Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 0:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgHg2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 78 44 12 1739 735 116 Max 79 45 13 1742 757 120 Sum 2813 1593 463 62625 26793 4255 bravais-lattice index = 14 lattice parameter (alat) = 9.7684 a.u. unit-cell volume = 437.3305 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.768389 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.724367 celldm(5)= -0.724367 celldm(6)= 0.448733 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.448733 0.893666 0.000000 ) a(3) = ( -0.724367 -0.446833 0.525008 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.502127 0.952367 ) b(2) = ( 0.000000 1.118987 0.952367 ) b(3) = ( 0.000000 0.000000 1.904733 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Hg 12.00 200.59000 Hg( 1.00) Mg 10.00 24.30500 Mg( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0000000 0.0000000 0.0164201), wk = 0.0026247 k( 3) = ( 0.0000000 0.0000000 0.0328402), wk = 0.0026247 k( 4) = ( 0.0000000 0.0000000 0.0492603), wk = 0.0026247 k( 5) = ( 0.0000000 0.0000000 0.0656805), wk = 0.0026247 k( 6) = ( 0.0000000 0.0000000 0.0821006), wk = 0.0026247 k( 7) = ( 0.0000000 0.0000000 0.0985207), wk = 0.0026247 k( 8) = ( 0.0000000 0.0000000 0.1149408), wk = 0.0026247 k( 9) = ( 0.0000000 0.0000000 0.1313609), wk = 0.0026247 k( 10) = ( 0.0000000 0.0000000 0.1477810), wk = 0.0026247 k( 11) = ( 0.0000000 0.0000000 0.1642011), wk = 0.0026247 k( 12) = ( 0.0000000 0.0000000 0.1806212), wk = 0.0026247 k( 13) = ( 0.0000000 0.0000000 0.1970414), wk = 0.0026247 k( 14) = ( 0.0000000 0.0000000 0.2134615), wk = 0.0026247 k( 15) = ( 0.0000000 0.0000000 0.2298816), wk = 0.0026247 k( 16) = ( 0.0000000 0.0000000 0.2463017), wk = 0.0026247 k( 17) = ( 0.0000000 0.0000000 0.2627218), wk = 0.0026247 k( 18) = ( 0.0000000 0.0000000 0.2791419), wk = 0.0026247 k( 19) = ( 0.0000000 0.0000000 0.2955620), wk = 0.0026247 k( 20) = ( 0.0000000 0.0000000 0.3119821), wk = 0.0026247 k( 21) = ( 0.0000000 0.0000000 0.3284022), wk = 0.0026247 k( 22) = ( 0.0000000 0.0000000 0.3448224), wk = 0.0026247 k( 23) = ( 0.0000000 0.0000000 0.3612425), wk = 0.0026247 k( 24) = ( 0.0000000 0.0000000 0.3776626), wk = 0.0026247 k( 25) = ( 0.0000000 0.0000000 0.3940827), wk = 0.0026247 k( 26) = ( 0.0000000 0.0000000 0.4105028), wk = 0.0026247 k( 27) = ( 0.0000000 0.0000000 0.4269229), wk = 0.0026247 k( 28) = ( 0.0000000 0.0000000 0.4433430), wk = 0.0026247 k( 29) = ( 0.0000000 0.0000000 0.4597632), wk = 0.0026247 k( 30) = ( 0.0000000 0.0000000 0.4761833), wk = 0.0026247 k( 31) = ( 0.0000000 0.0000000 0.4926034), wk = 0.0026247 k( 32) = ( 0.0000000 0.0000000 0.5090235), wk = 0.0026247 k( 33) = ( 0.0000000 0.0000000 0.5254436), wk = 0.0026247 k( 34) = ( 0.0000000 0.0000000 0.5418637), wk = 0.0026247 k( 35) = ( 0.0000000 0.0000000 0.5582838), wk = 0.0026247 k( 36) = ( 0.0000000 0.0000000 0.5747039), wk = 0.0026247 k( 37) = ( 0.0000000 0.0000000 0.5911241), wk = 0.0026247 k( 38) = ( 0.0000000 0.0000000 0.6075442), wk = 0.0026247 k( 39) = ( 0.0000000 0.0000000 0.6239643), wk = 0.0026247 k( 40) = ( 0.0000000 0.0000000 0.6403844), wk = 0.0026247 k( 41) = ( 0.0000000 0.0000000 0.6568045), wk = 0.0026247 k( 42) = ( 0.0000000 0.0000000 0.6732246), wk = 0.0026247 k( 43) = ( 0.0000000 0.0000000 0.6896447), wk = 0.0026247 k( 44) = ( 0.0000000 0.0000000 0.7060649), wk = 0.0026247 k( 45) = ( 0.0000000 0.0000000 0.7224850), wk = 0.0026247 k( 46) = ( 0.0000000 0.0000000 0.7389051), wk = 0.0026247 k( 47) = ( 0.0000000 0.0000000 0.7553252), wk = 0.0026247 k( 48) = ( 0.0000000 0.0000000 0.7717453), wk = 0.0026247 k( 49) = ( 0.0000000 0.0000000 0.7881654), wk = 0.0026247 k( 50) = ( 0.0000000 0.0000000 0.8045855), wk = 0.0026247 k( 51) = ( 0.0000000 0.0000000 0.8210056), wk = 0.0026247 k( 52) = ( 0.0000000 0.0000000 0.8374257), wk = 0.0026247 k( 53) = ( 0.0000000 0.0000000 0.8538459), wk = 0.0026247 k( 54) = ( 0.0000000 0.0000000 0.8702660), wk = 0.0026247 k( 55) = ( 0.0000000 0.0000000 0.8866861), wk = 0.0026247 k( 56) = ( 0.0000000 0.0000000 0.9031062), wk = 0.0026247 k( 57) = ( 0.0000000 0.0000000 0.9195263), wk = 0.0026247 k( 58) = ( 0.0000000 0.0000000 0.9359464), wk = 0.0026247 k( 59) = ( 0.0000000 0.0000000 0.9523665), wk = 0.0026247 k( 60) = ( 0.0000000 0.0000000 0.9523665), wk = 0.0026247 k( 61) = ( -0.0079274 0.0128512 0.9523665), wk = 0.0026247 k( 62) = ( -0.0158549 0.0257025 0.9523665), wk = 0.0026247 k( 63) = ( -0.0237823 0.0385538 0.9523665), wk = 0.0026247 k( 64) = ( -0.0317097 0.0514050 0.9523665), wk = 0.0026247 k( 65) = ( -0.0396371 0.0642563 0.9523665), wk = 0.0026247 k( 66) = ( -0.0475645 0.0771075 0.9523665), wk = 0.0026247 k( 67) = ( -0.0554920 0.0899588 0.9523665), wk = 0.0026247 k( 68) = ( -0.0634194 0.1028100 0.9523665), wk = 0.0026247 k( 69) = ( -0.0713468 0.1156613 0.9523665), wk = 0.0026247 k( 70) = ( -0.0792742 0.1285125 0.9523665), wk = 0.0026247 k( 71) = ( -0.0872017 0.1413638 0.9523665), wk = 0.0026247 k( 72) = ( -0.0951291 0.1542150 0.9523665), wk = 0.0026247 k( 73) = ( -0.0951291 0.1542150 0.9523665), wk = 0.0026247 k( 74) = ( -0.1010831 0.1638671 0.9410258), wk = 0.0026247 k( 75) = ( -0.1070370 0.1735192 0.9296850), wk = 0.0026247 k( 76) = ( -0.1129910 0.1831713 0.9183443), wk = 0.0026247 k( 77) = ( -0.1189450 0.1928233 0.9070035), wk = 0.0026247 k( 78) = ( -0.1248990 0.2024754 0.8956628), wk = 0.0026247 k( 79) = ( -0.1308530 0.2121275 0.8843220), wk = 0.0026247 k( 80) = ( -0.1368070 0.2217796 0.8729813), wk = 0.0026247 k( 81) = ( -0.1427610 0.2314317 0.8616405), wk = 0.0026247 k( 82) = ( -0.1487149 0.2410838 0.8502998), wk = 0.0026247 k( 83) = ( -0.1546689 0.2507358 0.8389590), wk = 0.0026247 k( 84) = ( -0.1606229 0.2603879 0.8276183), wk = 0.0026247 k( 85) = ( -0.1665769 0.2700400 0.8162775), wk = 0.0026247 k( 86) = ( -0.1725309 0.2796921 0.8049368), wk = 0.0026247 k( 87) = ( -0.1784849 0.2893442 0.7935960), wk = 0.0026247 k( 88) = ( -0.1844388 0.2989962 0.7822553), wk = 0.0026247 k( 89) = ( -0.1903928 0.3086483 0.7709145), wk = 0.0026247 k( 90) = ( -0.1963468 0.3183004 0.7595738), wk = 0.0026247 k( 91) = ( -0.2023008 0.3279525 0.7482330), wk = 0.0026247 k( 92) = ( -0.2082548 0.3376046 0.7368923), wk = 0.0026247 k( 93) = ( -0.2142088 0.3472567 0.7255515), wk = 0.0026247 k( 94) = ( -0.2201627 0.3569087 0.7142108), wk = 0.0026247 k( 95) = ( -0.2261167 0.3665608 0.7028700), wk = 0.0026247 k( 96) = ( -0.2320707 0.3762129 0.6915293), wk = 0.0026247 k( 97) = ( -0.2380247 0.3858650 0.6801885), wk = 0.0026247 k( 98) = ( -0.2439787 0.3955171 0.6688478), wk = 0.0026247 k( 99) = ( -0.2499327 0.4051692 0.6575070), wk = 0.0026247 k( 100) = ( -0.2558866 0.4148212 0.6461663), wk = 0.0026247 k( 101) = ( -0.2618406 0.4244733 0.6348255), wk = 0.0026247 k( 102) = ( -0.2677946 0.4341254 0.6234848), wk = 0.0026247 k( 103) = ( -0.2737486 0.4437775 0.6121440), wk = 0.0026247 k( 104) = ( -0.2797026 0.4534296 0.6008033), wk = 0.0026247 k( 105) = ( -0.2856566 0.4630816 0.5894625), wk = 0.0026247 k( 106) = ( -0.2916106 0.4727337 0.5781218), wk = 0.0026247 k( 107) = ( -0.2975645 0.4823858 0.5667810), wk = 0.0026247 k( 108) = ( -0.2975645 0.4823858 0.5667810), wk = 0.0026247 k( 109) = ( -0.2914918 0.4725412 0.5552141), wk = 0.0026247 k( 110) = ( -0.2854191 0.4626966 0.5436471), wk = 0.0026247 k( 111) = ( -0.2793463 0.4528520 0.5320801), wk = 0.0026247 k( 112) = ( -0.2732736 0.4430074 0.5205132), wk = 0.0026247 k( 113) = ( -0.2672008 0.4331628 0.5089462), wk = 0.0026247 k( 114) = ( -0.2611281 0.4233182 0.4973793), wk = 0.0026247 k( 115) = ( -0.2550553 0.4134736 0.4858123), wk = 0.0026247 k( 116) = ( -0.2489826 0.4036290 0.4742454), wk = 0.0026247 k( 117) = ( -0.2429098 0.3937843 0.4626784), wk = 0.0026247 k( 118) = ( -0.2368371 0.3839397 0.4511114), wk = 0.0026247 k( 119) = ( -0.2307643 0.3740951 0.4395445), wk = 0.0026247 k( 120) = ( -0.2246916 0.3642505 0.4279775), wk = 0.0026247 k( 121) = ( -0.2186189 0.3544059 0.4164106), wk = 0.0026247 k( 122) = ( -0.2125461 0.3445613 0.4048436), wk = 0.0026247 k( 123) = ( -0.2064734 0.3347167 0.3932766), wk = 0.0026247 k( 124) = ( -0.2004006 0.3248721 0.3817097), wk = 0.0026247 k( 125) = ( -0.1943279 0.3150275 0.3701427), wk = 0.0026247 k( 126) = ( -0.1882551 0.3051829 0.3585758), wk = 0.0026247 k( 127) = ( -0.1821824 0.2953382 0.3470088), wk = 0.0026247 k( 128) = ( -0.1761096 0.2854937 0.3354418), wk = 0.0026247 k( 129) = ( -0.1700369 0.2756490 0.3238749), wk = 0.0026247 k( 130) = ( -0.1639641 0.2658044 0.3123079), wk = 0.0026247 k( 131) = ( -0.1578914 0.2559598 0.3007410), wk = 0.0026247 k( 132) = ( -0.1518186 0.2461152 0.2891740), wk = 0.0026247 k( 133) = ( -0.1457459 0.2362706 0.2776070), wk = 0.0026247 k( 134) = ( -0.1396731 0.2264260 0.2660401), wk = 0.0026247 k( 135) = ( -0.1336004 0.2165814 0.2544731), wk = 0.0026247 k( 136) = ( -0.1275277 0.2067368 0.2429062), wk = 0.0026247 k( 137) = ( -0.1214549 0.1968922 0.2313392), wk = 0.0026247 k( 138) = ( -0.1153822 0.1870476 0.2197722), wk = 0.0026247 k( 139) = ( -0.1093094 0.1772029 0.2082053), wk = 0.0026247 k( 140) = ( -0.1032367 0.1673583 0.1966383), wk = 0.0026247 k( 141) = ( -0.0971639 0.1575137 0.1850714), wk = 0.0026247 k( 142) = ( -0.0910912 0.1476691 0.1735044), wk = 0.0026247 k( 143) = ( -0.0850184 0.1378245 0.1619374), wk = 0.0026247 k( 144) = ( -0.0789457 0.1279799 0.1503705), wk = 0.0026247 k( 145) = ( -0.0728730 0.1181353 0.1388035), wk = 0.0026247 k( 146) = ( -0.0668002 0.1082907 0.1272366), wk = 0.0026247 k( 147) = ( -0.0607275 0.0984461 0.1156696), wk = 0.0026247 k( 148) = ( -0.0546547 0.0886015 0.1041026), wk = 0.0026247 k( 149) = ( -0.0485820 0.0787569 0.0925357), wk = 0.0026247 k( 150) = ( -0.0425092 0.0689123 0.0809687), wk = 0.0026247 k( 151) = ( -0.0364365 0.0590676 0.0694017), wk = 0.0026247 k( 152) = ( -0.0303637 0.0492230 0.0578348), wk = 0.0026247 k( 153) = ( -0.0242910 0.0393784 0.0462678), wk = 0.0026247 k( 154) = ( -0.0182182 0.0295338 0.0347009), wk = 0.0026247 k( 155) = ( -0.0121455 0.0196892 0.0231339), wk = 0.0026247 k( 156) = ( -0.0060728 0.0098446 0.0115670), wk = 0.0026247 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 159) = ( 0.0138889 0.0085675 0.0000000), wk = 0.0026247 k( 160) = ( 0.0277778 0.0171350 0.0000000), wk = 0.0026247 k( 161) = ( 0.0416667 0.0257025 0.0000000), wk = 0.0026247 k( 162) = ( 0.0555556 0.0342700 0.0000000), wk = 0.0026247 k( 163) = ( 0.0694444 0.0428375 -0.0000000), wk = 0.0026247 k( 164) = ( 0.0833333 0.0514050 -0.0000000), wk = 0.0026247 k( 165) = ( 0.0972222 0.0599725 -0.0000000), wk = 0.0026247 k( 166) = ( 0.1111111 0.0685400 -0.0000000), wk = 0.0026247 k( 167) = ( 0.1250000 0.0771075 0.0000000), wk = 0.0026247 k( 168) = ( 0.1388889 0.0856750 -0.0000000), wk = 0.0026247 k( 169) = ( 0.1527778 0.0942425 0.0000000), wk = 0.0026247 k( 170) = ( 0.1666667 0.1028100 -0.0000000), wk = 0.0026247 k( 171) = ( 0.1805556 0.1113775 0.0000000), wk = 0.0026247 k( 172) = ( 0.1944444 0.1199450 -0.0000000), wk = 0.0026247 k( 173) = ( 0.2083333 0.1285125 -0.0000000), wk = 0.0026247 k( 174) = ( 0.2222222 0.1370800 -0.0000000), wk = 0.0026247 k( 175) = ( 0.2361111 0.1456475 -0.0000000), wk = 0.0026247 k( 176) = ( 0.2500000 0.1542150 0.0000000), wk = 0.0026247 k( 177) = ( 0.2638889 0.1627825 -0.0000000), wk = 0.0026247 k( 178) = ( 0.2777778 0.1713500 -0.0000000), wk = 0.0026247 k( 179) = ( 0.2916667 0.1799175 0.0000000), wk = 0.0026247 k( 180) = ( 0.3055556 0.1884850 0.0000000), wk = 0.0026247 k( 181) = ( 0.3194444 0.1970525 0.0000000), wk = 0.0026247 k( 182) = ( 0.3333333 0.2056200 0.0000000), wk = 0.0026247 k( 183) = ( 0.3472222 0.2141875 -0.0000000), wk = 0.0026247 k( 184) = ( 0.3611111 0.2227550 0.0000000), wk = 0.0026247 k( 185) = ( 0.3750000 0.2313225 0.0000000), wk = 0.0026247 k( 186) = ( 0.3888889 0.2398900 -0.0000000), wk = 0.0026247 k( 187) = ( 0.4027778 0.2484575 -0.0000000), wk = 0.0026247 k( 188) = ( 0.4166667 0.2570250 0.0000000), wk = 0.0026247 k( 189) = ( 0.4305556 0.2655925 0.0000000), wk = 0.0026247 k( 190) = ( 0.4444444 0.2741600 -0.0000000), wk = 0.0026247 k( 191) = ( 0.4583333 0.2827275 0.0000000), wk = 0.0026247 k( 192) = ( 0.4722222 0.2912950 -0.0000000), wk = 0.0026247 k( 193) = ( 0.4861111 0.2998625 -0.0000000), wk = 0.0026247 k( 194) = ( 0.5000000 0.3084300 0.0000000), wk = 0.0026247 k( 195) = ( 0.5000000 0.3084300 0.0000000), wk = 0.0026247 k( 196) = ( 0.4940460 0.3180821 0.0113407), wk = 0.0026247 k( 197) = ( 0.4880920 0.3277342 0.0226815), wk = 0.0026247 k( 198) = ( 0.4821380 0.3373863 0.0340222), wk = 0.0026247 k( 199) = ( 0.4761841 0.3470384 0.0453630), wk = 0.0026247 k( 200) = ( 0.4702301 0.3566904 0.0567038), wk = 0.0026247 k( 201) = ( 0.4642761 0.3663425 0.0680445), wk = 0.0026247 k( 202) = ( 0.4583221 0.3759946 0.0793853), wk = 0.0026247 k( 203) = ( 0.4523681 0.3856467 0.0907260), wk = 0.0026247 k( 204) = ( 0.4464141 0.3952988 0.1020668), wk = 0.0026247 k( 205) = ( 0.4404602 0.4049509 0.1134075), wk = 0.0026247 k( 206) = ( 0.4345062 0.4146029 0.1247482), wk = 0.0026247 k( 207) = ( 0.4285522 0.4242550 0.1360890), wk = 0.0026247 k( 208) = ( 0.4225982 0.4339071 0.1474297), wk = 0.0026247 k( 209) = ( 0.4166442 0.4435592 0.1587705), wk = 0.0026247 k( 210) = ( 0.4106902 0.4532113 0.1701113), wk = 0.0026247 k( 211) = ( 0.4047363 0.4628634 0.1814520), wk = 0.0026247 k( 212) = ( 0.3987823 0.4725154 0.1927928), wk = 0.0026247 k( 213) = ( 0.3928283 0.4821675 0.2041335), wk = 0.0026247 k( 214) = ( 0.3868743 0.4918196 0.2154743), wk = 0.0026247 k( 215) = ( 0.3809203 0.5014717 0.2268150), wk = 0.0026247 k( 216) = ( 0.3749663 0.5111238 0.2381558), wk = 0.0026247 k( 217) = ( 0.3690123 0.5207758 0.2494965), wk = 0.0026247 k( 218) = ( 0.3630584 0.5304279 0.2608373), wk = 0.0026247 k( 219) = ( 0.3571044 0.5400800 0.2721780), wk = 0.0026247 k( 220) = ( 0.3511504 0.5497321 0.2835188), wk = 0.0026247 k( 221) = ( 0.3451964 0.5593842 0.2948595), wk = 0.0026247 k( 222) = ( 0.3392424 0.5690363 0.3062003), wk = 0.0026247 k( 223) = ( 0.3332885 0.5786883 0.3175410), wk = 0.0026247 k( 224) = ( 0.3273345 0.5883404 0.3288818), wk = 0.0026247 k( 225) = ( 0.3213805 0.5979925 0.3402225), wk = 0.0026247 k( 226) = ( 0.3154265 0.6076446 0.3515633), wk = 0.0026247 k( 227) = ( 0.3094725 0.6172967 0.3629040), wk = 0.0026247 k( 228) = ( 0.3035185 0.6269487 0.3742448), wk = 0.0026247 k( 229) = ( 0.2975645 0.6366008 0.3855855), wk = 0.0026247 k( 230) = ( 0.2975645 0.6366008 0.3855855), wk = 0.0026247 k( 231) = ( 0.2826863 0.6327455 0.3901154), wk = 0.0026247 k( 232) = ( 0.2678081 0.6288901 0.3946453), wk = 0.0026247 k( 233) = ( 0.2529299 0.6250347 0.3991752), wk = 0.0026247 k( 234) = ( 0.2380516 0.6211793 0.4037051), wk = 0.0026247 k( 235) = ( 0.2231734 0.6173239 0.4082349), wk = 0.0026247 k( 236) = ( 0.2082952 0.6134686 0.4127648), wk = 0.0026247 k( 237) = ( 0.1934170 0.6096132 0.4172947), wk = 0.0026247 k( 238) = ( 0.1785387 0.6057578 0.4218246), wk = 0.0026247 k( 239) = ( 0.1636605 0.6019024 0.4263545), wk = 0.0026247 k( 240) = ( 0.1487823 0.5980471 0.4308844), wk = 0.0026247 k( 241) = ( 0.1339040 0.5941917 0.4354143), wk = 0.0026247 k( 242) = ( 0.1190258 0.5903363 0.4399442), wk = 0.0026247 k( 243) = ( 0.1041476 0.5864809 0.4444741), wk = 0.0026247 k( 244) = ( 0.0892694 0.5826256 0.4490039), wk = 0.0026247 k( 245) = ( 0.0743911 0.5787702 0.4535338), wk = 0.0026247 k( 246) = ( 0.0595129 0.5749148 0.4580637), wk = 0.0026247 k( 247) = ( 0.0446347 0.5710594 0.4625936), wk = 0.0026247 k( 248) = ( 0.0297565 0.5672041 0.4671235), wk = 0.0026247 k( 249) = ( 0.0148782 0.5633487 0.4716534), wk = 0.0026247 k( 250) = ( 0.0000000 0.5594933 0.4761833), wk = 0.0026247 k( 251) = ( 0.0000000 0.5594933 0.4761833), wk = 0.0026247 k( 252) = ( 0.0060976 0.5496085 0.4877975), wk = 0.0026247 k( 253) = ( 0.0121951 0.5397237 0.4994117), wk = 0.0026247 k( 254) = ( 0.0182927 0.5298388 0.5110259), wk = 0.0026247 k( 255) = ( 0.0243902 0.5199540 0.5226402), wk = 0.0026247 k( 256) = ( 0.0304878 0.5100691 0.5342544), wk = 0.0026247 k( 257) = ( 0.0365854 0.5001843 0.5458686), wk = 0.0026247 k( 258) = ( 0.0426829 0.4902995 0.5574829), wk = 0.0026247 k( 259) = ( 0.0487805 0.4804146 0.5690971), wk = 0.0026247 k( 260) = ( 0.0548780 0.4705298 0.5807113), wk = 0.0026247 k( 261) = ( 0.0609756 0.4606450 0.5923255), wk = 0.0026247 k( 262) = ( 0.0670732 0.4507601 0.6039398), wk = 0.0026247 k( 263) = ( 0.0731707 0.4408753 0.6155540), wk = 0.0026247 k( 264) = ( 0.0792683 0.4309904 0.6271682), wk = 0.0026247 k( 265) = ( 0.0853658 0.4211056 0.6387824), wk = 0.0026247 k( 266) = ( 0.0914634 0.4112208 0.6503967), wk = 0.0026247 k( 267) = ( 0.0975610 0.4013359 0.6620109), wk = 0.0026247 k( 268) = ( 0.1036585 0.3914511 0.6736251), wk = 0.0026247 k( 269) = ( 0.1097561 0.3815663 0.6852393), wk = 0.0026247 k( 270) = ( 0.1158537 0.3716814 0.6968536), wk = 0.0026247 k( 271) = ( 0.1219512 0.3617966 0.7084678), wk = 0.0026247 k( 272) = ( 0.1280488 0.3519118 0.7200820), wk = 0.0026247 k( 273) = ( 0.1341463 0.3420269 0.7316962), wk = 0.0026247 k( 274) = ( 0.1402439 0.3321421 0.7433105), wk = 0.0026247 k( 275) = ( 0.1463415 0.3222572 0.7549247), wk = 0.0026247 k( 276) = ( 0.1524390 0.3123724 0.7665389), wk = 0.0026247 k( 277) = ( 0.1585366 0.3024876 0.7781532), wk = 0.0026247 k( 278) = ( 0.1646342 0.2926027 0.7897674), wk = 0.0026247 k( 279) = ( 0.1707317 0.2827179 0.8013816), wk = 0.0026247 k( 280) = ( 0.1768293 0.2728331 0.8129958), wk = 0.0026247 k( 281) = ( 0.1829268 0.2629482 0.8246101), wk = 0.0026247 k( 282) = ( 0.1890244 0.2530634 0.8362243), wk = 0.0026247 k( 283) = ( 0.1951219 0.2431785 0.8478385), wk = 0.0026247 k( 284) = ( 0.2012195 0.2332937 0.8594527), wk = 0.0026247 k( 285) = ( 0.2073171 0.2234089 0.8710670), wk = 0.0026247 k( 286) = ( 0.2134146 0.2135240 0.8826812), wk = 0.0026247 k( 287) = ( 0.2195122 0.2036392 0.8942954), wk = 0.0026247 k( 288) = ( 0.2256098 0.1937544 0.9059096), wk = 0.0026247 k( 289) = ( 0.2317073 0.1838695 0.9175239), wk = 0.0026247 k( 290) = ( 0.2378049 0.1739847 0.9291381), wk = 0.0026247 k( 291) = ( 0.2439024 0.1640998 0.9407523), wk = 0.0026247 k( 292) = ( 0.2500000 0.1542150 0.9523665), wk = 0.0026247 k( 293) = ( 0.2500000 0.1542150 0.9523665), wk = 0.0026247 k( 294) = ( 0.2619048 0.1615586 0.9437382), wk = 0.0026247 k( 295) = ( 0.2738095 0.1689022 0.9351098), wk = 0.0026247 k( 296) = ( 0.2857143 0.1762457 0.9264815), wk = 0.0026247 k( 297) = ( 0.2976190 0.1835893 0.9178531), wk = 0.0026247 k( 298) = ( 0.3095238 0.1909329 0.9092248), wk = 0.0026247 k( 299) = ( 0.3214286 0.1982764 0.9005964), wk = 0.0026247 k( 300) = ( 0.3333333 0.2056200 0.8919680), wk = 0.0026247 k( 301) = ( 0.3452381 0.2129636 0.8833397), wk = 0.0026247 k( 302) = ( 0.3571429 0.2203072 0.8747113), wk = 0.0026247 k( 303) = ( 0.3690476 0.2276507 0.8660830), wk = 0.0026247 k( 304) = ( 0.3809524 0.2349943 0.8574546), wk = 0.0026247 k( 305) = ( 0.3928571 0.2423379 0.8488262), wk = 0.0026247 k( 306) = ( 0.4047619 0.2496814 0.8401979), wk = 0.0026247 k( 307) = ( 0.4166667 0.2570250 0.8315695), wk = 0.0026247 k( 308) = ( 0.4285714 0.2643686 0.8229412), wk = 0.0026247 k( 309) = ( 0.4404762 0.2717122 0.8143128), wk = 0.0026247 k( 310) = ( 0.4523810 0.2790557 0.8056845), wk = 0.0026247 k( 311) = ( 0.4642857 0.2863993 0.7970561), wk = 0.0026247 k( 312) = ( 0.4761905 0.2937429 0.7884277), wk = 0.0026247 k( 313) = ( 0.4880952 0.3010865 0.7797994), wk = 0.0026247 k( 314) = ( 0.5000000 0.3084300 0.7711710), wk = 0.0026247 k( 315) = ( 0.5000000 0.3084300 0.7711710), wk = 0.0026247 k( 316) = ( 0.5000000 0.3084300 0.7547631), wk = 0.0026247 k( 317) = ( 0.5000000 0.3084300 0.7383552), wk = 0.0026247 k( 318) = ( 0.5000000 0.3084300 0.7219473), wk = 0.0026247 k( 319) = ( 0.5000000 0.3084300 0.7055395), wk = 0.0026247 k( 320) = ( 0.5000000 0.3084300 0.6891316), wk = 0.0026247 k( 321) = ( 0.5000000 0.3084300 0.6727237), wk = 0.0026247 k( 322) = ( 0.5000000 0.3084300 0.6563158), wk = 0.0026247 k( 323) = ( 0.5000000 0.3084300 0.6399079), wk = 0.0026247 k( 324) = ( 0.5000000 0.3084300 0.6235000), wk = 0.0026247 k( 325) = ( 0.5000000 0.3084300 0.6070921), wk = 0.0026247 k( 326) = ( 0.5000000 0.3084300 0.5906842), wk = 0.0026247 k( 327) = ( 0.5000000 0.3084300 0.5742763), wk = 0.0026247 k( 328) = ( 0.5000000 0.3084300 0.5578684), wk = 0.0026247 k( 329) = ( 0.5000000 0.3084300 0.5414605), wk = 0.0026247 k( 330) = ( 0.5000000 0.3084300 0.5250526), wk = 0.0026247 k( 331) = ( 0.5000000 0.3084300 0.5086447), wk = 0.0026247 k( 332) = ( 0.5000000 0.3084300 0.4922368), wk = 0.0026247 k( 333) = ( 0.5000000 0.3084300 0.4758289), wk = 0.0026247 k( 334) = ( 0.5000000 0.3084300 0.4594210), wk = 0.0026247 k( 335) = ( 0.5000000 0.3084300 0.4430131), wk = 0.0026247 k( 336) = ( 0.5000000 0.3084300 0.4266053), wk = 0.0026247 k( 337) = ( 0.5000000 0.3084300 0.4101974), wk = 0.0026247 k( 338) = ( 0.5000000 0.3084300 0.3937895), wk = 0.0026247 k( 339) = ( 0.5000000 0.3084300 0.3773816), wk = 0.0026247 k( 340) = ( 0.5000000 0.3084300 0.3609737), wk = 0.0026247 k( 341) = ( 0.5000000 0.3084300 0.3445658), wk = 0.0026247 k( 342) = ( 0.5000000 0.3084300 0.3281579), wk = 0.0026247 k( 343) = ( 0.5000000 0.3084300 0.3117500), wk = 0.0026247 k( 344) = ( 0.5000000 0.3084300 0.2953421), wk = 0.0026247 k( 345) = ( 0.5000000 0.3084300 0.2789342), wk = 0.0026247 k( 346) = ( 0.5000000 0.3084300 0.2625263), wk = 0.0026247 k( 347) = ( 0.5000000 0.3084300 0.2461184), wk = 0.0026247 k( 348) = ( 0.5000000 0.3084300 0.2297105), wk = 0.0026247 k( 349) = ( 0.5000000 0.3084300 0.2133026), wk = 0.0026247 k( 350) = ( 0.5000000 0.3084300 0.1968947), wk = 0.0026247 k( 351) = ( 0.5000000 0.3084300 0.1804868), wk = 0.0026247 k( 352) = ( 0.5000000 0.3084300 0.1640789), wk = 0.0026247 k( 353) = ( 0.5000000 0.3084300 0.1476710), wk = 0.0026247 k( 354) = ( 0.5000000 0.3084300 0.1312632), wk = 0.0026247 k( 355) = ( 0.5000000 0.3084300 0.1148553), wk = 0.0026247 k( 356) = ( 0.5000000 0.3084300 0.0984474), wk = 0.0026247 k( 357) = ( 0.5000000 0.3084300 0.0820395), wk = 0.0026247 k( 358) = ( 0.5000000 0.3084300 0.0656316), wk = 0.0026247 k( 359) = ( 0.5000000 0.3084300 0.0492237), wk = 0.0026247 k( 360) = ( 0.5000000 0.3084300 0.0328158), wk = 0.0026247 k( 361) = ( 0.5000000 0.3084300 0.0164079), wk = 0.0026247 k( 362) = ( 0.5000000 0.3084300 0.0000000), wk = 0.0026247 k( 363) = ( 0.0000000 0.0000000 0.9523665), wk = 0.0026247 k( 364) = ( 0.0138889 0.0085675 0.9523665), wk = 0.0026247 k( 365) = ( 0.0277778 0.0171350 0.9523665), wk = 0.0026247 k( 366) = ( 0.0416667 0.0257025 0.9523665), wk = 0.0026247 k( 367) = ( 0.0555556 0.0342700 0.9523665), wk = 0.0026247 k( 368) = ( 0.0694444 0.0428375 0.9523665), wk = 0.0026247 k( 369) = ( 0.0833333 0.0514050 0.9523665), wk = 0.0026247 k( 370) = ( 0.0972222 0.0599725 0.9523665), wk = 0.0026247 k( 371) = ( 0.1111111 0.0685400 0.9523665), wk = 0.0026247 k( 372) = ( 0.1250000 0.0771075 0.9523665), wk = 0.0026247 k( 373) = ( 0.1388889 0.0856750 0.9523665), wk = 0.0026247 k( 374) = ( 0.1527778 0.0942425 0.9523665), wk = 0.0026247 k( 375) = ( 0.1666667 0.1028100 0.9523665), wk = 0.0026247 k( 376) = ( 0.1805556 0.1113775 0.9523665), wk = 0.0026247 k( 377) = ( 0.1944444 0.1199450 0.9523665), wk = 0.0026247 k( 378) = ( 0.2083333 0.1285125 0.9523665), wk = 0.0026247 k( 379) = ( 0.2222222 0.1370800 0.9523665), wk = 0.0026247 k( 380) = ( 0.2361111 0.1456475 0.9523665), wk = 0.0026247 k( 381) = ( 0.2500000 0.1542150 0.9523665), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0026247 k( 3) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0026247 k( 4) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0026247 k( 5) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0026247 k( 6) = ( 0.0000000 0.0000000 0.0431035), wk = 0.0026247 k( 7) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0026247 k( 8) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0026247 k( 9) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0026247 k( 10) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0026247 k( 11) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0026247 k( 12) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0026247 k( 13) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0026247 k( 14) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0026247 k( 15) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0026247 k( 16) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0026247 k( 17) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0026247 k( 18) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0026247 k( 19) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0026247 k( 20) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0026247 k( 21) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0026247 k( 22) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0026247 k( 23) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0026247 k( 24) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0026247 k( 25) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0026247 k( 26) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0026247 k( 27) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0026247 