Program PWSCF v.5.1.1 starts on 18Jul2015 at 1:37:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Bi2O3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 55 15 4008 1757 268 Max 97 56 16 4012 1780 274 Sum 3079 1771 511 128293 56573 8691 bravais-lattice index = 14 lattice parameter (alat) = 10.9226 a.u. unit-cell volume = 1302.2612 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.922616 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.020942 celldm(5)= 0.020942 celldm(6)= 0.020942 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.020942 0.999781 0.000000 ) a(3) = ( 0.020942 0.020508 0.999570 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.020947 -0.020522 ) b(2) = ( 0.000000 1.000219 -0.020522 ) b(3) = ( 0.000000 0.000000 1.000430 ) PseudoPot. # 1 for O read from file: /home/autes/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 Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0178571 -0.0003741 -0.0003665), wk = 0.0043290 k( 3) = ( 0.0357143 -0.0007481 -0.0007329), wk = 0.0043290 k( 4) = ( 0.0535714 -0.0011222 -0.0010994), wk = 0.0043290 k( 5) = ( 0.0714286 -0.0014962 -0.0014658), wk = 0.0043290 k( 6) = ( 0.0892857 -0.0018703 -0.0018323), wk = 0.0043290 k( 7) = ( 0.1071429 -0.0022443 -0.0021987), wk = 0.0043290 k( 8) = ( 0.1250000 -0.0026184 -0.0025652), wk = 0.0043290 k( 9) = ( 0.1428571 -0.0029924 -0.0029317), wk = 0.0043290 k( 10) = ( 0.1607143 -0.0033665 -0.0032981), wk = 0.0043290 k( 11) = ( 0.1785714 -0.0037405 -0.0036646), wk = 0.0043290 k( 12) = ( 0.1964286 -0.0041146 -0.0040310), wk = 0.0043290 k( 13) = ( 0.2142857 -0.0044886 -0.0043975), wk = 0.0043290 k( 14) = ( 0.2321429 -0.0048627 -0.0047640), wk = 0.0043290 k( 15) = ( 0.2500000 -0.0052368 -0.0051304), wk = 0.0043290 k( 16) = ( 0.2678571 -0.0056108 -0.0054969), wk = 0.0043290 k( 17) = ( 0.2857143 -0.0059849 -0.0058633), wk = 0.0043290 k( 18) = ( 0.3035714 -0.0063589 -0.0062298), wk = 0.0043290 k( 19) = ( 0.3214286 -0.0067330 -0.0065962), wk = 0.0043290 k( 20) = ( 0.3392857 -0.0071070 -0.0069627), wk = 0.0043290 k( 21) = ( 0.3571429 -0.0074811 -0.0073292), wk = 0.0043290 k( 22) = ( 0.3750000 -0.0078551 -0.0076956), wk = 0.0043290 k( 23) = ( 0.3928571 -0.0082292 -0.0080621), wk = 0.0043290 k( 24) = ( 0.4107143 -0.0086032 -0.0084285), wk = 0.0043290 k( 25) = ( 0.4285714 -0.0089773 -0.0087950), wk = 0.0043290 k( 26) = ( 0.4464286 -0.0093513 -0.0091615), wk = 0.0043290 k( 27) = ( 0.4642857 -0.0097254 -0.0095279), wk = 0.0043290 k( 28) = ( 0.4821429 -0.0100995 -0.0098944), wk = 0.0043290 k( 29) = ( 0.5000000 -0.0104735 -0.0102608), wk = 0.0043290 k( 30) = ( 0.5000000 -0.0104735 -0.0102608), wk = 0.0043290 k( 31) = ( 0.5000000 0.0021582 -0.0231543), wk = 0.0043290 k( 32) = ( 0.5000000 0.0147899 -0.0360479), wk = 0.0043290 k( 33) = ( 0.5000000 0.0274216 -0.0489414), wk = 0.0043290 k( 34) = ( 0.5000000 0.0400533 -0.0618349), wk = 0.0043290 k( 35) = ( 0.5000000 0.0526850 -0.0747285), wk = 0.0043290 k( 36) = ( 0.5000000 0.0653167 -0.0876220), wk = 0.0043290 k( 37) = ( 0.5000000 0.0779484 -0.1005155), wk = 0.0043290 k( 38) = ( 0.5000000 0.0905801 -0.1134091), wk = 0.0043290 k( 39) = ( 0.5000000 0.1032118 -0.1263026), wk = 0.0043290 k( 40) = ( 0.5000000 0.1158435 -0.1391961), wk = 0.0043290 k( 41) = ( 0.5000000 0.1284752 -0.1520896), wk = 0.0043290 k( 42) = ( 0.5000000 0.1411069 -0.1649832), wk = 0.0043290 k( 43) = ( 0.5000000 0.1537386 -0.1778767), wk = 0.0043290 k( 44) = ( 0.5000000 0.1663703 -0.1907702), wk = 0.0043290 k( 45) = ( 0.5000000 0.1790021 -0.2036638), wk = 0.0043290 k( 46) = ( 0.5000000 0.1916338 -0.2165573), wk = 0.0043290 k( 47) = ( 0.5000000 0.2042655 -0.2294508), wk = 0.0043290 k( 48) = ( 0.5000000 0.2168972 -0.2423443), wk = 0.0043290 k( 49) = ( 0.5000000 0.2295289 -0.2552379), wk = 0.0043290 k( 50) = ( 0.5000000 0.2421606 -0.2681314), wk = 0.0043290 k( 51) = ( 0.5000000 0.2547923 -0.2810249), wk = 0.0043290 k( 52) = ( 0.5000000 0.2674240 -0.2939185), wk = 0.0043290 k( 53) = ( 0.5000000 0.2800557 -0.3068120), wk = 0.0043290 k( 54) = ( 0.5000000 0.2926874 -0.3197055), wk = 0.0043290 k( 55) = ( 0.5000000 0.3053191 -0.3325991), wk = 0.0043290 k( 56) = ( 0.5000000 0.3179508 -0.3454926), wk = 0.0043290 k( 57) = ( 0.5000000 0.3305825 -0.3583861), wk = 0.0043290 k( 58) = ( 0.5000000 0.3432142 -0.3712796), wk = 0.0043290 k( 59) = ( 0.5000000 0.3558459 -0.3841732), wk = 0.0043290 k( 60) = ( 0.5000000 0.3684776 -0.3970667), wk = 0.0043290 k( 61) = ( 0.5000000 0.3811093 -0.4099602), wk = 0.0043290 k( 62) = ( 0.5000000 0.3937410 -0.4228538), wk = 0.0043290 k( 63) = ( 0.5000000 0.4063727 -0.4357473), wk = 0.0043290 k( 64) = ( 0.5000000 0.4190044 -0.4486408), wk = 0.0043290 k( 65) = ( 0.5000000 0.4316361 -0.4615344), wk = 0.0043290 k( 66) = ( 0.5000000 0.4442678 -0.4744279), wk = 0.0043290 k( 67) = ( 0.5000000 0.4568995 -0.4873214), wk = 0.0043290 k( 68) = ( 0.5000000 0.4695313 -0.5002149), wk = 0.0043290 k( 69) = ( 0.5201005 0.4892151 0.4591716), wk = 0.0043290 k( 70) = ( 0.5100503 0.4894257 0.4694325), wk = 0.0043290 k( 71) = ( 0.5000000 0.4896362 0.4796933), wk = 0.0043290 k( 72) = ( 0.5000000 0.4896362 0.4796933), wk = 0.0043290 k( 73) = ( 0.4893617 0.4792184 0.4694870), wk = 0.0043290 k( 74) = ( 0.4787234 0.4688006 0.4592808), wk = 0.0043290 k( 75) = ( 0.4680851 0.4583828 0.4490746), wk = 0.0043290 k( 76) = ( 0.4574468 0.4479650 0.4388683), wk = 0.0043290 k( 77) = ( 0.4468085 0.4375472 0.4286621), wk = 0.0043290 k( 78) = ( 0.4361702 0.4271294 0.4184558), wk = 0.0043290 k( 79) = ( 0.4255319 0.4167116 0.4082496), wk = 0.0043290 k( 80) = ( 0.4148936 0.4062939 0.3980434), wk = 0.0043290 k( 81) = ( 0.4042553 0.3958761 0.3878371), wk = 0.0043290 k( 82) = ( 0.3936170 0.3854583 0.3776309), wk = 0.0043290 k( 83) = ( 0.3829787 0.3750405 0.3674246), wk = 0.0043290 k( 84) = ( 0.3723404 0.3646227 0.3572184), wk = 0.0043290 k( 85) = ( 0.3617021 0.3542049 0.3470122), wk = 0.0043290 k( 86) = ( 0.3510638 0.3437871 0.3368059), wk = 0.0043290 k( 87) = ( 0.3404255 0.3333693 0.3265997), wk = 0.0043290 k( 88) = ( 0.3297872 0.3229515 0.3163934), wk = 0.0043290 k( 89) = ( 0.3191489 0.3125337 0.3061872), wk = 0.0043290 k( 90) = ( 0.3085106 0.3021159 0.2959810), wk = 0.0043290 k( 91) = ( 0.2978723 0.2916981 0.2857747), wk = 0.0043290 k( 92) = ( 0.2872340 0.2812804 0.2755685), wk = 0.0043290 k( 93) = ( 0.2765957 0.2708626 0.2653622), wk = 0.0043290 k( 94) = ( 0.2659574 0.2604448 0.2551560), wk = 0.0043290 k( 95) = ( 0.2553191 0.2500270 0.2449498), wk = 0.0043290 k( 96) = ( 0.2446809 0.2396092 0.2347435), wk = 0.0043290 k( 97) = ( 0.2340425 0.2291914 0.2245373), wk = 0.0043290 k( 98) = ( 0.2234043 0.2187736 0.2143310), wk = 0.0043290 k( 99) = ( 0.2127660 0.2083558 0.2041248), wk = 0.0043290 k( 100) = ( 0.2021277 0.1979380 0.1939186), wk = 0.0043290 k( 101) = ( 0.1914894 0.1875202 0.1837123), wk = 0.0043290 k( 102) = ( 0.1808511 0.1771024 0.1735061), wk = 0.0043290 k( 103) = ( 0.1702128 0.1666847 0.1632998), wk = 0.0043290 k( 104) = ( 0.1595745 0.1562669 0.1530936), wk = 0.0043290 k( 105) = ( 0.1489362 0.1458491 0.1428874), wk = 0.0043290 k( 106) = ( 0.1382979 0.1354313 0.1326811), wk = 0.0043290 k( 107) = ( 0.1276596 0.1250135 0.1224749), wk = 0.0043290 k( 108) = ( 0.1170213 0.1145957 0.1122686), wk = 0.0043290 k( 109) = ( 0.1063830 0.1041779 0.1020624), wk = 0.0043290 k( 110) = ( 0.0957447 0.0937601 0.0918562), wk = 0.0043290 k( 111) = ( 0.0851064 0.0833423 0.0816499), wk = 0.0043290 k( 112) = ( 0.0744681 0.0729245 0.0714437), wk = 0.0043290 k( 113) = ( 0.0638298 0.0625067 0.0612374), wk = 0.0043290 k( 114) = ( 0.0531915 0.0520890 0.0510312), wk = 0.0043290 k( 115) = ( 0.0425532 0.0416712 0.0408250), wk = 0.0043290 k( 116) = ( 0.0319149 0.0312534 0.0306187), wk = 0.0043290 k( 117) = ( 0.0212766 0.0208356 0.0204125), wk = 0.0043290 k( 118) = ( 0.0106383 0.0104178 0.0102062), wk = 0.0043290 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 121) = ( 0.0125628 -0.0002632 -0.0128260), wk = 0.0043290 k( 122) = ( 0.0251256 -0.0005263 -0.0256521), wk = 0.0043290 k( 123) = ( 0.0376884 -0.0007895 -0.0384781), wk = 0.0043290 k( 124) = ( 0.0502513 -0.0010526 -0.0513041), wk = 0.0043290 k( 125) = ( 0.0628141 -0.0013158 -0.0641301), wk = 0.0043290 k( 126) = ( 0.0753769 -0.0015789 -0.0769561), wk = 0.0043290 k( 127) = ( 0.0879397 -0.0018421 -0.0897822), wk = 0.0043290 k( 128) = ( 0.1005025 -0.0021052 -0.1026082), wk = 0.0043290 k( 129) = ( 0.1130653 -0.0023684 -0.1154342), wk = 0.0043290 k( 130) = ( 0.1256281 -0.0026315 -0.1282602), wk = 0.0043290 k( 131) = ( 0.1381910 -0.0028947 -0.1410863), wk = 0.0043290 k( 132) = ( 0.1507538 -0.0031578 -0.1539123), wk = 0.0043290 k( 133) = ( 0.1633166 -0.0034210 -0.1667383), wk = 0.0043290 k( 134) = ( 0.1758794 -0.0036841 -0.1795643), wk = 0.0043290 k( 135) = ( 0.1884422 -0.0039473 -0.1923904), wk = 0.0043290 k( 136) = ( 0.2010050 -0.0042105 -0.2052164), wk = 0.0043290 k( 137) = ( 0.2135678 -0.0044736 -0.2180424), wk = 0.0043290 k( 138) = ( 0.2261306 -0.0047368 -0.2308684), wk = 0.0043290 k( 139) = ( 0.2386935 -0.0049999 -0.2436944), wk = 0.0043290 k( 140) = ( 0.2512563 -0.0052631 -0.2565205), wk = 0.0043290 k( 141) = ( 0.2638191 -0.0055262 -0.2693465), wk = 0.0043290 k( 142) = ( 0.2763819 -0.0057894 -0.2821725), wk = 0.0043290 k( 143) = ( 0.2889447 -0.0060525 -0.2949985), wk = 0.0043290 k( 144) = ( 0.3015075 -0.0063157 -0.3078246), wk = 0.0043290 k( 145) = ( 0.3140703 -0.0065788 -0.3206506), wk = 0.0043290 k( 146) = ( 0.3266332 -0.0068420 -0.3334766), wk = 0.0043290 k( 147) = ( 0.3391960 -0.0071051 -0.3463026), wk = 0.0043290 k( 148) = ( 0.3517588 -0.0073683 -0.3591287), wk = 0.0043290 k( 