884 5.9310 5.9310 6.7438 6.7454 7.3919 7.3919 13.9310 13.9311 16.3000 16.3012 17.3385 17.3388 18.6666 18.6686 k = 0.5747 0.1653-0.3743 ( 2347 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.0514 -7.0514 -6.3196 -6.3196 3.3690 3.3693 3.7815 3.7832 5.0543 5.0573 5.9861 5.9861 6.7806 6.7822 7.4227 7.4228 14.0548 14.0549 16.3265 16.3277 17.3348 17.3351 18.6505 18.6526 k = 0.5722 0.1645-0.3584 ( 2347 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.0926 -7.0926 -6.3527 -6.3527 3.3917 3.3920 3.8301 3.8319 5.1256 5.1286 6.0419 6.0419 6.8202 6.8218 7.4533 7.4533 14.1765 14.1766 16.3520 16.3532 17.3320 17.3323 18.6304 18.6326 k = 0.5696 0.1638-0.3424 ( 2348 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.1328 -7.1328 -6.3851 -6.3851 3.3932 3.3935 3.8955 3.8973 5.1994 5.2024 6.0982 6.0982 6.8625 6.8642 7.4834 7.4834 14.2953 14.2954 16.3763 16.3775 17.3306 17.3308 18.6058 18.6080 k = 0.5670 0.1631-0.3265 ( 2351 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.1718 -7.1718 -6.4167 -6.4167 3.3810 3.3813 3.9695 3.9711 5.2760 5.2790 6.1550 6.1550 6.9074 6.9090 7.5130 7.5130 14.4105 14.4105 16.3991 16.4003 17.3309 17.3312 18.5764 18.5787 k = 0.5644 0.1623-0.3106 ( 2354 PWs) bands (ev): -90.7418 -90.7418 -90.5592 -90.5592 -89.3203 -89.3203 -7.2097 -7.2097 -6.4475 -6.4474 3.3611 3.3613 4.0457 4.0473 5.3557 5.3586 6.2122 6.2122 6.9545 6.9561 7.5420 7.5420 14.5212 14.5212 16.4202 16.4215 17.3336 17.3338 18.5423 18.5446 k = 0.5619 0.1616-0.2947 ( 2356 PWs) bands (ev): -90.7419 -90.7419 -90.5592 -90.5592 -89.3204 -89.3204 -7.2464 -7.2464 -6.4774 -6.4773 3.3369 3.3370 4.1205 4.1220 5.4388 5.4416 6.2696 6.2696 7.0036 7.0052 7.5702 7.5702 14.6267 14.6267 16.4395 16.4408 17.3388 17.3390 18.5037 18.5060 k = 0.5593 0.1608-0.2787 ( 2360 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.2818 -7.2818 -6.5063 -6.5063 3.3103 3.3104 4.1916 4.1931 5.5253 5.5281 6.3270 6.3271 7.0544 7.0559 7.5975 7.5976 14.7259 14.7260 16.4571 16.4584 17.3470 17.3472 18.4612 18.4635 k = 0.5567 0.1601-0.2628 ( 2360 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.3160 -7.3160 -6.5343 -6.5343 3.2826 3.2827 4.2578 4.2591 5.6152 5.6180 6.3845 6.3845 7.1064 7.1079 7.6239 7.6239 14.8181 14.8182 16.4732 16.4745 17.3583 17.3584 18.4156 18.4179 k = 0.5541 0.1594-0.2469 ( 2353 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.3489 -7.3488 -6.5613 -6.5613 3.2546 3.2547 4.3184 4.3196 5.7084 5.7111 6.4419 6.4419 7.1593 7.1608 7.6492 7.6492 14.9021 14.9023 16.4881 16.4895 17.3725 17.3725 18.3680 18.3703 k = 0.5515 0.1586-0.2310 ( 2349 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.3804 -7.3804 -6.5873 -6.5872 3.2266 3.2267 4.3732 4.3744 5.8045 5.8071 6.4990 6.4990 7.2126 7.2142 7.6733 7.6733 14.9772 14.9775 16.5024 16.5038 17.3893 17.3894 18.3080 18.3080 k = 0.5490 0.1579-0.2150 ( 2351 PWs) bands (ev): -90.7419 -90.7419 -90.5593 -90.5593 -89.3204 -89.3204 -7.4105 -7.4105 -6.6121 -6.6121 3.1991 3.1992 4.4223 4.4233 5.9030 5.9055 6.5556 6.5556 7.2660 7.2675 7.6960 7.6960 15.0425 15.0429 16.5169 16.5183 17.4080 17.4082 18.2243 18.2243 k = 0.5464 0.1571-0.1991 ( 2349 