k( 28) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0026247 k( 29) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0026247 k( 30) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026247 k( 31) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0026247 k( 32) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0026247 k( 33) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0026247 k( 34) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0026247 k( 35) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0026247 k( 36) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0026247 k( 37) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0026247 k( 38) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0026247 k( 39) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0026247 k( 40) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0026247 k( 41) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0026247 k( 42) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0026247 k( 43) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0026247 k( 44) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0026247 k( 45) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0026247 k( 46) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0026247 k( 47) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0026247 k( 48) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0026247 k( 49) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0026247 k( 50) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0026247 k( 51) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0026247 k( 52) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0026247 k( 53) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0026247 k( 54) = ( 0.0000000 0.0000000 0.4568966), wk = 0.0026247 k( 55) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0026247 k( 56) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0026247 k( 57) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0026247 k( 58) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0026247 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026247 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026247 k( 61) = ( -0.0079274 0.0079274 0.5000000), wk = 0.0026247 k( 62) = ( -0.0158549 0.0158549 0.5000000), wk = 0.0026247 k( 63) = ( -0.0237823 0.0237823 0.5000000), wk = 0.0026247 k( 64) = ( -0.0317097 0.0317097 0.5000000), wk = 0.0026247 k( 65) = ( -0.0396371 0.0396371 0.5000000), wk = 0.0026247 k( 66) = ( -0.0475645 0.0475645 0.5000000), wk = 0.0026247 k( 67) = ( -0.0554920 0.0554920 0.5000000), wk = 0.0026247 k( 68) = ( -0.0634194 0.0634194 0.5000000), wk = 0.0026247 k( 69) = ( -0.0713468 0.0713468 0.5000000), wk = 0.0026247 k( 70) = ( -0.0792742 0.0792742 0.5000000), wk = 0.0026247 k( 71) = ( -0.0872017 0.0872017 0.5000000), wk = 0.0026247 k( 72) = ( -0.0951291 0.0951291 0.5000000), wk = 0.0026247 k( 73) = ( -0.0951291 0.0951291 0.5000000), wk = 0.0026247 k( 74) = ( -0.1010831 0.1010831 0.4940460), wk = 0.0026247 k( 75) = ( -0.1070370 0.1070371 0.4880920), wk = 0.0026247 k( 76) = ( -0.1129910 0.1129910 0.4821381), wk = 0.0026247 k( 77) = ( -0.1189450 0.1189450 0.4761841), wk = 0.0026247 k( 78) = ( -0.1248990 0.1248990 0.4702301), wk = 0.0026247 k( 79) = ( -0.1308530 0.1308530 0.4642761), wk = 0.0026247 k( 80) = ( -0.1368070 0.1368070 0.4583221), wk = 0.0026247 k( 81) = ( -0.1427610 0.1427610 0.4523681), wk = 0.0026247 k( 82) = ( -0.1487149 0.1487149 0.4464141), wk = 0.0026247 k( 83) = ( -0.1546689 0.1546689 0.4404602), wk = 0.0026247 k( 84) = ( -0.1606229 0.1606229 0.4345062), wk = 0.0026247 k( 85) = ( -0.1665769 0.1665769 0.4285522), wk = 0.0026247 k( 86) = ( -0.1725309 0.1725309 0.4225982), wk = 0.0026247 k( 87) = ( -0.1784849 0.1784849 0.4166442), wk = 0.0026247 k( 88) = ( -0.1844388 0.1844388 0.4106902), wk = 0.0026247 k( 89) = ( -0.1903928 0.1903928 0.4047363), wk = 0.0026247 k( 90) = ( -0.1963468 0.1963468 0.3987823), wk = 0.0026247 k( 91) = ( -0.2023008 0.2023008 0.3928283), wk = 0.0026247 k( 92) = ( -0.2082548 0.2082548 0.3868743), wk = 0.0026247 k( 93) = ( -0.2142088 0.2142088 0.3809203), wk = 0.0026247 k( 94) = ( -0.2201627 0.2201627 0.3749663), wk = 0.0026247 k( 95) = ( -0.2261167 0.2261167 0.3690123), wk = 0.0026247 k( 96) = ( -0.2320707 0.2320707 0.3630584), wk = 0.0026247 k( 97) = ( -0.2380247 0.2380247 0.3571044), wk = 0.0026247 k( 98) = ( -0.2439787 0.2439787 0.3511504), wk = 0.0026247 k( 99) = ( -0.2499327 0.2499327 0.3451964), wk = 0.0026247 k( 100) = ( -0.2558866 0.2558867 0.3392424), wk = 0.0026247 k( 101) = ( -0.2618406 0.2618406 0.3332885), wk = 0.0026247 k( 102) = ( -0.2677946 0.2677946 0.3273345), wk = 0.0026247 k( 103) = ( -0.2737486 0.2737486 0.3213805), wk = 0.0026247 k( 104) = ( -0.2797026 0.2797026 0.3154265), wk = 0.0026247 k( 105) = ( -0.2856566 0.2856566 0.3094725), wk = 0.0026247 k( 106) = ( -0.2916106 0.2916106 0.3035185), wk = 0.0026247 k( 107) = ( -0.2975645 0.2975645 0.2975645), wk = 0.0026247 k( 108) = ( -0.2975645 0.2975645 0.2975645), wk = 0.0026247 k( 109) = ( -0.2914918 0.2914918 0.2914918), wk = 0.0026247 k( 110) = ( -0.2854191 0.2854191 0.2854191), wk = 0.0026247 k( 111) = ( -0.2793463 0.2793463 0.2793463), wk = 0.0026247 k( 112) = ( -0.2732736 0.2732736 0.2732736), wk = 0.0026247 k( 113) = ( -0.2672008 0.2672008 0.2672008), wk = 0.0026247 k( 114) = ( -0.2611281 0.2611281 0.2611281), wk = 0.0026247 k( 115) = ( -0.2550553 0.2550553 0.2550553), wk = 0.0026247 k( 116) = ( -0.2489826 0.2489826 0.2489826), wk = 0.0026247 k( 117) = ( -0.2429098 0.2429098 0.2429098), wk = 0.0026247 k( 118) = ( -0.2368371 0.2368371 0.2368371), wk = 0.0026247 k( 119) = ( -0.2307643 0.2307643 0.2307643), wk = 0.0026247 k( 120) = ( -0.2246916 0.2246916 0.2246916), wk = 0.0026247 k( 121) = ( -0.2186189 0.2186188 0.2186188), wk = 0.0026247 k( 122) = ( -0.2125461 0.2125461 0.2125461), wk = 0.0026247 k( 123) = ( -0.2064734 0.2064734 0.2064734), wk = 0.0026247 k( 124) = ( -0.2004006 0.2004006 0.2004006), wk = 0.0026247 k( 125) = ( -0.1943279 0.1943279 0.1943279), wk = 0.0026247 k( 126) = ( -0.1882551 0.1882551 0.1882551), wk = 0.0026247 k( 127) = ( -0.1821824 0.1821824 0.1821824), wk = 0.0026247 k( 128) = ( -0.1761096 0.1761096 0.1761096), wk = 0.0026247 k( 129) = ( -0.1700369 0.1700369 0.1700369), wk = 0.0026247 k( 130) = ( -0.1639641 0.1639641 0.1639641), wk = 0.0026247 k( 131) = ( -0.1578914 0.1578914 0.1578914), wk = 0.0026247 k( 132) = ( -0.1518186 0.1518186 0.1518186), wk = 0.0026247 k( 133) = ( -0.1457459 0.1457459 0.1457459), wk = 0.0026247 k( 134) = ( -0.1396731 0.1396732 0.1396731), wk = 0.0026247 k( 135) = ( -0.1336004 0.1336004 0.1336004), wk = 0.0026247 k( 136) = ( -0.1275277 0.1275277 0.1275277), wk = 0.0026247 k( 137) = ( -0.1214549 0.1214549 0.1214549), wk = 0.0026247 k( 138) = ( -0.1153822 0.1153822 0.1153822), wk = 0.0026247 k( 139) = ( -0.1093094 0.1093094 0.1093094), wk = 0.0026247 k( 140) = ( -0.1032367 0.1032367 0.1032367), wk = 0.0026247 k( 141) = ( -0.0971639 0.0971639 0.0971639), wk = 0.0026247 k( 142) = ( -0.0910912 0.0910912 0.0910912), wk = 0.0026247 k( 143) = ( -0.0850184 0.0850184 0.0850184), wk = 0.0026247 k( 144) = ( -0.0789457 0.0789457 0.0789457), wk = 0.0026247 k( 145) = ( -0.0728730 0.0728730 0.0728730), wk = 0.0026247 k( 146) = ( -0.0668002 0.0668002 0.0668002), wk = 0.0026247 k( 147) = ( -0.0607275 0.0607275 0.0607275), wk = 0.0026247 k( 148) = ( -0.0546547 0.0546547 0.0546547), wk = 0.0026247 k( 149) = ( -0.0485820 0.0485820 0.0485820), wk = 0.0026247 k( 150) = ( -0.0425092 0.0425092 0.0425092), wk = 0.0026247 k( 151) = ( -0.0364365 0.0364365 0.0364365), wk = 0.0026247 k( 152) = ( -0.0303637 0.0303637 0.0303637), wk = 0.0026247 k( 153) = ( -0.0242910 0.0242910 0.0242910), wk = 0.0026247 k( 154) = ( -0.0182182 0.0182182 0.0182182), wk = 0.0026247 k( 155) = ( -0.0121455 0.0121455 0.0121455), wk = 0.0026247 k( 156) = ( -0.0060728 0.0060728 0.0060727), wk = 0.0026247 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 159) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0026247 k( 160) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0026247 k( 161) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026247 k( 162) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0026247 k( 163) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0026247 k( 164) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026247 k( 165) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0026247 k( 166) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0026247 k( 167) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026247 k( 168) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0026247 k( 169) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0026247 k( 170) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026247 k( 171) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0026247 k( 172) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0026247 k( 173) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026247 k( 174) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0026247 k( 175) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0026247 k( 176) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026247 k( 177) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0026247 k( 178) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0026247 k( 179) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026247 k( 180) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0026247 k( 181) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0026247 k( 182) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026247 k( 183) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0026247 k( 184) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0026247 k( 185) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026247 k( 186) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0026247 k( 187) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0026247 k( 188) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026247 k( 189) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0026247 k( 190) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0026247 k( 191) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026247 k( 192) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0026247 k( 193) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0026247 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026247 k( 195) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026247 k( 196) = ( 0.4940460 0.5059540 -0.4940460), wk = 0.0026247 k( 197) = ( 0.4880920 0.5119080 -0.4880920), wk = 0.0026247 k( 198) = ( 0.4821380 0.5178620 -0.4821380), wk = 0.0026247 k( 199) = ( 0.4761841 0.5238159 -0.4761841), wk = 0.0026247 k( 200) = ( 0.4702301 0.5297699 -0.4702301), wk = 0.0026247 k( 201) = ( 0.4642761 0.5357239 -0.4642761), wk = 0.0026247 k( 202) = ( 0.4583221 0.5416779 -0.4583221), wk = 0.0026247 k( 203) = ( 0.4523681 0.5476319 -0.4523681), wk = 0.0026247 k( 204) = ( 0.4464141 0.5535859 -0.4464141), wk = 0.0026247 k( 205) = ( 0.4404602 0.5595398 -0.4404602), wk = 0.0026247 k( 206) = ( 0.4345062 0.5654938 -0.4345062), wk = 0.0026247 k( 207) = ( 0.4285522 0.5714478 -0.4285522), wk = 0.0026247 k( 208) = ( 0.4225982 0.5774018 -0.4225982), wk = 0.0026247 k( 209) = ( 0.4166442 0.5833558 -0.4166442), wk = 0.0026247 k( 210) = ( 0.4106902 0.5893098 -0.4106902), wk = 0.0026247 k( 211) = ( 0.4047363 0.5952637 -0.4047363), wk = 0.0026247 k( 212) = ( 0.3987823 0.6012177 -0.3987823), wk = 0.0026247 k( 213) = ( 0.3928283 0.6071717 -0.3928283), wk = 0.0026247 k( 214) = ( 0.3868743 0.6131257 -0.3868743), wk = 0.0026247 k( 215) = ( 0.3809203 0.6190797 -0.3809203), wk = 0.0026247 k( 216) = ( 0.3749663 0.6250337 -0.3749663), wk = 0.0026247 k( 217) = ( 0.3690123 0.6309876 -0.3690123), wk = 0.0026247 k( 218) = ( 0.3630584 0.6369416 -0.3630584), wk = 0.0026247 k( 219) = ( 0.3571044 0.6428956 -0.3571044), wk = 0.0026247 k( 220) = ( 0.3511504 0.6488496 -0.3511504), wk = 0.0026247 k( 221) = ( 0.3451964 0.6548036 -0.3451964), wk = 0.0026247 k( 222) = ( 0.3392424 0.6607576 -0.3392424), wk = 0.0026247 k( 223) = ( 0.3332885 0.6667116 -0.3332884), wk = 0.0026247 k( 224) = ( 0.3273345 0.6726655 -0.3273345), wk = 0.0026247 k( 225) = ( 0.3213805 0.6786195 -0.3213805), wk = 0.0026247 k( 226) = ( 0.3154265 0.6845735 -0.3154265), wk = 0.0026247 k( 227) = ( 0.3094725 0.6905275 -0.3094725), wk = 0.0026247 k( 228) = ( 0.3035185 0.6964815 -0.3035185), wk = 0.0026247 k( 229) = ( 0.2975645 0.7024355 -0.2975645), wk = 0.0026247 k( 230) = ( 0.2975645 0.7024355 -0.2975645), wk = 0.0026247 k( 231) = ( 0.2826863 0.6923137 -0.2826863), wk = 0.0026247 k( 232) = ( 0.2678081 0.6821919 -0.2678081), wk = 0.0026247 k( 233) = ( 0.2529299 0.6720701 -0.2529299), wk = 0.0026247 k( 234) = ( 0.2380516 0.6619484 -0.2380516), wk = 0.0026247 k( 235) = ( 0.2231734 0.6518266 -0.2231734), wk = 0.0026247 k( 236) = ( 0.2082952 0.6417048 -0.2082952), wk = 0.0026247 k( 237) = ( 0.1934170 0.6315831 -0.1934169), wk = 0.0026247 k( 238) = ( 0.1785387 0.6214613 -0.1785387), wk = 0.0026247 k( 239) = ( 0.1636605 0.6113395 -0.1636605), wk = 0.0026247 k( 240) = ( 0.1487823 0.6012177 -0.1487823), wk = 0.0026247 k( 241) = ( 0.1339040 0.5910960 -0.1339040), wk = 0.0026247 k( 242) = ( 0.1190258 0.5809742 -0.1190258), wk = 0.0026247 k( 243) = ( 0.1041476 0.5708524 -0.1041476), wk = 0.0026247 k( 244) = ( 0.0892694 0.5607306 -0.0892694), wk = 0.0026247 k( 245) = ( 0.0743911 0.5506089 -0.0743911), wk = 0.0026247 k( 246) = ( 0.0595129 0.5404871 -0.0595129), wk = 0.0026247 k( 247) = ( 0.0446347 0.5303653 -0.0446347), wk = 0.0026247 k( 248) = ( 0.0297565 0.5202435 -0.0297564), wk = 0.0026247 k( 249) = ( 0.0148782 0.5101218 -0.0148782), wk = 0.0026247 k( 250) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026247 k( 251) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026247 k( 252) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0026247 k( 253) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0026247 k( 254) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0026247 k( 255) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0026247 k( 256) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0026247 k( 257) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0026247 k( 258) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0026247 k( 259) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0026247 k( 260) = ( 0.0548780 0.4451220 0.0548781), wk = 0.0026247 k( 261) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0026247 k( 262) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0026247 k( 263) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0026247 k( 264) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0026247 k( 265) = ( 0.0853658 0.4146341 0.0853659), wk = 0.0026247 k( 266) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0026247 k( 267) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0026247 k( 268) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0026247 k( 269) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0026247 k( 270) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0026247 k( 271) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0026247 k( 272) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0026247 k( 273) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0026247 k( 274) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0026247 k( 275) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0026247 k( 276) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0026247 k( 277) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0026247 k( 278) = ( 0.1646342 0.3353659 0.1646341), wk = 0.0026247 k( 279) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0026247 k( 280) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0026247 k( 281) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0026247 k( 282) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0026247 k( 283) = ( 0.1951219 0.3048780 0.1951220), wk = 0.0026247 k( 284) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0026247 k( 285) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0026247 k( 286) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0026247 k( 287) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0026247 k( 288) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0026247 k( 289) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0026247 k( 290) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0026247 k( 291) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0026247 k( 292) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 k( 294) = ( 0.2619048 0.2619048 0.2335653), wk = 0.0026247 k( 295) = ( 0.2738095 0.2738095 0.2171306), wk = 0.0026247 k( 296) = ( 0.2857143 0.2857143 0.2006959), wk = 0.0026247 k( 297) = ( 0.2976190 0.2976190 0.1842611), wk = 0.0026247 k( 298) = ( 0.3095238 0.3095238 0.1678264), wk = 0.0026247 k( 299) = ( 0.3214286 0.3214286 0.1513917), wk = 0.0026247 k( 300) = ( 0.3333333 0.3333333 0.1349570), wk = 0.0026247 k( 301) = ( 0.3452381 0.3452381 0.1185223), wk = 0.0026247 k( 302) = ( 0.3571429 0.3571429 0.1020875), wk = 0.0026247 k( 303) = ( 0.3690476 0.3690476 0.0856528), wk = 0.0026247 k( 304) = ( 0.3809524 0.3809524 0.0692181), wk = 0.0026247 k( 305) = ( 0.3928571 0.3928571 0.0527834), wk = 0.0026247 k( 306) = ( 0.4047619 0.4047619 0.0363487), wk = 0.0026247 k( 307) = ( 0.4166667 0.4166667 0.0199139), wk = 0.0026247 k( 308) = ( 0.4285714 0.4285714 0.0034792), wk = 0.0026247 k( 309) = ( 0.4404762 0.4404762 -0.0129555), wk = 0.0026247 k( 310) = ( 0.4523810 0.4523809 -0.0293902), wk = 0.0026247 k( 311) = ( 0.4642857 0.4642857 -0.0458249), wk = 0.0026247 k( 312) = ( 0.4761905 0.4761905 -0.0622596), wk = 0.0026247 k( 313) = ( 0.4880952 0.4880952 -0.0786944), wk = 0.0026247 k( 314) = ( 0.5000000 0.5000000 -0.0951291), wk = 0.0026247 k( 315) = ( 0.5000000 0.5000000 -0.0951291), wk = 0.0026247 k( 316) = ( 0.5000000 0.5000000 -0.1037434), wk = 0.0026247 k( 317) = ( 0.5000000 0.5000000 -0.1123576), wk = 0.0026247 k( 318) = ( 0.5000000 0.5000000 -0.1209719), wk = 0.0026247 k( 319) = ( 0.5000000 0.5000000 -0.1295862), wk = 0.0026247 k( 320) = ( 0.5000000 0.5000000 -0.1382005), wk = 0.0026247 k( 321) = ( 0.5000000 0.5000000 -0.1468147), wk = 0.0026247 k( 322) = ( 0.5000000 0.5000000 -0.1554290), wk = 0.0026247 k( 323) = ( 0.5000000 0.5000000 -0.1640433), wk = 0.0026247 k( 324) = ( 0.5000000 0.5000000 -0.1726576), wk = 0.0026247 k( 325) = ( 0.5000000 0.5000000 -0.1812718), wk = 0.0026247 k( 326) = ( 0.5000000 0.5000000 -0.1898861), wk = 0.0026247 k( 327) = ( 0.5000000 0.5000000 -0.1985004), wk = 0.0026247 k( 328) = ( 0.5000000 0.5000000 -0.2071147), wk = 0.0026247 k( 329) = ( 0.5000000 0.5000000 -0.2157289), wk = 0.0026247 k( 330) = ( 0.5000000 0.5000000 -0.2243432), wk = 0.0026247 k( 331) = ( 0.5000000 0.5000000 -0.2329575), wk = 0.0026247 k( 332) = ( 0.5000000 0.5000000 -0.2415718), wk = 0.0026247 k( 333) = ( 0.5000000 0.5000000 -0.2501860), wk = 0.0026247 k( 334) = ( 0.5000000 0.5000000 -0.2588003), wk = 0.0026247 k( 335) = ( 0.5000000 0.5000000 -0.2674146), wk = 0.0026247 k( 336) = ( 0.5000000 0.5000000 -0.2760288), wk = 0.0026247 k( 337) = ( 0.5000000 0.5000000 -0.2846431), wk = 0.0026247 k( 338) = ( 0.5000000 0.5000000 -0.2932574), wk = 0.0026247 k( 339) = ( 0.5000000 0.5000000 -0.3018717), wk = 0.0026247 k( 340) = ( 0.5000000 0.5000000 -0.3104859), wk = 0.0026247 k( 341) = ( 0.5000000 0.5000000 -0.3191002), wk = 0.0026247 k( 342) = ( 0.5000000 0.5000000 -0.3277145), wk = 0.0026247 k( 343) = ( 0.5000000 0.5000000 -0.3363288), wk = 0.0026247 k( 344) = ( 0.5000000 0.5000000 -0.3449430), wk = 0.0026247 k( 345) = ( 0.5000000 0.5000000 -0.3535573), wk = 0.0026247 k( 346) = ( 0.5000000 0.5000000 -0.3621716), wk = 0.0026247 k( 347) = ( 0.5000000 0.5000000 -0.3707859), wk = 0.0026247 k( 348) = ( 0.5000000 0.5000000 -0.3794001), wk = 0.0026247 k( 349) = ( 0.5000000 0.5000000 -0.3880144), wk = 0.0026247 k( 350) = ( 0.5000000 0.5000000 -0.3966287), wk = 0.0026247 k( 351) = ( 0.5000000 0.5000000 -0.4052430), wk = 0.0026247 k( 352) = ( 0.5000000 0.5000000 -0.4138572), wk = 0.0026247 k( 353) = ( 0.5000000 0.5000000 -0.4224715), wk = 0.0026247 k( 354) = ( 0.5000000 0.5000000 -0.4310858), wk = 0.0026247 k( 355) = ( 0.5000000 0.5000000 -0.4397001), wk = 0.0026247 k( 356) = ( 0.5000000 0.5000000 -0.4483143), wk = 0.0026247 k( 357) = ( 0.5000000 0.5000000 -0.4569286), wk = 0.0026247 k( 358) = ( 0.5000000 0.5000000 -0.4655429), wk = 0.0026247 k( 359) = ( 0.5000000 0.5000000 -0.4741572), wk = 0.0026247 k( 360) = ( 0.5000000 0.5000000 -0.4827714), wk = 0.0026247 k( 361) = ( 0.5000000 0.5000000 -0.4913857), wk = 0.0026247 k( 362) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026247 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026247 k( 364) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0026247 k( 365) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0026247 k( 366) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026247 k( 367) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0026247 k( 368) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0026247 k( 369) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026247 k( 370) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0026247 k( 371) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0026247 k( 372) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026247 k( 373) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0026247 k( 374) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0026247 k( 375) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026247 k( 376) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0026247 k( 377) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0026247 k( 378) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026247 k( 379) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0026247 k( 380) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0026247 k( 381) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 Dense grid: 62625 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 26793 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 190, 42) NL pseudopotentials 0.12 Mb ( 95, 82) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1742) G-vector shells 0.01 Mb ( 775) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 190, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.11 Mb ( 82, 2, 42) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./MgHg2.