Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:49: 0 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: ./KScO2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 63 31 9 1397 494 83 Max 64 32 10 1399 512 86 Sum 2277 1149 347 50335 18179 3023 bravais-lattice index = 14 lattice parameter (alat) = 12.0676 a.u. unit-cell volume = 369.3180 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.067591 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.873189 celldm(5)= 0.873189 celldm(6)= 0.873189 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.873189 0.487383 0.000000 ) a(3) = ( 0.873189 0.227194 0.431190 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.791587 -1.081080 ) b(2) = ( 0.000000 2.051776 -1.081080 ) b(3) = ( 0.000000 0.000000 2.319164 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0086207 -0.0154447 -0.0093197), wk = 0.0026882 k( 3) = ( 0.0172414 -0.0308894 -0.0186393), wk = 0.0026882 k( 4) = ( 0.0258621 -0.0463342 -0.0279590), wk = 0.0026882 k( 5) = ( 0.0344828 -0.0617789 -0.0372786), wk = 0.0026882 k( 6) = ( 0.0431035 -0.0772236 -0.0465983), wk = 0.0026882 k( 7) = ( 0.0517241 -0.0926683 -0.0559179), wk = 0.0026882 k( 8) = ( 0.0603448 -0.1081130 -0.0652376), wk = 0.0026882 k( 9) = ( 0.0689655 -0.1235578 -0.0745573), wk = 0.0026882 k( 10) = ( 0.0775862 -0.1390025 -0.0838769), wk = 0.0026882 k( 11) = ( 0.0862069 -0.1544472 -0.0931966), wk = 0.0026882 k( 12) = ( 0.0948276 -0.1698919 -0.1025162), wk = 0.0026882 k( 13) = ( 0.1034483 -0.1853366 -0.1118359), wk = 0.0026882 k( 14) = ( 0.1120690 -0.2007813 -0.1211555), wk = 0.0026882 k( 15) = ( 0.1206897 -0.2162261 -0.1304752), wk = 0.0026882 k( 16) = ( 0.1293103 -0.2316708 -0.1397948), wk = 0.0026882 k( 17) = ( 0.1379310 -0.2471155 -0.1491145), wk = 0.0026882 k( 18) = ( 0.1465517 -0.2625602 -0.1584342), wk = 0.0026882 k( 19) = ( 0.1551724 -0.2780049 -0.1677538), wk = 0.0026882 k( 20) = ( 0.1637931 -0.2934496 -0.1770735), wk = 0.0026882 k( 21) = ( 0.1724138 -0.3088944 -0.1863931), wk = 0.0026882 k( 22) = ( 0.1810345 -0.3243391 -0.1957128), wk = 0.0026882 k( 23) = ( 0.1896552 -0.3397838 -0.2050324), wk = 0.0026882 k( 24) = ( 0.1982759 -0.3552285 -0.2143521), wk = 0.0026882 k( 25) = ( 0.2068966 -0.3706732 -0.2236718), wk = 0.0026882 k( 26) = ( 0.2155172 -0.3861180 -0.2329914), wk = 0.0026882 k( 27) = ( 0.2241379 -0.4015627 -0.2423111), wk = 0.0026882 k( 28) = ( 0.2327586 -0.4170074 -0.2516307), wk = 0.0026882 k( 29) = ( 0.2413793 -0.4324521 -0.2609504), wk = 0.0026882 k( 30) = ( 0.2500000 -0.4478968 -0.2702700), wk = 0.0026882 k( 31) = ( 0.2586207 -0.4633416 -0.2795897), wk = 0.0026882 k( 32) = ( 0.2672414 -0.4787863 -0.2889094), wk = 0.0026882 k( 33) = ( 0.2758621 -0.4942310 -0.2982290), wk = 0.0026882 k( 34) = ( 0.2844828 -0.5096757 -0.3075487), wk = 0.0026882 k( 35) = ( 0.2931034 -0.5251204 -0.3168683), wk = 0.0026882 k( 36) = ( 0.3017241 -0.5405652 -0.3261880), wk = 0.0026882 k( 37) = ( 0.3103448 -0.5560099 -0.3355076), wk = 0.0026882 k( 38) = ( 0.3189655 -0.5714546 -0.3448273), wk = 0.0026882 k( 39) = ( 0.3275862 -0.5868993 -0.3541470), wk = 0.0026882 k( 40) = ( 0.3362069 -0.6023440 -0.3634666), wk = 0.0026882 k( 41) = ( 0.3448276 -0.6177888 -0.3727863), wk = 0.0026882 k( 42) = ( 0.3534483 -0.6332335 -0.3821059), wk = 0.0026882 k( 43) = ( 0.3620690 -0.6486782 -0.3914256), wk = 0.0026882 k( 44) = ( 0.3706897 -0.6641229 -0.4007452), wk = 0.0026882 k( 45) = ( 0.3793103 -0.6795676 -0.4100649), wk = 0.0026882 k( 46) = ( 0.3879310 -0.6950123 -0.4193846), wk = 0.0026882 k( 47) = ( 0.3965517 -0.7104570 -0.4287042), wk = 0.0026882 k( 48) = ( 0.4051724 -0.7259018 -0.4380239), wk = 0.0026882 k( 49) = ( 0.4137931 -0.7413465 -0.4473435), wk = 0.0026882 k( 50) = ( 0.4224138 -0.7567912 -0.4566632), wk = 0.0026882 k( 51) = ( 0.4310345 -0.7722359 -0.4659828), wk = 0.0026882 k( 52) = ( 0.4396552 -0.7876806 -0.4753025), wk = 0.0026882 k( 53) = ( 0.4482759 -0.8031254 -0.4846222), wk = 0.0026882 k( 54) = ( 0.4568966 -0.8185701 -0.4939418), wk = 0.0026882 k( 55) = ( 0.4655172 -0.8340148 -0.5032615), wk = 0.0026882 k( 56) = ( 0.4741379 -0.8494595 -0.5125811), wk = 0.0026882 k( 57) = ( 0.4827586 -0.8649042 -0.5219008), wk = 0.0026882 k( 58) = ( 0.4913793 -0.8803490 -0.5312204), wk = 0.0026882 k( 59) = ( 0.5000000 -0.8957937 -0.5405401), wk = 0.0026882 k( 60) = ( 0.5000000 -0.8957937 -0.5405401), wk = 0.0026882 k( 61) = ( 0.5000000 -0.8854175 -0.5577357), wk = 0.0026882 k( 62) = ( 0.5000000 -0.8750413 -0.5749313), wk = 0.0026882 k( 63) = ( 0.5000000 -0.8646652 -0.5921269), wk = 0.0026882 k( 64) = ( 0.5000000 -0.8542890 -0.6093225), wk = 0.0026882 k( 65) = ( 0.5000000 -0.8439128 -0.6265181), wk = 0.0026882 k( 66) = ( 0.5000000 -0.8335366 -0.6437137), wk = 0.0026882 k( 67) = ( 0.5000000 -0.8231605 -0.6609093), wk = 0.0026882 k( 68) = ( 0.5000000 -0.8127843 -0.6781049), wk = 0.0026882 k( 69) = ( 0.5000000 -0.8024081 -0.6953005), wk = 0.0026882 k( 70) = ( 0.5000000 -0.7920319 -0.7124961), wk = 0.0026882 k( 71) = ( 0.5000000 -0.7816558 -0.7296917), wk = 0.0026882 k( 72) = ( 0.5000000 -0.7712796 -0.7468873), wk = 0.0026882 k( 73) = ( 0.5000000 -0.7609034 -0.7640829), wk = 0.0026882 k( 74) = ( 0.5000000 -0.7505272 -0.7812785), wk = 0.0026882 k( 75) = ( 0.5000000 -0.7401511 -0.7984741), wk = 0.0026882 k( 76) = ( 0.5000000 -0.7297749 -0.8156697), wk = 0.0026882 k( 77) = ( 0.5000000 -0.7193987 -0.8328653), wk = 0.0026882 k( 78) = ( 0.5000000 -0.7090225 -0.8500610), wk = 0.0026882 k( 79) = ( 0.5000000 -0.6986463 -0.8672565), wk = 0.0026882 k( 80) = ( 0.5000000 -0.6882702 -0.8844521), wk = 0.0026882 k( 81) = ( 0.5000000 -0.6778940 -0.9016477), wk = 0.0026882 k( 82) = ( 0.5000000 -0.6675178 -0.9188434), wk = 0.0026882 k( 83) = ( 0.5000000 -0.6571416 -0.9360389), wk = 0.0026882 k( 84) = ( 0.5000000 -0.6467655 -0.9532345), wk = 0.0026882 k( 85) = ( 0.5000000 -0.6363893 -0.9704302), wk = 0.0026882 k( 86) = ( 0.5000000 -0.6260131 -0.9876258), wk = 0.0026882 k( 87) = ( 0.5000000 -0.6156369 -1.0048213), wk = 0.0026882 k( 88) = ( 0.5000000 -0.6052608 -1.0220170), wk = 0.0026882 k( 89) = ( 0.5000000 -0.5948846 -1.0392126), wk = 0.0026882 k( 90) = ( 0.5000000 -0.5845084 -1.0564082), wk = 0.0026882 k( 91) = ( 0.5000000 -0.5741322 -1.0736038), wk = 0.0026882 k( 92) = ( 0.5000000 -0.5637561 -1.0907994), wk = 0.0026882 k( 93) = ( 0.5000000 -0.5533799 -1.1079950), wk = 0.0026882 k( 94) = ( 0.5000000 -0.5430037 -1.1251906), wk = 0.0026882 k( 95) = ( 0.5000000 -0.5326275 -1.1423862), wk = 0.0026882 k( 96) = ( 0.5000000 -0.5222514 -1.1595818), wk = 0.0026882 k( 97) = ( 0.8179420 -0.4395264 -1.0025786), wk = 0.0026882 k( 98) = ( 0.8128953 -0.4304848 -0.9854186), wk = 0.0026882 k( 99) = ( 0.8078486 -0.4214432 -0.9682586), wk = 0.0026882 k( 100) = ( 0.8028019 -0.4124016 -0.9510986), wk = 0.0026882 k( 101) = ( 0.7977552 -0.4033600 -0.9339386), wk = 0.0026882 k( 102) = ( 0.7927085 -0.3943184 -0.9167786), wk = 0.0026882 k( 103) = ( 0.7876618 -0.3852768 -0.8996186), wk = 0.0026882 k( 104) = ( 0.7826151 -0.3762352 -0.8824586), wk = 0.0026882 k( 105) = ( 0.7775684 -0.3671936 -0.8652986), wk = 0.0026882 k( 106) = ( 0.7725217 -0.3581520 -0.8481386), wk = 0.0026882 k( 107) = ( 0.7674750 -0.3491104 -0.8309786), wk = 0.0026882 k( 108) = ( 0.7624283 -0.3400688 -0.8138186), wk = 0.0026882 k( 109) = ( 0.7573816 -0.3310272 -0.7966586), wk = 0.0026882 k( 110) = ( 0.7523349 -0.3219856 -0.7794986), wk = 0.0026882 k( 111) = ( 0.7472882 -0.3129440 -0.7623386), wk = 0.0026882 k( 112) = ( 0.7422415 -0.3039024 -0.7451786), wk = 0.0026882 k( 113) = ( 0.7371948 -0.2948608 -0.7280185), wk = 0.0026882 k( 114) = ( 0.7321481 -0.2858192 -0.7108585), wk = 0.0026882 k( 115) = ( 0.7271014 -0.2767776 -0.6936986), wk = 0.0026882 k( 116) = ( 0.7220547 -0.2677360 -0.6765385), wk = 0.0026882 k( 117) = ( 0.7170080 -0.2586944 -0.6593785), wk = 0.0026882 k( 118) = ( 0.7119613 -0.2496528 -0.6422185), wk = 0.0026882 k( 119) = ( 0.7069146 -0.2406112 -0.6250585), wk = 0.0026882 k( 120) = ( 0.7018679 -0.2315696 -0.6078985), wk = 0.0026882 k( 121) = ( 0.6968212 -0.2225280 -0.5907385), wk = 0.0026882 k( 122) = ( 0.6917745 -0.2134864 -0.5735785), wk = 0.0026882 k( 123) = ( 0.6867278 -0.2044448 -0.5564185), wk = 0.0026882 k( 124) = ( 0.6816811 -0.1954032 -0.5392585), wk = 0.0026882 k( 125) = ( 0.6766344 -0.1863616 -0.5220985), wk = 0.0026882 k( 126) = ( 0.6715877 -0.1773200 -0.5049385), wk = 0.0026882 k( 127) = ( 0.6665410 -0.1682784 -0.4877785), wk = 0.0026882 k( 128) = ( 0.6614943 -0.1592368 -0.4706185), wk = 0.0026882 k( 129) = ( 0.6564476 -0.1501952 -0.4534585), wk = 0.0026882 k( 130) = ( 0.6514009 -0.1411536 -0.4362985), wk = 0.0026882 k( 131) = ( 0.6463542 -0.1321120 -0.4191385), wk = 0.0026882 k( 132) = ( 0.6413075 -0.1230704 -0.4019785), wk = 0.0026882 k( 133) = ( 0.6362608 -0.1140288 -0.3848185), wk = 0.0026882 k( 134) = ( 0.6312142 -0.1049872 -0.3676585), wk = 0.0026882 k( 135) = ( 0.6261674 -0.0959456 -0.3504985), wk = 0.0026882 k( 136) = ( 0.6211207 -0.0869040 -0.3333385), wk = 0.0026882 k( 137) = ( 0.6160741 -0.0778624 -0.3161785), wk = 0.0026882 k( 138) = ( 0.6110273 -0.0688208 -0.2990185), wk = 0.0026882 k( 139) = ( 0.6059807 -0.0597792 -0.2818585), wk = 0.0026882 k( 140) = ( 0.6009340 -0.0507376 -0.2646985), wk = 0.0026882 k( 141) = ( 0.5958873 -0.0416960 -0.2475385), wk = 0.0026882 k( 142) = ( 0.5908406 -0.0326544 -0.2303785), wk = 0.0026882 k( 143) = ( 0.5857939 -0.0236128 -0.2132184), wk = 0.0026882 k( 144) = ( 0.5807472 -0.0145712 -0.1960585), wk = 0.0026882 k( 145) = ( 0.5757005 -0.0055296 -0.1788985), wk = 0.0026882 k( 146) = ( 0.5706538 0.0035120 -0.1617384), wk = 0.0026882 k( 147) = ( 0.5656071 0.0125536 -0.1445784), wk = 0.0026882 k( 148) = ( 0.5605604 0.0215952 -0.1274184), wk = 0.0026882 k( 149) = ( 0.5555137 0.0306368 -0.1102585), wk = 0.0026882 k( 150) = ( 0.5504670 0.0396784 -0.0930984), wk = 0.0026882 k( 151) = ( 0.5454203 0.0487200 -0.0759384), wk = 0.0026882 k( 152) = ( 0.5403736 0.0577616 -0.0587784), wk = 0.0026882 k( 153) = ( 0.5353269 0.0668032 -0.0416184), wk = 0.0026882 k( 154) = ( 0.5302802 0.0758448 -0.0244584), wk = 0.0026882 k( 155) = ( 0.5252335 0.0848864 -0.0072984), wk = 0.0026882 k( 156) = ( 0.5201868 0.0939280 0.0098616), wk = 0.0026882 k( 157) = ( 0.5151401 0.1029696 0.0270216), wk = 0.0026882 k( 158) = ( 0.5100934 0.1120112 0.0441816), wk = 0.0026882 k( 159) = ( 0.5050467 0.1210528 0.0613416), wk = 0.0026882 k( 160) = ( 0.5000000 0.1300944 0.0785016), wk = 0.0026882 k( 161) = ( 0.5000000 0.1300944 0.0785016), wk = 0.0026882 k( 162) = ( 0.4807692 0.1250908 0.0754823), wk = 0.0026882 k( 163) = ( 0.4615385 0.1200871 0.0724630), wk = 0.0026882 k( 164) = ( 0.4423077 0.1150835 0.0694437), wk = 0.0026882 k( 165) = ( 0.4230769 0.1100799 0.0664244), wk = 0.0026882 k( 166) = ( 0.4038462 0.1050762 0.0634051), wk = 0.0026882 k( 167) = ( 0.3846154 0.1000726 0.0603858), wk = 0.0026882 k( 168) = ( 0.3653846 0.0950690 0.0573665), wk = 0.0026882 k( 169) = ( 0.3461538 0.0900653 0.0543473), wk = 0.0026882 k( 170) = ( 0.3269231 0.0850617 0.0513280), wk = 0.0026882 k( 171) = ( 0.3076923 0.0800581 0.0483087), wk = 0.0026882 k( 172) = ( 0.2884615 0.0750545 0.0452894), wk = 0.0026882 k( 173) = ( 0.2692308 0.0700508 0.0422701), wk = 0.0026882 k( 174) = ( 0.2500000 0.0650472 0.0392508), wk = 0.0026882 k( 175) = ( 0.2307692 0.0600436 0.0362315), wk = 0.0026882 k( 176) = ( 0.2115385 0.0550399 0.0332122), wk = 0.0026882 k( 177) = ( 0.1923077 0.0500363 0.0301929), wk = 0.0026882 k( 178) = ( 0.1730769 0.0450327 0.0271736), wk = 0.0026882 k( 179) = ( 0.1538461 0.0400290 0.0241543), wk = 0.0026882 k( 180) = ( 0.1346154 0.0350254 0.0211350), wk = 0.0026882 k( 181) = ( 0.1153846 0.0300218 0.0181158), wk = 0.0026882 k( 182) = ( 0.0961538 0.0250182 0.0150965), wk = 0.0026882 k( 183) = ( 0.0769231 0.0200145 0.0120772), wk = 0.0026882 k( 184) = ( 0.0576923 0.0150109 0.0090579), wk = 0.0026882 k( 185) = ( 0.0384615 0.0100073 0.0060386), wk = 0.0026882 k( 186) = ( 0.0192308 0.0050036 0.0030193), wk = 0.0026882 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 189) = ( 0.0050900 -0.0091192 -0.0173072), wk = 0.0026882 k( 190) = ( 0.0101800 -0.0182383 -0.0346144), wk = 0.0026882 k( 191) = ( 0.0152700 -0.0273575 -0.0519216), wk = 0.0026882 k( 192) = ( 0.0203599 -0.0364766 -0.0692288), wk = 0.0026882 k( 193) = ( 0.0254499 -0.0455958 -0.0865360), wk = 0.0026882 k( 194) = ( 0.0305399 -0.0547149 -0.1038431), wk = 0.0026882 k( 195) = ( 0.0356299 -0.0638341 -0.1211503), wk = 0.0026882 k( 196) = ( 0.0407199 -0.0729532 -0.1384575), wk = 0.0026882 k( 197) = ( 0.0458099 -0.0820724 -0.1557647), wk = 0.0026882 k( 198) = ( 0.0508999 -0.0911915 -0.1730719), wk = 0.0026882 k( 199) = ( 0.0559898 -0.1003107 -0.1903791), wk = 0.0026882 k( 200) = ( 0.0610798 -0.1094298 -0.2076863), wk = 0.0026882 k( 201) = ( 0.0661698 -0.1185490 -0.2249935), wk = 0.0026882 k( 202) = ( 0.0712598 -0.1276681 -0.2423007), wk = 0.0026882 k( 203) = ( 0.0763498 -0.1367873 -0.2596079), wk = 0.0026882 k( 204) = ( 0.0814398 -0.1459065 -0.2769151), wk = 0.0026882 k( 205) = ( 0.0865298 -0.1550256 -0.2942222), wk = 0.0026882 k( 206) = ( 0.0916197 -0.1641448 -0.3115294), wk = 0.0026882 k( 207) = ( 0.0967097 -0.1732639 -0.3288366), wk = 0.0026882 k( 208) = ( 0.1017997 -0.1823831 -0.3461438), wk = 0.0026882 k( 209) = ( 0.1068897 -0.1915022 -0.3634510), wk = 0.0026882 k( 210) = ( 0.1119797 -0.2006214 -0.3807582), wk = 0.0026882 k( 211) = ( 0.1170697 -0.2097405 -0.3980654), wk = 0.0026882 k( 212) = ( 0.1221596 -0.2188597 -0.4153726), wk = 0.0026882 k( 213) = ( 0.1272496 -0.2279788 -0.4326798), wk = 0.0026882 k( 214) = ( 0.1323396 -0.2370980 -0.4499870), wk = 0.0026882 k( 215) = ( 0.1374296 -0.2462171 -0.4672941), wk = 0.0026882 k( 216) = ( 0.1425196 -0.2553363 -0.4846013), wk = 0.0026882 k( 217) = ( 0.1476096 -0.2644554 -0.5019085), wk = 0.0026882 k( 218) = ( 0.1526996 -0.2735746 -0.5192157), wk = 0.0026882 k( 219) = ( 0.1577895 -0.2826937 -0.5365229), wk = 0.0026882 k( 220) = ( 0.1628795 -0.2918129 -0.5538301), wk = 0.0026882 k( 221) = ( 0.1679695 -0.3009321 -0.5711373), wk = 0.0026882 k( 222) = ( 0.1730595 -0.3100512 -0.5884445), wk = 0.0026882 k( 223) = ( 0.1781495 -0.3191704 -0.6057517), wk = 0.0026882 k( 224) = ( 0.1832395 -0.3282895 -0.6230589), wk = 0.0026882 k( 225) = ( 0.1883295 -0.3374087 -0.6403661), wk = 0.0026882 k( 226) = ( 0.1934194 -0.3465278 -0.6576732), wk = 0.0026882 k( 227) = ( 0.1985094 -0.3556470 -0.6749804), wk = 0.0026882 k( 228) = ( 0.2035994 -0.3647661 -0.6922876), wk = 0.0026882 k( 229) = ( 0.2086894 -0.3738853 -0.7095948), wk = 0.0026882 k( 230) = ( 0.2137794 -0.3830044 -0.7269020), wk = 0.0026882 k( 231) = ( 0.2188694 -0.3921236 -0.7442092), wk = 0.0026882 k( 232) = ( 0.2239594 -0.4012427 -0.7615164), wk = 0.0026882 k( 233) = ( 0.2290493 -0.4103619 -0.7788236), wk = 0.0026882 k( 234) = ( 0.2341393 -0.4194810 -0.7961308), wk = 0.0026882 k( 235) = ( 0.2392293 -0.4286002 -0.8134380), wk = 0.0026882 k( 236) = ( 0.2443193 -0.4377194 -0.8307452), wk = 0.0026882 k( 237) = ( 0.2494093 -0.4468385 -0.8480523), wk = 0.0026882 k( 238) = ( 0.2544993 -0.4559577 -0.8653596), wk = 0.0026882 k( 239) = ( 0.2595892 -0.4650768 -0.8826667), wk = 0.0026882 k( 240) = ( 0.2646792 -0.4741960 -0.8999739), wk = 0.0026882 k( 241) = ( 0.2697692 -0.4833151 -0.9172811), wk = 0.0026882 k( 242) = ( 0.2748592 -0.4924343 -0.9345883), wk = 0.0026882 k( 243) = ( 0.2799492 -0.5015534 -0.9518955), wk = 0.0026882 k( 244) = ( 0.2850392 -0.5106726 -0.9692027), wk = 0.0026882 k( 245) = ( 0.2901292 -0.5197917 -0.9865099), wk = 0.0026882 k( 246) = ( 0.2952191 -0.5289109 -1.0038171), wk = 0.0026882 k( 247) = ( 0.3003091 -0.5380300 -1.0211242), wk = 0.0026882 k( 248) = ( 0.3053991 -0.5471492 -1.0384315), wk = 0.0026882 k( 249) = ( 0.3104891 -0.5562683 -1.0557386), wk = 0.0026882 k( 250) = ( 0.3155791 -0.5653875 -1.0730458), wk = 0.0026882 k( 251) = ( 0.3206691 -0.5745067 -1.0903530), wk = 0.0026882 k( 252) = ( 0.3257591 -0.5836258 -1.1076602), wk = 0.0026882 k( 253) = ( 0.3308490 -0.5927450 -1.1249674), wk = 0.0026882 k( 254) = ( 0.3359390 -0.6018641 -1.1422746), wk = 0.0026882 k( 255) = ( 0.3410290 -0.6109833 -1.1595818), wk = 0.0026882 k( 256) = ( 0.6589710 -0.4808889 -1.0810802), wk = 0.0026882 k( 257) = ( 0.6540031 -0.4617957 -1.0810802), wk = 0.0026882 k( 258) = ( 0.6490353 -0.4427024 -1.0810802), wk = 0.0026882 k( 259) = ( 0.6440674 -0.4236092 -1.0810802), wk = 0.0026882 k( 260) = ( 0.6390996 -0.4045160 -1.0810802), wk = 0.0026882 k( 261) = ( 0.6341318 -0.3854228 -1.0810802), wk = 0.0026882 k( 262) = ( 0.6291639 -0.3663295 -1.0810802), wk = 0.0026882 k( 263) = ( 0.6241961 -0.3472363 -1.0810802), wk = 0.0026882 k( 264) = ( 0.6192282 -0.3281431 -1.0810802), wk = 0.0026882 k( 265) = ( 0.6142604 -0.3090498 -1.0810802), wk = 0.0026882 k( 266) = ( 0.6092926 -0.2899566 -1.0810802), wk = 0.0026882 k( 267) = ( 0.6043247 -0.2708634 -1.0810802), wk = 0.0026882 k( 268) = ( 0.5993569 -0.2517701 -1.0810802), wk = 0.0026882 k( 269) = ( 0.5943890 -0.2326769 -1.0810802), wk = 0.0026882 k( 270) = ( 0.5894212 -0.2135837 -1.0810802), wk = 0.0026882 k( 271) = ( 0.5844533 -0.1944905 -1.0810802), wk = 0.0026882 k( 272) = ( 0.5794855 -0.1753972 -1.0810802), wk = 0.0026882 k( 273) = ( 0.5745176 -0.1563040 -1.0810802), wk = 0.0026882 k( 274) = ( 0.5695498 -0.1372108 -1.0810802), wk = 0.0026882 k( 275) = ( 0.5645820 -0.1181176 -1.0810802), wk = 0.0026882 k( 276) = ( 0.5596141 -0.0990243 -1.0810802), wk = 0.0026882 k( 277) = ( 0.5546463 -0.0799311 -1.0810802), wk = 0.0026882 k( 278) = ( 0.5496784 -0.0608379 -1.0810802), wk = 0.0026882 k( 279) = ( 0.5447106 -0.0417447 -1.0810802), wk = 0.0026882 k( 280) = ( 0.5397428 -0.0226515 -1.0810802), wk = 0.0026882 k( 281) = ( 0.5347749 -0.0035582 -1.0810802), wk = 0.0026882 k( 282) = ( 0.5298071 0.0155350 -1.0810802), wk = 0.0026882 k( 283) = ( 0.5248392 0.0346282 -1.0810802), wk = 0.0026882 k( 284) = ( 0.5198714 0.0537215 -1.0810802), wk = 0.0026882 k( 285) = ( 0.5149035 0.0728147 -1.0810802), wk = 0.0026882 k( 286) = ( 0.5099357 0.0919079 -1.0810802), wk = 0.0026882 k( 287) = ( 0.5049678 0.1110012 -1.0810802), wk = 0.0026882 k( 288) = ( 0.5000000 0.1300944 -1.0810802), wk = 0.0026882 k( 289) = ( 0.5000000 0.1300944 -1.0810802), wk = 0.0026882 k( 290) = ( 0.5176634 0.1346902 -1.0723578), wk = 0.0026882 k( 291) = ( 0.5353269 0.1392860 -1.0636354), wk = 0.0026882 k( 292) = ( 0.5529903 0.1438819 -1.0549130), wk = 0.0026882 k( 293) = ( 0.5706538 0.1484777 -1.0461906), wk = 0.0026882 k( 294) = ( 0.5883172 0.1530735 -1.0374682), wk = 0.0026882 k( 295) = ( 0.6059807 0.1576694 -1.0287458), wk = 0.0026882 k( 296) = ( 0.6236441 0.1622652 -1.0200234), wk = 0.0026882 k( 297) = ( 0.6413075 0.1668610 -1.0113010), wk = 0.0026882 k( 298) = ( 0.6589710 0.1714568 -1.0025786), wk = 0.0026882 k( 299) = ( 0.6589710 0.1714568 -1.0025786), wk = 0.0026882 k( 300) = ( 0.6560271 0.1706909 -0.9825586), wk = 0.0026882 k( 301) = ( 0.6530832 0.1699249 -0.9625386), wk = 0.0026882 k( 302) = ( 0.6501393 0.1691589 -0.9425186), wk = 0.0026882 k( 303) = ( 0.6471954 0.1683930 -0.9224986), wk = 0.0026882 k( 304) = ( 0.6442514 0.1676270 -0.9024786), wk = 0.0026882 k( 305) = ( 0.6413075 0.1668610 -0.8824586), wk = 0.0026882 k( 306) = ( 0.6383636 0.1660950 -0.8624386), wk = 0.0026882 k( 307) = ( 0.6354197 0.1653291 -0.8424186), wk = 0.0026882 k( 308) = ( 0.6324758 0.1645631 -0.8223986), wk = 0.0026882 k( 309) = ( 0.6295319 0.1637971 -0.8023786), wk = 0.0026882 k( 310) = ( 0.6265880 0.1630312 -0.7823586), wk = 0.0026882 k( 311) = ( 0.6236441 0.1622652 -0.7623386), wk = 0.0026882 k( 312) = ( 0.6207002 0.1614992 -0.7423185), wk = 0.0026882 k( 313) = ( 0.6177563 0.1607332 -0.7222985), wk = 0.0026882 k( 314) = ( 0.6148124 0.1599673 -0.7022785), wk = 0.0026882 k( 315) = ( 0.6118685 0.1592013 -0.6822585), wk = 0.0026882 k( 316) = ( 0.6089246 0.1584353 -0.6622385), wk = 0.0026882 k( 317) = ( 0.6059807 0.1576694 -0.6422185), wk = 0.0026882 k( 318) = ( 0.6030368 0.1569034 -0.6221985), wk = 0.0026882 k( 319) = ( 0.6000928 0.1561374 -0.6021785), wk = 0.0026882 k( 320) = ( 0.5971489 0.1553714 -0.5821585), wk = 0.0026882 k( 321) = ( 0.5942050 0.1546055 -0.5621385), wk = 0.0026882 k( 322) = ( 0.5912611 0.1538395 -0.5421185), wk = 0.0026882 k( 323) = ( 0.5883172 0.1530735 -0.5220985), wk = 0.0026882 k( 324) = ( 0.5853733 0.1523076 -0.5020785), wk = 0.0026882 k( 325) = ( 0.5824294 0.1515416 -0.4820585), wk = 0.0026882 k( 326) = ( 0.5794855 0.1507756 -0.4620385), wk = 0.0026882 k( 327) = ( 0.5765416 0.1500096 -0.4420185), wk = 0.0026882 k( 328) = ( 0.5735977 0.1492437 -0.4219985), wk = 0.0026882 k( 329) = ( 0.5706538 0.1484777 -0.4019785), wk = 0.0026882 k( 330) = ( 0.5677099 0.1477117 -0.3819585), wk = 0.0026882 k( 331) = ( 0.5647660 0.1469458 -0.3619385), wk = 0.0026882 k( 332) = ( 0.5618220 0.1461798 -0.3419185), wk = 0.0026882 k( 333) = ( 0.5588781 0.1454138 -0.3218985), wk = 0.0026882 k( 334) = ( 0.5559342 0.1446478 -0.3018785), wk = 0.0026882 k( 335) = ( 0.5529903 0.1438819 -0.2818585), wk = 0.0026882 k( 336) = ( 0.5500464 0.1431159 -0.2618385), wk = 0.0026882 k( 337) = ( 0.5471025 0.1423499 -0.2418185), wk = 0.0026882 k( 338) = ( 0.5441586 0.1415840 -0.2217985), wk = 0.0026882 k( 339) = ( 0.5412147 0.1408180 -0.2017785), wk = 0.0026882 k( 340) = ( 0.5382708 0.1400520 -0.1817584), wk = 0.0026882 k( 341) = ( 0.5353269 0.1392860 -0.1617385), wk = 0.0026882 k( 342) = ( 0.5323830 0.1385201 -0.1417185), wk = 0.0026882 k( 343) = ( 0.5294391 0.1377541 -0.1216984), wk = 0.0026882 k( 344) = ( 0.5264952 0.1369881 -0.1016784), wk = 0.0026882 k( 345) = ( 0.5235513 0.1362222 -0.0816584), wk = 0.0026882 k( 346) = ( 0.5206074 0.1354562 -0.0616384), wk = 0.0026882 k( 347) = ( 0.5176634 0.1346902 -0.0416184), wk = 0.0026882 k( 348) = ( 0.5147195 0.1339242 -0.0215984), wk = 0.0026882 k( 349) = ( 0.5117756 0.1331583 -0.0015784), wk = 0.0026882 k( 350) = ( 0.5088317 0.1323923 0.0184416), wk = 0.0026882 k( 351) = ( 0.5058878 0.1316263 0.0384616), wk = 0.0026882 k( 352) = ( 0.5029439 0.1308604 0.0584816), wk = 0.0026882 k( 353) = ( 0.5000000 0.1300944 0.0785016), wk = 0.0026882 k( 354) = ( 0.5000000 -0.8957937 -0.5405401), wk = 0.0026882 k( 355) = ( 0.5176634 -0.8885662 -0.5361789), wk = 0.0026882 k( 356) = ( 0.5353269 -0.8813388 -0.5318177), wk = 0.0026882 k( 357) = ( 0.5529903 -0.8741113 -0.5274565), wk = 0.0026882 k( 358) = ( 0.5706538 -0.8668838 -0.5230953), wk = 0.0026882 k( 359) = ( 0.5883172 -0.8596563 -0.5187341), wk = 0.0026882 k( 360) = ( 0.6059807 -0.8524289 -0.5143729), wk = 0.0026882 k( 361) = ( 0.6236441 -0.8452014 -0.5100117), wk = 0.0026882 k( 362) = ( 0.6413075 -0.8379740 -0.5056505), wk = 0.0026882 k( 363) = ( 0.6589710 -0.8307465 -0.5012893), wk = 0.0026882 k( 364) = ( 0.6766344 -0.8235190 -0.4969281), wk = 0.0026882 k( 365) = ( 0.6942979 -0.8162916 -0.4925669), wk = 0.0026882 k( 366) = ( 0.7119613 -0.8090641 -0.4882057), wk = 0.0026882 k( 367) = ( 0.7296248 -0.8018366 -0.4838445), wk = 0.0026882 k( 368) = ( 0.7472882 -0.7946092 -0.4794833), wk = 0.0026882 k( 369) = ( 0.7649516 -0.7873817 -0.4751221), wk = 0.0026882 k( 370) = ( 0.7826151 -0.7801542 -0.4707609), wk = 0.0026882 k( 371) = ( 0.8002785 -0.7729268 -0.4663997), wk = 0.0026882 k( 372) = ( 0.8179420 -0.7656993 -0.4620385), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0086207 0.0000000 0.0000000), wk = 0.0026882 k( 3) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0026882 k( 4) = ( 0.0258621 0.0000000 0.0000000), wk = 0.0026882 k( 5) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0026882 k( 6) = ( 0.0431035 0.0000000 0.0000000), wk = 0.0026882 k( 7) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0026882 k( 8) = ( 0.0603448 0.0000000 0.0000000), wk = 0.0026882 k( 9) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0026882 k( 10) = ( 0.0775862 0.0000000 0.0000000), wk = 0.0026882 k( 11) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0026882 k( 12) = ( 0.0948276 0.0000000 0.0000000), wk = 0.0026882 k( 13) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0026882 k( 14) = ( 0.1120690 0.0000000 0.0000000), wk = 0.0026882 k( 15) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0026882 k( 16) = ( 0.1293103 0.0000000 0.0000000), wk = 0.0026882 k( 17) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0026882 k( 18) = ( 0.1465517 0.0000000 0.0000000), wk = 0.0026882 k( 19) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0026882 k( 20) = ( 0.1637931 0.0000000 0.0000000), wk = 0.0026882 k( 21) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0026882 k( 22) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0026882 k( 23) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0026882 k( 24) = ( 0.1982759 0.0000000 0.0000000), wk = 0.0026882 k( 25) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0026882 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0026882 k( 27) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0026882 k( 28) = ( 0.2327586 0.0000000 0.0000000), wk = 0.0026882 k( 29) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0026882 k( 30) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026882 k( 31) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0026882 k( 32) = ( 0.2672414 0.0000000 0.0000000), wk = 0.0026882 k( 33) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0026882 k( 34) = ( 0.2844828 0.0000000 0.0000000), wk = 0.0026882 k( 35) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0026882 k( 36) = ( 0.3017241 0.0000000 0.0000000), wk = 0.0026882 k( 37) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0026882 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0026882 k( 39) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0026882 k( 40) = ( 0.3362069 0.0000000 0.0000000), wk = 0.0026882 k( 41) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0026882 k( 42) = ( 0.3534483 0.0000000 0.0000000), wk = 0.0026882 k( 43) = ( 0.3620690 0.0000000 0.0000000), wk = 0.0026882 k( 44) = ( 0.3706897 -0.0000000 0.0000000), wk = 0.0026882 k( 45) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0026882 k( 46) = ( 0.3879310 0.0000000 0.0000000), wk = 0.0026882 k( 47) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0026882 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0026882 k( 49) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0026882 k( 50) = ( 0.4224138 0.0000000 0.0000000), wk = 0.0026882 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0026882 k( 52) = ( 0.4396552 0.0000000 0.0000000), wk = 0.0026882 k( 53) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0026882 k( 54) = ( 0.4568966 0.0000000 0.0000000), wk = 0.0026882 k( 55) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0026882 k( 56) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0026882 k( 57) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0026882 k( 58) = ( 0.4913793 0.0000000 0.0000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 61) = ( 0.5000000 0.0050572 -0.0050572), wk = 0.0026882 k( 62) = ( 0.5000000 0.0101143 -0.0101143), wk = 0.0026882 k( 63) = ( 0.5000000 0.0151715 -0.0151715), wk = 0.0026882 k( 64) = ( 0.5000000 0.0202287 -0.0202287), wk = 0.0026882 k( 65) = ( 0.5000000 0.0252858 -0.0252858), wk = 0.0026882 k( 66) = ( 0.5000000 0.0303430 -0.0303430), wk = 0.0026882 k( 67) = ( 0.5000000 0.0354002 -0.0354002), wk = 0.0026882 k( 68) = ( 0.5000000 0.0404573 -0.0404573), wk = 0.0026882 k( 69) = ( 0.5000000 0.0455145 -0.0455145), wk = 0.0026882 k( 70) = ( 0.5000000 0.0505717 -0.0505717), wk = 0.0026882 k( 71) = ( 0.5000000 0.0556288 -0.0556288), wk = 0.0026882 k( 72) = ( 0.5000000 0.0606860 -0.0606860), wk = 0.0026882 k( 73) = ( 0.5000000 0.0657432 -0.0657432), wk = 0.0026882 k( 74) = ( 0.5000000 0.0708004 -0.0708003), wk = 0.0026882 k( 75) = ( 0.5000000 0.0758575 -0.0758575), wk = 0.0026882 k( 76) = ( 0.5000000 0.0809147 -0.0809147), wk = 0.0026882 k( 77) = ( 0.5000000 0.0859719 -0.0859718), wk = 0.0026882 k( 78) = ( 0.5000000 0.0910290 -0.0910290), wk = 0.0026882 k( 79) = ( 0.5000000 0.0960862 -0.0960862), wk = 0.0026882 k( 80) = ( 0.5000000 0.1011434 -0.1011433), wk = 0.0026882 k( 81) = ( 0.5000000 0.1062005 -0.1062005), wk = 0.0026882 k( 82) = ( 0.5000000 0.1112577 -0.1112577), wk = 0.0026882 k( 83) = ( 0.5000000 0.1163149 -0.1163148), wk = 0.0026882 k( 84) = ( 0.5000000 0.1213720 -0.1213720), wk = 0.0026882 k( 85) = ( 0.5000000 0.1264292 -0.1264292), wk = 0.0026882 k( 86) = ( 0.5000000 0.1314864 -0.1314864), wk = 0.0026882 k( 87) = ( 0.5000000 0.1365435 -0.1365435), wk = 0.0026882 k( 88) = ( 0.5000000 0.1416007 -0.1416007), wk = 0.0026882 k( 89) = ( 0.5000000 0.1466579 -0.1466579), wk = 0.0026882 k( 90) = ( 0.5000000 0.1517150 -0.1517150), wk = 0.0026882 k( 91) = ( 0.5000000 0.1567722 -0.1567722), wk = 0.0026882 k( 92) = ( 0.5000000 0.1618294 -0.1618294), wk = 0.0026882 k( 93) = ( 0.5000000 0.1668865 -0.1668865), wk = 0.0026882 k( 94) = ( 0.5000000 0.1719437 -0.1719437), wk = 0.0026882 k( 95) = ( 0.5000000 0.1770009 -0.1770009), wk = 0.0026882 k( 96) = ( 0.5000000 0.1820580 -0.1820580), wk = 0.0026882 k( 97) = ( 0.8179420 0.5000000 0.1820580), wk = 0.0026882 k( 98) = ( 0.8128953 0.5000000 0.1871047), wk = 0.0026882 k( 99) = ( 0.8078486 0.5000000 0.1921514), wk = 0.0026882 k( 100) = ( 0.8028019 0.5000000 0.1971981), wk = 0.0026882 k( 101) = ( 0.7977552 0.5000000 0.2022448), wk = 0.0026882 k( 102) = ( 0.7927085 0.5000000 0.2072915), wk = 0.0026882 k( 103) = ( 0.7876618 0.5000000 0.2123382), wk = 0.0026882 k( 104) = ( 0.7826151 0.5000000 0.2173849), wk = 0.0026882 k( 105) = ( 0.7775684 0.5000000 0.2224316), wk = 0.0026882 k( 106) = ( 0.7725217 0.5000000 0.2274783), wk = 0.0026882 k( 107) = ( 0.7674750 0.5000000 0.2325250), wk = 0.0026882 k( 108) = ( 0.7624283 0.5000000 0.2375717), wk = 0.0026882 k( 109) = ( 0.7573816 0.5000000 0.2426184), wk = 0.0026882 k( 110) = ( 0.7523349 0.5000000 0.2476651), wk = 0.0026882 k( 111) = ( 0.7472882 0.5000000 0.2527118), wk = 0.0026882 k( 112) = ( 0.7422415 0.5000000 0.2577585), wk = 0.0026882 k( 113) = ( 0.7371948 0.5000000 0.2628052), wk = 0.0026882 k( 114) = ( 0.7321481 0.5000000 0.2678519), wk = 0.0026882 k( 115) = ( 0.7271014 0.5000000 0.2728986), wk = 0.0026882 k( 116) = ( 0.7220547 0.5000000 0.2779453), wk = 0.0026882 k( 117) = ( 0.7170080 0.5000000 0.2829920), wk = 0.0026882 k( 118) = ( 0.7119613 0.5000000 0.2880387), wk = 0.0026882 k( 119) = ( 0.7069146 0.5000000 0.2930854), wk = 0.0026882 k( 120) = ( 0.7018679 0.5000000 0.2981321), wk = 0.0026882 k( 121) = ( 0.6968212 0.5000000 0.3031788), wk = 0.0026882 k( 122) = ( 0.6917745 0.5000000 0.3082255), wk = 0.0026882 k( 123) = ( 0.6867278 0.5000000 0.3132722), wk = 0.0026882 k( 124) = ( 0.6816811 0.5000000 0.3183189), wk = 0.0026882 k( 125) = ( 0.6766344 0.5000000 0.3233656), wk = 0.0026882 k( 126) = ( 0.6715877 0.5000000 0.3284123), wk = 0.0026882 k( 127) = ( 0.6665410 0.5000000 0.3334590), wk = 0.0026882 k( 128) = ( 0.6614943 0.5000000 0.3385057), wk = 0.0026882 k( 129) = ( 0.6564476 0.5000000 0.3435524), wk = 0.0026882 k( 130) = ( 0.6514009 0.5000000 0.3485991), wk = 0.0026882 k( 131) = ( 0.6463542 0.5000000 0.3536458), wk = 0.0026882 k( 132) = ( 0.6413075 0.5000000 0.3586925), wk = 0.0026882 k( 133) = ( 0.6362608 0.5000000 0.3637392), wk = 0.0026882 k( 134) = ( 0.6312142 0.5000000 0.3687859), wk = 0.0026882 k( 135) = ( 0.6261674 0.5000000 0.3738325), wk = 0.0026882 k( 136) = ( 0.6211207 0.5000000 0.3788793), wk = 0.0026882 k( 137) = ( 0.6160741 0.5000000 0.3839260), wk = 0.0026882 k( 138) = ( 0.6110273 0.5000000 0.3889726), wk = 0.0026882 k( 139) = ( 0.6059807 0.5000000 0.3940193), wk = 0.0026882 k( 140) = ( 0.6009340 0.5000000 0.3990660), wk = 0.0026882 k( 141) = ( 0.5958873 0.5000000 0.4041127), wk = 0.0026882 k( 142) = ( 0.5908406 0.5000000 0.4091594), wk = 0.0026882 k( 143) = ( 0.5857939 0.5000000 0.4142061), wk = 0.0026882 k( 144) = ( 0.5807472 0.5000000 0.4192528), wk = 0.0026882 k( 145) = ( 0.5757005 0.5000000 0.4242995), wk = 0.0026882 k( 146) = ( 0.5706538 0.5000000 0.4293462), wk = 0.0026882 k( 147) = ( 0.5656071 0.5000000 0.4343929), wk = 0.0026882 k( 148) = ( 0.5605604 0.5000000 0.4394396), wk = 0.0026882 k( 149) = ( 0.5555137 0.5000000 0.4444863), wk = 0.0026882 k( 150) = ( 0.5504670 0.5000000 0.4495330), wk = 0.0026882 k( 151) = ( 0.5454203 0.5000000 0.4545797), wk = 0.0026882 k( 152) = ( 0.5403736 0.5000000 0.4596264), wk = 0.0026882 k( 153) = ( 0.5353269 0.5000000 0.4646731), wk = 0.0026882 k( 154) = ( 0.5302802 0.5000000 0.4697198), wk = 0.0026882 k( 155) = ( 0.5252335 0.5000000 0.4747665), wk = 0.0026882 k( 156) = ( 0.5201868 0.5000000 0.4798132), wk = 0.0026882 k( 157) = ( 0.5151401 0.5000000 0.4848599), wk = 0.0026882 k( 158) = ( 0.5100934 0.5000000 0.4899066), wk = 0.0026882 k( 159) = ( 0.5050467 0.5000000 0.4949533), wk = 0.0026882 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 162) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0026882 k( 163) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0026882 k( 164) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0026882 k( 165) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0026882 k( 166) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0026882 k( 167) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0026882 k( 168) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0026882 k( 169) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0026882 k( 170) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0026882 k( 171) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0026882 k( 172) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0026882 k( 173) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0026882 k( 174) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026882 k( 175) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0026882 k( 176) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0026882 k( 177) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0026882 k( 178) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0026882 k( 179) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0026882 k( 180) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0026882 k( 181) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0026882 k( 182) = ( 0.0961538 0.0961539 0.0961538), wk = 0.0026882 k( 183) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0026882 k( 184) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0026882 k( 185) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0026882 k( 186) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0026882 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 189) = ( 0.0050900 -0.0000000 -0.0050900), wk = 0.0026882 k( 190) = ( 0.0101800 0.0000000 -0.0101800), wk = 0.0026882 k( 191) = ( 0.0152700 0.0000000 -0.0152700), wk = 0.0026882 k( 192) = ( 0.0203599 0.0000000 -0.0203599), wk = 0.0026882 k( 193) = ( 0.0254499 0.0000000 -0.0254499), wk = 0.0026882 k( 194) = ( 0.0305399 0.0000000 -0.0305399), wk = 0.0026882 k( 195) = ( 0.0356299 0.0000000 -0.0356299), wk = 0.0026882 k( 196) = ( 0.0407199 0.0000000 -0.0407199), wk = 0.0026882 k( 197) = ( 0.0458099 0.0000000 -0.0458099), wk = 0.0026882 k( 198) = ( 0.0508999 0.0000000 -0.0508998), wk = 0.0026882 k( 199) = ( 0.0559898 0.0000000 -0.0559898), wk = 0.0026882 k( 200) = ( 0.0610798 0.0000000 -0.0610798), wk = 0.0026882 k( 201) = ( 0.0661698 0.0000000 -0.0661698), wk = 0.0026882 k( 202) = ( 0.0712598 0.0000000 -0.0712598), wk = 0.0026882 k( 203) = ( 0.0763498 0.0000000 -0.0763498), wk = 0.0026882 k( 204) = ( 0.0814398 0.0000000 -0.0814398), wk = 0.0026882 k( 205) = ( 0.0865298 0.0000000 -0.0865297), wk = 0.0026882 k( 206) = ( 0.0916197 0.0000000 -0.0916197), wk = 0.0026882 k( 207) = ( 0.0967097 0.0000000 -0.0967097), wk = 0.0026882 k( 208) = ( 0.1017997 0.0000000 -0.1017997), wk = 0.0026882 k( 209) = ( 0.1068897 0.0000000 -0.1068897), wk = 0.0026882 k( 210) = ( 0.1119797 0.0000000 -0.1119797), wk = 0.0026882 k( 211) = ( 0.1170697 0.0000000 -0.1170697), wk = 0.0026882 k( 212) = ( 0.1221596 0.0000000 -0.1221596), wk = 0.0026882 k( 213) = ( 0.1272496 0.0000000 -0.1272496), wk = 0.0026882 k( 214) = ( 0.1323396 0.0000000 -0.1323396), wk = 0.0026882 k( 215) = ( 0.1374296 0.0000000 -0.1374296), wk = 0.0026882 k( 216) = ( 0.1425196 0.0000000 -0.1425196), wk = 0.0026882 k( 217) = ( 0.1476096 0.0000000 -0.1476096), wk = 0.0026882 k( 218) = ( 0.1526996 0.0000000 -0.1526996), wk = 0.0026882 k( 219) = ( 0.1577895 -0.0000000 -0.1577895), wk = 0.0026882 k( 220) = ( 0.1628795 -0.0000000 -0.1628795), wk = 0.0026882 k( 221) = ( 0.1679695 0.0000000 -0.1679695), wk = 0.0026882 k( 222) = ( 0.1730595 0.0000000 -0.1730595), wk = 0.0026882 k( 223) = ( 0.1781495 -0.0000000 -0.1781495), wk = 0.0026882 k( 224) = ( 0.1832395 0.0000000 -0.1832395), wk = 0.0026882 k( 225) = ( 0.1883295 0.0000000 -0.1883295), wk = 0.0026882 k( 226) = ( 0.1934194 0.0000000 -0.1934194), wk = 0.0026882 k( 227) = ( 0.1985094 0.0000000 -0.1985094), wk = 0.0026882 k( 228) = ( 0.2035994 0.0000000 -0.2035994), wk = 0.0026882 k( 229) = ( 0.2086894 0.0000000 -0.2086894), wk = 0.0026882 k( 230) = ( 0.2137794 0.0000000 -0.2137794), wk = 0.0026882 k( 231) = ( 0.2188694 0.0000000 -0.2188694), wk = 0.0026882 k( 232) = ( 0.2239594 0.0000000 -0.2239593), wk = 0.0026882 k( 233) = ( 0.2290493 0.0000000 -0.2290493), wk = 0.0026882 k( 234) = ( 0.2341393 0.0000000 -0.2341393), wk = 0.0026882 k( 235) = ( 0.2392293 0.0000000 -0.2392293), wk = 0.0026882 k( 236) = ( 0.2443193 0.0000000 -0.2443193), wk = 0.0026882 k( 237) = ( 0.2494093 0.0000000 -0.2494093), wk = 0.0026882 k( 238) = ( 0.2544993 0.0000000 -0.2544993), wk = 0.0026882 k( 239) = ( 0.2595892 0.0000000 -0.2595892), wk = 0.0026882 k( 240) = ( 0.2646792 0.0000000 -0.2646792), wk = 0.0026882 k( 241) = ( 0.2697692 0.0000000 -0.2697692), wk = 0.0026882 k( 242) = ( 0.2748592 0.0000000 -0.2748592), wk = 0.0026882 k( 243) = ( 0.2799492 0.0000000 -0.2799492), wk = 0.0026882 k( 244) = ( 0.2850392 0.0000000 -0.2850392), wk = 0.0026882 k( 245) = ( 0.2901292 0.0000000 -0.2901292), wk = 0.0026882 k( 246) = ( 0.2952191 0.0000000 -0.2952191), wk = 0.0026882 k( 247) = ( 0.3003091 0.0000000 -0.3003091), wk = 0.0026882 k( 248) = ( 0.3053991 0.0000000 -0.3053991), wk = 0.0026882 k( 249) = ( 0.3104891 0.0000000 -0.3104891), wk = 0.0026882 k( 250) = ( 0.3155791 0.0000000 -0.3155791), wk = 0.0026882 k( 251) = ( 0.3206691 0.0000000 -0.3206691), wk = 0.0026882 k( 252) = ( 0.3257591 -0.0000000 -0.3257591), wk = 0.0026882 k( 253) = ( 0.3308490 0.0000000 -0.3308490), wk = 0.0026882 k( 254) = ( 0.3359390 0.0000000 -0.3359390), wk = 0.0026882 k( 255) = ( 0.3410290 0.0000000 -0.3410290), wk = 0.0026882 k( 256) = ( 0.6589710 0.3410290 0.0000000), wk = 0.0026882 k( 257) = ( 0.6540031 0.3459969 0.0000000), wk = 0.0026882 k( 258) = ( 0.6490353 0.3509647 0.0000000), wk = 0.0026882 k( 259) = ( 0.6440674 0.3559326 0.0000000), wk = 0.0026882 k( 260) = ( 0.6390996 0.3609004 0.0000000), wk = 0.0026882 k( 261) = ( 0.6341318 0.3658682 0.0000000), wk = 0.0026882 k( 262) = ( 0.6291639 0.3708361 0.0000000), wk = 0.0026882 k( 263) = ( 0.6241961 0.3758039 0.0000000), wk = 0.0026882 k( 264) = ( 0.6192282 0.3807718 0.0000000), wk = 0.0026882 k( 265) = ( 0.6142604 0.3857396 0.0000000), wk = 0.0026882 k( 266) = ( 0.6092926 0.3907075 0.0000000), wk = 0.0026882 k( 267) = ( 0.6043247 0.3956753 0.0000000), wk = 0.0026882 k( 268) = ( 0.5993569 0.4006431 0.0000000), wk = 0.0026882 k( 269) = ( 0.5943890 0.4056110 0.0000000), wk = 0.0026882 k( 270) = ( 0.5894212 0.4105788 0.0000000), wk = 0.0026882 k( 271) = ( 0.5844533 0.4155467 0.0000000), wk = 0.0026882 k( 272) = ( 0.5794855 0.4205145 0.0000000), wk = 0.0026882 k( 273) = ( 0.5745176 0.4254824 0.0000000), wk = 0.0026882 k( 274) = ( 0.5695498 0.4304502 0.0000000), wk = 0.0026882 k( 275) = ( 0.5645820 0.4354180 0.0000000), wk = 0.0026882 k( 276) = ( 0.5596141 0.4403859 0.0000000), wk = 0.0026882 k( 277) = ( 0.5546463 0.4453537 0.0000000), wk = 0.0026882 k( 278) = ( 0.5496784 0.4503216 0.0000000), wk = 0.0026882 k( 279) = ( 0.5447106 0.4552894 0.0000000), wk = 0.0026882 k( 280) = ( 0.5397428 0.4602573 0.0000000), wk = 0.0026882 k( 281) = ( 0.5347749 0.4652251 0.0000000), wk = 0.0026882 k( 282) = ( 0.5298071 0.4701929 0.0000000), wk = 0.0026882 k( 283) = ( 0.5248392 0.4751608 0.0000000), wk = 0.0026882 k( 284) = ( 0.5198714 0.4801286 0.0000000), wk = 0.0026882 k( 285) = ( 0.5149035 0.4850965 0.0000000), wk = 0.0026882 k( 286) = ( 0.5099357 0.4900643 0.0000000), wk = 0.0026882 k( 287) = ( 0.5049678 0.4950322 0.0000000), wk = 0.0026882 k( 288) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026882 k( 289) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026882 k( 290) = ( 0.5176634 0.5176634 0.0202287), wk = 0.0026882 k( 291) = ( 0.5353269 0.5353269 0.0404573), wk = 0.0026882 k( 292) = ( 0.5529903 0.5529903 0.0606860), wk = 0.0026882 k( 293) = ( 0.5706538 0.5706538 0.0809147), wk = 0.0026882 k( 294) = ( 0.5883172 0.5883172 0.1011433), wk = 0.0026882 k( 295) = ( 0.6059807 0.6059807 0.1213720), wk = 0.0026882 k( 296) = ( 0.6236441 0.6236441 0.1416007), wk = 0.0026882 k( 297) = ( 0.6413075 0.6413075 0.1618294), wk = 0.0026882 k( 298) = ( 0.6589710 0.6589710 0.1820580), wk = 0.0026882 k( 299) = ( 0.6589710 0.6589710 0.1820580), wk = 0.0026882 k( 300) = ( 0.6560271 0.6560271 0.1879458), wk = 0.0026882 k( 301) = ( 0.6530832 0.6530832 0.1938337), wk = 0.0026882 k( 302) = ( 0.6501393 0.6501393 0.1997215), wk = 0.0026882 k( 303) = ( 0.6471954 0.6471954 0.2056093), wk = 0.0026882 k( 304) = ( 0.6442514 0.6442515 0.2114971), wk = 0.0026882 k( 305) = ( 0.6413075 0.6413075 0.2173849), wk = 0.0026882 k( 306) = ( 0.6383636 0.6383636 0.2232727), wk = 0.0026882 k( 307) = ( 0.6354197 0.6354197 0.2291606), wk = 0.0026882 k( 308) = ( 0.6324758 0.6324758 0.2350484), wk = 0.0026882 k( 309) = ( 0.6295319 0.6295319 0.2409362), wk = 0.0026882 k( 310) = ( 0.6265880 0.6265880 0.2468240), wk = 0.0026882 k( 311) = ( 0.6236441 0.6236441 0.2527118), wk = 0.0026882 k( 312) = ( 0.6207002 0.6207002 0.2585996), wk = 0.0026882 k( 313) = ( 0.6177563 0.6177563 0.2644874), wk = 0.0026882 k( 314) = ( 0.6148124 0.6148124 0.2703753), wk = 0.0026882 k( 315) = ( 0.6118685 0.6118685 0.2762631), wk = 0.0026882 k( 316) = ( 0.6089246 0.6089246 0.2821509), wk = 0.0026882 k( 317) = ( 0.6059807 0.6059807 0.2880387), wk = 0.0026882 k( 318) = ( 0.6030368 0.6030368 0.2939265), wk = 0.0026882 k( 319) = ( 0.6000928 0.6000928 0.2998143), wk = 0.0026882 k( 320) = ( 0.5971489 0.5971489 0.3057021), wk = 0.0026882 k( 321) = ( 0.5942050 0.5942050 0.3115900), wk = 0.0026882 k( 322) = ( 0.5912611 0.5912611 0.3174778), wk = 0.0026882 k( 323) = ( 0.5883172 0.5883172 0.3233656), wk = 0.0026882 k( 324) = ( 0.5853733 0.5853733 0.3292534), wk = 0.0026882 k( 325) = ( 0.5824294 0.5824294 0.3351412), wk = 0.0026882 k( 326) = ( 0.5794855 0.5794855 0.3410290), wk = 0.0026882 k( 327) = ( 0.5765416 0.5765416 0.3469168), wk = 0.0026882 k( 328) = ( 0.5735977 0.5735977 0.3528046), wk = 0.0026882 k( 329) = ( 0.5706538 0.5706538 0.3586925), wk = 0.0026882 k( 330) = ( 0.5677099 0.5677099 0.3645803), wk = 0.0026882 k( 331) = ( 0.5647660 0.5647660 0.3704681), wk = 0.0026882 k( 332) = ( 0.5618220 0.5618220 0.3763559), wk = 0.0026882 k( 333) = ( 0.5588781 0.5588781 0.3822437), wk = 0.0026882 k( 334) = ( 0.5559342 0.5559342 0.3881315), wk = 0.0026882 k( 335) = ( 0.5529903 0.5529903 0.3940193), wk = 0.0026882 k( 336) = ( 0.5500464 0.5500464 0.3999072), wk = 0.0026882 k( 337) = ( 0.5471025 0.5471025 0.4057950), wk = 0.0026882 k( 338) = ( 0.5441586 0.5441586 0.4116828), wk = 0.0026882 k( 339) = ( 0.5412147 0.5412147 0.4175706), wk = 0.0026882 k( 340) = ( 0.5382708 0.5382708 0.4234584), wk = 0.0026882 k( 341) = ( 0.5353269 0.5353269 0.4293462), wk = 0.0026882 k( 342) = ( 0.5323830 0.5323830 0.4352340), wk = 0.0026882 k( 343) = ( 0.5294391 0.5294391 0.4411219), wk = 0.0026882 k( 344) = ( 0.5264952 0.5264952 0.4470097), wk = 0.0026882 k( 345) = ( 0.5235513 0.5235513 0.4528975), wk = 0.0026882 k( 346) = ( 0.5206074 0.5206074 0.4587853), wk = 0.0026882 k( 347) = ( 0.5176634 0.5176634 0.4646731), wk = 0.0026882 k( 348) = ( 0.5147195 0.5147195 0.4705609), wk = 0.0026882 k( 349) = ( 0.5117756 0.5117756 0.4764487), wk = 0.0026882 k( 350) = ( 0.5088317 0.5088317 0.4823366), wk = 0.0026882 k( 351) = ( 0.5058878 0.5058878 0.4882244), wk = 0.0026882 k( 352) = ( 0.5029439 0.5029439 0.4941122), wk = 0.0026882 k( 353) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 354) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026882 k( 355) = ( 0.5176634 0.0189461 0.0189461), wk = 0.0026882 k( 356) = ( 0.5353269 0.0378921 0.0378921), wk = 0.0026882 k( 357) = ( 0.5529903 0.0568382 0.0568382), wk = 0.0026882 k( 358) = ( 0.5706538 0.0757842 0.0757842), wk = 0.0026882 k( 359) = ( 0.5883172 0.0947303 0.0947303), wk = 0.0026882 k( 360) = ( 0.6059807 0.1136763 0.1136763), wk = 0.0026882 k( 361) = ( 0.6236441 0.1326224 0.1326224), wk = 0.0026882 k( 362) = ( 0.6413075 0.1515685 0.1515685), wk = 0.0026882 k( 363) = ( 0.6589710 0.1705145 0.1705145), wk = 0.0026882 k( 364) = ( 0.6766344 0.1894606 0.1894606), wk = 0.0026882 k( 365) = ( 0.6942979 0.2084066 0.2084066), wk = 0.0026882 k( 366) = ( 0.7119613 0.2273527 0.2273527), wk = 0.0026882 k( 367) = ( 0.7296248 0.2462987 0.2462987), wk = 0.0026882 k( 368) = ( 0.7472882 0.2652448 0.2652448), wk = 0.0026882 k( 369) = ( 0.7649516 0.2841909 0.2841909), wk = 0.0026882 k( 370) = ( 0.7826151 0.3031369 0.3031369), wk = 0.0026882 k( 371) = ( 0.8002785 0.3220830 0.3220830), wk = 0.0026882 k( 372) = ( 0.8179420 0.3410290 0.3410290), wk = 0.0026882 Dense grid: 50335 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 18179 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 144, 40) NL pseudopotentials 0.11 Mb ( 72, 96) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1398) G-vector shells 0.01 Mb ( 1182) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 144, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./KScO2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.2 secs Computing kpt #: 24 total cpu time spent up to now is 13.7 secs Computing kpt #: 25 total cpu time spent up to now is 14.1 secs Computing kpt #: 26 total cpu time spent up to now is 14.6 secs Computing kpt #: 27 total cpu time spent up to now is 15.0 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.9 secs Computing kpt #: 30 total cpu time spent up to now is 16.3 secs Computing kpt #: 31 total cpu time spent up to now is 16.8 secs Computing kpt #: 32 total cpu time spent up to now is 17.3 secs Computing kpt #: 33 total cpu time spent up to now is 17.8 secs Computing kpt #: 34 total cpu time spent up to now is 18.3 secs Computing kpt #: 35 total cpu time spent up to now is 18.8 secs Computing kpt #: 36 total cpu time spent up to now is 19.2 secs Computing kpt #: 37 total cpu time spent up to now is 19.7 secs Computing kpt #: 38 total cpu time spent up to now is 20.2 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.4 secs Computing kpt #: 41 total cpu time spent up to now is 21.8 secs Computing kpt #: 42 total cpu time spent up to now is 22.4 secs Computing kpt #: 43 total cpu time spent up to now is 22.8 secs Computing kpt #: 44 total cpu time spent up to now is 23.2 secs Computing kpt #: 45 total cpu time spent up to now is 23.7 secs Computing kpt #: 46 total cpu time spent up to now is 24.3 secs 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49.2 secs Computing kpt #: 94 total cpu time spent up to now is 50.1 secs Computing kpt #: 95 total cpu time spent up to now is 50.8 secs Computing kpt #: 96 total cpu time spent up to now is 51.5 secs Computing kpt #: 97 total cpu time spent up to now is 52.2 secs Computing kpt #: 98 total cpu time spent up to now is 53.1 secs Computing kpt #: 99 total cpu time spent up to now is 54.0 secs Computing kpt #: 100 total cpu time spent up to now is 55.0 secs Computing kpt #: 101 total cpu time spent up to now is 56.0 secs Computing kpt #: 102 total cpu time spent up to now is 57.0 secs Computing kpt #: 103 total cpu time spent up to now is 57.9 secs Computing kpt #: 104 total cpu time spent up to now is 59.3 secs Computing kpt #: 105 total cpu time spent up to now is 60.