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3204 -89.3204 -7.4393 -7.4393 -6.6359 -6.6359 3.1723 3.1723 4.4659 4.4669 6.0033 6.0056 6.6117 6.6117 7.3191 7.3205 7.7174 7.7174 15.0974 15.0978 16.5322 16.5336 17.4278 17.4282 18.1415 18.1415 k = 0.5438 0.1564-0.1832 ( 2347 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.4666 -7.4666 -6.6586 -6.6585 3.1463 3.1464 4.5044 4.5053 6.1046 6.1069 6.6669 6.6670 7.3713 7.3727 7.7372 7.7372 15.1415 15.1420 16.5489 16.5504 17.4474 17.4479 18.0603 18.0603 k = 0.5412 0.1556-0.1672 ( 2347 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.4925 -7.4925 -6.6801 -6.6800 3.1214 3.1215 4.5383 4.5391 6.2063 6.2084 6.7213 6.7213 7.4223 7.4237 7.7555 7.7555 15.1747 15.1753 16.5677 16.5692 17.4653 17.4660 17.9812 17.9812 k = 0.5387 0.1549-0.1513 ( 2349 PWs) bands (ev): -90.7420 -90.7420 -90.5593 -90.5593 -89.3205 -89.3205 -7.5169 -7.5169 -6.7004 -6.7003 3.0976 3.0977 4.5679 4.5686 6.3074 6.3095 6.7745 6.7745 7.4717 7.4731 7.7721 7.7721 15.1974 15.1980 16.5887 16.5903 17.4798 17.4806 17.9047 17.9047 k = 0.5361 0.1542-0.1354 ( 2351 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.5398 -7.5398 -6.7195 -6.7194 3.0751 3.0751 4.5937 4.5943 6.4074 6.4093 6.8264 6.8264 7.5191 7.5205 7.7870 7.7870 15.2102 15.2109 16.6119 16.6136 17.4892 17.4900 17.8314 17.8314 k = 0.5335 0.1534-0.1195 ( 2348 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.5612 -7.5612 -6.7373 -6.7373 3.0539 3.0539 4.6162 4.6167 6.5054 6.5072 6.8767 6.8767 7.5642 7.5655 7.8002 7.8002 15.2142 15.2148 16.6372 16.6388 17.4921 17.4930 17.7615 17.7615 k = 0.5309 0.1527-0.1035 ( 2346 PWs) bands (ev): -90.7420 -90.7420 -90.5594 -90.5594 -89.3205 -89.3205 -7.5811 -7.5811 -6.7539 -6.7539 3.0340 3.0340 4.6356 4.6361 6.6005 6.6023 6.9252 6.9253 7.6066 7.6078 7.8116 7.8116 15.2106 15.2112 16.6641 16.6657 17.4881 17.4890 17.6955 17.6955 k = 0.5284 0.1519-0.0876 ( 2348 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -7.5995 -7.5995 -6.7693 -6.7693 3.0155 3.0156 4.6524 4.6529 6.6922 6.6938 6.9717 6.9718 7.6459 7.6472 7.8213 7.8213 15.2007 15.2014 16.6921 16.6937 17.4776 17.4784 17.6336 17.6336 k = 0.5258 0.1512-0.0717 ( 2346 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3205 -89.3205 -7.6163 -7.6162 -6.7833 -6.7833 2.9986 2.9986 4.6669 4.6673 6.7795 6.7811 7.0160 7.0160 7.6821 7.6833 7.8292 7.8293 15.1862 15.1868 16.7206 16.7221 17.4616 17.4622 17.5762 17.5762 k = 0.5232 0.1505-0.0558 ( 2350 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6315 -7.6315 -6.7961 -6.7961 2.9831 2.9832 4.6793 4.6796 6.8618 6.8633 7.0575 7.0576 7.7147 7.7158 7.8356 7.8356 15.1683 15.1689 16.7490 16.7505 17.4416 17.4422 17.5235 17.5235 k = 0.5206 0.1497-0.0398 ( 2350 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6451 -7.6451 -6.8076 -6.8076 2.9692 2.9692 4.6898 4.6901 6.9384 6.9397 7.0963 7.0963 7.7437 7.7448 7.8404 7.8405 15.1484 15.1490 16.7769 16.7783 17.4193 17.4197 17.4758 17.4758 k = 0.5180 0.1490-0.0239 ( 2352 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6572 -7.6572 -6.8177 -6.8177 2.9569 2.9569 4.6987 4.6990 7.0084 7.0096 7.1317 7.1318 7.7689 7.7699 