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 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.8 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.7 secs Computing kpt #: 32 total cpu time spent up to now is 16.1 secs Computing kpt #: 33 total cpu time spent up to now is 16.5 secs Computing kpt #: 34 total cpu time spent up to now is 17.0 secs Computing kpt #: 35 total cpu time spent up to now is 17.4 secs Computing kpt #: 36 total cpu time spent up to now is 17.9 secs Computing kpt #: 37 total cpu time spent up to now is 18.4 secs Computing kpt #: 38 total cpu time spent up to now is 18.9 secs Computing kpt #: 39 total cpu time spent up to now is 19.4 secs Computing kpt #: 40 total cpu time spent up to now is 19.9 secs Computing kpt #: 41 total cpu time spent up to now is 20.4 secs Computing kpt #: 42 total cpu time spent up to now is 20.9 secs Computing kpt #: 43 total cpu time spent up to now is 21.4 secs Computing kpt #: 44 total cpu time spent up to now is 21.8 secs Computing kpt #: 45 total cpu time spent up to now is 22.3 secs Computing kpt #: 46 total cpu time spent up to now is 22.8 secs Computing kpt #: 47 total cpu time spent up to now is 23.3 secs Computing kpt #: 48 total cpu time spent up to now is 23.8 secs Computing kpt #: 49 total cpu time spent up to now is 24.3 secs Computing kpt #: 50 total cpu time spent up to now is 24.8 secs Computing kpt #: 51 total cpu time spent up to now is 25.3 secs Computing kpt #: 52 total cpu time spent up to now is 25.8 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.7 secs Computing kpt #: 55 total cpu time spent up to now is 27.2 secs Computing kpt #: 56 total cpu time spent up to now is 27.7 secs Computing kpt #: 57 total cpu time spent up to now is 28.2 secs Computing kpt #: 58 total cpu time spent up to now is 28.7 secs Computing kpt #: 59 total cpu time spent up to now is 29.1 secs Computing kpt #: 60 total cpu time spent up to now is 29.5 secs Computing kpt #: 61 total cpu time spent up to now is 30.0 secs Computing kpt #: 62 total cpu time spent up to now is 30.4 secs Computing kpt #: 63 total cpu time spent up to now is 30.8 secs Computing kpt #: 64 total cpu time spent up to now is 31.3 secs Computing kpt #: 65 total cpu time spent up to now is 31.7 secs Computing kpt #: 66 total cpu time spent up to now is 32.2 secs Computing kpt #: 67 total cpu time spent up to now is 32.6 secs Computing kpt #: 68 total cpu time spent up to now is 33.1 secs Computing kpt #: 69 total cpu time spent up to now is 33.6 secs Computing kpt #: 70 total cpu time spent up to now is 34.1 secs Computing kpt #: 71 total cpu time spent up to now is 34.6 secs Computing kpt #: 72 total cpu time spent up to now is 35.0 secs Computing kpt #: 73 total cpu time spent up to now is 35.5 secs Computing kpt #: 74 total cpu time spent up to now is 36.0 secs Computing kpt #: 75 total cpu time spent up to now is 36.5 secs Computing kpt #: 76 total cpu time spent up to now is 37.0 secs Computing kpt #: 77 total cpu time spent up to now is 37.5 secs Computing kpt #: 78 total cpu time spent up to now is 38.0 secs Computing kpt #: 79 total cpu time spent up to now is 38.5 secs Computing kpt #: 80 total cpu time spent up to now is 39.0 secs Computing kpt #: 81 total cpu time spent up to now is 39.6 secs Computing kpt #: 82 total cpu time spent up to now is 40.1 secs Computing kpt #: 83 total cpu time spent up to now is 40.6 secs Computing kpt #: 84 total cpu time spent up to now is 41.1 secs Computing kpt #: 85 total cpu time spent up to now is 41.6 secs Computing kpt #: 86 total cpu time spent up to now is 42.1 secs Computing kpt #: 87 total cpu time spent up to now is 42.7 secs Computing kpt #: 88 total cpu time spent up to now is 43.2 secs Computing kpt #: 89 total cpu time spent up to now is 43.7 secs Computing kpt #: 90 total cpu time spent up to now is 44.2 secs Computing kpt #: 91 total cpu time spent up to now is 44.8 secs Computing kpt #: 92 total cpu time spent up to now is 45.3 secs Computing kpt #: 93 total cpu time spent up to now is 45.8 secs Computing kpt #: 94 total cpu time spent up to now is 46.3 secs Computing kpt #: 95 total cpu time spent up to now is 46.8 secs Computing kpt #: 96 total cpu time spent up to now is 47.4 secs Computing kpt #: 97 total cpu time spent up to now is 47.9 secs Computing kpt #: 98 total cpu time spent up to now is 48.4 secs Computing kpt #: 99 total cpu time spent up to now is 48.9 secs Computing kpt #: 100 total cpu time spent up to now is 49.4 secs Computing kpt #: 101 total cpu time spent up to now is 49.9 secs Computing kpt #: 102 total cpu time spent up to now is 50.3 secs Computing kpt #: 103 total cpu time spent up to now is 50.8 secs Computing kpt #: 104 total cpu time spent up to now is 51.3 secs Computing kpt #: 105 total cpu time spent up to now is 51.7 secs Computing kpt #: 106 total cpu time spent up to now is 52.1 secs Computing kpt #: 107 total cpu time spent up to now is 52.6 secs Computing kpt #: 108 total cpu time spent up to now is 53.0 secs Computing kpt #: 109 total cpu time spent up to now is 53.4 secs Computing kpt #: 110 total cpu time spent up to now is 53.9 secs Computing kpt #: 111 total cpu time spent up to now is 54.3 secs Computing kpt #: 112 total cpu time spent up to now is 54.8 secs Computing kpt #: 113 total cpu time spent up to now is 55.3 secs Computing kpt #: 114 total cpu time spent up to now is 55.8 secs Computing kpt #: 115 total cpu time spent up to now is 56.4 secs Computing kpt #: 116 total cpu time spent up to now is 57.0 secs Computing kpt #: 117 total cpu time spent up to now is 57.7 secs Computing kpt #: 118 total cpu time spent up to now is 58.2 secs Computing kpt #: 119 total cpu time spent up to now is 58.8 secs Computing kpt #: 120 total cpu time spent up to now is 59.3 secs Computing kpt #: 121 total cpu time spent up to now is 59.9 secs Computing kpt #: 122 total cpu time spent up to now is 60.4 secs Computing kpt #: 123 total cpu time spent up to now is 60.9 secs Computing kpt #: 124 total cpu time spent up to now is 61.4 secs Computing kpt #: 125 total cpu time spent up to now is 61.9 secs Computing kpt #: 126 total cpu time spent up to now is 62.3 secs Computing kpt #: 127 total cpu time spent up to now is 62.8 secs Computing kpt #: 128 total cpu time spent up to now is 63.3 secs Computing kpt #: 129 total cpu time spent up to now is 63.7 secs Computing kpt #: 130 total cpu time spent up to now is 64.2 secs Computing kpt #: 131 total cpu time spent up to now is 64.7 secs Computing kpt #: 132 total cpu time spent up to now is 65.1 secs Computing kpt #: 133 total cpu time spent up to now is 65.6 secs Computing kpt #: 134 total cpu time spent up to now is 66.1 secs Computing kpt #: 135 total cpu time spent up to now is 66.5 secs Computing kpt #: 136 total cpu time spent up to now is 67.0 secs Computing kpt #: 137 total cpu time spent up to now is 67.5 secs Computing kpt #: 138 total cpu time spent up to now is 68.0 secs Computing kpt #: 139 total cpu time spent up to now is 68.5 secs Computing kpt #: 140 total cpu time spent up to now is 69.0 secs Computing kpt #: 141 total cpu time spent up to now is 69.5 secs Computing kpt #: 142 total cpu time spent up to now is 70.0 secs Computing kpt #: 143 total cpu time spent up to now is 70.5 secs Computing kpt #: 144 total cpu time spent up to now is 71.0 secs Computing kpt #: 145 total cpu time spent up to now is 71.5 secs Computing kpt #: 146 total cpu time spent up to now is 72.0 secs Computing kpt #: 147 total cpu time spent up to now is 72.5 secs Computing kpt #: 148 total cpu time spent up to now is 73.0 secs Computing kpt #: 149 total cpu time spent up to now is 73.5 secs Computing kpt #: 150 total cpu time spent up to now is 74.0 secs Computing kpt #: 151 total cpu time spent up to now is 74.5 secs Computing kpt #: 152 total cpu time spent up to now is 75.0 secs Computing kpt #: 153 total cpu time spent up to now is 75.5 secs Computing kpt #: 154 total cpu time spent up to now is 76.0 secs Computing kpt #: 155 total cpu time spent up to now is 76.6 secs Computing kpt #: 156 total cpu time spent up to now is 77.1 secs Computing kpt #: 157 total cpu time spent up to now is 77.6 secs Computing kpt #: 158 total cpu time spent up to now is 78.1 secs Computing kpt #: 159 total cpu time spent up to now is 78.7 secs Computing kpt #: 160 total cpu time spent up to now is 79.2 secs Computing kpt #: 161 total cpu time spent up to now is 79.7 secs Computing kpt #: 162 total cpu time spent up to now is 80.2 secs Computing kpt #: 163 total cpu time spent up to now is 80.7 secs Computing kpt #: 164 total cpu time spent up to now is 81.2 secs Computing kpt #: 165 total cpu time spent up to now is 81.7 secs Computing kpt #: 166 total cpu time spent up to now is 82.2 secs Computing kpt #: 167 total cpu time spent up to now is 82.7 secs Computing kpt #: 168 total cpu time spent up to now is 83.2 secs Computing kpt #: 169 total cpu time spent up to now is 83.7 secs Computing kpt #: 170 total cpu time spent up to now is 84.2 secs Computing kpt #: 171 total cpu time spent up to now is 84.7 secs Computing kpt #: 172 total cpu time spent up to now is 85.6 secs Computing kpt #: 173 total cpu time spent up to now is 86.2 secs Computing kpt #: 174 total cpu time spent up to now is 86.8 secs Computing kpt #: 175 total cpu time spent up to now is 87.3 secs Computing kpt #: 176 total cpu time spent up to now is 87.8 secs Computing kpt #: 177 total cpu time spent up to now is 88.4 secs Computing kpt #: 178 total cpu time spent up to now is 88.9 secs Computing kpt #: 179 total cpu time spent up to now is 89.4 secs Computing kpt #: 180 total cpu time spent up to now is 89.9 secs Computing kpt #: 181 total cpu time spent up to now is 90.4 secs Computing kpt #: 182 total cpu time spent up to now is 90.9 secs Computing kpt #: 183 total cpu time spent up to now is 91.4 secs Computing kpt #: 184 total cpu time spent up to now is 91.9 secs Computing kpt #: 185 total cpu time spent up to now is 92.4 secs Computing kpt #: 186 total cpu time spent up to now is 93.0 secs Computing kpt #: 187 total cpu time spent up to now is 93.5 secs Computing kpt #: 188 total cpu time spent up to now is 94.1 secs Computing kpt #: 189 total cpu time spent up to now is 94.6 secs Computing kpt #: 190 total cpu time spent up to now is 95.2 secs Computing kpt #: 191 total cpu time spent up to now is 95.8 secs Computing kpt #: 192 total cpu time spent up to now is 96.3 secs Computing kpt #: 193 total cpu time spent up to now is 97.1 secs Computing kpt #: 194 total cpu time spent up to now is 97.8 secs Computing kpt #: 195 total cpu time spent up to now is 98.6 secs Computing kpt #: 196 total cpu time spent up to now is 99.4 secs Computing kpt #: 197 total cpu time spent up to now is 100.2 secs Computing kpt #: 198 total cpu time spent up to now is 100.8 secs Computing kpt #: 199 total cpu time spent up to now is 101.3 secs Computing kpt #: 200 total cpu time spent up to now is 101.9 secs Computing kpt #: 201 total cpu time spent up to now is 102.4 secs Computing kpt #: 202 total cpu time spent up to now is 102.9 secs Computing kpt #: 203 total cpu time spent up to now is 103.4 secs Computing kpt #: 204 total cpu time spent up to now is 103.8 secs Computing kpt #: 205 total cpu time spent up to now is 104.3 secs Computing kpt #: 206 total cpu time spent up to now is 104.8 secs Computing kpt #: 207 total cpu time spent up to now is 105.2 secs Computing kpt #: 208 total cpu time spent up to now is 105.7 secs Computing kpt #: 209 total cpu time spent up to now is 106.3 secs Computing kpt #: 210 total cpu time spent up to now is 106.8 secs Computing kpt #: 211 total cpu time spent up to now is 107.3 secs Computing kpt #: 212 total cpu time spent up to now is 107.9 secs Computing kpt #: 213 total cpu time spent up to now is 108.4 secs Computing kpt #: 214 total cpu time spent up to now is 108.9 secs Computing kpt #: 215 total cpu time spent up to now is 109.3 secs Computing kpt #: 216 total cpu time spent up to now is 109.8 secs Computing kpt #: 217 total cpu time spent up to now is 110.2 secs Computing kpt #: 218 total cpu time spent up to now is 110.6 secs Computing kpt #: 219 total cpu time spent up to now is 111.1 secs Computing kpt #: 220 total cpu time spent up to now is 111.5 secs Computing kpt #: 221 total cpu time spent up to now is 111.9 secs Computing kpt #: 222 total cpu time spent up to now is 112.4 secs Computing kpt #: 223 total cpu time spent up to now is 112.8 secs Computing kpt #: 224 total cpu time spent up to now is 113.2 secs Computing kpt #: 225 total cpu time spent up to now is 113.6 secs Computing kpt #: 226 total cpu time spent up to now is 114.1 secs Computing kpt #: 227 total cpu time spent up to now is 114.5 secs Computing kpt #: 228 total cpu time spent up to now is 114.9 secs Computing kpt #: 229 total cpu time spent up to now is 115.4 secs Computing kpt #: 230 total cpu time spent up to now is 115.8 secs Computing kpt #: 231 total cpu time spent up to now is 116.3 secs Computing kpt #: 232 total cpu time spent up to now is 116.7 secs Computing kpt #: 233 total cpu time spent up to now is 117.1 secs Computing kpt #: 234 total cpu time spent up to now is 117.6 secs Computing kpt #: 235 total cpu time spent up to now is 118.0 secs Computing kpt #: 236 total cpu time spent up to now is 118.5 secs Computing kpt #: 237 total cpu time spent up to now is 118.9 secs Computing kpt #: 238 total cpu time spent up to now is 119.4 secs Computing kpt #: 239 total cpu time spent up to now is 119.9 secs Computing kpt #: 240 total cpu time spent up to now is 120.4 secs Computing kpt #: 241 total cpu time spent up to now is 121.0 secs Computing kpt #: 242 total cpu time spent up to now is 121.5 secs Computing kpt #: 243 total cpu time spent up to now is 122.0 secs Computing kpt #: 244 total cpu time spent up to now is 122.6 secs Computing kpt #: 245 total cpu time spent up to now is 123.1 secs Computing kpt #: 246 total cpu time spent up to now is 123.7 secs Computing kpt #: 247 total cpu time spent up to now is 124.2 secs Computing kpt #: 248 total cpu time spent up to now is 124.7 secs Computing kpt #: 249 total cpu time spent up to now is 125.3 secs Computing kpt #: 250 total cpu time spent up to now is 125.8 secs Computing kpt #: 251 total cpu time spent up to now is 126.3 secs Computing kpt #: 252 total cpu time spent up to now is 126.8 secs Computing kpt #: 253 total cpu time spent up to now is 127.4 secs Computing kpt #: 254 total cpu time spent up to now is 127.9 secs Computing kpt #: 255 total cpu time spent up to now is 128.4 secs Computing kpt #: 256 total cpu time spent up to now is 129.0 secs Computing kpt #: 257 total cpu time spent up to now is 129.5 secs Computing kpt #: 258 total cpu time spent up to now is 130.1 secs Computing kpt #: 259 total cpu time spent up to now is 130.7 secs Computing kpt #: 260 total cpu time spent up to now is 131.3 secs Computing kpt #: 261 total cpu time spent up to now is 131.8 secs Computing kpt #: 262 total cpu time spent up to now is 132.3 secs Computing kpt #: 263 total cpu time spent up to now is 132.8 secs Computing kpt #: 264 total cpu time spent up to now is 133.3 secs Computing kpt #: 265 total cpu time spent up to now is 133.7 secs Computing kpt #: 266 total cpu time spent up to now is 134.2 secs Computing kpt #: 267 total cpu time spent up to now is 134.6 secs Computing kpt #: 268 total cpu time spent up to now is 135.1 secs Computing kpt #: 269 total cpu time spent up to now is 135.5 secs Computing kpt #: 270 total cpu time spent up to now is 136.0 secs Computing kpt #: 271 total cpu time spent up to now is 136.4 secs Computing kpt #: 272 total cpu time spent up to now is 136.9 secs Computing kpt #: 273 total cpu time spent up to now is 137.3 secs Computing kpt #: 274 total cpu time spent up to now is 137.8 secs Computing kpt #: 275 total cpu time spent up to now is 138.2 secs Computing kpt #: 276 total cpu time spent up to now is 138.6 secs Computing kpt #: 277 total cpu time spent up to now is 139.1 secs Computing kpt #: 278 total cpu time spent up to now is 139.5 secs Computing kpt #: 279 total cpu time spent up to now is 139.9 secs Computing kpt #: 280 total cpu time spent up to now is 140.4 secs Computing kpt #: 281 total cpu time spent up to now is 140.8 secs Computing kpt #: 282 total cpu time spent up to now is 141.2 secs Computing kpt #: 283 total cpu time spent up to now is 141.7 secs Computing kpt #: 284 total cpu time spent up to now is 142.1 secs Computing kpt #: 285 total cpu time spent up to now is 142.5 secs Computing kpt #: 286 total cpu time spent up to now is 143.0 secs Computing kpt #: 287 total cpu time spent up to now is 143.4 secs Computing kpt #: 288 total cpu time spent up to now is 143.8 secs Computing kpt #: 289 total cpu time spent up to now is 144.3 secs Computing kpt #: 290 total cpu time spent up to now is 144.7 secs Computing kpt #: 291 total cpu time spent up to now is 145.2 secs Computing kpt #: 292 total cpu time spent up to now is 145.6 secs Computing kpt #: 293 total cpu time spent up to now is 146.0 secs Computing kpt #: 294 total cpu time spent up to now is 146.5 secs Computing kpt #: 295 total cpu time spent up to now is 146.9 secs Computing kpt #: 296 total cpu time spent up to now is 147.4 secs Computing kpt #: 297 total cpu time spent up to now is 147.8 secs Computing kpt #: 298 total cpu time spent up to now is 148.2 secs Computing kpt #: 299 total cpu time spent up to now is 148.6 secs Computing kpt #: 300 total cpu time spent up to now is 149.1 secs Computing kpt #: 301 total cpu time spent up to now is 149.5 secs Computing kpt #: 302 total cpu time spent up to now is 149.9 secs Computing kpt #: 303 total cpu time spent up to now is 150.3 secs Computing kpt #: 304 total cpu time spent up to now is 150.7 secs Computing kpt #: 305 total cpu time spent up to now is 151.2 secs Computing kpt #: 306 total cpu time spent up to now is 151.6 secs Computing kpt #: 307 total cpu time spent up to now is 152.0 secs Computing kpt #: 308 total cpu time spent up to now is 152.4 secs Computing kpt #: 309 total cpu time spent up to now is 152.9 secs Computing kpt #: 310 total cpu time spent up to now is 153.3 secs Computing kpt #: 311 total cpu time spent up to now is 153.7 secs Computing kpt #: 312 total cpu time spent up to now is 154.2 secs Computing kpt #: 313 total cpu time spent up to now is 154.7 secs Computing kpt #: 314 total cpu time spent up to now is 155.2 secs Computing kpt #: 315 total cpu time spent up to now is 155.7 secs Computing kpt #: 316 total cpu time spent up to now is 156.1 secs Computing kpt #: 317 total cpu time spent up to now is 156.5 secs Computing kpt #: 318 total cpu time spent up to now is 157.0 secs Computing kpt #: 319 total cpu time spent up to now is 157.4 secs Computing kpt #: 320 total cpu time spent up to now is 157.9 secs Computing kpt #: 321 total cpu time spent up to now is 158.4 secs Computing kpt #: 322 total cpu time spent up to now is 158.9 secs Computing kpt #: 323 total cpu time spent up to now is 159.4 secs Computing kpt #: 324 total cpu time spent up to now is 160.0 secs Computing kpt #: 325 total cpu time spent up to now is 160.5 secs Computing kpt #: 326 total cpu time spent up to now is 161.0 secs Computing kpt #: 327 total cpu time spent up to now is 161.5 secs Computing kpt #: 328 total cpu time spent up to now is 162.0 secs Computing kpt #: 329 total cpu time spent up to now is 162.5 secs Computing kpt #: 330 total cpu time spent up to now is 163.1 secs Computing kpt #: 331 total cpu time spent up to now is 163.6 secs Computing kpt #: 332 total cpu time spent up to now is 164.1 secs Computing kpt #: 333 total cpu time spent up to now is 164.6 secs Computing kpt #: 334 total cpu time spent up to now is 165.1 secs Computing kpt #: 335 total cpu time spent up to now is 165.7 secs Computing kpt #: 336 total cpu time spent up to now is 166.2 secs Computing kpt #: 337 total cpu time spent up to now is 166.8 secs Computing kpt #: 338 total cpu time spent up to now is 167.3 secs Computing kpt #: 339 total cpu time spent up to now is 168.0 secs Computing kpt #: 340 total cpu time spent up to now is 168.5 secs Computing kpt #: 341 total cpu time spent up to now is 169.1 secs Computing kpt #: 342 total cpu time spent up to now is 169.7 secs Computing kpt #: 343 total cpu time spent up to now is 170.2 secs Computing kpt #: 344 total cpu time spent up to now is 170.8 secs Computing kpt #: 345 total cpu time spent up to now is 171.3 secs Computing kpt #: 346 total cpu time spent up to now is 171.8 secs Computing kpt #: 347 total cpu time spent up to now is 172.4 secs Computing kpt #: 348 total cpu time spent up to now is 172.9 secs Computing kpt #: 349 total cpu time spent up to now is 173.4 secs Computing kpt #: 350 total cpu time spent up to now is 173.9 secs Computing kpt #: 351 total cpu time spent up to now is 174.4 secs Computing kpt #: 352 total cpu time spent up to now is 174.9 secs Computing kpt #: 353 total cpu time spent up to now is 175.4 secs Computing kpt #: 354 total cpu time spent up to now is 175.9 secs Computing kpt #: 355 total cpu time spent up to now is 176.4 secs Computing kpt #: 356 total cpu time spent up to now is 176.9 secs Computing kpt #: 357 total cpu time spent up to now is 177.4 secs Computing kpt #: 358 total cpu time spent up to now is 178.0 secs Computing kpt #: 359 total cpu time spent up to now is 178.5 secs Computing kpt #: 360 total cpu time spent up to now is 179.1 secs Computing kpt #: 361 total cpu time spent up to now is 179.7 secs Computing kpt #: 362 total cpu time spent up to now is 180.5 secs Computing kpt #: 363 total cpu time spent up to now is 181.0 secs Computing kpt #: 364 total cpu time spent up to now is 181.4 secs Computing kpt #: 365 total cpu time spent up to now is 181.9 secs Computing kpt #: 366 total cpu time spent up to now is 182.3 secs Computing kpt #: 367 total cpu time spent up to now is 182.7 secs Computing kpt #: 368 total cpu time spent up to now is 183.1 secs Computing kpt #: 369 total cpu time spent up to now is 183.6 secs Computing kpt #: 370 total cpu time spent up to now is 184.0 secs Computing kpt #: 371 total cpu time spent up to now is 184.4 secs Computing kpt #: 372 total cpu time spent up to now is 184.8 secs Computing kpt #: 373 total cpu time spent up to now is 185.2 secs Computing kpt #: 374 total cpu time spent up to now is 185.6 secs Computing kpt #: 375 total cpu time spent up to now is 186.0 secs Computing kpt #: 376 total cpu time spent up to now is 186.5 secs Computing kpt #: 377 total cpu time spent up to now is 186.9 secs Computing kpt #: 378 total cpu time spent up to now is 187.3 secs Computing kpt #: 379 total cpu time spent up to now is 187.8 secs Computing kpt #: 380 total cpu time spent up to now is 188.2 secs Computing kpt #: 381 total cpu time spent up to now is 188.7 secs ethr = 2.94E-08, avg # of iterations = 22.7 total cpu time spent up to now is 188.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6780 1.6780 2.4864 2.4864 2.5035 2.5035 2.5228 2.5228 2.5333 2.5333 4.1591 4.1591 4.1691 4.1691 4.2064 4.2064 4.2842 4.2842 4.6106 4.6106 4.9424 4.9424 11.0987 11.0987 11.2859 11.2859 14.3576 14.3576 15.2923 15.2923 15.5372 15.5372 15.9713 15.9713 k = 0.0000 0.0000 0.0164 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6796 1.6796 2.4861 2.4861 2.5039 2.5039 2.5222 2.5222 2.5337 2.5337 4.1588 4.1588 4.1642 4.1642 4.2112 4.2112 4.2848 4.2848 4.6110 4.6110 4.9423 4.9423 11.0998 11.0998 11.2863 11.2863 14.3394 14.3394 15.2403 15.2403 15.5997 15.5997 15.9279 15.9279 k = 0.0000 0.0000 0.0328 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6842 1.6842 2.4851 2.4851 2.5050 2.5050 2.5207 2.5207 2.5349 2.5349 4.1531 4.1531 4.1582 4.1582 4.2215 4.2215 4.2866 4.2866 4.6122 4.6122 4.9422 4.9422 11.1032 11.1032 11.2875 11.2875 14.2870 14.2870 15.1492 15.1492 15.6880 15.6880 15.8685 15.8685 k = 0.0000 0.0000 0.0493 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6920 1.6920 2.4837 2.4837 2.5068 2.5068 2.5185 2.5185 2.5365 2.5365 4.1403 4.1403 4.1569 4.1569 4.2331 4.2331 4.2896 4.2896 4.6141 4.6141 4.9419 4.9419 11.1087 11.1087 11.2895 11.2895 14.2059 14.2059 15.0584 15.0584 15.6289 15.6289 15.9614 15.9614 k = 0.0000 0.0000 0.0657 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7028 1.7028 2.4818 2.4818 2.5090 2.5090 2.5161 2.5161 2.5382 2.5382 4.1269 4.1269 4.1553 4.1553 4.2444 4.2444 4.2942 4.2942 4.6167 4.6167 4.9416 4.9416 11.1162 11.1162 11.2921 11.2921 14.1037 14.1037 14.9720 14.9720 15.5027 15.5027 15.9625 15.9625 k = 0.0000 0.0000 0.0821 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7166 1.7166 2.4797 2.4797 2.5115 2.5115 2.5137 2.5137 2.5400 2.5400 4.1135 4.1135 4.1535 4.1535 4.2546 4.2546 4.3003 4.3003 4.6199 4.6199 4.9413 4.9413 11.1256 11.1256 11.2953 11.2953 13.9879 13.9879 14.8869 14.8869 15.3677 15.3677 15.8386 15.8386 k = 0.0000 0.0000 0.0985 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7334 1.7334 2.4771 2.4771 2.5110 2.5110 2.5145 2.5145 2.5418 2.5418 4.1002 4.1002 4.1515 4.1515 4.2634 4.2634 4.3083 4.3083 4.6236 4.6236 4.9410 4.9410 11.1366 11.1366 11.2990 11.2990 13.8646 13.8646 14.7999 14.7999 15.2329 15.2329 15.7113 15.7113 k = 0.0000 0.0000 0.1149 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7530 1.7530 2.4742 2.4742 2.5087 2.5087 2.5176 2.5176 2.5438 2.5438 4.0872 4.0872 4.1495 4.1495 4.2706 4.2706 4.3178 4.3178 4.6276 4.6276 4.9408 4.9408 11.1488 11.1488 11.3031 11.3031 13.7385 13.7385 14.7086 14.7086 15.1012 15.1012 15.5829 15.5829 k = 0.0000 0.0000 0.1314 ( 3331 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7754 1.7754 2.4710 2.4710 2.5065 2.5065 2.5209 2.5209 2.5460 2.5460 4.0747 4.0747 4.1477 4.1477 4.2766 4.2766 4.3284 4.3284 4.6320 4.6320 4.9407 4.9407 11.1617 11.1617 11.3075 11.3075 13.6130 13.6130 14.6118 14.6118 14.9738 14.9738 15.4549 15.4549 k = 0.0000 0.0000 0.1478 ( 3327 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2803 -32.2803 -32.2655 -32.2655 1.8004 1.8004 2.4673 2.4673 2.5046 2.5046 2.5244 2.5244 2.5484 2.5484 4.0627 4.0627 4.1460 4.1460 4.2817 4.2817 4.3395 4.3395 4.6364 4.6364 4.9410 4.9410 11.1745 11.1745 11.3124 11.3124 13.4905 13.4905 14.5095 14.5095 14.8508 14.8508 15.3279 15.3279 k = 0.0000 0.0000 0.1642 ( 3319 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2803 -32.2803 -32.2655 -32.2655 1.8279 1.8279 2.4632 2.4632 2.5030 2.5030 2.5280 2.5280 2.5513 2.5513 4.0513 4.0513 4.1446 4.1446 4.2863 4.2863 4.3509 4.3509 4.6408 4.6408 4.9416 4.9416 11.1861 11.1861 11.3180 11.3180 13.3732 13.3732 14.4025 14.4025 14.7317 14.7317 15.2025 15.2025 k = 0.0000 0.0000 0.1806 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2655 -32.2655 1.8576 1.8576 2.4589 2.4589 2.5019 2.5019 2.5317 2.5317 2.5549 2.5549 4.0405 4.0405 4.1437 4.1437 4.2904 4.2904 4.3620 4.3620 4.6450 4.6450 4.9426 4.9426 11.1948 11.1948 11.3250 11.3250 13.2625 13.2625 14.2924 14.2924 14.6157 14.6157 15.0789 15.0789 k = 0.0000 0.0000 0.1970 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2655 -32.2655 1.8892 1.8892 2.4543 2.4543 2.5011 2.5011 2.5352 2.5352 2.5594 2.5594 4.0304 4.0304 4.1431 4.1431 4.2943 4.2943 4.3729 4.3729 4.6489 4.6489 4.9441 4.9441 11.1988 11.1988 11.3339 11.3339 13.1600 13.1600 14.1810 14.1810 14.5017 14.5017 14.9573 14.9573 k = 0.0000 0.0000 0.2135 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.9225 1.9225 2.4496 2.4496 2.5007 2.5007 