149) = ( 0.3643216 -0.0076314 -0.3719547), wk = 0.0043290 k( 150) = ( 0.3768844 -0.0078946 -0.3847807), wk = 0.0043290 k( 151) = ( 0.3894472 -0.0081578 -0.3976067), wk = 0.0043290 k( 152) = ( 0.4020101 -0.0084209 -0.4104328), wk = 0.0043290 k( 153) = ( 0.4145729 -0.0086841 -0.4232588), wk = 0.0043290 k( 154) = ( 0.4271357 -0.0089472 -0.4360848), wk = 0.0043290 k( 155) = ( 0.4396985 -0.0092104 -0.4489108), wk = 0.0043290 k( 156) = ( 0.4522613 -0.0094735 -0.4617369), wk = 0.0043290 k( 157) = ( 0.4648241 -0.0097367 -0.4745629), wk = 0.0043290 k( 158) = ( 0.4773869 -0.0099998 -0.4873889), wk = 0.0043290 k( 159) = ( 0.4899497 -0.0102630 -0.5002149), wk = 0.0043290 k( 160) = ( 0.5100503 0.4793732 -0.0205216), wk = 0.0043290 k( 161) = ( 0.5000000 0.4896362 -0.0205216), wk = 0.0043290 k( 162) = ( 0.5000000 0.4896362 -0.0205216), wk = 0.0043290 k( 163) = ( 0.5003722 0.4900007 -0.0027552), wk = 0.0043290 k( 164) = ( 0.5007445 0.4903652 0.0150112), wk = 0.0043290 k( 165) = ( 0.5011167 0.4907297 0.0327776), wk = 0.0043290 k( 166) = ( 0.5014889 0.4910942 0.0505440), wk = 0.0043290 k( 167) = ( 0.5018612 0.4914588 0.0683104), wk = 0.0043290 k( 168) = ( 0.5022334 0.4918233 0.0860769), wk = 0.0043290 k( 169) = ( 0.5026056 0.4921878 0.1038433), wk = 0.0043290 k( 170) = ( 0.5029778 0.4925523 0.1216097), wk = 0.0043290 k( 171) = ( 0.5033501 0.4929168 0.1393761), wk = 0.0043290 k( 172) = ( 0.5037223 0.4932813 0.1571425), wk = 0.0043290 k( 173) = ( 0.5040946 0.4936459 0.1749090), wk = 0.0043290 k( 174) = ( 0.5044668 0.4940104 0.1926754), wk = 0.0043290 k( 175) = ( 0.5048390 0.4943749 0.2104418), wk = 0.0043290 k( 176) = ( 0.5052112 0.4947394 0.2282082), wk = 0.0043290 k( 177) = ( 0.5055835 0.4951039 0.2459746), wk = 0.0043290 k( 178) = ( 0.5059557 0.4954684 0.2637410), wk = 0.0043290 k( 179) = ( 0.5063279 0.4958330 0.2815075), wk = 0.0043290 k( 180) = ( 0.5067002 0.4961975 0.2992739), wk = 0.0043290 k( 181) = ( 0.5070724 0.4965620 0.3170403), wk = 0.0043290 k( 182) = ( 0.5074446 0.4969265 0.3348067), wk = 0.0043290 k( 183) = ( 0.5078169 0.4972910 0.3525731), wk = 0.0043290 k( 184) = ( 0.5081891 0.4976555 0.3703395), wk = 0.0043290 k( 185) = ( 0.5085613 0.4980200 0.3881060), wk = 0.0043290 k( 186) = ( 0.5089336 0.4983846 0.4058724), wk = 0.0043290 k( 187) = ( 0.5093058 0.4987491 0.4236388), wk = 0.0043290 k( 188) = ( 0.5096780 0.4991136 0.4414052), wk = 0.0043290 k( 189) = ( 0.5100503 0.4994781 0.4591716), wk = 0.0043290 k( 190) = ( 0.5100503 0.4994781 0.4591716), wk = 0.0043290 k( 191) = ( 0.5050251 0.4945571 0.4694325), wk = 0.0043290 k( 192) = ( 0.5000000 0.4896362 0.4796933), wk = 0.0043290 k( 193) = ( 0.5000000 -0.0104735 -0.0102608), wk = 0.0043290 k( 194) = ( 0.5005290 0.0024117 0.0023627), wk = 0.0043290 k( 195) = ( 0.5010579 0.0152968 0.0149862), wk = 0.0043290 k( 196) = ( 0.5015869 0.0281820 0.0276097), wk = 0.0043290 k( 197) = ( 0.5021158 0.0410671 0.0402332), wk = 0.0043290 k( 198) = ( 0.5026448 0.0539523 0.0528567), wk = 0.0043290 k( 199) = ( 0.5031738 0.0668375 0.0654802), wk = 0.0043290 k( 200) = ( 0.5037027 0.0797226 0.0781037), wk = 0.0043290 k( 201) = ( 0.5042317 0.0926078 0.0907272), wk = 0.0043290 k( 202) = ( 0.5047607 0.1054930 0.1033507), wk = 0.0043290 k( 203) = ( 0.5052896 0.1183781 0.1159742), wk = 0.0043290 k( 204) = ( 0.5058186 0.1312633 0.1285978), wk = 0.0043290 k( 205) = ( 0.5063475 0.1441484 0.1412213), wk = 0.0043290 k( 206) = ( 0.5068765 0.1570336 0.1538448), wk = 0.0043290 k( 207) = ( 0.5074055 0.1699188 0.1664683), wk = 0.0043290 k( 208) = ( 0.5079344 0.1828039 0.1790918), wk = 0.0043290 k( 209) = ( 0.5084634 0.1956891 0.1917153), wk = 0.0043290 k( 210) = ( 0.5089923 0.2085743 0.2043388), wk = 0.0043290 k( 211) = ( 0.5095213 0.2214594 0.2169623), wk = 0.0043290 k( 212) = ( 0.5100503 0.2343446 0.2295858), wk = 0.0043290 k( 213) = ( 0.5105792 0.2472297 0.2422093), wk = 0.0043290 k( 214) = ( 0.5111082 0.2601149 0.2548328), wk = 0.0043290 k( 215) = ( 0.5116371 0.2730001 0.2674563), wk = 0.0043290 k( 216) = ( 0.5121661 0.2858852 0.2800798), wk = 0.0043290 k( 217) = ( 0.5126951 0.2987704 0.2927034), wk = 0.0043290 k( 218) = ( 0.5132240 0.3116556 0.3053269), wk = 0.0043290 k( 219) = ( 0.5137530 0.3245407 0.3179504), wk = 0.0043290 k( 220) = ( 0.5142819 0.3374259 0.3305739), wk = 0.0043290 k( 221) = ( 0.5148109 0.3503110 0.3431974), wk = 0.0043290 k( 222) = ( 0.5153399 0.3631962 0.3558209), wk = 0.0043290 k( 223) = ( 0.5158688 0.3760814 0.3684444), wk = 0.0043290 k( 224) = ( 0.5163978 0.3889665 0.3810679), wk = 0.0043290 k( 225) = ( 0.5169267 0.4018517 0.3936914), wk = 0.0043290 k( 226) = ( 0.5174557 0.4147369 0.4063149), wk = 0.0043290 k( 227) = ( 0.5179847 0.4276220 0.4189384), wk = 0.0043290 k( 228) = ( 0.5185136 0.4405072 0.4315619), wk = 0.0043290 k( 229) = ( 0.5190426 0.4533923 0.4441854), wk = 0.0043290 k( 230) = ( 0.5195715 0.4662775 0.4568090), wk = 0.0043290 k( 231) = ( 0.5201005 0.4791627 0.4694325), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0043290 k( 3) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0043290 k( 4) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0043290 k( 6) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0043290 k( 7) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0043290 k( 9) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0043290 k( 10) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0043290 k( 11) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0043290 k( 12) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0043290 k( 13) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0043290 k( 15) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0043290 k( 16) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0043290 k( 17) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0043290 k( 18) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0043290 k( 19) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0043290 k( 21) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0043290 k( 22) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0043290 k( 23) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0043290 k( 24) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0043290 k( 25) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0043290 k( 27) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0043290 k( 28) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0043290 k( 29) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043290 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043290 k( 31) = ( 0.5000000 0.0126289 -0.0126289), wk = 0.0043290 k( 32) = ( 0.5000000 0.0252579 -0.0252579), wk = 0.0043290 k( 33) = ( 0.5000000 0.0378868 -0.0378868), wk = 0.0043290 k( 34) = ( 0.5000000 0.0505157 -0.0505157), wk = 0.0043290 k( 35) = ( 0.5000000 0.0631447 -0.0631447), wk = 0.0043290 k( 36) = ( 0.5000000 0.0757736 -0.0757736), wk = 0.0043290 k( 37) = ( 0.5000000 0.0884025 -0.0884025), wk = 0.0043290 k( 38) = ( 0.5000000 0.1010315 -0.1010315), wk = 0.0043290 k( 39) = ( 0.5000000 0.1136604 -0.1136604), wk = 0.0043290 k( 40) = ( 0.5000000 0.1262893 -0.1262893), wk = 0.0043290 k( 41) = ( 0.5000000 0.1389183 -0.1389183), wk = 0.0043290 k( 42) = ( 0.5000000 0.1515472 -0.1515472), wk = 0.0043290 k( 43) = ( 0.5000000 0.1641761 -0.1641761), wk = 0.0043290 k( 44) = ( 0.5000000 0.1768051 -0.1768051), wk = 0.0043290 k( 45) = ( 0.5000000 0.1894340 -0.1894340), wk = 0.0043290 k( 46) = ( 0.5000000 0.2020629 -0.2020629), wk = 0.0043290 k( 47) = ( 0.5000000 0.2146919 -0.2146919), wk = 0.0043290 k( 48) = ( 0.5000000 0.2273208 -0.2273208), wk = 0.0043290 k( 49) = ( 0.5000000 0.2399497 -0.2399497), wk = 0.0043290 k( 50) = ( 0.5000000 0.2525787 -0.2525787), wk = 0.0043290 k( 51) = ( 0.5000000 0.2652076 -0.2652076), wk = 0.0043290 k( 52) = ( 0.5000000 0.2778366 -0.2778365), wk = 0.0043290 k( 53) = ( 0.5000000 0.2904655 -0.2904655), wk = 0.0043290 k( 54) = ( 0.5000000 0.3030944 -0.3030944), wk = 0.0043290 k( 55) = ( 0.5000000 0.3157234 -0.3157234), wk = 0.0043290 k( 56) = ( 0.5000000 0.3283523 -0.3283523), wk = 0.0043290 k( 57) = ( 0.5000000 0.3409812 -0.3409812), wk = 0.0043290 k( 58) = ( 0.5000000 0.3536102 -0.3536102), wk = 0.0043290 k( 59) = ( 0.5000000 0.3662391 -0.3662391), wk = 0.0043290 k( 60) = ( 0.5000000 0.3788680 -0.3788680), wk = 0.0043290 k( 61) = ( 0.5000000 0.3914970 -0.3914970), wk = 0.0043290 k( 62) = ( 0.5000000 0.4041259 -0.4041259), wk = 0.0043290 k( 63) = ( 0.5000000 0.4167548 -0.4167548), wk = 0.0043290 k( 64) = ( 0.5000000 0.4293838 -0.4293837), wk = 0.0043290 k( 65) = ( 0.5000000 0.4420127 -0.4420127), wk = 0.0043290 k( 66) = ( 0.5000000 0.4546416 -0.4546416), wk = 0.0043290 k( 67) = ( 0.5000000 0.4672706 -0.4672706), wk = 0.0043290 k( 68) = ( 0.5000000 0.4798995 -0.4798995), wk = 0.0043290 k( 69) = ( 0.5201005 0.5000000 0.4798995), wk = 0.0043290 k( 70) = ( 0.5100503 0.5000000 0.4899497), wk = 0.0043290 k( 71) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 72) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 73) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0043290 k( 74) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0043290 k( 75) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0043290 k( 76) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0043290 k( 77) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0043290 k( 78) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0043290 k( 79) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0043290 k( 80) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0043290 k( 81) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0043290 