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.9 secs Computing kpt #: 107 total cpu time spent up to now is 63.1 secs Computing kpt #: 108 total cpu time spent up to 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Computing kpt #: 124 total cpu time spent up to now is 75.5 secs Computing kpt #: 125 total cpu time spent up to now is 76.1 secs Computing kpt #: 126 total cpu time spent up to now is 76.6 secs Computing kpt #: 127 total cpu time spent up to now is 77.2 secs Computing kpt #: 128 total cpu time spent up to now is 77.7 secs Computing kpt #: 129 total cpu time spent up to now is 78.4 secs Computing kpt #: 130 total cpu time spent up to now is 78.9 secs Computing kpt #: 131 total cpu time spent up to now is 79.4 secs Computing kpt #: 132 total cpu time spent up to now is 80.0 secs Computing kpt #: 133 total cpu time spent up to now is 80.5 secs Computing kpt #: 134 total cpu time spent up to now is 81.0 secs Computing kpt #: 135 total cpu time spent up to now is 81.5 secs Computing kpt #: 136 total cpu time spent up to now is 82.0 secs Computing kpt #: 137 total cpu time spent up to now is 82.6 secs Computing kpt #: 138 total cpu time spent up to now is 83.1 secs Computing kpt #: 139 total cpu time spent up to now is 83.6 secs Computing kpt #: 140 total cpu time spent up to now is 84.1 secs Computing kpt #: 141 total cpu time spent up to now is 84.6 secs Computing kpt #: 142 total cpu time spent up to now is 85.2 secs Computing kpt #: 143 total cpu time spent up to now is 85.6 secs Computing kpt #: 144 total cpu time spent up to now is 86.0 secs Computing kpt #: 145 total cpu time spent up to now is 86.5 secs Computing kpt #: 146 total cpu time spent up to now is 87.0 secs Computing kpt #: 147 total cpu time spent up to now is 87.4 secs Computing kpt #: 148 total cpu time spent up to now is 87.9 secs Computing kpt #: 149 total cpu time spent up to now is 88.3 secs Computing kpt #: 150 total cpu time spent up to now is 88.7 secs Computing kpt #: 151 total cpu time spent up to now is 89.2 secs Computing kpt #: 152 total cpu time spent up to now is 89.6 secs Computing kpt #: 153 total cpu time spent up to now is 90.0 secs Computing kpt #: 154 total cpu time spent up 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Computing kpt #: 170 total cpu time spent up to now is 97.2 secs Computing kpt #: 171 total cpu time spent up to now is 97.6 secs Computing kpt #: 172 total cpu time spent up to now is 98.0 secs Computing kpt #: 173 total cpu time spent up to now is 98.5 secs Computing kpt #: 174 total cpu time spent up to now is 98.9 secs Computing kpt #: 175 total cpu time spent up to now is 99.3 secs Computing kpt #: 176 total cpu time spent up to now is 99.8 secs Computing kpt #: 177 total cpu time spent up to now is 100.2 secs Computing kpt #: 178 total cpu time spent up to now is 100.6 secs Computing kpt #: 179 total cpu time spent up to now is 101.0 secs Computing kpt #: 180 total cpu time spent up to now is 101.5 secs Computing kpt #: 181 total cpu time spent up to now is 101.9 secs Computing kpt #: 182 total cpu time spent up to now is 102.3 secs Computing kpt #: 183 total cpu time spent up to now is 102.8 secs Computing kpt #: 184 total cpu time spent up to now is 103.2 secs Computing kpt #: 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cpu time spent up to now is 110.2 secs Computing kpt #: 201 total cpu time spent up to now is 110.6 secs Computing kpt #: 202 total cpu time spent up to now is 111.0 secs Computing kpt #: 203 total cpu time spent up to now is 111.4 secs Computing kpt #: 204 total cpu time spent up to now is 111.9 secs Computing kpt #: 205 total cpu time spent up to now is 112.3 secs Computing kpt #: 206 total cpu time spent up to now is 112.7 secs Computing kpt #: 207 total cpu time spent up to now is 113.2 secs Computing kpt #: 208 total cpu time spent up to now is 113.6 secs Computing kpt #: 209 total cpu time spent up to now is 114.1 secs Computing kpt #: 210 total cpu time spent up to now is 114.6 secs Computing kpt #: 211 total cpu time spent up to now is 115.0 secs Computing kpt #: 212 total cpu time spent up to now is 115.5 secs Computing kpt #: 213 total cpu time spent up to now is 116.1 secs Computing kpt #: 214 total cpu time spent up to now is 116.6 secs Computing kpt #: 215 total cpu time spent up to now is 117.1 secs Computing kpt #: 216 total cpu time spent up to now is 117.7 secs Computing kpt #: 217 total cpu time spent up to now is 118.4 secs Computing kpt #: 218 total cpu time spent up to now is 119.0 secs Computing kpt #: 219 total cpu time spent up to now is 119.8 secs Computing kpt #: 220 total cpu time spent up to now is 120.5 secs Computing kpt #: 221 total cpu time spent up to now is 121.5 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.8 secs Computing kpt #: 223 total cpu time spent up to now is 123.7 secs Computing kpt #: 224 total cpu time spent up to now is 124.6 secs Computing kpt #: 225 total cpu time spent up to now is 125.3 secs Computing kpt #: 226 total cpu time spent up to now is 126.0 secs Computing kpt #: 227 total cpu time spent up to now is 126.7 secs Computing kpt #: 228 total cpu time spent up to now is 127.5 secs Computing kpt #: 229 total cpu time spent up to now is 128.2 secs Computing kpt #: 230 total cpu time spent up to now is 128.8 secs Computing kpt #: 231 total cpu time spent up to now is 129.6 secs Computing kpt #: 232 total cpu time spent up to now is 130.2 secs Computing kpt #: 233 total cpu time spent up to now is 130.9 secs Computing kpt #: 234 total cpu time spent up to now is 131.4 secs Computing kpt #: 235 total cpu time spent up to now is 132.2 secs Computing kpt #: 236 total cpu time spent up to now is 132.8 secs Computing kpt #: 237 total cpu time spent up to now is 133.4 secs Computing kpt #: 238 total cpu time spent up to now is 134.1 secs Computing kpt #: 239 total cpu time spent up to now is 134.8 secs Computing kpt #: 240 total cpu time spent up to now is 135.4 secs Computing kpt #: 241 total cpu time spent up to now is 136.0 secs Computing kpt #: 242 total cpu time spent up to now is 136.7 secs Computing kpt #: 243 total cpu time spent up to now is 137.4 secs Computing kpt #: 244 total cpu time spent up to now is 138.0 secs Computing kpt #: 245 total cpu time spent up to now is 138.7 secs Computing kpt #: 246 total cpu time spent up to now is 139.3 secs Computing kpt #: 247 total cpu time spent up to now is 140.1 secs Computing kpt #: 248 total cpu time spent up to now is 141.1 secs Computing kpt #: 249 total cpu time spent up to now is 142.0 secs Computing kpt #: 250 total cpu time spent up to now is 142.8 secs Computing kpt #: 251 total cpu time spent up to now is 143.6 secs Computing kpt #: 252 total cpu time spent up to now is 144.2 secs Computing kpt #: 253 total cpu time spent up to now is 145.0 secs Computing kpt #: 254 total cpu time spent up to now is 145.7 secs Computing kpt #: 255 total cpu time spent up to now is 146.5 secs Computing kpt #: 256 total cpu time spent up to now is 147.2 secs Computing kpt #: 257 total cpu time spent up to now is 148.1 secs Computing kpt #: 258 total cpu time spent up to now is 148.9 secs Computing kpt #: 259 total cpu time spent up to now is 150.1 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.4 secs Computing kpt #: 261 total cpu time spent up to now is 152.6 secs Computing kpt #: 262 total cpu time spent up to now is 153.5 secs Computing kpt #: 263 total cpu time spent up to now is 154.3 secs Computing kpt #: 264 total cpu time spent up to now is 155.0 secs Computing kpt #: 265 total cpu time spent up to now is 155.7 secs Computing kpt #: 266 total cpu time spent up to now is 156.4 secs Computing kpt #: 267 total cpu time spent up to now is 157.0 secs Computing kpt #: 268 total cpu time spent up to now is 157.7 secs Computing kpt #: 269 total cpu time spent up to now is 158.2 secs Computing kpt #: 270 total cpu time spent up to now is 158.8 secs Computing kpt #: 271 total cpu time spent up to now is 159.3 secs Computing kpt #: 272 total cpu time spent up to now is 159.9 secs Computing kpt #: 273 total cpu time spent up to now is 160.4 secs Computing kpt #: 274 total cpu time spent up to now is 160.9 secs Computing kpt #: 275 total cpu time spent up to now is 161.5 secs Computing kpt #: 276 total cpu time spent up to now is 162.0 secs Computing kpt #: 277 total cpu time spent up to now is 162.5 secs Computing kpt #: 278 total cpu time spent up to now is 163.0 secs Computing kpt #: 279 total cpu time spent up to now is 163.6 secs Computing kpt #: 280 total cpu time spent up to now is 164.0 secs Computing kpt #: 281 total cpu time spent up to now is 164.5 secs Computing kpt #: 282 total cpu time spent up to now is 165.0 secs Computing kpt #: 283 total cpu time spent up to now is 165.4 secs Computing kpt #: 284 total cpu time spent up to now is 165.9 secs Computing kpt #: 285 total cpu time spent up to now is 166.3 secs Computing kpt #: 286 total cpu time spent up to now is 166.8 secs Computing kpt #: 287 total cpu time spent up to now is 167.2 secs Computing kpt #: 288 total cpu time spent up to now is 167.7 secs Computing kpt #: 289 total cpu time spent up to now is 168.1 secs Computing kpt #: 290 total cpu time spent up to now is 168.6 secs Computing kpt #: 291 total cpu time spent up to now is 169.0 secs Computing kpt #: 292 total cpu time spent up to now is 169.5 secs Computing kpt #: 293 total cpu time spent up to now is 169.9 secs Computing kpt #: 294 total cpu time spent up to now is 170.4 secs Computing kpt #: 295 total cpu time spent up to now is 170.8 secs Computing kpt #: 296 total cpu time spent up to now is 171.2 secs Computing kpt #: 297 total cpu time spent up to now is 171.7 secs Computing kpt #: 298 total cpu time spent up to now is 172.1 secs Computing kpt #: 299 total cpu time spent up to now is 172.5 secs Computing kpt #: 300 total cpu time spent up to now is 173.1 secs Computing kpt #: 301 total cpu time spent up to now is 173.5 secs Computing kpt #: 302 total cpu time spent up to now is 173.9 secs Computing kpt #: 303 total cpu time spent up to now is 174.4 secs Computing kpt #: 304 total cpu time spent up to now is 175.0 secs Computing kpt #: 305 total cpu time spent up to now is 175.4 secs Computing kpt #: 306 total cpu time spent up to now is 175.8 secs Computing kpt #: 307 total cpu time spent up to now is 176.3 secs Computing kpt #: 308 total cpu time spent up to now is 176.7 secs Computing kpt #: 309 total cpu time spent up to now is 177.2 secs Computing kpt #: 310 total cpu time spent up to now is 177.8 secs Computing kpt #: 311 total cpu time spent up to now is 178.2 secs Computing kpt #: 312 total cpu time spent up to now is 178.6 secs Computing kpt #: 313 total cpu time spent up to now is 179.2 secs Computing kpt #: 314 total cpu time spent up to now is 179.7 secs Computing kpt #: 315 total cpu time spent up to now is 180.3 secs Computing kpt #: 316 total cpu time spent up to now is 180.9 secs Computing kpt #: 317 total cpu time spent up to now is 181.4 secs Computing kpt #: 318 total cpu time spent up to now is 182.0 secs Computing kpt #: 319 total cpu time spent up to now is 182.6 secs Computing kpt #: 320 total cpu time spent up to now is 183.1 secs Computing kpt #: 321 total cpu time spent up to now is 183.7 secs Computing kpt #: 322 total cpu time spent up to now is 184.2 secs Computing kpt #: 323 total cpu time spent up to now is 184.7 secs Computing kpt #: 324 total cpu time spent up to now is 185.3 secs Computing kpt #: 325 total cpu time spent up to now is 185.8 secs Computing kpt #: 326 total cpu time spent up to now is 186.3 secs Computing kpt #: 327 total cpu time spent up to now is 186.8 secs Computing kpt #: 328 total cpu time spent up to now is 187.4 secs Computing kpt #: 329 total cpu time spent up to now is 187.9 secs Computing kpt #: 330 total cpu time spent up to now is 188.3 secs Computing kpt #: 331 total cpu time spent up to now is 188.8 secs Computing kpt #: 332 total cpu time spent up to now is 189.3 secs Computing kpt #: 333 total cpu time spent up to now is 189.7 secs Computing kpt #: 334 total cpu time spent up to now is 190.2 secs Computing kpt #: 335 total cpu time spent up to now is 190.7 secs Computing kpt #: 336 total cpu time spent up to now is 191.1 secs Computing kpt #: 337 total cpu time spent up to now is 191.5 secs Computing kpt #: 338 total cpu time spent up to now is 192.0 secs Computing kpt #: 339 total cpu time spent up to now is 192.4 secs Computing kpt #: 340 total cpu time spent up to now is 192.9 secs Computing kpt #: 341 total cpu time spent up to now is 193.3 secs Computing kpt #: 342 total cpu time spent up to now is 193.7 secs Computing kpt #: 343 total cpu time spent up to now is 194.1 secs Computing kpt #: 344 total cpu time spent up to now is 194.6 secs Computing kpt #: 345 total cpu time spent up to now is 195.0 secs Computing kpt #: 346 total cpu time spent up to now is 195.4 secs Computing kpt #: 347 total cpu time spent up to now is 195.9 secs Computing kpt #: 348 total cpu time spent up to now is 196.3 secs Computing kpt #: 349 total cpu time spent up to now is 196.7 secs Computing kpt #: 350 total cpu time spent up to now is 197.2 secs Computing kpt #: 351 total cpu time spent up to now is 197.6 secs Computing kpt #: 352 total cpu time spent up to now is 198.0 secs Computing kpt #: 353 total cpu time spent up to now is 198.4 secs Computing kpt #: 354 total cpu time spent up to now is 198.9 secs Computing kpt #: 355 total cpu time spent up to now is 199.4 secs Computing kpt #: 356 total cpu time spent up to now is 200.0 secs Computing kpt #: 357 total cpu time spent up to now is 200.5 secs Computing kpt #: 358 total cpu time spent up to now is 201.0 secs Computing kpt #: 359 total cpu time spent up to now is 201.5 secs Computing kpt #: 360 total cpu time spent up to now is 201.9 secs Computing kpt #: 361 total cpu time spent up to now is 202.3 secs Computing kpt #: 362 total cpu time spent up to now is 202.8 secs Computing kpt #: 363 total cpu time spent up to now is 203.2 secs Computing kpt #: 364 total cpu time spent up to now is 203.6 secs Computing kpt #: 365 total cpu time spent up to now is 204.1 secs Computing kpt #: 366 total cpu time spent up to now is 204.5 secs Computing kpt #: 367 total cpu time spent up to now is 204.9 secs Computing kpt #: 368 total cpu time spent up to now is 205.4 secs Computing kpt #: 369 total cpu time spent up to now is 205.8 secs Computing kpt #: 370 total cpu time spent up to now is 206.3 secs Computing kpt #: 371 total cpu time spent up to now is 206.8 secs Computing kpt #: 372 total cpu time spent up to now is 207.2 secs ethr = 3.13E-08, avg # of iterations = 26.9 total cpu time spent up to now is 207.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2253 PWs) bands (ev): -38.8832 -38.8832 -21.2128 -21.2128 -17.8778 -17.8778 -17.3331 -17.3331 -17.1262 -17.1262 -8.3049 -8.3049 -7.3621 -7.3621 -4.3140 -4.3140 -4.0623 -4.0623 -3.9726 -3.9726 4.9537 4.9537 5.7626 5.7626 5.7763 5.7763 7.6597 7.6597 7.9679 7.9679 7.9977 7.9977 12.2233 12.2233 13.1279 13.1279 13.1281 13.1281 13.5721 13.5721 k = 0.0086-0.0154-0.0093 ( 2253 PWs) bands (ev): -38.8832 -38.8832 -21.2126 -21.2126 -17.8778 -17.8778 -17.3333 -17.3333 -17.1264 -17.1264 -8.3041 -8.3041 -7.3623 -7.3623 -4.3143 -4.3143 -4.0628 -4.0628 -3.9733 -3.9733 4.9549 4.9549 5.7626 5.7626 5.7763 5.7763 7.6602 7.6602 7.9658 7.9658 7.9956 7.9956 12.2261 12.2261 13.1279 13.1279 13.1293 13.1293 13.5731 13.5731 k = 0.0172-0.0309-0.0186 ( 2253 PWs) bands (ev): -38.8831 -38.8831 -21.2121 -21.2121 -17.8777 -17.8777 -17.3339 -17.3339 -17.1273 -17.1273 -8.3019 -8.3019 -7.3627 -7.3627 -4.3153 -4.3153 -4.0641 -4.0641 -3.9753 -3.9753 4.9584 4.9584 5.7626 5.7626 5.7767 5.7767 7.6616 7.6616 7.9589 7.9589 7.9900 7.9900 12.2346 12.2346 13.1277 13.1277 13.1332 13.1332 13.5759 13.5759 k = 0.0259-0.0463-0.0280 ( 2252 PWs) bands (ev): -38.8828 -38.8828 -21.2112 -21.2112 -17.8776 -17.8776 -17.3348 -17.3348 -17.1288 -17.1288 -8.2983 -8.2983 -7.3634 -7.3634 -4.3170 -4.3170 -4.0664 -4.0664 -3.9785 -3.9785 4.9641 4.9641 5.7619 5.7619 5.7779 5.7779 7.6640 7.6640 7.9461 7.9461 7.9823 7.9823 12.2486 12.2486 13.1273 13.1273 13.1397 13.1397 13.5806 13.5806 k = 0.0345-0.0618-0.0373 ( 2250 PWs) bands (ev): -38.8825 -38.8825 -21.2100 -21.2100 -17.8774 -17.8774 -17.3361 -17.3361 -17.1308 -17.1308 -8.2932 -8.2932 -7.3644 -7.3644 -4.3194 -4.3194 -4.0697 -4.0697 -3.9828 -3.9828 4.9722 4.9722 5.7603 5.7603 5.7803 5.7803 7.6673 7.6673 7.9263 7.9263 7.9735 7.9735 12.2681 12.2681 13.1266 13.1266 13.1487 13.1487 13.5871 13.5871 k = 0.0431-0.0772-0.0466 ( 2254 PWs) bands (ev): -38.8821 -38.8821 -21.2084 -21.2084 -17.8772 -17.8772 -17.3377 -17.3377 -17.1334 -17.1334 -8.2867 -8.2867 -7.3657 -7.3657 -4.3225 -4.3225 -4.0740 -4.0740 -3.9881 -3.9881 4.9824 4.9824 5.7575 5.7575 5.7841 5.7841 7.6714 7.6714 7.8997 7.8997 7.9639 7.9639 12.2928 12.2928 13.1254 13.1254 13.1602 13.1602 13.5955 13.5955 k = 0.0517-0.0927-0.0559 ( 2253 PWs) bands (ev): -38.8816 -38.8816 -21.2064 -21.2064 -17.8770 -17.8770 -17.3398 -17.3398 -17.1365 -17.1365 -8.2787 -8.2787 -7.3673 -7.3673 -4.3263 -4.3263 -4.0794 -4.0794 -3.9943 -3.9943 4.9948 4.9948 5.7538 5.7538 5.7892 5.7892 7.6764 7.6764 7.8669 7.8669 7.9532 7.9532 12.3226 12.3226 13.1237 13.1237 13.1741 13.1741 13.6056 13.6056 k = 0.0603-0.1081-0.0652 ( 2250 PWs) bands (ev): -38.8810 -38.8810 -21.2042 -21.2042 -17.8768 -17.8768 -17.3422 -17.3422 -17.1400 -17.1400 -8.2694 -8.2694 -7.3692 -7.3692 -4.3310 -4.3310 -4.0860 -4.0860 -4.0011 -4.0011 5.0092 5.0092 5.7492 5.7492 5.7955 5.7955 7.6821 7.6821 7.8286 7.8286 7.9413 7.9413 12.3573 12.3573 13.1214 13.1214 13.1903 13.1903 13.6173 13.6173 k = 0.0690-0.1236-0.0746 ( 2254 PWs) bands (ev): -38.8804 -38.8804 -21.2016 -21.2016 -17.8765 -17.8765 -17.3450 -17.3450 -17.1440 -17.1440 -8.2588 -8.2588 -7.3714 -7.3714 -4.3365 -4.3365 -4.0939 -4.0939 -4.0083 -4.0083 5.0256 5.0256 5.7439 5.7439 5.8028 5.8028 7.6883 7.6883 7.7853 7.7853 7.9281 7.9281 12.3966 12.3966 13.1183 13.1183 13.2087 13.2087 13.6306 13.6306 k = 0.0776-0.1390-0.0839 ( 2255 PWs) bands (ev): -38.8796 -38.8796 -21.1986 -21.1986 -17.8763 -17.8763 -17.3482 -17.3482 -17.1484 -17.1484 -8.2468 -8.2468 -7.3739 -7.3739 -4.3430 -4.3430 -4.1030 -4.1030 -4.0157 -4.0157 5.0439 5.0439 5.7381 5.7381 5.8110 5.8110 7.6937 7.6937 7.7388 7.7388 7.9135 7.9135 12.4403 12.4403 13.1144 13.1144 13.2293 13.2293 13.6451 13.6451 k = 0.0862-0.1544-0.0932 ( 2256 PWs) bands (ev): -38.8788 -38.8788 -21.1954 -21.1954 -17.8761 -17.8761 -17.3518 -17.3518 -17.1532 -17.1532 -8.2336 -8.2336 -7.3768 -7.3768 -4.3506 -4.3506 -4.1132 -4.1132 -4.0233 -4.0233 5.0639 5.0639 5.7316 5.7316 5.8203 5.8203 7.6775 7.6775 7.7102 7.7102 7.8976 7.8976 12.4879 12.4879 13.1096 13.1096 13.2519 13.2519 13.6608 13.6608 k = 0.0948-0.1699-0.1025 ( 2253 PWs) bands (ev): -38.8779 -38.8779 -21.1918 -21.1918 -17.8759 -17.8759 -17.3558 -17.3558 -17.1582 -17.1582 -8.2192 -8.2192 -7.3799 -7.3799 -4.3593 -4.3593 -4.1246 -4.1246 -4.0307 -4.0307 5.0856 5.0856 5.7248 5.7248 5.8305 5.8305 7.6247 7.6247 7.7151 7.7151 7.8806 7.8806 12.5391 12.5391 13.1040 13.1040 13.2763 13.2763 13.6772 13.6772 k = 0.1034-0.1853-0.1118 ( 2255 PWs) bands (ev): -38.8769 -38.8769 -21.1880 -21.1880 -17.8757 -17.8757 -17.3602 -17.3602 -17.1635 -17.1635 -8.2036 -8.2036 -7.3833 -7.3833 -4.3693 -4.3693 -4.1368 -4.1368 -4.0381 -4.0381 5.1087 5.1087 5.7176 5.7176 5.8415 5.8415 7.5658 7.5658 7.7233 7.7233 7.8624 7.8624 12.5936 12.5936 13.0976 13.0976 13.3025 13.3025 13.6942 13.6942 k = 0.1121-0.2008-0.1212 ( 2253 PWs) bands (ev): -38.8758 -38.8758 -21.1838 -21.1838 -17.8757 -17.8757 -17.3650 -17.3650 -17.1690 -17.1690 -8.1869 -8.1869 -7.3871 -7.3871 -4.3808 -4.3808 -4.1496 -4.1496 -4.0454 -4.0454 5.1330 5.1330 5.7102 5.7102 5.8534 5.8534 7.5036 7.5036 7.7321 7.7321 7.8432 7.8432 12.6509 12.6509 13.0906 13.0906 13.3303 13.3303 13.7114 13.7114 k = 0.1207-0.2162-0.1305 ( 2255 PWs) bands (ev): -38.8747 -38.8747 -21.1794 -21.1794 -17.8757 -17.8757 -17.3702 -17.3702 -17.1746 -17.1746 -8.1691 -8.1691 -7.3911 -7.3911 -4.3938 -4.3938 -4.1627 -4.1627 -4.0526 -4.0526 5.1585 5.1585 5.7028 5.7028 5.8660 5.8660 7.4389 7.4389 7.7411 7.7411 7.8232 7.8232 12.7106 12.7106 13.0830 13.0830 13.3596 13.3596 13.7287 13.7287 k = 0.1293-0.2317-0.1398 ( 2259 PWs) bands (ev): -38.8735 -38.8735 -21.1747 -21.1747 -17.8759 -17.8759 -17.3758 -17.3758 -17.1803 -17.1803 -8.1504 -8.1504 -7.3954 -7.3954 -4.4086 -4.4086 -4.1759 -4.1759 -4.0597 -4.0597 5.1848 5.1848 5.6954 5.6954 5.8793 5.8793 7.3723 7.3723 7.7497 7.7497 7.8029 7.8029 12.7719 12.7719 13.0751 13.0751 13.3902 13.3902 13.7456 13.7456 k = 0.1379-0.2471-0.1491 ( 2260 PWs) bands (ev): -38.8723 -38.8723 -21.1697 -21.1697 -17.8762 -17.8762 -17.3817 -17.3817 -17.1861 -17.1861 -8.1308 -8.1308 -7.4001 -7.4001 -4.4251 -4.4251 -4.1888 -4.1888 -4.0668 -4.0668 5.2117 5.2117 5.6882 5.6882 5.8934 5.8934 7.3041 7.3041 7.7560 7.7560 7.7841 7.7841 12.8340 12.8340 13.0673 13.0673 13.4219 13.4219 13.7621 13.7621 k = 0.1466-0.2626-0.1584 ( 2259 PWs) bands (ev): -38.8709 -38.8709 -21.1645 -21.1645 -17.8767 -17.8767 -17.3880 -17.3880 -17.1918 -17.1918 -8.1104 -8.1104 -7.4049 -7.4049 -4.4435 -4.4435 -4.2012 -4.2012 -4.0738 -4.0738 5.2389 5.2389 5.6816 5.6816 5.9080 5.9080 7.2349 7.2349 7.7495 7.7495 7.7773 7.7773 12.8951 12.8951 13.0610 13.0610 13.4546 13.4546 13.7778 13.7778 k = 0.1552-0.2780-0.1678 ( 2257 PWs) bands (ev): -38.8696 -38.8696 -21.1591 -21.1591 -17.8774 -17.8774 -17.3946 -17.3946 -17.1975 -17.1975 -8.0892 -8.0892 -7.4100 -7.4100 -4.4638 -4.4638 -4.2130 -4.2130 -4.0807 -4.0807 5.2661 5.2661 5.6754 5.6754 5.9234 5.9234 7.1650 7.1650 7.7296 7.7296 7.7830 7.7830 12.9509 12.9509 13.0599 13.0599 13.4882 13.4882 13.7927 13.7927 k = 0.1638-0.2934-0.1771 ( 2255 PWs) bands (ev): -38.8681 -38.8681 -21.1535 -21.1535 -17.8783 -17.8783 -17.4015 -17.4015 -17.2031 -17.2031 -8.0674 -8.0674 -7.4153 -7.4153 -4.4858 -4.4858 -4.2242 -4.2242 -4.0877 -4.0877 5.2929 5.2929 5.6701 5.6701 5.9392 5.9392 7.0950 7.0950 7.7067 7.7067 7.7907 7.7907 12.9878 12.9878 13.0768 13.0768 13.5224 13.5224 13.8066 13.8066 k = 0.1724-0.3089-0.1864 ( 2258 PWs) bands (ev): -38.8667 -38.8667 -21.1476 -21.1476 -17.8795 -17.8795 -17.4087 -17.4087 -17.2086 -17.2086 -8.0451 -8.0451 -7.4207 -7.4207 -4.5096 -4.5096 -4.2345 -4.2345 -4.0947 -4.0947 5.3188 5.3188 5.6659 5.6659 5.9554 5.9554 7.0253 7.0253 7.6829 7.6829 7.7983 7.7983 12.9961 12.9961 13.1207 13.1207 13.5572 13.5572 13.8194 13.8194 k = 0.1810-0.3243-0.1957 ( 2259 PWs) bands (ev): -38.8652 -38.8652 -21.1416 -21.1416 -17.8809 -17.8809 -17.4160 -17.4160 -17.2139 -17.2139 -8.0223 -8.0223 -7.4262 -7.4262 -4.5348 -4.5348 -4.2442 -4.2442 -4.1016 -4.1016 5.3433 5.3433 5.6631 5.6631 5.9720 5.9720 6.9564 6.9564 7.6587 7.6587 7.8054 7.8054 12.9912 12.9912 13.1756 13.1756 13.5923 13.5923 13.8311 13.8311 k = 0.1897-0.3398-0.2050 ( 2264 PWs) bands (ev): -38.8636 -38.8636 -21.1354 -21.1354 -17.8827 -17.8827 -17.4235 -17.4235 -17.2191 -17.2191 -7.9993 -7.9993 -7.4318 -7.4318 -4.5613 -4.5613 -4.2532 -4.2532 -4.1085 -4.1085 5.3657 5.3657 5.6621 5.6621 5.9890 5.9890 6.8887 6.8887 7.6342 7.6342 7.8117 7.8117 12.9820 12.9820 13.2313 13.2313 13.6277 13.6277 13.8417 13.8417 k = 0.1983-0.3552-0.2144 ( 2262 PWs) bands (ev): -38.8620 -38.8620 -21.1291 -21.1291 -17.8848 -17.8848 -17.4310 -17.4310 -17.2241 -17.2241 -7.9762 -7.9762 -7.4372 -7.4372 -4.5890 -4.5890 -4.2616 -4.2616 -4.1153 -4.1153 5.3856 5.3856 5.6631 5.6631 6.0063 6.0063 6.8228 6.8228 7.6095 7.6095 7.8170 7.8170 12.9712 12.9712 13.2844 13.2844 13.6632 13.6632 13.8511 13.8511 k = 0.2069-0.3707-0.2237 ( 2264 PWs) bands (ev): -38.8604 -38.8604 -21.1227 -21.1227 -17.8873 -17.8873 -17.4386 -17.4386 -17.2289 -17.2289 -7.9531 -7.9531 -7.4424 -7.4424 -4.6177 -4.6177 -4.2695 -4.2695 -4.1220 -4.1220 5.4023 5.4023 5.6663 5.6663 6.0238 6.0238 6.7593 6.7593 7.5849 7.5849 7.8210 7.8210 12.9595 12.9595 13.3331 13.3331 13.6986 13.6986 13.8594 13.8594 k = 0.2155-0.3861-0.2330 ( 2263 PWs) bands (ev): -38.8587 -38.8587 -21.1161 -21.1161 -17.8901 -17.8901 -17.4461 -17.4461 -17.2335 -17.2335 -7.9303 -7.9303 -7.4473 -7.4473 -4.6471 -4.6471 -4.2769 -4.2769 -4.1286 -4.1286 5.4155 5.4155 5.6717 5.6717 6.0415 6.0415 6.6987 6.6987 7.5603 7.5603 7.8238 7.8238 12.9472 12.9472 13.3763 13.3763 13.7339 13.7339 13.8665 13.8665 k = 0.2241-0.4016-0.2423 ( 2263 PWs) bands (ev): -38.8571 -38.8571 -21.1095 -21.1095 -17.8933 -17.8933 -17.4535 -17.4535 -17.2379 -17.2379 -7.9079 -7.9079 -7.4516 -7.4516 -4.6771 -4.6771 -4.2839 -4.2839 -4.1352 -4.1352 5.4251 5.4251 5.6787 5.6787 6.0593 6.0593 6.6419 6.6419 7.5359 7.5359 7.8250 7.8250 12.9345 12.9345 13.4132 13.4132 13.7687 13.7687 13.8725 13.8725 k = 0.2328-0.4170-0.2516 ( 2263 PWs) bands (ev): -38.8554 -38.8554 -21.1027 -21.1027 -17.8970 -17.8970 -17.4607 -17.4607 -17.2421 -17.2421 -7.8863 -7.8863 -7.4552 -7.4552 -4.7076 -4.7076 -4.2906 -4.2906 -4.1415 -4.1415 5.4310 5.4310 5.6868 5.6868 6.0772 6.0772 6.5897 6.5897 7.5117 7.5117 7.8247 7.8247 12.9215 12.9215 13.4433 13.4433 13.8031 13.8031 13.8775 13.8775 k = 0.2414-0.4325-0.2610 ( 2265 PWs) bands (ev): -38.8537 -38.8537 -21.0959 -21.0959 -17.9011 -17.9011 -17.4678 -17.4678 -17.2461 -17.2461 -7.8656 -7.8656 -7.4578 -7.4578 -4.7383 -4.7383 -4.2971 -4.2971 -4.1478 -4.1478 5.4336 5.4336 5.6949 5.6949 6.0949 6.0949 6.5427 6.5427 7.4879 7.4879 7.8226 7.8226 12.9083 12.9083 13.4665 13.4665 13.8366 13.8366 13.8816 13.8816 k = 0.2500-0.4479-0.2703 ( 2265 PWs) bands (ev): -38.8520 -38.8520 -21.0891 -21.0891 -17.9056 -17.9056 -17.4746 -17.4746 -17.2499 -17.2499 -7.8464 -7.8464 -7.4592 -7.4592 -4.7692 -4.7692 -4.3033 -4.3033 -4.1538 -4.1538 5.4332 5.4332 5.7020 5.7020 6.1126 6.1126 6.5020 6.5020 7.4646 7.4646 7.8186 7.8186 12.8949 12.8949 13.4829 13.4829 13.8674 13.8674 13.8868 13.8868 k = 0.2586-0.4633-0.2796 ( 2263 PWs) bands (ev): -38.8503 -38.8503 -21.0823 -21.0823 -17.9105 -17.9105 -17.4811 -17.4811 -17.2535 -17.2535 -7.8288 -7.8288 -7.4589 -7.4589 -4.8001 -4.8001 -4.3094 -4.3094 -4.1596 -4.1596 5.4300 5.4300 5.7073 5.7073 6.1302 6.1302 6.4682 6.4682 7.4417 7.4417 7.8127 7.8127 12.8813 12.8813 13.4929 13.4929 13.8813 13.8813 13.9071 13.9071 k = 0.2672-0.4788-0.2889 ( 2269 PWs) bands (ev): -38.8486 -38.8486 -21.0755 -21.0755 -17.9158 -17.9158 -17.4872 -17.4872 -17.2569 -17.2569 -7.8133 -7.8133 -7.4568 -7.4568 -4.8309 -4.8309 -4.3153 -4.3153 -4.1653 -4.1653 5.4241 5.4241 5.7101 5.7101 6.1474 6.1474 6.4420 6.4420 7.4194 7.4194 7.8048 7.8048 12.8676 12.8676 13.4972 13.4972 13.8834 13.8834 13.9375 13.9375 k = 0.2759-0.4942-0.2982 ( 2273 PWs) bands (ev): -38.8469 -38.8469 -21.0687 -21.0687 -17.9215 -17.9215 -17.4931 -17.4931 -17.2601 -17.2601 -7.8001 -7.8001 -7.4525 -7.4525 -4.8615 -4.8615 -4.3211 -4.3211 -4.1707 -4.1707 5.4154 5.4154 5.7102 5.7102 6.1644 6.1644 6.4237 6.4237 7.3977 7.3977 7.7948 7.7948 12.8538 12.8538 13.4964 13.4964 13.8837 13.8837 13.9682 13.9682 k = 0.2845-0.5097-0.3075 ( 2274 PWs) bands (ev): -38.8453 -38.8453 -21.0619 -21.0619 -17.9276 -17.9276 -17.4985 -17.4985 -17.2631 -17.2631 -7.7895 -7.7895 -7.4458 -7.4458 -4.8917 -4.8917 -4.3268 -4.3268 -4.1759 -4.1759 5.4039 5.4039 5.7080 5.7080 6.1810 6.1810 6.4131 6.4131 7.3768 7.3768 7.7826 7.7826 12.8400 12.8400 13.4913 13.4913 13.8832 13.8832 13.9982 13.9982 k = 0.2931-0.5251-0.3169 ( 