7.8439 7.8440 15.1278 15.1283 16.8037 16.8050 17.3960 17.3963 17.4332 17.4332 k = 0.5155 0.1482-0.0080 ( 2340 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6677 -7.6677 -6.8265 -6.8265 2.9462 2.9462 4.7061 4.7063 7.0712 7.0723 7.1636 7.1637 7.7904 7.7913 7.8463 7.8464 15.1077 15.1081 16.8289 16.8301 17.3729 17.3730 17.3960 17.3960 k = 0.5129 0.1475 0.0080 ( 2336 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6766 -7.6766 -6.8340 -6.8340 2.9371 2.9371 4.7121 4.7123 7.1259 7.1269 7.1916 7.1917 7.8079 7.8088 7.8477 7.8478 15.0889 15.0893 16.8519 16.8530 17.3510 17.3510 17.3642 17.3642 k = 0.5103 0.1468 0.0239 ( 2326 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6839 -7.6838 -6.8401 -6.8401 2.9296 2.9296 4.7169 4.7171 7.1718 7.1727 7.2153 7.2154 7.8217 7.8225 7.8487 7.8488 15.0724 15.0727 16.8722 16.8732 17.3311 17.3312 17.3381 17.3381 k = 0.5077 0.1460 0.0398 ( 2330 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6895 -7.6895 -6.8449 -6.8449 2.9237 2.9238 4.7205 4.7206 7.2080 7.2087 7.2346 7.2347 7.8317 7.8323 7.8496 7.8497 15.0588 15.0591 16.8892 16.8900 17.3141 17.3142 17.3179 17.3179 k = 0.5052 0.1453 0.0557 ( 2334 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6936 -7.6936 -6.8483 -6.8483 2.9196 2.9196 4.7231 4.7232 7.2336 7.2341 7.2494 7.2495 7.8377 7.8381 7.8509 7.8509 15.0488 15.0489 16.9021 16.9026 17.3010 17.3010 17.3036 17.3036 k = 0.5026 0.1445 0.0717 ( 2334 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6960 -7.6960 -6.8503 -6.8503 2.9171 2.9171 4.7246 4.7247 7.2479 7.2481 7.2599 7.2599 7.8406 7.8407 7.8523 7.8524 15.0426 15.0427 16.9103 16.9105 17.2926 17.2926 17.2951 17.2951 k = 0.5000 0.1438 0.0876 ( 2340 PWs) bands (ev): -90.7421 -90.7421 -90.5594 -90.5594 -89.3206 -89.3206 -7.6968 -7.6968 -6.8510 -6.8510 2.9162 2.9162 4.7251 4.7251 7.2522 7.2522 7.2639 7.2639 7.8413 7.8413 7.8530 7.8530 15.0405 15.0405 16.9131 16.9131 17.2898 17.2898 17.2922 17.2922 k = 0.5000-0.7974-0.4858 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7542 -5.7542 -5.3824 -5.3824 1.1111 1.1111 3.0617 3.0617 4.5308 4.5308 5.1669 5.1669 5.2674 5.2674 6.1240 6.1240 13.6878 13.6878 14.8068 14.8068 18.4043 18.4043 18.5736 18.5736 k = 0.5143-0.7909-0.4818 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7543 -5.7543 -5.3823 -5.3823 1.1095 1.1095 3.0620 3.0620 4.5273 4.5275 5.1741 5.1743 5.2655 5.2655 6.1265 6.1265 13.6732 13.6732 14.8187 14.8187 18.4026 18.4027 18.5655 18.5657 k = 0.5286-0.7844-0.4778 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7546 -5.7546 -5.3818 -5.3818 1.1047 1.1047 3.0629 3.0629 4.5176 4.5179 5.1954 5.1957 5.2597 5.2597 6.1341 6.1341 13.6312 13.6313 14.8526 14.8526 18.3974 18.3975 18.5425 18.5427 k = 0.5429-0.7778-0.4738 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7551 -5.7551 -5.3811 -5.3811 1.0969 1.0969 3.0641 3.0642 4.5033 4.5038 5.2290 5.2293 5.2505 5.2505 6.1463 6.1463 13.5662 13.5664 14.9040 14.9041 18.3876 18.3878 18.5071 18.5074 k = 0.5572-0.7713-0.4699 ( 2350 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7558 -5.7558 -5.3800 -5.3800 1.0862 1.0862 3.0654 3.0655 4.4867 