2.5386 2.5386 2.5651 2.5651 4.0210 4.0210 4.1431 4.1431 4.2980 4.2980 4.3832 4.3832 4.6523 4.6523 4.9462 4.9462 11.1964 11.1964 11.3455 11.3455 13.0669 13.0669 14.0702 14.0702 14.3889 14.3889 14.8379 14.8379 k = 0.0000 0.0000 0.2299 ( 3327 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.9569 1.9569 2.4449 2.4449 2.5007 2.5007 2.5417 2.5417 2.5725 2.5725 4.0125 4.0125 4.1436 4.1436 4.3015 4.3015 4.3929 4.3929 4.6553 4.6553 4.9489 4.9489 11.1865 11.1865 11.3593 11.3593 12.9844 12.9844 13.9616 13.9616 14.2766 14.2766 14.7209 14.7209 k = 0.0000 0.0000 0.2463 ( 3331 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.9918 1.9918 2.4404 2.4404 2.5010 2.5010 2.5447 2.5447 2.5818 2.5818 4.0048 4.0048 4.1446 4.1446 4.3049 4.3049 4.4018 4.4018 4.6577 4.6577 4.9523 4.9523 11.1688 11.1688 11.3746 11.3746 12.9132 12.9132 13.8566 13.8566 14.1645 14.1645 14.6063 14.6063 k = 0.0000 0.0000 0.2627 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2655 -32.2655 2.0267 2.0267 2.4362 2.4362 2.5017 2.5017 2.5474 2.5474 2.5937 2.5937 3.9980 3.9980 4.1463 4.1463 4.3082 4.3082 4.4099 4.4099 4.6595 4.6595 4.9564 4.9564 11.1431 11.1431 11.3900 11.3900 12.8541 12.8541 13.7566 13.7566 14.0525 14.0525 14.4941 14.4941 k = 0.0000 0.0000 0.2791 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2655 -32.2655 2.0607 2.0607 2.4326 2.4326 2.5026 2.5026 2.5499 2.5499 2.6086 2.6086 3.9921 3.9921 4.1486 4.1486 4.3115 4.3115 4.4171 4.4171 4.6609 4.6609 4.9611 4.9611 11.1097 11.1097 11.4044 11.4044 12.8074 12.8074 13.6628 13.6628 13.9405 13.9405 14.3846 14.3846 k = 0.0000 0.0000 0.2956 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2806 -32.2806 -32.2655 -32.2655 2.0927 2.0927 2.4295 2.4295 2.5038 2.5038 2.5524 2.5524 2.6273 2.6273 3.9871 3.9871 4.1516 4.1516 4.3147 4.3147 4.4233 4.4233 4.6619 4.6619 4.9664 4.9664 11.0690 11.0690 11.4165 11.4165 12.7729 12.7729 13.5764 13.5764 13.8287 13.8287 14.2778 14.2778 k = 0.0000 0.0000 0.3120 ( 3327 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2806 -32.2806 -32.2655 -32.2655 2.1219 2.1219 2.4273 2.4273 2.5052 2.5052 2.5547 2.5547 2.6506 2.6506 3.9831 3.9831 4.1552 4.1552 4.3178 4.3178 4.4285 4.4285 4.6626 4.6626 4.9722 4.9722 11.0218 11.0218 11.4250 11.4250 12.7501 12.7501 13.4986 13.4986 13.7176 13.7176 14.1738 14.1738 k = 0.0000 0.0000 0.3284 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2655 -32.2655 2.1474 2.1474 2.4259 2.4259 2.5068 2.5068 2.5570 2.5570 2.6793 2.6793 3.9801 3.9801 4.1594 4.1594 4.3209 4.3209 4.4326 4.4326 4.6632 4.6632 4.9783 4.9783 10.9688 10.9688 11.4288 11.4288 12.7378 12.7378 13.4303 13.4303 13.6078 13.6078 14.0726 14.0726 k = 0.0000 0.0000 0.3448 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2655 -32.2655 2.1687 2.1687 2.4253 2.4253 2.5084 2.5084 2.5591 2.5591 2.7139 2.7139 3.9781 3.9781 4.1642 4.1642 4.3240 4.3240 4.4356 4.4356 4.6641 4.6641 4.9847 4.9847 10.9111 10.9111 11.4266 11.4266 12.7347 12.7347 13.3724 13.3724 13.5001 13.5001 13.9745 13.9745 k = 0.0000 0.0000 0.3612 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2656 -32.2656 2.1855 2.1855 2.4254 2.4254 2.5101 2.5101 2.5610 2.5610 2.7545 2.7545 3.9772 3.9772 4.1697 4.1697 4.3269 4.3269 4.4375 4.4375 4.6654 4.6654 4.9912 4.9912 10.8496 10.8496 11.4175 11.4175 12.7386 12.7386 13.3243 13.3243 13.3970 13.3970 13.8796 13.8796 k = 0.0000 0.0000 0.3777 ( 3325 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2656 -32.2656 2.1980 2.1980 2.4262 2.4262 2.5118 2.5118 2.5628 2.5628 2.8011 2.8011 3.9772 3.9772 4.1758 4.1758 4.3299 4.3299 4.4383 4.4383 4.6674 4.6674 4.9978 4.9978 10.7854 10.7854 11.4009 11.4009 12.7464 12.7464 13.2750 13.2750 13.3121 13.3121 13.7883 13.7883 k = 0.0000 0.0000 0.3941 ( 3325 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2808 -32.2808 -32.2656 -32.2656 2.2067 2.2067 2.4273 2.4273 2.5134 2.5134 2.5643 2.5643 2.8531 2.8531 3.9783 3.9783 4.1825 4.1825 4.3326 4.3326 4.4382 4.4382 4.6703 4.6703 5.0042 5.0042 10.7195 10.7195 11.3763 11.3763 12.7531 12.7531 13.1969 13.1969 13.2771 13.2771 13.7010 13.7010 k = 0.0000 0.0000 0.4105 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2656 -32.2656 2.2124 2.2124 2.4287 2.4287 2.5150 2.5150 2.5656 2.5656 2.9097 2.9097 3.9804 3.9804 4.1898 4.1898 4.3352 4.3352 4.4372 4.4372 4.6746 4.6746 5.0104 5.0104 10.6526 10.6526 11.3436 11.3436 12.7495 12.7495 13.1264 13.1264 13.2626 13.2626 13.6190 13.6190 k = 0.0000 0.0000 0.4269 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2656 -32.2656 2.2156 2.2156 2.4302 2.4302 2.5166 2.5166 2.5666 2.5666 2.9703 2.9703 3.9835 3.9835 4.1976 4.1976 4.3374 4.3374 4.4358 4.4358 4.6806 4.6806 5.0163 5.0163 10.5855 10.5855 11.3033 11.3033 12.7230 12.7230 13.0845 13.0845 13.2566 13.2566 13.5445 13.5445 k = 0.0000 0.0000 0.4433 ( 3327 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2656 -32.2656 2.2169 2.2169 2.4316 2.4316 2.5180 2.5180 2.5673 2.5673 3.0339 3.0339 3.9876 3.9876 4.2058 4.2058 4.3391 4.3391 4.4341 4.4341 4.6886 4.6886 5.0217 5.0217 10.5188 10.5188 11.2559 11.2559 12.6673 12.6673 13.0773 13.0773 13.2520 13.2520 13.4829 13.4829 k = 0.0000 0.0000 0.4598 ( 3327 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2809 -32.2809 -32.2656 -32.2656 2.2170 2.2170 2.4330 2.4330 2.5194 2.5194 2.5677 2.5677 3.0995 3.0995 3.9926 3.9926 4.2145 4.2145 4.3401 4.3401 4.4327 4.4327 4.6990 4.6990 5.0266 5.0266 10.4530 10.4530 11.2022 11.2022 12.5896 12.5896 13.0962 13.0962 13.2383 13.2383 13.4446 13.4446 k = 0.0000 0.0000 0.4762 ( 3323 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.2161 2.2161 2.4342 2.4342 2.5207 2.5207 2.5678 2.5678 3.1664 3.1664 3.9985 3.9985 4.2236 4.2236 4.3401 4.3401 4.4320 4.4320 4.7123 4.7123 5.0309 5.0309 10.3885 10.3885 11.1431 11.1431 12.5001 12.5001 13.1239 13.1239 13.2121 13.2121 13.4374 13.4374 k = 0.0000 0.0000 0.4926 ( 3331 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.2147 2.2147 2.4354 2.4354 2.5219 2.5219 2.5676 2.5676 3.2334 3.2334 4.0052 4.0052 4.2329 4.2329 4.3390 4.3390 4.4325 4.4325 4.7293 4.7293 5.0345 5.0345 10.3257 10.3257 11.0794 11.0794 12.4050 12.4050 13.1168 13.1168 13.2141 13.2141 13.4552 13.4552 k = 0.0000 0.0000 0.5090 ( 3339 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2130 2.2130 2.4363 2.4363 2.5230 2.5230 2.5670 2.5670 3.2997 3.2997 4.0125 4.0125 4.2423 4.2423 4.3367 4.3367 4.4344 4.4344 4.7504 4.7504 5.0373 5.0373 10.2647 10.2647 11.0119 11.0119 12.3076 12.3076 13.0662 13.0662 13.2575 13.2575 13.4874 13.4874 k = 0.0000 0.0000 0.5254 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2111 2.2111 2.4371 2.4371 2.5240 2.5240 2.5661 2.5661 3.3643 3.3643 4.0204 4.0204 4.2515 4.2515 4.3336 4.3336 4.4379 4.4379 4.7767 4.7767 5.0394 5.0394 10.2059 10.2059 10.9414 10.9414 12.2096 12.2096 13.0057 13.0057 13.3086 13.3086 13.5279 13.5279 k = 0.0000 0.0000 0.5419 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.2093 2.2093 2.4378 2.4378 2.5250 2.5250 2.5648 2.5648 3.4262 3.4262 4.0287 4.0287 4.2600 4.2600 4.3304 4.3304 4.4428 4.4428 4.8088 4.8088 5.0408 5.0408 10.1493 10.1493 10.8683 10.8683 12.1120 12.1120 12.9435 12.9435 13.3549 13.3549 13.5754 13.5754 k = 0.0000 0.0000 0.5583 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2657 -32.2657 2.2076 2.2076 2.4383 2.4383 2.5259 2.5259 2.5633 2.5633 3.4845 3.4845 4.0372 4.0372 4.2671 4.2671 4.3281 4.3281 4.4489 4.4489 4.8477 4.8477 5.0415 5.0415 10.0950 10.0950 10.7931 10.7931 12.0153 12.0153 12.8818 12.8818 13.3855 13.3855 13.6317 13.6317 k = 0.0000 0.0000 0.5747 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2657 -32.2657 2.2061 2.2061 2.4386 2.4386 2.5267 2.5267 2.5615 2.5615 3.5385 3.5385 4.0456 4.0456 4.2714 4.2714 4.3284 4.3284 4.4559 4.4559 4.8938 4.8938 5.0419 5.0419 10.0431 10.0431 10.7161 10.7161 11.9200 11.9200 12.8213 12.8213 13.3901 13.3901 13.6990 13.6990 k = 0.0000 0.0000 0.5911 ( 3342 PWs) bands (ev): -65.6215 -65.6215 -32.5623 -32.5623 -32.2813 -32.2813 -32.2657 -32.2657 2.2050 2.2050 2.4388 2.4388 2.5274 2.5274 2.5593 2.5593 3.5876 3.5876 4.0537 4.0537 4.2720 4.2720 4.3324 4.3324 4.4637 4.4637 4.9464 4.9464 5.0433 5.0433 9.9938 9.9938 10.6374 10.6374 11.8263 11.8263 12.7623 12.7623 13.3620 13.3620 13.7776 13.7776 k = 0.0000 0.0000 0.6075 ( 3342 PWs) bands (ev): -65.6215 -65.6215 -32.5623 -32.5623 -32.2814 -32.2814 -32.2657 -32.2657 2.2042 2.2042 2.4388 2.4388 2.5280 2.5280 2.5570 2.5570 3.6314 3.6314 4.0613 4.0613 4.2693 4.2693 4.3400 4.3400 4.4719 4.4719 4.9977 4.9977 5.0540 5.0540 9.9469 9.9469 10.5571 10.5571 11.7345 11.7345 12.7049 12.7049 13.3005 13.3005 13.8655 13.8655 k = 0.0000 0.0000 0.6240 ( 3350 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2814 -32.2814 -32.2657 -32.2657 2.2038 2.2038 2.4386 2.4386 2.5285 2.5285 2.5544 2.5544 3.6699 3.6699 4.0682 4.0682 4.2643 4.2643 4.3503 4.3503 4.4805 4.4805 5.0180 5.0180 5.1039 5.1039 9.9025 9.9025 10.4751 10.4751 11.6447 11.6447 12.6487 12.6487 13.2100 13.2100 13.9609 13.9609 k = 0.0000 0.0000 0.6404 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2657 -32.2657 2.2038 2.2038 2.4383 2.4383 2.5289 2.5289 2.5516 2.5516 3.7032 3.7032 4.0742 4.0742 4.2582 4.2582 4.3623 4.3623 4.4894 4.4894 5.0182 5.0182 5.1817 5.1817 9.8606 9.8606 10.3912 10.3912 11.5572 11.5572 12.5933 12.5933 13.0985 13.0985 14.0623 14.0623 k = 0.0000 0.0000 0.6568 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.2042 2.2042 2.4378 2.4378 2.5293 2.5293 2.5486 2.5486 3.7315 3.7315 4.0794 4.0794 4.2516 4.2516 4.3754 4.3754 4.4985 4.4985 5.0141 5.0141 5.2715 5.2715 9.8211 9.8211 10.3051 10.3051 11.4719 11.4719 12.5377 12.5377 12.9750 12.9750 14.1689 14.1689 k = 0.0000 0.0000 0.6732 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2816 -32.2816 -32.2658 -32.2658 2.2051 2.2051 2.4371 2.4371 2.5295 2.5295 2.5456 2.5456 3.7555 3.7555 4.0835 4.0835 4.2450 4.2450 4.3892 4.3892 4.5079 4.5079 5.0080 5.0080 5.3703 5.3703 9.7840 9.7840 10.2165 10.2165 11.3892 11.3892 12.4800 12.4800 12.8481 12.8481 14.2801 14.2801 k = 0.0000 0.0000 0.6896 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2064 2.2064 2.4363 2.4363 2.5295 2.5295 2.5425 2.5425 3.7754 3.7754 4.0869 4.0869 4.2385 4.2385 4.4033 4.4033 4.5175 4.5175 5.0007 5.0007 5.4768 5.4768 9.7491 9.7491 10.1250 10.1250 11.3091 11.3091 12.4170 12.4170 12.7267 12.7267 14.3954 14.3954 k = 0.0000 0.0000 0.7061 ( 3350 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2081 2.2081 2.4353 2.4353 2.5294 2.5294 2.5394 2.5394 3.7919 3.7919 4.0894 4.0894 4.2324 4.2324 4.4176 4.4176 4.5276 4.5276 4.9922 4.9922 5.5902 5.5902 9.7162 9.7162 10.0302 10.0302 11.2320 11.2320 12.3439 12.3439 12.6196 12.6196 14.5145 14.5145 k = 0.0000 0.0000 0.7225 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2101 2.2101 2.4341 2.4341 2.5288 2.5288 2.5366 2.5366 3.8053 3.8053 4.0912 4.0912 4.2267 4.2267 4.4319 4.4319 4.5380 4.5380 4.9826 4.9826 5.7097 5.7097 9.6849 9.6849 9.9319 9.9319 11.1580 11.1580 12.2571 12.2571 12.5332 12.5332 14.6371 14.6371 k = 0.0000 0.0000 0.7389 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2125 2.2125 2.4328 2.4328 2.5277 2.5277 2.5344 2.5344 3.8161 3.8161 4.0924 4.0924 4.2214 4.2214 4.4459 4.4459 4.5491 4.5491 4.9722 4.9722 5.8346 5.8346 9.6541 9.6541 9.8308 9.8308 11.0874 11.0874 12.1592 12.1592 12.4672 12.4672 14.7629 14.7629 k = 0.0000 0.0000 0.7553 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2152 2.2152 2.4314 2.4314 2.5256 2.5256 2.5331 2.5331 3.8246 3.8246 4.0931 4.0931 4.2167 4.2167 4.4593 4.4593 4.5608 4.5608 4.9608 4.9608 5.9641 5.9641 9.6191 9.6191 9.7311 9.7311 11.0206 11.0206 12.0572 12.0572 12.4162 12.4162 14.8918 14.8918 k = 0.0000 0.0000 0.7717 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2817 -32.2817 -32.2658 -32.2658 2.2181 2.2181 2.4298 2.4298 2.5230 2.5230 2.5323 2.5323 3.8313 3.8313 4.0934 4.0934 4.2125 4.2125 4.4721 4.4721 4.5732 4.5732 4.9487 4.9487 6.0977 6.0977 9.5596 9.5596 9.6527 9.6527 10.9579 10.9579 11.9574 11.9574 12.3751 12.3751 15.0232 15.0232 k = 0.0000 0.0000 0.7882 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2817 -32.2817 -32.2658 -32.2658 2.2212 2.2212 2.4281 2.4281 2.5201 2.5201 2.5319 2.5319 3.8364 3.8364 4.0933 4.0933 4.2087 4.2087 4.4840 4.4840 4.5864 4.5864 4.9358 4.9358 6.2345 6.2345 9.4587 9.4587 9.6128 9.6128 10.8996 10.8996 11.8636 11.8636 12.3407 12.3407 15.1570 15.1570 k = 0.0000 0.0000 0.8046 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2244 2.2244 2.4264 2.4264 2.5172 2.5172 2.5316 2.5316 3.8403 3.8403 4.0930 4.0930 4.2055 4.2055 4.4948 4.4948 4.6003 4.6003 4.9223 4.9223 6.3740 6.3740 9.3394 9.3394 9.5884 9.5884 10.8462 10.8462 11.7779 11.7779 12.3113 12.3113 15.2924 15.2924 k = 0.0000 0.0000 0.8210 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2276 2.2276 2.4247 2.4247 2.5144 2.5144 2.5314 2.5314 3.8431 3.8431 4.0925 4.0925 4.2028 4.2028 4.5046 4.5046 4.6150 4.6150 4.9082 4.9082 6.5153 6.5153 9.2124 9.2124 9.5695 9.5695 10.7978 10.7978 11.7012 11.7012 12.2861 12.2861 15.4287 15.4287 k = 0.0000 0.0000 0.8374 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2307 2.2307 2.4229 2.4229 2.5118 2.5118 2.5312 2.5312 3.8451 3.8451 4.0918 4.0918 4.2005 4.2005 4.5131 4.5131 4.6303 4.6303 4.8936 4.8936 6.6573 6.6573 9.0811 9.0811 9.5539 9.5539 10.7547 10.7547 11.6339 11.6339 12.2644 12.2644 15.5646 15.5646 k = 0.0000 0.0000 0.8538 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2337 2.2337 2.4212 2.4212 2.5094 2.5094 2.5310 2.5310 3.8465 3.8465 4.0911 4.0911 4.1986 4.1986 4.5205 4.5205 4.6460 4.6460 4.8787 4.8787 6.7988 6.7988 8.9476 8.9476 9.5407 9.5407 10.7171 10.7171 11.5763 11.5763 12.2461 12.2461 15.6980 15.6980 k = 0.0000 0.0000 0.8703 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2365 2.2365 2.4197 2.4197 2.5073 2.5073 2.5309 2.5309 3.8474 3.8474 4.0904 4.0904 4.1971 4.1971 4.5267 4.5267 4.6618 4.6618 4.8637 4.8637 6.9378 6.9378 8.8144 8.8144 9.5299 9.5299 10.6852 10.6852 11.5280 11.5280 12.2307 12.2307 15.8254 15.8254 k = 0.0000 0.0000 0.8867 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2389 2.2389 2.4183 2.4183 2.5056 2.5056 2.5308 2.5308 3.8479 3.8479 4.0897 4.0897 4.1959 4.1959 4.5318 4.5318 4.6773 4.6773 4.8489 4.8489 7.0713 7.0713 8.6849 8.6849 9.5211 9.5211 10.6591 10.6591 11.4889 11.4889 12.2183 12.2183 15.9413 15.9413 k = 0.0000 0.0000 0.9031 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2408 2.2408 2.4172 2.4172 2.5042 2.5042 2.5307 2.5307 3.8483 3.8483 4.0891 4.0891 4.1951 4.1951 4.5357 4.5357 4.6921 4.6921 4.8348 4.8348 7.1947 7.1947 8.5642 8.5642 9.5143 9.5143 10.6387 10.6387 11.4588 11.4588 12.2087 12.2087 16.0385 16.0385 k = 0.0000 0.0000 0.9195 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2423 2.2423 2.4163 2.4163 2.5032 2.5032 2.5306 2.5306 3.8485 3.8485 4.0886 4.0886 4.1945 4.1945 4.5385 4.5385 4.7050 4.7050 4.8224 4.8224 7.2997 7.2997 8.4609 8.4609 9.5095 9.5095 10.6241 10.6241 11.4375 11.4375 12.2019 12.2019 16.1107 16.1107 k = 0.0000 0.0000 0.9359 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2432 2.2432 2.4158 2.4158 2.5026 2.5026 2.5305 2.5305 3.8486 3.8486 4.0884 4.0884 4.1941 4.1941 4.5402 4.5402 4.7145 4.7145 4.8133 4.8133 7.3735 7.3735 8.3880 8.3880 9.5067 9.5067 10.6154 10.6154 11.4248 11.4248 12.1978 12.1978 16.1545 16.1545 k = 0.0000 0.0000 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2435 2.2435 2.4156 2.4156 2.5024 2.5024 2.5305 2.5305 3.8486 3.8486 4.0883 4.0883 4.1940 4.1940 4.5408 4.5408 4.7181 4.7181 4.8098 4.8098 7.4007 7.4007 8.3611 8.3611 9.5057 9.5057 10.6124 10.6124 11.4205 11.4205 12.1965 12.1965 16.1691 16.1691 k = 0.0000 0.0000 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2435 2.2435 2.4156 2.4156 2.5024 2.5024 2.5305 2.5305 3.8486 3.8486 4.0883 4.0883 4.1940 4.1940 4.5408 4.5408 4.7181 4.7181 4.8098 4.8098 7.4007 7.4007 8.3611 8.3611 9.5057 9.5057 10.6124 10.6124 11.4205 11.4205 12.1965 12.1965 16.1691 16.1691 k =-0.0079 0.0129 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2437 2.2437 2.4156 2.4156 2.5022 2.5022 2.5306 2.5306 3.8486 3.8486 4.0878 4.0878 4.1944 4.1944 4.5411 4.5411 4.7172 4.7172 4.8100 4.8100 7.4000 7.4000 8.3633 8.3633 9.4779 9.4779 10.6393 10.6393 11.4017 11.4017 12.2220 12.2220 16.1709 16.1709 k =-0.0159 0.0257 0.9524 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2444 2.2444 2.4155 2.4155 2.5016 2.5016 2.5307 2.5307 3.8485 3.8485 4.0866 4.0866 4.1955 4.1955 4.5422 4.5422 4.7146 4.7146 4.8106 4.8106 7.3978 7.3978 8.3700 8.3700 9.4021 9.4021 10.7101 10.7101 11.3545 11.3545 12.2917 12.2917 16.1766 16.1766 k =-0.0238 0.0386 0.9524 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2455 2.2455 2.4154 2.4154 2.5007 2.5007 2.5309 2.5309 3.8484 3.8484 4.0845 4.0845 4.1974 4.1974 4.5439 4.5439 4.7104 4.7104 4.8114 4.8114 7.3942 7.3942 8.3811 8.3811 9.2935 9.2935 10.8001 10.8001 11.3020 11.3020 12.3919 12.3919 16.1860 16.1860 k =-0.0317 0.0514 0.9524 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2470 2.2470 2.4153 2.4153 2.4994 2.4994 2.5312 2.5312 3.8483 3.8483 4.0817 4.0817 4.2001 4.2001 4.5462 4.5462 4.7048 4.7048 4.8125 4.8125 7.3890 7.3890 8.3963 8.3963 9.1654 9.1654 10.8686 10.8686 11.2829 11.2829 12.5116 12.5116 16.1991 16.1991 k =-0.0396 0.0643 0.9524 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2490 2.2490 2.4152 2.4152 2.4977 2.4977 2.5315 2.5315 3.8482 3.8482 4.0780 4.0780 4.2034 4.2034 4.5491 4.5491 4.6979 4.6979 4.8137 4.8137 7.3823 7.3823 8.4154 8.4154 9.0267 9.0267 10.8689 10.8689 11.3423 11.3423 12.6441 12.6441 16.2160 16.2160 k =-0.0476 0.0771 0.9524 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2512 2.2512 2.4150 2.4150 2.4958 2.4958 2.5320 2.5320 3.8480 3.8480 4.0735 4.0735 4.2075 4.2075 4.5525 4.5525 4.6899 4.6899 4.8150 4.8150 7.3738 7.3738 8.4376 8.4376 8.8831 8.8831 10.8093 10.8093 11.4703 11.4703 12.7855 12.7855 16.2365 16.2365 k =-0.0555 0.0900 0.9524 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2539 2.2539 2.4147 2.4147 2.4935 2.4935 2.5326 2.5326 3.8478 3.8478 4.0684 4.0684 4.2124 4.2124 4.5562 4.5562 4.6811 4.6811 4.8163 4.8163 7.3636 7.3636 8.4606 8.4606 8.7401 8.7401 10.7243 10.7243 11.6320 11.6320 12.9335 12.9335 16.2608 16.2608 k =-0.0634 0.1028 0.9524 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2568 2.2568 2.4144 2.4144 2.4909 2.4909 2.5333 2.5333 3.8476 3.8476 4.0625 4.0625 4.2179 4.2179 4.5602 4.5602 4.6718 4.6718 4.8175 4.8175 7.3514 7.3514 8.4698 8.4698 8.6140 8.6140 10.6305 10.6305 11.8103 11.8103 13.0868 13.0868 16.2887 16.2888 k =-0.0713 0.1157 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2600 2.2600 2.4140 2.4140 2.4881 2.4881 2.5342 2.5342 3.8474 3.8474 4.0559 4.0559 4.2240 4.2240 4.5639 4.5639 4.6624 4.6624 4.8187 4.8187 7.3371 7.3371 8.3964 8.3964 8.5746 8.5746 10.5346 10.5346 11.9983 11.9983 13.2444 13.2444 16.3203 16.3203 k =-0.0793 0.1285 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2633 2.2633 2.4135 2.4135 2.4851 2.4851 2.5352 2.5352 3.8471 3.8471 4.0488 4.0488 4.2308 4.2308 4.5672 4.5672 4.6532 4.6532 4.8198 4.8198 7.3205 7.3205 8.2623 8.2623 8.6009 8.6009 10.4397 10.4397 12.1929 12.1929 13.4058 13.4058 16.3555 16.3555 k =-0.0872 0.1414 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2817 -32.2817 -32.2658 -32.2658 2.2669 2.2669 2.4129 2.4129 2.4819 2.4819 2.5363 2.5363 3.8469 3.8469 4.0410 4.0410 4.2382 4.2382 4.5691 4.5691 4.6453 4.6453 4.8208 4.8208 7.3014 7.3014 8.1197 8.1197 8.6411 8.6411 10.3475 10.3475 12.3924 12.3924 13.5705 13.5705 16.3942 16.3942 k =-0.0951 0.1542 0.9524 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2705 2.2705 2.4121 2.4121 2.4786 2.4786 2.5375 2.5375 3.8466 3.8466 4.0328 4.0328 4.2461 4.2461 4.5688 4.5688 4.6396 4.6396 4.8219 4.8219 7.2796 7.2796 7.9768 7.9768 8.6874 8.6874 10.2590 10.2590 12.5957 12.5957 13.7384 13.7384 16.4365 16.4365 k =-0.0951 0.1542 0.9524 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2705 2.2705 2.4121 2.4121 2.4786 2.4786 2.5375 2.5375 3.8466 3.8466 4.0328 4.0328 4.2461 4.2461 4.5688 4.5688 4.6396 4.6396 4.8219 4.8219 7.2796 7.2796 7.9768 7.9768 8.6874 8.6874 10.2590 10.2590 12.5957 12.5957 13.7384 13.7384 16.4365 16.4365 k =-0.1011 0.1639 0.9410 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2731 2.2731 2.4115 2.4115 2.4762 2.4762 2.5386 2.5386 3.8463 3.8463 4.0263 4.0263 4.2524 4.2524 4.5663 4.5663 4.6366 4.6366 4.8233 4.8233 7.2551 7.2551 7.8710 7.8710 8.7275 8.7275 10.2014 10.2014 12.7513 12.7513 13.8670 13.8670 16.4618 16.4618 k =-0.1070 0.1735 0.9297 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2756 2.2756 2.4108 2.4108 2.4737 2.4737 2.5397 2.5397 3.8459 3.8459 4.0200 4.0200 4.2590 4.2590 4.5616 4.5616 4.6345 4.6345 4.8260 4.8260 7.2189 7.2189 7.7673 7.7673 8.7698 8.7698 10.1612 10.1612 12.9097 12.9097 13.9984 13.9984 16.4707 16.4707 k =-0.1130 0.1832 0.9183 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2778 2.2778 2.4100 2.4100 2.4713 2.4713 2.5409 2.5409 3.8453 3.8453 4.0137 4.0137 4.2660 4.2660 4.5550 4.5550 4.6335 4.6335 4.8296 4.8296 7.1742 7.1742 7.6660 7.6660 8.8063 8.8063 10.1430 10.1430 13.0705 13.0705 14.1324 14.1324 16.4623 16.4623 k =-0.1189 0.1928 0.9070 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2798 2.2798 2.4091 2.4091 2.4690 2.4690 2.5421 2.5421 3.8445 3.8445 4.0076 4.0076 4.2731 4.2731 4.5470 4.5470 4.6334 4.6334 4.8340 4.8340 7.1236 7.1236 7.5673 7.5673 8.8302 8.8302 10.1510 10.1510 13.2332 13.2332 14.2691 14.2691 16.4376 16.4376 k =-0.1249 0.2025 0.8957 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2817 2.2817 2.4081 2.4081 2.4667 2.4667 2.5433 2.5433 3.8433 3.8433 4.0017 4.0017 4.2804 4.2804 4.5381 4.5381 4.6340 4.6340 4.8389 4.8389 7.0695 7.0695 7.4712 7.4712 8.8369 8.8369 10.1877 10.1877 13.3974 13.3974 14.4082 14.4082 16.4007 16.4007 k =-0.1309 0.2121 0.8843 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2833 2.2833 2.4068 2.4068 2.4645 2.4645 2.5444 2.5444 3.8416 3.8416 3.9962 3.9962 4.2877 4.2877 4.5291 4.5291 4.6353 4.6353 4.8442 4.8442 7.0132 7.0132 7.3777 7.3777 8.8251 8.8251 10.2527 10.2527 13.5622 13.5622 14.5498 14.5498 16.3565 16.3565 k =-0.1368 0.2218 0.8730 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2847 2.2847 2.4053 2.4053 2.4624 2.4624 2.5454 2.5454 3.8394 3.8394 3.9913 3.9913 4.2950 4.2950 4.5204 4.5204 4.6370 4.6370 4.8498 4.8498 6.9561 6.9561 7.2869 7.2869 8.7962 8.7962 10.3433 10.3433 13.7271 13.7271 14.6937 14.6937 16.3095 16.3095 k =-0.1428 0.2314 0.8616 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.2860 2.2860 2.4035 2.4035 2.4604 2.4604 2.5462 2.5462 3.8365 3.8365 3.9869 3.9869 4.3020 4.3020 4.5127 4.5127 4.6390 4.6390 4.8557 4.8557 6.8989 6.8989 7.1987 7.1987 8.7533 8.7533 10.4555 10.4555 13.8909 13.8909 14.8398 14.8398 16.2632 16.2632 k =-0.1487 0.2411 0.8503 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.2871 2.2871 2.4015 2.4015 2.4585 2.4585 2.5469 2.5469 3.8329 3.8329 3.9832 3.9832 4.3086 4.3086 4.5062 4.5062 4.6414 4.6414 4.8617 4.8617 6.8424 6.8424 7.1133 7.1133 8.7000 8.7000 10.5852 10.5852 14.0524 14.0524 14.9881 14.9881 16.2202 16.2202 k =-0.1547 0.2507 0.8390 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.2879 2.2879 2.3993 2.3993 2.4567 2.4567 2.5473 2.5473 3.8283 3.8283 3.9803 3.9803 4.3147 4.3147 4.5014 4.5014 4.6442 4.6442 4.8678 4.8678 6.7870 6.7870 7.0306 7.0306 8.6392 8.6392 10.7289 10.7289 14.2099 14.2099 15.1382 15.1382 16.1827 16.1827 k =-0.1606 0.2604 0.8276 ( 3361 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2814 -32.2814 -32.2658 -32.2658 2.2885 2.2885 2.3969 2.3969 2.4550 2.4550 2.5475 2.5475 3.8227 3.8227 3.9783 3.9783 4.3200 4.3200 4.4984 4.4984 4.6473 4.6473 4.8739 4.8739 6.7330 6.7330 6.9506 6.9506 8.5733 8.5733 10.8836 10.8836 14.3614 14.3614 15.2901 15.2901 16.1527 16.1527 k =-0.1666 0.2700 0.8163 ( 3361 PWs) bands (ev): -65.6216 -65.6216 -32.5624 -32.5624 -32.2814 -32.2814 -32.2658 -32.2658 2.2888 2.2888 2.3943 2.3943 2.4535 2.4535 2.5474 2.5474 3.8162 3.8162 3.9773 3.9773 4.3246 4.3246 4.4976 4.4976 4.6509 4.6509 4.8802 4.8802 6.6808 6.6808 6.8732 6.8732 8.5043 8.5043 11.0473 11.0473 14.5040 14.5040 15.4431 15.4431 16.1324 16.1324 k =-0.1725 0.2797 0.8049 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2814 -32.2814 -32.2658 -32.2658 2.2889 2.2889 2.3916 2.3916 2.4520 2.4520 2.5470 2.5470 3.8087 3.8087 3.9771 3.9771 4.3283 4.3283 4.4988 4.4988 4.6550 4.6550 4.8865 4.8865 6.6304 6.6304 6.7986 6.7986 8.4334 8.4334 11.2182 11.2182 14.6344 14.6344 15.5963 15.5963 16.1238 16.1238 k =-0.1785 0.2893 0.7936 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2658 -32.2658 2.2886 2.2886 2.3889 2.3889 2.4506 2.4506 2.5464 2.5464 3.8003 3.8003 3.9778 3.9778 4.3313 4.3313 4.5020 4.5020 4.6597 4.6597 4.8928 4.8928 6.5821 6.5821 6.7266 6.7266 8.3618 8.3618 11.3953 11.3953 14.7492 14.7492 15.7477 15.7477 16.1290 16.1290 k =-0.1844 0.2990 0.7823 ( 3359 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2658 -32.2658 2.2880 2.2880 2.3862 2.3862 2.4493 2.4493 2.5456 2.5456 3.7912 3.7912 3.9793 3.9793 4.3336 4.3336 4.5069 4.5069 4.6651 4.6651 4.8991 4.8991 6.5358 6.5358 6.6574 6.6574 8.2903 8.2903 11.5773 11.5773 14.8451 14.8451 15.8916 15.8916 16.1513 16.1513 k =-0.1904 0.3086 0.7709 ( 3361 