2275 PWs) bands (ev): -38.8436 -38.8436 -21.0552 -21.0552 -17.9339 -17.9339 -17.5035 -17.5035 -17.2660 -17.2660 -7.7816 -7.7816 -7.4367 -7.4367 -4.9216 -4.9216 -4.3324 -4.3324 -4.1809 -4.1809 5.3894 5.3894 5.7040 5.7040 6.1972 6.1972 6.4099 6.4099 7.3566 7.3566 7.7683 7.7683 12.8262 12.8262 13.4825 13.4825 13.8821 13.8821 14.0273 14.0273 k = 0.3017-0.5406-0.3262 ( 2277 PWs) bands (ev): -38.8420 -38.8420 -21.0487 -21.0487 -17.9406 -17.9406 -17.5082 -17.5082 -17.2686 -17.2686 -7.7763 -7.7763 -7.4253 -7.4253 -4.9509 -4.9509 -4.3379 -4.3379 -4.1856 -4.1856 5.3717 5.3717 5.6994 5.6994 6.2129 6.2129 6.4131 6.4131 7.3372 7.3372 7.7519 7.7519 12.8124 12.8124 13.4706 13.4706 13.8808 13.8808 14.0554 14.0554 k = 0.3103-0.5560-0.3355 ( 2275 PWs) bands (ev): -38.8404 -38.8404 -21.0422 -21.0422 -17.9475 -17.9475 -17.5124 -17.5124 -17.2711 -17.2711 -7.7736 -7.7736 -7.4116 -7.4116 -4.9796 -4.9796 -4.3434 -4.3434 -4.1901 -4.1901 5.3510 5.3510 5.6951 5.6951 6.2280 6.2280 6.4219 6.4219 7.3187 7.3187 7.7333 7.7333 12.7988 12.7988 13.4563 13.4563 13.8794 13.8794 14.0825 14.0825 k = 0.3190-0.5715-0.3448 ( 2275 PWs) bands (ev): -38.8388 -38.8388 -21.0358 -21.0358 -17.9545 -17.9545 -17.5163 -17.5163 -17.2734 -17.2734 -7.7731 -7.7731 -7.3961 -7.3961 -5.0077 -5.0077 -4.3488 -4.3488 -4.1944 -4.1944 5.3273 5.3273 5.6919 5.6919 6.2426 6.2426 6.4352 6.4352 7.3011 7.3011 7.7127 7.7127 12.7853 12.7853 13.4400 13.4400 13.8779 13.8779 14.1085 14.1085 k = 0.3276-0.5869-0.3541 ( 2275 PWs) bands (ev): -38.8373 -38.8373 -21.0296 -21.0296 -17.9617 -17.9617 -17.5199 -17.5199 -17.2756 -17.2756 -7.7744 -7.7744 -7.3791 -7.3791 -5.0350 -5.0350 -4.3541 -4.3541 -4.1985 -4.1985 5.3011 5.3011 5.6902 5.6902 6.2565 6.2565 6.4521 6.4521 7.2844 7.2844 7.6901 7.6901 12.7720 12.7720 13.4222 13.4222 13.8765 13.8765 14.1334 14.1334 k = 0.3362-0.6023-0.3635 ( 2277 PWs) bands (ev): -38.8358 -38.8358 -21.0235 -21.0235 -17.9690 -17.9690 -17.5231 -17.5231 -17.2776 -17.2776 -7.7773 -7.7773 -7.3609 -7.3609 -5.0614 -5.0614 -4.3593 -4.3593 -4.2023 -4.2023 5.2730 5.2730 5.6904 5.6904 6.2697 6.2697 6.4717 6.4717 7.2686 7.2686 7.6655 7.6655 12.7590 12.7590 13.4033 13.4033 13.8753 13.8753 14.1571 14.1571 k = 0.3448-0.6178-0.3728 ( 2278 PWs) bands (ev): -38.8344 -38.8344 -21.0176 -21.0176 -17.9763 -17.9763 -17.5259 -17.5259 -17.2794 -17.2794 -7.7815 -7.7815 -7.3419 -7.3419 -5.0871 -5.0871 -4.3644 -4.3644 -4.2060 -4.2060 5.2434 5.2434 5.6925 5.6925 6.2823 6.2823 6.4935 6.4935 7.2539 7.2539 7.6391 7.6391 12.7463 12.7463 13.3836 13.3836 13.8744 13.8744 14.1796 14.1796 k = 0.3534-0.6332-0.3821 ( 2276 PWs) bands (ev): -38.8330 -38.8330 -21.0120 -21.0120 -17.9836 -17.9836 -17.5285 -17.5285 -17.2811 -17.2811 -7.7865 -7.7865 -7.3225 -7.3225 -5.1117 -5.1117 -4.3693 -4.3693 -4.2094 -4.2094 5.2131 5.2131 5.6965 5.6965 6.2941 6.2941 6.5167 6.5167 7.2401 7.2401 7.6111 7.6111 12.7340 12.7340 13.3635 13.3635 13.8738 13.8738 14.2010 14.2010 k = 0.3621-0.6487-0.3914 ( 2274 PWs) bands (ev): -38.8317 -38.8317 -21.0065 -21.0065 -17.9907 -17.9907 -17.5308 -17.5308 -17.2827 -17.2827 -7.7923 -7.7923 -7.3029 -7.3029 -5.1353 -5.1353 -4.3741 -4.3741 -4.2127 -4.2127 5.1825 5.1825 5.7023 5.7023 6.3052 6.3052 6.5411 6.5411 7.2273 7.2273 7.5815 7.5815 12.7221 12.7221 13.3432 13.3432 13.8736 13.8736 14.2212 14.2212 k = 0.3707-0.6641-0.4007 ( 2273 PWs) bands (ev): -38.8304 -38.8304 -21.0013 -21.0013 -17.9977 -17.9977 -17.5328 -17.5328 -17.2841 -17.2841 -7.7985 -7.7985 -7.2833 -7.2833 -5.1578 -5.1578 -4.3788 -4.3788 -4.2157 -4.2157 5.1521 5.1521 5.7095 5.7095 6.3154 6.3154 6.5662 6.5662 7.2155 7.2155 7.5506 7.5506 12.7107 12.7107 13.3229 13.3229 13.8738 13.8738 14.2401 14.2401 k = 0.3793-0.6796-0.4101 ( 2271 PWs) bands (ev): -38.8292 -38.8292 -20.9963 -20.9963 -18.0046 -18.0046 -17.5346 -17.5346 -17.2854 -17.2854 -7.8050 -7.8050 -7.2641 -7.2641 -5.1793 -5.1793 -4.3833 -4.3833 -4.2186 -4.2186 5.1225 5.1225 5.7181 5.7181 6.3249 6.3249 6.5918 6.5918 7.2047 7.2047 7.5185 7.5185 12.6998 12.6998 13.3029 13.3029 13.8745 13.8745 14.2579 14.2579 k = 0.3879-0.6950-0.4194 ( 2267 PWs) bands (ev): -38.8281 -38.8281 -20.9917 -20.9917 -18.0111 -18.0111 -17.5362 -17.5362 -17.2865 -17.2865 -7.8115 -7.8115 -7.2454 -7.2454 -5.1995 -5.1995 -4.3875 -4.3875 -4.2213 -4.2213 5.0939 5.0939 5.7277 5.7277 6.3336 6.3336 6.6176 6.6176 7.1949 7.1949 7.4854 7.4854 12.6895 12.6895 13.2834 13.2834 13.8756 13.8756 14.2745 14.2745 k = 0.3966-0.7105-0.4287 ( 2271 PWs) bands (ev): -38.8270 -38.8270 -20.9872 -20.9872 -18.0174 -18.0174 -17.5376 -17.5376 -17.2876 -17.2876 -7.8181 -7.8181 -7.2274 -7.2274 -5.2185 -5.2185 -4.3916 -4.3916 -4.2239 -4.2239 5.0665 5.0665 5.7381 5.7381 6.3414 6.3414 6.6434 6.6434 7.1859 7.1859 7.4516 7.4516 12.6798 12.6798 13.2646 13.2646 13.8771 13.8771 14.2899 14.2899 k = 0.4052-0.7259-0.4380 ( 2275 PWs) bands (ev): -38.8260 -38.8260 -20.9831 -20.9831 -18.0234 -18.0234 -17.5389 -17.5389 -17.2885 -17.2885 -7.8246 -7.8246 -7.2103 -7.2103 -5.2362 -5.2362 -4.3954 -4.3954 -4.2262 -4.2262 5.0407 5.0407 5.7490 5.7490 6.3485 6.3485 6.6693 6.6693 7.1779 7.1779 7.4173 7.4173 12.6708 12.6708 13.2466 13.2466 13.8791 13.8791 14.3040 14.3040 k = 0.4138-0.7413-0.4473 ( 2277 PWs) bands (ev): -38.8251 -38.8251 -20.9793 -20.9793 -18.0289 -18.0289 -17.5399 -17.5399 -17.2894 -17.2894 -7.8308 -7.8308 -7.1942 -7.1942 -5.2525 -5.2525 -4.3989 -4.3989 -4.2284 -4.2284 5.0167 5.0167 5.7602 5.7602 6.3548 6.3548 6.6950 6.6950 7.1708 7.1708 7.3828 7.3828 12.6624 12.6624 13.2296 13.2296 13.8813 13.8813 14.3169 14.3169 k = 0.4224-0.7568-0.4567 ( 2273 PWs) bands (ev): -38.8242 -38.8242 -20.9759 -20.9759 -18.0340 -18.0340 -17.5408 -17.5408 -17.2901 -17.2901 -7.8366 -7.8366 -7.1792 -7.1792 -5.2675 -5.2675 -4.4022 -4.4022 -4.2304 -4.2304 4.9946 4.9946 5.7715 5.7715 6.3605 6.3605 6.7205 6.7205 7.1644 7.1644 7.3483 7.3483 12.6548 12.6548 13.2137 13.2137 13.8838 13.8838 14.3286 14.3286 k = 0.4310-0.7722-0.4660 ( 2273 PWs) bands (ev): -38.8235 -38.8235 -20.9727 -20.9727 -18.0387 -18.0387 -17.5416 -17.5416 -17.2907 -17.2907 -7.8420 -7.8420 -7.1654 -7.1654 -5.2810 -5.2810 -4.4051 -4.4051 -4.2322 -4.2322 4.9745 4.9745 5.7825 5.7825 6.3654 6.3654 6.7457 6.7457 7.1588 7.1588 7.3142 7.3142 12.6479 12.6479 13.1991 13.1991 13.8865 13.8865 14.3391 14.3391 k = 0.4397-0.7877-0.4753 ( 2277 PWs) bands (ev): -38.8228 -38.8228 -20.9699 -20.9699 -18.0430 -18.0430 -17.5423 -17.5423 -17.2913 -17.2913 -7.8469 -7.8469 -7.1530 -7.1530 -5.2930 -5.2930 -4.4078 -4.4078 -4.2338 -4.2338 4.9566 4.9566 5.7930 5.7930 6.3696 6.3696 6.7704 6.7704 7.1538 7.1538 7.2809 7.2809 12.6418 12.6418 13.1859 13.1859 13.8892 13.8892 14.3484 14.3484 k = 0.4483-0.8031-0.4846 ( 2274 PWs) bands (ev): -38.8222 -38.8222 -20.9675 -20.9675 -18.0467 -18.0467 -17.5429 -17.5429 -17.2918 -17.2918 -7.8513 -7.8513 -7.1421 -7.1421 -5.3035 -5.3035 -4.4101 -4.4101 -4.2352 -4.2352 4.9409 4.9409 5.8028 5.8028 6.3733 6.3733 6.7947 6.7947 7.1494 7.1494 7.2489 7.2489 12.6365 12.6365 13.1742 13.1742 13.8918 13.8918 14.3564 14.3564 k = 0.4569-0.8186-0.4939 ( 2273 PWs) bands (ev): -38.8217 -38.8217 -20.9654 -20.9654 -18.0498 -18.0498 -17.5434 -17.5434 -17.2921 -17.2921 -7.8551 -7.8551 -7.1327 -7.1327 -5.3125 -5.3125 -4.4121 -4.4121 -4.2364 -4.2364 4.9275 4.9275 5.8115 5.8115 6.3763 6.3763 6.8181 6.8181 7.1453 7.1453 7.2188 7.2188 12.6320 12.6320 13.1642 13.1642 13.8943 13.8943 14.3632 14.3632 k = 0.4655-0.8340-0.5033 ( 2281 PWs) bands (ev): -38.8213 -38.8213 -20.9637 -20.9637 -18.0525 -18.0525 -17.5437 -17.5437 -17.2925 -17.2925 -7.8582 -7.8582 -7.1249 -7.1249 -5.3199 -5.3199 -4.4138 -4.4138 -4.2375 -4.2375 4.9164 4.9164 5.8190 5.8190 6.3787 6.3787 6.8401 6.8401 7.1410 7.1410 7.1919 7.1919 12.6282 12.6282 13.1558 13.1558 13.8965 13.8965 14.3688 14.3688 k = 0.4741-0.8495-0.5126 ( 2283 PWs) bands (ev): -38.8210 -38.8210 -20.9624 -20.9624 -18.0545 -18.0545 -17.5440 -17.5440 -17.2927 -17.2927 -7.8607 -7.8607 -7.1188 -7.1188 -5.3257 -5.3257 -4.4150 -4.4150 -4.2383 -4.2383 4.9078 4.9078 5.8251 5.8251 6.3805 6.3805 6.8600 6.8600 7.1353 7.1353 7.1704 7.1704 12.6253 12.6253 13.1493 13.1493 13.8983 13.8983 14.3731 14.3731 k = 0.4828-0.8649-0.5219 ( 2285 PWs) bands (ev): -38.8207 -38.8207 -20.9614 -20.9614 -18.0560 -18.0560 -17.5442 -17.5442 -17.2929 -17.2929 -7.8625 -7.8625 -7.1144 -7.1144 -5.3298 -5.3298 -4.4160 -4.4160 -4.2388 -4.2388 4.9016 4.9016 5.8295 5.8295 6.3818 6.3818 6.8764 6.8764 7.1267 7.1267 7.1571 7.1571 12.6233 12.6233 13.1445 13.1445 13.8997 13.8997 14.3762 14.3762 k = 0.4914-0.8803-0.5312 ( 2285 PWs) bands (ev): -38.8206 -38.8206 -20.9608 -20.9608 -18.0569 -18.0569 -17.5444 -17.5444 -17.2930 -17.2930 -7.8635 -7.8635 -7.1117 -7.1117 -5.3323 -5.3323 -4.4165 -4.4165 -4.2392 -4.2392 4.8979 4.8979 5.8323 5.8323 6.3826 6.3826 6.8876 6.8876 7.1179 7.1179 7.1515 7.1515 12.6220 12.6220 13.1417 13.1417 13.9005 13.9005 14.3781 14.3781 k = 0.5000-0.8958-0.5405 ( 2286 PWs) bands (ev): -38.8206 -38.8206 -20.9606 -20.9606 -18.0572 -18.0572 -17.5444 -17.5444 -17.2930 -17.2930 -7.8639 -7.8639 -7.1108 -7.1108 -5.3331 -5.3331 -4.4167 -4.4167 -4.2393 -4.2393 4.8966 4.8966 5.8332 5.8332 6.3828 6.3828 6.8916 6.8916 7.1142 7.1142 7.1500 7.1500 12.6216 12.6216 13.1407 13.1407 13.9008 13.9008 14.3787 14.3787 k = 0.5000-0.8958-0.5405 ( 2286 PWs) bands (ev): -38.8206 -38.8206 -20.9606 -20.9606 -18.0572 -18.0572 -17.5444 -17.5444 -17.2930 -17.2930 -7.8639 -7.8639 -7.1108 -7.1108 -5.3331 -5.3331 -4.4167 -4.4167 -4.2393 -4.2393 4.8966 4.8966 5.8332 5.8332 6.3828 6.3828 6.8916 6.8916 7.1142 7.1142 7.1500 7.1500 12.6216 12.6216 13.1407 13.1407 13.9008 13.9008 14.3787 14.3787 k = 0.5000-0.8854-0.5577 ( 2284 PWs) bands (ev): -38.8205 -38.8205 -20.9606 -20.9606 -18.0571 -18.0571 -17.5444 -17.5444 -17.2934 -17.2934 -7.8633 -7.8633 -7.1113 -7.1113 -5.3328 -5.3328 -4.4173 -4.4173 -4.2395 -4.2395 4.8976 4.8976 5.8322 5.8322 6.3832 6.3832 6.8912 6.8912 7.1145 7.1145 7.1491 7.1491 12.6227 12.6227 13.1435 13.1435 13.9003 13.9003 14.3776 14.3776 k = 0.5000-0.8750-0.5749 ( 2282 PWs) bands (ev): -38.8205 -38.8205 -20.9604 -20.9604 -18.0567 -18.0567 -17.5443 -17.5443 -17.2943 -17.2943 -7.8615 -7.8615 -7.1126 -7.1126 -5.3317 -5.3317 -4.4191 -4.4191 -4.2402 -4.2402 4.9006 4.9006 5.8294 5.8294 6.3842 6.3842 6.8900 6.8900 7.1149 7.1149 7.1470 7.1470 12.6259 12.6259 13.1519 13.1519 13.8988 13.8988 14.3742 14.3742 k = 0.5000-0.8647-0.5921 ( 2280 PWs) bands (ev): -38.8204 -38.8204 -20.9601 -20.9601 -18.0560 -18.0560 -17.5442 -17.5442 -17.2960 -17.2960 -7.8585 -7.8585 -7.1148 -7.1148 -5.3298 -5.3298 -4.4220 -4.4220 -4.2414 -4.2414 4.9055 4.9055 5.8247 5.8247 6.3858 6.3858 6.8879 6.8879 7.1136 7.1136 7.1455 7.1455 12.6313 12.6313 13.1658 13.1658 13.8962 13.8962 14.3686 14.3686 k = 0.5000-0.8543-0.6093 ( 2278 PWs) bands (ev): -38.8203 -38.8203 -20.9596 -20.9596 -18.0551 -18.0551 -17.5441 -17.5441 -17.2982 -17.2982 -7.8543 -7.8543 -7.1179 -7.1179 -5.3273 -5.3273 -4.4263 -4.4263 -4.2429 -4.2429 4.9124 4.9124 5.8183 5.8183 6.3881 6.3881 6.8846 6.8846 7.1081 7.1081 7.1472 7.1472 12.6386 12.6386 13.1851 13.1851 13.8928 13.8928 14.3609 14.3609 k = 0.5000-0.8439-0.6265 ( 2274 PWs) bands (ev): -38.8202 -38.8202 -20.9590 -20.9590 -18.0539 -18.0539 -17.5440 -17.5440 -17.3011 -17.3011 -7.8489 -7.8489 -7.1218 -7.1218 -5.3240 -5.3240 -4.4318 -4.4318 -4.2448 -4.2448 4.9212 4.9212 5.8102 5.8102 6.3912 6.3912 6.8798 6.8798 7.0981 7.0981 7.1528 7.1528 12.6477 12.6477 13.2099 13.2099 13.8886 13.8886 14.3513 14.3513 k = 0.5000-0.8335-0.6437 ( 2276 PWs) bands (ev): -38.8200 -38.8200 -20.9583 -20.9583 -18.0524 -18.0524 -17.5438 -17.5438 -17.3046 -17.3046 -7.8425 -7.8425 -7.1266 -7.1266 -5.3200 -5.3200 -4.4387 -4.4387 -4.2468 -4.2468 4.9319 4.9319 5.8007 5.8007 6.3950 6.3950 6.8730 6.8730 7.0851 7.0851 7.1610 7.1610 12.6584 12.6584 13.2400 13.2400 13.8836 13.8836 14.3399 14.3399 k = 0.5000-0.8232-0.6609 ( 2272 PWs) bands (ev): -38.8198 -38.8198 -20.9575 -20.9575 -18.0508 -18.0508 -17.5436 -17.5436 -17.3086 -17.3086 -7.8349 -7.8349 -7.1322 -7.1322 -5.3153 -5.3153 -4.4469 -4.4469 -4.2490 -4.2490 4.9445 4.9445 5.7898 5.7898 6.3997 6.3997 6.8638 6.8638 7.0705 7.0705 7.1711 7.1711 12.6704 12.6704 13.2753 13.2753 13.8780 13.8780 14.3269 14.3269 k = 0.5000-0.8128-0.6781 ( 2272 PWs) bands (ev): -38.8196 -38.8196 -20.9566 -20.9566 -18.0489 -18.0489 -17.5435 -17.5435 -17.3132 -17.3132 -7.8263 -7.8263 -7.1385 -7.1385 -5.3100 -5.3100 -4.4566 -4.4566 -4.2512 -4.2512 4.9590 4.9590 5.7778 5.7778 6.4052 6.4052 6.8512 6.8512 7.0555 7.0555 7.1823 7.1823 12.6835 12.6835 13.3156 13.3156 13.8719 13.8719 14.3126 14.3126 k = 0.5000-0.8024-0.6953 ( 2274 PWs) bands (ev): -38.8193 -38.8193 -20.9556 -20.9556 -18.0468 -18.0468 -17.5433 -17.5433 -17.3182 -17.3182 -7.8166 -7.8166 -7.1457 -7.1457 -5.3039 -5.3039 -4.4678 -4.4678 -4.2533 -4.2533 4.9752 4.9752 5.7647 5.7647 6.4116 6.4116 6.8345 6.8345 7.0413 7.0413 7.1943 7.1943 12.6974 12.6974 13.3609 13.3609 13.8656 13.8656 14.2971 14.2971 k = 0.5000-0.7920-0.7125 ( 2274 PWs) bands (ev): -38.8191 -38.8191 -20.9545 -20.9545 -18.0445 -18.0445 -17.5431 -17.5431 -17.3237 -17.3237 -7.8060 -7.8060 -7.1537 -7.1537 -5.2972 -5.2972 -4.4803 -4.4803 -4.2553 -4.2553 4.9932 4.9932 5.7509 5.7509 6.4189 6.4189 6.8133 6.8133 7.0286 7.0286 7.2066 7.2066 12.7116 12.7116 13.4109 13.4109 13.8592 13.8592 14.2808 14.2808 k = 0.5000-0.7817-0.7297 ( 2276 PWs) bands (ev): -38.8188 -38.8188 -20.9533 -20.9533 -18.0421 -18.0421 -17.5429 -17.5429 -17.3296 -17.3296 -7.7944 -7.7944 -7.1623 -7.1623 -5.2898 -5.2898 -4.4942 -4.4942 -4.2572 -4.2572 5.0129 5.0129 5.7366 5.7366 6.4271 6.4271 6.7873 6.7873 7.0180 7.0180 7.2190 7.2190 12.7259 12.7259 13.4654 13.4654 13.8529 13.8529 14.2638 14.2638 k = 0.5000-0.7713-0.7469 ( 2280 PWs) bands (ev): -38.8185 -38.8185 -20.9520 -20.9520 -18.0395 -18.0395 -17.5428 -17.5428 -17.3358 -17.3358 -7.7819 -7.7819 -7.1717 -7.1717 -5.2819 -5.2819 -4.5095 -4.5095 -4.2589 -4.2589 5.0342 5.0342 5.7218 5.7218 6.4363 6.4363 6.7566 6.7566 7.0095 7.0095 7.2312 7.2312 12.7399 12.7399 13.5243 13.5243 13.8469 13.8469 14.2464 14.2464 k = 0.5000-0.7609-0.7641 ( 2282 PWs) bands (ev): -38.8181 -38.8181 -20.9507 -20.9507 -18.0368 -18.0368 -17.5427 -17.5427 -17.3423 -17.3423 -7.7686 -7.7686 -7.1817 -7.1817 -5.2733 -5.2733 -4.5260 -4.5260 -4.2604 -4.2604 5.0572 5.0572 5.7068 5.7068 6.4464 6.4464 6.7219 6.7219 7.0029 7.0029 7.2428 7.2428 12.7533 12.7533 13.5872 13.5872 13.8414 13.8414 14.2289 14.2289 k = 0.5000-0.7505-0.7813 ( 2280 PWs) bands (ev): -38.8178 -38.8178 -20.9493 -20.9493 -18.0339 -18.0339 -17.5426 -17.5426 -17.3489 -17.3489 -7.7546 -7.7546 -7.1923 -7.1923 -5.2641 -5.2641 -4.5437 -4.5437 -4.2617 -4.2617 5.0817 5.0817 5.6917 5.6917 6.4576 6.4576 6.6835 6.6835 6.9978 6.9978 7.2536 7.2536 12.7657 12.7657 13.6539 13.6539 13.8367 13.8367 14.2113 14.2113 k = 0.5000-0.7402-0.7985 ( 2280 PWs) bands (ev): -38.8175 -38.8175 -20.9478 -20.9478 -18.0310 -18.0310 -17.5426 -17.5426 -17.3557 -17.3557 -7.7398 -7.7398 -7.2034 -7.2034 -5.2543 -5.2543 -4.5624 -4.5624 -4.2629 -4.2629 5.1077 5.1077 5.6767 5.6767 6.4696 6.4696 6.6423 6.6423 6.9938 6.9938 7.2635 7.2635 12.7768 12.7768 13.7242 13.7242 13.8330 13.8330 14.1938 14.1938 k = 0.5000-0.7298-0.8157 ( 2274 PWs) bands (ev): -38.8171 -38.8171 -20.9463 -20.9463 -18.0280 -18.0280 -17.5426 -17.5426 -17.3625 -17.3625 -7.7243 -7.7243 -7.2151 -7.2151 -5.2440 -5.2440 -4.5820 -4.5820 -4.2638 -4.2638 5.1350 5.1350 5.6619 5.6619 6.4827 6.4827 6.5986 6.5986 6.9908 6.9908 7.2721 7.2721 12.7864 12.7864 13.7977 13.7977 13.8304 13.8304 14.1767 14.1767 k = 0.5000-0.7194-0.8329 ( 2270 PWs) bands (ev): -38.8167 -38.8167 -20.9448 -20.9448 -18.0250 -18.0250 -17.5428 -17.5428 -17.3693 -17.3693 -7.7083 -7.7083 -7.2273 -7.2273 -5.2332 -5.2332 -4.6025 -4.6025 -4.2646 -4.2646 5.1637 5.1637 5.6474 5.6474 6.4966 6.4966 6.5532 6.5532 6.9882 6.9882 7.2794 7.2794 12.7941 12.7941 13.8289 13.8289 13.8742 13.8742 14.1601 14.1601 k = 0.5000-0.7090-0.8501 ( 2272 PWs) bands (ev): -38.8164 -38.8164 -20.9433 -20.9433 -18.0220 -18.0220 -17.5430 -17.5430 -17.3760 -17.3760 -7.6919 -7.6919 -7.2400 -7.2400 -5.2220 -5.2220 -4.6235 -4.6235 -4.2652 -4.2652 5.1936 5.1936 5.6334 5.6334 6.5039 6.5039 6.5139 6.5139 6.9860 6.9860 7.2851 7.2851 12.7999 12.7999 13.8290 13.8290 13.9531 13.9531 14.1439 14.1439 k = 0.5000-0.6986-0.8673 ( 2278 PWs) bands (ev): -38.8160 -38.8160 -20.9418 -20.9418 -18.0191 -18.0191 -17.5434 -17.5434 -17.3825 -17.3825 -7.6751 -7.6751 -7.2530 -7.2530 -5.2103 -5.2103 -4.6451 -4.6451 -4.2658 -4.2658 5.2246 5.2246 5.6199 5.6199 6.4574 6.4574 6.5281 6.5281 6.9839 6.9839 7.2891 7.2891 12.8035 12.8035 13.8304 13.8304 14.0343 14.0343 14.1283 14.1283 k = 0.5000-0.6883-0.8845 ( 2276 PWs) bands (ev): -38.8156 -38.8156 -20.9402 -20.9402 -18.0162 -18.0162 -17.5438 -17.5438 -17.3889 -17.3889 -7.6578 -7.6578 -7.2664 -7.2664 -5.1982 -5.1982 -4.6671 -4.6671 -4.2662 -4.2662 5.2567 5.2567 5.6070 5.6070 6.4086 6.4086 6.5450 6.5450 6.9819 6.9819 7.2914 7.2914 12.8051 12.8051 13.8334 13.8334 14.1125 14.1125 14.1181 14.1181 k = 0.5000-0.6779-0.9016 ( 2278 PWs) bands (ev): -38.8153 -38.8153 -20.9388 -20.9388 -18.0134 -18.0134 -17.5444 -17.5444 -17.3949 -17.3949 -7.6404 -7.6404 -7.2800 -7.2800 -5.1858 -5.1858 -4.6892 -4.6892 -4.2666 -4.2666 5.2897 5.2897 5.5948 5.5948 6.3592 6.3592 6.5629 6.5629 6.9797 6.9797 7.2919 7.2919 12.8044 12.8044 13.8378 13.8378 14.0987 14.0987 14.2017 14.2018 k = 0.5000-0.6675-0.9188 ( 2280 PWs) bands (ev): -38.8149 -38.8149 -20.9373 -20.9373 -18.0107 -18.0107 -17.5451 -17.5451 -17.4005 -17.4005 -7.6228 -7.6228 -7.2939 -7.2939 -5.1731 -5.1731 -4.7114 -4.7114 -4.2669 -4.2669 5.3237 5.3237 5.5834 5.5834 6.3096 6.3096 6.5817 6.5817 6.9772 6.9772 7.2905 7.2905 12.8018 12.8018 13.8436 13.8436 14.0848 14.0848 14.2871 14.2871 k = 0.5000-0.6571-0.9360 ( 2276 PWs) bands (ev): -38.8146 -38.8146 -20.9359 -20.9359 -18.0082 -18.0082 -17.5459 -17.5459 -17.4057 -17.4057 -7.6052 -7.6052 -7.3079 -7.3079 -5.1602 -5.1602 -4.7334 -4.7334 -4.2672 -4.2672 5.3583 5.3583 5.5728 5.5728 6.2602 6.2602 6.6014 6.6014 6.9745 6.9745 7.2873 7.2873 12.7972 12.7972 13.8507 13.8507 14.0713 14.0713 14.3732 14.3732 k = 0.5000-0.6468-0.9532 ( 2284 PWs) bands (ev): -38.8143 -38.8143 -20.9346 -20.9346 -18.0059 -18.0059 -17.5468 -17.5468 -17.4104 -17.4104 -7.5875 -7.5875 -7.3221 -7.3221 -5.1472 -5.1472 -4.7551 -4.7551 -4.2674 -4.2674 5.3936 5.3936 5.5629 5.5629 6.2110 6.2110 6.6220 6.6220 6.9713 6.9713 7.2822 7.2822 12.7908 12.7908 13.8591 13.8591 14.0582 14.0582 14.4593 14.4594 k = 0.5000-0.6364-0.9704 ( 2284 PWs) bands (ev): -38.8140 -38.8140 -20.9334 -20.9334 -18.0038 -18.0038 -17.5477 -17.5477 -17.4146 -17.4146 -7.5700 -7.5700 -7.3363 -7.3363 -5.1342 -5.1342 -4.7763 -4.7763 -4.2676 -4.2676 5.4295 5.4295 5.5540 5.5540 6.1625 6.1625 6.6435 6.6435 6.9677 6.9677 7.2754 7.2754 12.7828 12.7828 13.8685 13.8685 14.0454 14.0454 14.5453 14.5453 k = 0.5000-0.6260-0.9876 ( 2282 PWs) bands (ev): -38.8137 -38.8137 -20.9322 -20.9322 -18.0020 -18.0020 -17.5487 -17.5487 -17.4183 -17.4183 -7.5527 -7.5527 -7.3506 -7.3506 -5.1213 -5.1213 -4.7967 -4.7967 -4.2677 -4.2677 5.4658 5.4658 5.5459 5.5459 6.1147 6.1147 6.6659 6.6659 6.9635 6.9635 7.2668 7.2668 12.7735 12.7735 13.8788 13.8788 14.0327 14.0327 14.6305 14.6305 k = 0.5000-0.6156-1.0048 ( 2274 PWs) bands (ev): -38.8134 -38.8134 -20.9312 -20.9312 -18.0003 -18.0003 -17.5497 -17.5497 -17.4214 -17.4214 -7.5357 -7.5357 -7.3647 -7.3647 -5.1089 -5.1089 -4.8160 -4.8160 -4.2678 -4.2678 5.5022 5.5022 5.5389 5.5389 6.0678 6.0678 6.6891 6.6891 6.9588 6.9588 7.2566 7.2566 12.7631 12.7631 13.8900 13.8900 14.0200 14.0200 14.7146 14.7146 k = 0.5000-0.6053-1.0220 ( 2272 PWs) bands (ev): -38.8132 -38.8132 -20.9303 -20.9303 -17.9990 -17.9990 -17.5506 -17.5506 -17.4240 -17.4240 -7.5191 -7.5191 -7.3787 -7.3787 -5.0971 -5.0971 -4.8338 -4.8338 -4.2679 -4.2679 5.5302 5.5302 5.5411 5.5411 6.0222 6.0222 6.7130 6.7130 6.9533 6.9533 7.2450 7.2450 12.7518 12.7518 13.9018 13.9018 14.0072 14.0072 14.7971 14.7971 k = 0.5000-0.5949-1.0392 ( 2274 PWs) bands (ev): -38.8130 -38.8130 -20.9295 -20.9295 -17.9979 -17.9979 -17.5515 -17.5515 -17.4261 -17.4261 -7.5030 -7.5030 -7.3926 -7.3926 -5.0863 -5.0863 -4.8498 -4.8498 -4.2680 -4.2680 5.5260 5.5260 5.5764 5.5764 5.9780 5.9780 6.7375 6.7375 6.9472 6.9472 7.2320 7.2320 12.7398 12.7398 13.9142 13.9142 13.9943 13.9943 14.8774 14.8774 k = 0.5000-0.5845-1.0564 ( 2272 PWs) bands (ev): -38.8129 -38.8129 -20.9288 -20.9288 -17.9971 -17.9971 -17.5522 -17.5522 -17.4277 -17.4277 -7.4876 -7.4876 -7.4061 -7.4061 -5.0770 -5.0770 -4.8633 -4.8633 -4.2680 -4.2680 5.5214 5.5214 5.6127 5.6127 5.9356 5.9356 6.7627 6.7627 6.9402 6.9402 7.2179 7.2179 12.7274 12.7274 13.9268 13.9268 13.9813 13.9813 14.9552 14.9552 k = 0.5000-0.5741-1.0736 ( 2270 PWs) bands (ev): -38.8128 -38.8128 -20.9284 -20.9284 -17.9965 -17.9965 -17.5527 -17.5527 -17.4287 -17.4287 -7.4730 -7.4730 -7.4192 -7.4192 -5.0698 -5.0698 -4.8737 -4.8737 -4.2680 -4.2680 5.5174 5.5174 5.6484 5.6484 5.8953 5.8953 6.7883 6.7883 6.9325 6.9325 7.2031 7.2031 12.7147 12.7147 13.9389 13.9389 13.9688 13.9688 15.0298 15.0298 k = 0.5000-0.5638-1.0908 ( 2268 PWs) bands (ev): -38.8127 -38.8127 -20.9281 -20.9281 -17.9962 -17.9962 -17.5531 -17.5531 -17.4294 -17.4294 -7.4597 -7.4597 -7.4315 -7.4315 -5.0653 -5.0653 -4.8803 -4.8803 -4.2680 -4.2680 5.5140 5.5140 5.6824 5.6824 5.8582 5.8582 6.8142 6.8142 6.9241 6.9241 7.1877 7.1877 12.7020 12.7020 13.9439 13.9439 13.9631 13.9631 15.1006 15.1006 k = 0.5000-0.5534-1.1080 ( 2264 PWs) bands (ev): -38.8127 -38.8127 -20.9280 -20.9280 -17.9962 -17.9962 -17.5532 -17.5532 -17.4295 -17.4295 -7.4520 -7.4520 -7.4386 -7.4386 -5.0638 -5.0638 -4.8827 -4.8827 -4.2679 -4.2679 5.5114 5.5114 5.7118 5.7118 5.8273 5.8273 6.8401 6.8401 6.9147 6.9147 7.1723 7.1723 12.6894 12.6894 13.9333 13.9333 13.9727 13.9727 15.1668 15.1668 k = 0.5000-0.5430-1.1252 ( 2268 PWs) bands (ev): -38.8127 -38.8127 -20.9281 -20.9281 -17.9963 -17.9963 -17.5531 -17.5531 -17.4293 -17.4293 -7.4597 -7.4597 -7.4308 -7.4308 -5.0654 -5.0654 -4.8809 -4.8809 -4.2678 -4.2678 5.5092 5.5092 5.7267 5.7267 5.8122 5.8122 6.8655 6.8655 6.9046 6.9046 7.1574 7.1574 12.6771 12.6771 13.9181 13.9181 13.9864 13.9864 15.2276 15.2276 k = 0.5000-0.5326-1.1424 ( 2270 PWs) bands (ev): -38.8128 -38.8128 -20.9284 -20.9284 -17.9966 -17.9966 -17.5527 -17.5527 -17.4287 -17.4287 -7.4708 -7.4708 -7.4203 -7.4203 -5.0695 -5.0695 -4.8753 -4.8753 -4.2675 -4.2675 5.5076 5.5076 5.7156 5.7156 5.8247 5.8247 6.8880 6.8880 6.8954 6.8954 7.1439 7.1439 12.6653 12.6653 13.9015 13.9015 14.0010 14.0010 15.2820 15.2820 k = 0.5000-0.5223-1.1596 ( 2272 PWs) bands (ev): -38.8129 -38.8129 -20.9289 -20.9289 -17.9970 -17.9970 -17.5521 -17.5521 -17.4277 -17.4277 -7.4818 -7.4818 -7.4104 -7.4104 -5.0756 -5.0756 -4.8664 -4.8664 -4.2673 -4.2673 5.5063 5.5063 5.6909 5.6909 5.8523 5.8523 6.8810 6.8810 6.9129 6.9129 7.1330 7.1330 12.6540 12.6540 13.8838 13.8838 14.0161 14.0161 15.3290 15.3290 k = 0.8179-0.4395-1.0026 ( 2272 PWs) bands (ev): -38.8129 -38.8129 -20.9289 -20.9289 -17.9970 -17.9970 -17.5521 -17.5521 -17.4277 -17.4277 -7.4818 -7.4818 -7.4104 -7.4104 -5.0756 -5.0756 -4.8664 -4.8664 -4.2673 -4.2673 5.5063 5.5063 5.6909 5.6909 5.8523 5.8523 6.8810 6.8810 6.9129 6.9129 7.1330 7.1330 12.6540 12.6540 13.8838 13.8838 14.0161 14.0161 15.3290 15.3290 k = 0.8129-0.4305-0.9854 ( 2272 PWs) bands (ev): -38.8131 -38.8131 -20.9297 -20.9297 -17.9975 -17.9975 -17.5513 -17.5513 -17.4264 -17.4264 -7.4923 -7.4923 -7.4016 -7.4016 -5.0827 -5.0827 -4.8551 -4.8551 -4.2669 -4.2669 5.5054 5.5054 5.6636 5.6636 5.8839 5.8839 6.8684 6.8684 6.9313 6.9313 7.1265 7.1265 12.6435 12.6435 13.8651 13.8651 14.0314 14.0314 15.3677 15.3677 k = 0.8078-0.4214-0.9683 ( 2272 PWs) bands (ev): -38.8134 -38.8134 -20.9307 -20.9307 -17.9980 -17.9980 -17.5502 -17.5502 -17.4247 -17.4247 -7.5022 -7.5022 -7.3940 -7.3940 -5.0903 -5.0903 -4.8419 -4.8419 -4.2665 -4.2665 5.5047 5.5047 5.6367 5.6367 5.9166 5.9166 6.8549 6.8549 6.9442 6.9442 7.1264 7.1264 12.6338 12.6338 13.8455 13.8455 14.0469 14.0469 15.3976 15.3977 k = 0.8028-0.4124-0.9511 ( 2272 PWs) bands (ev): -38.8137 -38.8137 -20.9319 -20.9319 -17.9985 -17.9985 -17.5489 -17.5489 -17.4227 -17.4227 -7.5115 -7.5115 -7.3877 -7.3877 -5.0979 -5.0979 -4.8273 -4.8273 -4.2659 -4.2659 5.5042 5.5042 5.6112 5.6112 5.9492 5.9492 6.8406 6.8406 6.9501 6.9501 7.1344 7.1344 12.6251 12.6251 13.8249 13.8249 14.0626 14.0626 15.4186 15.4186 k = 0.7978-0.4034-0.9339 ( 2276 PWs) bands (ev): -38.8140 -38.8140 -20.9334 -20.9334 -17.9990 -17.9990 -17.5475 -17.5475 -17.4204 -17.4204 -7.5201 -7.5201 -7.3827 -7.3827 -5.1050 -5.1050 -4.8117 -4.8117 -4.2652 -4.2652 5.5037 5.5037 5.5876 5.5876 5.9814 5.9814 6.8255 6.8255 6.9493 6.9493 7.1502 7.1502 12.6173 12.6173 13.8034 13.8034 14.0783 14.0783 15.4308 15.4308 k = 0.7927-0.3943-0.9168 ( 2276 PWs) bands (ev): -38.8144 -38.8144 -20.9352 -20.9352 -17.9994 -17.9994 -17.5460 -17.5460 -17.4178 -17.4178 -7.5279 -7.5279 -7.3792 -7.3792 -5.1114 -5.1114 -4.7953 -4.7953 -4.2645 -4.2645 5.5031 5.5031 5.5659 5.5659 6.0129 6.0129 6.8097 6.8097 6.9436 6.9436 7.1724 7.1724 12.6107 12.6107 13.7809 13.7809 14.0941 14.0941 15.4347 15.4347 k = 0.7877-0.3853-0.8996 ( 2278 PWs) bands (ev): -38.8149 -38.8149 -20.9372 -20.9372 -17.9996 -17.9996 -17.5443 -17.5443 -17.4148 -17.4148 -7.5350 -7.5350 -7.3772 -7.3772 -5.1169 -5.1169 -4.7784 -4.7784 -4.2636 -4.2636 5.5022 5.5022 5.5463 5.5463 6.0434 6.0434 6.7933 6.7933 6.9351 6.9351 7.1989 7.1989 12.6052 12.6052 13.7575 13.7575 14.1097 14.1097 15.4310 15.4310 k = 0.7826-0.3762-0.8825 ( 2274 PWs) bands (ev): -38.8155 -38.8155 -20.9395 -20.9395 -17.9996 -17.9996 -17.5426 -17.5426 -17.4116 -17.4116 -7.5412 -7.5412 -7.3767 -7.3767 -5.1213 -5.1213 -4.7609 -4.7609 -4.2625 -4.2625 5.5011 5.5011 5.5290 5.5290 6.0730 6.0730 6.7763 6.7763 6.9253 6.9253 7.2284 7.2284 12.6010 12.6010 13.7333 13.7333 14.1251 14.1251 15.4202 15.4202 k = 0.7776-0.3672-0.8653 ( 2270 PWs) bands (ev): -38.8161 -38.8161 -20.9420 -20.9420 -17.9994 -17.9994 -17.5408 -17.5408 -17.4081 -17.4081 -7.5467 -7.5467 -7.3778 -7.3778 -5.1245 -5.1245 -4.7431 -4.7431 -4.2614 -4.2614 5.4994 5.4994 5.5140 5.5140 6.1015 6.1015 6.7588 6.7588 6.9154 6.9154 7.2599 7.2599 12.5981 12.5981 13.7083 13.7083 14.1402 14.1402 15.4031 15.4031 k = 0.7725-0.3582-0.8481 ( 2272 PWs) bands (ev): -38.8168 -38.8168 -20.9448 -20.9448 -17.9989 -17.9989 -17.5390 -17.5390 -17.4043 -17.4043 -7.5513 -7.5513 -7.3805 -7.3805 -5.1265 -5.1265 -4.7251 -4.7251 -4.2601 -4.2601 5.4964 5.4964 5.5020 5.5020 6.1287 6.1287 6.7409 6.7409 6.9062 6.9062 7.2926 7.2926 12.5966 12.5966 13.6825 13.6825 14.1548 14.1548 15.3802 15.3802 k = 0.7675-0.3491-0.8310 ( 2272 PWs) bands (ev): -38.8175 -38.8175 -20.9479 -20.9479 -17.9981 -17.9981 -17.5372 -17.5372 -17.4003 -17.4003 -7.5550 -7.5550 -7.3848 -7.3848 -5.1270 -5.1270 -4.7068 -4.7068 -4.2587 -4.2587 5.4888 5.4888 5.4963 5.4963 6.1546 6.1546 6.7227 6.7227 6.8981 6.8981 7.3262 7.3262 12.5965 12.5965 13.6560 13.6560 14.1688 14.1688 15.3519 15.3519 k = 0.7624-0.3401-0.8138 ( 2270 PWs) bands (ev): -38.8183 -38.8183 -20.9513 -20.9513 -17.9971 -17.9971 -17.5354 -17.5354 -17.3960 -17.3960 -7.5578 -7.5578 -7.3908 -7.3908 -5.1262 -5.1262 -4.6885 -4.6885 -4.2572 -4.2572 5.4805 5.4805 5.4927 5.4927 6.1791 6.1791 6.7044 6.7044 6.8915 6.8915 7.3603 7.3603 12.5979 12.5979 13.6288 13.6288 14.1819 14.1819 15.3187 15.3187 k = 0.7574-0.3310-0.7967 ( 2268 PWs) bands (ev): -38.8192 -38.8192 -20.9549 -20.9549 -17.9956 -17.9956 -17.5335 -17.5335 -17.3914 -17.3914 -7.5597 -7.5597 -7.3983 -7.3983 -5.1239 -5.1239 -4.6700 -4.6700 -4.2555 -4.2555 5.4740 5.4740 5.4887 5.4887 6.2020 6.2020 6.6861 6.6861 6.8867 6.8867 7.3947 7.3947 12.6007 12.6007 13.6011 13.6011 14.1941 14.1941 15.2811 15.2811 k = 0.7523-0.3220-0.7795 ( 2268 PWs) bands (ev): -38.8201 -38.8201 -20.9588 -20.9588 -17.9939 -17.9939 -17.5317 -17.5317 -17.3867 -17.3867 -7.5607 -7.5607 -7.4075 -7.4075 -5.1202 -5.1202 -4.6514 -4.6514 -4.2538 -4.2538 5.4695 5.4695 5.4840 5.4840 6.2232 6.2232 6.6682 6.6682 6.8839 6.8839 7.4292 7.4292 12.6052 12.6052 13.5728 13.5728 14.2051 14.2051 15.2394 15.2394 k = 0.7473-0.3129-0.7623 ( 2272 PWs) bands (ev): -38.8211 -38.8211 -20.9630 -20.9630 -17.9918 -17.9918 -17.5300 -17.5300 -17.3817 -17.3817 -7.5608 -7.5608 -7.4183 -7.4183 -5.1150 -5.1150 -4.6329 -4.6329 -4.2519 -4.2519 5.4669 5.4669 5.4787 5.4787 6.2424 6.2424 6.6508 6.6508 6.8833 6.8833 7.4636 7.4636 12.6112 12.6112 13.5441 13.5441 14.2148 14.2148 15.1940 15.1940 k = 0.7422-0.3039-0.7452 ( 2278 PWs) bands (ev): -38.8222 -38.8222 -20.9674 -20.9674 -17.9893 -17.9893 -17.5282 -17.5282 -17.3766 -17.3766 -7.5601 -7.5601 -7.4308 -7.4308 -5.1083 -5.1083 -4.6145 -4.6145 -4.2500 -4.2500 5.4659 5.4659 5.4730 5.4730 6.2596 6.2596 6.6342 6.6342 6.8849 6.8849 7.4977 7.4977 12.6188 12.6188 13.5149 13.5149 14.2230 14.2230 15.1454 15.1454 k = 0.7372-0.2949-0.7280 ( 2278 PWs) bands (ev): -38.8233 -38.8233 -20.9721 -20.9721 -17.9865 -17.9865 -17.5265 -17.5265 -17.3714 -17.3714 -7.5584 -7.5584 -7.4447 -7.4447 -5.1001 -5.1001 -4.5961 -4.5961 -4.2479 -4.2479 5.4640 5.4640 5.4695 5.4695 6.2743 6.2743 6.6190 6.6190 6.8889 6.8889 7.5313 7.5313 12.6280 12.6280 13.4855 13.4855 14.2295 14.2295 15.0939 15.0939 k = 0.7321-0.2858-0.7109 ( 2280 PWs) bands (ev): -38.8245 -38.8245 -20.9770 -20.9770 -17.9833 -17.9833 -17.5247 -17.5247 -17.3660 -17.3660 -7.5558 -7.5558 -7.4602 -7.4602 -5.0904 -5.0904 -4.5778 -4.5778 -4.2458 -4.2458 5.4575 5.4575 5.4714 5.4714 6.2864 6.2864 6.6056 6.6056 6.8952 6.8952 7.5643 7.5643 12.6388 12.6388 13.4558 13.4558 14.2343 14.2343 15.0400 15.0400 k = 0.7271-0.2768-0.6937 ( 2274 PWs) bands (ev): -38.8258 -38.8258 -20.9822 -20.9822 -17.9797 -17.9797 -17.5228 -17.5228 -17.3604 -17.3604 -7.5523 -7.5523 -7.4771 -7.4771 -5.0793 -5.0793 -4.5596 -4.5596 -4.2436 -4.2436 5.4498 5.4498 5.4757 5.4757 6.2952 6.2952 6.5946 6.5946 6.9039 6.9039 7.5965 7.5965 12.6513 12.6513 13.4260 13.4260 14.2372 14.2372 14.9839 14.9839 k = 0.7221-0.2677-0.6765 ( 2276 PWs) bands (ev): -38.8271 -38.8271 -20.9875 -20.9875 -17.9758 -17.9758 -17.5210 -17.5210 -17.3548 -17.3548 -7.5480 -7.5480 -7.4953 -7.4953 -5.0667 -5.0667 -4.5417 -4.5417 -4.2413 -4.2413 5.4415 5.4415 5.4816 5.4816 6.3006 6.3006 6.5863 6.5863 6.9147 6.9147 7.6277 7.6277 12.6653 12.6653 13.3960 13.3960 14.2380 14.2380 14.9261 14.9261 k = 0.7170-0.2587-0.6594 ( 2272 PWs) bands (ev): -38.8284 -38.8284 -20.9931 -20.9931 -17.9716 -17.9716 -17.5190 -17.5190 -17.3491 -17.3491 -7.5432 -7.5432 -7.5146 -7.5146 -5.0526 -5.0526 -4.5240 -4.5240 -4.2389 -4.2389 5.4329 5.4329 5.4887 5.4887 6.3021 6.3021 6.5815 6.5815 6.9278 6.9278 7.6577 7.6577 12.6809 12.6809 13.3660 13.3660 14.2368 14.2368 14.8669 14.8669 k = 0.7120-0.2497-0.6422 ( 2272 PWs) bands (ev): -38.8298 -38.8298 -20.9989 -20.9989 -17.9672 -17.9672 -17.5169 -17.5169 -17.3433 -17.3433 -7.5420 -7.5420 -7.5308 -7.5308 -5.0372 -5.0372 -4.5066 -4.5066 -4.2364 -4.2364 5.4240 5.4240 5.4969 5.4969 6.2999 6.2999 6.5803 6.5803 6.9431 6.9431 7.6865 7.6865 12.6980 12.6980 13.3361 13.3361 14.2336 14.2336 14.8067 14.8067 k = 0.7069-0.2406-0.6251 ( 2270 PWs) bands (ev): -38.8313 -38.8313 -21.0049 -21.0049 -17.9625 -17.9625 -17.5147 -17.5147 -17.3375 -17.3375 -7.5602 -7.5602 -7.5280 -7.5280 -5.0204 -5.0204 -4.4895 -4.4895 -4.2339 -4.2339 5.4150 5.4150 5.5060 5.5060 6.2940 6.2940 6.5827 6.5827 6.9603 6.9603 7.7137 7.7137 12.7166 12.7166 13.3063 13.3063 14.2282 14.2282 14.7458 14.7458 k = 0.7019-0.2316-0.6079 ( 2272 PWs) bands (ev): -38.8328 -38.8328 -21.0111 -21.0111 -17.9575 -17.9575 -17.5123 -17.5123 -17.3316 -17.3316 -7.5833 -7.5833 -7.5207 -7.5207 -5.0023 -5.0023 -4.4728 -4.4728 -4.2312 -4.2312 5.4060 5.4060 5.5157 5.5157 6.2849 6.2849 6.5886 6.5886 6.9794 6.9794 7.7392 7.7392 12.7367 12.7367 13.2767 13.2767 14.2207 14.2207 14.6844 14.6844 k = 0.6968-0.2225-0.5907 ( 2278 PWs) bands (ev): -38.8343 -38.8343 -21.0175 -21.0175 -17.9525 -17.9525 -17.5098 -17.5098 -17.3257 -17.3257 -7.6077 -7.6077 -7.5124 -7.5124 -4.9830 -4.9830 -4.4565 -4.4565 -4.2284 -4.2284 5.3972 5.3972 5.5257 5.5257 6.2731 6.2731 6.5977 6.5977 7.0002 7.0002 7.7628 7.7628 12.7581 12.7581 13.2474 13.2474 14.2112 14.2112 14.6231 14.6231 k = 0.6918-0.2135-0.5736 ( 2280 PWs) bands (ev): -38.8359 -38.8359 -21.0240 -21.0240 -17.9473 -17.9473 -17.5070 -17.5070 -17.3198 -17.3198 -7.6333 -7.6333 -7.5032 -7.5032 -4.9625 -4.9625 -4.4407 -4.4407 -4.2255 -4.2255 5.3888 5.3888 5.5359 5.5359 6.2594 6.2594 6.6096 6.6096 7.0227 7.0227 7.7844 7.7844 12.7809 12.7809 13.2185 13.2185 14.1998 14.1998 14.5619 14.5619 k = 0.6867-0.2044-0.5564 ( 2278 PWs) bands (ev): -38.8375 -38.8375 -21.0306 -21.0306 -17.9420 -17.9420 -17.5040 -17.5040 -17.3139 -17.3139 -7.6598 -7.6598 -7.4933 -7.4933 -4.9409 -4.9409 -4.4254 -4.4254 -4.2223 -4.2223 5.3808 5.3808 5.5461 5.5461 6.2442 6.2442 6.6241 6.6241 7.0467 7.0467 7.8038 7.8038 12.8048 12.8048 13.1899 13.1899 14.1865 14.1865 14.5012 14.5012 k = 0.6817-0.1954-0.5393 ( 2282 PWs) bands (ev): -38.8391 -38.8391 -21.0374 -21.0374 -17.9367 -17.9367 -17.5007 -17.5007 -17.3080 -17.3080 -7.6872 -7.6872 -7.4828 -7.4828 -4.9182 -4.9182 -4.4107 -4.4107 -4.2190 -4.2190 5.3733 5.3733 5.5558 5.5558 6.2280 6.2280 6.6411 6.6411 7.0719 7.0719 7.8207 7.8207 12.8299 12.8299 13.1619 13.1619 14.1714 14.1714 14.4412 14.4412 k = 0.6766-0.1864-0.5221 ( 2276 PWs) bands (ev): -38.8408 -38.8408 -21.0442 -21.0442 -17.9313 -17.9313 -17.4970 -17.4970 -17.3021 -17.3021 -7.7154 -7.7154 -7.4716 -7.4716 -4.8945 -4.8945 -4.3967 -4.3967 -4.2153 -4.2153 5.3667 5.3667 5.5649 5.5649 6.2111 6.2111 6.6604 6.6604 7.0984 7.0984 7.8351 7.8351 12.8559 12.8559 13.1344 13.1344 14.1547 14.1547 14.3821 14.3821 k = 0.6716-0.1773-0.5049 ( 2278 PWs) bands (ev): -38.8425 -38.8425 -21.0512 -21.0512 -17.9261 -17.9261 -17.4931 -17.4931 -17.2962 -17.2962 -7.7442 -7.7442 -7.4599 -7.4599 -4.8700 -4.8700 -4.3834 -4.3834 -4.2113 -4.2113 5.3608 5.3608 5.5731 5.5731 6.1938 6.1938 6.6821 6.6821 7.1258 7.1258 7.8468 7.8468 12.8827 12.8827 13.1076 13.1076 14.1365 14.1365 14.3241 14.3241 k = 0.6665-0.1683-0.4878 ( 2278 PWs) bands (ev): -38.8442 -38.8442 -21.0582 -21.0582 -17.9209 -17.9209 -17.4888 -17.4888 -17.2903 -17.2903 -7.7736 -7.7736 -7.4476 -7.4476 -4.8447 -4.8447 -4.3708 -4.3708 -4.2070 -4.2070 5.3559 5.3559 5.5802 5.5802 6.1763 6.1763 6.7061 6.7061 7.1540 7.1540 7.8557 7.8557 12.9103 12.9103 13.0815 13.0815 14.1169 14.1169 14.2674 14.2674 k = 0.6615-0.1592-0.4706 ( 2274 PWs) bands (ev): -38.8460 -38.8460 -21.0652 -21.0652 -17.9159 -17.9159 -17.4842 -17.4842 -17.2844 -17.2844 -7.8035 -7.8035 -7.4349 -7.4349 -4.8187 -4.8187 -4.3591 -4.3591 -4.2022 -4.2022 5.3521 5.3521 5.5861 5.5861 6.1589 6.1589 6.7325 6.7325 7.1830 7.1830 7.8616 7.8616 12.9384 12.9384 13.0562 13.0562 14.0960 14.0960 14.2121 14.2121 k = 0.6564-0.1502-0.4535 ( 2264 PWs) bands (ev): -38.8477 -38.8477 -21.0723 -21.0723 -17.9110 -17.9110 -17.4792 -17.4792 -17.2785 -17.2785 -7.8337 -7.8337 -7.4217 -7.4217 -4.7921 -4.7921 -4.3482 -4.3482 -4.1970 -4.1970 5.3495 5.3495 5.5906 5.5906 6.1416 6.1416 6.7613 6.7613 7.2124 7.2124 7.8644 7.8644 12.9667 12.9667 13.0318 13.0318 14.0739 14.0739 14.1583 14.1583 k = 0.6514-0.1412-0.4363 ( 2264 PWs) bands (ev): -38.8494 -38.8494 -21.0794 -21.0794 -17.9065 -17.9065 -17.4739 -17.4739 -17.2726 -17.2726 -7.8643 -7.8643 -7.4082 -7.4082 -4.7651 -4.7651 -4.3382 -4.3382 -4.1912 -4.1912 5.3480 5.3480 5.5936 5.5936 6.1244 6.1244 6.7925 6.7925 7.2421 7.2421 7.8642 7.8642 12.9936 12.9936 13.0099 13.0099 14.0507 14.0507 14.1061 14.1061 k = 0.6464-0.1321-0.4191 ( 2266 PWs) bands (ev): -38.8512 -38.8512 -21.0865 -21.0865 -17.9021 -17.9021 -17.4682 -17.4682 -17.2668 -17.2668 -7.8950 -7.8950 -7.3944 -7.3944 -4.7379 -4.7379 -4.3290 -4.3290 -4.1849 -4.1849 5.3479 5.3479 5.5951 5.5951 6.1074 6.1074 6.8261 6.8261 7.2719 7.2719 7.8609 7.8609 12.9838 12.9838 13.0257 13.0257 14.0260 14.0260 14.0561 14.0561 k = 0.6413-0.1231-0.4020 ( 2262 PWs) bands (ev): -38.8529 -38.8529 -21.0936 -21.0936 -17.8981 -17.8981 -17.4623 -17.4623 -17.2609 -17.2609 -7.9258 -7.9258 -7.3803 -7.3803 -4.7104 -4.7104 -4.3206 -4.3206 -4.1781 -4.1781 5.3493 5.3493 5.5950 5.5950 6.0908 6.0908 6.8622 6.8622 7.3015 7.3015 7.8546 7.8546 12.9623 12.9623 13.0538 13.0538 13.9968 13.9968 14.0114 14.0114 k = 0.6363-0.1140-0.3848 ( 2264 PWs) bands (ev): -38.8547 -38.8547 -21.1007 -21.1007 -17.8944 -17.8944 -17.4560 -17.4560 -17.2550 -17.2550 -7.9567 -7.9567 -7.3661 -7.3661 -4.6830 -4.6830 -4.3129 -4.3129 -4.1709 -4.1709 5.3520 5.3520 5.5935 5.5935 6.0744 6.0744 6.9006 6.9006 7.3308 7.3308 7.8453 7.8453 12.9415 12.9415 13.0819 13.0819 13.9545 13.9545 13.9807 13.9807 k = 0.6312-0.1050-0.3677 ( 2264 PWs) bands (ev): -38.8564 -38.8564 -21.1077 -21.1077 -17.8909 -17.8909 -17.4495 -17.4495 -17.2491 -17.2491 -7.9874 -7.9874 -7.3517 -7.3517 -4.6558 -4.6558 -4.3057 -4.3057 -4.1632 -4.1632 5.3563 5.3563 5.5905 5.5905 6.0582 6.0582 6.9411 6.9411 7.3593 7.3593 7.8333 7.8333 12.9216 12.9216 13.1095 13.1095 13.9088 13.9088 13.9543 13.9543 k = 0.6262-0.0959-0.3505 ( 2260 PWs) bands (ev): -38.8581 -38.8581 -21.1145 -21.1145 -17.8878 -17.8878 -17.4427 -17.4427 -17.2431 -17.2431 -8.0179 -8.0179 -7.3372 -7.3372 -4.6289 -4.6289 -4.2989 -4.2989 -4.1551 -4.1551 5.3622 5.3622 5.5862 5.5862 6.0424 6.0424 6.9838 6.9838 7.3867 7.3867 7.8188 7.8188 12.9027 12.9027 13.1362 13.1362 13.8639 13.8639 13.9282 13.9282 k = 0.6211-0.0869-0.3333 ( 2262 PWs) bands (ev): -38.8598 -38.8598 -21.1214 -21.1214 -17.8850 -17.8850 -17.4358 -17.4358 -17.2371 -17.2371 -8.0481 -8.0481 -7.3228 -7.3228 -4.6027 -4.6027 -4.2923 -4.2923 -4.1468 -4.1468 5.3696 5.3696 5.5807 5.5807 6.0269 6.0269 7.0283 7.0283 7.4125 7.4125 7.8024 7.8024 12.8849 12.8849 13.1618 13.1618 13.8199 13.8199 13.9023 13.9023 k = 0.6161-0.0779-0.3162 ( 2256 PWs) bands (ev): -38.8615 -38.8615 -21.1280 -21.1280 -17.8826 -17.8826 -17.4288 -17.4288 -17.2311 -17.2311 -8.0780 -8.0780 -7.3083 -7.3083 -4.5774 -4.5774 -4.2856 -4.2856 -4.1383 -4.1383 5.3787 5.3787 5.5743 5.5743 6.0116 6.0116 7.0745 7.0745 7.4359 7.4359 7.7847 7.7847 12.8680 12.8680 13.1860 13.1860 13.7770 13.7770 13.8765 13.8765 k = 0.6110-0.0688-0.2990 ( 2260 PWs) bands (ev): -38.8631 -38.8631 -21.1346 -21.1346 -17.8804 -17.8804 -17.4217 -17.4217 -17.2251 -17.2251 -8.1074 -8.1074 -7.2940 -7.2940 -4.5532 -4.5532 -4.2788 -4.2788 -4.1297 -4.1297 5.3893 5.3893 5.5669 5.5669 5.9966 5.9966 7.1221 7.1221 7.4558 7.4558 7.7670 7.7670 12.8523 12.8523 13.2086 13.2086 13.7352 13.7352 13.8511 13.8511 k = 0.6060-0.0598-0.2819 ( 2260 PWs) bands (ev): -38.8647 -38.8647 -21.1410 -21.1410 -17.8786 -17.8786 -17.4146 -17.4146 -17.2190 -17.2190 -8.1362 -8.1362 -7.2798 -7.2798 -4.5304 -4.5304 -4.2714 -4.2714 -4.1209 -4.1209 5.4017 5.4017 5.5589 5.5589 5.9819 5.9819 7.1709 7.1709 7.4707 7.4707 7.7508 7.7508 12.8375 12.8375 13.2293 13.2293 13.6942 13.6942 13.8262 13.8262 k = 0.6009-0.0507-0.2647 ( 2256 PWs) bands (ev): -38.8662 -38.8662 -21.1472 -21.1472 -17.8770 -17.8770 -17.4076 -17.4076 -17.2129 -17.2129 -8.1643 -8.1643 -7.2659 -7.2659 -4.5093 -4.5093 -4.2633 -4.2633 -4.1122 -4.1122 5.4157 5.4157 5.5503 5.5503 5.9675 5.9675 7.2206 7.2206 7.4785 7.4785 7.7382 7.7382 12.8239 12.8239 13.2478 13.2478 13.6542 13.6542 13.8020 13.8020 k = 0.5959-0.0417-0.2475 ( 2260 PWs) bands (ev): -38.8677 -38.8677 -21.1533 -21.1533 -17.8757 -17.8757 -17.4007 -17.4007 -17.2067 -17.2067 -8.1918 -8.1918 -7.2522 -7.2522 -4.4901 -4.4901 -4.2543 -4.2543 -4.1034 -4.1034 5.4312 5.4312 5.5413 5.5413 5.9534 5.9534 7.2709 7.2709 7.4772 7.4772 7.7313 7.7313 12.8112 12.8112 13.2638 13.2638 13.6151 13.6151 13.7790 13.7790 k = 0.5908-0.0327-0.2304 ( 2262 PWs) bands (ev): -38.8692 -38.8692 -21.1591 -21.1591 -17.8747 -17.8747 -17.3940 -17.3940 -17.2006 -17.2006 -8.2184 -8.2184 -7.2389 -7.2389 -4.4731 -4.4731 -4.2443 -4.2443 -4.0947 -4.0947 5.4483 5.4483 5.5320 5.5320 5.9396 5.9396 7.3214 7.3214 7.4659 7.4659 7.7314 7.7314 12.7996 12.7996 13.2769 13.2769 13.5769 13.5769 13.7574 13.7574 k = 0.5858-0.0236-0.2132 ( 2262 PWs) bands (ev): -38.8706 -38.8706 -21.1647 -21.1647 -17.8739 -17.8739 -17.3874 -17.3874 -17.1944 -17.1944 -8.2440 -8.2440 -7.2259 -7.2259 -4.4583 -4.4583 -4.2333 -4.2333 -4.0860 -4.0860 5.4668 5.4668 5.5228 5.5228 5.9263 5.9263 7.3715 7.3715 7.4457 7.4457 7.7378 7.7378 12.7889 12.7889 13.2870 13.2870 13.5397 13.5397 13.7374 13.7374 k = 0.5807-0.0146-0.1961 ( 2254 PWs) bands (ev): -38.8720 -38.8720 -21.1701 -21.1701 -17.8732 -17.8732 -17.3811 -17.3811 -17.1883 -17.1883 -8.2687 -8.2687 -7.2134 -7.2134 -4.4457 -4.4457 -4.2214 -4.2214 -4.0773 -4.0773 5.4865 5.4865 5.5137 5.5137 5.9134 5.9134 7.4099 7.4099 7.4294 7.4294 7.7490 7.7490 12.7792 12.7792 13.2937 13.2937 13.5035 13.5035 13.7195 13.7195 k = 0.5757-0.0055-0.1789 ( 2250 PWs) bands (ev): -38.8732 -38.8732 -21.1752 -21.1752 -17.8727 -17.8727 -17.3752 -17.3752 -17.1822 -17.1822 -8.2923 -8.2923 -7.2013 -7.2013 -4.4352 -4.4352 -4.2088 -4.2088 -4.0687 -4.0687 5.5011 5.5011 5.5112 5.5112 5.9011 5.9011 7.3815 7.3815 7.4736 7.4736 7.7632 7.7632 12.7704 12.7704 13.2970 13.2970 13.4685 13.4685 13.7039 13.7039 k = 0.5707 0.0035-0.1617 ( 2252 PWs) bands (ev): -38.8745 -38.8745 -21.1801 -21.1801 -17.8724 -17.8724 -17.3695 -17.3695 -17.1762 -17.1762 -8.3148 -8.3148 -7.1898 -7.1898 -4.4267 -4.4267 -4.1959 -4.1959 -4.0600 -4.0600 5.4941 5.4941 5.5316 5.5316 5.8892 5.8892 7.3443 7.3443 7.5218 7.5218 7.7789 7.7789 12.7624 12.7624 13.2968 13.2968 13.4347 13.4347 13.6907 13.6907 k = 0.5656 0.0126-0.1446 ( 2252 PWs) bands (ev): -38.8756 -38.8756 -21.1847 -21.1847 -17.8722 -17.8722 -17.3643 -17.3643 -17.1703 -17.1703 -8.3360 -8.3360 -7.1789 -7.1789 -4.4198 -4.4198 -4.1828 -4.1828 -4.0514 -4.0514 5.4855 5.4855 5.5549 5.5549 5.8778 5.8778 7.3042 7.3042 7.5690 7.5690 7.7953 7.7953 12.7553 12.7553 13.2933 13.2933 13.4024 13.4024 13.6800 13.6800 k = 0.5606 0.0216-0.1274 ( 2254 PWs) bands (ev): -38.8767 -38.8767 -21.1890 -21.1890 -17.8721 -17.8721 -17.3594 -17.3594 -17.1646 -17.1646 -8.3560 -8.3560 -7.1686 -7.1686 -4.4144 -4.4144 -4.1701 -4.1701 -4.0428 -4.0428 5.4771 5.4771 5.5792 5.5792 5.8671 5.8671 7.2625 7.2625 7.6146 7.6146 7.8117 7.8117 12.7489 12.7489 13.2869 13.2869 13.3717 13.3717 13.6716 13.6716 k = 0.5555 0.0306-0.1103 ( 2254 PWs) bands (ev): -38.8777 -38.8777 -21.1930 -21.1930 -17.8721 -17.8721 -17.3549 -17.3549 -17.1592 -17.1592 -8.3746 -8.3746 -7.1589 -7.1589 -4.4101 -4.4101 -4.1580 -4.1580 -4.0342 -4.0342 5.4691 5.4691 5.6041 5.6041 5.8571 5.8571 7.2201 7.2201 7.6581 7.6581 7.8277 7.8277 12.7433 12.7433 13.2780 13.2780 13.3428 13.3428 13.6653 13.6653 k = 0.5505 0.0397-0.0931 ( 2252 PWs) bands (ev): -38.8787 -38.8787 -21.1967 -21.1967 -17.8722 -17.8722 -17.3508 -17.3508 -17.1540 -17.1540 -8.3918 -8.3918 -7.1500 -7.1500 -4.4068 -4.4068 -4.1468 -4.1468 -4.0257 -4.0257 5.4616 5.4616 5.6294 5.6294 5.8477 5.8477 7.1777 7.1777 7.6992 7.6992 7.8429 7.8429 12.7383 12.7383 13.2672 13.2672 13.3158 13.3158 13.6608 13.6608 k = 0.5454 0.0487-0.0759 ( 2252 PWs) bands (ev): -38.8795 -38.8795 -21.2001 -21.2001 -17.8723 -17.8723 -17.3471 -17.3471 -17.1491 -17.1491 -8.4076 -8.4076 -7.1418 -7.1418 -4.4042 -4.4042 -4.1365 -4.1365 -4.0173 -4.0173 5.4547 5.4547 5.6547 5.6547 5.8392 5.8392 7.1360 7.1360 7.7376 7.7376 7.8572 7.8572 12.7339 12.7339 13.2552 13.2552 13.2909 13.2909 13.6577 13.6577 k = 0.5404 0.0578-0.0588 ( 2248 PWs) bands (ev): -38.8803 -38.8803 -21.2032 -21.2032 -17.8724 -17.8724 -17.3438 -17.3438 -17.1446 -17.1446 -8.4218 -8.4218 -7.1343 -7.1343 -4.4022 -4.4022 -4.1274 -4.1274 -4.0093 -4.0093 5.4484 5.4484 5.6796 5.6796 5.8314 5.8314 7.0957 7.0957 7.7728 7.7728 7.8704 7.8704 12.7301 12.7301 13.2427 13.2427 13.2682 13.2682 13.6556 13.6556 k = 0.5353 0.0668-0.0416 ( 2248 PWs) bands (ev): -38.8810 -38.8810 -21.2059 -21.2059 -17.8726 -17.8726 -17.3409 -17.3409 -17.1404 -17.1404 -8.4345 -8.4345 -7.1277 -7.1277 -4.4007 -4.4007 -4.1195 -4.1195 -4.0016 -4.0016 5.4427 5.4427 5.7035 5.7035 5.8245 5.8245 7.0576 7.0576 7.8044 7.8044 7.8826 7.8826 12.7268 12.7268 13.2301 13.2301 13.2479 13.2479 13.6544 13.6544 k = 0.5303 0.0758-0.0245 ( 2246 PWs) bands (ev): -38.8816 -38.8816 -21.2082 -21.2082 -17.8727 -17.8727 -17.3384 -17.3384 -17.1368 -17.1368 -8.4455 -8.4455 -7.1219 -7.1219 -4.3996 -4.3996 -4.1128 -4.1128 -3.9946 -3.9946 5.4377 5.4377 5.7261 5.7261 5.8185 5.8185 7.0223 7.0223 7.8322 7.8322 7.8936 7.8936 12.7240 12.7240 13.2181 13.2181 13.2300 13.2300 13.6537 13.6537 k = 0.5252 0.0849-0.0073 ( 2244 PWs) bands (ev): -38.8821 -38.8821 -21.2102 -21.2102 -17.8729 -17.8729 -17.3363 -17.3363 -17.1336 -17.1336 -8.4550 -8.4550 -7.1169 -7.1169 -4.3988 -4.3988 -4.1072 -4.1072 -3.9883 -3.9883 5.4334 5.4334 5.7466 5.7466 5.8134 5.8134 6.9907 6.9907 7.8556 7.8556 7.9035 7.9035 12.7217 12.7217 13.2072 13.2072 13.2148 13.2148 13.6533 13.6533 k = 0.5202 0.0939 0.0099 ( 2242 PWs) bands (ev): -38.8825 -38.8825 -21.2119 -21.2119 -17.8730 -17.8730 -17.3346 -17.3346 -17.1309 -17.1309 -8.4627 -8.4627 -7.1129 -7.1129 -4.3982 -4.3982 -4.1028 -4.1028 -3.9830 -3.9830 5.4299 5.4299 5.7643 5.7643 5.8095 5.8095 6.9634 6.9634 7.8743 7.8743 7.9126 7.9126 12.7198 12.7198 13.1977 13.1977 13.2022 13.2022 13.6532 13.6532 k = 0.5151 0.1030 0.0270 ( 2232 PWs) bands (ev): -38.8828 -38.8828 -21.2132 -21.2132 -17.8731 -17.8731 -17.3332 -17.3332 -17.1288 -17.1288 -8.4688 -8.4688 -7.1097 -7.1097 -4.3977 -4.3977 -4.0993 -4.0993 -3.9786 -3.9786 5.4271 5.4271 5.7786 5.7786 5.8069 5.8069 6.9413 6.9413 7.8880 7.8880 7.9207 7.9207 12.7184 12.7184 13.1900 13.1900 13.1924 13.1924 13.6532 13.6532 k = 0.5101 0.1120 0.0442 ( 2228 PWs) bands (ev): -38.8830 -38.8830 -21.2141 -21.2141 -17.8732 -17.8732 -17.3323 -17.3323 -17.1273 -17.1273 -8.4731 -8.4731 -7.1074 -7.1074 -4.3975 -4.3975 -4.0969 -4.0969 -3.9755 -3.9755 5.4252 5.4252 5.7883 5.7883 5.8060 5.8060 6.9249 6.9249 7.8971 7.8971 7.9273 7.9273 12.7174 12.7174 13.1842 13.1842 13.1854 13.1854 13.6532 13.6532 k = 0.5050 0.1211 0.0613 ( 2226 PWs) bands (ev): -38.8832 -38.8832 -21.2146 -21.2146 -17.8732 -17.8732 -17.3317 -17.3317 -17.1264 -17.1264 -8.4757 -8.4757 -7.1060 -7.1060 -4.3973 -4.3973 -4.0955 -4.0955 -3.9735 -3.9735 5.4240 5.4240 5.7929 5.7929 5.8069 5.8069 6.9148 6.9148 7.9021 7.9021 7.9318 7.9318 12.7168 12.7168 13.1807 13.1807 13.1812 13.1812 13.6533 13.6533 k = 0.5000 0.1301 0.0785 ( 2228 PWs) bands (ev): -38.8832 -38.8832 -21.2148 -21.2148 -17.8733 -17.8733 -17.3315 -17.3315 -17.1261 -17.1261 -8.4766 -8.4766 -7.1055 -7.1055 -4.3973 -4.3973 -4.0950 -4.0950 -3.9729 -3.9729 5.4236 5.4236 5.7939 5.7939 5.8077 5.8077 6.9114 6.9114 7.9037 7.9037 7.9334 7.9334 12.7166 12.7166 13.1794 13.1794 13.1799 13.1799 13.6533 13.6533 k = 0.5000 0.1301 0.0785 ( 2228 PWs) bands (ev): -38.8832 -38.8832 -21.2148 -21.2148 -17.8733 -17.8733 -17.3315 -17.3315 -17.1261 -17.1261 -8.4766 -8.4766 -7.1055 -7.1055 -4.3973 -4.3973 -4.0950 -4.0950 -3.9729 -3.9729 5.4236 5.4236 5.7939 5.7939 5.8077 5.8077 6.9114 6.9114 7.9037 7.9037 7.9334 7.9334 12.7166 12.7166 13.1794 13.1794 13.1799 13.1799 13.6533 13.6533 k = 0.4808 0.1251 0.0755 ( 2222 PWs) bands (ev): -38.8832 -38.8832 -21.2148 -21.2148 -17.8733 -17.8733 -17.3315 -17.3315 -17.1260 -17.1260 -8.4761 -8.4761 -7.1064 -7.1064 -4.3969 -4.3969 -4.0949 -4.0949 -3.9729 -3.9729 5.4212 5.4212 5.7939 5.7939 5.8077 5.8077 6.9147 6.9147 7.9040 7.9040 7.9336 7.9336 12.7150 12.7150 13.1792 13.1792 13.1797 13.1797 13.6529 13.6529 k = 0.4615 0.1201 0.0725 ( 2225 PWs) bands (ev): -38.8832 -38.8832 -21.2148 -21.2148 -17.8733 -17.8733 -17.3315 -17.3315 -17.1261 -17.1261 -8.4745 -8.4745 -7.1089 -7.1089 -4.3959 -4.3959 -4.0946 -4.0946 -3.9729 -3.9729 5.4140 5.4140 5.7935 5.7935 5.8073 5.8073 6.9246 6.9246 7.9047 7.9047 7.9343 7.9343 12.7103 12.7103 13.1786 13.1786 13.1791 13.1791 13.6517 13.6517 k = 0.4423 0.1151 0.0694 ( 2231 PWs) bands (ev): -38.8832 -38.8832 -21.2148 -21.2148 -17.8734 -17.8734 -17.3316 -17.3316 -17.1261 -17.1261 -8.4719 -8.4719 -7.1131 -7.1131 -4.3941 -4.3941 -4.0942 -4.0942 -3.9729 -3.9729 5.4023 5.4023 5.7928 5.7928 5.8066 5.8066 6.9407 6.9407 7.9058 7.9058 7.9355 7.9355 12.7026 12.7026 13.1777 13.1777 13.1782 13.1782 13.6496 13.6496 k = 0.4231 0.1101 0.0664 ( 2246 PWs) bands (ev): -38.8832 -38.8832 -21.2147 -21.2147 -17.8736 -17.8736 -17.3317 -17.3317 -17.1262 -17.1262 -8.4683 -8.4683 -7.1190 -7.1190 -4.3918 -4.3918 -4.0936 -4.0936 -3.9729 -3.9729 5.3867 5.3867 5.7919 5.7919 5.8057 5.8057 6.9626 6.9626 7.9074 7.9074 7.9371 7.9371 12.6919 12.6919 13.1763 13.1763 13.1768 13.1768 13.6469 13.6469 k = 0.4038 0.1051 0.0634 ( 2246 PWs) bands (ev): -38.8832 -38.8832 -21.2147 -21.2147 -17.8737 -17.8737 -17.3317 -17.3317 -17.1262 -17.1262 -8.4638 -8.4638 -7.1263 -7.1263 -4.3889 -4.3889 -4.0928 -4.0928 -3.9729 -3.9729 5.3675 5.3675 5.7909 5.7909 5.8047 5.8047 6.9896 6.9896 7.9094 7.9094 7.9391 7.9391 12.6782 12.6782 13.1747 13.1747 13.1752 13.1752 13.6435 13.6435 k = 0.3846 0.1001 0.0604 ( 2243 PWs) bands (ev): -38.8832 -38.8832 -21.2146 -21.2146 -17.8739 -17.8739 -17.3318 -17.3318 -17.1262 -17.1262 -8.4583 -8.4583 -7.1351 -7.1351 -4.3854 -4.3854 -4.0918 -4.0918 -3.9729 -3.9729 5.3453 5.3453 5.7897 5.7897 5.8035 5.8035 7.0213 7.0213 7.9118 7.9118 7.9415 7.9415 12.6617 12.6617 13.1727 13.1727 13.1732 13.1732 13.6396 13.6396 k = 0.3654 0.0951 0.0574 ( 2243 PWs) bands (ev): -38.8832 -38.8832 -21.2145 -21.2145 -17.8741 -17.8741 -17.3318 -17.3318 -17.1262 -17.1262 -8.4519 -8.4519 -7.1453 -7.1453 -4.3814 -4.3814 -4.0907 -4.0907 -3.9729 -3.9729 5.3208 5.3208 5.7883 5.7883 5.8021 5.8021 7.0567 7.0567 7.9145 7.9145 7.9443 7.9443 12.6426 12.6426 13.1705 13.1705 13.1710 13.1710 13.6352 13.6352 k = 0.3462 0.0901 0.0543 ( 2249 PWs) bands (ev): -38.8832 -38.8832 -21.2144 -21.2144 -17.8743 -17.8743 -17.3319 -17.3319 -17.1262 -17.1262 -8.4447 -8.4447 -7.1567 -7.1567 -4.3771 -4.3771 -4.0894 -4.0894 -3.9729 -3.9729 5.2944 5.2944 5.7868 5.7868 5.8006 5.8006 7.0953 7.0953 7.9176 7.9176 7.9473 7.9473 12.6210 12.6210 13.1680 13.1680 13.1685 13.1685 13.6304 13.6304 k = 0.3269 0.0851 0.0513 ( 2243 PWs) bands (ev): -38.8832 -38.8832 -21.2143 -21.2143 -17.8745 -17.8745 -17.3320 -17.3320 -17.1261 -17.1261 -8.4367 -8.4367 -7.1691 -7.1691 -4.3724 -4.3724 -4.0879 -4.0879 -3.9728 -3.9728 5.2669 5.2669 5.7852 5.7852 5.7990 5.7990 7.1363 7.1363 7.9209 7.9209 7.9507 7.9507 12.5971 12.5971 13.1653 13.1653 13.1658 13.1658 13.6254 13.6254 k = 0.3077 0.0801 0.0483 ( 2249 PWs) bands (ev): -38.8832 -38.8832 -21.2142 -21.2142 -17.8748 -17.8748 -17.3321 -17.3321 -17.1262 -17.1262 -8.4281 -8.4281 -7.1826 -7.1826 -4.3675 -4.3675 -4.0863 -4.0863 -3.9728 -3.9728 5.2386 5.2386 5.7834 5.7834 5.7972 5.7972 7.1791 7.1791 7.9244 