k( 82) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0043290 k( 83) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0043290 k( 84) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0043290 k( 85) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0043290 k( 86) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0043290 k( 87) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0043290 k( 88) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0043290 k( 89) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0043290 k( 90) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0043290 k( 91) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0043290 k( 92) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0043290 k( 93) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0043290 k( 94) = ( 0.2659574 0.2659575 0.2659574), wk = 0.0043290 k( 95) = ( 0.2553191 0.2553192 0.2553191), wk = 0.0043290 k( 96) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0043290 k( 97) = ( 0.2340425 0.2340426 0.2340425), wk = 0.0043290 k( 98) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0043290 k( 99) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0043290 k( 100) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0043290 k( 101) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0043290 k( 102) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0043290 k( 103) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0043290 k( 104) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0043290 k( 105) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0043290 k( 106) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0043290 k( 107) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0043290 k( 108) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0043290 k( 109) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0043290 k( 110) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0043290 k( 111) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0043290 k( 112) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0043290 k( 113) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0043290 k( 114) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0043290 k( 115) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0043290 k( 116) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0043290 k( 117) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0043290 k( 118) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0043290 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 121) = ( 0.0125628 0.0000000 -0.0125628), wk = 0.0043290 k( 122) = ( 0.0251256 0.0000000 -0.0251256), wk = 0.0043290 k( 123) = ( 0.0376884 0.0000000 -0.0376884), wk = 0.0043290 k( 124) = ( 0.0502513 0.0000000 -0.0502513), wk = 0.0043290 k( 125) = ( 0.0628141 0.0000000 -0.0628141), wk = 0.0043290 k( 126) = ( 0.0753769 0.0000000 -0.0753769), wk = 0.0043290 k( 127) = ( 0.0879397 0.0000000 -0.0879397), wk = 0.0043290 k( 128) = ( 0.1005025 0.0000000 -0.1005025), wk = 0.0043290 k( 129) = ( 0.1130653 0.0000000 -0.1130653), wk = 0.0043290 k( 130) = ( 0.1256281 0.0000000 -0.1256281), wk = 0.0043290 k( 131) = ( 0.1381910 0.0000000 -0.1381910), wk = 0.0043290 k( 132) = ( 0.1507538 0.0000000 -0.1507538), wk = 0.0043290 k( 133) = ( 0.1633166 0.0000000 -0.1633166), wk = 0.0043290 k( 134) = ( 0.1758794 0.0000000 -0.1758794), wk = 0.0043290 k( 135) = ( 0.1884422 0.0000000 -0.1884422), wk = 0.0043290 k( 136) = ( 0.2010050 0.0000000 -0.2010050), wk = 0.0043290 k( 137) = ( 0.2135678 0.0000000 -0.2135678), wk = 0.0043290 k( 138) = ( 0.2261306 0.0000000 -0.2261306), wk = 0.0043290 k( 139) = ( 0.2386935 0.0000000 -0.2386935), wk = 0.0043290 k( 140) = ( 0.2512563 0.0000000 -0.2512563), wk = 0.0043290 k( 141) = ( 0.2638191 0.0000000 -0.2638191), wk = 0.0043290 k( 142) = ( 0.2763819 0.0000000 -0.2763819), wk = 0.0043290 k( 143) = ( 0.2889447 0.0000000 -0.2889447), wk = 0.0043290 k( 144) = ( 0.3015075 0.0000000 -0.3015075), wk = 0.0043290 k( 145) = ( 0.3140703 0.0000000 -0.3140703), wk = 0.0043290 k( 146) = ( 0.3266332 0.0000000 -0.3266332), wk = 0.0043290 k( 147) = ( 0.3391960 0.0000000 -0.3391960), wk = 0.0043290 k( 148) = ( 0.3517588 0.0000000 -0.3517588), wk = 0.0043290 k( 149) = ( 0.3643216 0.0000000 -0.3643216), wk = 0.0043290 k( 150) = ( 0.3768844 0.0000000 -0.3768844), wk = 0.0043290 k( 151) = ( 0.3894472 0.0000000 -0.3894472), wk = 0.0043290 k( 152) = ( 0.4020101 0.0000000 -0.4020101), wk = 0.0043290 k( 153) = ( 0.4145729 0.0000000 -0.4145729), wk = 0.0043290 k( 154) = ( 0.4271357 0.0000000 -0.4271357), wk = 0.0043290 k( 155) = ( 0.4396985 0.0000000 -0.4396985), wk = 0.0043290 k( 156) = ( 0.4522613 0.0000000 -0.4522613), wk = 0.0043290 k( 157) = ( 0.4648241 0.0000000 -0.4648241), wk = 0.0043290 k( 158) = ( 0.4773869 0.0000000 -0.4773869), wk = 0.0043290 k( 159) = ( 0.4899497 0.0000000 -0.4899497), wk = 0.0043290 k( 160) = ( 0.5100503 0.4899497 0.0000000), wk = 0.0043290 k( 161) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 162) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 163) = ( 0.5003722 0.5003722 0.0177741), wk = 0.0043290 k( 164) = ( 0.5007445 0.5007445 0.0355481), wk = 0.0043290 k( 165) = ( 0.5011167 0.5011167 0.0533222), wk = 0.0043290 k( 166) = ( 0.5014889 0.5014889 0.0710962), wk = 0.0043290 k( 167) = ( 0.5018612 0.5018612 0.0888703), wk = 0.0043290 k( 168) = ( 0.5022334 0.5022334 0.1066443), wk = 0.0043290 k( 169) = ( 0.5026056 0.5026056 0.1244184), wk = 0.0043290 k( 170) = ( 0.5029778 0.5029778 0.1421924), wk = 0.0043290 k( 171) = ( 0.5033501 0.5033501 0.1599665), wk = 0.0043290 k( 172) = ( 0.5037223 0.5037223 0.1777405), wk = 0.0043290 k( 173) = ( 0.5040946 0.5040946 0.1955146), wk = 0.0043290 k( 174) = ( 0.5044668 0.5044668 0.2132887), wk = 0.0043290 k( 175) = ( 0.5048390 0.5048390 0.2310627), wk = 0.0043290 k( 176) = ( 0.5052112 0.5052112 0.2488368), wk = 0.0043290 k( 177) = ( 0.5055835 0.5055835 0.2666108), wk = 0.0043290 k( 178) = ( 0.5059557 0.5059557 0.2843849), wk = 0.0043290 k( 179) = ( 0.5063279 0.5063279 0.3021589), wk = 0.0043290 k( 180) = ( 0.5067002 0.5067002 0.3199330), wk = 0.0043290 k( 181) = ( 0.5070724 0.5070724 0.3377070), wk = 0.0043290 k( 182) = ( 0.5074446 0.5074446 0.3554811), wk = 0.0043290 k( 183) = ( 0.5078169 0.5078169 0.3732552), wk = 0.0043290 k( 184) = ( 0.5081891 0.5081891 0.3910292), wk = 0.0043290 k( 185) = ( 0.5085613 0.5085613 0.4088033), wk = 0.0043290 k( 186) = ( 0.5089336 0.5089336 0.4265773), wk = 0.0043290 k( 187) = ( 0.5093058 0.5093058 0.4443514), wk = 0.0043290 k( 188) = ( 0.5096780 0.5096780 0.4621254), wk = 0.0043290 k( 189) = ( 0.5100503 0.5100503 0.4798995), wk = 0.0043290 k( 190) = ( 0.5100503 0.5100503 0.4798995), wk = 0.0043290 k( 191) = ( 0.5050251 0.5050251 0.4899497), wk = 0.0043290 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 193) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043290 k( 194) = ( 0.5005290 0.0128934 0.0128934), wk = 0.0043290 k( 195) = ( 0.5010579 0.0257868 0.0257868), wk = 0.0043290 k( 196) = ( 0.5015869 0.0386802 0.0386802), wk = 0.0043290 k( 197) = ( 0.5021158 0.0515737 0.0515737), wk = 0.0043290 k( 198) = ( 0.5026448 0.0644671 0.0644671), wk = 0.0043290 k( 199) = ( 0.5031738 0.0773605 0.0773605), wk = 0.0043290 k( 200) = ( 0.5037027 0.0902539 0.0902539), wk = 0.0043290 k( 201) = ( 0.5042317 0.1031473 0.1031473), wk = 0.0043290 k( 202) = ( 0.5047607 0.1160407 0.1160407), wk = 0.0043290 k( 203) = ( 0.5052896 0.1289341 0.1289341), wk = 0.0043290 k( 204) = ( 0.5058186 0.1418276 0.1418276), wk = 0.0043290 k( 205) = ( 0.5063475 0.1547210 0.1547210), wk = 0.0043290 k( 206) = ( 0.5068765 0.1676144 0.1676144), wk = 0.0043290 k( 207) = ( 0.5074055 0.1805078 0.1805078), wk = 0.0043290 k( 208) = ( 0.5079344 0.1934012 0.1934012), wk = 0.0043290 k( 209) = ( 0.5084634 0.2062946 0.2062946), wk = 0.0043290 k( 210) = ( 0.5089923 0.2191880 0.2191880), wk = 0.0043290 k( 211) = ( 0.5095213 0.2320815 0.2320815), wk = 0.0043290 k( 212) = ( 0.5100503 0.2449749 0.2449749), wk = 0.0043290 k( 213) = ( 0.5105792 0.2578683 0.2578683), wk = 0.0043290 k( 214) = ( 0.5111082 0.2707617 0.2707617), wk = 0.0043290 k( 215) = ( 0.5116371 0.2836551 0.2836551), wk = 0.0043290 k( 216) = ( 0.5121661 0.2965485 0.2965485), wk = 0.0043290 k( 217) = ( 0.5126951 0.3094419 0.3094419), wk = 0.0043290 k( 218) = ( 0.5132240 0.3223354 0.3223354), wk = 0.0043290 k( 219) = ( 0.5137530 0.3352288 0.3352288), wk = 0.0043290 k( 220) = ( 0.5142819 0.3481222 0.3481222), wk = 0.0043290 k( 221) = ( 0.5148109 0.3610156 0.3610156), wk = 0.0043290 k( 222) = ( 0.5153399 0.3739090 0.3739090), wk = 0.0043290 k( 223) = ( 0.5158688 0.3868024 0.3868024), wk = 0.0043290 k( 224) = ( 0.5163978 0.3996958 0.3996958), wk = 0.0043290 k( 225) = ( 0.5169267 0.4125893 0.4125893), wk = 0.0043290 k( 226) = ( 0.5174557 0.4254827 0.4254827), wk = 0.0043290 k( 227) = ( 0.5179847 0.4383761 0.4383761), wk = 0.0043290 k( 228) = ( 0.5185136 0.4512695 0.4512695), wk = 0.0043290 k( 229) = ( 0.5190426 0.4641629 0.4641629), wk = 0.0043290 k( 230) = ( 0.5195715 0.4770563 0.4770563), wk = 0.0043290 k( 231) = ( 0.5201005 0.4899497 0.4899497), wk = 0.0043290 Dense grid: 128293 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 56573 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 460, 68) NL pseudopotentials 0.52 Mb ( 230, 148) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 4009) G-vector shells 0.02 Mb ( 3166) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.91 Mb ( 460, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.31 Mb ( 148, 2, 68) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Bi2O3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.6 secs Computing kpt #: 5 total cpu time spent up to now is 13.1 secs Computing kpt #: 6 total cpu time spent up to now is 15.7 secs Computing kpt #: 7 total cpu time spent up to now is 18.3 secs Computing kpt #: 8 total cpu time spent up to now is 21.1 secs Computing kpt #: 9 total cpu time spent up to now is 24.0 secs Computing kpt #: 10 total cpu time spent up to now is 26.4 secs Computing kpt #: 11 total cpu time spent up to now is 29.1 secs Computing kpt #: 12 total cpu time spent up to now is 31.6 secs Computing kpt #: 13 total cpu time spent up to now is 34.1 secs Computing kpt #: 14 total cpu time spent up to now is 36.3 secs Computing kpt #: 15 total cpu time spent up to now is 38.3 secs Computing kpt #: 16 total cpu time spent up to now is 40.8 secs Computing kpt #: 17 total cpu time spent up to now is 43.2 secs Computing kpt #: 18 total cpu time spent up to now is 45.6 secs Computing kpt #: 19 total cpu time spent up to now is 48.0 secs Computing kpt #: 20 total cpu time spent up to now is 50.5 secs Computing kpt #: 21 total cpu time spent up to now is 53.2 secs Computing kpt #: 22 total cpu time spent up to now is 55.8 secs Computing kpt #: 23 total cpu time spent up to now is 58.8 secs Computing kpt #: 24 total cpu time spent up to now is 61.7 secs Computing kpt #: 25 total cpu time spent up to now is 64.8 secs Computing kpt #: 26 total cpu time spent up to now is 67.7 secs Computing kpt #: 27 total cpu time spent up to now is 70.4 secs Computing kpt #: 28 total cpu time spent up to now is 72.9 secs Computing kpt #: 29 total cpu time spent up to now is 75.3 secs Computing kpt #: 30 total cpu time spent up to now is 77.8 secs Computing kpt #: 31 total cpu time spent up to now is 80.3 secs Computing kpt #: 32 total cpu time spent up to now is 83.0 secs Computing kpt #: 33 total cpu time spent up to now is 85.7 secs Computing kpt #: 34 total cpu time spent up to now is 88.4 secs Computing kpt #: 35 total cpu time spent up to now is 91.1 secs Computing kpt #: 36 total cpu time spent up to now is 93.8 secs Computing kpt #: 37 total cpu time spent up to now is 96.6 secs Computing kpt #: 38 total cpu time spent up to now is 100.5 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.6 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.7 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.7 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.7 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.8 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.9 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.9 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.9 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 48 total cpu time spent up to now is 139.9 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.7 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.7 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.6 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 54 total cpu time spent up to now is 163.0 secs Computing kpt #: 55 total cpu time spent up to now is 166.6 secs Computing kpt #: 56 total cpu time spent up to now is 169.4 secs Computing kpt #: 57 total cpu time spent up to now is 172.4 secs Computing kpt #: 58 total cpu time spent up to now is 175.3 secs Computing kpt #: 59 total cpu time spent up to now is 178.5 secs Computing kpt #: 60 total cpu time spent up to now is 181.6 secs Computing kpt #: 61 total cpu time spent up to now is 185.0 secs Computing kpt #: 62 total cpu time spent up to now is 188.1 secs Computing kpt #: 63 total cpu time spent up to now is 191.0 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.2 secs Computing kpt #: 65 total cpu time spent up to now is 198.2 secs Computing kpt #: 66 total cpu time spent up to now is 201.3 secs Computing kpt #: 67 total cpu time spent up to now is 204.3 secs Computing kpt #: 68 total cpu time spent up to now is 207.2 secs Computing kpt #: 69 total cpu time spent up to now is 210.1 secs Computing kpt #: 70 total cpu time spent up to now is 213.1 secs Computing kpt #: 71 total cpu time spent up to now is 215.9 secs Computing kpt #: 72 total cpu time spent up to now is 218.8 secs Computing kpt #: 73 total cpu time spent up to now is 221.7 secs Computing kpt #: 74 total cpu time spent up to now is 224.6 secs Computing kpt #: 75 total cpu time spent up to now is 227.5 secs Computing kpt #: 76 total cpu time spent up to now is 230.5 secs Computing kpt #: 77 total cpu time spent up to now is 236.3 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.2 secs Computing kpt #: 79 total cpu time spent up to now is 242.7 secs Computing kpt #: 80 total cpu time spent up to now is 245.3 secs Computing kpt #: 81 total cpu time spent up to now is 247.4 secs Computing kpt #: 82 total cpu time spent up to now is 249.7 secs Computing kpt #: 83 total cpu time spent up to now is 251.9 secs Computing kpt #: 84 total cpu time spent up to now is 254.1 secs Computing kpt #: 85 total cpu time spent up to now is 256.2 secs Computing kpt #: 86 total cpu time spent up to now is 258.2 secs Computing kpt #: 87 total cpu time spent up to now is 260.2 secs Computing kpt #: 88 total cpu time spent up to now is 262.3 secs Computing kpt #: 89 total cpu time spent up to now is 264.5 secs Computing kpt #: 90 total cpu time spent up to now is 266.8 secs Computing kpt #: 91 total cpu time spent up to now is 269.2 secs Computing kpt #: 92 total cpu time spent up to now is 271.3 secs Computing kpt #: 93 total cpu time spent up to now is 274.0 secs Computing kpt #: 94 total cpu time spent up to now is 277.8 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.5 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.3 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.1 secs Computing kpt #: 98 total cpu time spent up to now is 291.6 secs Computing kpt #: 99 total cpu time spent up to now is 293.7 secs Computing kpt #: 100 total cpu time spent up to now is 295.7 secs Computing kpt #: 101 total cpu time spent up to now is 297.7 secs Computing kpt #: 102 total cpu time spent up to now is 299.7 secs Computing kpt #: 103 total cpu time spent up to now is 301.7 secs Computing kpt #: 104 total cpu time spent up to now is 303.7 secs Computing kpt #: 105 total cpu time spent up to now is 305.7 secs Computing kpt #: 106 total cpu time spent up to now is 307.7 secs Computing kpt #: 107 total cpu time spent up to now is 309.8 secs Computing kpt #: 108 total cpu time spent up to now is 311.9 secs Computing kpt #: 109 total cpu time spent up to now is 313.9 secs Computing kpt #: 110 total cpu time spent up to now is 316.0 secs Computing kpt #: 111 total cpu time spent up to now is 318.4 secs Computing kpt #: 112 total cpu time spent up to now is 320.6 secs Computing kpt #: 113 total cpu time spent up to now is 323.0 secs Computing kpt #: 114 total cpu time spent up to now is 325.3 secs Computing kpt #: 115 total cpu time spent up to now is 327.4 secs Computing kpt #: 116 total cpu time spent up to now is 329.5 secs Computing kpt #: 117 total cpu time spent up to now is 331.7 secs Computing kpt #: 118 total cpu time spent up to now is 333.9 secs Computing kpt #: 119 total cpu time spent up to now is 336.0 secs Computing kpt #: 120 total cpu time spent up to now is 338.3 secs Computing kpt #: 121 total cpu time spent up to now is 340.6 secs Computing kpt #: 122 total cpu time spent up to now is 343.1 secs Computing kpt #: 123 total cpu time spent up to now is 345.5 secs Computing kpt #: 124 total cpu time spent up to now is 348.1 secs Computing kpt #: 125 total cpu time spent up to now is 350.7 secs Computing kpt #: 126 total cpu time spent up to now is 353.6 secs Computing kpt #: 127 total cpu time spent up to now is 356.5 secs Computing kpt #: 128 total cpu time spent up to now is 359.6 secs Computing kpt #: 129 total cpu time spent up to now is 363.3 secs Computing kpt #: 130 total cpu time spent up to now is 366.6 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.5 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.4 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.3 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.2 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 386.1 secs Computing kpt #: 136 total cpu time spent up to now is 389.9 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.7 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 397.6 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 401.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.3 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 416.