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2658 -32.2658 2.2870 2.2870 2.3835 2.3835 2.4480 2.4480 2.5445 2.5445 3.7814 3.7814 3.9814 3.9814 4.3353 4.3353 4.5134 4.5134 4.6712 4.6712 4.9056 4.9056 6.4915 6.4915 6.5910 6.5910 8.2194 8.2194 11.7637 11.7637 14.9201 14.9201 16.0103 16.0103 16.2029 16.2029 k =-0.1963 0.3183 0.7596 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2812 -32.2812 -32.2658 -32.2658 2.2857 2.2857 2.3810 2.3810 2.4467 2.4467 2.5433 2.5433 3.7711 3.7711 3.9841 3.9841 4.3367 4.3367 4.5210 4.5210 4.6781 4.6781 4.9120 4.9120 6.4492 6.4492 6.5276 6.5276 8.1497 8.1497 11.9537 11.9537 14.9744 14.9744 16.0763 16.0763 16.3044 16.3044 k =-0.2023 0.3280 0.7482 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2812 -32.2812 -32.2658 -32.2658 2.2839 2.2839 2.3788 2.3788 2.4455 2.4455 2.5419 2.5419 3.7605 3.7605 3.9873 3.9873 4.3378 4.3378 4.5296 4.5296 4.6858 4.6858 4.9186 4.9186 6.4083 6.4083 6.4677 6.4677 8.0817 8.0817 12.1467 12.1467 15.0101 15.0101 16.0997 16.0997 16.4403 16.4403 k =-0.2083 0.3376 0.7369 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.2818 2.2818 2.3767 2.3767 2.4443 2.4443 2.5404 2.5404 3.7497 3.7497 3.9908 3.9908 4.3388 4.3388 4.5388 4.5388 4.6942 4.6942 4.9252 4.9252 6.3678 6.3678 6.4125 6.4125 8.0157 8.0157 12.3422 12.3422 15.0306 15.0306 16.1022 16.1022 16.5883 16.5883 k =-0.2142 0.3473 0.7256 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.2794 2.2794 2.3748 2.3748 2.4431 2.4431 2.5389 2.5389 3.7390 3.7390 3.9945 3.9945 4.3396 4.3396 4.5485 4.5485 4.7034 4.7034 4.9319 4.9319 6.3253 6.3253 6.3643 6.3643 7.9522 7.9522 12.5397 12.5397 15.0396 15.0396 16.0931 16.0931 16.7410 16.7410 k =-0.2202 0.3569 0.7142 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2767 2.2767 2.3732 2.3732 2.4420 2.4420 2.5373 2.5373 3.7283 3.7283 3.9984 3.9984 4.3403 4.3403 4.5584 4.5584 4.7131 4.7131 4.9388 4.9388 6.2794 6.2794 6.3248 6.3248 7.8913 7.8913 12.7387 12.7387 15.0404 15.0404 16.0764 16.0764 16.8967 16.8967 k =-0.2261 0.3666 0.7029 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2737 2.2737 2.3717 2.3717 2.4409 2.4409 2.5357 2.5357 3.7180 3.7180 4.0024 4.0024 4.3409 4.3409 4.5684 4.5684 4.7232 4.7232 4.9458 4.9458 6.2321 6.2321 6.2918 6.2918 7.8334 7.8334 12.9387 12.9387 15.0357 15.0357 16.0543 16.0543 17.0541 17.0541 k =-0.2321 0.3762 0.6915 ( 3351 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2706 2.2706 2.3705 2.3705 2.4398 2.4398 2.5342 2.5342 3.7081 3.7081 4.0063 4.0063 4.3414 4.3414 4.5783 4.5783 4.7336 4.7336 4.9529 4.9529 6.1859 6.1859 6.2632 6.2632 7.7788 7.7788 13.1389 13.1389 15.0277 15.0277 16.0279 16.0279 17.2120 17.2120 k =-0.2380 0.3859 0.6802 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2675 2.2675 2.3694 2.3694 2.4388 2.4388 2.5327 2.5327 3.6987 3.6987 4.0102 4.0102 4.3418 4.3418 4.5880 4.5880 4.7440 4.7440 4.9601 4.9601 6.1419 6.1419 6.2377 6.2377 7.7278 7.7278 13.3388 13.3388 15.0180 15.0180 15.9977 15.9977 17.3685 17.3685 k =-0.2440 0.3955 0.6688 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2643 2.2643 2.3685 2.3685 2.4379 2.4379 2.5313 2.5313 3.6899 3.6899 4.0138 4.0138 4.3420 4.3420 4.5975 4.5975 4.7541 4.7541 4.9674 4.9674 6.1007 6.1007 6.2151 6.2151 7.6806 7.6806 13.5374 13.5374 15.0077 15.0077 15.9635 15.9635 17.5205 17.5205 k =-0.2499 0.4052 0.6575 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2613 2.2613 2.3676 2.3676 2.4370 2.4370 2.5300 2.5300 3.6819 3.6819 4.0173 4.0173 4.3421 4.3421 4.6065 4.6065 4.7637 4.7637 4.9747 4.9747 6.0627 6.0627 6.1951 6.1951 7.6375 7.6375 13.7337 13.7337 14.9981 14.9981 15.9247 15.9247 17.6627 17.6627 k =-0.2559 0.4148 0.6462 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2584 2.2584 2.3669 2.3669 2.4363 2.4363 2.5289 2.5289 3.6746 3.6746 4.0205 4.0205 4.3422 4.3422 4.6149 4.6149 4.7727 4.7727 4.9819 4.9819 6.0282 6.0282 6.1776 6.1776 7.5988 7.5988 13.9261 13.9261 14.9903 14.9903 15.8806 15.8806 17.7844 17.7844 k =-0.2618 0.4245 0.6348 ( 3351 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2558 2.2558 2.3662 2.3662 2.4356 2.4356 2.5279 2.5279 3.6682 3.6682 4.0234 4.0234 4.3421 4.3421 4.6226 4.6226 4.7808 4.7808 4.9887 4.9887 5.9974 5.9974 6.1625 6.1625 7.5647 7.5647 14.1125 14.1125 14.9856 14.9856 15.8299 15.8299 17.8660 17.8660 k =-0.2678 0.4341 0.6235 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2535 2.2535 2.3657 2.3657 2.4351 2.4351 2.5270 2.5270 3.6626 3.6626 4.0259 4.0259 4.3420 4.3420 4.6294 4.6294 4.7879 4.7879 4.9951 4.9951 5.9707 5.9707 6.1498 6.1498 7.5354 7.5354 14.2896 14.2896 14.9860 14.9860 15.7714 15.7714 17.8881 17.8881 k =-0.2737 0.4438 0.6121 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2515 2.2515 2.3652 2.3652 2.4347 2.4347 2.5263 2.5263 3.6581 3.6581 4.0280 4.0280 4.3419 4.3419 4.6352 4.6352 4.7939 4.7939 5.0008 5.0008 5.9483 5.9483 6.1395 6.1395 7.5111 7.5111 14.4516 14.4516 14.9953 14.9953 15.7039 15.7039 17.8578 17.8578 k =-0.2797 0.4534 0.6008 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2499 2.2499 2.3648 2.3648 2.4343 2.4343 2.5257 2.5257 3.6545 3.6545 4.0297 4.0297 4.3418 4.3418 4.6399 4.6399 4.7986 4.7986 5.0056 5.0056 5.9305 5.9305 6.1316 6.1316 7.4921 7.4921 14.5886 14.5886 15.0207 15.0207 15.6268 15.6268 17.8050 17.8050 k =-0.2857 0.4631 0.5895 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2488 2.2488 2.3645 2.3645 2.4341 2.4341 2.5253 2.5253 3.6519 3.6519 4.0309 4.0309 4.3416 4.3416 4.6432 4.6432 4.8020 4.8020 5.0093 5.0093 5.9176 5.9176 6.1259 6.1259 7.4783 7.4783 14.6869 14.6869 15.0709 15.0709 15.5422 15.5422 17.7544 17.7544 k =-0.2916 0.4727 0.5781 ( 3361 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2481 2.2481 2.3643 2.3643 2.4340 2.4340 2.5250 2.5250 3.6503 3.6503 4.0317 4.0317 4.3415 4.3415 4.6453 4.6453 4.8040 4.8040 5.0116 5.0116 5.9097 5.9097 6.1225 6.1225 7.4701 7.4701 14.7401 14.7401 15.1402 15.1402 15.4592 15.4592 17.7196 17.7196 k =-0.2976 0.4824 0.5668 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2479 2.2479 2.3642 2.3642 2.4340 2.4340 2.5249 2.5249 3.6498 3.6498 4.0320 4.0320 4.3415 4.3415 4.6459 4.6459 4.8047 4.8047 5.0125 5.0125 5.9069 5.9069 6.1214 6.1214 7.4673 7.4673 14.7559 14.7559 15.1818 15.1818 15.4152 15.4152 17.7073 17.7073 k =-0.2976 0.4824 0.5668 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2479 2.2479 2.3642 2.3642 2.4340 2.4340 2.5249 2.5249 3.6498 3.6498 4.0320 4.0320 4.3415 4.3415 4.6459 4.6459 4.8047 4.8047 5.0125 5.0125 5.9069 5.9069 6.1214 6.1214 7.4673 7.4673 14.7559 14.7559 15.1818 15.1818 15.4152 15.4152 17.7073 17.7073 k =-0.2915 0.4725 0.5552 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2500 2.2500 2.3636 2.3636 2.4324 2.4324 2.5244 2.5244 3.6473 3.6473 4.0465 4.0465 4.3318 4.3318 4.6390 4.6390 4.8017 4.8017 5.0102 5.0102 5.9965 5.9965 6.0705 6.0705 7.5013 7.5013 14.6722 14.6722 15.2429 15.2429 15.3307 15.3307 17.7086 17.7086 k =-0.2854 0.4627 0.5436 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2525 2.2525 2.3632 2.3632 2.4309 2.4309 2.5239 2.5239 3.6434 3.6434 4.0615 4.0615 4.3209 4.3209 4.6312 4.6312 4.7962 4.7962 5.0083 5.0083 5.9665 5.9665 6.1294 6.1294 7.5587 7.5587 14.5620 14.5620 15.2021 15.2021 15.3730 15.3730 17.7192 17.7192 k =-0.2793 0.4529 0.5321 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2554 2.2554 2.3629 2.3629 2.4293 2.4293 2.5235 2.5235 3.6381 3.6381 4.0767 4.0767 4.3088 4.3088 4.6227 4.6227 4.7881 4.7881 5.0067 5.0067 5.8803 5.8803 6.2398 6.2398 7.6344 7.6344 14.4428 14.4428 15.1016 15.1016 15.4831 15.4831 17.7378 17.7378 k =-0.2733 0.4430 0.5205 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2586 2.2586 2.3627 2.3627 2.4278 2.4278 2.5233 2.5233 3.6312 3.6312 4.0921 4.0921 4.2955 4.2955 4.6137 4.6137 4.7772 4.7772 5.0055 5.0055 5.7860 5.7860 6.3578 6.3578 7.7241 7.7241 14.3209 14.3209 14.9950 14.9950 15.6019 15.6019 17.7631 17.7631 k =-0.2672 0.4332 0.5089 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2623 2.2623 2.3626 2.3626 2.4263 2.4263 2.5232 2.5232 3.6227 3.6227 4.1076 4.1076 4.2810 4.2810 4.6043 4.6043 4.7634 4.7634 5.0046 5.0046 5.6894 5.6894 6.4812 6.4812 7.8247 7.8247 14.1992 14.1992 14.8855 14.8855 15.7239 15.7239 17.7936 17.7936 k =-0.2611 0.4233 0.4974 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2664 2.2664 2.3627 2.3627 2.4248 2.4248 2.5232 2.5232 3.6122 3.6122 4.1232 4.1232 4.2655 4.2655 4.5946 4.5946 4.7466 4.7466 5.0039 5.0039 5.5935 5.5935 6.6093 6.6093 7.9340 7.9340 14.0789 14.0789 14.7741 14.7741 15.8469 15.8469 17.8278 17.8278 k =-0.2551 0.4135 0.4858 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2708 2.2708 2.3628 2.3628 2.4233 2.4233 2.5235 2.5235 3.5995 3.5995 4.1385 4.1385 4.2490 4.2490 4.5846 4.5846 4.7267 4.7267 5.0034 5.0034 5.5008 5.5008 6.7418 6.7418 8.0503 8.0503 13.9607 13.9607 14.6616 14.6616 15.9696 15.9696 17.8638 17.8638 k =-0.2490 0.4036 0.4742 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2755 2.2755 2.3630 2.3630 2.4219 2.4219 2.5239 2.5239 3.5843 3.5843 4.1532 4.1532 4.2318 4.2318 4.5745 4.5745 4.7035 4.7035 5.0029 5.0029 5.4131 5.4131 6.8785 6.8785 8.1724 8.1724 13.8452 13.8452 14.5486 14.5486 16.0907 16.0907 17.8989 17.8989 k =-0.2429 0.3938 0.4627 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2806 2.2806 2.3633 2.3633 2.4206 2.4206 2.5246 2.5246 3.5661 3.5661 4.1663 4.1663 4.2152 4.2152 4.5644 4.5644 4.6770 4.6770 5.0023 5.0023 5.3318 5.3318 7.0191 7.0191 8.2995 8.2995 13.7325 13.7325 14.4357 14.4357 16.2088 16.2088 17.9286 17.9286 k =-0.2368 0.3839 0.4511 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.2858 2.2858 2.3638 2.3638 2.4193 2.4193 2.5254 2.5254 3.5447 3.5447 4.1721 4.1721 4.2048 4.2048 4.5543 4.5543 4.6474 4.6474 5.0016 5.0016 5.2580 5.2580 7.1634 7.1634 8.4309 8.4309 13.6229 13.6229 14.3233 14.3233 16.3222 16.3222 17.9415 17.9415 k =-0.2308 0.3741 0.4395 ( 3331 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.2911 2.2911 2.3644 2.3644 2.4182 2.4182 2.5264 2.5264 3.5194 3.5194 4.1616 4.1616 4.2098 4.2098 4.5443 4.5443 4.6150 4.6150 5.0005 5.0005 5.1923 5.1923 7.3112 7.3112 8.5661 8.5661 13.5166 13.5166 14.2119 14.2119 16.4291 16.4291 17.9057 17.9057 k =-0.2247 0.3643 0.4280 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.2965 2.2965 2.3652 2.3652 2.4171 2.4171 2.5276 2.5276 3.4900 3.4900 4.1432 4.1432 4.2220 4.2220 4.5344 4.5344 4.5805 4.5805 4.9988 4.9988 5.1349 5.1349 7.4625 7.4625 8.7046 8.7046 13.4136 13.4136 14.1019 14.1019 16.5273 16.5273 17.8141 17.8141 k =-0.2186 0.3544 0.4164 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.3017 2.3017 2.3663 2.3663 2.4162 2.4162 2.5288 2.5288 3.4561 3.4561 4.1231 4.1231 4.2354 4.2354 4.5247 4.5247 4.5449 4.5449 4.9958 4.9958 5.0860 5.0860 7.6169 7.6169 8.8460 8.8460 13.3140 13.3140 13.9936 13.9936 16.6143 16.6143 17.7018 17.7018 k =-0.2125 0.3446 0.4048 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.3066 2.3066 2.3678 2.3678 2.4154 2.4154 2.5302 2.5302 3.4176 3.4176 4.1028 4.1028 4.2489 4.2489 4.5089 4.5089 4.5156 4.5156 4.9896 4.9896 5.0468 5.0468 7.7744 7.7744 8.9901 8.9901 13.2179 13.2179 13.8875 13.8875 16.6876 16.6876 17.5831 17.5831 k =-0.2065 0.3347 0.3933 ( 3331 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2656 -32.2656 2.3109 2.3109 2.3698 2.3698 2.4148 2.4148 2.5316 2.5316 3.3744 3.3744 4.0832 4.0832 4.2620 4.2620 4.4740 4.4740 4.5064 4.5064 4.9750 4.9750 5.0214 5.0214 7.9348 7.9348 9.1364 9.1364 13.1255 13.1255 13.7839 13.7839 16.7455 16.7455 17.4620 17.4620 k =-0.2004 0.3249 0.3817 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2656 -32.2656 2.3144 2.3144 2.3724 2.3724 2.4144 2.4144 2.5330 2.5330 3.3269 3.3269 4.0647 4.0647 4.2744 4.2744 4.4406 4.4406 4.4977 4.4977 4.9508 4.9508 5.0099 5.0099 8.0978 8.0978 9.2846 9.2846 13.0367 13.0367 13.6832 13.6832 16.7871 16.7871 17.3400 17.3400 k =-0.1943 0.3150 0.3701 ( 3325 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2656 -32.2656 2.3168 2.3168 2.3757 2.3757 2.4142 2.4142 2.5344 2.5344 3.2755 3.2755 4.0477 4.0477 4.2858 4.2858 4.4094 4.4094 4.4896 4.4896 4.9242 4.9242 5.0045 5.0045 8.2634 8.2634 9.4344 9.4344 12.9516 12.9516 13.5858 13.5858 16.8126 16.8126 17.2180 17.2180 k =-0.1883 0.3052 0.3586 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2656 -32.2656 2.3179 2.3179 2.3799 2.3799 2.4143 2.4143 2.5356 2.5356 3.2210 3.2210 4.0324 4.0324 4.2957 4.2957 4.3809 4.3809 4.4819 4.4819 4.8987 4.8987 5.0008 5.0008 8.4314 8.4314 9.5854 9.5854 12.8704 12.8704 13.4921 13.4921 16.8237 16.8237 17.0968 17.0968 k =-0.1822 0.2953 0.3470 ( 3325 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2656 -32.2656 2.3173 2.3173 2.3848 2.3848 2.4147 2.4147 2.5368 2.5368 3.1642 3.1642 4.0189 4.0189 4.3029 4.3029 4.3565 4.3565 4.4750 4.4750 4.8748 4.8748 4.9977 4.9977 8.6014 8.6014 9.7370 9.7370 12.7932 12.7932 13.4027 13.4027 16.8225 16.8225 16.9768 16.9768 k =-0.1761 0.2855 0.3354 ( 3325 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2656 -32.2656 2.3150 2.3150 2.3904 2.3904 2.4154 2.4154 2.5378 2.5378 3.1061 3.1061 4.0072 4.0072 4.3032 4.3032 4.3400 4.3400 4.4688 4.4688 4.8527 4.8527 4.9946 4.9946 8.7732 8.7732 9.8888 9.8888 12.7201 12.7201 13.3181 13.3181 16.8103 16.8103 16.8596 16.8596 k =-0.1700 0.2756 0.3239 ( 3325 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2656 -32.2656 2.3107 2.3107 2.3964 2.3964 2.4164 2.4164 2.5386 2.5386 3.0477 3.0477 3.9974 3.9974 4.2916 4.2916 4.3362 4.3362 4.4634 4.4634 4.8320 4.8320 4.9915 4.9915 8.9466 8.9466 10.0400 10.0400 12.6513 12.6513 13.2390 13.2390 16.7384 16.7384 16.7967 16.7967 k =-0.1640 0.2658 0.3123 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2808 -32.2808 -32.2656 -32.2656 2.3044 2.3044 2.4028 2.4028 2.4179 2.4179 2.5392 2.5392 2.9899 2.9899 3.9892 3.9892 4.2744 4.2744 4.3385 4.3385 4.4590 4.4590 4.8127 4.8127 4.9883 4.9883 9.1213 9.1213 10.1898 10.1898 12.5872 12.5872 13.1663 13.1663 16.6249 16.6249 16.7723 16.7723 k =-0.1579 0.2560 0.3007 ( 3331 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2808 -32.2808 -32.2656 -32.2656 2.2955 2.2955 2.4093 2.4093 2.4198 2.4198 2.5395 2.5395 2.9338 2.9338 3.9827 3.9827 4.2569 4.2569 4.3414 4.3414 4.4555 4.4555 4.7946 4.7946 4.9849 4.9849 9.2967 9.2967 10.3372 10.3372 12.5279 12.5279 13.1011 13.1011 16.5128 16.5128 16.7451 16.7451 k =-0.1518 0.2461 0.2892 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2656 -32.2656 2.2839 2.2839 2.4154 2.4154 2.4223 2.4223 2.5396 2.5396 2.8804 2.8804 3.9777 3.9777 4.2405 4.2405 4.3433 4.3433 4.4529 4.4529 4.7776 4.7776 4.9814 4.9814 9.4723 9.4723 10.4808 10.4808 12.4740 12.4740 13.0445 13.0445 16.4033 16.4033 16.7155 16.7155 k =-0.1457 0.2363 0.2776 ( 3339 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2656 -32.2656 2.2691 2.2691 2.4205 2.4205 2.4263 2.4263 2.5394 2.5394 2.8305 2.8305 3.9742 3.9742 4.2255 4.2255 4.3438 4.3438 4.4509 4.4509 4.7618 4.7618 4.9778 4.9778 9.6476 9.6476 10.6190 10.6190 12.4260 12.4260 12.9983 12.9983 16.2967 16.2967 16.6845 16.6845 k =-0.1397 0.2264 0.2660 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2656 -32.2656 2.2507 2.2507 2.4242 2.4242 2.4318 2.4318 2.5390 2.5390 2.7850 2.7850 3.9720 3.9720 4.2120 4.2120 4.3431 4.3431 4.4493 4.4493 4.7470 4.7470 4.9742 4.9742 9.8217 9.8217 10.7499 10.7499 12.3847 12.3847 12.9643 12.9643 16.1932 16.1932 16.6526 16.6526 k =-0.1336 0.2166 0.2545 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2655 -32.2655 2.2286 2.2286 2.4274 2.4274 2.4379 2.4379 2.5383 2.5383 2.7444 2.7444 3.9712 3.9712 4.1999 4.1999 4.3413 4.3413 4.4477 4.4477 4.7334 4.7334 4.9705 4.9705 9.9935 9.9935 10.8710 10.8710 12.3510 12.3510 12.9449 12.9449 16.0930 16.0930 16.6206 16.6206 k =-0.1275 0.2067 0.2429 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2655 -32.2655 2.2027 2.2027 2.4306 2.4306 2.4440 2.4440 2.5375 2.5375 2.7091 2.7091 3.9716 3.9716 4.1892 4.1892 4.3385 4.3385 4.4457 4.4457 4.7209 4.7209 4.9669 4.9669 10.1618 10.1618 10.9799 10.9799 12.3261 12.3261 12.9426 12.9426 15.9963 15.9963 16.5888 16.5888 k =-0.1215 0.1969 0.2313 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2806 -32.2806 -32.2655 -32.2655 2.1732 2.1732 2.4339 2.4339 2.4499 2.4499 2.5365 2.5365 2.6790 2.6790 3.9733 3.9733 4.1798 4.1798 4.3351 4.3351 4.4429 4.4429 4.7095 4.7095 4.9633 4.9633 10.3248 10.3248 11.0741 11.0741 12.3114 12.3114 12.9601 12.9601 15.9033 15.9033 16.5575 16.5575 k =-0.1154 0.1870 0.2198 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2806 -32.2806 -32.2655 -32.2655 2.1406 2.1406 2.4373 2.4373 2.4556 2.4556 2.5355 2.5355 2.6538 2.6538 3.9762 3.9762 4.1718 4.1718 4.3311 4.3311 4.4391 4.4391 4.6992 4.6992 4.9598 4.9598 10.4801 10.4801 11.1516 11.1516 12.3090 12.3090 12.9992 12.9992 15.8142 15.8142 16.5270 16.5270 k =-0.1093 0.1772 0.2082 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2655 -32.2655 2.1058 2.1058 2.4408 2.4408 2.4609 2.4609 2.5345 2.5345 2.6330 2.6330 3.9803 3.9803 4.1649 4.1649 4.3268 4.3268 4.4342 4.4342 4.6900 4.6900 4.9565 4.9565 10.6252 10.6252 11.2118 11.2118 12.3208 12.3208 13.0612 13.0612 15.7291 15.7291 16.4976 16.4976 k =-0.1032 0.1674 0.1966 ( 3339 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2655 -32.2655 2.0694 2.0694 2.4444 2.4444 2.4659 2.4659 2.5336 2.5336 2.6157 2.6157 3.9854 3.9854 4.1593 4.1593 4.3222 4.3222 4.4280 4.4280 4.6818 4.6818 4.9534 4.9534 10.7569 10.7569 11.2553 11.2553 12.3496 12.3496 13.1457 13.1457 15.6483 15.6483 16.4693 16.4693 k =-0.0972 0.1575 0.1851 ( 3339 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2655 -32.2655 2.0323 2.0323 2.4480 2.4480 2.4706 2.4706 2.5327 2.5327 2.6014 2.6014 3.9917 3.9917 4.1547 4.1547 4.3175 4.3175 4.4205 4.4205 4.6745 4.6745 4.9507 4.9507 10.8719 10.8719 11.2841 11.2841 12.3979 12.3979 13.2512 13.2512 15.5719 15.5719 16.4423 16.4423 k =-0.0911 0.1477 0.1735 ( 3339 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.9951 1.9951 2.4516 2.4516 2.4750 2.4750 2.5320 2.5320 2.5895 2.5895 3.9989 3.9989 4.1511 4.1511 4.3127 4.3127 4.4118 4.4118 4.6679 4.6679 4.9482 4.9482 10.9676 10.9676 11.3008 11.3008 12.4675 12.4675 13.3752 13.3752 15.5002 15.5002 16.4166 16.4166 k =-0.0850 0.1378 0.1619 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.9586 1.9586 2.4552 2.4552 2.4792 2.4792 2.5312 2.5312 2.5795 2.5795 4.0071 4.0071 4.1485 4.1485 4.3079 4.3079 4.4020 4.4020 4.6619 4.6619 4.9461 4.9461 11.0426 11.0426 11.3088 11.3088 12.5592 12.5592 13.5149 13.5149 15.4335 15.4335 16.3925 16.3925 k =-0.0789 0.1280 0.1504 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.9232 1.9232 2.4587 2.4587 2.4831 2.4831 2.5304 2.5304 2.5711 2.5711 4.0163 4.0163 4.1467 4.1467 4.3030 4.3030 4.3913 4.3913 4.6562 4.6562 4.9444 4.9444 11.0971 11.0971 11.3111 11.3111 12.6717 12.6717 13.6676 13.6676 15.3721 15.3721 16.3698 16.3698 k =-0.0729 0.1181 0.1388 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2655 -32.2655 1.8893 1.8893 2.4620 2.4620 2.4869 2.4869 2.5294 2.5294 2.5640 2.5640 4.0263 4.0263 4.1458 4.1458 4.2981 4.2981 4.3799 4.3799 4.6509 4.6509 4.9430 4.9430 11.1329 11.1329 11.3104 11.3104 12.8026 12.8026 13.8306 13.8306 15.3163 15.3163 16.3487 16.3487 k =-0.0668 0.1083 0.1272 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2655 -32.2655 1.8573 1.8573 2.4652 2.4652 2.4905 2.4905 2.5282 2.5282 2.5581 2.5581 4.0371 4.0371 4.1456 4.1456 4.2931 4.2931 4.3679 4.3679 4.6459 4.6459 4.9420 4.9420 11.1526 11.1526 11.3088 11.3088 12.9484 12.9484 14.0016 14.0016 15.2669 15.2669 16.3292 16.3292 k =-0.0607 0.0984 0.1157 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2803 -32.2803 -32.2655 -32.2655 1.8274 1.8274 2.4683 2.4683 2.4940 2.4940 2.5265 2.5265 2.5533 2.5533 4.0486 4.0486 4.1460 4.1460 4.2880 4.2880 4.3557 4.3557 4.6409 4.6409 4.9414 4.9414 11.1600 11.1600 11.3070 11.3070 13.1054 13.1054 14.1783 14.1783 15.2248 15.2248 16.3114 16.3114 k =-0.0547 0.0886 0.1041 ( 3343 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2655 -32.2655 1.7998 1.7998 2.4711 2.4711 2.4975 2.4975 2.5244 2.5244 2.5494 2.5494 4.0606 4.0606 4.1469 4.1469 4.2826 4.2826 4.3434 4.3434 4.6362 4.6362 4.9410 4.9410 11.1590 11.1590 11.3052 11.3052 13.2700 13.2700 14.3582 14.3582 15.1916 15.1916 16.2952 16.2952 k =-0.0486 0.0788 0.0925 ( 3335 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2803 -32.2803 -32.2655 -32.2655 1.7748 1.7748 2.4738 2.4738 2.5008 2.5008 2.5220 2.5220 2.5463 2.5463 4.0733 4.0733 4.1482 4.1482 4.2768 4.2768 4.3313 4.3313 4.6316 4.6316 4.9408 4.9408 11.1527 11.1527 11.3031 11.3031 13.4387 13.4387 14.5377 14.5377 15.1705 15.1705 16.2807 16.2807 k =-0.0425 0.0689 0.0810 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7525 1.7525 2.4762 2.4762 2.5039 2.5039 2.5195 2.5195 2.5439 2.5439 4.0863 4.0863 4.1499 4.1499 4.2703 4.2703 4.3200 4.3200 4.6273 4.6273 4.9409 4.9409 11.1438 11.1438 11.3005 11.3005 13.6080 13.6080 14.7094 14.7094 15.1687 15.1687 16.2677 16.2677 k =-0.0364 0.0591 0.0694 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7330 1.7330 2.4785 2.4785 2.5066 2.5066 2.5172 2.5172 2.5418 2.5418 4.0997 4.0997 4.1517 4.1517 4.2628 4.2628 4.3099 4.3099 4.6233 4.6233 4.9411 4.9411 11.1340 11.1340 11.2977 11.2977 13.7740 13.7740 14.8574 14.8574 15.2025 15.2025 16.2555 16.2555 k =-0.0304 0.0492 0.0578 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7163 1.7163 2.4805 2.4805 2.5082 2.5082 2.5159 2.5159 2.5400 2.5400 4.1133 4.1133 4.1536 4.1536 4.2539 4.2539 4.3014 4.3014 4.6197 4.6197 4.9414 4.9414 11.1243 11.1243 11.2947 11.2947 13.9316 13.9316 14.9590 14.9590 15.2953 15.2953 16.2173 16.2173 k =-0.0243 0.0394 0.0463 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7026 1.7026 2.4824 2.4824 2.5079 2.5079 2.5166 2.5166 2.5382 2.5382 4.1270 4.1270 4.1554 4.1554 4.2437 4.2437 4.2948 4.2948 4.6166 4.6166 4.9417 4.9417 11.1156 11.1156 11.2918 11.2918 14.0745 14.0745 15.0235 15.0235 15.4381 15.4381 16.0740 16.0740 k =-0.0182 0.0295 0.0347 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6919 1.6919 2.4840 2.4840 2.5064 2.5064 2.5185 2.5185 2.5366 2.5366 4.1404 4.1404 4.1570 4.1570 4.2326 4.2326 4.2900 4.2900 4.6140 4.6140 4.9420 4.9420 11.1085 11.1085 11.2894 11.2894 14.1948 14.1948 15.0833 15.0833 15.5929 15.5929 15.9296 15.9296 k =-0.0121 0.0197 0.0231 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6842 1.6842 2.4853 2.4853 2.5049 2.5049 2.5206 2.5206 2.5350 2.5350 4.1532 4.1532 4.1583 4.1583 4.2212 4.2212 4.2867 4.2867 4.6121 4.6121 4.9422 4.9422 11.1031 11.1031 11.2875 11.2875 14.2848 14.2848 15.1566 15.1566 15.6814 15.6814 15.8500 15.8500 k =-0.0061 0.0098 0.0116 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6795 1.6795 2.4861 2.4861 2.5039 2.5039 2.5222 2.5222 2.5338 2.5338 4.1588 4.1588 4.1643 4.1643 4.2111 4.2111 4.2849 4.2849 4.6110 4.6110 4.9423 4.9423 11.0998 11.0998 11.2863 11.2863 14.3394 14.3394 15.2411 15.2411 15.5990 15.5990 15.9258 15.9258 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6780 1.6780 2.4864 2.4864 2.5035 2.5035 2.5228 2.5228 2.5333 2.5333 4.1591 4.1591 4.1691 4.1691 4.2064 4.2064 4.2842 4.2842 4.6106 4.6106 4.9424 4.9424 11.0987 11.0987 11.2859 11.2859 14.3576 14.3576 15.2923 15.2923 15.5372 15.5372 15.9713 15.9713 k = 0.0000 0.0000 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6780 1.6780 2.4864 2.4864 2.5035 2.5035 2.5228 2.5228 2.5333 2.5333 4.1591 4.1591 4.1691 4.1691 4.2064 4.2064 4.2842 4.2842 4.6106 4.6106 4.9424 4.9424 11.0987 11.0987 11.2859 11.2859 14.3576 14.3576 15.2923 15.2923 15.5372 15.5372 15.9713 15.9713 k = 0.0139 0.0086 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6797 1.6797 2.4864 2.4864 2.5029 2.5029 2.5228 2.5228 2.5333 2.5333 4.1592 4.1592 4.1678 4.1678 4.2070 4.2070 4.2859 4.2859 4.6105 4.6105 4.9427 4.9427 10.9477 10.9477 11.4376 11.4376 14.3476 14.3476 15.2916 15.2916 15.5185 15.5185 15.9724 15.9724 k = 0.0278 0.0171 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.6846 1.6846 2.4861 2.4861 2.5012 2.5012 2.5226 2.5226 2.5335 2.5335 4.1593 4.1593 4.1640 4.1640 4.2087 4.2087 4.2906 4.2906 4.6100 4.6100 4.9435 4.9435 10.7317 10.7317 11.6554 11.6554 14.3188 14.3188 15.2886 15.2886 15.4667 15.4667 15.9799 15.9799 k = 0.0417 0.0257 0.0000 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2654 -32.2654 1.6929 1.6929 2.4856 2.4856 2.4985 2.4985 2.5224 2.5224 2.5337 2.5337 4.1579 4.1579 4.1602 4.1602 4.2114 4.2114 4.2978 4.2978 4.6092 4.6092 4.9449 4.9449 10.5113 10.5113 11.8782 11.8782 14.2741 14.2741 15.2815 15.2815 15.3909 15.3909 16.0008 16.0008 k = 0.0556 0.0343 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2654 -32.2654 1.7045 1.7045 2.4850 2.4850 2.4948 2.4948 2.5221 2.5221 2.5339 2.5339 4.1511 4.1511 4.1608 4.1608 4.2151 4.2151 4.3069 4.3069 4.6081 4.6081 4.9469 4.9469 10.2911 10.2911 12.1007 12.1007 14.2176 14.2176 15.2693 15.2693 15.2998 15.2998 16.0390 16.0390 k = 0.0694 0.0428-0.0000 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2654 -32.2654 1.7193 1.7193 2.4842 2.4842 2.4903 2.4903 2.5218 2.5218 2.5339 2.5339 4.1433 4.1433 4.1619 4.1619 4.2197 4.2197 4.3173 4.3173 4.6068 4.6068 4.9493 4.9493 10.0722 10.0722 12.3203 12.3203 14.1535 14.1535 15.1997 15.1997 15.2533 15.2533 16.0947 16.0947 k = 0.0833 0.0514-0.0000 ( 3329 