4.4872 5.2373 5.2373 5.2737 5.2742 6.1630 6.1630 13.4837 13.4838 14.9678 14.9679 18.3700 18.3701 18.4653 18.4654 k = 0.5715-0.7647-0.4659 ( 2352 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7567 -5.7567 -5.3787 -5.3787 1.0729 1.0729 3.0662 3.0663 4.4696 4.4702 5.2219 5.2219 5.3262 5.3267 6.1835 6.1835 13.3880 13.3882 15.0394 15.0396 18.3359 18.3360 18.4282 18.4284 k = 0.5858-0.7582-0.4619 ( 2349 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7579 -5.7579 -5.3771 -5.3771 1.0572 1.0573 3.0662 3.0664 4.4540 4.4546 5.2041 5.2041 5.3856 5.3862 6.2075 6.2075 13.2828 13.2831 15.1154 15.1156 18.2798 18.2802 18.4042 18.4047 k = 0.6000-0.7517-0.4579 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7593 -5.7593 -5.3752 -5.3752 1.0396 1.0396 3.0649 3.0651 4.4410 4.4417 5.1845 5.1845 5.4504 5.4510 6.2343 6.2343 13.1708 13.1711 15.1931 15.1933 18.2090 18.2095 18.3890 18.3897 k = 0.6143-0.7451-0.4539 ( 2345 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7609 -5.7609 -5.3729 -5.3729 1.0202 1.0202 3.0618 3.0620 4.4318 4.4325 5.1634 5.1634 5.5196 5.5203 6.2635 6.2635 13.0539 13.0542 15.2706 15.2710 18.1304 18.1310 18.3781 18.3789 k = 0.6286-0.7386-0.4500 ( 2346 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7628 -5.7628 -5.3704 -5.3704 0.9995 0.9995 3.0565 3.0567 4.4269 4.4276 5.1412 5.1413 5.5924 5.5930 6.2946 6.2946 12.9337 12.9340 15.3467 15.3471 18.0477 18.0483 18.3700 18.3709 k = 0.6429-0.7321-0.4460 ( 2348 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7650 -5.7650 -5.3676 -5.3676 0.9778 0.9778 3.0489 3.0490 4.4267 4.4274 5.1185 5.1185 5.6680 5.6687 6.3272 6.3272 12.8112 12.8115 15.4202 15.4207 17.9629 17.9634 18.3646 18.3656 k = 0.6572-0.7255-0.4420 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7675 -5.7675 -5.3645 -5.3644 0.9555 0.9555 3.0387 3.0388 4.4313 4.4320 5.0953 5.0953 5.7460 5.7467 6.3609 6.3609 12.6876 12.6879 15.4903 15.4909 17.8775 17.8780 18.3622 18.3633 k = 0.6715-0.7190-0.4380 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7703 -5.7703 -5.3610 -5.3610 0.9328 0.9329 3.0259 3.0261 4.4405 4.4412 5.0721 5.0721 5.8258 5.8264 6.3954 6.3954 12.5635 12.5639 15.5563 15.5569 17.7926 17.7931 18.3632 18.3643 k = 0.6858-0.7125-0.4340 ( 2344 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7734 -5.7734 -5.3573 -5.3573 0.9102 0.9102 3.0108 3.0110 4.4539 4.4546 5.0491 5.0491 5.9070 5.9076 6.4303 6.4303 12.4399 12.4402 15.6176 15.6182 17.7092 17.7097 18.3679 18.3691 k = 0.7001-0.7059-0.4301 ( 2341 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7769 -5.7769 -5.3533 -5.3533 0.8878 0.8879 2.9936 2.9937 4.4711 4.4718 5.0264 5.0264 5.9891 5.9898 6.4654 6.4654 12.3174 12.3177 15.6737 15.6744 17.6282 17.6286 18.3768 18.3780 k = 0.7144-0.6994-0.4261 ( 2341 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7807 -5.7807 -5.3491 -5.3490 0.8660 0.8661 2.9745 2.9746 4.4914 4.4920 5.0042 5.0042 6.0719 6.0726 6.5004 6.5004 12.1967 12.1970 15.7242 15.7250 17.5502 17.5506 18.3901 18.3914 k = 0.7287-0.6928-0.4221 ( 2345 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7848 -5.7848 -5.3445 -5.3445 0.8450 0.8451 2.9539 