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.8 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.6 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.5 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 436.4 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 440.2 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.1 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.0 secs Computing kpt #: 152 total cpu time spent up to now is 450.8 secs Computing kpt #: 153 total cpu time spent up to now is 453.3 secs Computing kpt #: 154 total cpu time spent up to now is 455.3 secs Computing kpt #: 155 total cpu time spent up to now is 457.5 secs Computing kpt #: 156 total cpu time spent up to now is 459.5 secs Computing kpt #: 157 total cpu time spent up to now is 461.6 secs Computing kpt #: 158 total cpu time spent up to now is 463.8 secs Computing kpt #: 159 total cpu time spent up to now is 465.7 secs Computing kpt #: 160 total cpu time spent up to now is 467.8 secs Computing kpt #: 161 total cpu time spent up to now is 469.8 secs Computing kpt #: 162 total cpu time spent up to now is 471.8 secs Computing kpt #: 163 total cpu time spent up to now is 473.9 secs Computing kpt #: 164 total cpu time spent up to now is 476.3 secs Computing kpt #: 165 total cpu time spent up to now is 478.7 secs Computing kpt #: 166 total cpu time spent up to now is 480.8 secs Computing kpt #: 167 total cpu time spent up to now is 483.7 secs Computing kpt #: 168 total cpu time spent up to now is 487.5 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.4 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.3 secs Computing kpt #: 171 total cpu time spent up to now is 498.2 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.1 secs Computing kpt #: 173 total cpu time spent up to now is 505.1 secs Computing kpt #: 174 total cpu time spent up to now is 508.3 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 512.2 secs Computing kpt #: 176 total cpu time spent up to now is 515.2 secs Computing kpt #: 177 total cpu time spent up to now is 518.0 secs Computing kpt #: 178 total cpu time spent up to now is 520.9 secs Computing kpt #: 179 total cpu time spent up to now is 523.8 secs Computing kpt #: 180 total cpu time spent up to now is 526.8 secs Computing kpt #: 181 total cpu time spent up to now is 529.7 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.8 secs Computing kpt #: 183 total cpu time spent up to now is 539.1 secs Computing kpt #: 184 total cpu time spent up to now is 542.2 secs Computing kpt #: 185 total cpu time spent up to now is 545.2 secs Computing kpt #: 186 total cpu time spent up to now is 548.2 secs Computing kpt #: 187 total cpu time spent up to now is 551.1 secs Computing kpt #: 188 total cpu time spent up to now is 554.1 secs Computing kpt #: 189 total cpu time spent up to now is 557.0 secs Computing kpt #: 190 total cpu time spent up to now is 560.0 secs Computing kpt #: 191 total cpu time spent up to now is 562.9 secs Computing kpt #: 192 total cpu time spent up to now is 565.8 secs Computing kpt #: 193 total cpu time spent up to now is 568.3 secs Computing kpt #: 194 total cpu time spent up to now is 570.8 secs Computing kpt #: 195 total cpu time spent up to now is 573.4 secs Computing kpt #: 196 total cpu time spent up to now is 576.0 secs Computing kpt #: 197 total cpu time spent up to now is 578.6 secs Computing kpt #: 198 total cpu time spent up to now is 581.2 secs Computing kpt #: 199 total cpu time spent up to now is 583.7 secs Computing kpt #: 200 total cpu time spent up to now is 586.2 secs Computing kpt #: 201 total cpu time spent up to now is 588.7 secs Computing kpt #: 202 total cpu time spent up to now is 591.3 secs Computing kpt #: 203 total cpu time spent up to now is 593.8 secs Computing kpt #: 204 total cpu time spent up to now is 596.3 secs Computing kpt #: 205 total cpu time spent up to now is 598.8 secs Computing kpt #: 206 total cpu time spent up to now is 601.4 secs Computing kpt #: 207 total cpu time spent up to now is 603.9 secs Computing kpt #: 208 total cpu time spent up to now is 606.4 secs Computing kpt #: 209 total cpu time spent up to now is 608.9 secs Computing kpt #: 210 total cpu time spent up to now is 611.5 secs Computing kpt #: 211 total cpu time spent up to now is 614.3 secs Computing kpt #: 212 total cpu time spent up to now is 616.9 secs Computing kpt #: 213 total cpu time spent up to now is 619.7 secs Computing kpt #: 214 total cpu time spent up to now is 622.6 secs Computing kpt #: 215 total cpu time spent up to now is 625.5 secs Computing kpt #: 216 total cpu time spent up to now is 627.7 secs Computing kpt #: 217 total cpu time spent up to now is 630.2 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 634.0 secs Computing kpt #: 219 total cpu time spent up to now is 637.4 secs Computing kpt #: 220 total cpu time spent up to now is 641.2 secs Computing kpt #: 221 total cpu time spent up to now is 644.9 secs Computing kpt #: 222 total cpu time spent up to now is 648.0 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 652.0 secs Computing kpt #: 224 total cpu time spent up to now is 655.8 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 659.8 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 663.9 secs Computing kpt #: 227 total cpu time spent up to now is 667.0 secs Computing kpt #: 228 total cpu time spent up to now is 670.1 secs Computing kpt #: 229 total cpu time spent up to now is 673.1 secs Computing kpt #: 230 total cpu time spent up to now is 676.0 secs Computing kpt #: 231 total cpu time spent up to now is 679.0 secs ethr = 1.79E-11, avg # of iterations = 68.7 total cpu time spent up to now is 679.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7047 PWs) bands (ev): -13.8440 -13.8440 -12.8321 -12.8321 -12.8310 -12.8310 -12.5436 -12.5436 -12.1309 -12.1309 -12.1146 -12.1146 -5.5432 -5.5432 -5.5169 -5.5169 -5.4131 -5.4131 -2.9156 -2.9156 -0.4159 -0.4159 0.0543 0.0543 0.1774 0.1774 1.0472 1.0472 1.0907 1.0907 1.3924 1.3924 1.4423 1.4423 1.8989 1.8989 2.0387 2.0387 2.4456 2.4456 2.5435 2.5435 2.5519 2.5519 3.0318 3.0318 3.1008 3.1008 3.1839 3.1839 3.3394 3.3394 3.8471 3.8471 3.9191 3.9191 6.3022 6.3022 6.7015 6.7015 6.7091 6.7091 8.5557 8.5557 8.7024 8.7024 8.9092 8.9092 k = 0.0179-0.0004-0.0004 ( 7053 PWs) bands (ev): -13.8436 -13.8433 -12.8336 -12.8334 -12.8313 -12.8306 -12.5429 -12.5419 -12.1315 -12.1310 -12.1155 -12.1144 -5.5550 -5.5441 -5.5232 -5.5209 -5.4043 -5.3954 -2.9170 -2.9169 -0.4179 -0.4138 0.0530 0.0540 0.1765 0.1795 1.0448 1.0471 1.0891 1.0921 1.3870 1.3942 1.4372 1.4488 1.8915 1.9052 2.0347 2.0397 2.4335 2.4564 2.5436 2.5447 2.5518 2.5560 3.0276 3.0377 3.0979 3.1063 3.1847 3.1853 3.3377 3.3393 3.8462 3.8467 3.9168 3.9202 6.2917 6.3123 6.6950 6.6979 6.7126 6.7235 8.5494 8.5570 8.6998 8.7059 8.9065 8.9155 k = 0.0357-0.0007-0.0007 ( 7056 PWs) bands (ev): -13.8421 -13.8414 -12.8389 -12.8386 -12.8305 -12.8291 -12.5396 -12.5377 -12.1328 -12.1318 -12.1170 -12.1148 -5.5792 -5.5629 -5.5278 -5.5239 -5.3754 -5.3625 -2.9210 -2.9207 -0.4197 -0.4118 0.0498 0.0528 0.1762 0.1831 1.0405 1.0441 1.0878 1.0931 1.3795 1.3909 1.4352 1.4553 1.8836 1.9097 2.0275 2.0385 2.4209 2.4653 2.5458 2.5474 2.5562 2.5628 3.0253 3.0447 3.0978 3.1142 3.1876 3.1889 3.3344 3.3375 3.8441 3.8451 3.9132 3.9200 6.2815 6.3214 6.6873 6.6976 6.7247 6.7430 8.5383 8.5539 8.6972 8.7108 8.9079 8.9246 k = 0.0536-0.0011-0.0011 ( 7060 PWs) bands (ev): -13.8394 -13.8384 -12.8477 -12.8472 -12.8287 -12.8267 -12.5342 -12.5314 -12.1349 -12.1334 -12.1191 -12.1159 -5.6090 -5.5921 -5.5272 -5.5241 -5.3377 -5.3232 -2.9276 -2.9271 -0.4214 -0.4099 0.0444 0.0510 0.1762 0.1882 1.0348 1.0384 1.0866 1.0932 1.3707 1.3827 1.4364 1.4609 1.8754 1.9114 2.0174 2.0359 2.4082 2.4719 2.5504 2.5532 2.5635 2.5719 3.0250 3.0521 3.1010 3.1241 3.1925 3.1944 3.3294 3.3344 3.8407 3.8421 3.9085 3.9188 6.2719 6.3290 6.6829 6.7018 6.7400 6.7667 8.5228 8.5470 8.6932 8.7169 8.9141 8.9357 k = 0.0714-0.0015-0.0015 ( 7059 PWs) bands (ev): -13.8355 -13.8342 -12.8594 -12.8587 -12.8261 -12.8234 -12.5269 -12.5233 -12.1379 -12.1358 -12.1217 -12.1174 -5.6401 -5.6234 -5.5252 -5.5228 -5.2958 -5.2804 -2.9367 -2.9361 -0.4227 -0.4082 0.0368 0.0491 0.1762 0.1950 1.0279 1.0304 1.0851 1.0924 1.3609 1.3712 1.4393 1.4654 1.8672 1.9094 2.0047 2.0330 2.3961 2.4760 2.5571 2.5626 2.5728 2.5827 3.0263 3.0588 3.1079 3.1359 3.1991 3.2015 3.3231 3.3302 3.8358 3.8375 3.9031 3.9167 6.2637 6.3351 6.6820 6.7107 6.7581 6.7945 8.5034 8.5373 8.6869 8.7237 8.9250 8.9483 k = 0.0893-0.0019-0.0018 ( 7066 PWs) bands (ev): -13.8306 -13.8290 -12.8736 -12.8726 -12.8227 -12.8193 -12.5181 -12.5137 -12.1419 -12.1393 -12.1245 -12.1193 -5.6709 -5.6546 -5.5225 -5.5206 -5.2511 -5.2353 -2.9484 -2.9476 -0.4237 -0.4068 0.0270 0.0471 0.1760 0.2032 1.0202 1.0205 1.0830 1.0906 1.3505 1.3578 1.4427 1.4684 1.8590 1.9030 1.9901 2.0305 2.3852 2.4783 2.5656 2.5751 2.5839 2.5954 3.0291 3.0645 3.1181 3.1491 3.2066 3.2093 3.3161 3.3259 3.8293 3.8313 3.8973 3.9140 6.2571 6.3395 6.6842 6.7241 6.7787 6.8264 8.4805 8.5253 8.6775 8.7308 8.9400 8.9619 k = 0.1071-0.0022-0.0022 ( 7072 PWs) bands (ev): -13.8245 -13.8226 -12.8900 -12.8887 -12.8185 -12.8144 -12.5082 -12.5032 -12.1470 -12.1438 -12.1275 -12.1214 -5.7008 -5.6849 -5.5192 -5.5177 -5.2043 -5.1884 -2.9626 -2.9616 -0.4241 -0.4056 0.0152 0.0454 0.1753 0.2125 1.0089 1.0117 1.0801 1.0879 1.3396 1.3434 1.4459 1.4700 1.8508 1.8925 1.9743 2.0283 2.3763 2.4797 2.5755 2.5893 2.5970 2.6096 3.0331 3.0692 3.1306 3.1631 3.2141 3.2164 3.3097 3.3228 3.8207 3.8232 3.8917 3.9113 6.2527 6.3426 6.6894 6.7418 6.8014 6.8623 8.4545 8.5117 8.6649 8.7376 8.9576 8.9763 k = 0.1250-0.0026-0.0026 ( 7064 PWs) bands (ev): -13.8173 -13.8151 -12.9083 -12.9066 -12.8134 -12.8088 -12.4976 -12.4918 -12.1532 -12.1494 -12.1306 -12.1237 -5.7295 -5.7141 -5.5154 -5.5142 -5.1559 -5.1400 -2.9792 -2.9781 -0.4241 -0.4049 0.0018 0.0437 0.1743 0.2226 0.9960 1.0024 1.0767 1.0846 1.3285 1.3287 1.4484 1.4701 1.8426 1.8789 1.9580 2.0253 2.3704 2.4811 2.5864 2.6032 2.6130 2.6253 3.0380 3.0734 3.1440 3.1770 3.2198 3.2213 3.3061 3.3228 3.8099 3.8132 3.8867 3.9087 6.2506 6.3448 6.6972 6.7633 6.8262 6.9021 8.4256 8.4967 8.6490 8.7437 8.9763 8.9912 k = 0.1429-0.0030-0.0029 ( 7061 PWs) bands (ev): -13.8091 -13.8065 -12.9280 -12.9260 -12.8076 -12.8024 -12.4863 -12.4800 -12.1605 -12.1561 -12.1338 -12.1262 -5.7568 -5.7419 -5.5111 -5.5102 -5.1061 -5.0903 -2.9981 -2.9969 -0.4235 -0.4045 -0.0132 0.0421 0.1730 0.2332 0.9817 0.9922 1.0728 1.0810 1.3139 1.3172 1.4498 1.4688 1.8345 