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2654 -32.2654 1.7373 1.7373 2.4831 2.4831 2.4851 2.4851 2.5214 2.5214 2.5339 2.5339 4.1352 4.1352 4.1634 4.1634 4.2250 4.2250 4.3285 4.3285 4.6052 4.6052 4.9524 4.9524 9.8551 9.8551 12.5340 12.5340 14.0859 14.0859 15.0946 15.0946 15.2359 15.2359 16.1658 16.1658 k = 0.0972 0.0600-0.0000 ( 3337 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7585 1.7585 2.4788 2.4788 2.4824 2.4824 2.5209 2.5209 2.5337 2.5337 4.1269 4.1269 4.1654 4.1654 4.2310 4.2310 4.3404 4.3404 4.6034 4.6034 4.9559 4.9559 9.6402 9.6402 12.7379 12.7379 14.0197 14.0197 14.9871 14.9871 15.2206 15.2206 16.2496 16.2496 k = 0.1111 0.0685-0.0000 ( 3361 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.7828 1.7828 2.4723 2.4723 2.4811 2.4811 2.5204 2.5204 2.5335 2.5335 4.1186 4.1186 4.1680 4.1680 4.2376 4.2376 4.3525 4.3525 4.6015 4.6015 4.9599 4.9599 9.4276 9.4276 12.9250 12.9250 13.9612 13.9612 14.8789 14.8789 15.2112 15.2112 16.3438 16.3438 k = 0.1250 0.0771 0.0000 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.8101 1.8101 2.4652 2.4652 2.4797 2.4797 2.5198 2.5198 2.5332 2.5332 4.1106 4.1106 4.1711 4.1711 4.2446 4.2446 4.3648 4.3648 4.5994 4.5994 4.9644 4.9644 9.2176 9.2176 13.0840 13.0840 13.9199 13.9199 14.7711 14.7711 15.2123 15.2123 16.4465 16.4465 k = 0.1389 0.0857-0.0000 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.8403 1.8403 2.4576 2.4576 2.4782 2.4782 2.5192 2.5192 2.5330 2.5330 4.1029 4.1029 4.1747 4.1747 4.2521 4.2521 4.3771 4.3771 4.5972 4.5972 4.9693 4.9693 9.0103 9.0103 13.1979 13.1979 13.9098 13.9098 14.6645 14.6645 15.2287 15.2287 16.5562 16.5562 k = 0.1528 0.0942 0.0000 ( 3333 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.8733 1.8733 2.4497 2.4497 2.4765 2.4765 2.5186 2.5186 2.5329 2.5329 4.0955 4.0955 4.1789 4.1789 4.2600 4.2600 4.3891 4.3891 4.5951 4.5951 4.9747 4.9747 8.8057 8.8057 13.2522 13.2522 13.9407 13.9407 14.5596 14.5596 15.2663 15.2663 16.6720 16.6720 k = 0.1667 0.1028-0.0000 ( 3332 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.9088 1.9088 2.4414 2.4414 2.4748 2.4748 2.5179 2.5179 2.5330 2.5330 4.0886 4.0886 4.1836 4.1836 4.2683 4.2683 4.4007 4.4007 4.5930 4.5930 4.9805 4.9805 8.6041 8.6041 13.2511 13.2511 14.0034 14.0034 14.4568 14.4568 15.3313 15.3313 16.7931 16.7931 k = 0.1806 0.1114 0.0000 ( 3336 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.9466 1.9466 2.4329 2.4329 2.4730 2.4730 2.5172 2.5172 2.5336 2.5336 4.0821 4.0821 4.1887 4.1887 4.2769 4.2769 4.4119 4.4119 4.5912 4.5912 4.9866 4.9866 8.4055 8.4055 13.2140 13.2140 14.0743 14.0743 14.3565 14.3565 15.4283 15.4283 16.9191 16.9191 k = 0.1944 0.1199-0.0000 ( 3336 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 1.9865 1.9865 2.4243 2.4243 2.4711 2.4711 2.5164 2.5164 2.5349 2.5349 4.0760 4.0760 4.1943 4.1943 4.2857 4.2857 4.4223 4.4223 4.5896 4.5896 4.9931 4.9931 8.2100 8.2100 13.1578 13.1578 14.1357 14.1357 14.2590 14.2590 15.5588 15.5588 17.0059 17.0059 k = 0.2083 0.1285-0.0000 ( 3328 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 2.0280 2.0280 2.4158 2.4158 2.4691 2.4691 2.5157 2.5157 2.5371 2.5371 4.0704 4.0704 4.2002 4.2002 4.2948 4.2948 4.4319 4.4319 4.5885 4.5885 4.9998 4.9998 8.0178 8.0178 13.0922 13.0922 14.1645 14.1645 14.1805 14.1805 15.7203 15.7203 17.0051 17.0051 k = 0.2222 0.1371-0.0000 ( 3328 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2655 -32.2655 2.0704 2.0704 2.4074 2.4074 2.4671 2.4671 2.5149 2.5149 2.5407 2.5407 4.0653 4.0653 4.2065 4.2065 4.3041 4.3041 4.4404 4.4404 4.5879 4.5879 5.0068 5.0068 7.8290 7.8290 13.0225 13.0225 14.0732 14.0732 14.2091 14.2091 15.9075 15.9075 17.0042 17.0042 k = 0.2361 0.1456-0.0000 ( 3336 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2655 -32.2655 2.1130 2.1130 2.3996 2.3996 2.4650 2.4650 2.5141 2.5141 2.5463 2.5463 4.0607 4.0607 4.2131 4.2131 4.3137 4.3137 4.4479 4.4479 4.5880 4.5880 5.0140 5.0140 7.6436 7.6436 12.9515 12.9515 13.9852 13.9852 14.2244 14.2244 16.1146 16.1146 17.0034 17.0034 k = 0.2500 0.1542 0.0000 ( 3336 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2655 -32.2655 2.1545 2.1545 2.3925 2.3925 2.4630 2.4630 2.5133 2.5133 2.5546 2.5546 4.0565 4.0565 4.2199 4.2199 4.3235 4.3235 4.4540 4.4540 4.5889 4.5889 5.0213 5.0213 7.4619 7.4619 12.8807 12.8807 13.9008 13.9008 14.2300 14.2300 16.3365 16.3365 17.0026 17.0026 k = 0.2639 0.1628-0.0000 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2655 -32.2655 2.1932 2.1932 2.3867 2.3867 2.4609 2.4609 2.5125 2.5125 2.5669 2.5669 4.0528 4.0528 4.2268 4.2268 4.3336 4.3336 4.4588 4.4588 4.5905 4.5905 5.0288 5.0288 7.2839 7.2839 12.8114 12.8114 13.8202 13.8202 14.2288 14.2288 16.5690 16.5690 17.0017 17.0017 k = 0.2778 0.1714-0.0000 ( 3364 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2270 2.2270 2.3829 2.3829 2.4588 2.4588 2.5118 2.5118 2.5845 2.5845 4.0496 4.0496 4.2338 4.2338 4.3439 4.3439 4.4623 4.4623 4.5930 4.5930 5.0363 5.0363 7.1099 7.1099 12.7441 12.7441 13.7433 13.7433 14.2230 14.2230 16.8091 16.8091 17.0009 17.0009 k = 0.2917 0.1799 0.0000 ( 3364 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2534 2.2534 2.3819 2.3819 2.4568 2.4568 2.5110 2.5110 2.6088 2.6088 4.0467 4.0467 4.2408 4.2408 4.3546 4.3546 4.4646 4.4646 4.5963 4.5963 5.0437 5.0437 6.9400 6.9400 12.6794 12.6794 13.6704 13.6704 14.2142 14.2142 17.0001 17.0001 17.0544 17.0544 k = 0.3056 0.1885 0.0000 ( 3356 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2709 2.2709 2.3841 2.3841 2.4548 2.4548 2.5102 2.5102 2.6408 2.6408 4.0442 4.0442 4.2478 4.2478 4.3656 4.3656 4.4657 4.4657 4.6001 4.6001 5.0511 5.0511 6.7744 6.7744 12.6178 12.6178 13.6016 13.6016 14.2036 14.2036 16.9993 16.9993 17.3030 17.3030 k = 0.3194 0.1971 0.0000 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 2.2800 2.2800 2.3888 2.3888 2.4529 2.4529 2.5095 2.5095 2.6804 2.6804 4.0421 4.0421 4.2546 4.2546 4.3772 4.3772 4.4659 4.4659 4.6044 4.6044 5.0584 5.0584 6.6134 6.6134 12.5595 12.5595 13.5371 13.5371 14.1920 14.1920 16.9986 16.9986 17.5533 17.5533 k = 0.3333 0.2056 0.0000 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 2.2828 2.2828 2.3944 2.3944 2.4511 2.4511 2.5088 2.5088 2.7268 2.7268 4.0403 4.0403 4.2613 4.2613 4.3893 4.3893 4.4654 4.4654 4.6090 4.6090 5.0654 5.0654 6.4572 6.4572 12.5047 12.5047 13.4768 13.4768 14.1801 14.1801 16.9978 16.9978 17.8038 17.8038 k = 0.3472 0.2142-0.0000 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 2.2819 2.2819 2.3995 2.3995 2.4493 2.4493 2.5081 2.5081 2.7783 2.7783 4.0389 4.0389 4.2677 4.2677 4.4022 4.4022 4.4643 4.4643 4.6137 4.6137 5.0722 5.0722 6.3063 6.3063 12.4536 12.4536 13.4210 13.4210 14.1681 14.1681 16.9972 16.9972 18.0532 18.0532 k = 0.3611 0.2228 0.0000 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2655 -32.2655 2.2789 2.2789 2.4037 2.4037 2.4476 2.4476 2.5075 2.5075 2.8332 2.8332 4.0377 4.0377 4.2738 4.2738 4.4159 4.4159 4.4628 4.4628 4.6183 4.6183 5.0786 5.0786 6.1611 6.1611 12.4065 12.4065 13.3697 13.3697 14.1565 14.1565 16.9965 16.9965 18.3003 18.3003 k = 0.3750 0.2313 0.0000 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2750 2.2750 2.4069 2.4069 2.4461 2.4461 2.5069 2.5069 2.8899 2.8899 4.0367 4.0367 4.2796 4.2796 4.4306 4.4306 4.4610 4.4610 4.6228 4.6228 5.0846 5.0846 6.0220 6.0220 12.3634 12.3634 13.3230 13.3230 14.1456 14.1456 16.9959 16.9959 18.5434 18.5434 k = 0.3889 0.2399-0.0000 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2707 2.2707 2.4092 2.4092 2.4447 2.4447 2.5064 2.5064 2.9467 2.9467 4.0360 4.0360 4.2849 4.2849 4.4465 4.4465 4.4592 4.4592 4.6270 4.6270 5.0902 5.0902 5.8898 5.8898 12.3246 12.3246 13.2809 13.2809 14.1354 14.1354 16.9954 16.9954 18.7809 18.7809 k = 0.4028 0.2485-0.0000 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2665 2.2665 2.4108 2.4108 2.4434 2.4434 2.5059 2.5059 3.0022 3.0022 4.0354 4.0354 4.2898 4.2898 4.4570 4.4570 4.4642 4.4642 4.6308 4.6308 5.0953 5.0953 5.7654 5.7654 12.2901 12.2901 13.2437 13.2437 14.1262 14.1262 16.9949 16.9949 19.0109 19.0109 k = 0.4167 0.2570 0.0000 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2625 2.2625 2.4119 2.4119 2.4423 2.4423 2.5055 2.5055 3.0548 3.0548 4.0350 4.0350 4.2941 4.2941 4.4554 4.4554 4.4827 4.4827 4.6343 4.6343 5.0998 5.0998 5.6497 5.6497 12.2600 12.2600 13.2112 13.2112 14.1181 14.1181 16.9945 16.9945 19.2308 19.2308 k = 0.4306 0.2656 0.0000 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2590 2.2590 2.4127 2.4127 2.4413 2.4413 2.5051 2.5051 3.1031 3.1031 4.0347 4.0347 4.2978 4.2978 4.4538 4.4538 4.5026 4.5026 4.6373 4.6373 5.1037 5.1037 5.5444 5.5444 12.2344 12.2344 13.1837 13.1837 14.1111 14.1111 16.9941 16.9941 19.4372 19.4372 k = 0.4444 0.2742-0.0000 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2560 2.2560 2.4132 2.4132 2.4405 2.4405 2.5048 2.5048 3.1454 3.1454 4.0344 4.0344 4.3010 4.3010 4.4524 4.4524 4.5232 4.5232 4.6397 4.6397 5.1070 5.1070 5.4514 5.4514 12.2133 12.2133 13.1611 13.1611 14.1053 14.1053 16.9938 16.9938 19.6255 19.6255 k = 0.4583 0.2827 0.0000 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2536 2.2536 2.4135 2.4135 2.4399 2.4399 2.5046 2.5046 3.1803 3.1803 4.0343 4.0343 4.3035 4.3035 4.4512 4.4512 4.5431 4.5431 4.6417 4.6417 5.1095 5.1095 5.3732 5.3732 12.1969 12.1969 13.1435 13.1435 14.1007 14.1007 16.9936 16.9936 19.7891 19.7891 k = 0.4722 0.2913-0.0000 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2518 2.2518 2.4137 2.4137 2.4394 2.4394 2.5044 2.5044 3.2063 3.2063 4.0342 4.0342 4.3052 4.3052 4.4504 4.4504 4.5605 4.5605 4.6431 4.6431 5.1114 5.1114 5.3131 5.3131 12.1852 12.1852 13.1308 13.1308 14.0974 14.0974 16.9934 16.9934 19.9190 19.9190 k = 0.4861 0.2999-0.0000 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2656 -32.2656 2.2507 2.2507 2.4138 2.4138 2.4391 2.4391 2.5043 2.5043 3.2224 3.2224 4.0342 4.0342 4.3063 4.3063 4.4498 4.4498 4.5727 4.5727 4.6440 4.6440 5.1125 5.1125 5.2748 5.2748 12.1781 12.1781 13.1233 13.1233 14.0954 14.0954 16.9933 16.9933 20.0046 20.0046 k = 0.5000 0.3084 0.0000 ( 3332 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2656 -32.2656 2.2504 2.2504 2.4138 2.4138 2.4390 2.4390 2.5043 2.5043 3.2279 3.2279 4.0341 4.0341 4.3067 4.3067 4.4497 4.4497 4.5771 4.5771 4.6442 4.6442 5.1129 5.1129 5.2617 5.2617 12.1758 12.1758 13.1208 13.1208 14.0948 14.0948 16.9933 16.9933 20.0349 20.0349 k = 0.5000 0.3084 0.0000 ( 3332 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2656 -32.2656 2.2504 2.2504 2.4138 2.4138 2.4390 2.4390 2.5043 2.5043 3.2279 3.2279 4.0341 4.0341 4.3067 4.3067 4.4497 4.4497 4.5771 4.5771 4.6442 4.6442 5.1129 5.1129 5.2617 5.2617 12.1758 12.1758 13.1208 13.1208 14.0948 14.0948 16.9933 16.9933 20.0349 20.0349 k = 0.4940 0.3181 0.0113 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2504 2.2504 2.4137 2.4137 2.4394 2.4394 2.5042 2.5042 3.2288 3.2288 4.0329 4.0329 4.3065 4.3065 4.4500 4.4500 4.5795 4.5795 4.6451 4.6451 5.1126 5.1126 5.2617 5.2617 12.1658 12.1658 13.1003 13.1003 14.1232 14.1232 17.0003 17.0003 20.0352 20.0352 k = 0.4881 0.3277 0.0227 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2504 2.2504 2.4134 2.4134 2.4404 2.4404 2.5039 2.5039 3.2315 3.2315 4.0294 4.0294 4.3061 4.3061 4.4510 4.4510 4.5867 4.5867 4.6479 4.6479 5.1117 5.1117 5.2619 5.2619 12.1345 12.1345 13.0486 13.0486 14.1997 14.1997 17.0214 17.0214 20.0298 20.0298 k = 0.4821 0.3374 0.0340 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2503 2.2503 2.4130 2.4130 2.4419 2.4419 2.5034 2.5034 3.2360 3.2360 4.0239 4.0239 4.3053 4.3053 4.4526 4.4526 4.5981 4.5981 4.6529 4.6529 5.1102 5.1102 5.2622 5.2622 12.0788 12.0788 12.9860 12.9860 14.3071 14.3071 17.0570 17.0570 19.9886 19.9886 k = 0.4762 0.3470 0.0454 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2503 2.2503 2.4125 2.4125 2.4440 2.4440 2.5027 2.5027 3.2423 3.2423 4.0167 4.0167 4.3042 4.3042 4.4547 4.4547 4.6124 4.6124 4.6611 4.6611 5.1082 5.1082 5.2626 5.2626 11.9955 11.9955 12.9298 12.9298 14.4303 14.4303 17.1076 17.1076 19.9150 19.9150 k = 0.4702 0.3567 0.0567 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2502 2.2502 2.4118 2.4118 2.4464 2.4464 2.5019 2.5019 3.2504 3.2504 4.0082 4.0082 4.3029 4.3029 4.4572 4.4572 4.6272 4.6272 4.6744 4.6744 5.1057 5.1057 5.2631 5.2631 11.8843 11.8843 12.8899 12.8899 14.5593 14.5593 17.1738 17.1738 19.8168 19.8168 k = 0.4643 0.3663 0.0680 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2502 2.2502 2.4111 2.4111 2.4491 2.4491 2.5010 2.5010 3.2604 3.2604 3.9989 3.9989 4.3014 4.3014 4.4599 4.4599 4.6401 4.6401 4.6949 4.6949 5.1028 5.1028 5.2639 5.2639 11.7486 11.7486 12.8687 12.8687 14.6874 14.6874 17.2561 17.2561 19.6969 19.6969 k = 0.4583 0.3760 0.0794 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2802 -32.2802 -32.2656 -32.2656 2.2501 2.2501 2.4104 2.4104 2.4521 2.4521 2.4999 2.4999 3.2722 3.2722 3.9891 3.9891 4.3000 4.3000 4.4630 4.4630 4.6506 4.6506 4.7223 4.7223 5.0996 5.0996 5.2649 5.2649 11.5937 11.5937 12.8645 12.8645 14.8106 14.8106 17.3550 17.3550 19.5590 19.5590 k = 0.4524 0.3856 0.0907 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2802 -32.2802 -32.2656 -32.2656 2.2500 2.2500 2.4095 2.4095 2.4551 2.4551 2.4989 2.4989 3.2858 3.2858 3.9792 3.9792 4.2986 4.2986 4.4664 4.4664 4.6597 4.6597 4.7551 4.7551 5.0963 5.0963 5.2662 5.2662 11.4249 11.4249 12.8744 12.8744 14.9263 14.9263 17.4705 17.4705 19.4072 19.4072 k = 0.4464 0.3953 0.1021 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2802 -32.2802 -32.2656 -32.2656 2.2499 2.2499 2.4085 2.4085 2.4581 2.4581 2.4979 2.4979 3.3011 3.3011 3.9694 3.9694 4.2976 4.2976 4.4702 4.4702 4.6682 4.6682 4.7918 4.7918 5.0930 5.0930 5.2680 5.2680 11.2463 11.2463 12.8957 12.8957 15.0327 15.0327 17.6022 17.6022 19.2452 19.2452 k = 0.4405 0.4050 0.1134 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2497 2.2497 2.4074 2.4074 2.4610 2.4610 2.4970 2.4970 3.3180 3.3180 3.9600 3.9600 4.2970 4.2970 4.4743 4.4743 4.6765 4.6765 4.8314 4.8314 5.0900 5.0900 5.2704 5.2704 11.0612 11.0612 12.9263 12.9263 15.1294 15.1294 17.7493 17.7493 19.0763 19.0763 k = 0.4345 0.4146 0.1247 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2495 2.2495 2.4062 2.4062 2.4635 2.4635 2.4965 2.4965 3.3365 3.3365 3.9512 3.9512 4.2971 4.2971 4.4787 4.4787 4.6846 4.6846 4.8727 4.8727 5.0876 5.0876 5.2738 5.2738 10.8719 10.8719 12.9648 12.9648 15.2163 15.2163 17.9100 17.9100 18.9035 18.9035 k = 0.4286 0.4243 0.1361 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2493 2.2493 2.4047 2.4047 2.4654 2.4654 2.4965 2.4965 3.3563 3.3563 3.9431 3.9431 4.2979 4.2979 4.4835 4.4835 4.6926 4.6926 4.9145 4.9145 5.0867 5.0867 5.2786 5.2786 10.6799 10.6799 13.0101 13.0101 15.2937 15.2937 18.0811 18.0811 18.7304 18.7304 k = 0.4226 0.4339 0.1474 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2656 -32.2656 2.2490 2.2490 2.4031 2.4031 2.4666 2.4666 2.4972 2.4972 3.3773 3.3773 3.9357 3.9357 4.2997 4.2997 4.4888 4.4888 4.7005 4.7005 4.9545 4.9545 5.0886 5.0886 5.2856 5.2856 10.4866 10.4866 13.0615 13.0615 15.3623 15.3623 18.2495 18.2495 18.5697 18.5697 k = 0.4166 0.4436 0.1588 ( 3347 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2656 -32.2656 2.2487 2.2487 2.4013 2.4013 2.4670 2.4670 2.4986 2.4986 3.3991 3.3991 3.9294 3.9294 4.3026 4.3026 4.4945 4.4945 4.7082 4.7082 4.9886 4.9886 5.0960 5.0960 5.2961 5.2961 10.2928 10.2928 13.1183 13.1183 15.4229 15.4229 18.2954 18.2954 18.5403 18.5403 k = 0.4107 0.4532 0.1701 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2804 -32.2804 -32.2656 -32.2656 2.2484 2.2484 2.3993 2.3993 2.4667 2.4667 2.5006 2.5006 3.4216 3.4216 3.9240 3.9240 4.3065 4.3065 4.5009 4.5009 4.7156 4.7156 5.0120 5.0120 5.1121 5.1121 5.3118 5.3118 10.0992 10.0992 13.1803 13.1803 15.4763 15.4763 18.1488 18.1488 18.7101 18.7101 k = 0.4047 0.4629 0.1815 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2804 -32.2804 -32.2656 -32.2656 2.2480 2.2480 2.3971 2.3971 2.4658 2.4658 2.5030 2.5030 3.4444 3.4444 3.9197 3.9197 4.3117 4.3117 4.5080 4.5080 4.7226 4.7226 5.0240 5.0240 5.1355 5.1355 5.3351 5.3351 9.9065 9.9065 13.2469 13.2469 15.5232 15.5232 17.9746 17.9746 18.9094 18.9094 k = 0.3988 0.4725 0.1928 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2656 -32.2656 2.2475 2.2475 2.3948 2.3948 2.4645 2.4645 2.5058 2.5058 3.4672 3.4672 3.9164 3.9164 4.3179 4.3179 4.5159 4.5159 4.7293 4.7293 5.0289 5.0289 5.1598 5.1598 5.3679 5.3679 9.7152 9.7152 13.3180 13.3180 15.5641 15.5641 17.7965 17.7965 19.0833 19.0833 k = 0.3928 0.4822 0.2041 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2657 -32.2657 2.2470 2.2470 2.3924 2.3924 2.4629 2.4629 2.5086 2.5086 3.4896 3.4896 3.9144 3.9144 4.3250 4.3250 4.5250 4.5250 4.7355 4.7355 5.0305 5.0305 5.1808 5.1808 5.4109 5.4109 9.5257 9.5257 13.3933 13.3933 15.5994 15.5994 17.6181 17.6181 19.0703 19.0703 k = 0.3869 0.4918 0.2155 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2806 -32.2806 -32.2656 -32.2656 2.2464 2.2464 2.3900 2.3900 2.4611 2.4611 2.5114 2.5114 3.5113 3.5113 3.9135 3.9135 4.3328 4.3328 4.5352 4.5352 4.7412 4.7412 5.0310 5.0310 5.1984 5.1984 5.4625 5.4625 9.3384 9.3384 13.4726 13.4726 15.6294 15.6294 17.4407 17.4407 18.9501 18.9501 k = 0.3809 0.5015 0.2268 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2657 -32.2657 2.2458 2.2458 2.3875 2.3875 2.4593 2.4593 2.5141 2.5141 3.5319 3.5319 3.9138 3.9138 4.3408 4.3408 4.5469 4.5469 4.7465 4.7465 5.0309 5.0309 5.2140 5.2140 5.5208 5.5208 9.1538 9.1538 13.5557 13.5557 15.6540 15.6540 17.2649 17.2649 18.8186 18.8186 k = 0.3750 0.5111 0.2382 ( 3361 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2657 -32.2657 2.2452 2.2452 2.3850 2.3850 2.4573 2.4573 2.5166 2.5166 3.5512 3.5512 3.9153 3.9153 4.3488 4.3488 4.5600 4.5600 4.7513 4.7513 5.0308 5.0308 5.2293 5.2293 5.5839 5.5839 8.9723 8.9723 13.6423 13.6423 15.6732 15.6732 17.0914 17.0914 18.6872 18.6872 k = 0.3690 0.5208 0.2495 ( 3365 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2657 -32.2657 2.2446 2.2446 2.3825 2.3825 2.4554 2.4554 2.5188 2.5188 3.5689 3.5689 3.9180 3.9180 4.3561 4.3561 4.5745 4.5745 4.7557 4.7557 5.0308 5.0308 5.2460 5.2460 5.6503 5.6503 8.7944 8.7944 13.7323 13.7323 15.6863 15.6863 16.9205 16.9205 18.5589 18.5589 k = 0.3631 0.5304 0.2608 ( 3365 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2657 -32.2657 2.2440 2.2440 2.3801 2.3801 2.4535 2.4535 2.5208 2.5208 3.5850 3.5850 3.9219 3.9219 4.3625 4.3625 4.5899 4.5899 4.7598 4.7598 5.0307 5.0307 5.2656 5.2656 5.7190 5.7190 8.6208 8.6208 13.8255 13.8255 15.6928 15.6928 16.7530 16.7530 18.4356 18.4356 k = 0.3571 0.5401 0.2722 ( 3361 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2807 -32.2807 -32.2657 -32.2657 2.2435 2.2435 2.3779 2.3779 2.4515 2.4515 2.5224 2.5224 3.5992 3.5992 3.9270 3.9270 4.3676 4.3676 4.6056 4.6056 4.7640 4.7640 5.0307 5.0307 5.2894 5.2894 5.7888 5.7888 8.4520 8.4520 13.9217 13.9217 15.6917 15.6917 16.5895 16.5895 18.3184 18.3184 k = 0.3512 0.5497 0.2835 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2657 -32.2657 2.2431 2.2431 2.3758 2.3758 2.4496 2.4496 2.5238 2.5238 3.6115 3.6115 3.9333 3.9333 4.3713 4.3713 4.6207 4.6207 4.7683 4.7683 5.0304 5.0304 5.3185 5.3185 5.8588 5.8588 8.2891 8.2891 14.0207 14.0207 15.6816 15.6816 16.4311 16.4311 18.2087 18.2087 k = 0.3452 0.5594 0.2949 ( 3351 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2657 -32.2657 2.2427 2.2427 2.3738 2.3738 2.4478 2.4478 2.5249 2.5249 3.6220 3.6220 3.9407 3.9407 4.3735 4.3735 4.6342 4.6342 4.7730 4.7730 5.0297 5.0297 5.3540 5.3540 5.9276 5.9276 8.1333 8.1333 14.1220 14.1220 15.6607 15.6607 16.2790 16.2790 18.1078 18.1078 k = 0.3392 0.5690 0.3062 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2657 -32.2657 2.2425 2.2425 2.3720 2.3720 2.4459 2.4459 2.5256 2.5256 3.6307 3.6307 3.9491 3.9491 4.3742 4.3742 4.6451 4.6451 4.7784 4.7784 5.0287 5.0287 5.3967 5.3967 5.9937 5.9937 7.9861 7.9861 14.2254 14.2254 15.6264 15.6264 16.1355 16.1355 18.0166 18.0166 k = 0.3333 0.5787 0.3175 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2657 -32.2657 2.2425 2.2425 2.3704 2.3704 2.4441 2.4441 2.5261 2.5261 3.6378 3.6378 3.9586 3.9586 4.3734 4.3734 4.6530 4.6530 4.7842 4.7842 5.0271 5.0271 5.4471 5.4471 6.0548 6.0548 7.8497 7.8497 14.3304 14.3304 15.5759 15.5759 16.0032 16.0032 17.9364 17.9364 k = 0.3273 0.5883 0.3289 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2657 -32.2657 2.2427 2.2427 2.3690 2.3690 2.4424 2.4424 2.5263 2.5263 3.6433 3.6433 3.9690 3.9690 4.3713 4.3713 4.6578 4.6578 4.7902 4.7902 5.0252 5.0252 5.5055 5.5055 6.1082 6.1082 7.7273 7.7273 14.4359 14.4359 15.5070 15.5070 15.8846 15.8846 17.8678 17.8678 k = 0.3214 0.5980 0.3402 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2809 -32.2809 -32.2657 -32.2657 2.2431 2.2431 2.3677 2.3677 2.4406 2.4406 2.5263 2.5263 3.6472 3.6472 3.9802 3.9802 4.3678 4.3678 4.6596 4.6596 4.7959 4.7959 5.0228 5.0228 5.5718 5.5718 6.1499 6.1499 7.6227 7.6227 14.5405 14.5405 15.4209 15.4209 15.7797 15.7797 17.8115 17.8115 k = 0.3154 0.6076 0.3516 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2809 -32.2809 -32.2657 -32.2657 2.2438 2.2438 2.3666 2.3666 2.4389 2.4389 2.5261 2.5261 3.6498 3.6498 3.9922 3.9922 4.3631 4.3631 4.6588 4.6588 4.8005 4.8005 5.0203 5.0203 5.6456 5.6456 6.1755 6.1755 7.5407 7.5407 14.6407 14.6407 15.3245 15.3245 15.6849 15.6849 17.7676 17.7676 k = 0.3095 0.6173 0.3629 ( 3357 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2809 -32.2809 -32.2657 -32.2657 2.2448 2.2448 2.3656 2.3656 2.4373 2.4373 2.5258 2.5258 3.6511 3.6511 4.0049 4.0049 4.3571 4.3571 4.6561 4.6561 4.8038 4.8038 5.0176 5.0176 5.7267 5.7267 6.1804 6.1804 7.4859 7.4859 14.7274 14.7274 15.2323 15.2323 15.5950 15.5950 17.7360 17.7360 k = 0.3035 0.6269 0.3742 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2462 2.2462 2.3648 2.3648 2.4356 2.4356 2.5254 2.5254 3.6511 3.6511 4.0181 4.0181 4.3499 4.3499 4.6517 4.6517 4.8053 4.8053 5.0150 5.0150 5.8142 5.8142 6.1621 6.1621 7.4615 7.4615 14.7772 14.7772 15.1727 15.1727 15.5056 15.5056 17.7161 17.7161 k = 0.2976 0.6366 0.3856 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2479 2.2479 2.3642 2.3642 2.4340 2.4340 2.5249 2.5249 3.6498 3.6498 4.0320 4.0320 4.3415 4.3415 4.6459 4.6459 4.8047 4.8047 5.0125 5.0125 5.9069 5.9069 6.1214 6.1214 7.4673 7.4673 14.7559 14.7559 15.1818 15.1818 15.4152 15.4152 17.7073 17.7073 k = 0.2976 0.6366 0.3856 ( 3353 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2479 2.2479 2.3642 2.3642 2.4340 2.4340 2.5249 2.5249 3.6498 3.6498 4.0320 4.0320 4.3415 4.3415 4.6459 4.6459 4.8047 4.8047 5.0125 5.0125 5.9069 5.9069 6.1214 6.1214 7.4673 7.4673 14.7559 14.7559 15.1818 15.1818 15.4152 15.4152 17.7073 17.7073 k = 0.2827 0.6327 0.3901 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2489 2.2489 2.3639 2.3639 2.4335 2.4335 2.5245 2.5245 3.6485 3.6485 4.0376 4.0376 4.3380 4.3380 4.6432 4.6432 4.8038 4.8038 5.0105 5.0105 5.9348 5.9348 6.1075 6.1075 7.4854 7.4854 14.6937 14.6937 15.1782 15.1782 15.4383 15.4383 17.7103 17.7103 k = 0.2678 0.6289 0.3946 ( 3355 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2505 2.2505 2.3636 2.3636 2.4332 2.4332 2.5239 2.5239 3.6461 3.6461 4.0433 4.0433 4.3348 4.3348 4.6399 4.6399 4.8025 4.8025 5.0065 5.0065 5.9439 5.9439 6.1040 6.1040 7.5242 7.5242 14.5576 14.5576 15.1832 15.1832 15.5257 15.5257 17.7210 17.7210 k = 0.2529 0.6250 0.3992 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2527 2.2527 2.3632 2.3632 2.4331 2.4331 2.5229 2.5229 3.6428 3.6428 4.0489 4.0489 4.3319 4.3319 4.6361 4.6361 4.8009 4.8009 5.0008 5.0008 5.9401 5.9401 6.1045 6.1045 7.5836 7.5836 14.3763 14.3763 15.2140 15.2140 15.6327 15.6327 17.7381 17.7381 k = 0.2381 0.6212 0.4037 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2553 2.2553 2.3628 2.3628 2.4332 2.4332 2.5216 2.5216 3.6386 3.6386 4.0546 4.0546 4.3296 4.3296 4.6317 4.6317 4.7992 4.7992 4.9938 4.9938 5.9307 5.9307 6.1024 6.1024 7.6621 7.6621 14.1735 14.1735 15.2594 15.2594 15.7475 15.7475 17.7603 17.7603 k = 0.2232 0.6173 0.4082 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2585 2.2585 2.3623 2.3623 2.4335 2.4335 2.5199 2.5199 3.6336 3.6336 4.0603 4.0603 4.3280 4.3280 4.6264 4.6264 4.7975 4.7975 4.9857 4.9857 5.9197 5.9197 6.0951 6.0951 7.7578 7.7578 13.9603 13.9603 15.3123 15.3123 15.8666 15.8666 17.7863 17.7863 k = 0.2083 0.6135 0.4128 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2620 2.2620 2.3616 2.3616 2.4341 2.4341 2.5180 2.5180 3.6279 3.6279 4.0658 4.0658 4.3273 4.3273 4.6202 4.6202 4.7961 4.7961 4.9767 4.9767 5.9091 5.9091 6.0824 6.0824 7.8682 7.8682 13.7423 13.7423 15.3697 15.3697 15.9882 15.9882 17.8150 17.8150 k = 0.1934 0.6096 0.4173 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2660 2.2660 2.3609 2.3609 2.4349 2.4349 2.5158 2.5158 3.6217 3.6217 4.0712 4.0712 4.3274 4.3274 4.6131 4.6131 4.7950 4.7950 4.9672 4.9672 5.8997 5.8997 6.0654 6.0654 7.9908 7.9908 13.5222 13.5222 15.4299 15.4299 16.1112 16.1112 17.8450 17.8450 k = 0.1785 0.6058 0.4218 ( 3343 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2703 2.2703 2.3600 2.3600 2.4360 2.4360 2.5132 2.5132 3.6152 3.6152 4.0763 4.0763 4.3287 4.3287 4.6049 4.6049 