2.9540 4.5142 4.5148 4.9828 4.9828 6.1549 6.1555 6.5350 6.5350 12.0784 12.0787 15.7688 15.7696 17.4759 17.4763 18.4083 18.4096 k = 0.7430-0.6863-0.4181 ( 2343 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7894 -5.7893 -5.3397 -5.3397 0.8250 0.8251 2.9321 2.9322 4.5388 4.5394 4.9621 4.9621 6.2376 6.2383 6.5691 6.5691 11.9632 11.9635 15.8073 15.8082 17.4059 17.4062 18.4315 18.4328 k = 0.7573-0.6798-0.4141 ( 2347 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7943 -5.7942 -5.3347 -5.3347 0.8063 0.8063 2.9097 2.9097 4.5644 4.5650 4.9423 4.9423 6.3198 6.3204 6.6023 6.6023 11.8517 11.8520 15.8395 15.8404 17.3407 17.3409 18.4597 18.4610 k = 0.7716-0.6732-0.4101 ( 2347 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.7995 -5.7995 -5.3294 -5.3294 0.7889 0.7890 2.8868 2.8868 4.5905 4.5910 4.9236 4.9236 6.4009 6.4015 6.6346 6.6346 11.7447 11.7450 15.8655 15.8664 17.2805 17.2807 18.4098 18.4099 k = 0.7858-0.6667-0.4062 ( 2345 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8052 -5.8052 -5.3239 -5.3239 0.7731 0.7732 2.8638 2.8639 4.6162 4.6167 4.9059 4.9059 6.4805 6.4811 6.6657 6.6657 11.6428 11.6431 15.8854 15.8864 17.2259 17.2260 18.3350 18.3350 k = 0.8001-0.6602-0.4022 ( 2353 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8112 -5.8112 -5.3183 -5.3183 0.7591 0.7591 2.8411 2.8412 4.6409 4.6414 4.8894 4.8894 6.5581 6.5587 6.6954 6.6954 11.5466 11.5469 15.8995 15.9005 17.1768 17.1769 18.2643 18.2643 k = 0.8144-0.6536-0.3982 ( 2351 PWs) bands (ev): -90.7413 -90.7413 -90.5588 -90.5588 -89.3198 -89.3198 -5.8176 -5.8176 -5.3125 -5.3124 0.7468 0.7469 2.8189 2.8189 4.6641 4.6645 4.8741 4.8742 6.6332 6.6338 6.7236 6.7237 11.4570 11.4572 15.9084 15.9094 17.1334 17.1334 18.1981 18.1981 Writing output data file Be3N2.save init_run : 0.32s CPU 0.47s WALL ( 1 calls) electrons : 326.98s CPU 329.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.07s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 326.98s CPU 329.15s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 424 calls) cegterg : 309.44s CPU 311.46s WALL ( 1000 calls) Called by sum_band: Called by *egterg: h_psi : 261.97s CPU 268.37s WALL ( 17895 calls) s_psi : 2.54s CPU 3.59s WALL ( 17895 calls) g_psi : 0.31s CPU 0.32s WALL ( 16471 calls) cdiaghg : 37.54s CPU 40.38s WALL ( 16895 calls) cegterg:over : 7.45s CPU 5.80s WALL ( 16471 calls) cegterg:upda : 1.64s CPU 1.81s WALL ( 16471 calls) cegterg:last : 1.09s CPU 1.39s WALL ( 3725 calls) Called by h_psi: h_psi:vloc : 259.52s CPU 261.77s WALL ( 17895 calls) h_psi:vnl : 2.42s CPU 6.38s WALL ( 17895 calls) add_vuspsi : 1.19s CPU 2.36s WALL ( 17895 calls) General routines calbec : 1.22s CPU 3.98s WALL ( 17895 calls) fft : 0.04s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 256.72s CPU 242.98s WALL ( 1315808 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.09s WALL ( 848 calls) Parallel routines fft_scatter : 239.52s CPU 128.90s WALL ( 1315831 calls) PWSCF : 5m42.18s CPU 5m53.33s WALL This run was terminated on: 14:14: 0 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. 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