1.8633 1.9418 2.0204 2.3683 2.4829 2.5978 2.6162 2.6317 2.6425 3.0434 3.0773 3.1562 3.1889 3.2222 3.2231 3.3081 3.3278 3.7968 3.8012 3.8827 3.9066 6.2511 6.3465 6.7075 6.7880 6.8528 6.9455 8.3941 8.4807 8.6300 8.7489 8.9940 9.0063 k = 0.1607-0.0034-0.0033 ( 7064 PWs) bands (ev): -13.7997 -13.7968 -12.9491 -12.9466 -12.8011 -12.7952 -12.4747 -12.4680 -12.1688 -12.1638 -12.1371 -12.1289 -5.7827 -5.7684 -5.5065 -5.5057 -5.0550 -5.0394 -3.0194 -3.0180 -0.4224 -0.4045 -0.0294 0.0402 0.1717 0.2440 0.9661 0.9811 1.0689 1.0772 1.2994 1.3058 1.4498 1.4663 1.8267 1.8472 1.9262 2.0125 2.3707 2.4857 2.6095 2.6286 2.6521 2.6609 3.0490 3.0810 3.1638 3.1928 3.2239 3.2259 3.3167 3.3379 3.7813 3.7871 3.8799 3.9052 6.2545 6.3484 6.7198 6.8155 6.8811 6.9921 8.3601 8.4636 8.6082 8.7526 9.0089 9.0216 k = 0.1786-0.0037-0.0037 ( 7070 PWs) bands (ev): -13.7893 -13.7861 -12.9712 -12.9684 -12.7938 -12.7874 -12.4630 -12.4558 -12.1779 -12.1724 -12.1406 -12.1318 -5.8071 -5.7934 -5.5015 -5.5009 -5.0028 -4.9875 -3.0429 -3.0414 -0.4206 -0.4049 -0.0466 0.0377 0.1706 0.2548 0.9492 0.9691 1.0655 1.0736 1.2854 1.2945 1.4478 1.4626 1.8196 1.8317 1.9113 2.0009 2.3779 2.4899 2.6210 2.6404 2.6737 2.6806 3.0546 3.0844 3.1626 3.1844 3.2284 3.2360 3.3305 3.3522 3.7638 3.7711 3.8784 3.9047 6.2609 6.3509 6.7338 6.8454 6.9110 7.0415 8.3238 8.4457 8.5841 8.7546 9.0200 9.0371 k = 0.1964-0.0041-0.0040 ( 7066 PWs) bands (ev): -13.7778 -13.7744 -12.9942 -12.9911 -12.7858 -12.7789 -12.4511 -12.4435 -12.1879 -12.1819 -12.1443 -12.1350 -5.8300 -5.8170 -5.4962 -5.4958 -4.9497 -4.9347 -3.0685 -3.0669 -0.4182 -0.4055 -0.0646 0.0343 0.1702 0.2653 0.9311 0.9562 1.0629 1.0702 1.2721 1.2831 1.4435 1.4579 1.8138 1.8179 1.8971 1.9855 2.3898 2.4958 2.6320 2.6515 2.6962 2.7012 3.0598 3.0872 3.1526 3.1687 3.2379 3.2494 3.3475 3.3689 3.7444 3.7534 3.8781 3.9051 6.2705 6.3543 6.7491 6.8772 6.9423 7.0932 8.2853 8.4269 8.5580 8.7548 9.0275 9.0525 k = 0.2143-0.0045-0.0044 ( 7062 PWs) bands (ev): -13.7653 -13.7616 -13.0180 -13.0145 -12.7772 -12.7698 -12.4393 -12.4314 -12.1985 -12.1921 -12.1482 -12.1384 -5.8515 -5.8390 -5.4908 -5.4904 -4.8957 -4.8811 -3.0961 -3.0945 -0.4151 -0.4065 -0.0831 0.0294 0.1709 0.2753 0.9119 0.9423 1.0615 1.0672 1.2597 1.2718 1.4367 1.4525 1.8066 1.8101 1.8833 1.9665 2.4060 2.5036 2.6420 2.6615 2.7193 2.7228 3.0641 3.0884 3.1378 3.1499 3.2502 3.2635 3.3660 3.3868 3.7233 3.7340 3.8791 3.9065 6.2832 6.3592 6.7653 6.9107 6.9749 7.1464 8.2448 8.4072 8.5309 8.7531 9.0322 9.0679 k = 0.2321-0.0049-0.0048 ( 7068 PWs) bands (ev): -13.7518 -13.7478 -13.0425 -13.0387 -12.7680 -12.7601 -12.4276 -12.4195 -12.2097 -12.2031 -12.1523 -12.1420 -5.8714 -5.8597 -5.4852 -5.4849 -4.8411 -4.8270 -3.1257 -3.1240 -0.4116 -0.4077 -0.1018 0.0228 0.1730 0.2847 0.8918 0.9276 1.0615 1.0644 1.2482 1.2605 1.4271 1.4465 1.7985 1.8089 1.8697 1.9443 2.4259 2.5135 2.6507 2.6700 2.7429 2.7452 3.0665 3.0853 3.1237 3.1305 3.2632 3.2774 3.3851 3.4051 3.7008 3.7132 3.8811 3.9089 6.2992 6.3657 6.7821 6.9455 7.0085 7.2004 8.2024 8.3866 8.5037 8.7496 9.0352 9.0831 k = 0.2500-0.0052-0.0051 ( 7079 PWs) bands (ev): -13.7374 -13.7331 -13.0675 -13.0634 -12.7583 -12.7500 -12.4160 -12.4078 -12.2215 -12.2147 -12.1567 -12.1459 -5.8900 -5.8789 -5.4795 -5.4793 -4.7860 -4.7725 -3.1570 -3.1553 -0.4091 -0.4075 -0.1205 0.0144 0.1767 0.2934 0.8711 0.9121 1.0618 1.0628 1.2379 1.2494 1.4150 1.4403 1.7940 1.8103 1.8563 1.9197 2.4489 2.5256 2.6577 2.6768 2.7667 2.7682 3.0648 3.0734 3.1134 3.1162 3.2759 3.2907 3.4039 3.4230 3.6771 3.6912 3.8844 3.9121 6.3185 6.3741 6.7990 6.9814 7.0430 7.2541 8.1586 8.3648 8.4774 8.7447 9.0371 9.0979 k = 0.2679-0.0056-0.0055 ( 7075 PWs) bands (ev): -13.7220 -13.7175 -13.0930 -13.0885 -12.7481 -12.7394 -12.4046 -12.3965 -12.2335 -12.2267 -12.1612 -12.1500 -5.9070 -5.8967 -5.4738 -5.4736 -4.7307 -4.7177 -3.1899 -3.1883 -0.4105 -0.4029 -0.1390 0.0040 0.1822 0.3013 0.8502 0.8961 1.0593 1.0653 1.2290 1.2386 1.4007 1.4342 1.7933 1.8127 1.8446 1.8932 2.4742 2.5397 2.6626 2.6814 2.7907 2.7915 3.0544 3.0556 3.1030 3.1146 3.2878 3.3033 3.4221 3.4401 3.6525 3.6682 3.8886 3.9162 6.3410 6.3845 6.8157 7.0178 7.0780 7.3064 8.1137 8.3416 8.4535 8.7392 9.0386 9.1119 k = 0.2857-0.0060-0.0059 ( 7062 PWs) bands (ev): -13.7057 -13.7010 -13.1188 -13.1141 -12.7374 -12.7285 -12.3936 -12.3856 -12.2458 -12.2392 -12.1659 -12.1544 -5.9227 -5.9130 -5.4681 -5.4680 -4.6752 -4.6629 -3.2243 -3.2227 -0.4120 -0.3980 -0.1570 -0.0081 0.1894 0.3084 0.8293 0.8794 1.0567 1.0687 1.2215 1.2283 1.3848 1.4286 1.7959 1.8095 1.8407 1.8660 2.5013 2.5557 2.6649 2.6834 2.8146 2.8151 3.0332 3.0392 3.0994 3.1151 3.2985 3.3150 3.4392 3.4561 3.6272 3.6444 3.8938 3.9210 6.3664 6.3970 6.8318 7.0543 7.1134 7.3558 8.0682 8.3167 8.4334 8.7339 9.0398 9.1247 k = 0.3036-0.0064-0.0062 ( 7063 PWs) bands (ev): -13.6885 -13.6836 -13.1449 -13.1399 -12.7265 -12.7173 -12.3828 -12.3752 -12.2580 -12.2519 -12.1707 -12.1590 -5.9369 -5.9280 -5.4626 -5.4625 -4.6199 -4.6084 -3.2600 -3.2584 -0.4133 -0.3930 -0.1740 -0.0218 0.1980 0.3146 0.8087 0.8623 1.0540 1.0725 1.2159 1.2187 1.3682 1.4240 1.7968 1.7989 1.8413 1.8484 2.5297 2.5732 2.6642 2.6823 2.8382 2.8387 3.0124 3.0203 3.0987 3.1160 3.3080 3.3258 3.4549 3.4707 3.6013 3.6200 3.8998 3.9263 6.3947 6.4116 6.8469 7.0901 7.1490 7.4010 8.0227 8.2894 8.4191 8.7301 9.0408 9.1358 k = 0.3214-0.0067-0.0066 ( 7072 PWs) bands (ev): -13.6705 -13.6654 -13.1711 -13.1659 -12.7153 -12.7060 -12.3723 -12.3655 -12.2700 -12.2647 -12.1757 -12.1638 -5.9498 -5.9417 -5.4573 -5.4573 -4.5652 -4.5543 -3.2966 -3.2952 -0.4144 -0.3880 -0.1897 -0.0367 0.2080 0.3200 0.7890 0.8448 1.0510 1.0760 1.2100 1.2123 1.3519 1.4206 1.7795 1.7890 1.8323 1.8621 2.5588 2.5915 2.6601 2.6783 2.8610 2.8620 2.9937 3.0020 3.0986 3.1166 3.3162 3.3355 3.4690 3.4839 3.5754 3.5953 3.9064 3.9319 6.4255 6.4282 6.8608 7.1244 7.1846 7.4404 7.9778 8.2593 8.4123 8.7290 9.0417 9.1445 k = 0.3393-0.0071-0.0070 ( 7077 PWs) bands (ev): -13.6518 -13.6465 -13.1975 -13.1920 -12.7040 -12.6947 -12.3623 -12.3569 -12.2813 -12.2775 -12.1808 -12.1688 -5.9613 -5.9540 -5.4523 -5.4523 -4.5112 -4.5011 -3.3340 -3.3327 -0.4152 -0.3833 -0.2037 -0.0525 0.2190 0.3245 0.7703 0.8270 1.0478 1.0786 1.2025 1.2105 1.3370 1.4188 1.7603 1.7632 1.8422 1.8789 2.5881 2.6088 2.6525 2.6722 2.8825 2.8844 2.9783 2.9859 3.0983 3.1166 3.3230 3.3442 3.4809 3.4956 3.5500 3.5705 3.9135 3.9377 6.4466 6.4581 6.8733 7.1555 7.2202 7.4733 7.9345 8.2261 8.4150 8.7318 9.0421 9.1502 k = 0.3571-0.0075-0.0073 ( 7080 PWs) bands (ev): -13.6324 -13.6269 -13.2238 -13.2182 -12.6928 -12.6836 -12.3530 -12.3498 -12.2912 -12.2899 -12.1859 -12.1740 -5.9715 -5.9649 -5.4476 -5.4476 -4.4584 -4.4492 -3.3717 -3.3706 -0.4157 -0.3793 -0.2155 -0.0690 0.2309 0.3282 0.7530 0.8091 1.0447 1.0798 1.1961 1.2100 1.3252 1.4188 1.7334 1.7398 1.8589 1.8976 2.6163 2.6203 2.6420 2.6689 2.9012 2.9050 2.9679 2.9734 3.0976 3.1161 3.3282 3.3517 3.4889 3.5058 3.5273 3.5461 3.9209 3.9434 6.4667 6.4920 6.8846 7.1815 7.2557 7.4997 7.8933 8.1896 8.4285 8.7393 9.0421 9.1519 k = 0.3750-0.0079-0.0077 ( 7072 PWs) bands (ev): -13.6123 -13.6068 -13.2499 -13.2442 -12.6817 -12.6729 -12.3453 -12.3445 -12.3015 -12.2987 -12.1910 -12.1792 -5.9804 -5.9746 -5.4433 -5.4433 -4.4074 -4.3991 -3.4092 -3.4083 -0.4156 -0.3765 -0.2245 -0.0859 0.2433 0.3310 0.7374 0.7913 1.0418 1.0793 1.1908 1.2095 1.3181 1.4206 1.7028 1.7184 1.8787 1.9173 2.6175 2.6238 2.6482 2.6767 2.9144 2.9214 2.9649 2.9668 3.0967 3.1152 3.3320 3.3580 3.4846 3.5143 3.5160 3.5226 3.9283 3.9488 6.4882 6.5261 6.8951 7.1997 7.2911 7.5214 7.8548 8.1499 8.4534 8.7520 9.0411 9.1489 k = 0.3929-0.0082-0.0081 ( 7080 PWs) bands (ev): -13.5917 -13.5861 -13.2758 -13.2700 -12.6711 -12.6628 -12.3447 -12.3381 -12.3110 -12.3022 -12.1959 -12.1845 -5.9880 -5.9830 -5.4395 -5.4395 -4.3588 -4.3515 -3.4458 -3.4452 -0.4150 -0.3753 -0.2302 -0.1030 0.2559 0.3329 0.7238 0.7738 1.0394 1.0771 1.1865 1.2076 1.3175 1.4239 1.6729 1.6966 1.9003 1.9372 2.6034 2.6078 2.6741 2.6932 2.9196 2.9290 2.9697 2.9707 3.0960 3.1143 3.3341 3.3627 3.4662 3.4999 3.5188 3.5219 3.9354 3.9537 6.5107 6.5589 6.9057 7.2074 7.3265 7.5408 7.8196 8.1074 8.4894 8.7697 9.0390 9.1399 k = 0.4107-0.0086-0.0084 ( 7073 PWs) bands (ev): -13.5708 -13.5652 -13.3011 -13.2954 -12.6611 -12.6536 -12.3479 -12.3372 -12.3148 -12.3017 -12.2004 -12.1898 -5.9943 -5.9901 -5.4362 -5.4362 -4.3136 -4.3072 -3.4808 -3.4804 -0.4137 -0.3759 -0.2323 -0.1200 0.2685 0.3338 0.7125 0.7570 1.0379 1.0736 1.1831 1.2036 1.3238 1.4282 1.6445 1.6748 1.9225 1.9564 2.5853 2.5896 2.6991 2.7119 2.9197 2.9285 2.9803 2.9816 3.0961 3.1137 3.3347 3.3652 3.4463 3.4796 3.5243 3.5278 3.9422 3.9579 6.5336 6.5885 6.9179 7.2028 7.3619 7.5598 7.7889 8.0624 8.5352 8.7918 9.0352 9.1232 k = 0.4286-0.0090-0.0088 ( 7079 PWs) bands (ev): -13.5499 -13.5444 -13.3257 -13.3200 -12.6521 -12.6455 -12.3529 -12.3427 -12.3117 -12.2991 -12.2044 -12.1949 -5.9994 -5.9960 -5.4334 -5.4334 -4.2728 -4.2676 -3.5130 -3.5128 -0.4117 -0.3783 -0.2308 -0.1367 0.2807 0.3336 0.7037 0.7413 1.0374 1.0689 1.1806 1.1982 1.3360 1.4324 1.6191 1.6533 1.9442 1.9736 2.5666 2.5712 2.7215 2.7299 2.9182 2.9255 2.9918 2.9925 3.0978 3.1140 3.3338 3.3644 3.4299 3.4617 3.5294 3.5325 3.9484 3.9612 6.5564 6.6128 6.9335 7.1862 7.3972 7.5769 7.7658 8.0158 8.5890 8.8169 9.0291 9.0969 k = 0.4464-0.0094-0.0092 ( 7074 PWs) bands (ev): -13.5293 -13.5241 -13.3488 -13.3434 -12.6443 -12.6390 -12.3579 -12.3499 -12.3064 -12.2962 -12.2076 -12.1997 -6.0032 -6.0007 -5.4312 -5.4312 -4.2380 -4.2339 -3.5410 -3.5409 -0.4090 -0.3820 -0.2259 -0.1529 0.2922 0.3322 0.6978 0.7272 1.0381 1.0636 1.1790 1.1925 1.3523 1.4346 1.5985 1.6328 1.9642 1.9879 2.5498 2.5542 