4.7945 4.7945 4.9572 4.9572 5.8915 5.8915 6.0456 6.0456 8.1233 8.1233 13.3020 13.3020 15.4917 15.4917 16.2349 16.2349 17.8742 17.8742 k = 0.1637 0.6019 0.4264 ( 3341 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2749 2.2749 2.3590 2.3590 2.4373 2.4373 2.5104 2.5104 3.6084 3.6084 4.0811 4.0811 4.3312 4.3312 4.5956 4.5956 4.7946 4.7946 4.9470 4.9470 5.8847 5.8847 6.0241 6.0241 8.2637 8.2637 13.0828 13.0828 15.5545 15.5545 16.3586 16.3586 17.9001 17.9001 k = 0.1488 0.5980 0.4309 ( 3343 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2796 2.2796 2.3578 2.3578 2.4389 2.4389 2.5073 2.5073 3.6016 3.6016 4.0854 4.0854 4.3349 4.3349 4.5851 4.5851 4.7955 4.7955 4.9368 4.9368 5.8791 5.8791 6.0020 6.0020 8.4102 8.4102 12.8660 12.8660 15.6176 15.6176 16.4820 16.4820 17.9189 17.9189 k = 0.1339 0.5942 0.4354 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2846 2.2846 2.3565 2.3565 2.4407 2.4407 2.5040 2.5040 3.5949 3.5949 4.0893 4.0893 4.3400 4.3400 4.5737 4.5737 4.7971 4.7971 4.9265 4.9265 5.8745 5.8745 5.9802 5.9802 8.5612 8.5612 12.6526 12.6526 15.6800 15.6800 16.6044 16.6044 17.9264 17.9264 k = 0.1190 0.5903 0.4399 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2896 2.2896 2.3549 2.3549 2.4427 2.4427 2.5005 2.5005 3.5884 3.5884 4.0927 4.0927 4.3464 4.3464 4.5614 4.5614 4.7995 4.7995 4.9164 4.9164 5.8708 5.8708 5.9595 5.9595 8.7150 8.7150 12.4439 12.4439 15.7412 15.7412 16.7255 16.7255 17.9188 17.9188 k = 0.1041 0.5865 0.4445 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2947 2.2947 2.3532 2.3532 2.4450 2.4450 2.4969 2.4969 3.5822 3.5822 4.0956 4.0956 4.3540 4.3540 4.5483 4.5483 4.8027 4.8027 4.9064 4.9064 5.8678 5.8678 5.9404 5.9404 8.8696 8.8696 12.2415 12.2415 15.8000 15.8000 16.8447 16.8447 17.8957 17.8957 k = 0.0893 0.5826 0.4490 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2996 2.2996 2.3513 2.3513 2.4476 2.4476 2.4931 2.4931 3.5766 3.5766 4.0979 4.0979 4.3629 4.3629 4.5346 4.5346 4.8067 4.8067 4.8966 4.8966 5.8652 5.8652 5.9234 5.9234 9.0227 9.0227 12.0473 12.0473 15.8553 15.8553 16.9615 16.9615 17.8608 17.8608 k = 0.0744 0.5788 0.4535 ( 3345 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3045 2.3045 2.3492 2.3492 2.4503 2.4503 2.4892 2.4892 3.5716 3.5716 4.0998 4.0998 4.3728 4.3728 4.5205 4.5205 4.8113 4.8113 4.8870 4.8870 5.8629 5.8629 5.9089 5.9089 9.1714 9.1714 11.8642 11.8642 15.9059 15.9059 17.0755 17.0755 17.8195 17.8195 k = 0.0595 0.5749 0.4581 ( 3346 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3090 2.3090 2.3470 2.3470 2.4532 2.4532 2.4853 2.4853 3.5674 3.5674 4.1013 4.1013 4.3836 4.3836 4.5063 4.5063 4.8166 4.8166 4.8778 4.8778 5.8607 5.8607 5.8972 5.8972 9.3112 9.3112 11.6964 11.6964 15.9503 15.9503 17.1857 17.1857 17.7768 17.7768 k = 0.0446 0.5711 0.4626 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.3131 2.3131 2.3448 2.3448 2.4562 2.4562 2.4815 2.4815 3.5640 3.5640 4.1024 4.1024 4.3949 4.3949 4.4922 4.4922 4.8225 4.8225 4.8688 4.8688 5.8585 5.8585 5.8885 5.8885 9.4362 9.4362 11.5498 11.5498 15.9871 15.9871 17.2911 17.2911 17.7353 17.7353 k = 0.0298 0.5672 0.4671 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2656 -32.2656 2.3166 2.3166 2.3427 2.3427 2.4592 2.4592 2.4779 2.4779 3.5615 3.5615 4.1031 4.1031 4.4061 4.4061 4.4791 4.4791 4.8289 4.8289 4.8603 4.8603 5.8564 5.8564 5.8828 5.8828 9.5378 9.5378 11.4328 11.4328 16.0147 16.0147 17.3895 17.3895 17.6950 17.6950 k = 0.0149 0.5633 0.4717 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3191 2.3191 2.3410 2.3410 2.4619 2.4619 2.4750 2.4750 3.5600 3.5600 4.1036 4.1036 4.4157 4.4157 4.4683 4.4683 4.8356 4.8356 4.8523 4.8523 5.8548 5.8548 5.8796 5.8796 9.6054 9.6054 11.3559 11.3559 16.0319 16.0319 17.4747 17.4747 17.6535 17.6535 k = 0.0000 0.5595 0.4762 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3200 2.3200 2.3404 2.3404 2.4631 2.4631 2.4736 2.4736 3.5595 3.5595 4.1037 4.1037 4.4201 4.4201 4.4636 4.4636 4.8405 4.8405 4.8470 4.8470 5.8542 5.8542 5.8787 5.8787 9.6294 9.6294 11.3289 11.3289 16.0377 16.0377 17.5197 17.5197 17.6252 17.6252 k = 0.0000 0.5595 0.4762 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3200 2.3200 2.3404 2.3404 2.4631 2.4631 2.4736 2.4736 3.5595 3.5595 4.1037 4.1037 4.4201 4.4201 4.4636 4.4636 4.8405 4.8405 4.8470 4.8470 5.8542 5.8542 5.8787 5.8787 9.6294 9.6294 11.3289 11.3289 16.0377 16.0377 17.5197 17.5197 17.6252 17.6252 k = 0.0061 0.5496 0.4878 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3199 2.3199 2.3408 2.3408 2.4627 2.4627 2.4741 2.4741 3.5600 3.5600 4.1039 4.1039 4.4188 4.4188 4.4646 4.4646 4.8292 4.8292 4.8562 4.8562 5.8548 5.8548 5.8824 5.8824 9.6320 9.6320 11.3295 11.3295 16.0077 16.0077 17.3737 17.3737 17.7356 17.7356 k = 0.0122 0.5397 0.4994 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3197 2.3197 2.3419 2.3419 2.4617 2.4617 2.4754 2.4754 3.5615 3.5615 4.1044 4.1044 4.4153 4.4153 4.4674 4.4674 4.8134 4.8134 4.8660 4.8660 5.8570 5.8570 5.8932 5.8932 9.6400 9.6400 11.3314 11.3314 15.9228 15.9228 17.1739 17.1739 17.8405 17.8405 k = 0.0183 0.5298 0.5110 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3194 2.3194 2.3437 2.3437 2.4605 2.4605 2.4772 2.4772 3.5640 3.5640 4.1052 4.1052 4.4102 4.4102 4.4713 4.4713 4.7958 4.7958 4.8738 4.8738 5.8610 5.8610 5.9106 5.9106 9.6532 9.6532 11.3345 11.3345 15.7949 15.7949 16.9668 16.9668 17.9387 17.9387 k = 0.0244 0.5200 0.5226 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.3190 2.3190 2.3461 2.3461 2.4592 2.4592 2.4792 2.4792 3.5675 3.5675 4.1063 4.1063 4.4040 4.4040 4.4758 4.4758 4.7767 4.7767 4.8798 4.8798 5.8671 5.8671 5.9341 5.9341 9.6717 9.6717 11.3388 11.3388 15.6368 15.6368 16.7572 16.7572 18.0375 18.0375 k = 0.0305 0.5101 0.5343 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2811 -32.2811 -32.2657 -32.2657 2.3186 2.3186 2.3490 2.3490 2.4581 2.4581 2.4813 2.4813 3.5719 3.5719 4.1077 4.1077 4.3972 4.3972 4.4804 4.4804 4.7564 4.7564 4.8839 4.8839 5.8752 5.8752 5.9634 5.9634 9.6953 9.6953 11.3442 11.3442 15.4582 15.4582 16.5466 16.5466 18.1299 18.1299 k = 0.0366 0.5002 0.5459 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2811 -32.2811 -32.2657 -32.2657 2.3183 2.3183 2.3522 2.3522 2.4571 2.4571 2.4835 2.4835 3.5774 3.5774 4.1092 4.1092 4.3900 4.3900 4.4850 4.4850 4.7354 4.7354 4.8864 4.8864 5.8853 5.8853 5.9982 5.9982 9.7239 9.7239 11.3508 11.3508 15.2663 15.2663 16.3360 16.3360 18.2102 18.2102 k = 0.0427 0.4903 0.5575 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2811 -32.2811 -32.2657 -32.2657 2.3180 2.3180 2.3557 2.3557 2.4564 2.4564 2.4858 2.4858 3.5838 3.5838 4.1109 4.1109 4.3826 4.3826 4.4894 4.4894 4.7140 4.7140 4.8875 4.8875 5.8975 5.8975 6.0380 6.0380 9.7574 9.7574 11.3584 11.3584 15.0656 15.0656 16.1260 16.1260 18.2759 18.2759 k = 0.0488 0.4804 0.5691 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.3177 2.3177 2.3594 2.3594 2.4559 2.4559 2.4879 2.4879 3.5911 3.5911 4.1126 4.1126 4.3750 4.3750 4.4933 4.4933 4.6925 4.6925 4.8874 4.8874 5.9116 5.9116 6.0826 6.0826 9.7955 9.7955 11.3670 11.3670 14.8594 14.8594 15.9171 15.9171 18.3156 18.3156 k = 0.0549 0.4705 0.5807 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.3174 2.3174 2.3634 2.3634 2.4558 2.4558 2.4901 2.4901 3.5994 3.5994 4.1142 4.1142 4.3676 4.3676 4.4967 4.4967 4.6715 4.6715 4.8862 4.8862 5.9278 5.9278 6.1315 6.1315 9.8382 9.8382 11.3764 11.3764 14.6500 14.6500 15.7097 15.7097 18.2583 18.2583 k = 0.0610 0.4606 0.5923 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.3171 2.3171 2.3674 2.3674 2.4561 2.4561 2.4921 2.4921 3.6086 3.6086 4.1156 4.1156 4.3603 4.3603 4.4992 4.4992 4.6514 4.6514 4.8842 4.8842 5.9461 5.9461 6.1846 6.1846 9.8853 9.8853 11.3865 11.3865 14.4390 14.4390 15.5040 15.5040 18.1278 18.1278 k = 0.0671 0.4508 0.6039 ( 3350 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.3167 2.3167 2.3714 2.3714 2.4566 2.4566 2.4941 2.4941 3.6188 3.6188 4.1167 4.1167 4.3533 4.3533 4.5006 4.5006 4.6328 4.6328 4.8816 4.8816 5.9664 5.9664 6.2414 6.2414 9.9364 9.9364 11.3971 11.3971 14.2276 14.2276 15.3005 15.3005 17.9798 17.9798 k = 0.0732 0.4409 0.6156 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.3162 2.3162 2.3755 2.3755 2.4575 2.4575 2.4959 2.4959 3.6297 3.6297 4.1172 4.1172 4.3468 4.3468 4.5004 4.5004 4.6163 4.6163 4.8785 4.8785 5.9890 5.9890 6.3018 6.3018 9.9912 9.9912 11.4080 11.4080 14.0168 14.0168 15.0995 15.0995 17.8244 17.8244 k = 0.0793 0.4310 0.6272 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.3157 2.3157 2.3795 2.3795 2.4588 2.4588 2.4975 2.4975 3.6415 3.6415 4.1171 4.1171 4.3408 4.3408 4.4982 4.4982 4.6026 4.6026 4.8750 4.8750 6.0138 6.0138 6.3656 6.3656 10.0496 10.0496 11.4189 11.4189 13.8075 13.8075 14.9014 14.9014 17.6647 17.6647 k = 0.0854 0.4211 0.6388 ( 3338 PWs) bands (ev): -65.6215 -65.6215 -32.5622 -32.5622 -32.2812 -32.2812 -32.2657 -32.2657 2.3151 2.3151 2.3834 2.3834 2.4603 2.4603 2.4990 2.4990 3.6540 3.6540 4.1162 4.1162 4.3354 4.3354 4.4937 4.4937 4.5923 4.5923 4.8712 4.8712 6.0408 6.0408 6.4326 6.4326 10.1110 10.1110 11.4295 11.4295 13.6005 13.6005 14.7067 14.7067 17.5027 17.5027 k = 0.0915 0.4112 0.6504 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2657 -32.2657 2.3144 2.3144 2.3871 2.3871 2.4620 2.4620 2.5003 2.5003 3.6672 3.6672 4.1143 4.1143 4.3305 4.3305 4.4871 4.4871 4.5855 4.5855 4.8673 4.8673 6.0703 6.0703 6.5026 6.5026 10.1751 10.1751 11.4392 11.4392 13.3964 13.3964 14.5159 14.5159 17.3394 17.3394 k = 0.0976 0.4013 0.6620 ( 3344 PWs) bands (ev): -65.6215 -65.6215 -32.5623 -32.5623 -32.2813 -32.2813 -32.2657 -32.2657 2.3137 2.3137 2.3907 2.3907 2.4640 2.4640 2.5014 2.5014 3.6811 3.6811 4.1116 4.1116 4.3261 4.3261 4.4793 4.4793 4.5816 4.5816 4.8633 4.8633 6.1021 6.1021 6.5756 6.5756 10.2412 10.2412 11.4474 11.4474 13.1961 13.1961 14.3296 14.3296 17.1758 17.1758 k = 0.1037 0.3915 0.6736 ( 3344 PWs) bands (ev): -65.6215 -65.6215 -32.5623 -32.5623 -32.2813 -32.2813 -32.2657 -32.2657 2.3129 2.3129 2.3940 2.3940 2.4661 2.4661 2.5022 2.5022 3.6954 3.6954 4.1079 4.1079 4.3218 4.3218 4.4712 4.4712 4.5800 4.5800 4.8593 4.8593 6.1365 6.1365 6.6515 6.6515 10.3087 10.3087 11.4533 11.4533 13.0006 13.0006 14.1487 14.1487 17.0126 17.0126 k = 0.1098 0.3816 0.6852 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2814 -32.2814 -32.2657 -32.2657 2.3121 2.3121 2.3972 2.3972 2.4682 2.4682 2.5028 2.5028 3.7101 3.7101 4.1033 4.1033 4.3173 4.3173 4.4641 4.4641 4.5799 4.5799 4.8553 4.8553 6.1735 6.1735 6.7302 6.7302 10.3765 10.3765 11.4560 11.4560 12.8111 12.8111 13.9741 13.9741 16.8504 16.8504 k = 0.1159 0.3717 0.6969 ( 3352 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2814 -32.2814 -32.2657 -32.2657 2.3114 2.3114 2.4002 2.4002 2.4704 2.4704 2.5032 2.5032 3.7252 3.7252 4.0979 4.0979 4.3122 4.3122 4.4588 4.4588 4.5807 4.5807 4.8514 4.8514 6.2131 6.2131 6.8116 6.8116 10.4435 10.4435 11.4541 11.4541 12.6291 12.6291 13.8069 13.8069 16.6896 16.6896 k = 0.1220 0.3618 0.7085 ( 3352 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2814 -32.2814 -32.2657 -32.2657 2.3107 2.3107 2.4029 2.4029 2.4725 2.4725 2.5032 2.5032 3.7404 3.7404 4.0920 4.0920 4.3062 4.3062 4.4559 4.4559 4.5822 4.5822 4.8475 4.8475 6.2555 6.2555 6.8957 6.8957 10.5078 10.5078 11.4459 11.4459 12.4570 12.4570 13.6487 13.6487 16.5307 16.5307 k = 0.1280 0.3519 0.7201 ( 3350 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.3100 2.3100 2.4055 2.4055 2.4745 2.4745 2.5031 2.5031 3.7557 3.7557 4.0858 4.0858 4.2991 4.2991 4.4557 4.4557 4.5840 4.5840 4.8436 4.8436 6.3006 6.3006 6.9826 6.9826 10.5667 10.5667 11.4295 11.4295 12.2975 12.2975 13.5010 13.5010 16.3740 16.3740 k = 0.1341 0.3420 0.7317 ( 3352 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.3095 2.3095 2.4079 2.4079 2.4762 2.4762 2.5027 2.5027 3.7709 3.7709 4.0794 4.0794 4.2910 4.2910 4.4581 4.4581 4.5861 4.5861 4.8398 4.8398 6.3486 6.3486 7.0721 7.0721 10.6165 10.6165 11.4029 11.4029 12.1550 12.1550 13.3659 13.3659 16.2197 16.2197 k = 0.1402 0.3321 0.7433 ( 3350 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.3091 2.3091 2.4101 2.4101 2.4777 2.4777 2.5021 2.5021 3.7859 3.7859 4.0730 4.0730 4.2821 4.2821 4.4628 4.4628 4.5883 4.5883 4.8360 4.8360 6.3993 6.3993 7.1642 7.1642 10.6515 10.6515 11.3644 11.3644 12.0343 12.0343 13.2454 13.2454 16.0682 16.0682 k = 0.1463 0.3223 0.7549 ( 3352 PWs) bands (ev): -65.6215 -65.6215 -32.5624 -32.5624 -32.2816 -32.2816 -32.2658 -32.2658 2.3087 2.3087 2.4121 2.4121 2.4788 2.4788 2.5014 2.5014 3.8004 3.8004 4.0670 4.0670 4.2725 4.2725 4.4695 4.4695 4.5906 4.5906 4.8323 4.8323 6.4530 6.4530 7.2590 7.2590 10.6648 10.6648 11.3141 11.3141 11.9406 11.9406 13.1414 13.1414 15.9197 15.9197 k = 0.1524 0.3124 0.7665 ( 3350 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.3086 2.3086 2.4140 2.4140 2.4794 2.4794 2.5006 2.5006 3.8143 3.8143 4.0615 4.0615 4.2626 4.2626 4.4778 4.4778 4.5929 4.5929 4.8285 4.8285 6.5094 6.5094 7.3564 7.3564 10.6491 10.6491 11.2535 11.2535 11.8782 11.8782 13.0556 13.0556 15.7744 15.7744 k = 0.1585 0.3025 0.7782 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.3085 2.3085 2.4158 2.4158 2.4795 2.4795 2.4998 2.4998 3.8275 3.8275 4.0568 4.0568 4.2525 4.2525 4.4873 4.4873 4.5953 4.5953 4.8246 4.8246 6.5685 6.5685 7.4565 7.4565 10.6007 10.6007 11.1838 11.1838 11.8489 11.8489 12.9886 12.9886 15.6326 15.6326 k = 0.1646 0.2926 0.7898 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.3087 2.3087 2.4174 2.4174 2.4790 2.4790 2.4992 2.4992 3.8397 3.8397 4.0529 4.0529 4.2423 4.2423 4.4977 4.4977 4.5977 4.5977 4.8207 4.8207 6.6302 6.6302 7.5592 7.5592 10.5222 10.5222 11.1040 11.1040 11.8514 11.8514 12.9402 12.9402 15.4945 15.4945 k = 0.1707 0.2827 0.8014 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.3090 2.3090 2.4190 2.4190 2.4779 2.4779 2.4986 2.4986 3.8507 3.8507 4.0502 4.0502 4.2323 4.2323 4.5086 4.5086 4.6002 4.6002 4.8167 4.8167 6.6944 6.6944 7.6646 7.6646 10.4208 10.4208 11.0120 11.0120 11.8815 11.8815 12.9092 12.9092 15.3603 15.3603 k = 0.1768 0.2728 0.8130 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.3094 2.3094 2.4205 2.4205 2.4763 2.4763 2.4981 2.4981 3.8605 3.8605 4.0488 4.0488 4.2224 4.2224 4.5198 4.5198 4.6029 4.6029 4.8126 4.8126 6.7607 6.7607 7.7726 7.7726 10.3046 10.3046 10.9079 10.9079 11.9331 11.9331 12.8938 12.8938 15.2304 15.2304 k = 0.1829 0.2629 0.8246 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2817 -32.2817 -32.2658 -32.2658 2.3099 2.3099 2.4219 2.4219 2.4743 2.4743 2.4977 2.4977 3.8689 3.8689 4.0487 4.0487 4.2128 4.2128 4.5309 4.5309 4.6058 4.6058 4.8083 4.8083 6.8289 6.8289 7.8832 7.8832 10.1804 10.1804 10.7928 10.7928 12.0001 12.0001 12.8917 12.8917 15.1049 15.1049 k = 0.1890 0.2531 0.8362 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.3106 2.3106 2.4232 2.4232 2.4720 2.4720 2.4974 2.4974 3.8758 3.8758 4.0501 4.0501 4.2033 4.2033 4.5416 4.5416 4.6091 4.6091 4.8039 4.8039 6.8984 6.8984 7.9963 7.9963 10.0531 10.0531 10.6689 10.6689 12.0778 12.0778 12.9007 12.9007 14.9844 14.9844 k = 0.1951 0.2432 0.8478 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.3114 2.3114 2.4245 2.4245 2.4694 2.4694 2.4970 2.4970 3.8813 3.8813 4.0529 4.0529 4.1941 4.1941 4.5515 4.5515 4.6129 4.6129 4.7993 4.7993 6.9686 6.9686 8.1121 8.1121 9.9261 9.9261 10.5385 10.5385 12.1624 12.1624 12.9184 12.9184 14.8693 14.8693 k = 0.2012 0.2333 0.8595 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.3123 2.3123 2.4258 2.4258 2.4667 2.4667 2.4967 2.4967 3.8855 3.8855 4.0569 4.0569 4.1851 4.1851 4.5603 4.5603 4.6174 4.6174 4.7946 4.7946 7.0388 7.0388 8.2303 8.2303 9.8024 9.8024 10.4032 10.4032 12.2507 12.2507 12.9428 12.9428 14.7601 14.7601 k = 0.2073 0.2234 0.8711 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.3131 2.3131 2.4270 2.4270 2.4640 2.4640 2.4963 2.4963 3.8886 3.8886 4.0619 4.0619 4.1764 4.1764 4.5678 4.5678 4.6226 4.6226 4.7898 4.7898 7.1078 7.1078 8.3510 8.3510 9.6842 9.6842 10.2647 10.2647 12.3402 12.3402 12.9719 12.9719 14.6577 14.6577 k = 0.2134 0.2135 0.8827 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.3140 2.3140 2.4281 2.4281 2.4614 2.4614 2.4959 2.4959 3.8908 3.8908 4.0679 4.0679 4.1678 4.1678 4.5738 4.5738 4.6285 4.6285 4.7850 4.7850 7.1744 7.1744 8.4739 8.4739 9.5739 9.5739 10.1243 10.1243 12.4284 12.4284 13.0037 13.0037 14.5630 14.5630 k = 0.2195 0.2036 0.8943 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2659 -32.2659 2.3148 2.3148 2.4292 2.4292 2.4589 2.4589 2.4955 2.4955 3.8923 3.8923 4.0744 4.0744 4.1595 4.1595 4.5784 4.5784 4.6349 4.6349 4.7803 4.7803 7.2369 7.2369 8.5989 8.5989 9.4739 9.4739 9.9831 9.9831 12.5126 12.5126 13.0362 13.0362 14.4773 14.4773 k = 0.2256 0.1938 0.9059 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2659 -32.2659 2.3156 2.3156 2.4302 2.4302 2.4566 2.4566 2.4952 2.4952 3.8932 3.8932 4.0813 4.0813 4.1514 4.1514 4.5818 4.5818 4.6411 4.6411 4.7759 4.7759 7.2931 7.2931 8.7256 8.7256 9.3868 9.3868 9.8418 9.8418 12.5897 12.5897 13.0673 13.0673 14.4023 14.4023 k = 0.2317 0.1839 0.9175 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2659 -32.2659 2.3162 2.3162 2.4311 2.4311 2.4547 2.4547 2.4949 2.4949 3.8938 3.8938 4.0883 4.0883 4.1437 4.1437 4.5841 4.5841 4.6467 4.6467 4.7720 4.7720 7.3408 7.3408 8.8531 8.8531 9.3160 9.3160 9.7015 9.7015 12.6563 12.6563 13.0946 13.0946 14.3401 14.3401 k = 0.2378 0.1740 0.9291 ( 3368 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3167 2.3167 2.4318 2.4318 2.4532 2.4532 2.4947 2.4947 3.8941 3.8941 4.0950 4.0950 4.1366 4.1366 4.5857 4.5857 4.6513 4.6513 4.7689 4.7689 7.3774 7.3774 8.9785 8.9785 9.2660 9.2660 9.5634 9.5634 12.7083 12.7083 13.1160 13.1160 14.2931 14.2931 k = 0.2439 0.1641 0.9408 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3170 2.3170 2.4322 2.4322 2.4523 2.4523 2.4945 2.4945 3.8943 3.8943 4.1006 4.1006 4.1308 4.1308 4.5866 4.5866 4.6542 4.6542 4.7669 4.7669 7.4005 7.4005 9.0889 9.0889 9.2497 9.2497 9.4303 9.4303 12.7417 12.7417 13.1296 13.1296 14.2636 14.2636 k = 0.2500 0.1542 0.9524 ( 3368 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3171 2.3171 2.4324 2.4324 2.4520 2.4520 2.4945 2.4945 3.8943 3.8943 4.1030 4.1030 4.1283 4.1283 4.5868 4.5868 4.6552 4.6552 4.7662 4.7662 7.4084 7.4084 9.1349 9.1349 9.2953 9.2953 9.3255 9.3255 12.7532 12.7532 13.1343 13.1343 14.2536 14.2536 k = 0.2500 0.1542 0.9524 ( 3368 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3171 2.3171 2.4324 2.4324 2.4520 2.4520 2.4945 2.4945 3.8943 3.8943 4.1030 4.1030 4.1283 4.1283 4.5868 4.5868 4.6552 4.6552 4.7662 4.7662 7.4084 7.4084 9.1349 9.1349 9.2953 9.2953 9.3255 9.3255 12.7532 12.7532 13.1343 13.1343 14.2536 14.2536 k = 0.2619 0.1616 0.9437 ( 3368 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3166 2.3166 2.4325 2.4325 2.4523 2.4523 2.4945 2.4945 3.8940 3.8940 4.1022 4.1022 4.1294 4.1294 4.5861 4.5861 4.6559 4.6559 4.7666 4.7666 7.4065 7.4065 9.1057 9.1057 9.2601 9.2601 9.3962 9.3962 12.7106 12.7106 13.1753 13.1753 14.2012 14.2012 k = 0.2738 0.1689 0.9351 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3149 2.3149 2.4323 2.4323 2.4537 2.4537 2.4949 2.4949 3.8930 3.8930 4.1000 4.1000 4.1325 4.1325 4.5844 4.5844 4.6573 4.6573 4.7675 4.7675 7.4013 7.4013 9.0521 9.0521 9.2136 9.2136 9.5146 9.5146 12.6086 12.6086 13.2721 13.2721 14.1089 14.1089 k = 0.2857 0.1762 0.9265 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3123 2.3123 2.4319 2.4319 2.4560 2.4560 2.4957 2.4957 3.8914 3.8914 4.0969 4.0969 4.1370 4.1370 4.5820 4.5820 4.6594 4.6594 4.7689 4.7689 7.3939 7.3939 8.9950 8.9950 9.1667 9.1667 9.6476 9.6476 12.4802 12.4802 13.3909 13.3909 14.0195 14.0195 k = 0.2976 0.1836 0.9179 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3088 2.3088 2.4313 2.4313 2.4589 2.4589 2.4969 2.4969 3.8893 3.8893 4.0935 4.0935 4.1425 4.1425 4.5791 4.5791 4.6618 4.6618 4.7708 4.7708 7.3850 7.3850 8.9389 8.9389 9.1197 9.1197 9.7895 9.7895 12.3391 12.3391 13.5141 13.5141 13.9463 13.9463 k = 0.3095 0.1909 0.9092 ( 3363 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2659 -32.2659 2.3048 2.3048 2.4305 2.4305 2.4622 2.4622 2.4983 2.4983 3.8867 3.8867 4.0899 4.0899 4.1486 4.1486 4.5761 4.5761 4.6642 4.6642 4.7731 4.7731 7.3755 7.3755 8.8856 8.8856 9.0723 9.0723 9.9377 9.9377 12.1913 12.1913 13.6195 13.6195 13.9085 13.9085 k = 0.3214 0.1983 0.9006 ( 3363 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2659 -32.2659 2.3005 2.3005 2.4296 2.4296 2.4658 2.4658 2.5001 2.5001 3.8838 3.8838 4.0863 4.0863 4.1550 4.1550 4.5732 4.5732 4.6665 4.6665 4.7758 4.7758 7.3657 7.3657 8.8356 8.8356 9.0243 9.0243 10.0910 10.0910 12.0402 12.0402 13.6616 13.6616 13.9498 13.9498 k = 0.3333 0.2056 0.8920 ( 3365 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2659 -32.2659 2.2959 2.2959 2.4285 2.4285 2.4695 2.4695 2.5020 2.5020 3.8805 3.8805 4.0828 4.0828 4.1617 4.1617 4.5705 4.5705 4.6683 4.6683 4.7789 4.7789 7.3561 7.3561 8.7893 8.7893 8.9756 8.9756 10.2481 10.2481 11.8886 11.8886 13.6420 13.6420 14.0670 14.0670 k = 0.3452 0.2130 0.8833 ( 3367 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2659 -32.2659 2.2914 2.2914 2.4274 2.4274 2.4730 2.4730 2.5041 2.5041 3.8771 3.8771 4.0794 4.0794 4.1685 4.1685 4.5682 4.5682 4.6697 4.6697 4.7824 4.7824 7.3469 7.3469 8.7469 8.7469 8.9258 8.9258 10.4075 10.4075 11.7392 11.7392 13.6053 13.6053 14.2143 14.2143 k = 0.3571 0.2203 0.8747 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2871 2.2871 2.4262 2.4262 2.4763 2.4763 2.5064 2.5064 3.8736 3.8736 4.0761 4.0761 4.1753 4.1753 4.5663 4.5663 4.6704 4.6704 4.7862 4.7862 7.3384 7.3384 8.7083 8.7083 8.8749 8.8749 10.5671 10.5671 11.5950 11.5950 13.5683 13.5683 14.3739 14.3739 k = 0.3690 0.2277 0.8661 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2830 2.2830 2.4250 2.4250 2.4791 2.4791 2.5089 2.5089 3.8700 3.8700 4.0728 4.0728 4.1821 4.1821 4.5648 4.5648 4.6705 4.6705 4.7902 4.7902 7.3308 7.3308 8.6732 8.6732 8.8230 8.8230 10.7224 10.7224 11.4616 11.4616 13.5356 13.5356 14.5407 14.5407 k = 0.3810 0.2350 0.8575 ( 3357 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2793 2.2793 2.4238 2.4238 2.4814 2.4814 2.5116 2.5116 3.8666 3.8666 4.0696 4.0696 4.1887 4.1887 4.5638 4.5638 4.6700 4.6700 4.7944 4.7944 7.3241 7.3241 8.6405 8.6405 8.7708 8.7708 10.8599 10.8599 11.3530 11.3530 13.5087 13.5087 14.7126 14.7126 k = 0.3929 0.2423 0.8488 ( 3361 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2760 2.2760 2.4227 2.4227 2.4830 2.4830 2.5144 2.5144 3.8633 3.8633 4.0664 4.0664 4.1952 4.1952 4.5632 4.5632 4.6687 4.6687 4.7986 4.7986 7.3184 7.3184 8.6079 8.6079 8.7206 8.7206 10.9362 10.9362 11.3132 11.3132 13.4882 13.4882 14.8888 14.8888 k = 0.4048 0.2497 0.8402 ( 3359 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2732 2.2732 2.4216 2.4216 2.4841 2.4841 2.5174 2.5174 3.8601 3.8601 4.0632 4.0632 4.2014 4.2014 4.5632 4.5632 4.6669 4.6669 4.8028 4.8028 7.3137 7.3137 8.5697 8.5697 8.6773 8.6773 10.9048 10.9048 11.3892 11.3892 13.4745 13.4745 15.0686 15.0686 k = 0.4167 0.2570 0.8316 ( 3355 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2709 2.2709 2.4205 2.4205 2.4846 2.4846 2.5203 2.5203 3.8573 3.8573 4.0599 4.0599 4.2073 4.2073 4.5636 4.5636 4.6645 4.6645 4.8067 4.8067 7.3100 7.3100 8.5199 8.5199 8.6471 8.6471 10.8173 10.8173 11.5294 11.5294 13.4681 13.4681 15.2515 15.2515 k = 0.4286 0.2644 0.8229 ( 3361 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2693 2.2693 2.4195 2.4195 2.4845 2.4845 2.5231 2.5231 3.8548 3.8548 4.0566 4.0566 4.2130 4.2130 4.5643 4.5643 4.6616 4.6616 4.8105 4.8105 7.3072 7.3072 8.4579 8.4579 8.6302 8.6302 10.7182 10.7182 11.6891 11.6891 13.4699 13.4699 15.4371 15.4371 k = 0.4405 0.2717 0.8143 ( 3361 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2682 2.2682 2.4185 2.4185 2.4840 2.4840 2.5258 2.5258 3.8526 3.8526 4.0531 4.0531 4.2185 4.2185 4.5654 4.5654 4.6583 4.6583 4.8138 4.8138 7.3050 7.3050 8.3869 8.3869 8.6234 8.6234 10.6212 10.6212 11.8537 11.8537 13.4808 13.4808 15.6246 15.6246 k = 0.4524 0.2791 0.8057 ( 3363 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2677 2.2677 2.4177 2.4177 2.4831 2.4831 2.5282 2.5282 3.8507 3.8507 4.0495 4.0495 4.2237 4.2237 4.5666 4.5666 4.6547 4.6547 4.8168 4.8168 7.3030 7.3030 8.3097 8.3097 8.6245 8.6245 10.5308 10.5308 12.0176 12.0176 13.5022 13.5022 15.8130 15.8130 k = 0.4643 0.2864 0.7971 ( 3361 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2679 2.2679 2.4169 2.4169 2.4819 2.4819 2.5303 2.5303 3.8493 3.8493 4.0456 4.0456 4.2288 4.2288 4.5679 4.5679 4.6510 4.6510 4.8193 4.8193 7.3009 7.3009 8.2279 8.2279 8.6322 8.6322 10.4488 10.4488 12.1770 12.1770 13.5362 13.5362 16.0004 16.0004 k = 0.4762 0.2937 0.7884 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2817 -32.2817 -32.2658 -32.2658 2.2686 2.2686 2.4161 2.4161 2.4805 2.4805 2.5320 2.5320 3.8483 3.8483 4.0415 4.0415 4.2337 4.2337 4.5689 4.5689 4.6472 4.6472 4.8212 4.8212 7.2976 7.2976 8.1432 8.1432 8.6460 8.6460 10.3760 10.3760 12.3282 12.3282 13.5850 13.5850 16.1822 16.1822 k = 0.4881 0.3011 0.7798 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2817 -32.2817 -32.2658 -32.2658 2.2699 2.2699 2.4155 2.4155 2.4788 2.4788 2.5334 2.5334 3.8476 3.8476 4.0371 4.0371 