7.9244 7.9542 7.9542 12.5713 12.5713 13.1625 13.1625 13.1629 13.1629 13.6203 13.6203 k = 0.2885 0.0751 0.0453 ( 2240 PWs) bands (ev): -38.8832 -38.8832 -21.2141 -21.2141 -17.8750 -17.8750 -17.3322 -17.3322 -17.1261 -17.1261 -8.4189 -8.4189 -7.1967 -7.1967 -4.3625 -4.3625 -4.0846 -4.0846 -3.9728 -3.9728 5.2103 5.2103 5.7816 5.7816 5.7955 5.7955 7.2229 7.2229 7.9281 7.9281 7.9579 7.9579 12.5439 12.5439 13.1595 13.1595 13.1599 13.1599 13.6151 13.6151 k = 0.2692 0.0701 0.0423 ( 2243 PWs) bands (ev): -38.8832 -38.8832 -21.2139 -21.2139 -17.8752 -17.8752 -17.3323 -17.3323 -17.1261 -17.1261 -8.4092 -8.4092 -7.2115 -7.2115 -4.3574 -4.3574 -4.0827 -4.0827 -3.9728 -3.9728 5.1819 5.1819 5.7798 5.7798 5.7936 5.7936 7.2673 7.2673 7.9319 7.9319 7.9618 7.9618 12.5151 12.5151 13.1564 13.1564 13.1568 13.1568 13.6100 13.6100 k = 0.2500 0.0650 0.0393 ( 2243 PWs) bands (ev): -38.8832 -38.8832 -21.2138 -21.2138 -17.8755 -17.8755 -17.3323 -17.3323 -17.1261 -17.1261 -8.3991 -8.3991 -7.2267 -7.2267 -4.3523 -4.3523 -4.0808 -4.0808 -3.9728 -3.9728 5.1543 5.1543 5.7779 5.7779 5.7917 5.7917 7.3115 7.3115 7.9357 7.9357 7.9656 7.9656 12.4855 12.4855 13.1533 13.1533 13.1537 13.1537 13.6051 13.6051 k = 0.2308 0.0600 0.0362 ( 2243 PWs) bands (ev): -38.8832 -38.8832 -21.2137 -21.2137 -17.8758 -17.8758 -17.3324 -17.3324 -17.1261 -17.1261 -8.3888 -8.3888 -7.2421 -7.2421 -4.3473 -4.3473 -4.0788 -4.0788 -3.9728 -3.9728 5.1275 5.1275 5.7760 5.7760 5.7898 5.7898 7.3551 7.3551 7.9396 7.9396 7.9695 7.9695 12.4555 12.4555 13.1502 13.1502 13.1506 13.1506 13.6004 13.6004 k = 0.2115 0.0550 0.0332 ( 2237 PWs) bands (ev): -38.8832 -38.8832 -21.2136 -21.2136 -17.8760 -17.8760 -17.3325 -17.3325 -17.1261 -17.1261 -8.3784 -8.3784 -7.2574 -7.2574 -4.3425 -4.3425 -4.0768 -4.0768 -3.9727 -3.9727 5.1020 5.1020 5.7742 5.7742 5.7880 5.7880 7.3974 7.3974 7.9434 7.9434 7.9733 7.9733 12.4254 12.4254 13.1472 13.1472 13.1475 13.1475 13.5959 13.5959 k = 0.1923 0.0500 0.0302 ( 2231 PWs) bands (ev): -38.8832 -38.8832 -21.2134 -21.2134 -17.8762 -17.8762 -17.3326 -17.3326 -17.1261 -17.1261 -8.3681 -8.3681 -7.2726 -7.2726 -4.3379 -4.3379 -4.0748 -4.0748 -3.9727 -3.9727 5.0780 5.0780 5.7725 5.7725 5.7863 5.7863 7.4381 7.4381 7.9471 7.9471 7.9770 7.9770 12.3959 12.3959 13.1442 13.1442 13.1446 13.1446 13.5918 13.5918 k = 0.1731 0.0450 0.0272 ( 2231 PWs) bands (ev): -38.8832 -38.8832 -21.2133 -21.2133 -17.8765 -17.8765 -17.3327 -17.3327 -17.1261 -17.1261 -8.3580 -8.3580 -7.2872 -7.2872 -4.3336 -4.3336 -4.0728 -4.0728 -3.9727 -3.9727 5.0556 5.0556 5.7708 5.7708 5.7846 5.7846 7.4765 7.4765 7.9506 7.9506 7.9806 7.9806 12.3673 12.3673 13.1414 13.1414 13.1417 13.1417 13.5881 13.5881 k = 0.1538 0.0400 0.0242 ( 2231 PWs) bands (ev): -38.8832 -38.8832 -21.2132 -21.2132 -17.8767 -17.8767 -17.3327 -17.3327 -17.1261 -17.1261 -8.3483 -8.3483 -7.3012 -7.3012 -4.3296 -4.3296 -4.0708 -4.0708 -3.9727 -3.9727 5.0351 5.0351 5.7692 5.7692 5.7830 5.7830 7.5123 7.5123 7.9539 7.9539 7.9839 7.9839 12.3401 12.3401 13.1388 13.1388 13.1391 13.1391 13.5847 13.5847 k = 0.1346 0.0350 0.0211 ( 2237 PWs) bands (ev): -38.8832 -38.8832 -21.2131 -21.2131 -17.8770 -17.8770 -17.3328 -17.3328 -17.1261 -17.1261 -8.3391 -8.3391 -7.3142 -7.3142 -4.3261 -4.3261 -4.0691 -4.0691 -3.9727 -3.9727 5.0166 5.0166 5.7677 5.7677 5.7815 5.7815 7.5450 7.5450 7.9570 7.9570 7.9869 7.9869 12.3149 12.3149 13.1364 13.1364 13.1367 13.1367 13.5818 13.5818 k = 0.1154 0.0300 0.0181 ( 2241 PWs) bands (ev): -38.8832 -38.8832 -21.2131 -21.2131 -17.8772 -17.8772 -17.3329 -17.3329 -17.1261 -17.1261 -8.3307 -8.3307 -7.3261 -7.3261 -4.3229 -4.3229 -4.0674 -4.0674 -3.9727 -3.9727 5.0002 5.0002 5.7664 5.7664 5.7801 5.7801 7.5743 7.5743 7.9598 7.9598 7.9896 7.9896 12.2920 12.2920 13.1342 13.1342 13.1345 13.1345 13.5792 13.5792 k = 0.0962 0.0250 0.0151 ( 2247 PWs) bands (ev): -38.8832 -38.8832 -21.2130 -21.2130 -17.8774 -17.8774 -17.3330 -17.3330 -17.1261 -17.1261 -8.3232 -8.3232 -7.3366 -7.3366 -4.3203 -4.3203 -4.0659 -4.0659 -3.9727 -3.9727 4.9861 4.9861 5.7653 5.7653 5.7790 5.7790 7.5997 7.5997 7.9622 7.9622 7.9920 7.9920 12.2718 12.2718 13.1323 13.1323 13.1326 13.1326 13.5770 13.5770 k = 0.0769 0.0200 0.0121 ( 2250 PWs) bands (ev): -38.8832 -38.8832 -21.2129 -21.2129 -17.8775 -17.8775 -17.3331 -17.3331 -17.1261 -17.1261 -8.3169 -8.3169 -7.3455 -7.3455 -4.3180 -4.3180 -4.0647 -4.0647 -3.9727 -3.9727 4.9746 4.9746 5.7643 5.7643 5.7780 5.7780 7.6209 7.6209 7.9642 7.9642 7.9940 7.9940 12.2548 12.2548 13.1307 13.1307 13.1310 13.1310 13.5752 13.5752 k = 0.0577 0.0150 0.0091 ( 2250 PWs) bands (ev): -38.8832 -38.8832 -21.2129 -21.2129 -17.8776 -17.8776 -17.3331 -17.3331 -17.1261 -17.1261 -8.3117 -8.3117 -7.3527 -7.3527 -4.3163 -4.3163 -4.0637 -4.0637 -3.9727 -3.9727 4.9655 4.9655 5.7635 5.7635 5.7773 5.7773 7.6377 7.6377 7.9658 7.9658 7.9956 7.9956 12.2412 12.2412 13.1295 13.1295 13.1298 13.1298 13.5739 13.5739 k = 0.0385 0.0100 0.0060 ( 2250 PWs) bands (ev): -38.8832 -38.8832 -21.2128 -21.2128 -17.8777 -17.8777 -17.3331 -17.3331 -17.1261 -17.1261 -8.3079 -8.3079 -7.3579 -7.3579 -4.3150 -4.3150 -4.0629 -4.0629 -3.9726 -3.9726 4.9590 4.9590 5.7630 5.7630 5.7767 5.7767 7.6499 7.6499 7.9670 7.9670 7.9967 7.9967 12.2313 12.2313 13.1286 13.1286 13.1288 13.1288 13.5729 13.5729 k = 0.0192 0.0050 0.0030 ( 2253 PWs) bands (ev): -38.8832 -38.8832 -21.2128 -21.2128 -17.8778 -17.8778 -17.3331 -17.3331 -17.1262 -17.1262 -8.3056 -8.3056 -7.3611 -7.3611 -4.3143 -4.3143 -4.0625 -4.0625 -3.9726 -3.9726 4.9551 4.9551 5.7627 5.7627 5.7764 5.7764 7.6572 7.6572 7.9677 7.9677 7.9974 7.9974 12.2253 12.2253 13.1280 13.1280 13.1283 13.1283 13.5723 13.5723 k = 0.0000 0.0000 0.0000 ( 2253 PWs) bands (ev): -38.8832 -38.8832 -21.2128 -21.2128 -17.8778 -17.8778 -17.3331 -17.3331 -17.1262 -17.1262 -8.3049 -8.3049 -7.3621 -7.3621 -4.3140 -4.3140 -4.0623 -4.0623 -3.9726 -3.9726 4.9537 4.9537 5.7626 5.7626 5.7763 5.7763 7.6597 7.6597 7.9679 7.9679 7.9977 7.9977 12.2233 12.2233 13.1279 13.1279 13.1281 13.1281 13.5721 13.5721 k = 0.0000 0.0000 0.0000 ( 2253 PWs) bands (ev): -38.8832 -38.8832 -21.2128 -21.2128 -17.8778 -17.8778 -17.3331 -17.3331 -17.1262 -17.1262 -8.3049 -8.3049 -7.3621 -7.3621 -4.3140 -4.3140 -4.0623 -4.0623 -3.9726 -3.9726 4.9537 4.9537 5.7626 5.7626 5.7763 5.7763 7.6597 7.6597 7.9679 7.9679 7.9977 7.9977 12.2233 12.2233 13.1279 13.1279 13.1281 13.1281 13.5721 13.5721 k = 0.0051-0.0091-0.0173 ( 2253 PWs) bands (ev): -38.8832 -38.8832 -21.2126 -21.2126 -17.8778 -17.8778 -17.3333 -17.3333 -17.1265 -17.1265 -8.3041 -8.3041 -7.3623 -7.3623 -4.3144 -4.3144 -4.0628 -4.0628 -3.9733 -3.9733 4.9549 4.9549 5.7626 5.7626 5.7763 5.7763 7.6602 7.6602 7.9657 7.9657 7.9955 7.9955 12.2262 12.2262 13.1279 13.1279 13.1293 13.1293 13.5731 13.5731 k = 0.0102-0.0182-0.0346 ( 2253 PWs) bands (ev): -38.8830 -38.8830 -21.2121 -21.2121 -17.8777 -17.8777 -17.3339 -17.3339 -17.1274 -17.1274 -8.3017 -8.3017 -7.3628 -7.3628 -4.3154 -4.3154 -4.0642 -4.0642 -3.9754 -3.9754 4.9585 4.9585 5.7625 5.7625 5.7768 5.7768 7.6619 7.6619 7.9586 7.9586 7.9897 7.9897 12.2349 12.2349 13.1278 13.1278 13.1333 13.1333 13.5760 13.5760 k = 0.0153-0.0274-0.0519 ( 2253 PWs) bands (ev): -38.8828 -38.8828 -21.2111 -21.2111 -17.8776 -17.8776 -17.3349 -17.3349 -17.1289 -17.1289 -8.2978 -8.2978 -7.3637 -7.3637 -4.3171 -4.3171 -4.0666 -4.0666 -3.9787 -3.9787 4.9644 4.9644 5.7618 5.7618 5.7781 5.7781 7.6646 7.6646 7.9452 7.9452 7.9816 7.9816 12.2493 12.2493 13.1277 13.1277 13.1398 13.1398 13.5809 13.5809 k = 0.0204-0.0365-0.0692 ( 2251 PWs) bands (ev): -38.8825 -38.8825 -21.2098 -21.2098 -17.8774 -17.8774 -17.3362 -17.3362 -17.1310 -17.1310 -8.2924 -8.2924 -7.3649 -7.3649 -4.3195 -4.3195 -4.0700 -4.0700 -3.9833 -3.9833 4.9726 4.9726 5.7599 5.7599 5.7808 5.7808 7.6684 7.6684 7.9247 7.9247 7.9723 7.9723 12.2694 12.2694 13.1275 13.1275 13.1487 13.1487 13.5876 13.5876 k = 0.0254-0.0456-0.0865 ( 2255 PWs) bands (ev): -38.8820 -38.8820 -21.2082 -21.2082 -17.8772 -17.8772 -17.3380 -17.3380 -17.1337 -17.1337 -8.2854 -8.2854 -7.3665 -7.3665 -4.3227 -4.3227 -4.0745 -4.0745 -3.9888 -3.9888 4.9830 4.9830 5.7568 5.7568 5.7849 5.7849 7.6731 7.6731 7.8973 7.8973 7.9620 7.9620 12.2948 12.2948 13.1273 13.1273 13.1598 13.1598 13.5962 13.5962 k = 0.0305-0.0547-0.1038 ( 2253 PWs) bands (ev): -38.8815 -38.8815 -21.2061 -21.2061 -17.8770 -17.8770 -17.3401 -17.3401 -17.1369 -17.1369 -8.2769 -8.2769 -7.3684 -7.3684 -4.3267 -4.3267 -4.0801 -4.0801 -3.9952 -3.9952 4.9958 4.9958 5.7528 5.7528 5.7904 5.7904 7.6785 7.6785 7.8635 7.8635 7.9505 7.9505 12.3256 12.3256 13.1271 13.1271 13.1730 13.1730 13.6066 13.6066 k = 0.0356-0.0638-0.1212 ( 2255 PWs) bands (ev): -38.8809 -38.8809 -21.2038 -21.2038 -17.8767 -17.8767 -17.3426 -17.3426 -17.1406 -17.1406 -8.2670 -8.2670 -7.3706 -7.3706 -4.3316 -4.3316 -4.0870 -4.0870 -4.0023 -4.0023 5.0107 5.0107 5.7479 5.7479 5.7970 5.7970 7.6846 7.6846 7.8241 7.8241 7.9375 7.9375 12.3613 12.3613 13.1271 13.1271 13.1878 13.1878 13.6186 13.6186 k = 0.0407-0.0730-0.1385 ( 2255 PWs) bands (ev): -38.8802 -38.8802 -21.2010 -21.2010 -17.8765 -17.8765 -17.3455 -17.3455 -17.1448 -17.1448 -8.2557 -8.2557 -7.3732 -7.3732 -4.3373 -4.3373 -4.0952 -4.0952 -4.0098 -4.0098 5.0277 5.0277 5.7424 5.7424 5.8048 5.8048 7.6909 7.6909 7.7799 7.7799 7.9229 7.9229 12.4018 12.4018 13.1273 13.1273 13.2042 13.2042 13.6322 13.6322 k = 0.0458-0.0821-0.1558 ( 2255 PWs) bands (ev): -38.8794 -38.8794 -21.1980 -21.1980 -17.8763 -17.8763 -17.3489 -17.3489 -17.1494 -17.1494 -8.2430 -8.2430 -7.3760 -7.3760 -4.3441 -4.3441 -4.1047 -4.1047 -4.0175 -4.0175 5.0468 5.0468 5.7363 5.7363 5.8136 5.8136 7.6955 7.6955 7.7331 7.7331 7.9069 7.9069 12.4468 12.4468 13.1277 13.1277 13.2217 13.2217 13.6473 13.6473 k = 0.0509-0.0912-0.1731 ( 2253 PWs) bands (ev): -38.8786 -38.8786 -21.1946 -21.1946 -17.8760 -17.8760 -17.3526 -17.3526 -17.1543 -17.1543 -8.2290 -8.2290 -7.3792 -7.3792 -4.3520 -4.3520 -4.1154 -4.1154 -4.0254 -4.0254 5.0679 5.0679 5.7297 5.7297 5.8233 5.8233 7.6712 7.6712 7.7114 7.7114 7.8893 7.8893 12.4960 12.4960 13.1284 13.1284 13.2402 13.2402 13.6637 13.6637 k = 0.0560-0.1003-0.1904 ( 2251 PWs) bands (ev): -38.8776 -38.8776 -21.1909 -21.1909 -17.8759 -17.8759 -17.3568 -17.3568 -17.1596 -17.1596 -8.2137 -8.2137 -7.3827 -7.3827 -4.3611 -4.3611 -4.1271 -4.1271 -4.0332 -4.0332 5.0909 5.0909 5.7228 5.7228 5.8338 5.8338 7.6166 7.6166 7.7163 7.7163 7.8705 7.8705 12.5491 12.5491 13.1296 13.1296 13.2593 13.2593 13.6812 13.6812 k = 0.0611-0.1094-0.2077 ( 2255 PWs) bands (ev): -38.8766 -38.8766 -21.1868 -21.1868 -17.8758 -17.8758 -17.3613 -17.3613 -17.1651 -17.1651 -8.1972 -8.1972 -7.3865 -7.3865 -4.3716 -4.3716 -4.1398 -4.1398 -4.0410 -4.0410 5.1155 5.1155 5.7156 5.7156 5.8451 5.8451 7.5569 7.5569 7.7226 7.7226 7.8507 7.8507 12.6058 12.6058 13.1312 13.1312 13.2789 13.2789 13.6998 13.6998 k = 0.0662-0.1185-0.2250 ( 2255 PWs) bands (ev): -38.8755 -38.8755 -21.1825 -21.1825 -17.8757 -17.8757 -17.3663 -17.3663 -17.1709 -17.1709 -8.1796 -8.1796 -7.3906 -7.3906 -4.3835 -4.3835 -4.1530 -4.1530 -4.0488 -4.0488 5.1419 5.1419 5.7082 5.7082 5.8571 5.8571 7.4944 7.4944 7.7280 7.7280 7.8306 7.8306 12.6658 12.6658 13.1333 13.1333 13.2988 13.2988 13.7192 13.7192 k = 0.0713-0.1277-0.2423 ( 2255 PWs) bands (ev): -38.8743 -38.8743 -21.1779 -21.1779 -17.8758 -17.8758 -17.3716 -17.3716 -17.1768 -17.1768 -8.1610 -8.1610 -7.3949 -7.3949 -4.3970 -4.3970 -4.1665 -4.1665 -4.0566 -4.0566 5.1699 5.1699 5.7008 5.7008 5.8697 5.8697 7.4296 7.4296 7.7307 7.7307 7.8116 7.8116 12.7285 12.7285 13.1361 13.1361 13.3188 13.3188 13.7393 13.7393 k = 0.0763-0.1368-0.2596 ( 2259 PWs) bands (ev): -38.8731 -38.8731 -21.1730 -21.1730 -17.8760 -17.8760 -17.3773 -17.3773 -17.1829 -17.1829 -8.1413 -8.1413 -7.3995 -7.3995 -4.4123 -4.4123 -4.1800 -4.1800 -4.0645 -4.0645 5.1992 5.1992 5.6933 5.6933 5.8827 5.8827 7.3632 7.3632 7.7277 7.7277 7.7967 7.7967 12.7936 12.7936 13.1395 13.1395 13.3390 13.3390 13.7600 13.7600 k = 0.0814-0.1459-0.2769 ( 2255 PWs) bands (ev): -38.8718 -38.8718 -21.1678 -21.1678 -17.8763 -17.8763 -17.3834 -17.3834 -17.1890 -17.1890 -8.1208 -8.1208 -7.4044 -7.4044 -4.4293 -4.4293 -4.1933 -4.1933 -4.0724 -4.0724 5.2299 5.2299 5.6861 5.6861 5.8962 5.8962 7.2956 7.2956 7.7154 7.7154 7.7893 7.7893 12.8605 12.8605 13.1438 13.1438 13.3593 13.3593 13.7812 13.7812 k = 0.0865-0.1550-0.2942 ( 2259 PWs) bands (ev): -38.8704 -38.8704 -21.1624 -21.1624 -17.8769 -17.8769 -17.3897 -17.3897 -17.1952 -17.1952 -8.0994 -8.0994 -7.4094 -7.4094 -4.4481 -4.4481 -4.2062 -4.2062 -4.0804 -4.0804 5.2618 5.2618 5.6789 5.6789 5.9098 5.9098 7.2275 7.2275 7.6946 7.6946 7.7887 7.7887 12.9284 12.9284 13.1488 13.1488 13.3800 13.3800 13.8029 13.8029 k = 0.0916-0.1641-0.3115 ( 2259 PWs) bands (ev): -38.8690 -38.8690 -21.1567 -21.1567 -17.8776 -17.8776 -17.3963 -17.3963 -17.2014 -17.2014 -8.0772 -8.0772 -7.4146 -7.4146 -4.4686 -4.4686 -4.2186 -4.2186 -4.0884 -4.0884 5.2946 5.2946 5.6721 5.6721 5.9234 5.9234 7.1592 7.1592 7.6686 7.6686 7.7914 7.7914 12.9964 12.9964 13.1546 13.1546 13.4017 13.4017 13.8249 13.8249 k = 0.0967-0.1733-0.3288 ( 2261 PWs) bands (ev): -38.8675 -38.8675 -21.1509 -21.1509 -17.8785 -17.8785 -17.4031 -17.4031 -17.2077 -17.2077 -8.0544 -8.0544 -7.4201 -7.4201 -4.4906 -4.4906 -4.2304 -4.2304 -4.0967 -4.0967 5.3282 5.3282 5.6655 5.6655 5.9369 5.9369 7.0914 7.0914 7.6396 7.6396 7.7952 7.7952 13.0629 13.0629 13.1614 13.1614 13.4253 13.4253 13.8474 13.8474 k = 0.1018-0.1824-0.3461 ( 2259 PWs) bands (ev): -38.8660 -38.8660 -21.1448 -21.1448 -17.8797 -17.8797 -17.4100 -17.4100 -17.2139 -17.2139 -8.0310 -8.0310 -7.4257 -7.4257 -4.5141 -4.5141 -4.2417 -4.2417 -4.1050 -4.1050 5.3625 5.3625 5.6593 5.6593 5.9500 5.9500 7.0246 7.0246 7.6086 7.6086 7.7992 7.7992 13.1258 13.1258 13.1691 13.1691 13.4524 13.4524 13.8703 13.8703 k = 0.1069-0.1915-0.3635 ( 2261 PWs) bands (ev): -38.8644 -38.8644 -21.1386 -21.1386 -17.8812 -17.8812 -17.4171 -17.4171 -17.2201 -17.2201 -8.0071 -8.0071 -7.4314 -7.4314 -4.5389 -4.5389 -4.2524 -4.2524 -4.1134 -4.1134 5.3973 5.3973 5.6535 5.6535 5.9624 5.9624 6.9594 6.9594 7.5762 7.5762 7.8028 7.8028 13.1756 13.1756 13.1846 13.1846 13.4854 13.4854 13.8939 13.8939 k = 0.1120-0.2006-0.3808 ( 2259 PWs) bands (ev): -38.8628 -38.8628 -21.1321 -21.1321 -17.8829 -17.8829 -17.4242 -17.4242 -17.2262 -17.2262 -7.9828 -7.9828 -7.4373 -7.4373 -4.5647 -4.5647 -4.2627 -4.2627 -4.1219 -4.1219 5.4322 5.4322 5.6482 5.6482 5.9738 5.9738 6.8965 6.8965 7.5426 7.5426 7.8058 7.8058 13.1865 13.1865 13.2305 13.2305 13.5266 13.5266 13.9181 13.9181 k = 0.1171-0.2097-0.3981 ( 2265 PWs) bands (ev): -38.8611 -38.8611 -21.1256 -21.1256 -17.8850 -17.8850 -17.4313 -17.4313 -17.2323 -17.2323 -7.9582 -7.9582 -7.4432 -7.4432 -4.5913 -4.5913 -4.2726 -4.2726 -4.1305 -4.1305 5.4670 5.4670 5.6433 5.6433 5.9837 5.9837 6.8365 6.8365 7.5080 7.5080 7.8080 7.8080 13.1970 13.1970 13.2665 13.2665 13.5775 13.5775 13.9433 13.9433 k = 0.1222-0.2189-0.4154 ( 2265 PWs) bands (ev): -38.8595 -38.8595 -21.1189 -21.1189 -17.8873 -17.8873 -17.4383 -17.4383 -17.2384 -17.2384 -7.9334 -7.9334 -7.4492 -7.4492 -4.6186 -4.6186 -4.2823 -4.2823 -4.1391 -4.1391 5.5014 5.5014 5.6391 5.6391 5.9920 5.9920 6.7801 6.7801 7.4726 7.4726 7.8093 7.8093 13.2084 13.2084 13.2915 13.2915 13.6371 13.6371 13.9700 13.9700 k = 0.1272-0.2280-0.4327 ( 2265 PWs) bands (ev): -38.8577 -38.8577 -21.1120 -21.1120 -17.8900 -17.8900 -17.4452 -17.4452 -17.2444 -17.2444 -7.9084 -7.9084 -7.4552 -7.4552 -4.6462 -4.6462 -4.2919 -4.2919 -4.1477 -4.1477 5.5348 5.5348 5.6355 5.6355 5.9982 5.9982 6.7283 6.7283 7.4367 7.4367 7.8097 7.8097 13.2206 13.2206 13.3073 13.3073 13.7026 13.7026 13.9988 13.9988 k = 0.1323-0.2371-0.4500 ( 2267 PWs) bands (ev): -38.8560 -38.8560 -21.1051 -21.1051 -17.8931 -17.8931 -17.4519 -17.4519 -17.2505 -17.2505 -7.8833 -7.8833 -7.4612 -7.4612 -4.6741 -4.6741 -4.3014 -4.3014 -4.1561 -4.1561 5.5667 5.5667 5.6324 5.6324 6.0020 6.0020 6.6819 6.6819 7.4002 7.4002 7.8090 7.8090 13.2336 13.2336 13.3159 13.3159 13.7704 13.7704 14.0309 14.0309 k = 0.1374-0.2462-0.4673 ( 2265 PWs) bands (ev): -38.8543 -38.8543 -21.0981 -21.0981 -17.8964 -17.8964 -17.4584 -17.4584 -17.2564 -17.2564 -7.8583 -7.8583 -7.4672 -7.4672 -4.7020 -4.7020 -4.3110 -4.3110 -4.1645 -4.1645 5.5963 5.5963 5.6301 5.6301 6.0035 6.0035 6.6416 6.6416 7.3634 7.3634 7.8072 7.8072 13.2474 13.2474 13.3190 13.3190 13.8365 13.8365 14.0684 14.0684 k = 0.1425-0.2553-0.4846 ( 2265 PWs) bands (ev): -38.8525 -38.8525 -21.0911 -21.0911 -17.9001 -17.9001 -17.4646 -17.4646 -17.2624 -17.2624 -7.8334 -7.8334 -7.4731 -7.4731 -4.7298 -4.7298 -4.3208 -4.3208 -4.1726 -4.1726 5.6220 5.6220 5.6290 5.6290 6.0031 6.0031 6.6080 6.6080 7.3263 7.3263 7.8044 7.8044 13.2620 13.2620 13.3177 13.3177 13.8969 13.8969 14.1140 14.1140 k = 0.1476-0.2645-0.5019 ( 2265 PWs) bands (ev): -38.8508 -38.8508 -21.0840 -21.0840 -17.9041 -17.9041 -17.4705 -17.4705 -17.2683 -17.2683 -7.8087 -7.8087 -7.4789 -7.4789 -4.7573 -4.7573 -4.3309 -4.3309 -4.1806 -4.1806 5.6268 5.6268 5.6446 5.6446 6.0017 6.0017 6.5814 6.5814 7.2892 7.2892 7.8005 7.8005 13.2770 13.2770 13.3132 13.3132 13.9482 13.9482 14.1700 14.1700 k = 0.1527-0.2736-0.5192 ( 2261 PWs) bands (ev): -38.8490 -38.8490 -21.0769 -21.0769 -17.9084 -17.9084 -17.4760 -17.4760 -17.2743 -17.2743 -7.7843 -7.7843 -7.4846 -7.4846 -4.7844 -4.7844 -4.3413 -4.3413 -4.1882 -4.1882 5.6265 5.6265 5.6597 5.6597 6.0013 6.0013 6.5617 6.5617 7.2521 7.2521 7.7955 7.7955 13.2909 13.2909 13.3075 13.3075 13.9896 13.9896 14.2363 14.2363 k = 0.1578-0.2827-0.5365 ( 2269 PWs) bands (ev): -38.8472 -38.8472 -21.0698 -21.0698 -17.9129 -17.9129 -17.4812 -17.4812 -17.2803 -17.2803 -7.7602 -7.7602 -7.4902 -7.4902 -4.8110 -4.8110 -4.3522 -4.3522 -4.1954 -4.1954 5.6267 5.6267 5.6668 5.6668 6.0036 6.0036 6.5485 6.5485 7.2152 7.2152 7.7895 7.7895 13.2907 13.2907 13.3139 13.3139 14.0227 14.0227 14.3106 14.3106 k = 0.1629-0.2918-0.5538 ( 2265 PWs) bands (ev): -38.8455 -38.8455 -21.0627 -21.0627 -17.9177 -17.9177 -17.4861 -17.4861 -17.2862 -17.2862 -7.7366 -7.7366 -7.4955 -7.4955 -4.8368 -4.8368 -4.3636 -4.3636 -4.2023 -4.2023 5.6275 5.6275 5.6650 5.6650 6.0104 6.0104 6.5410 6.5410 7.1785 7.1785 7.7824 7.7824 13.2792 13.2792 13.3301 13.3301 14.0498 14.0498 14.3900 14.3900 k = 0.1680-0.3009-0.5711 ( 2273 PWs) bands (ev): -38.8437 -38.8437 -21.0556 -21.0556 -17.9227 -17.9227 -17.4906 -17.4906 -17.2922 -17.2922 -7.7135 -7.7135 -7.5007 -7.5007 -4.8620 -4.8620 -4.3755 -4.3755 -4.2087 -4.2087 5.6288 5.6288 5.6546 5.6546 6.0222 6.0222 6.5383 6.5383 7.1423 7.1423 7.7742 7.7742 13.2647 13.2647 13.3479 13.3479 14.0726 14.0726 14.4712 14.4713 k = 0.1731-0.3101-0.5884 ( 2267 PWs) bands (ev): -38.8420 -38.8420 -21.0486 -21.0486 -17.9278 -17.9278 -17.4947 -17.4947 -17.2981 -17.2981 -7.6909 -7.6909 -7.5056 -7.5056 -4.8862 -4.8862 -4.3880 -4.3880 -4.2147 -4.2147 5.6298 5.6298 5.6377 5.6377 6.0386 6.0386 6.5395 6.5395 7.1067 7.1067 7.7651 7.7651 13.2484 13.2484 13.3664 13.3664 14.0920 14.0920 14.4717 14.4717 k = 0.1781-0.3192-0.6058 ( 2265 PWs) bands (ev): -38.8403 -38.8403 -21.0417 -21.0417 -17.9330 -17.9330 -17.4985 -17.4985 -17.3041 -17.3041 -7.6689 -7.6689 -7.5102 -7.5102 -4.9095 -4.9095 -4.4010 -4.4010 -4.2202 -4.2202 5.6122 5.6122 5.6343 5.6343 6.0582 6.0582 6.5439 6.5439 7.0717 7.0717 7.7550 7.7550 13.2305 13.2305 13.3855 13.3855 14.1085 14.1085 14.4497 14.4497 k = 0.1832-0.3283-0.6231 ( 2267 PWs) bands (ev): -38.8386 -38.8386 -21.0349 -21.0349 -17.9383 -17.9383 -17.5020 -17.5020 -17.3100 -17.3100 -7.6477 -7.6477 -7.5146 -7.5146 -4.9318 -4.9318 -4.4147 -4.4147 -4.2252 -4.2252 5.5852 5.5852 5.6373 5.6373 6.0798 6.0798 6.5508 6.5508 7.0376 7.0376 7.7439 7.7439 13.2114 13.2114 13.4050 13.4050 14.1227 14.1227 14.4301 14.4301 k = 0.1883-0.3374-0.6404 ( 2269 PWs) bands (ev): -38.8370 -38.8370 -21.0282 -21.0282 -17.9436 -17.9436 -17.5052 -17.5052 -17.3160 -17.3160 -7.6272 -7.6272 -7.5185 -7.5185 -4.9530 -4.9530 -4.4289 -4.4289 -4.2299 -4.2299 5.5558 5.5558 5.6409 5.6409 6.1023 6.1023 6.5596 6.5596 7.0044 7.0044 7.7320 7.7320 13.1912 13.1912 13.4249 13.4249 14.1345 14.1345 14.4132 14.4132 k = 0.1934-0.3465-0.6577 ( 2267 PWs) bands (ev): -38.8354 -38.8354 -21.0216 -21.0216 -17.9488 -17.9488 -17.5081 -17.5081 -17.3220 -17.3220 -7.6074 -7.6074 -7.5221 -7.5221 -4.9731 -4.9731 -4.4437 -4.4437 -4.2340 -4.2340 5.5255 5.5255 5.6450 5.6450 6.1246 6.1246 6.5700 6.5700 6.9723 6.9723 7.7191 7.7191 13.1702 13.1702 13.4452 13.4452 14.1442 14.1442 14.3990 14.3990 k = 0.1985-0.3556-0.6750 ( 2273 PWs) bands (ev): -38.8338 -38.8338 -21.0151 -21.0151 -17.9540 -17.9540 -17.5108 -17.5108 -17.3280 -17.3280 -7.5886 -7.5886 -7.5253 -7.5253 -4.9920 -4.9920 -4.4591 -4.4591 -4.2378 -4.2378 5.4953 5.4953 5.6496 5.6496 6.1461 6.1461 6.5816 6.5816 6.9415 6.9415 7.7055 7.7055 13.1484 13.1484 13.4658 13.4658 14.1518 14.1518 14.3876 14.3876 k = 0.2036-0.3648-0.6923 ( 2277 PWs) bands (ev): -38.8322 -38.8322 -21.0088 -21.0088 -17.9591 -17.9591 -17.5133 -17.5133 -17.3339 -17.3339 -7.5707 -7.5707 -7.5279 -7.5279 -5.0096 -5.0096 -4.4750 -4.4750 -4.2413 -4.2413 5.4658 5.4658 5.6544 5.6544 6.1661 6.1661 6.5941 6.5941 6.9120 6.9120 7.6910 7.6910 13.1262 13.1262 13.4865 13.4865 14.1575 14.1575 14.3790 14.3790 k = 0.2087-0.3739-0.7096 ( 2279 PWs) bands (ev): -38.8307 -38.8307 -21.0027 -21.0027 -17.9639 -17.9639 -17.5155 -17.5155 -17.3398 -17.3398 -7.5541 -7.5541 -7.5299 -7.5299 -5.0260 -5.0260 -4.4913 -4.4913 -4.2443 -4.2443 5.4377 5.4377 5.6596 5.6596 6.1840 6.1840 6.6076 6.6076 6.8840 6.8840 7.6758 7.6758 13.1036 13.1036 13.5075 13.5075 14.1615 14.1615 14.3733 14.3733 k = 0.2138-0.3830-0.7269 ( 2279 PWs) bands (ev): -38.8293 -38.8293 -20.9967 -20.9967 -17.9685 -17.9685 -17.5177 -17.5177 -17.3457 -17.3457 -7.5404 -7.5404 -7.5292 -7.5292 -5.0410 -5.0410 -4.5081 -4.5081 -4.2471 -4.2471 5.4113 5.4113 5.6650 5.6650 6.1995 6.1995 6.6218 6.6218 6.8577 6.8577 7.6599 7.6599 13.0808 13.0808 13.5286 13.5286 14.1637 14.1637 14.3704 14.3704 k = 0.2189-0.3921-0.7442 ( 2279 PWs) bands (ev): -38.8279 -38.8279 -20.9910 -20.9910 -17.9729 -17.9729 -17.5197 -17.5197 -17.3515 -17.3515 -7.5365 -7.5365 -7.5193 -7.5193 -5.0547 -5.0547 -4.5253 -4.5253 -4.2496 -4.2496 5.3870 5.3870 5.6705 5.6705 6.2123 6.2123 6.6367 6.6367 6.8333 6.8333 7.6433 7.6433 13.0580 13.0580 13.5497 13.5497 14.1644 14.1644 14.3705 14.3705 k = 0.2240-0.4012-0.7615 ( 2279 PWs) bands (ev): -38.8266 -38.8266 -20.9855 -20.9855 -17.9770 -17.9770 -17.5216 -17.5216 -17.3572 -17.3572 -7.5366 -7.5366 -7.5059 -7.5059 -5.0671 -5.0671 -4.5429 -4.5429 -4.2518 -4.2518 5.3650 5.3650 5.6760 5.6760 6.2220 6.2220 6.6521 6.6521 6.8107 6.8107 7.6260 7.6260 13.0353 13.0353 13.5708 13.5708 14.1637 14.1637 14.3736 14.3736 k = 0.2290-0.4104-0.7788 ( 2279 PWs) bands (ev): -38.8253 -38.8253 -20.9801 -20.9801 -17.9807 -17.9807 -17.5234 -17.5234 -17.3629 -17.3629 -7.5369 -7.5369 -7.4928 -7.4928 -5.0782 -5.0782 -4.5607 -4.5607 -4.2538 -4.2538 5.3456 5.3456 5.6815 5.6815 6.2284 6.2284 6.6680 6.6680 6.7902 6.7902 7.6082 7.6082 13.0127 13.0127 13.5919 13.5919 14.1616 14.1616 14.3798 14.3798 k = 0.2341-0.4195-0.7961 ( 2277 PWs) bands (ev): -38.8240 -38.8240 -20.9751 -20.9751 -17.9842 -17.9842 -17.5252 -17.5252 -17.3684 -17.3684 -7.5368 -7.5368 -7.4806 -7.4806 -5.0878 -5.0878 -4.5789 -4.5789 -4.2555 -4.2555 5.3288 5.3288 5.6869 5.6869 6.2315 6.2315 6.6842 6.6842 6.7719 6.7719 7.5898 7.5898 12.9905 12.9905 13.6128 13.6128 14.1585 14.1585 14.3890 14.3890 k = 0.2392-0.4286-0.8134 ( 2273 PWs) bands (ev): -38.8229 -38.8229 -20.9702 -20.9702 -17.9872 -17.9872 -17.5269 -17.5269 -17.3738 -17.3738 -7.5363 -7.5363 -7.4693 -7.4693 -5.0961 -5.0961 -4.5972 -4.5972 -4.2571 -4.2571 5.3149 5.3149 5.6921 5.6921 6.2311 6.2311 6.7006 6.7006 6.7560 6.7560 7.5708 7.5708 12.9687 12.9687 13.6336 13.6336 14.1542 14.1542 14.4014 14.4014 k = 0.2443-0.4377-0.8307 ( 2273 PWs) bands (ev): -38.8217 -38.8217 -20.9656 -20.9656 -17.9900 -17.9900 -17.5287 -17.5287 -17.3790 -17.3790 -7.5352 -7.5352 -7.4590 -7.4590 -5.1031 -5.1031 -4.6158 -4.6158 -4.2585 -4.2585 5.3040 5.3040 5.6970 5.6970 6.2274 6.2274 6.7165 6.7165 6.7429 6.7429 7.5514 7.5514 12.9475 12.9475 13.6541 13.6541 14.1491 14.1491 14.4169 14.4169 k = 0.2494-0.4468-0.8481 ( 2275 PWs) bands (ev): -38.8207 -38.8207 -20.9613 -20.9613 -17.9923 -17.9923 -17.5304 -17.5304 -17.3841 -17.3841 -7.5338 -7.5338 -7.4498 -7.4498 -5.1087 -5.1087 -4.6345 -4.6345 -4.2598 -4.2598 5.2959 5.2959 5.7015 5.7015 6.2203 6.2203 6.7270 6.7270 6.7375 6.7375 7.5315 7.5315 12.9269 12.9269 13.6743 13.6743 14.1430 14.1430 14.4356 14.4356 k = 0.2545-0.4560-0.8654 ( 2279 PWs) bands (ev): -38.8197 -38.8197 -20.9572 -20.9572 -17.9943 -17.9943 -17.5322 -17.5322 -17.3890 -17.3890 -7.5318 -7.5318 -7.4416 -7.4416 -5.1130 -5.1130 -4.6534 -4.6534 -4.2609 -4.2609 5.2909 5.2909 5.7056 5.7056 6.2100 6.2100 6.7211 6.7211 6.7508 6.7508 7.5112 7.5112 12.9070 12.9070 13.6942 13.6942 14.1362 14.1362 14.4575 14.4575 k = 0.2596-0.4651-0.8827 ( 2283 PWs) bands (ev): -38.8188 -38.8188 -20.9534 -20.9534 -17.9960 -17.9960 -17.5341 -17.5341 -17.3937 -17.3937 -7.5293 -7.5293 -7.4344 -7.4344 -5.1159 -5.1159 -4.6722 -4.6722 -4.2620 -4.2620 5.2889 5.2889 5.7092 5.7092 6.1965 6.1965 6.7155 6.7155 6.7659 6.7659 7.4905 7.4905 12.8879 12.8879 13.7138 13.7138 14.1287 14.1287 14.4827 14.4827 k = 0.2647-0.4742-0.9000 ( 2285 PWs) bands (ev): -38.8179 -38.8179 -20.9499 -20.9499 -17.9973 -17.9973 -17.5359 -17.5359 -17.3981 -17.3981 -7.5262 -7.5262 -7.4283 -7.4283 -5.1176 -5.1176 -4.6911 -4.6911 -4.2629 -4.2629 5.2900 5.2900 5.7123 5.7123 6.1800 6.1800 6.7122 6.7122 6.7807 6.7807 7.4694 7.4694 12.8696 12.8696 13.7330 13.7330 14.1204 14.1204 14.5110 14.5110 k = 0.2698-0.4833-0.9173 ( 2281 PWs) bands (ev): -38.8172 -38.8172 -20.9466 -20.9466 -17.9982 -17.9982 -17.5377 -17.5377 -17.4023 -17.4023 -7.5227 -7.5227 -7.4232 -7.4232 -5.1179 -5.1179 -4.7099 -4.7099 -4.2637 -4.2637 5.2942 5.2942 5.7150 5.7150 6.1607 6.1607 6.7114 6.7114 6.7947 6.7947 7.4480 7.4480 12.8522 12.8522 13.7518 13.7518 14.1115 14.1115 14.5426 14.5426 k = 0.2749-0.4924-0.9346 ( 2279 PWs) bands (ev): -38.8164 -38.8164 -20.9436 -20.9436 -17.9988 -17.9988 -17.5395 -17.5395 -17.4063 -17.4063 -7.5188 -7.5188 -7.4192 -7.4192 -5.1171 -5.1171 -4.7285 -4.7285 -4.2645 -4.2645 5.3013 5.3013 5.7171 5.7171 6.1387 6.1387 6.7133 6.7133 6.8079 6.8079 7.4263 7.4263 12.8357 12.8357 13.7702 13.7702 14.1019 14.1019 14.5773 14.5773 k = 0.2799-0.5016-0.9519 ( 2277 PWs) bands (ev): -38.8158 -38.8158 -20.9409 -20.9409 -17.9992 -17.9992 -17.5414 -17.5414 -17.4099 -17.4099 -7.5143 -7.5143 -7.4161 -7.4161 -5.1150 -5.1150 -4.7470 -4.7470 -4.2651 -4.2651 5.3113 5.3113 5.7188 5.7188 6.1142 6.1142 6.7176 6.7176 6.8201 6.8201 7.4044 7.4044 12.8201 12.8201 13.7882 13.7882 14.0917 14.0917 14.6150 14.6150 k = 0.2850-0.5107-0.9692 ( 2281 PWs) bands (ev): -38.8152 -38.8152 -20.9385 -20.9385 -17.9993 -17.9993 -17.5432 -17.5432 -17.4133 -17.4133 -7.5095 -7.5095 -7.4142 -7.4142 -5.1119 -5.1119 -4.7651 -4.7651 -4.2657 -4.2657 5.3241 5.3241 5.7200 5.7200 6.0875 6.0875 6.7243 6.7243 6.8312 6.8312 7.3822 7.3822 12.8053 12.8053 13.8059 13.8059 14.0807 14.0807 14.6557 14.6557 k = 0.2901-0.5198-0.9865 ( 2279 PWs) bands (ev): -38.8147 -38.8147 -20.9363 -20.9363 -17.9992 -17.9992 -17.5449 -17.5449 -17.4164 -17.4164 -7.5042 -7.5042 -7.4133 -7.4133 -5.1077 -5.1077 -4.7829 -4.7829 -4.2662 -4.2662 5.3396 5.3396 5.7209 5.7209 6.0587 6.0587 6.7334 6.7334 6.8412 6.8412 7.3599 7.3599 12.7914 12.7914 13.8232 13.8232 14.0690 14.0690 14.6993 14.6993 k = 0.2952-0.5289-1.0038 ( 2277 PWs) bands (ev): -38.8142 -38.8142 -20.9344 -20.9344 -17.9989 -17.9989 -17.5466 -17.5466 -17.4192 -17.4192 -7.4985 -7.4985 -7.4133 -7.4133 -5.1026 -5.1026 -4.8001 -4.8001 -4.2667 -4.2667 5.3575 5.3575 5.7216 5.7216 6.0282 6.0282 6.7445 6.7445 6.8500 6.8500 7.3375 7.3375 12.7782 12.7782 13.8402 13.8402 14.0567 14.0567 14.7457 14.7457 k = 0.3003-0.5380-1.0211 ( 2273 PWs) bands (ev): -38.8138 -38.8138 -20.9327 -20.9327 -17.9985 -17.9985 -17.5481 -17.5481 -17.4217 -17.4217 -7.4925 -7.4925 -7.4144 -7.4144 -5.0967 -5.0967 -4.8166 -4.8166 -4.2670 -4.2670 5.3777 5.3777 5.7220 5.7220 5.9963 5.9963 6.7577 6.7577 6.8577 6.8577 7.3150 7.3150 12.7657 12.7657 13.8570 13.8570 14.0437 14.0437 14.7947 14.7947 k = 0.3054-0.5471-1.0384 ( 2269 PWs) bands (ev): -38.8135 -38.8135 -20.9314 -20.9314 -17.9981 -17.9981 -17.5494 -17.5494 -17.4238 -17.4238 -7.4861 -7.4861 -7.4164 -7.4164 -5.0903 -5.0903 -4.8322 -4.8322 -4.2673 -4.2673 5.3997 5.3997 5.7224 5.7224 5.9635 5.9635 6.7727 6.7727 6.8642 6.8642 7.2925 7.2925 12.7538 12.7538 13.8735 13.8735 14.0299 14.0300 14.8462 14.8462 k = 0.3105-0.5563-1.0557 ( 2271 PWs) bands (ev): -38.8132 -38.8132 -20.9302 -20.9302 -17.9976 -17.9976 -17.5506 -17.5506 -17.4257 -17.4257 -7.4795 -7.4795 -7.4194 -7.4194 -5.0836 -5.0836 -4.8465 -4.8465 -4.2676 -4.2676 5.4230 5.4230 5.7227 5.7227 5.9303 5.9303 6.7891 6.7891 6.8695 6.8695 7.2701 7.2701 12.7422 12.7422 13.8897 13.8897 14.0156 14.0156 14.9001 14.9001 k = 0.3156-0.5654-1.0730 ( 2271 PWs) bands (ev): -38.8130 -38.8130 -20.9293 -20.9293 -17.9971 -17.9971 -17.5516 -17.5516 -17.4272 -17.4272 -7.4726 -7.4726 -7.4233 -7.4233 -5.0771 -5.0771 -4.8592 -4.8592 -4.2678 -4.2678 5.4468 5.4468 5.7231 5.7231 5.8977 5.8977 6.8068 6.8068 6.8736 6.8736 7.2479 7.2479 12.7309 12.7309 13.9056 13.9056 14.0008 14.0008 14.9561 14.9561 k = 0.3207-0.5745-1.0904 ( 2279 PWs) bands (ev): -38.8129 -38.8129 -20.9287 -20.9287 -17.9967 -17.9967 -17.5524 -17.5524 -17.4284 -17.4284 -7.4656 -7.4656 -7.4280 -7.4280 -5.0713 -5.0713 -4.8698 -4.8698 -4.2679 -4.2679 5.4697 5.4697 5.7237 5.7237 5.8669 5.8669 6.8254 6.8254 6.8767 6.8767 7.2261 7.2261 12.7195 12.7195 13.9212 13.9212 13.9856 13.9856 15.0141 15.0141 k = 0.3258-0.5836-1.1077 ( 2277 PWs) bands (ev): -38.8128 -38.8128 -20.9282 -20.9282 -17.9964 -17.9964 -17.5529 -17.5529 -17.4291 -17.4291 -7.4588 -7.4588 -7.4332 -7.4332 -5.0667 -5.0667 -4.8776 -4.8776 -4.2680 -4.2680 5.4899 5.4899 5.7247 5.7247 5.8401 5.8401 6.8445 6.8445 6.8788 6.8788 7.2049 7.2049 12.7080 12.7080 13.9358 13.9358 13.9708 13.9708 15.0738 15.0738 k = 0.3308-0.5927-1.1250 ( 2283 PWs) bands (ev): -38.8127 -38.8127 -20.9280 -20.9280 -17.9962 -17.9962 -17.5532 -17.5532 -17.4295 -17.4295 -7.4531 -7.4531 -7.4379 -7.4379 -5.0642 -5.0642 -4.8820 -4.8820 -4.2680 -4.2680 5.5042 5.5042 5.7260 5.7260 5.8203 5.8203 6.8633 6.8633 6.8802 6.8802 7.1847 7.1847 12.6960 12.6960 13.9437 13.9437 13.9622 13.9622 15.1351 15.1351 k = 0.3359-0.6019-1.1423 ( 2281 PWs) bands (ev): -38.8127 -38.8127 -20.9280 -20.9280 -17.9963 -17.9963 -17.5532 -17.5532 -17.4295 -17.4295 -7.4531 -7.4531 -7.4376 -7.4376 -5.0642 -5.0642 -4.8824 -4.8824 -4.2679 -4.2679 5.5092 5.5092 5.7277 5.7277 5.8110 5.8110 6.8773 6.8773 6.8848 6.8848 7.1661 7.1661 12.6833 12.6833 13.9329 13.9329 13.9721 13.9721 15.1975 15.1975 k = 0.3410-0.6110-1.1596 ( 2279 PWs) bands (ev): -38.8128 -38.8128 -20.9282 -20.9282 -17.9965 -17.9965 -17.5530 -17.5530 -17.4291 -17.4291 -7.4594 -7.4594 -7.4316 -7.4316 -5.0670 -5.0670 -4.8787 -4.8787 -4.2676 -4.2676 5.5020 5.5020 5.7300 5.7300 5.8150 5.8150 6.8784 6.8784 6.8999 6.8999 7.1499 7.1499 12.6695 12.6695 13.9175 13.9175 13.9865 13.9865 15.2607 15.2607 k = 0.6590-0.4809-1.0811 ( 2279 PWs) bands (ev): -38.8128 -38.8128 -20.9282 -20.9282 -17.9965 -17.9965 -17.5530 -17.5530 -17.4291 -17.4291 -7.4594 -7.4594 -7.4316 -7.4316 -5.0670 -5.0670 -4.8787 -4.8787 -4.2676 -4.2676 5.5020 5.5020 5.7300 5.7300 5.8150 5.8150 6.8784 6.8784 6.8999 6.8999 7.1499 7.1499 12.6695 12.6695 13.9175 13.9175 13.9865 13.9865 15.2607 15.2607 k = 0.6540-0.4618-1.0811 ( 2281 PWs) bands (ev): -38.8128 -38.8128 -20.9286 -20.9286 -17.9970 -17.9970 -17.5526 -17.5526 -17.4282 -17.4282 -7.4677 -7.4677 -7.4243 -7.4243 -5.0723 -5.0723 -4.8712 -4.8712 -4.2674 -4.2674 5.4837 5.4837 5.7329 5.7329 5.8314 5.8314 6.8773 6.8773 6.9131 6.9131 7.1375 7.1375 12.6548 12.6548 13.9020 13.9020 14.0012 14.0012 15.3229 15.3229 k = 0.6490-0.4427-1.0811 ( 2275 PWs) bands (ev): -38.8130 -38.8130 -20.9291 -20.9291 -17.9977 -17.9977 -17.5519 -17.5519 -17.4269 -17.4269 -7.4768 -7.4768 -7.4166 -7.4166 -5.0796 -5.0796 -4.8603 -4.8603 -4.2670 -4.2670 5.4564 5.4564 5.7364 5.7364 5.8577 5.8577 6.8756 6.8756 6.9219 6.9219 7.1300 7.1300 12.6385 12.6385 13.8867 13.8867 14.0161 14.0161 15.3850 15.3850 k = 0.6441-0.4236-1.0811 ( 2273 PWs) bands (ev): -38.8131 -38.8131 -20.9298 -20.9298 -17.9986 -17.9986 -17.5512 -17.5512 -17.4251 -17.4251 -7.4868 -7.4868 -7.4088 -7.4088 -5.0886 -5.0886 -4.8467 -4.8467 -4.2665 -4.2665 5.4231 5.4231 5.7406 5.7406 5.8912 5.8912 6.8735 6.8735 6.9248 6.9248 7.1287 7.1287 12.6204 12.6204 13.8720 13.8720 14.0309 14.0309 15.4465 15.4466 k = 0.6391-0.4045-1.0811 ( 2271 PWs) bands (ev): -38.8133 -38.8133 -20.9306 -20.9306 -17.9998 -17.9998 -17.5503 -17.5503 -17.4228 -17.4228 -7.4973 -7.4973 -7.4009 -7.4009 -5.0987 -5.0987 -4.8309 -4.8309 -4.2660 -4.2660 5.3858 5.3858 5.7456 5.7456 5.9294 5.9294 6.8711 6.8711 6.9211 6.9211 7.1341 7.1341 12.6003 12.6003 13.8581 13.8581 14.0458 14.0458 15.5063 15.5063 k = 0.6341-0.3854-1.0811 ( 2271 PWs) bands (ev): -38.8136 -38.8136 -20.9315 -20.9315 -18.0013 -18.0013 -17.5494 -17.5494 -17.4200 -17.4200 -7.5084 -7.5084 -7.3929 -7.3929 -5.1095 -5.1095 -4.8133 -4.8133 -4.2653 -4.2653 5.3460 5.3460 5.7514 5.7514 5.9710 5.9710 6.8686 6.8686 6.9114 6.9114 7.1454 7.1454 12.5779 12.5779 13.8452 13.8452 14.0606 14.0606 15.4863 15.4863 k = 0.6292-0.3663-1.0811 ( 2275 PWs) bands (ev): -38.8138 -38.8138 -20.9325 -20.9325 -18.0031 -18.0031 -17.5484 -17.5484 -17.4167 -17.4167 -7.5199 -7.5199 -7.3851 -7.3851 -5.1207 -5.1207 -4.7944 -4.7944 -4.2646 -4.2646 5.3047 5.3047 5.7579 5.7579 6.0147 6.0147 6.8662 6.8662 6.8971 6.8971 7.1612 7.1612 12.5530 12.5530 13.8335 13.8335 14.0754 14.0754 15.4236 15.4236 k = 0.6242-0.3472-1.0811 ( 2275 PWs) bands (ev): -38.8141 -38.8141 -20.9337 -20.9337 -18.0051 -18.0051 -17.5475 -17.5475 -17.4128 -17.4128 -7.5318 -7.5318 -7.3773 -7.3773 -5.1321 -5.1321 -4.7744 -4.7744 -4.2637 -4.2637 5.2626 5.2626 5.7653 5.7653 6.0598 6.0598 6.8639 6.8639 6.8797 6.8797 7.1800 7.1800 12.5255 12.5255 13.8231 13.8231 14.0902 14.0902 15.3591 15.3591 k = 0.6192-0.3281-1.0811 ( 2273 PWs) bands (ev): -38.8144 -38.8144 -20.9349 -20.9349 -18.0072 -18.0072 -17.5466 -17.5466 -17.4085 -17.4085 -7.5440 -7.5440 -7.3697 -7.3697 -5.1435 -5.1435 -4.7535 -4.7535 -4.2627 -4.2627 5.2202 5.2202 5.7735 5.7735 6.1055 6.1055 6.8573 6.8573 6.8650 6.8650 7.2008 7.2008 12.4955 12.4955 13.8142 13.8142 14.1049 14.1049 15.2936 15.2936 k = 0.6143-0.3090-1.0811 ( 2275 PWs) bands (ev): -38.8147 -38.8147 -20.9362 -20.9362 -18.0096 -18.0096 -17.5458 -17.5458 -17.4037 -17.4037 -7.5564 -7.5564 -7.3621 -7.3621 -5.1548 -5.1548 -4.7322 -4.7322 -4.2616 -4.2616 5.1778 5.1778 5.7826 5.7826 6.1512 6.1512 6.8370 6.8370 6.8632 6.8632 7.2226 7.2226 12.4630 12.4630 13.8068 13.8068 14.1197 14.1197 15.2280 15.2280 k = 0.6093-0.2900-1.0811 ( 2273 PWs) bands (ev): -38.8151 -38.8151 -20.9376 -20.9376 -18.0122 -18.0122 -17.5451 -17.5451 -17.3984 -17.3984 -7.5690 -7.5690 -7.3548 -7.3548 -5.1659 -5.1659 -4.7104 -4.7104 -4.2604 -4.2604 5.1357 5.1357 5.7926 5.7926 6.1962 6.1962 6.8143 6.8143 6.8638 6.8638 7.2449 7.2449 12.4279 12.4279 13.8008 13.8008 14.1344 14.1344 15.1629 15.1629 k = 0.6043-0.2709-1.0811 ( 2277 PWs) bands (ev): -38.8154 -38.8154 -20.9390 -20.9390 -18.0149 -18.0149 -17.5445 -17.5445 -17.3928 -17.3928 -7.5816 -7.5816 -7.3476 -7.3476 -5.1768 -5.1768 -4.6885 -4.6885 -4.2590 -4.2590 5.0942 5.0942 5.8035 5.8035 6.2400 6.2400 6.7907 6.7907 6.8662 6.8662 7.2674 7.2674 12.3907 12.3907 13.7963 13.7963 14.1490 14.1490 15.0987 15.0987 k = 0.5994-0.2518-1.0811 ( 2275 PWs) bands (ev): -38.8158 -38.8158 -20.9405 -20.9405 -18.0177 -18.0177 -17.5440 -17.5440 -17.3868 -17.3868 -7.5943 -7.5943 -7.3407 -7.3407 -5.1872 -5.1872 -4.6665 -4.6665 -4.2575 -4.2575 5.0535 5.0535 5.8153 5.8153 6.2818 6.2818 6.7663 6.7663 6.8706 6.8706 7.2898 7.2898 12.3514 12.3514 13.7932 13.7932 14.1636 14.1636 15.0359 15.0359 k = 0.5944-0.2327-1.0811 ( 2275 PWs) bands (ev): -38.8161 -38.8161 -20.9419 -20.9419 -18.0206 -18.0206 -17.5436 -17.5436 -17.3805 -17.3805 -7.6069 -7.6069 -7.3339 -7.3339 -5.1974 -5.1974 -4.6446 -4.6446 -4.2559 -4.2559 5.0137 5.0137 5.8280 5.8280 6.3211 6.3211 6.7414 6.7414 6.8775 6.8775 7.3117 7.3117 12.3103 12.3103 13.7913 13.7913 14.1782 14.1782 14.9748 14.9748 k = 0.5894-0.2136-1.0811 ( 2275 PWs) bands (ev): -38.8165 -38.8165 -20.9434 -20.9434 -18.0235 -18.0235 -17.5433 -17.5433 -17.3740 -17.3740 -7.6194 -7.6194 -7.3275 -7.3275 -5.2071 -5.2071 -4.6230 -4.6230 -4.2541 -4.2541 4.9751 4.9751 5.8415 5.8415 6.3572 6.3572 6.7162 6.7162 6.8873 6.8873 7.3331 7.3331 12.2679 12.2679 13.7905 13.7905 14.1926 14.1926 14.9156 14.9156 k = 0.5845-0.1945-1.0811 ( 2269 PWs) bands (ev): -38.8168 -38.8168 -20.9449 -20.9449 -18.0265 -18.0265 -17.5431 -17.5431 -17.3674 -17.3674 -7.6317 -7.6317 -7.3213 -7.3213 -5.2163 -5.2163 -4.6018 -4.6018 -4.2522 -4.2522 4.9378 4.9378 5.8560 5.8560 6.3895 6.3895 6.6906 6.6906 6.9004 6.9004 7.3538 7.3538 12.2246 12.2246 13.7906 13.7906 14.2068 14.2068 14.8588 14.8588 k = 0.5795-0.1754-1.0811 ( 2269 PWs) bands (ev): -38.8172 -38.8172 -20.9464 -20.9464 -18.0295 -18.0295 -17.5431 -17.5431 -17.3607 -17.3607 -7.6437 -7.6437 -7.3154 -7.3154 -5.2251 -5.2251 -4.5812 -4.5812 -4.2501 -4.2501 4.9018 4.9018 5.8713 5.8713 6.4176 6.4176 6.6647 6.6647 6.9168 6.9168 7.3737 7.3737 12.1806 12.1806 13.7915 13.7915 14.2209 14.2209 14.8045 14.8045 k = 0.5745-0.1563-1.0811 ( 2269 PWs) bands (ev): -38.8175 -38.8175 -20.9478 -20.9478 -18.0324 -18.0324 -17.5430 -17.5430 -17.3540 -17.3540 -7.6554 -7.6554 -7.3098 -7.3098 -5.2334 -5.2334 -4.5613 -4.5613 -4.2479 -4.2479 4.8675 4.8675 5.8874 5.8874 6.4414 6.4414 6.6387 6.6387 6.9366 6.9366 7.3927 7.3927 12.1364 12.1364 13.7930 13.7930 14.2347 14.2347 14.7529 14.7529 k = 0.5695-0.1372-1.0811 ( 2273 PWs) bands (ev): -38.8179 -38.8179 -20.9492 -20.9492 -18.0353 -18.0353 -17.5431 -17.5431 -17.3474 -17.3474 -7.6667 -7.6667 -7.3045 -7.3045 -5.2412 -5.2412 -4.5423 -4.5423 -4.2456 -4.2456 4.8347 4.8347 5.9042 5.9042 6.4609 6.4609 6.6125 6.6125 6.9594 6.9594 7.4107 7.4107 12.0926 12.0926 13.7948 13.7948 14.2481 14.2481 14.7042 14.7042 k = 0.5646-0.1181-1.0811 ( 2275 PWs) bands (ev): -38.8182 -38.8182 -20.9505 -20.9505 -18.0381 -18.0381 -17.5432 -17.5432 -17.3409 -17.3409 -7.6775 -7.6775 -7.2996 -7.2996 -5.2486 -5.2486 -4.5242 -4.5242 -4.2431 -4.2431 4.8038 4.8038 5.9219 5.9219 6.4765 6.4765 6.5861 6.5861 6.9847 6.9847 7.4276 7.4276 12.0494 12.0494 13.7968 13.7968 14.2612 14.2612 14.6586 14.6586 k = 0.5596-0.0990-1.0811 ( 2281 PWs) bands (ev): -38.8185 -38.8185 -20.9518 -20.9518 -18.0408 -18.0408 -17.5434 -17.5434 -17.3347 -17.3347 -7.6877 -7.6877 -7.2950 -7.2950 -5.2553 -5.2553 -4.5072 -4.5072 -4.2406 -4.2406 4.7748 4.7748 5.9402 5.9402 6.4885 6.4885 6.5598 6.5598 7.0118 7.0118 7.4435 7.4435 12.0075 12.0075 13.7988 13.7988 14.2738 14.2738 14.6162 14.6162 k = 0.5546-0.0799-1.0811 ( 2277 PWs) bands (ev): -38.8188 -38.8188 -20.9531 -20.9531 -18.0433 -18.0433 -17.5435 -17.5435 -17.3286 -17.3286 -7.6974 -7.6974 -7.2907 -7.2907 -5.2616 -5.2616 -4.4914 -4.4914 -4.2379 -4.2379 4.7477 4.7477 5.9593 5.9593 6.4973 6.4973 6.5338 6.5338 7.0399 7.0399 7.4582 7.4582 11.9671 11.9671 13.8008 13.8008 14.2859 14.2859 14.5771 14.5771 k = 0.5497-0.0608-1.0811 ( 2275 PWs) bands (ev): -38.8191 -38.8191 -20.9542 -20.9542 -18.0457 -18.0457 -17.5437 -17.5437 -17.3229 -17.3229 -7.7064 -7.7064 -7.2868 -7.2868 -5.2673 -5.2673 -4.4768 -4.4768 -4.2352 -4.2352 4.7227 4.7227 5.9790 5.9790 6.5004 6.5004 6.5111 6.5111 7.0681 7.0681 7.4717 7.4717 11.9287 11.9287 13.8025 13.8025 14.2973 14.2973 14.5414 14.5414 k = 0.5447-0.0417-1.0811 ( 2272 PWs) bands (ev): -38.8194 -38.8194 -20.9553 -20.9553 -18.0479 -18.0479 -17.5439 -17.5439 -17.3176 -17.3176 -7.7147 -7.7147 -7.2832 -7.2832 -5.2725 -5.2725 -4.4635 -4.4635 -4.2325 -4.2325 4.6999 4.6999 5.9992 5.9992 6.4794 6.4794 6.5107 6.5107 7.0959 7.0959 7.4840 7.4840 11.8926 11.8926 13.8040 13.8040 14.3080 14.3080 14.5093 14.5093 k = 0.5397-0.0227-1.0811 ( 2272 PWs) bands (ev): -38.8196 -38.8196 -20.9562 -20.9562 -18.0500 -18.0500 -17.5441 -17.5441 -17.3127 -17.3127 -7.7223 -7.7223 -7.2801 -7.2801 -5.2772 -5.2772 -4.4517 -4.4517 -4.2297 -4.2297 4.6793 4.6793 6.0198 6.0198 6.4538 6.4538 6.5136 6.5136 7.1225 7.1225 7.4950 7.4950 11.8593 11.8593 13.8051 13.8051 14.3178 14.3178 14.4806 14.4806 k = 0.5348-0.0036-1.0811 ( 2276 PWs) bands (ev): -38.8198 -38.8198 -20.9571 -20.9571 -18.0518 -18.0518 -17.5443 -17.5443 -17.3083 -17.3083 -7.7291 -7.7291 -7.2772 -7.2772 -5.2813 -5.2813 -4.4412 -4.4412 -4.2271 -4.2271 4.6609 4.6609 6.0407 6.0407 6.4282 6.4282 6.5158 6.5158 7.1472 7.1472 7.5048 7.5048 11.8291 11.8291 13.8059 13.8059 14.3267 14.3267 14.4555 14.4555 k = 0.5298 0.0155-1.0811 ( 2280 PWs) bands (ev): -38.8200 -38.8200 -20.9579 -20.9579 -18.0535 -18.0535 -17.5445 -17.5445 -17.3044 -17.3044 -7.7351 -7.7351 -7.2748 -7.2748 -5.2849 -5.2849 -4.4322 -4.4322 -4.2246 -4.2246 4.6448 4.6448 6.0618 6.0618 6.4031 6.4031 6.5172 6.5172 7.1697 7.1697 7.5133 7.5133 11.8022 11.8022 13.8064 13.8064 14.3347 14.3347 14.4339 14.4339 k = 0.5248 0.0346-1.0811 ( 2274 PWs) bands (ev): -38.8202 -38.8202 -20.9585 -20.9585 -18.0548 -18.0548 -17.5447 -17.5447 -17.3010 -17.3010 -7.7402 -7.7402 -7.2727 -7.2727 -5.2879 -5.2879 -4.4245 -4.4245 -4.2223 -4.2223 4.6312 4.6312 6.0827 6.0827 6.3787 6.3787 6.5181 6.5181 7.1894 7.1894 7.5205 7.5205 11.7790 11.7790 13.8067 13.8067 14.3415 14.3415 14.4158 14.4158 k = 0.5199 0.0537-1.0811 ( 2274 PWs) bands (ev): -38.8203 -38.8203 -20.9591 -20.9591 -18.0560 -18.0560 -17.5448 -17.5448 -17.2983 -17.2983 -7.7444 -7.7444 -7.2710 -7.2710 -5.2904 -5.2904 -4.4184 -4.4184 -4.2203 -4.2203 4.6200 4.6200 6.1031 6.1031 6.3555 6.3555 6.5186 6.5186 7.2060 7.2060 7.5265 7.5265 11.7597 11.7597 13.8067 13.8067 14.3472 14.3472 14.4011 14.4011 k = 0.5149 0.0728-1.0811 ( 2278 PWs) bands (ev): -38.8204 -38.8204 -20.9595 -20.9595 -18.0569 -18.0569 -17.5449 -17.5449 -17.2961 -17.2961 -7.7477 -7.7477 -7.2697 -7.2697 -5.2923 -5.2923 -4.4136 -4.4136 -4.2187 -4.2187 4.6112 4.6112 6.1221 6.1221 6.3343 6.3343 6.5188 6.5188 7.2192 7.2192 7.5311 7.5311 11.7445 11.7445 13.8066 13.8066 14.3517 14.3517 14.3898 14.3898 k = 0.5099 0.0919-1.0811 ( 2284 PWs) bands (ev): -38.8205 -38.8205 -20.9598 -20.9598 -18.0576 -18.0576 -17.5450 -17.5450 -17.2945 -17.2945 -7.7501 -7.7501 -7.2687 -7.2687 -5.2937 -5.2937 -4.4102 -4.4102 -4.2175 -4.2175 4.6049 4.6049 6.1386 6.1386 6.3161 6.3161 6.5190 6.5190 7.2287 7.2287 7.5344 7.5344 11.7334 11.7334 13.8065 13.8065 14.3549 14.3549 14.3818 14.3818 k = 0.5050 0.1110-1.0811 ( 2280 PWs) bands (ev): -38.8205 -38.8205 -20.9600 -20.9600 -18.0579 -18.0579 -17.5451 -17.5451 -17.2935 -17.2935 -7.7515 -7.7515 -7.2681 -7.2681 -5.2945 -5.2945 -4.4081 -4.4081 -4.2167 -4.2167 4.6011 4.6011 6.1505 6.1505 6.3034 6.3034 6.5190 6.5190 7.2345 7.2345 7.5363 7.5363 11.7268 11.7268 13.8064 13.8064 14.3568 14.3568 14.3770 14.3770 k = 0.5000 0.1301-1.0811 ( 2280 PWs) bands (ev): -38.8206 -38.8206 -20.9601 -20.9601 -18.0581 -18.0581 -17.5451 -17.5451 -17.2932 -17.2932 -7.7520 -7.7520 -7.2680 -7.2680 -5.2948 -5.2948 -4.4075 -4.4075 -4.2165 -4.2165 4.5998 4.5998 6.1549 6.1549 6.2987 6.2987 6.5190 6.5190 7.2365 7.2365 7.5370 7.5370 11.7246 11.7246 13.8064 13.8064 14.3574 14.3574 14.3755 14.3755 k = 0.5000 0.1301-1.0811 ( 2280 PWs) bands (ev): -38.8206 -38.8206 -20.9601 -20.9601 -18.0581 -18.0581 -17.5451 -17.5451 -17.2932 -17.2932 -7.7520 -7.7520 -7.2680 -7.2680 -5.2948 -5.2948 -4.4075 -4.4075 -4.2165 -4.2165 4.5998 4.5998 6.1549 6.1549 6.2987 6.2987 6.5190 6.5190 7.2365 7.2365 7.5370 7.5370 11.7246 11.7246 13.8064 13.8064 14.3574 14.3574 14.3755 14.3755 k = 0.5177 0.1347-1.0724 ( 2282 PWs) bands (ev): -38.8206 -38.8206 -20.9601 -20.9601 -18.0580 -18.0580 -17.5451 -17.5451 -17.2932 -17.2932 -7.7524 -7.7524 -7.2674 -7.2674 -5.2948 -5.2948 -4.4075 -4.4075 -4.2165 -4.2165 4.6007 4.6007 6.1530 6.1530 6.2988 6.2988 6.5206 6.5206 7.2363 7.2363 7.5363 7.5363 11.7261 11.7261 13.8066 13.8066 14.3574 14.3574 14.3731 14.3731 k = 0.5353 0.1393-1.0636 ( 2287 PWs) bands (ev): -38.8206 -38.8206 -20.9602 -20.9602 -18.0580 -18.0580 -17.5451 -17.5451 -17.2932 -17.2932 -7.7537 -7.7537 -7.2659 -7.2659 -5.2951 -5.2951 -4.4075 -4.4075 -4.2167 -4.2167 4.6034 4.6034 6.1476 6.1476 6.2993 6.2993 6.5251 6.5251 7.2358 7.2358 7.5342 7.5342 11.7308 11.7308 13.8072 13.8072 14.3571 14.3571 14.3663 14.3663 k = 0.5530 0.1439-1.0549 ( 2289 PWs) bands (ev): -38.8206 -38.8206 -20.9603 -20.9603 -18.0578 -18.0578 -17.5451 -17.5451 -17.2932 -17.2932 -7.7557 -7.7557 -7.2634 -7.2634 -5.2955 -5.2955 -4.4075 -4.4075 -4.2169 -4.2169 4.6079 4.6079 6.1389 6.1389 6.3001 6.3001 6.5325 6.5325 7.2349 7.2349 7.5308 7.5308 11.7386 11.7386 13.8083 13.8083 14.3529 14.3529 14.3586 14.3586 k = 0.5707 0.1485-1.0462 ( 2287 PWs) bands (ev): -38.8206 -38.8206 -20.9604 -20.9604 -18.0576 -18.0576 -17.5450 -17.5450 -17.2932 -17.2932 -7.7584 -7.7584 -7.2599 -7.2599 -5.2960 -5.2960 -4.4075 -4.4075 -4.2172 -4.2172 4.6142 4.6142 6.1274 6.1274 6.3013 6.3013 6.5421 6.5421 7.2336 7.2336 7.5261 7.5261 11.7495 11.7495 13.8097 13.8097 14.3372 14.3372 14.3578 14.3578 k = 0.5883 0.1531-1.0375 ( 2283 PWs) bands (ev): -38.8207 -38.8207 -20.9606 -20.9606 -18.0573 -18.0573 -17.5450 -17.5450 -17.2931 -17.2931 -7.7618 -7.7618 -7.2556 -7.2556 -5.2966 -5.2966 -4.4075 -4.4075 -4.2176 -4.2176 4.6221 4.6221 6.1136 6.1136 6.3028 6.3028 6.5535 6.5535 7.2320 7.2320 7.5201 7.5201 11.7634 11.7634 13.8114 13.8114 14.3163 14.3163 14.3576 14.3576 k = 0.6060 0.1577-1.0287 ( 2282 PWs) bands (ev): -38.8207 -38.8207 -20.9608 -20.9608 -18.0570 -18.0570 -17.5449 -17.5449 -17.2931 -17.2931 -7.7658 -7.7658 -7.2506 -7.2506 -5.2973 -5.2973 -4.4076 -4.4076 -4.2181 -4.2181 4.6317 4.6317 6.0978 6.0978 6.3046 6.3046 6.5663 6.5663 7.2301 7.2301 7.5130 7.5130 11.7803 11.7803 13.8134 13.8134 14.2908 14.2908 14.3574 14.3574 k = 0.6236 0.1623-1.0200 ( 2282 PWs) bands (ev): -38.8208 -38.8208 -20.9610 -20.9610 -18.0567 -18.0567 -17.5448 -17.5448 -17.2930 -17.2930 -7.7703 -7.7703 -7.2450 -7.2450 -5.2981 -5.2981 -4.4076 -4.4076 -4.2186 -4.2186 4.6428 4.6428 6.0805 6.0805 6.3066 6.3066 6.5799 6.5799 7.2279 7.2279 7.5049 7.5049 11.8002 11.8002 13.8155 13.8155 14.2610 14.2610 14.3573 14.3573 k = 0.6413 0.1669-1.0113 ( 2280 PWs) bands (ev): -38.8208 -38.8208 -20.9613 -20.9613 -18.0562 -18.0562 -17.5447 -17.5447 -17.2929 -17.2929 -7.7751 -7.7751 -7.2389 -7.2389 -5.2990 -5.2990 -4.4076 -4.4076 -4.2192 -4.2192 4.6554 4.6554 6.0621 6.0621 6.3089 6.3089 6.5942 6.5942 7.2253 7.2253 7.4958 7.4958 11.8230 11.8230 13.8176 13.8176 14.2271 14.2271 14.3571 14.3571 k = 0.6590 0.1715-1.0026 ( 2282 PWs) bands (ev): -38.8209 -38.8209 -20.9616 -20.9616 -18.0558 -18.0558 -17.5446 -17.5446 -17.2929 -17.2929 -7.7803 -7.7803 -7.2324 -7.2324 -5.2998 -5.2998 -4.4077 -4.4077 -4.2199 -4.2199 4.6694 4.6694 6.0429 6.0429 6.3115 6.3115 6.6086 6.6086 7.2225 7.2225 7.4860 7.4860 11.8486 11.8486 13.8195 13.8195 14.1896 14.1896 14.3569 14.3569 k = 0.6590 0.1715-1.0026 ( 2282 PWs) bands (ev): -38.8209 -38.8209 -20.9616 -20.9616 -18.0558 -18.0558 -17.5446 -17.5446 -17.2929 -17.2929 -7.7803 -7.7803 -7.2324 -7.2324 -5.2998 -5.2998 -4.4077 -4.4077 -4.2199 -4.2199 4.6694 4.6694 6.0429 6.0429 6.3115 6.3115 6.6086 6.6086 7.2225 7.2225 7.4860 7.4860 11.8486 11.8486 13.8195 13.8195 14.1896 14.1896 14.3569 14.3569 k = 0.6560 0.1707-0.9826 ( 2284 PWs) bands (ev): -38.8212 -38.8212 -20.9629 -20.9629 -18.0539 -18.0539 -17.5443 -17.5443 -17.2927 -17.2927 -7.7775 -7.7775 -7.2381 -7.2381 -5.2955 -5.2955 -4.4063 -4.4063 -4.2188 -4.2188 4.6761 4.6761 6.0363 6.0363 6.3086 6.3086 6.6003 6.6003 7.2262 7.2262 7.5030 7.5030 11.8464 11.8464 13.8214 13.8214 14.1949 14.1949 14.3524 14.3524 k = 0.6531 0.1699-0.9625 ( 2278 PWs) bands (ev): -38.8216 -38.8216 -20.9645 -20.9645 -18.0513 -18.0513 -17.5439 -17.5439 -17.2923 -17.2923 -7.7741 -7.7741 -7.2450 -7.2450 -5.2897 -5.2897 -4.4045 -4.4045 -4.2176 -4.2176 4.6856 4.6856 6.0270 6.0270 6.3055 6.3055 6.5931 6.5931 7.2301 7.2301 7.5207 7.5207 11.8469 11.8469 13.8225 13.8225 14.2006 14.2006 14.3466 14.3466 k = 0.6501 0.1692-0.9425 ( 2278 PWs) bands (ev): -38.8221 -38.8221 -20.9666 -20.9666 -18.0482 -18.0482 -17.5435 -17.5435 -17.2920 -17.2920 -7.7704 -7.7704 -7.2532 -7.2532 -5.2823 -5.2823 -4.4024 -4.4024 -4.2163 -4.2163 4.6976 4.6976 6.0152 6.0152 6.3022 6.3022 6.5870 6.5870 7.2342 7.2342 7.5388 7.5388 11.8500 11.8500 13.8228 13.8228 14.2064 14.2064 14.3396 14.3396 k = 0.6472 0.1684-0.9225 ( 2276 PWs) bands (ev): -38.8227 -38.8227 -20.9690 -20.9690 -18.0445 -18.0445 -17.5429 -17.5429 -17.2915 -17.2915 -7.7664 -7.7664 -7.2626 -7.2626 -5.2734 -5.2734 -4.4000 -4.4000 -4.2149 -4.2149 4.7122 4.7122 6.0012 6.0012 6.2986 6.2986 6.5820 6.5820 7.2385 7.2385 7.5575 7.5575 11.8557 11.8557 13.8222 13.8222 14.2123 14.2123 14.3314 14.3314 k = 0.6443 0.1676-0.9025 ( 2274 PWs) bands (ev): -38.8233 -38.8233 -20.9718 -20.9718 -18.0403 -18.0403 -17.5422 -17.5422 -17.2909 -17.2909 -7.7619 -7.7619 -7.2731 -7.2731 -5.2629 -5.2629 -4.3973 -4.3973 -4.2135 -4.2135 4.7293 4.7293 5.9852 5.9852 6.2948 6.2948 6.5780 6.5780 7.2432 7.2432 7.5765 7.5765 11.8639 11.8639 13.8208 13.8208 14.2179 14.2179 14.3220 14.3220 k = 0.6413 0.1669-0.8825 ( 2267 PWs) bands (ev): -38.8241 -38.8241 -20.9750 -20.9750 -18.0356 -18.0356 -17.5413 -17.5413 -17.2902 -17.2902 -7.7573 -7.7573 -7.2847 -7.2847 -5.2509 -5.2509 -4.3942 -4.3942 -4.2120 -4.2120 4.7486 4.7486 5.9675 5.9675 6.2907 6.2907 6.5749 6.5749 7.2481 7.2481 7.5959 7.5959 11.8748 11.8748 13.8186 13.8186 14.2231 14.2231 14.3114 14.3114 k = 0.6384 0.1661-0.8624 ( 2273 PWs) bands (ev): -38.8249 -38.8249 -20.9785 -20.9785 -18.0304 -18.0304 -17.5404 -17.5404 -17.2895 -17.2895 -7.7525 -7.7525 -7.2973 -7.2973 -5.2373 -5.2373 -4.3909 -4.3909 -4.2104 -4.2104 4.7700 4.7700 5.9484 5.9484 6.2861 6.2861 6.5725 6.5725 7.2534 7.2534 7.6155 7.6155 11.8880 11.8880 13.8156 13.8156 14.2275 14.2275 14.2996 14.2996 k = 0.6354 0.1653-0.8424 ( 2277 PWs) bands (ev): -38.8259 -38.8259 -20.9824 -20.9824 -18.0247 -18.0247 -17.5393 -17.5393 -17.2887 -17.2887 -7.7476 -7.7476 -7.3107 -7.3107 -5.2223 -5.2223 -4.3873 -4.3873 -4.2087 -4.2087 4.7933 4.7933 5.9282 5.9282 6.2812 6.2812 6.5708 6.5708 7.2592 7.2592 7.6353 7.6353 11.9037 11.9037 13.8118 13.8118 14.2310 14.2310 14.2866 14.2866 k = 0.6325 0.1646-0.8224 ( 2279 PWs) bands (ev): -38.8269 -38.8269 -20.9866 -20.9866 -18.0187 -18.0187 -17.5380 -17.5380 -17.2877 -17.2877 -7.7428 -7.7428 -7.3247 -7.3247 -5.2057 -5.2057 -4.3835 -4.3835 -4.2070 -4.2070 4.8184 4.8184 5.9074 5.9074 6.2759 6.2759 6.5697 6.5697 7.2654 7.2654 7.6551 7.6551 11.9216 11.9216 13.8073 13.8073 14.2331 14.2331 14.2724 14.2724 k = 0.6295 0.1638-0.8024 ( 2281 PWs) bands (ev): -38.8280 -38.8280 -20.9912 -20.9912 -18.0122 -18.0122 -17.5365 -17.5365 -17.2866 -17.2866 -7.7383 -7.7383 -7.3392 -7.3392 -5.1876 -5.1876 -4.3794 -4.3794 -4.2052 -4.2052 4.8451 4.8451 5.8862 5.8862 6.2700 6.2700 6.5691 6.5691 7.2722 7.2722 7.6749 7.6749 11.9418 11.9418 13.8023 13.8023 14.2336 14.2336 14.2571 14.2571 k = 0.6266 0.1630-0.7824 ( 2279 PWs) bands (ev): -38.8291 -38.8291 -20.9960 -20.9960 -18.0055 -18.0055 -17.5349 -17.5349 -17.2854 -17.2854 -7.7344 -7.7344 -7.3539 -7.3539 -5.1681 -5.1681 -4.3751 -4.3751 -4.2033 -4.2033 4.8730 4.8730 5.8649 5.8649 6.2637 6.2637 6.5691 6.5691 7.2796 7.2796 7.6945 7.6945 11.9641 11.9641 13.7966 13.7966 14.2316 14.2316 14.2411 14.2411 k = 0.6236 0.1623-0.7623 ( 2273 PWs) bands (ev): -38.8304 -38.8304 -21.0011 -21.0011 -17.9984 -17.9984 -17.5329 -17.5329 -17.2841 -17.2841 -7.7312 -7.7312 -7.3684 -7.3684 -5.1472 -5.1472 -4.3706 -4.3706 -4.2013 -4.2013 4.9019 4.9019 5.8437 5.8437 6.2569 6.2569 6.5699 6.5699 7.2877 7.2877 7.7136 7.7136 11.9885 11.9885 13.7905 13.7905 14.2209 14.2209 14.2305 14.2305 k = 0.6207 0.1615-0.7423 ( 2277 PWs) bands (ev): -38.8317 -38.8317 -21.0065 -21.0065 -17.9912 -17.9912 -17.5308 -17.5308 -17.2826 -17.2826 -7.7294 -7.7294 -7.3824 -7.3824 -5.1249 -5.1249 -4.3660 -4.3660 -4.1993 -4.1993 4.9316 4.9316 5.8229 5.8229 6.2494 6.2494 6.5714 6.5714 7.2964 7.2964 7.7322 7.7322 12.0146 12.0146 13.7839 13.7839 14.2024 14.2024 14.2238 14.2238 k = 0.6178 0.1607-0.7223 ( 2280 PWs) bands (ev): -38.8330 -38.8330 -21.0121 -21.0121 -17.9838 -17.9838 -17.5284 -17.5284 -17.2810 -17.2810 -7.7291 -7.7291 -7.3953 -7.3953 -5.1013 -5.1013 -4.3613 -4.3613 -4.1971 -4.1971 4.9618 4.9618 5.8027 5.8027 6.2413 6.2413 6.5739 6.5739 7.3060 7.3060 7.7500 7.7500 12.0426 12.0426 13.7770 13.7770 14.1822 14.1822 14.2150 14.2150 k = 0.6148 0.1600-0.7023 ( 2284 PWs) bands (ev): -38.8345 -38.8345 -21.0180 -21.0180 -17.9764 -17.9764 -17.5257 -17.5257 -17.2793 -17.2793 -7.7310 -7.7310 -7.4067 -7.4067 -5.0765 -5.0765 -4.3565 -4.3565 -4.1947 -4.1947 4.9921 4.9921 5.7833 5.7833 6.2326 6.2326 6.5776 6.5776 7.3163 7.3163 7.7668 7.7668 12.0721 12.0721 13.7698 13.7698 14.1607 14.1607 14.2034 14.2034 k = 0.6119 0.1592-0.6823 ( 2280 PWs) bands (ev): -38.8359 -38.8359 -21.0241 -21.0241 -17.9688 -17.9688 -17.5227 -17.5227 -17.2774 -17.2774 -7.7353 -7.7353 -7.4161 -7.4161 -5.0506 -5.0506 -4.3516 -4.3516 -4.1922 -4.1922 5.0223 5.0223 5.7647 5.7647 6.2232 6.2232 6.5828 6.5828 7.3274 7.3274 7.7823 7.7823 12.1030 12.1030 13.7625 13.7625 14.1380 14.1380 14.1887 14.1887 k = 0.6089 0.1584-0.6622 ( 2280 PWs) bands (ev): -38.8375 -38.8375 -21.0303 -21.0303 -17.9613 -17.9613 -17.5193 -17.5193 -17.2753 -17.2753 -7.7426 -7.7426 -7.4230 -7.4230 -5.0235 -5.0235 -4.3468 -4.3468 -4.1896 -4.1896 5.0521 5.0521 5.7472 5.7472 6.2132 6.2132 6.5897 6.5897 7.3394 7.3394 7.7965 7.7965 12.1352 12.1352 13.7551 13.7551 14.1141 14.1141 14.1708 14.1708 k = 0.6060 0.1577-0.6422 ( 2280 PWs) bands (ev): -38.8390 -38.8390 -21.0368 -21.0368 -17.9538 -17.9538 -17.5156 -17.5156 -17.2731 -17.2731 -7.7531 -7.7531 -7.4272 -7.4272 -4.9955 -4.9955 -4.3419 -4.3419 -4.1867 -4.1867 5.0811 5.0811 5.7308 5.7308 6.2026 6.2026 6.5988 6.5988 7.3523 7.3523 7.8089 7.8089 12.1685 12.1685 13.7476 13.7476 14.0891 14.0891 14.1499 14.1499 k = 0.6030 0.1569-0.6222 ( 2277 PWs) bands (ev): -38.8406 -38.8406 -21.0434 -21.0434 -17.9465 -17.9465 -17.5115 -17.5115 -17.2707 -17.2707 -7.7668 -7.7668 -7.4285 -7.4285 -4.9666 -4.9666 -4.3371 -4.3371 -4.1836 -4.1836 5.1091 5.1091 5.7154 5.7154 6.1913 6.1913 6.6102 6.6102 7.3660 7.3660 7.8194 7.8194 12.2027 12.2027 13.7401 13.7401 14.0629 14.0629 14.1261 14.1261 k = 0.6001 0.1561-0.6022 ( 2275 PWs) bands (ev): -38.8423 -38.8423 -21.0501 -21.0501 -17.9394 -17.9394 -17.5070 -17.5070 -17.2681 -17.2681 -7.7835 -7.7835 -7.4270 -7.4270 -4.9369 -4.9369 -4.3324 -4.3324 -4.1803 -4.1803 5.1359 5.1359 5.7012 5.7012 6.1794 6.1794 6.6243 6.6243 7.3806 7.3806 7.8278 7.8278 12.2376 12.2376 13.7327 13.7327 14.0356 14.0356 14.0995 14.0995 k = 0.5971 0.1554-0.5822 ( 2271 PWs) bands (ev): -38.8439 -38.8439 -21.0569 -21.0569 -17.9325 -17.9325 -17.5021 -17.5021 -17.2653 -17.2653 -7.8030 -7.8030 -7.4231 -7.4231 -4.9065 -4.9065 -4.3278 -4.3278 -4.1767 -4.1767 5.1612 5.1612 5.6881 5.6881 6.1669 6.1669 6.6413 6.6413 7.3960 7.3960 7.8338 7.8338 12.2729 12.2729 13.7253 13.7253 14.0074 14.0074 14.0706 14.0706 k = 0.5942 0.1546-0.5621 ( 2271 PWs) bands (ev): -38.8456 -38.8456 -21.0639 -21.0639 -17.9259 -17.9259 -17.4968 -17.4968 -17.2624 -17.2624 -7.8250 -7.8250 -7.4170 -7.4170 -4.8755 -4.8755 -4.3233 -4.3233 -4.1729 -4.1729 5.1850 5.1850 5.6760 5.6760 6.1539 6.1539 6.6616 6.6616 7.4122 7.4122 7.8372 7.8372 12.3085 12.3085 13.7180 13.7180 13.9781 13.9781 14.0395 14.0395 k = 0.5913 0.1538-0.5421 ( 2273 PWs) bands (ev): -38.8473 -38.8473 -21.0709 -21.0709 -17.9196 -17.9196 -17.4911 -17.4911 -17.2593 -17.2593 -7.8488 -7.8488 -7.4090 -7.4090 -4.8442 -4.8442 -4.3190 -4.3190 -4.1687 -4.1687 5.2072 5.2072 5.6647 5.6647 6.1403 6.1403 6.6852 6.6852 7.4292 7.4292 7.8379 7.8379 12.3441 12.3441 13.7108 13.7108 13.9479 13.9479 14.0068 14.0068 k = 0.5883 0.1531-0.5221 ( 2277 PWs) bands (ev): -38.8491 -38.8491 -21.0779 -21.0779 -17.9138 -17.9138 -17.4850 -17.4850 -17.2560 -17.2560 -7.8744 -7.8744 -7.3995 -7.3995 -4.8125 -4.8125 -4.3148 -4.3148 -4.1643 -4.1643 5.2279 5.2279 5.6542 5.6542 6.1263 6.1263 6.7124 6.7124 7.4470 7.4470 7.8357 7.8357 12.3794 12.3794 13.7035 13.7035 13.9169 13.9169 13.9729 13.9729 k = 0.5854 0.1523-0.5021 ( 2273 PWs) bands (ev): -38.8508 -38.8508 -21.0850 -21.0850 -17.9083 -17.9083 -17.4785 -17.4785 -17.2524 -17.2524 -7.9012 -7.9012 -7.3888 -7.3888 -4.7807 -4.7807 -4.3107 -4.3107 -4.1595 -4.1595 5.2472 5.2472 5.6442 5.6442 6.1119 6.1119 6.7431 6.7431 7.4655 7.4655 7.8305 7.8305 12.4143 12.4143 13.6961 13.6961 13.8852 13.8852 13.9384 13.9384 k = 0.5824 0.1515-0.4821 ( 2270 PWs) bands (ev): -38.8525 -38.8525 -21.0920 -21.0920 -17.9032 -17.9032 -17.4717 -17.4717 -17.2487 -17.2487 -7.9290 -7.9290 -7.3770 -7.3770 -4.7489 -4.7489 -4.3067 -4.3067 -4.1544 -4.1544 5.2653 5.2653 5.6345 5.6345 6.0971 6.0971 6.7773 6.7773 7.4846 7.4846 7.8222 7.8222 12.4485 12.4485 13.6883 13.6883 13.8528 13.8528 13.9037 13.9037 k = 0.5795 0.1508-0.4620 ( 2275 PWs) bands (ev): -38.8543 -38.8543 -21.0991 -21.0991 -17.8986 -17.8986 -17.4647 -17.4647 -17.2447 -17.2447 -7.9575 -7.9575 -7.3646 -7.3646 -4.7174 -4.7174 -4.3027 -4.3027 -4.1490 -4.1490 5.2824 5.2824 5.6251 5.6251 6.0821 6.0821 6.8148 6.8148 7.5042 7.5042 7.8108 7.8108 12.4816 12.4816 13.6799 13.6799 13.8198 13.8198 13.8694 13.8694 k = 0.5765 0.1500-0.4420 ( 2271 PWs) bands (ev): -38.8560 -38.8560 -21.1061 -21.1061 -17.8944 -17.8944 -17.4573 -17.4573 -17.2406 -17.2406 -7.9864 -7.9864 -7.3514 -7.3514 -4.6861 -4.6861 -4.2986 -4.2986 -4.1433 -4.1433 5.2989 5.2989 5.6158 5.6158 6.0668 6.0668 6.8555 6.8555 7.5244 7.5244 7.7961 7.7961 12.5136 12.5136 13.6704 13.6704 13.7864 13.7864 13.8364 13.8364 k = 0.5736 0.1492-0.4220 ( 2269 PWs) bands (ev): -38.8577 -38.8577 -21.1130 -21.1130 -17.8906 -17.8906 -17.4497 -17.4497 -17.2362 -17.2362 -8.0157 -8.0157 -7.3379 -7.3379 -4.6555 -4.6555 -4.2944 -4.2944 -4.1374 -4.1374 5.3149 5.3149 5.6064 5.6064 6.0514 6.0514 6.8990 6.8990 7.5449 7.5449 7.7783 7.7783 12.5440 12.5440 13.6590 13.6590 13.7527 13.7527 13.8055 13.8055 k = 0.5707 0.1485-0.4020 ( 2270 PWs) bands (ev): -38.8594 -38.8594 -21.1199 -21.1199 -17.8873 -17.8873 -17.4420 -17.4420 -17.2316 -17.2316 -8.0450 -8.0450 -7.3241 -7.3241 -4.6257 -4.6257 -4.2899 -4.2899 -4.1312 -4.1312 5.3308 5.3308 5.5969 5.5969 6.0360 6.0360 6.9451 6.9451 7.5658 7.5658 7.7574 7.7574 12.5727 12.5727 13.6450 13.6450 13.7187 13.7187 13.7778 13.7778 k = 0.5677 0.1477-0.3820 ( 2270 PWs) bands (ev): -38.8611 -38.8611 -21.1266 -21.1266 -17.8844 -17.8844 -17.4343 -17.4343 -17.2269 -17.2269 -8.0742 -8.0742 -7.3101 -7.3101 -4.5970 -4.5970 -4.2851 -4.2851 -4.1247 -4.1247 5.3468 5.3468 5.5872 5.5872 6.0205 6.0205 6.9934 6.9934 7.5868 7.5868 7.7336 7.7336 12.5995 12.5995 13.6275 13.6275 13.6846 13.6846 13.7542 13.7542 k = 0.5648 0.1469-0.3619 ( 2261 PWs) bands (ev): -38.8627 -38.8627 -21.1332 -21.1332 -17.8818 -17.8818 -17.4264 -17.4264 -17.2218 -17.2218 -8.1032 -8.1032 -7.2961 -7.2961 -4.5696 -4.5696 -4.2796 -4.2796 -4.1181 -4.1181 5.3632 5.3632 5.5774 5.5774 6.0052 6.0052 7.0433 7.0433 7.6079 7.6079 7.7071 7.7071 12.6241 12.6241 13.6062 13.6062 13.6505 13.6505 13.7353 13.7353 k = 0.5618 0.1462-0.3419 ( 2261 PWs) bands (ev): -38.8644 -38.8644 -21.1397 -21.1397 -17.8797 -17.8797 -17.4187 -17.4187 -17.2167 -17.2167 -8.1318 -8.1318 -7.2821 -7.2821 -4.5440 -4.5440 -4.2733 -4.2733 -4.1113 -4.1113 5.3802 5.3802 5.5674 5.5674 5.9899 5.9899 7.0943 7.0943 7.6283 7.6283 7.6789 7.6789 12.6464 12.6464 13.5817 13.5817 13.6166 13.6166 13.7205 13.7205 k = 0.5589 0.1454-0.3219 ( 2261 PWs) bands (ev): -38.8659 -38.8659 -21.1460 -21.1460 -17.8778 -17.8778 -17.4111 -17.4111 -17.2113 -17.2113 -8.1599 -8.1599 -7.2682 -7.2682 -4.5202 -4.5202 -4.2661 -4.2661 -4.1043 -4.1043 5.3978 5.3978 5.5573 5.5573 5.9748 5.9748 7.1458 7.1458 7.6382 7.6382 7.6590 7.6590 12.6661 12.6661 13.5551 13.5551 13.5830 13.5830 13.7089 13.7089 k = 0.5559 0.1446-0.3019 ( 2261 PWs) bands (ev): -38.8675 -38.8675 -21.1521 -21.1521 -17.8763 -17.8763 -17.4036 -17.4036 -17.2058 -17.2058 -8.1874 -8.1874 -7.2545 -7.2545 -4.4987 -4.4987 -4.2578 -4.2578 -4.0971 -4.0971 5.4163 5.4163 5.5472 5.5472 5.9600 5.9600 7.1969 7.1969 7.6112 7.6112 7.6746 7.6746 12.6833 12.6833 13.5275 13.5275 13.5498 13.5498 13.6995 13.6995 k = 0.5530 0.1439-0.2819 ( 2263 PWs) bands (ev): -38.8689 -38.8689 -21.1581 -21.1581 -17.8751 -17.8751 -17.3964 -17.3964 -17.2001 -17.2001 -8.2142 -8.2142 -7.2411 -7.2411 -4.4797 -4.4797 -4.2482 -4.2482 -4.0898 -4.0898 5.4356 5.4356 5.5372 5.5372 5.9455 5.9455 7.2462 7.2462 7.5791 7.5791 7.6948 7.6948 12.6978 12.6978 13.4995 13.4995 13.5172 13.5172 13.6917 13.6917 k = 0.5500 0.1431-0.2618 ( 2263 PWs) bands (ev): -38.8704 -38.8704 -21.1638 -21.1638 -17.8742 -17.8742 -17.3895 -17.3895 -17.1943 -17.1943 -8.2401 -8.2401 -7.2280 -7.2280 -4.4632 -4.4632 -4.2373 -4.2373 -4.0823 -4.0823 5.4558 5.4558 5.5274 5.5274 5.9314 5.9314 7.2911 7.2911 7.5487 7.5487 7.7153 7.7153 12.7096 12.7096 13.4718 13.4718 13.4854 13.4854 13.6850 13.6850 k = 0.5471 0.1423-0.2418 ( 2267 PWs) bands (ev): -38.8717 -38.8717 -21.1693 -21.1693 -17.8734 -17.8734 -17.3829 -17.3829 -17.1885 -17.1885 -8.2650 -8.2650 -7.2153 -7.2153 -4.4493 -4.4493 -4.2254 -4.2254 -4.0747 -4.0747 5.4764 5.4764 5.5184 5.5184 5.9178 5.9178 7.3260 7.3260 7.5260 7.5260 7.7354 7.7354 12.7189 12.7189 13.4447 13.4447 13.4545 13.4545 13.6792 13.6792 k = 0.5442 0.1416-0.2218 ( 2263 PWs) bands (ev): -38.8731 -38.8731 -21.1745 -21.1745 -17.8729 -17.8729 -17.3766 -17.3766 -17.1826 -17.1826 -8.2889 -8.2889 -7.2031 -7.2031 -4.4378 -4.4378 -4.2125 -4.2125 -4.0670 -4.0670 5.4941 5.4941 5.5135 5.5135 5.9048 5.9048 7.3408 7.3408 7.5211 7.5211 7.7550 7.7550 12.7258 12.7258 13.4183 13.4183 13.4246 13.4246 13.6740 13.6740 k = 0.5412 0.1408-0.2018 ( 2259 PWs) bands (ev): -38.8743 -38.8743 -21.1794 -21.1794 -17.8725 -17.8725 -17.3707 -17.3707 -17.1767 -17.1767 -8.3117 -8.3117 -7.1914 -7.1914 -4.4285 -4.4285 -4.1991 -4.1991 -4.0591 -4.0591 5.4940 5.4940 5.5277 5.5277 5.8923 5.8923 7.3297 7.3297 7.5398 7.5398 7.7740 7.7740 12.7305 12.7305 13.3927 13.3927 13.3961 13.3961 13.6695 13.6695 k = 0.5383 0.1401-0.1818 ( 2251 PWs) bands (ev): -38.8755 -38.8755 -21.1841 -21.1841 -17.8722 -17.8722 -17.3652 -17.3652 -17.1708 -17.1708 -8.3333 -8.3333 -7.1803 -7.1803 -4.4210 -4.4210 -4.1856 -4.1856 -4.0510 -4.0510 5.4863 5.4863 5.5507 5.5507 5.8805 5.8805 7.3008 7.3008 7.5739 7.5739 7.7923 7.7923 12.7332 12.7332 13.3672 13.3672 13.3696 13.3696 13.6657 13.6657 k = 0.5353 0.1393-0.1617 ( 2250 PWs) bands (ev): -38.8766 -38.8766 -21.1885 -21.1885 -17.8721 -17.8721 -17.3601 -17.3601 -17.1652 -17.1652 -8.3536 -8.3536 -7.1698 -7.1698 -4.4152 -4.4152 -4.1724 -4.1724 -4.0428 -4.0428 5.4780 5.4780 5.5753 5.5753 5.8693 5.8693 7.2637 7.2637 7.6139 7.6139 7.8098 7.8098 12.7343 12.7343 13.3417 13.3417 13.3456 13.3456 13.6624 13.6624 k = 0.5324 0.1385-0.1417 ( 2252 PWs) bands (ev): -38.8776 -38.8776 -21.1926 -21.1926 -17.8721 -17.8721 -17.3555 -17.3555 -17.1597 -17.1597 -8.3726 -8.3726 -7.1600 -7.1600 -4.4106 -4.4106 -4.1599 -4.1599 -4.0345 -4.0345 5.4699 5.4699 5.6007 5.6007 5.8588 5.8588 7.2230 7.2230 7.6553 7.6553 7.8263 7.8263 12.7340 12.7340 13.3173 13.3173 13.3229 13.3229 13.6597 13.6597 k = 0.5294 0.1378-0.1217 ( 2254 PWs) bands (ev): -38.8786 -38.8786 -21.1964 -21.1964 -17.8722 -17.8722 -17.3512 -17.3512 -17.1544 -17.1544 -8.3901 -8.3901 -7.1509 -7.1509 -4.4071 -4.4071 -4.1482 -4.1482 -4.0261 -4.0261 5.4623 5.4623 5.6264 5.6264 5.8491 5.8491 7.1811 7.1811 7.6958 7.6958 7.8419 7.8419 12.7328 12.7328 13.2945 13.2945 13.3013 13.3013 13.6576 13.6576 k = 0.5265 0.1370-0.1017 ( 2254 PWs) bands (ev): -38.8794 -38.8794 -21.1998 -21.1998 -17.8723 -17.8723 -17.3475 -17.3475 -17.1495 -17.1495 -8.4062 -8.4062 -7.1425 -7.1425 -4.4044 -4.4044 -4.1376 -4.1376 -4.0179 -4.0179 5.4553 5.4553 5.6521 5.6521 5.8402 5.8402 7.1394 7.1394 7.7342 7.7342 7.8564 7.8564 12.7309 12.7309 13.2735 13.2735 13.2810 13.2810 13.6560 13.6560 k = 0.5236 0.1362-0.0817 ( 2254 PWs) bands (ev): -38.8802 -38.8802 -21.2029 -21.2029 -17.8724 -17.8724 -17.3441 -17.3441 -17.1449 -17.1449 -8.4207 -8.4207 -7.1349 -7.1349 -4.4024 -4.4024 -4.1283 -4.1283 -4.0098 -4.0098 5.4489 5.4489 5.6773 5.6773 5.8322 5.8322 7.0988 7.0988 7.7699 7.7699 7.8697 7.8697 12.7286 12.7286 13.2544 13.2544 13.2618 13.2618 13.6548 13.6548 k = 0.5206 0.1355-0.0616 ( 2250 PWs) bands (ev): -38.8809 -38.8809 -21.2057 -21.2057 -17.8726 -17.8726 -17.3411 -17.3411 -17.1407 -17.1407 -8.4336 -8.4336 -7.1281 -7.1281 -4.4008 -4.4008 -4.1201 -4.1201 -4.0021 -4.0021 5.4431 5.4431 5.7017 5.7017 5.8250 5.8250 7.0602 7.0602 7.8021 7.8021 7.8819 7.8819 12.7262 12.7262 13.2373 13.2373 13.2442 13.2442 13.6540 13.6540 k = 0.5177 0.1347-0.0416 ( 2246 PWs) bands (ev): -38.8815 -38.8815 -21.2081 -21.2081 -17.8727 -17.8727 -17.3385 -17.3385 -17.1370 -17.1370 -8.4449 -8.4449 -7.1222 -7.1222 -4.3997 -4.3997 -4.1132 -4.1132 -3.9950 -3.9950 5.4380 5.4380 5.7247 5.7247 5.8189 5.8189 7.0244 7.0244 7.8305 7.8305 7.8930 7.8930 12.7238 12.7238 13.2222 13.2222 13.2282 13.2282 13.6535 13.6535 k = 0.5147 0.1339-0.0216 ( 2242 PWs) bands (ev): -38.8820 -38.8820 -21.2101 -21.2101 -17.8729 -17.8729 -17.3364 -17.3364 -17.1337 -17.1337 -8.4545 -8.4545 -7.1172 -7.1172 -4.3988 -4.3988 -4.1075 -4.1075 -3.9886 -3.9886 5.4336 5.4336 5.7456 5.7456 5.8137 5.8137 6.9922 6.9922 7.8544 7.8544 7.9031 7.9031 12.7217 12.7217 13.2094 13.2094 13.2141 13.2141 13.6533 13.6533 k = 0.5118 0.1332-0.0016 ( 2237 PWs) bands (ev): -38.8825 -38.8825 -21.2118 -21.2118 -17.8730 -17.8730 -17.3346 -17.3346 -17.1310 -17.1310 -8.4624 -8.4624 -7.1130 -7.1130 -4.3982 -4.3982 -4.1029 -4.1029 -3.9832 -3.9832 5.4300 5.4300 5.7637 5.7637 5.8097 5.8097 6.9645 6.9645 7.8736 7.8736 7.9122 7.9122 12.7199 12.7199 13.1987 13.1987 13.2021 13.2021 13.6532 13.6532 k = 0.5088 0.1324 0.0184 ( 2237 PWs) bands (ev): -38.8828 -38.8828 -21.2131 -21.2131 -17.8731 -17.8731 -17.3333 -17.3333 -17.1289 -17.1289 -8.4686 -8.4686 -7.1097 -7.1097 -4.3978 -4.3978 -4.0994 -4.0994 -3.9788 -3.9788 5.4272 5.4272 5.7782 5.7782 5.8069 5.8069 6.9419 6.9419 7.8877 7.8877 7.9204 7.9204 12.7184 12.7184 13.1904 13.1904 13.1924 13.1924 13.6532 13.6532 k = 0.5059 0.1316 0.0385 ( 2233 PWs) bands (ev): -38.8830 -38.8830 -21.2141 -21.2141 -17.8732 -17.8732 -17.3323 -17.3323 -17.1273 -17.1273 -8.4731 -8.4731 -7.1074 -7.1074 -4.3975 -4.3975 -4.0969 -4.0969 -3.9755 -3.9755 5.4252 5.4252 5.7881 5.7881 5.8059 5.8059 6.9252 6.9252 7.8969 7.8969 7.9272 7.9272 12.7174 12.7174 13.1844 13.1844 13.1854 13.1854 13.6532 13.6532 k = 0.5029 0.1309 0.0585 ( 2226 PWs) bands (ev): -38.8832 -38.8832 -21.2146 -21.2146 -17.8732 -17.8732 -17.3317 -17.3317 -17.1264 -17.1264 -8.4757 -8.4757 -7.1060 -7.1060 -4.3973 -4.3973 -4.0955 -4.0955 -3.9735 -3.9735 5.4240 5.4240 5.7928 5.7928 5.8069 5.8069 6.9149 6.9149 7.9021 7.9021 7.9318 7.9318 12.7168 12.7168 13.1807 13.1807 13.1812 13.1812 13.6533 13.6533 k = 0.5000 0.1301 0.0785 ( 2228 PWs) bands (ev): -38.8832 -38.8832 -21.2148 -21.2148 -17.8733 -17.8733 -17.3315 -17.3315 -17.1261 -17.1261 -8.4766 -8.4766 -7.1055 -7.1055 -4.3973 -4.3973 -4.0950 -4.0950 -3.9729 -3.9729 5.4236 5.4236 5.7939 5.7939 5.8077 5.8077 6.9114 6.9114 7.9037 7.9037 7.9334 7.9334 12.7166 12.7166 13.1794 13.1794 13.1799 13.1799 13.6533 13.6533 k = 0.5000-0.8958-0.5405 ( 2286 PWs) bands (ev): -38.8206 -38.8206 -20.9606 -20.9606 -18.0572 -18.0572 -17.5444 -17.5444 -17.2930 -17.2930 -7.8639 -7.8639 -7.1108 -7.1108 -5.3331 -5.3331 -4.4167 -4.4167 -4.2393 -4.2393 4.8966 4.8966 5.8332 5.8332 6.3828 6.3828 6.8916 6.8916 7.1142 7.1142 7.1500 7.1500 12.6216 12.6216 13.1407 13.1407 13.9008 13.9008 14.3787 14.3787 k = 0.5177-0.8886-0.5362 ( 2285 PWs) bands (ev): -38.8206 -38.8206 -20.9606 -20.9606 -18.0572 -18.0572 -17.5444 -17.5444 -17.2930 -17.2930 -7.8636 -7.8636 -7.1114 -7.1114 -5.3330 -5.3330 -4.4167 -4.4167 -4.2392 -4.2392 4.8954 4.8954 5.8341 5.8341 6.3825 6.3825 6.8895 6.8895 7.1163 7.1163 7.1511 7.1511 12.6118 12.6118 13.1516 13.1516 13.9007 13.9007 14.3786 14.3786 k = 0.5353-0.8813-0.5318 ( 2287 PWs) bands (ev): -38.8206 -38.8206 -20.9607 -20.9607 -18.0572 -18.0572 -17.5444 -17.5444 -17.2930 -17.2930 -7.8626 -7.8626 -7.1129 -7.1129 -5.3325 -5.3325 -4.4165 -4.4165 -4.2389 -4.2389 4.8917 4.8917 5.8366 5.8366 6.3814 6.3814 6.8834 6.8834 7.1221 7.1221 7.1545 7.1545 12.5845 12.5845 13.1818 13.1818 13.9004 13.9004 14.3783 14.3783 k = 0.5530-0.8741-0.5275 ( 2287 PWs) bands (ev): -38.8206 -38.8206 -20.9607 -20.9607 -18.0572 -18.0572 -17.5444 -17.5444 -17.2930 -17.2930 -7.8609 -7.8609 -7.1154 -7.1154 -5.3318 -5.3318 -4.4163 -4.4163 -4.2385 -4.2385 4.8857 4.8857 5.8409 5.8409 6.3795 6.3795 6.8741 6.8741 7.1300 7.1300 7.1613 7.1613 12.5447 12.5447 13.2265 13.2265 13.8999 13.8999 14.3778 14.3778 k = 0.5707-0.8669-0.5231 ( 2285 PWs) bands (ev): -38.8206 -38.8206 -20.9607 -20.9607 -18.0571 -18.0571 -17.5444 -17.5444 -17.2930 -17.2930 -7.8586 -7.8586 -7.1189 -7.1189 -5.3308 -5.3308 -4.4160 -4.4160 -4.2379 -4.2379 4.8775 4.8775 5.8467 5.8467 6.3769 6.3769 6.8621 6.8621 7.1378 7.1378 7.1726 7.1726 12.4971 12.4971 13.2808 13.2808 13.8993 13.8993 14.3772 14.3772 k = 0.5883-0.8597-0.5187 ( 2284 PWs) bands (ev): -38.8206 -38.8206 -20.9607 -20.9607 -18.0571 -18.0571 -17.5444 -17.5444 -17.2930 -17.2930 -7.8557 -7.8557 -7.1234 -7.1234 -5.3295 -5.3295 -4.4156 -4.4156 -4.2371 -4.2371 4.8673 4.8673 5.8541 5.8541 6.3738 6.3738 6.8482 6.8482 7.1446 7.1446 7.1884 7.1884 12.4451 12.4451 13.3411 13.3411 13.8987 13.8987 14.3763 14.3763 k = 0.6060-0.8524-0.5144 ( 2275 PWs) bands (ev): -38.8206 -38.8206 -20.9607 -20.9607 -18.0570 -18.0570 -17.5444 -17.5444 -17.2930 -17.2930 -7.8521 -7.8521 -7.1287 -7.1287 -5.3280 -5.3280 -4.4152 -4.4152 -4.2361 -4.2361 4.8554 4.8554 5.8630 5.8630 6.3701 6.3701 6.8330 6.8330 7.1508 7.1508 7.2078 7.2078 12.3910 12.3910 13.4050 13.4050 13.8983 13.8983 14.3753 14.3753 k = 0.6236-0.8452-0.5100 ( 2270 PWs) bands (ev): -38.8206 -38.8206 -20.9608 -20.9608 -18.0570 -18.0570 -17.5444 -17.5444 -17.2930 -17.2930 -7.8480 -7.8480 -7.1349 -7.1349 -5.3262 -5.3262 -4.4146 -4.4146 -4.2350 -4.2350 4.8419 4.8419 5.8732 5.8732 6.3659 6.3659 6.8165 6.8165 7.1568 7.1568 7.2296 7.2296 12.3362 12.3362 13.4705 13.4705 13.8982 13.8982 14.3742 14.3742 k = 0.6413-0.8380-0.5057 ( 2268 PWs) bands (ev): -38.8206 -38.8206 -20.9608 -20.9608 -18.0569 -18.0569 -17.5444 -17.5444 -17.2929 -17.2929 -7.8434 -7.8434 -7.1418 -7.1418 -5.3243 -5.3243 -4.4141 -4.4141 -4.2339 -4.2339 4.8271 4.8271 5.8847 5.8847 6.3613 6.3613 6.7993 6.7993 7.1629 7.1629 7.2531 7.2531 12.2816 12.2816 13.5362 13.5362 13.8990 13.8990 14.3729 14.3729 k = 0.6590-0.8307-0.5013 ( 2268 PWs) bands (ev): -38.8206 -38.8206 -20.9608 -20.9608 -18.0569 -18.0569 -17.5444 -17.5444 -17.2929 -17.2929 -7.8382 -7.8382 -7.1494 -7.1494 -5.3221 -5.3221 -4.4135 -4.4135 -4.2326 -4.2326 4.8113 4.8113 5.8973 5.8973 6.3564 6.3564 6.7814 6.7814 7.1692 7.1692 7.2776 7.2776 12.2281 12.2281 13.6005 13.6005 13.9012 13.9012 14.3715 14.3715 k = 0.6766-0.8235-0.4969 ( 2268 PWs) bands (ev): -38.8207 -38.8207 -20.9609 -20.9609 -18.0568 -18.0568 -17.5444 -17.5444 -17.2929 -17.2929 -7.8326 -7.8326 -7.1577 -7.1577 -5.3199 -5.3199 -4.4128 -4.4128 -4.2312 -4.2312 4.7949 4.7949 5.9109 5.9109 6.3512 6.3512 6.7629 6.7629 7.1755 7.1755 7.3028 7.3028 12.1760 12.1760 13.6613 13.6613 13.9062 13.9062 14.3700 14.3700 k = 0.6943-0.8163-0.4926 ( 2271 PWs) bands (ev): -38.8207 -38.8207 -20.9610 -20.9610 -18.0567 -18.0567 -17.5445 -17.5445 -17.2929 -17.2929 -7.8267 -7.8267 -7.1664 -7.1664 -5.3175 -5.3175 -4.4122 -4.4122 -4.2298 -4.2298 4.7780 4.7780 5.9255 5.9255 6.3458 6.3458 6.7440 6.7440 7.1819 7.1819 7.3282 7.3282 12.1258 12.1258 13.7158 13.7158 13.9164 13.9164 14.3684 14.3684 k = 0.7120-0.8091-0.4882 ( 2270 PWs) bands (ev): -38.8207 -38.8207 -20.9610 -20.9610 -18.0566 -18.0566 -17.5445 -17.5445 -17.2929 -17.2929 -7.8204 -7.8204 -7.1756 -7.1756 -5.3150 -5.3150 -4.4115 -4.4115 -4.2283 -4.2283 4.7610 4.7610 5.9409 5.9409 6.3404 6.3404 6.7247 6.7247 7.1884 7.1884 7.3535 7.3535 12.0778 12.0778 13.7597 13.7597 13.9354 13.9354 14.3668 14.3668 k = 0.7296-0.8018-0.4838 ( 2271 PWs) bands (ev): -38.8207 -38.8207 -20.9611 -20.9611 -18.0565 -18.0565 -17.5445 -17.5445 -17.2929 -17.2929 -7.8138 -7.8138 -7.1850 -7.1850 -5.3125 -5.3125 -4.4108 -4.4108 -4.2268 -4.2268 4.7442 4.7442 5.9570 5.9570 6.3351 6.3351 6.7052 6.7052 7.1947 7.1947 7.3784 7.3784 12.0323 12.0323 13.7895 13.7895 13.9662 13.9662 14.3651 14.3651 k = 0.7473-0.7946-0.4795 ( 2272 PWs) bands (ev): -38.8208 -38.8208 -20.9612 -20.9612 -18.0564 -18.0564 -17.5445 -17.5445 -17.2929 -17.2929 -7.8071 -7.8071 -7.1946 -7.1946 -5.3099 -5.3099 -4.4101 -4.4101 -4.2253 -4.2253 4.7277 4.7277 5.9736 5.9736 6.3299 6.3299 6.6856 6.6856 7.2010 7.2010 7.4025 7.4025 11.9894 11.9894 13.8064 13.8064 14.0071 14.0071 14.3634 14.3634 k = 0.7650-0.7874-0.4751 ( 2274 PWs) bands (ev): -38.8208 -38.8208 -20.9613 -20.9613 -18.0562 -18.0562 -17.5446 -17.5446 -17.2929 -17.2929 -7.8003 -7.8003 -7.2043 -7.2043 -5.3073 -5.3073 -4.4095 -4.4095 -4.2239 -4.2239 4.7117 4.7117 5.9907 5.9907 6.3248 6.3248 6.6660 6.6660 7.2069 7.2069 7.4256 7.4256 11.9495 11.9495 13.8148 13.8148 14.0533 14.0533 14.3617 14.3617 k = 0.7826-0.7802-0.4708 ( 2276 PWs) bands (ev): -38.8208 -38.8208 -20.9614 -20.9614 -18.0561 -18.0561 -17.5446 -17.5446 -17.2929 -17.2929 -7.7935 -7.7935 -7.2140 -7.2140 -5.3048 -5.3048 -4.4088 -4.4088 -4.2225 -4.2225 4.6966 4.6966 6.0081 6.0081 6.3201 6.3201 6.6465 6.6465 7.2125 7.2125 7.4474 7.4474 11.9126 11.9126 13.8186 13.8186 14.1006 14.1006 14.3601 14.3601 k = 0.8003-0.7729-0.4664 ( 2282 PWs) bands (ev): -38.8209 -38.8209 -20.9615 -20.9615 -18.0560 -18.0560 -17.5446 -17.5446 -17.2929 -17.2929 -7.7868 -7.7868 -7.2234 -7.2234 -5.3023 -5.3023 -4.4082 -4.4082 -4.2211 -4.2211 4.6824 4.6824 6.0256 6.0256 6.3156 6.3156 6.6273 6.6273 7.2178 7.2178 7.4676 7.4676 11.8789 11.8789 13.8197 13.8197 14.1465 14.1465 14.3585 14.3585 k = 0.8179-0.7657-0.4620 ( 2282 PWs) bands (ev): -38.8209 -38.8209 -20.9616 -20.9616 -18.0558 -18.0558 -17.5446 -17.5446 -17.2929 -17.2929 -7.7803 -7.7803 -7.2324 -7.2324 -5.2998 -5.2998 -4.4077 -4.4077 -4.2199 -4.2199 4.6694 4.6694 6.0429 6.0429 6.3115 6.3115 6.6086 6.6086 7.2225 7.2225 7.4860 7.4860 11.8486 11.8486 13.8195 13.8195 14.1896 14.1896 14.3569 14.3569 Writing output data file KScO2.save init_run : 0.37s CPU 0.51s WALL ( 1 calls) electrons : 201.59s CPU 203.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 201.58s CPU 203.93s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 372 calls) cegterg : 185.62s CPU 187.62s WALL ( 654 calls) Called by sum_band: Called by *egterg: h_psi : 137.88s CPU 139.64s WALL ( 11038 calls) s_psi : 4.04s CPU 4.01s WALL ( 11038 calls) g_psi : 0.15s CPU 0.15s WALL ( 10012 calls) cdiaghg : 48.16s CPU 48.67s WALL ( 10384 calls) cegterg:over : 3.54s CPU 3.49s WALL ( 10012 calls) cegterg:upda : 2.66s CPU 2.71s WALL ( 10012 calls) cegterg:last : 1.60s CPU 1.60s WALL ( 1714 calls) cdiaghg:chol : 2.55s CPU 2.61s WALL ( 10384 calls) cdiaghg:inve : 1.39s CPU 1.39s WALL ( 10384 calls) cdiaghg:para : 2.84s CPU 2.84s WALL ( 20768 calls) Called by h_psi: h_psi:vloc : 131.46s CPU 132.98s WALL ( 11038 calls) h_psi:vnl : 6.26s CPU 6.52s WALL ( 11038 calls) add_vuspsi : 3.25s CPU 3.40s WALL ( 11038 calls) General routines calbec : 2.96s CPU 3.09s WALL ( 11038 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.65s CPU 121.11s WALL ( 808072 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.13s WALL ( 744 calls) Parallel routines fft_scatter : 27.49s CPU 27.74s WALL ( 808095 calls) PWSCF : 3m34.05s CPU 3m58.71s WALL This run was terminated on: 19:52:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=