2.7404 2.7457 2.9168 2.9224 3.0006 3.0010 3.1016 3.1152 3.3320 3.3591 3.4197 3.4469 3.5336 3.5360 3.9538 3.9636 6.5784 6.6295 6.9544 7.1597 7.4324 7.5861 7.7562 7.9683 8.6486 8.8425 9.0203 9.0604 k = 0.4643-0.0097-0.0095 ( 7076 PWs) bands (ev): -13.5102 -13.5057 -13.3692 -13.3646 -12.6381 -12.6344 -12.3617 -12.3562 -12.3013 -12.2940 -12.2096 -12.2039 -6.0058 -6.0042 -5.4296 -5.4296 -4.2109 -4.2081 -3.5630 -3.5630 -0.4055 -0.3867 -0.2182 -0.1683 0.3026 0.3294 0.6950 0.7152 1.0401 1.0580 1.1784 1.1874 1.3711 1.4323 1.5854 1.6140 1.9812 1.9978 2.5366 2.5401 2.7550 2.7581 2.9159 2.9197 3.0062 3.0065 3.1069 3.1168 3.3305 3.3501 3.4160 3.4352 3.5367 3.5383 3.9582 3.9649 6.5987 6.6377 6.9814 7.1263 7.4672 7.5803 7.7661 7.9208 8.7115 8.8631 9.0085 9.0185 k = 0.4821-0.0101-0.0099 ( 7074 PWs) bands (ev): -13.4948 -13.4919 -13.3842 -13.3813 -12.6338 -12.6319 -12.3637 -12.3609 -12.2971 -12.2934 -12.2103 -12.2072 -6.0072 -6.0064 -5.4286 -5.4286 -4.1933 -4.1919 -3.5772 -3.5772 -0.4014 -0.3917 -0.2081 -0.1829 0.3116 0.3251 0.6954 0.7057 1.0433 1.0525 1.1788 1.1833 1.3907 1.4236 1.5815 1.5980 1.9938 2.0025 2.5286 2.5305 2.7645 2.7658 2.9156 2.9176 3.0090 3.0092 3.1123 3.1175 3.3307 3.3409 3.4167 3.4265 3.5387 3.5395 3.9616 3.9650 6.6162 6.6373 7.0141 7.0890 7.5010 7.5607 7.7933 7.8745 8.7743 8.8646 8.9864 8.9943 k = 0.5000-0.0105-0.0103 ( 7066 PWs) bands (ev): -13.4874 -13.4874 -13.3891 -13.3891 -12.6317 -12.6317 -12.3634 -12.3634 -12.2944 -12.2944 -12.2094 -12.2094 -6.0074 -6.0074 -5.4283 -5.4283 -4.1867 -4.1867 -3.5821 -3.5821 -0.3967 -0.3967 -0.1962 -0.1962 0.3192 0.3192 0.6990 0.6990 1.0475 1.0475 1.1804 1.1804 1.4090 1.4090 1.5864 1.5864 2.0011 2.0011 2.5265 2.5265 2.7681 2.7681 2.9162 2.9162 3.0099 3.0099 3.1161 3.1161 3.3340 3.3340 3.4204 3.4204 3.5396 3.5396 3.9639 3.9639 6.6296 6.6296 7.0507 7.0507 7.5329 7.5329 7.8311 7.8311 8.8306 8.8306 8.9823 8.9823 k = 0.5000-0.0105-0.0103 ( 7066 PWs) bands (ev): -13.4874 -13.4874 -13.3891 -13.3891 -12.6317 -12.6317 -12.3634 -12.3634 -12.2944 -12.2944 -12.2094 -12.2094 -6.0074 -6.0074 -5.4283 -5.4283 -4.1867 -4.1867 -3.5821 -3.5821 -0.3967 -0.3967 -0.1962 -0.1962 0.3192 0.3192 0.6990 0.6990 1.0475 1.0475 1.1804 1.1804 1.4090 1.4090 1.5864 1.5864 2.0011 2.0011 2.5265 2.5265 2.7681 2.7681 2.9162 2.9162 3.0099 3.0099 3.1161 3.1161 3.3340 3.3340 3.4204 3.4204 3.5396 3.5396 3.9639 3.9639 6.6296 6.6296 7.0507 7.0507 7.5329 7.5329 7.8311 7.8311 8.8306 8.8306 8.9823 8.9823 k = 0.5000 0.0022-0.0232 ( 7074 PWs) bands (ev): -13.4873 -13.4866 -13.3889 -13.3886 -12.6338 -12.6312 -12.3696 -12.3603 -12.2963 -12.2902 -12.2105 -12.2083 -6.0072 -6.0071 -5.4275 -5.4273 -4.1875 -4.1869 -3.5835 -3.5817 -0.4014 -0.3910 -0.2120 -0.1795 0.3067 0.3304 0.6732 0.7220 1.0111 1.0825 1.1724 1.1905 1.4048 1.4154 1.5823 1.5933 1.9927 2.0092 2.5244 2.5264 2.7642 2.7696 2.9058 2.9241 3.0064 3.0147 3.1131 3.1175 3.3333 3.3350 3.4155 3.4274 3.5395 3.5409 3.9628 3.9641 6.6016 6.6598 7.0461 7.0564 7.5169 7.5488 7.8204 7.8417 8.8158 8.8441 8.9760 8.9922 k = 0.5000 0.0148-0.0360 ( 7078 PWs) bands (ev): -13.4861 -13.4847 -13.3880 -13.3873 -12.6374 -12.6322 -12.3778 -12.3609 -12.2954 -12.2847 -12.2116 -12.2071 -6.0064 -6.0063 -5.4250 -5.4245 -4.1891 -4.1878 -3.5856 -3.5822 -0.4052 -0.3843 -0.2269 -0.1617 0.2930 0.3405 0.6453 0.7409 0.9758 1.1144 1.1667 1.2021 1.4034 1.4239 1.5807 1.6031 1.9837 2.0168 2.5202 2.5243 2.7575 2.7688 2.8936 2.9290 3.0042 3.0206 3.1088 3.1171 3.3329 3.3361 3.4130 3.4361 3.5404 3.5431 3.9609 3.9634 6.5756 6.6922 7.0423 7.0638 7.5009 7.5650 7.8102 7.8518 8.7998 8.8558 8.9731 9.0058 k = 0.5000 0.0274-0.0489 ( 7074 PWs) bands (ev): -13.4840 -13.4819 -13.3863 -13.3854 -12.6424 -12.6347 -12.3874 -12.3649 -12.2919 -12.2786 -12.2125 -12.2059 -6.0051 -6.0048 -5.4207 -5.4201 -4.1915 -4.1896 -3.5887 -3.5836 -0.4080 -0.3766 -0.2410 -0.1428 0.2780 0.3497 0.6157 0.7529 0.9455 1.1421 1.1635 1.2145 1.4052 1.4340 1.5816 1.6157 1.9744 2.0239 2.5137 2.5203 2.7476 2.7662 2.8803 2.9305 3.0035 3.0274 3.1036 3.1151 3.3328 3.3374 3.4127 3.4462 3.5424 3.5461 3.9581 3.9619 6.5515 6.7262 7.0387 7.0731 7.4847 7.5815 7.8012 7.8613 8.7828 8.8660 8.9732 9.0224 k = 0.5000 0.0401-0.0618 ( 7064 PWs) bands (ev): -13.4808 -13.4781 -13.3839 -13.3827 -12.6486 -12.6388 -12.3979 -12.3716 -12.2867 -12.2724 -12.2135 -12.2048 -6.0031 -6.0028 -5.4147 -5.4139 -4.1948 -4.1923 -3.5926 -3.5859 -0.4100 -0.3679 -0.2543 -0.1226 0.2618 0.3582 0.5847 0.7532 0.9257 1.1607 1.1673 1.2264 1.4103 1.4461 1.5846 1.6310 1.9648 2.0307 2.5048 2.5144 2.7344 2.7619 2.8665 2.9284 3.0045 3.0348 3.0984 3.1116 3.3328 3.3388 3.4146 3.4572 3.5453 3.5496 3.9547 3.9596 6.5289 6.7611 7.0348 7.0852 7.4684 7.5986 7.7943 7.8701 8.7644 8.8747 8.9755 9.0407 k = 0.5000 0.0527-0.0747 ( 7068 PWs) bands (ev): -13.4767 -13.4733 -13.3808 -13.3793 -12.6561 -12.6441 -12.4090 -12.3801 -12.2807 -12.2663 -12.2144 -12.2038 -6.0004 -6.0000 -5.4072 -5.4062 -4.1990 -4.1959 -3.5976 -3.5893 -0.4110 -0.3582 -0.2671 -0.1011 0.2444 0.3664 0.5529 0.7386 0.9208 1.1625 1.1858 1.2367 1.4184 1.4603 1.5895 1.6487 1.9549 2.0371 2.4935 2.5069 2.7179 2.7563 2.8526 2.9232 3.0069 3.0420 3.0940 3.1072 3.3330 3.3401 3.4185 3.4686 3.5489 3.5533 3.9506 3.9567 6.5074 6.7955 7.0300 7.1008 7.4522 7.6164 7.7903 7.8786 8.7440 8.8823 8.9798 9.0584 k = 0.5000 0.0653-0.0876 ( 7064 PWs) bands (ev): -13.4716 -13.4676 -13.3770 -13.3752 -12.6646 -12.6508 -12.4205 -12.3898 -12.2747 -12.2605 -12.2153 -12.2029 -5.9970 -5.9965 -5.3982 -5.3969 -4.2040 -4.2004 -3.6035 -3.5939 -0.4113 -0.3476 -0.2791 -0.0784 0.2261 0.3746 0.5207 0.7119 0.9285 1.1649 1.2020 1.2448 1.4283 1.4771 1.5961 1.6681 1.9450 2.0433 2.4797 2.4977 2.6986 2.7498 2.8385 2.9153 3.0103 3.0475 3.0918 3.1028 3.3331 3.3415 3.4239 3.4798 3.5528 3.5572 3.9460 3.9533 6.4867 6.8275 7.0238 7.1210 7.4361 7.6347 7.7900 7.8876 8.7206 8.8891 8.9852 9.0722 k = 0.5000 0.0779-0.1005 ( 7068 PWs) bands (ev): -13.4656 -13.4610 -13.3726 -13.3704 -12.6739 -12.6585 -12.4323 -12.4003 -12.2690 -12.2553 -12.2162 -12.2022 -5.9927 -5.9920 -5.3878 -5.3863 -4.2099 -4.2058 -3.6105 -3.5997 -0.4108 -0.3361 -0.2903 -0.0543 0.2069 0.3829 0.4889 0.6788 0.9438 1.1684 1.2150 1.2512 1.4390 1.4964 1.6042 1.6889 1.9354 2.0492 2.4633 2.4871 2.6774 2.7425 2.8241 2.9051 3.0137 3.0501 3.0909 3.1019 3.3332 3.3429 3.4304 3.4905 3.5566 3.5612 3.9410 3.9494 6.4666 6.8548 7.0159 7.1466 7.4203 7.6533 7.7939 7.8985 8.6930 8.8952 8.9911 9.0791 k = 0.5000 0.0906-0.1134 ( 7070 PWs) bands (ev): -13.4588 -13.4535 -13.3674 -13.3649 -12.6840 -12.6672 -12.4443 -12.4114 -12.2640 -12.2507 -12.2172 -12.2018 -5.9875 -5.9865 -5.3761 -5.3744 -4.2166 -4.2121 -3.6187 -3.6068 -0.4095 -0.3246 -0.3002 -0.0290 0.1869 0.3912 0.4584 0.6436 0.9629 1.1723 1.2242 1.2572 1.4497 1.5176 1.6136 1.7102 1.9263 2.0551 2.4446 2.4748 2.6551 2.7350 2.8089 2.8931 3.0162 3.0499 3.0882 3.1084 3.3332 3.3443 3.4374 3.5000 3.5597 3.5656 3.9357 3.9453 6.4468 6.8751 7.0066 7.1781 7.4049 7.6722 7.8015 7.9133 8.6604 8.9001 8.9963 9.0801 k = 0.5000 0.1032-0.1263 ( 7060 PWs) bands (ev): -13.4510 -13.4453 -13.3615 -13.3587 -12.6946 -12.6766 -12.4565 -12.4230 -12.2598 -12.2469 -12.2183 -12.2018 -5.9812 -5.9799 -5.3633 -5.3614 -4.2243 -4.2194 -3.6282 -3.6153 -0.4074 -0.3186 -0.3030 -0.0026 0.1663 0.3979 0.4321 0.6085 0.9836 1.1764 1.2288 1.2646 1.4603 1.5398 1.6241 1.7316 1.9183 2.0611 2.4237 2.4609 2.6329 2.7276 2.7926 2.8796 3.0165 3.0484 3.0865 3.1195 3.3331 3.3457 3.4446 3.5076 3.5618 3.5706 3.9303 3.9411 6.4274 6.8864 6.9969 7.2145 7.3899 7.6917 7.8113 7.9350 8.6223 8.9028 9.0000 9.0811 k = 0.5000 0.1158-0.1392 ( 7060 PWs) bands (ev): -13.4425 -13.4363 -13.3549 -13.3519 -12.7055 -12.6866 -12.4688 -12.4350 -12.2567 -12.2439 -12.2193 -12.2021 -5.9739 -5.9721 -5.3496 -5.3475 -4.2328 -4.2276 -3.6390 -3.6254 -0.4047 -0.3248 -0.2921 0.0246 0.1450 0.3905 0.4232 0.5750 1.0049 1.1801 1.2290 1.2737 1.4707 1.5621 1.6355 1.7521 1.9123 2.0673 2.4009 2.4454 2.6114 2.7205 2.7751 2.8647 3.0143 3.0454 3.0883 3.1329 3.3328 3.3469 3.4512 3.5128 3.5629 3.5761 3.9249 3.9368 6.4082 6.8872 6.9886 7.2535 7.3755 7.7126 7.8216 7.9656 8.5791 8.9015 9.0024 9.0864 k = 0.5000 0.1285-0.1521 ( 7066 PWs) bands (ev): -13.4333 -13.4266 -13.3477 -13.3443 -12.7167 -12.6971 -12.4812 -12.4473 -12.2547 -12.2420 -12.2204 -12.2029 -5.9653 -5.9629 -5.3350 -5.3327 -4.2421 -4.2367 -3.6513 -3.6371 -0.4014 -0.3330 -0.2775 0.0520 0.1238 0.3699 0.4317 0.5439 1.0259 1.1830 1.2261 1.2836 1.4809 1.5838 1.6476 1.7709 1.9092 2.0740 2.3765 2.4283 2.5913 2.7140 2.7564 2.8488 3.0105 3.0406 3.0944 3.1477 3.3324 3.3481 3.4569 3.5150 3.5633 3.5823 3.9197 3.9328 6.3893 6.8774 6.9828 7.2908 7.3628 7.7357 7.8324 8.0059 8.5314 8.8947 9.0046 9.0964 k = 0.5000 0.1411-0.1650 ( 7076 PWs) bands (ev): -13.4234 -13.4165 -13.3398 -13.3361 -12.7279 -12.7077 -12.4936 -12.4597 -12.2539 -12.2412 -12.2215 -12.2041 -5.9553 -5.9524 -5.3197 -5.3173 -4.2523 -4.2467 -3.6652 -3.6506 -0.3975 -0.3408 -0.2619 0.0758 0.1061 0.3503 0.4440 0.5161 1.0460 1.1845 1.2214 1.2935 1.4910 1.6046 1.6600 1.7869 1.9104 2.0813 2.3509 2.4099 2.5730 2.7080 2.7365 2.8320 3.0057 3.0341 3.1037 3.1632 3.3318 3.3491 3.4610 3.5140 3.5629 3.5887 3.9146 3.9289 6.3708 6.8588 6.9791 7.3155 7.3595 7.7594 7.8471 8.0546 8.4803 8.8816 9.0065 9.1083 k = 0.5000 0.1537-0.1779 ( 7080 PWs) bands (ev): -13.4130 -13.4059 -13.3311 -13.3271 -12.7391 -12.7185 -12.5061 -12.4724 -12.2542 -12.2416 -12.2226 -12.2060 -5.9439 -5.9403 -5.3039 -5.3012 -4.2634 -4.2576 -3.6807 -3.6660 -0.3932 -0.3475 -0.2455 0.0716 0.1161 0.3348 0.4558 0.4938 1.0645 1.1836 1.2161 1.3031 1.5008 1.6242 1.6724 1.7995 1.9170 2.0894 2.3245 2.3906 2.5563 2.7025 2.7158 2.8146 3.0005 