4.2384 4.2384 4.5694 4.5694 4.6438 4.6438 4.8226 4.8226 7.2919 7.2919 8.0578 8.0578 8.6655 8.6655 10.3127 10.3127 12.4679 12.4679 13.6514 13.6514 16.3439 16.3439 k = 0.5000 0.3084 0.7712 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2717 2.2717 2.4148 2.4148 2.4771 2.4771 2.5344 2.5344 3.8473 3.8473 4.0324 4.0324 4.2431 4.2431 4.5691 4.5691 4.6408 4.6408 4.8235 4.8235 7.2817 7.2817 7.9743 7.9743 8.6906 8.6906 10.2587 10.2587 12.5932 12.5932 13.7376 13.7376 16.4350 16.4350 k = 0.5000 0.3084 0.7712 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2717 2.2717 2.4148 2.4148 2.4771 2.4771 2.5344 2.5344 3.8473 3.8473 4.0324 4.0324 4.2431 4.2431 4.5691 4.5691 4.6408 4.6408 4.8235 4.8235 7.2817 7.2817 7.9743 7.9743 8.6906 8.6906 10.2587 10.2587 12.5932 12.5932 13.7376 13.7376 16.4350 16.4350 k = 0.5000 0.3084 0.7548 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2757 2.2757 2.4135 2.4135 2.4737 2.4737 2.5361 2.5361 3.8471 3.8471 4.0228 4.0228 4.2522 4.2522 4.5655 4.5655 4.6379 4.6379 4.8246 4.8246 7.2544 7.2544 7.8208 7.8208 8.7458 8.7458 10.1677 10.1677 12.8178 12.8178 13.9233 13.9233 16.4849 16.4849 k = 0.5000 0.3084 0.7384 ( 3358 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2817 -32.2817 -32.2658 -32.2658 2.2796 2.2796 2.4120 2.4120 2.4703 2.4703 2.5378 2.5378 3.8468 3.8468 4.0128 4.0128 4.2619 4.2619 4.5580 4.5580 4.6389 4.6389 4.8257 4.8257 7.2230 7.2230 7.6706 7.6706 8.8053 8.8053 10.0827 10.0827 13.0455 13.0455 14.1121 14.1121 16.5389 16.5389 k = 0.5000 0.3084 0.7219 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2835 2.2835 2.4101 2.4101 2.4672 2.4672 2.5398 2.5398 3.8465 3.8465 4.0022 4.0022 4.2720 4.2720 4.5475 4.5475 4.6431 4.6431 4.8268 4.8268 7.1869 7.1869 7.5244 7.5244 8.8686 8.8686 10.0046 10.0046 13.2757 13.2757 14.3039 14.3039 16.5969 16.5969 k = 0.5000 0.3084 0.7055 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2872 2.2872 2.4079 2.4079 2.4643 2.4643 2.5418 2.5418 3.8462 3.8462 3.9913 3.9913 4.2825 4.2825 4.5351 4.5351 4.6494 4.6494 4.8281 4.8281 7.1446 7.1446 7.3839 7.3839 8.9355 8.9355 9.9338 9.9338 13.5079 13.5079 14.4986 14.4986 16.6587 16.6587 k = 0.5000 0.3084 0.6891 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2816 -32.2816 -32.2658 -32.2658 2.2907 2.2907 2.4054 2.4054 2.4617 2.4617 2.5439 2.5439 3.8458 3.8458 3.9800 3.9800 4.2933 4.2933 4.5217 4.5217 4.6569 4.6569 4.8295 4.8295 7.0924 7.0924 7.2530 7.2530 9.0056 9.0056 9.8709 9.8709 13.7416 13.7416 14.6960 14.6960 16.7243 16.7243 k = 0.5000 0.3084 0.6727 ( 3368 PWs) bands (ev): -65.6215 -65.6215 -32.5625 -32.5625 -32.2815 -32.2815 -32.2658 -32.2658 2.2939 2.2939 2.4025 2.4025 2.4595 2.4595 2.5460 2.5460 3.8454 3.8454 3.9684 3.9684 4.3043 4.3043 4.5077 4.5077 4.6652 4.6652 4.8312 4.8312 7.0200 7.0200 7.1419 7.1419 9.0784 9.0784 9.8162 9.8162 13.9764 13.9764 14.8960 14.8960 16.7934 16.7934 k = 0.5000 0.3084 0.6563 ( 3372 PWs) bands (ev): -65.6216 -65.6216 -32.5625 -32.5625 -32.2815 -32.2815 -32.2658 -32.2658 2.2968 2.2968 2.3994 2.3994 2.4577 2.4577 2.5482 2.5482 3.8448 3.8448 3.9564 3.9564 4.3154 4.3154 4.4937 4.4937 4.6739 4.6739 4.8332 4.8332 6.9185 6.9185 7.0599 7.0599 9.1536 9.1536 9.7704 9.7704 14.2117 14.2117 15.0985 15.0985 16.8659 16.8659 k = 0.5000 0.3084 0.6399 ( 3372 PWs) bands (ev): -65.6216 -65.6216 -32.5624 -32.5624 -32.2815 -32.2815 -32.2658 -32.2658 2.2992 2.2992 2.3962 2.3962 2.4563 2.4563 2.5502 2.5502 3.8442 3.8442 3.9442 3.9442 4.3264 4.3264 4.4798 4.4798 4.6827 4.6827 4.8357 4.8357 6.8011 6.8011 6.9938 6.9938 9.2306 9.2306 9.7340 9.7340 14.4468 14.4468 15.3035 15.3035 16.9411 16.9411 k = 0.5000 0.3084 0.6235 ( 3372 PWs) bands (ev): -65.6216 -65.6216 -32.5624 -32.5624 -32.2814 -32.2814 -32.2658 -32.2658 2.3012 2.3012 2.3930 2.3930 2.4552 2.4552 2.5522 2.5522 3.8436 3.8436 3.9317 3.9317 4.3371 4.3371 4.4664 4.4664 4.6915 4.6915 4.8388 4.8388 6.6811 6.6811 6.9309 6.9309 9.3082 9.3082 9.7080 9.7080 14.6813 14.6813 15.5109 15.5109 17.0188 17.0188 k = 0.5000 0.3084 0.6071 ( 3368 PWs) bands (ev): -65.6216 -65.6216 -32.5624 -32.5624 -32.2814 -32.2814 -32.2658 -32.2658 2.3025 2.3025 2.3899 2.3899 2.4544 2.4544 2.5539 2.5539 3.8428 3.8428 3.9189 3.9189 4.3471 4.3471 4.4538 4.4538 4.7000 4.7000 4.8425 4.8425 6.5627 6.5627 6.8670 6.8670 9.3844 9.3844 9.6942 9.6942 14.9141 14.9141 15.7205 15.7205 17.0981 17.0981 k = 0.5000 0.3084 0.5907 ( 3360 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2658 -32.2658 2.3033 2.3033 2.3871 2.3871 2.4539 2.4539 2.5554 2.5554 3.8420 3.8420 3.9058 3.9058 4.3561 4.3561 4.4426 4.4426 4.7081 4.7081 4.8469 4.8469 6.4478 6.4478 6.8009 6.8009 9.4553 9.4553 9.6962 9.6962 15.1446 15.1446 15.9322 15.9322 17.1784 17.1784 k = 0.5000 0.3084 0.5743 ( 3356 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2658 -32.2658 2.3034 2.3034 2.3848 2.3848 2.4536 2.4536 2.5567 2.5567 3.8411 3.8411 3.8923 3.8923 4.3629 4.3629 4.4336 4.4336 4.7157 4.7157 4.8522 4.8522 6.3369 6.3369 6.7323 6.7323 9.5143 9.5143 9.7207 9.7207 15.3716 15.3716 16.1458 16.1458 17.2593 17.2593 k = 0.5000 0.3084 0.5579 ( 3362 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2813 -32.2813 -32.2658 -32.2658 2.3028 2.3028 2.3829 2.3829 2.4536 2.4536 2.5575 2.5575 3.8400 3.8400 3.8786 3.8786 4.3663 4.3663 4.4283 4.4283 4.7226 4.7226 4.8585 4.8585 6.2304 6.2304 6.6613 6.6613 9.5565 9.5565 9.7717 9.7717 15.5941 15.5941 16.3609 16.3609 17.3407 17.3407 k = 0.5000 0.3084 0.5415 ( 3366 PWs) bands (ev): -65.6216 -65.6216 -32.5623 -32.5623 -32.2812 -32.2812 -32.2658 -32.2658 2.3015 2.3015 2.3817 2.3817 2.4536 2.4536 2.5580 2.5580 3.8382 3.8382 3.8650 3.8650 4.3651 4.3651 4.4276 4.4276 4.7289 4.7289 4.8656 4.8656 6.1287 6.1287 6.5883 6.5883 9.5871 9.5871 9.8441 9.8441 15.8107 15.8107 16.5774 16.5774 17.4229 17.4229 k = 0.5000 0.3084 0.5251 ( 3362 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2812 -32.2812 -32.2658 -32.2658 2.2996 2.2996 2.3810 2.3810 2.4538 2.4538 2.5581 2.5581 3.8342 3.8342 3.8531 3.8531 4.3600 4.3600 4.4310 4.4310 4.7346 4.7346 4.8736 4.8736 6.0319 6.0319 6.5133 6.5133 9.6145 9.6145 9.9291 9.9291 16.0201 16.0201 16.7947 16.7947 17.5064 17.5064 k = 0.5000 0.3084 0.5086 ( 3360 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2658 -32.2658 2.2971 2.2971 2.3809 2.3809 2.4541 2.4541 2.5577 2.5577 3.8243 3.8243 3.8465 3.8465 4.3526 4.3526 4.4366 4.4366 4.7396 4.7396 4.8824 4.8824 5.9402 5.9402 6.4370 6.4370 9.6438 9.6438 10.0211 10.0211 16.2210 16.2210 17.0123 17.0123 17.5917 17.5917 k = 0.5000 0.3084 0.4922 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5622 -32.5622 -32.2811 -32.2811 -32.2657 -32.2657 2.2943 2.2943 2.3814 2.3814 2.4544 2.4544 2.5568 2.5568 3.8091 3.8091 3.8445 3.8445 4.3442 4.3442 4.4432 4.4432 4.7441 4.7441 4.8918 4.8918 5.8536 5.8536 6.3595 6.3595 9.6772 9.6772 10.1176 10.1176 16.4120 16.4120 17.2296 17.2296 17.6795 17.6795 k = 0.5000 0.3084 0.4758 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2911 2.2911 2.3823 2.3823 2.4548 2.4548 2.5555 2.5555 3.7914 3.7914 3.8441 3.8441 4.3355 4.3355 4.4499 4.4499 4.7481 4.7481 4.9018 4.9018 5.7723 5.7723 6.2813 6.2813 9.7157 9.7157 10.2172 10.2172 16.5922 16.5922 17.4452 17.4452 17.7705 17.7705 k = 0.5000 0.3084 0.4594 ( 3358 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2810 -32.2810 -32.2657 -32.2657 2.2878 2.2878 2.3836 2.3836 2.4552 2.4552 2.5537 2.5537 3.7722 3.7722 3.8446 3.8446 4.3272 4.3272 4.4563 4.4563 4.7516 4.7516 4.9123 4.9123 5.6963 5.6963 6.2027 6.2027 9.7597 9.7597 10.3192 10.3192 16.7607 16.7607 17.6556 17.6556 17.8675 17.8675 k = 0.5000 0.3084 0.4430 ( 3358 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2809 -32.2809 -32.2657 -32.2657 2.2843 2.2843 2.3853 2.3853 2.4557 2.4557 2.5514 2.5514 3.7515 3.7515 3.8457 3.8457 4.3192 4.3192 4.4621 4.4621 4.7547 4.7547 4.9230 4.9230 5.6257 5.6257 6.1241 6.1241 9.8094 9.8094 10.4231 10.4231 16.9168 16.9168 17.8470 17.8470 17.9833 17.9833 k = 0.5000 0.3084 0.4266 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5621 -32.5621 -32.2809 -32.2809 -32.2657 -32.2657 2.2809 2.2809 2.3872 2.3872 2.4562 2.4562 2.5488 2.5488 3.7295 3.7295 3.8474 3.8474 4.3119 4.3119 4.4671 4.4671 4.7574 4.7574 4.9339 4.9339 5.5603 5.5603 6.0459 6.0459 9.8647 9.8647 10.5287 10.5287 17.0597 17.0597 17.9856 17.9856 18.1484 18.1484 k = 0.5000 0.3084 0.4102 ( 3362 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2809 -32.2809 -32.2657 -32.2657 2.2775 2.2775 2.3892 2.3892 2.4567 2.4567 2.5457 2.5457 3.7063 3.7063 3.8497 3.8497 4.3054 4.3054 4.4714 4.4714 4.7595 4.7595 4.9449 4.9449 5.5001 5.5001 5.9685 5.9685 9.9256 9.9256 10.6356 10.6356 17.1882 17.1882 18.0827 18.0827 18.3443 18.3443 k = 0.5000 0.3084 0.3938 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2808 -32.2808 -32.2657 -32.2657 2.2743 2.2743 2.3914 2.3914 2.4572 2.4572 2.5423 2.5423 3.6818 3.6818 3.8525 3.8525 4.2996 4.2996 4.4747 4.4747 4.7610 4.7610 4.9558 4.9558 5.4449 5.4449 5.8923 5.8923 9.9919 9.9919 10.7437 10.7437 17.2994 17.2994 18.1585 18.1585 18.5198 18.5198 k = 0.5000 0.3084 0.3774 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5620 -32.5620 -32.2807 -32.2807 -32.2657 -32.2657 2.2712 2.2712 2.3937 2.3937 2.4577 2.4577 2.5387 2.5387 3.6562 3.6562 3.8559 3.8559 4.2946 4.2946 4.4773 4.4773 4.7618 4.7618 4.9666 4.9666 5.3945 5.3945 5.8176 5.8176 10.0636 10.0636 10.8528 10.8528 17.3876 17.3876 18.2105 18.2105 18.5988 18.5988 k = 0.5000 0.3084 0.3610 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2657 -32.2657 2.2683 2.2683 2.3960 2.3960 2.4583 2.4583 2.5348 2.5348 3.6297 3.6297 3.8600 3.8600 4.2904 4.2904 4.4790 4.4790 4.7616 4.7616 4.9772 4.9772 5.3484 5.3484 5.7451 5.7451 10.1406 10.1406 10.9626 10.9626 17.4422 17.4422 18.2370 18.2370 18.6473 18.6473 k = 0.5000 0.3084 0.3446 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2807 -32.2807 -32.2657 -32.2657 2.2656 2.2656 2.3983 2.3983 2.4589 2.4589 2.5308 2.5308 3.6025 3.6025 3.8647 3.8647 4.2871 4.2871 4.4801 4.4801 4.7605 4.7605 4.9875 4.9875 5.3061 5.3061 5.6752 5.6752 10.2226 10.2226 11.0730 11.0730 17.4488 17.4488 18.2543 18.2543 18.7063 18.7063 k = 0.5000 0.3084 0.3282 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2656 -32.2656 2.2632 2.2632 2.4004 2.4004 2.4595 2.4595 2.5267 2.5267 3.5747 3.5747 3.8699 3.8699 4.2845 4.2845 4.4805 4.4805 4.7583 4.7583 4.9975 4.9975 5.2669 5.2669 5.6088 5.6088 10.3096 10.3096 11.1838 11.1838 17.3975 17.3975 18.2864 18.2864 18.7614 18.7614 k = 0.5000 0.3084 0.3117 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5619 -32.5619 -32.2806 -32.2806 -32.2656 -32.2656 2.2610 2.2610 2.4024 2.4024 2.4601 2.4601 2.5225 2.5225 3.5467 3.5467 3.8758 3.8758 4.2827 4.2827 4.4803 4.4803 4.7548 4.7548 5.0072 5.0072 5.2297 5.2297 5.5468 5.5468 10.4013 10.4013 11.2948 11.2948 17.2928 17.2928 18.3429 18.3429 18.7666 18.7666 k = 0.5000 0.3084 0.2953 ( 3342 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2656 -32.2656 2.2590 2.2590 2.4043 2.4043 2.4607 2.4607 2.5184 2.5184 3.5187 3.5187 3.8823 3.8823 4.2816 4.2816 4.4797 4.4797 4.7502 4.7502 5.0164 5.0164 5.1934 5.1934 5.4901 5.4901 10.4976 10.4976 11.4058 11.4058 17.1490 17.1490 18.4175 18.4175 18.6956 18.6956 k = 0.5000 0.3084 0.2789 ( 3346 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2656 -32.2656 2.2573 2.2573 2.4059 2.4059 2.4613 2.4613 2.5145 2.5145 3.4909 3.4909 3.8894 3.8894 4.2811 4.2811 4.4786 4.4786 4.7445 4.7445 5.0250 5.0250 5.1567 5.1567 5.4401 5.4401 10.5982 10.5982 11.5167 11.5167 16.9796 16.9796 18.4813 18.4813 18.6082 18.6082 k = 0.5000 0.3084 0.2625 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2805 -32.2805 -32.2657 -32.2657 2.2558 2.2558 2.4073 2.4073 2.4618 2.4618 2.5108 2.5108 3.4636 3.4636 3.8971 3.8971 4.2813 4.2813 4.4773 4.4773 4.7377 4.7377 5.0324 5.0324 5.1188 5.1188 5.3976 5.3976 10.7028 10.7028 11.6271 11.6271 16.7942 16.7942 18.4148 18.4148 18.6461 18.6461 k = 0.5000 0.3084 0.2461 ( 3348 PWs) bands (ev): -65.6216 -65.6216 -32.5618 -32.5618 -32.2804 -32.2804 -32.2656 -32.2656 2.2545 2.2545 2.4084 2.4084 2.4622 2.4622 2.5075 2.5075 3.4371 3.4371 3.9054 3.9054 4.2820 4.2820 4.4757 4.4757 4.7300 4.7300 5.0360 5.0360 5.0819 5.0819 5.3630 5.3630 10.8111 10.8111 11.7369 11.7369 16.5991 16.5991 18.2870 18.2870 18.7466 18.7466 k = 0.5000 0.3084 0.2297 ( 3340 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2656 -32.2656 2.2535 2.2535 2.4093 2.4093 2.4623 2.4623 2.5046 2.5046 3.4115 3.4115 3.9142 3.9142 4.2832 4.2832 4.4740 4.4740 4.7216 4.7216 5.0192 5.0192 5.0625 5.0625 5.3359 5.3359 10.9227 10.9227 11.8459 11.8459 16.3982 16.3982 18.1528 18.1528 18.8571 18.8571 k = 0.5000 0.3084 0.2133 ( 3346 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2804 -32.2804 -32.2656 -32.2656 2.2526 2.2526 2.4100 2.4100 2.4620 2.4620 2.5023 2.5023 3.3872 3.3872 3.9235 3.9235 4.2848 4.2848 4.4721 4.4721 4.7127 4.7127 4.9790 4.9790 5.0645 5.0645 5.3153 5.3153 11.0372 11.0372 11.9539 11.9539 16.1943 16.1943 18.0191 18.0191 18.9715 18.9715 k = 0.5000 0.3084 0.1969 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2519 2.2519 2.4105 2.4105 2.4613 2.4613 2.5007 2.5007 3.3642 3.3642 3.9333 3.9333 4.2867 4.2867 4.4702 4.4702 4.7035 4.7035 4.9340 4.9340 5.0702 5.0702 5.2999 5.2999 11.1539 11.1539 12.0606 12.0606 15.9892 15.9892 17.8887 17.8887 19.0879 19.0879 k = 0.5000 0.3084 0.1805 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2514 2.2514 2.4108 2.4108 2.4600 2.4600 2.4997 2.4997 3.3427 3.3427 3.9435 3.9435 4.2889 4.2889 4.4682 4.4682 4.6940 4.6940 4.8885 4.8885 5.0762 5.0762 5.2886 5.2886 11.2720 11.2720 12.1660 12.1660 15.7847 15.7847 17.7629 17.7629 19.2051 19.2051 k = 0.5000 0.3084 0.1641 ( 3354 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2510 2.2510 2.4110 2.4110 2.4583 2.4583 2.4993 2.4993 3.3230 3.3230 3.9540 3.9540 4.2912 4.2912 4.4662 4.4662 4.6845 4.6845 4.8441 4.8441 5.0822 5.0822 5.2804 5.2804 11.3906 11.3906 12.2700 12.2700 15.5818 15.5818 17.6432 17.6432 19.3219 19.3219 k = 0.5000 0.3084 0.1477 ( 3358 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2507 2.2507 2.4112 2.4112 2.4562 2.4562 2.4994 2.4994 3.3049 3.3049 3.9648 3.9648 4.2936 4.2936 4.4643 4.4643 4.6750 4.6750 4.8018 4.8018 5.0877 5.0877 5.2744 5.2744 11.5085 11.5085 12.3726 12.3726 15.3817 15.3817 17.5304 17.5304 19.4370 19.4370 k = 0.5000 0.3084 0.1313 ( 3360 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2505 2.2505 2.4114 2.4114 2.4538 2.4538 2.4998 2.4998 3.2887 3.2887 3.9757 3.9757 4.2960 4.2960 4.4623 4.4623 4.6653 4.6653 4.7626 4.7626 5.0928 5.0928 5.2702 5.2702 11.6240 11.6240 12.4739 12.4739 15.1856 15.1856 17.4258 17.4258 19.5491 19.5491 k = 0.5000 0.3084 0.1149 ( 3364 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2803 -32.2803 -32.2656 -32.2656 2.2504 2.2504 2.4116 2.4116 2.4513 2.4513 2.5005 2.5005 3.2744 3.2744 3.9865 3.9865 4.2984 4.2984 4.4604 4.4604 4.6553 4.6553 4.7275 4.7275 5.0974 5.0974 5.2672 5.2672 11.7352 11.7352 12.5742 12.5742 14.9947 14.9947 17.3302 17.3302 19.6565 19.6565 k = 0.5000 0.3084 0.0984 ( 3360 PWs) bands (ev): -65.6216 -65.6216 -32.5617 -32.5617 -32.2802 -32.2802 -32.2656 -32.2656 2.2503 2.2503 2.4119 2.4119 2.4487 2.4487 2.5013 2.5013 3.2620 3.2620 3.9970 3.9970 4.3005 4.3005 4.4584 4.4584 4.6440 4.6440 4.6980 4.6980 5.1014 5.1014 5.2652 5.2652 11.8397 11.8397 12.6736 12.6736 14.8107 14.8107 17.2448 17.2448 19.7571 19.7571 k = 0.5000 0.3084 0.0820 ( 3356 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2503 2.2503 2.4122 2.4122 2.4462 2.4462 2.5021 2.5021 3.2515 3.2515 4.0069 4.0069 4.3024 4.3024 4.4564 4.4564 4.6303 4.6303 4.6760 4.6760 5.1049 5.1049 5.2638 5.2638 11.9347 11.9347 12.7722 12.7722 14.6356 14.6356 17.1704 17.1704 19.8486 19.8486 k = 0.5000 0.3084 0.0656 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2503 2.2503 2.4126 2.4126 2.4439 2.4439 2.5028 2.5028 3.2430 3.2430 4.0159 4.0159 4.3040 4.3040 4.4545 4.4545 4.6144 4.6144 4.6619 4.6619 5.1077 5.1077 5.2628 5.2628 12.0174 12.0174 12.8688 12.8688 14.4727 14.4727 17.1080 17.1080 19.9281 19.9281 k = 0.5000 0.3084 0.0492 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2503 2.2503 2.4131 2.4131 2.4419 2.4419 2.5034 2.5034 3.2363 3.2363 4.0234 4.0234 4.3052 4.3052 4.4527 4.4527 4.5992 4.5992 4.6533 4.6533 5.1100 5.1100 5.2622 5.2622 12.0849 12.0849 12.9606 12.9606 14.3271 14.3271 17.0584 17.0584 19.9920 19.9920 k = 0.5000 0.3084 0.0328 ( 3352 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2504 2.2504 2.4134 2.4134 2.4404 2.4404 2.5039 2.5039 3.2316 3.2316 4.0292 4.0292 4.3060 4.3060 4.4511 4.4511 4.5872 4.5872 4.6480 4.6480 5.1116 5.1116 5.2619 5.2619 12.1348 12.1348 13.0411 13.0411 14.2069 14.2069 17.0224 17.0224 20.0302 20.0302 k = 0.5000 0.3084 0.0164 ( 3344 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2802 -32.2802 -32.2656 -32.2656 2.2504 2.2504 2.4137 2.4137 2.4394 2.4394 2.5042 2.5042 3.2288 3.2288 4.0329 4.0329 4.3065 4.3065 4.4500 4.4500 4.5796 4.5796 4.6452 4.6452 5.1126 5.1126 5.2617 5.2617 12.1654 12.1654 13.0991 13.0991 14.1246 14.1246 17.0006 17.0006 20.0352 20.0353 k = 0.5000 0.3084 0.0000 ( 3332 PWs) bands (ev): -65.6216 -65.6216 -32.5616 -32.5616 -32.2801 -32.2801 -32.2656 -32.2656 2.2504 2.2504 2.4138 2.4138 2.4390 2.4390 2.5043 2.5043 3.2279 3.2279 4.0341 4.0341 4.3067 4.3067 4.4497 4.4497 4.5771 4.5771 4.6442 4.6442 5.1129 5.1129 5.2617 5.2617 12.1758 12.1758 13.1208 13.1208 14.0948 14.0948 16.9933 16.9933 20.0349 20.0349 k = 0.0000 0.0000 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2435 2.2435 2.4156 2.4156 2.5024 2.5024 2.5305 2.5305 3.8486 3.8486 4.0883 4.0883 4.1940 4.1940 4.5408 4.5408 4.7181 4.7181 4.8098 4.8098 7.4007 7.4007 8.3611 8.3611 9.5057 9.5057 10.6124 10.6124 11.4205 11.4205 12.1965 12.1965 16.1691 16.1691 k = 0.0139 0.0086 0.9524 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2439 2.2439 2.4157 2.4157 2.5021 2.5021 2.5303 2.5303 3.8489 3.8489 4.0884 4.0884 4.1936 4.1936 4.5410 4.5410 4.7178 4.7178 4.8093 4.8093 7.4007 7.4007 8.3641 8.3641 9.5040 9.5040 10.6035 10.6035 11.4233 11.4233 12.2110 12.2110 16.0914 16.0914 k = 0.0278 0.0171 0.9524 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2452 2.2452 2.4159 2.4159 2.5014 2.5014 2.5296 2.5296 3.8497 3.8497 4.0886 4.0886 4.1923 4.1923 4.5417 4.5417 4.7171 4.7171 4.8080 4.8080 7.4009 7.4009 8.3729 8.3729 9.4988 9.4988 10.5771 10.5771 11.4325 11.4325 12.2530 12.2530 15.9263 15.9263 k = 0.0417 0.0257 0.9524 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2473 2.2473 2.4164 2.4164 2.5002 2.5002 2.5284 2.5284 3.8511 3.8511 4.0891 4.0891 4.1902 4.1902 4.5428 4.5428 4.7159 4.7159 4.8058 4.8058 7.4011 7.4011 8.3875 8.3875 9.4905 9.4905 10.5342 10.5342 11.4507 11.4507 12.3187 12.3187 15.7348 15.7348 k = 0.0556 0.0343 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2501 2.2501 2.4170 2.4170 2.4985 2.4985 2.5268 2.5268 3.8531 3.8531 4.0897 4.0897 4.1873 4.1873 4.5444 4.5444 4.7142 4.7142 4.8030 4.8030 7.4015 7.4015 8.4079 8.4079 9.4795 9.4795 10.4769 10.4769 11.4800 11.4800 12.4033 12.4033 15.5355 15.5355 k = 0.0694 0.0428 0.9524 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.2538 2.2538 2.4178 2.4178 2.4964 2.4964 2.5248 2.5248 3.8555 3.8555 4.0905 4.0905 4.1836 4.1836 4.5464 4.5464 4.7119 4.7119 4.7995 4.7995 7.4019 7.4019 8.4339 8.4339 9.4664 9.4664 10.4076 10.4076 11.5217 11.5217 12.5028 12.5028 15.3345 15.3345 k = 0.0833 0.0514 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2581 2.2581 2.4188 2.4188 2.4938 2.4938 2.5224 2.5224 3.8584 3.8584 4.0914 4.0914 4.1794 4.1794 4.5488 4.5488 4.7091 4.7091 4.7957 4.7957 7.4024 7.4024 8.4655 8.4655 9.4517 9.4517 10.3289 10.3289 11.5756 11.5756 12.6136 12.6136 15.1343 15.1343 k = 0.0972 0.0600 0.9524 ( 3356 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2630 2.2630 2.4199 2.4199 2.4907 2.4907 2.5198 2.5198 3.8617 3.8617 4.0924 4.0924 4.1746 4.1746 4.5516 4.5516 4.7056 4.7056 4.7916 4.7916 7.4029 7.4029 8.5023 8.5023 9.4361 9.4361 10.2434 10.2434 11.6412 11.6412 12.7334 12.7334 14.9364 14.9364 k = 0.1111 0.0685 0.9524 ( 3348 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2818 -32.2818 -32.2658 -32.2658 2.2685 2.2685 2.4211 2.4211 2.4873 2.4873 2.5169 2.5169 3.8653 3.8653 4.0935 4.0935 4.1695 4.1695 4.5547 4.5547 4.7015 4.7015 4.7875 4.7875 7.4035 7.4035 8.5444 8.5444 9.4201 9.4201 10.1532 10.1532 11.7176 11.7176 12.8600 12.8600 14.7415 14.7415 k = 0.1250 0.0771 0.9524 ( 3366 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.2744 2.2744 2.4224 2.4224 2.4834 2.4834 2.5139 2.5139 3.8691 3.8691 4.0947 4.0947 4.1640 4.1640 4.5581 4.5581 4.6968 4.6968 4.7835 4.7835 7.4041 7.4041 8.5913 8.5913 9.4041 9.4041 10.0600 10.0600 11.8037 11.8037 12.9919 12.9919 14.5504 14.5504 k = 0.1389 0.0857 0.9524 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2658 -32.2658 2.2806 2.2806 2.4238 2.4238 2.4792 2.4792 2.5108 2.5108 3.8730 3.8730 4.0959 4.0959 4.1584 4.1584 4.5618 4.5618 4.6915 4.6915 4.7799 4.7799 7.4048 7.4048 8.6431 8.6431 9.3888 9.3888 9.9650 9.9650 11.8987 11.8987 13.1277 13.1277 14.3638 14.3638 k = 0.1528 0.0942 0.9524 ( 3354 PWs) bands (ev): -65.6215 -65.6215 -32.5626 -32.5626 -32.2819 -32.2819 -32.2658 -32.2658 2.2869 2.2869 2.4253 2.4253 2.4748 2.4748 2.5078 2.5078 3.8770 3.8770 4.0971 4.0971 4.1529 4.1529 4.5657 4.5657 4.6857 4.6857 4.7766 4.7766 7.4054 7.4054 8.6993 8.6993 9.3744 9.3744 9.8694 9.8694 12.0017 12.0017 13.2656 13.2656 14.1833 14.1833 k = 0.1667 0.1028 0.9524 ( 3362 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2658 -32.2658 2.2933 2.2933 2.4267 2.4267 2.4702 2.4702 2.5049 2.5049 3.8809 3.8809 4.0983 4.0983 4.1475 4.1475 4.5698 4.5698 4.6797 4.6797 4.7737 4.7737 7.4060 7.4060 8.7597 8.7597 9.3613 9.3613 9.7740 9.7740 12.1117 12.1117 13.4019 13.4019 14.0121 14.0121 k = 0.1806 0.1114 0.9524 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.2994 2.2994 2.4281 2.4281 2.4657 2.4657 2.5022 2.5022 3.8846 3.8846 4.0995 4.0995 4.1425 4.1425 4.5739 4.5739 4.6737 4.6737 4.7713 4.7713 7.4066 7.4066 8.8240 8.8240 9.3498 9.3498 9.6796 9.6796 12.2279 12.2279 13.5227 13.5227 13.8644 13.8644 k = 0.1944 0.1199 0.9524 ( 3364 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3050 2.3050 2.4293 2.4293 2.4615 2.4615 2.4998 2.4998 3.8878 3.8878 4.1005 4.1005 4.1379 4.1379 4.5778 4.5778 4.6679 4.6679 4.7694 4.7694 7.4071 7.4071 8.8916 8.8916 9.3400 9.3400 9.5871 9.5871 12.3489 12.3489 13.5513 13.5513 13.8166 13.8166 k = 0.2083 0.1285 0.9524 ( 3360 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2658 -32.2658 2.3099 2.3099 2.4304 2.4304 2.4577 2.4577 2.4977 2.4977 3.8905 3.8905 4.1014 4.1014 4.1341 4.1341 4.5814 4.5814 4.6628 4.6628 4.7679 4.7679 7.4076 7.4076 8.9619 8.9619 9.3322 9.3322 9.4973 9.4973 12.4728 12.4728 13.4427 13.4427 13.9148 13.9148 k = 0.2222 0.1371 0.9524 ( 3372 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3137 2.3137 2.4313 2.4313 2.4547 2.4547 2.4961 2.4961 3.8926 3.8926 4.1022 4.1022 4.1311 4.1311 4.5843 4.5843 4.6586 4.6586 4.7669 4.7669 7.4079 7.4079 9.0330 9.0330 9.3262 9.3262 9.4125 9.4125 12.5950 12.5950 13.3075 13.3075 14.0498 14.0498 k = 0.2361 0.1456 0.9524 ( 3372 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3162 2.3162 2.4320 2.4320 2.4527 2.4527 2.4950 2.4950 3.8939 3.8939 4.1027 4.1027 4.1292 4.1292 4.5863 4.5863 4.6560 4.6560 4.7663 4.7663 7.4082 7.4082 9.0992 9.0992 9.3192 9.3192 9.3414 9.3414 12.7023 12.7023 13.1892 13.1892 14.1816 14.1816 k = 0.2500 0.1542 0.9524 ( 3368 PWs) bands (ev): -65.6215 -65.6215 -32.5627 -32.5627 -32.2819 -32.2819 -32.2659 -32.2659 2.3171 2.3171 2.4324 2.4324 2.4520 2.4520 2.4945 2.4945 3.8943 3.8943 4.1030 4.1030 4.1283 4.1283 4.5868 4.5868 4.6552 4.6552 4.7662 4.7662 7.4084 7.4084 9.1349 9.1349 9.2953 9.2953 9.3255 9.3255 12.7532 12.7532 13.1343 13.1343 14.2536 14.2536 Writing output data file MgHg2.save init_run : 0.21s CPU 0.34s WALL ( 1 calls) electrons : 183.78s CPU 186.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 183.77s CPU 186.58s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 381 calls) cegterg : 173.11s CPU 175.36s WALL ( 618 calls) Called by sum_band: Called by *egterg: h_psi : 112.94s CPU 114.70s WALL ( 9663 calls) s_psi : 3.00s CPU 2.91s WALL ( 9663 calls) g_psi : 0.25s CPU 0.23s WALL ( 8664 calls) cdiaghg : 52.26s CPU 53.04s WALL ( 9045 calls) cegterg:over : 5.08s CPU 5.19s WALL ( 8664 calls) cegterg:upda : 3.94s CPU 4.11s WALL ( 8664 calls) cegterg:last : 2.38s CPU 2.43s WALL ( 1811 calls) cdiaghg:chol : 2.85s CPU 2.88s WALL ( 9045 calls) cdiaghg:inve : 1.63s CPU 1.71s WALL ( 9045 calls) cdiaghg:para : 2.94s CPU 3.08s WALL ( 18090 calls) Called by h_psi: h_psi:vloc : 105.87s CPU 107.44s WALL ( 9663 calls) h_psi:vnl : 6.94s CPU 7.08s WALL ( 9663 calls) add_vuspsi : 3.75s CPU 3.75s WALL ( 9663 calls) General routines calbec : 3.16s CPU 3.30s WALL ( 9663 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 98.75s CPU 100.17s WALL ( 946040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 762 calls) Parallel routines fft_scatter : 33.86s CPU 34.25s WALL ( 946063 calls) PWSCF : 3m17.53s CPU 3m38.02s WALL This run was terminated on: 19: 3:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=