3.0266 3.1153 3.1791 3.3309 3.3498 3.4629 3.5098 3.5622 3.5951 3.9099 3.9255 6.3529 6.8339 6.9761 7.3120 7.3790 7.7789 7.8725 8.1098 8.4268 8.8631 9.0069 9.1173 k = 0.5000 0.1664-0.1908 ( 7076 PWs) bands (ev): -13.4022 -13.3950 -13.3217 -13.3174 -12.7500 -12.7291 -12.5185 -12.4851 -12.2558 -12.2432 -12.2239 -12.2084 -5.9310 -5.9266 -5.2876 -5.2848 -4.2753 -4.2694 -3.6980 -3.6833 -0.3887 -0.3528 -0.2286 0.0515 0.1411 0.3247 0.4553 0.4886 1.0809 1.1791 1.2123 1.3123 1.5104 1.6425 1.6845 1.8086 1.9292 2.0985 2.2977 2.3710 2.5411 2.6926 2.6992 2.7971 2.9950 3.0186 3.1284 3.1952 3.3298 3.3503 3.4622 3.5026 3.5613 3.6012 3.9057 3.9224 6.3356 6.8050 6.9729 7.2960 7.4037 7.7903 7.9134 8.1691 8.3721 8.8402 9.0054 9.1269 k = 0.5000 0.1790-0.2037 ( 7078 PWs) bands (ev): -13.3912 -13.3840 -13.3115 -13.3068 -12.7605 -12.7394 -12.5310 -12.4980 -12.2584 -12.2458 -12.2257 -12.2115 -5.9165 -5.9112 -5.2710 -5.2681 -4.2881 -4.2820 -3.7171 -3.7025 -0.3847 -0.3559 -0.2113 0.0307 0.1653 0.3212 0.4405 0.5024 1.0942 1.1701 1.2111 1.3209 1.5197 1.6594 1.6961 1.8155 1.9462 2.1085 2.2709 2.3518 2.5268 2.6714 2.6937 2.7800 2.9893 3.0101 3.1425 3.2111 3.3284 3.3504 3.4585 3.4926 3.5604 3.6064 3.9019 3.9198 6.3191 6.7735 6.9688 7.2761 7.4249 7.7952 7.9671 8.2284 8.3187 8.8146 9.0029 9.1392 k = 0.5000 0.1916-0.2166 ( 7076 PWs) bands (ev): -13.3800 -13.3731 -13.3004 -13.2953 -12.7704 -12.7493 -12.5433 -12.5108 -12.2621 -12.2494 -12.2281 -12.2153 -5.9003 -5.8941 -5.2542 -5.2513 -4.3016 -4.2954 -3.7380 -3.7238 -0.3819 -0.3561 -0.1938 0.0110 0.1857 0.3253 0.4254 0.5210 1.1037 1.1577 1.2126 1.3291 1.5288 1.6752 1.7070 1.8216 1.9666 2.1192 2.2444 2.3336 2.5132 2.6494 2.6887 2.7638 2.9834 3.0013 3.1572 3.2265 3.3267 3.3502 3.4516 3.4799 3.5597 3.6107 3.8987 3.9177 6.3036 6.7405 6.9636 7.2536 7.4417 7.7965 8.0279 8.2531 8.3004 8.7887 9.0005 9.1532 k = 0.5000 0.2043-0.2295 ( 7086 PWs) bands (ev): -13.3690 -13.3624 -13.2885 -13.2828 -12.7798 -12.7586 -12.5555 -12.5236 -12.2667 -12.2538 -12.2312 -12.2198 -5.8825 -5.8753 -5.2374 -5.2345 -4.3161 -4.3096 -3.7609 -3.7471 -0.3806 -0.3530 -0.1764 -0.0067 0.2013 0.3370 0.4133 0.5415 1.1079 1.1438 1.2162 1.3370 1.5375 1.6895 1.7172 1.8280 1.9893 2.1301 2.2186 2.3175 2.4997 2.6276 2.6829 2.7495 2.9772 2.9922 3.1722 3.2409 3.3249 3.3495 3.4416 3.4647 3.5590 3.6137 3.8961 3.9161 6.2892 6.7067 6.9572 7.2290 7.4547 7.7959 8.0841 8.2162 8.3481 8.7664 8.9991 9.1680 k = 0.5000 0.2169-0.2423 ( 7088 PWs) bands (ev): -13.3582 -13.3522 -13.2756 -13.2693 -12.7883 -12.7672 -12.5677 -12.5363 -12.2721 -12.2591 -12.2353 -12.2250 -5.8628 -5.8546 -5.2208 -5.2178 -4.3313 -4.3245 -3.7855 -3.7723 -0.3802 -0.3473 -0.1591 -0.0217 0.2128 0.3537 0.4058 0.5631 1.1046 1.1317 1.2214 1.3449 1.5460 1.7024 1.7270 1.8356 2.0130 2.1402 2.1941 2.3043 2.4863 2.6064 2.6756 2.7378 2.9708 2.9829 3.1874 3.2538 3.3231 3.3485 3.4287 3.4474 3.5581 3.6154 3.8941 3.9150 6.2761 6.6727 6.9496 7.2023 7.4647 7.7941 8.0944 8.2244 8.3876 8.7539 8.9990 9.1828 k = 0.5000 0.2295-0.2552 ( 7084 PWs) bands (ev): -13.3479 -13.3426 -13.2616 -13.2547 -12.7959 -12.7749 -12.5796 -12.5490 -12.2784 -12.2652 -12.2404 -12.2311 -5.8414 -5.8321 -5.2042 -5.2013 -4.3475 -4.3402 -3.8118 -3.7993 -0.3796 -0.3401 -0.1425 -0.0334 0.2219 0.3678 0.4081 0.5850 1.0921 1.1242 1.2276 1.3529 1.5543 1.7130 1.7370 1.8445 2.0365 2.1478 2.1723 2.2954 2.4729 2.5859 2.6665 2.7291 2.9640 2.9735 3.2025 3.2641 3.3216 3.3477 3.4133 3.4282 3.5568 3.6158 3.8926 3.9144 6.2645 6.6389 6.9406 7.1737 7.4726 7.7914 8.0529 8.2862 8.4069 8.7583 9.0006 9.1972 k = 0.5000 0.2422-0.2681 ( 7094 PWs) bands (ev): -13.3383 -13.3337 -13.2467 -13.2391 -12.8025 -12.7816 -12.5914 -12.5615 -12.2853 -12.2720 -12.2464 -12.2379 -5.8181 -5.8078 -5.1881 -5.1852 -4.3646 -4.3566 -3.8398 -3.8280 -0.3784 -0.3320 -0.1271 -0.0410 0.2303 0.3720 0.4251 0.6068 1.0746 1.1191 1.2341 1.3614 1.5623 1.7208 1.7476 1.8551 2.0568 2.1483 2.1590 2.2921 2.4598 2.5662 2.6562 2.7230 2.9569 2.9641 3.2171 3.2704 3.3203 3.3477 3.3958 3.4076 3.5550 3.6148 3.8917 3.9142 6.2544 6.6057 6.9302 7.1436 7.4789 7.7878 7.9988 8.3580 8.4056 8.7819 9.0037 9.2106 k = 0.5000 0.2548-0.2810 ( 7106 PWs) bands (ev): -13.3294 -13.3255 -13.2308 -13.2225 -12.8080 -12.7873 -12.6030 -12.5738 -12.2929 -12.2796 -12.2534 -12.2454 -5.7930 -5.7815 -5.1723 -5.1696 -4.3827 -4.3738 -3.8692 -3.8581 -0.3762 -0.3235 -0.1138 -0.0434 0.2391 0.3715 0.4497 0.6278 1.0555 1.1146 1.2405 1.3704 1.5702 1.7254 1.7593 1.8670 2.0673 2.1444 2.1571 2.2949 2.4475 2.5474 2.6454 2.7187 2.9492 2.9550 3.2307 3.2718 3.3182 3.3492 3.3776 3.3863 3.5526 3.6124 3.8914 3.9145 6.2459 6.5735 6.9182 7.1123 7.4842 7.7833 7.9420 8.3688 8.4483 8.8197 9.0086 9.2224 k = 0.5000 0.2674-0.2939 ( 7104 PWs) bands (ev): -13.3213 -13.3182 -13.2140 -13.2050 -12.8122 -12.7918 -12.6143 -12.5860 -12.3011 -12.2878 -12.2614 -12.2536 -5.7661 -5.7534 -5.1571 -5.1544 -4.4019 -4.3918 -3.8997 -3.8894 -0.3731 -0.3147 -0.1032 -0.0400 0.2486 0.3711 0.4757 0.6471 1.0368 1.1109 1.2467 1.3799 1.5776 1.7270 1.7716 1.8804 2.0621 2.1482 2.1606 2.3028 2.4368 2.5295 2.6348 2.7153 2.9407 2.9466 3.2423 3.2688 3.3129 3.3453 3.3648 3.3680 3.5496 3.6088 3.8915 3.9151 6.2391 6.5424 6.9043 7.0805 7.4887 7.7771 7.8851 8.3315 8.5264 8.8636 9.0155 9.2312 k = 0.5000 0.2801-0.3068 ( 7114 PWs) bands (ev): -13.3142 -13.3116 -13.1963 -13.1867 -12.8153 -12.7950 -12.6254 -12.5980 -12.3098 -12.2967 -12.2703 -12.2625 -5.7373 -5.7235 -5.1425 -5.1399 -4.4223 -4.4109 -3.9311 -3.9216 -0.3690 -0.3061 -0.0951 -0.0311 0.2593 0.3718 0.5009 0.6636 1.0197 1.1087 1.2527 1.3900 1.5845 1.7256 1.7844 1.8949 2.0474 2.1438 2.1805 2.3138 2.4289 2.5130 2.6248 2.7122 2.9317 2.9388 3.2494 3.2634 3.3024 3.3266 3.3494 3.3727 3.5461 3.6041 3.8921 3.9161 6.2340 6.5127 6.8882 7.0489 7.4927 7.7669 7.8315 8.2842 8.6052 8.9069 9.0252 9.2348 k = 0.5000 0.2927-0.3197 ( 7114 PWs) bands (ev): -13.3079 -13.3058 -13.1778 -13.1678 -12.8171 -12.7970 -12.6362 -12.6097 -12.3190 -12.3061 -12.2799 -12.2721 -5.7067 -5.6917 -5.1287 -5.1261 -4.4441 -4.4310 -3.9630 -3.9543 -0.3639 -0.2976 -0.0881 -0.0183 0.2711 0.3737 0.5240 0.6764 1.0051 1.1089 1.2587 1.4005 1.5905 1.7213 1.7973 1.9103 2.0298 2.1364 2.2059 2.3257 2.4249 2.4982 2.6158 2.7089 2.9226 2.9314 3.2462 3.2594 3.2850 3.3038 3.3417 3.3829 3.5422 3.5983 3.8932 3.9173 6.2308 6.4846 6.8695 7.0181 7.4962 7.7413 7.7931 8.2315 8.6824 8.9439 9.0398 9.2320 k = 0.5000 0.3053-0.3326 ( 7114 PWs) bands (ev): -13.3026 -13.3009 -13.1588 -13.1483 -12.8176 -12.7977 -12.6468 -12.6213 -12.3285 -12.3160 -12.2902 -12.2823 -5.6743 -5.6582 -5.1156 -5.1131 -4.4673 -4.4526 -3.9949 -3.9869 -0.3580 -0.2895 -0.0808 -0.0034 0.2840 0.3770 0.5444 0.6846 0.9939 1.1123 1.2651 1.4113 1.5952 1.7142 1.8102 1.9262 2.0125 2.1283 2.2323 2.3363 2.4259 2.4860 2.6078 2.7052 2.9137 2.9243 3.2342 3.2529 3.2631 3.2803 3.3431 3.3943 3.5379 3.5918 3.8947 3.9188 6.2293 6.4582 6.8479 6.9889 7.4991 7.6943 7.7768 8.1757 8.7570 8.9701 9.0618 9.2243 k = 0.5000 0.3180-0.3455 ( 7106 PWs) bands (ev): -13.2982 -13.2966 -13.1392 -13.1284 -12.8168 -12.7972 -12.6571 -12.6326 -12.3384 -12.3264 -12.3011 -12.2930 -5.6401 -5.6228 -5.1033 -5.1008 -4.4923 -4.4758 -4.0265 -4.0191 -0.3513 -0.2818 -0.0724 0.0124 0.2978 0.3813 0.5613 0.6875 0.9867 1.1195 1.2723 1.4221 1.5980 1.7044 1.8229 1.9417 1.9972 2.1203 2.2578 2.3446 2.4318 2.4775 2.6011 2.7008 2.9053 2.9175 3.2176 3.2339 3.2446 3.2579 3.3506 3.4059 3.5336 3.5845 3.8965 3.9205 6.2296 6.4339 6.8233 6.9616 7.5008 7.6424 7.7675 8.1181 8.8281 8.9852 9.0903 9.2154 k = 0.5000 0.3306-0.3584 ( 7110 PWs) bands (ev): -13.2946 -13.2930 -13.1192 -13.1083 -12.8148 -12.7956 -12.6671 -12.6437 -12.3485 -12.3371 -12.3123 -12.3042 -5.6043 -5.5858 -5.0920 -5.0895 -4.5193 -4.5009 -4.0571 -4.0504 -0.3440 -0.2747 -0.0627 0.0285 0.3125 0.3866 0.5745 0.6854 0.9837 1.1302 1.2807 1.4327 1.5984 1.6924 1.8353 1.9533 1.9878 2.1129 2.2808 2.3516 2.4400 2.4749 2.5963 2.6958 2.8976 2.9110 3.1966 3.2083 3.2257 3.2377 3.3615 3.4173 3.5294 3.5767 3.8987 3.9222 6.2317 6.4116 6.7959 6.9360 7.4995 7.5937 7.7597 8.0598 8.8946 8.9931 9.1215 9.2081 k = 0.5000 0.3432-0.3713 ( 7104 PWs) bands (ev): -13.2918 -13.2901 -13.0990 -13.0880 -12.8118 -12.7928 -12.6768 -12.6546 -12.3587 -12.3481 -12.3239 -12.3158 -5.5668 -5.5471 -5.0816 -5.0790 -4.5485 -4.5282 -4.0864 -4.0801 -0.3362 -0.2682 -0.0518 0.0444 0.3279 0.3927 0.5840 0.6788 0.9846 1.1441 1.2905 1.4429 1.5954 1.6789 1.8471 1.9533 1.9922 2.1064 2.2994 2.3586 2.4476 2.4799 2.5941 2.6903 2.8908 2.9050 3.1717 3.1820 3.2043 3.2176 3.3741 3.4280 3.5254 3.5687 3.9012 3.9240 6.2355 6.3917 6.7665 6.9114 7.4893 7.5566 7.7521 8.0017 8.9553 8.9974 9.1524 9.2038 k = 0.5000 0.3558-0.3842 ( 7102 PWs) bands (ev): -13.2896 -13.2879 -13.0787 -13.0678 -12.8077 -12.7892 -12.6863 -12.6653 -12.3689 -12.3592 -12.3355 -12.3276 -5.5277 -5.5069 -5.0721 -5.0695 -4.5800 -4.5581 -4.1137 -4.1079 -0.3280 -0.2623 -0.0398 0.0595 0.3438 0.3994 0.5897 0.6689 0.9892 1.1603 1.3021 1.4525 1.5883 1.6651 1.8580 1.9458 2.0062 2.1011 2.3132 2.3661 2.4557 2.4896 2.5959 2.6850 2.8848 2.8994 3.1448 3.1554 3.1819 3.1955 3.3874 3.4379 3.5219 3.5605 3.9039 3.9259 6.2409 6.3741 6.7360 6.8867 7.4629 7.5395 7.7444 7.9447 8.9955 9.0136 9.1814 9.2032 k = 0.5000 0.3685-0.3971 ( 7096 PWs) bands (ev): -13.2880 -13.2862 -13.0585 -13.0478 -12.8028 -12.7849 -12.6955 -12.6758 -12.3789 -12.3702 -12.3471 -12.3395 -5.4871 -5.4652 -5.0636 -5.0608 -4.6140 -4.5905 -4.1389 -4.1333 -0.3196 -0.2572 -0.0270 0.0735 0.3600 0.4068 0.5921 0.6565 0.9970 1.1775 1.3156 1.4613 1.5766 1.6517 1.8679 1.9382 2.0221 2.0970 2.3235 2.3729 2.4665 2.4992 2.6031 2.6809 2.8798 2.8943 3.1174 3.1284 3.1584 3.1713 3.4007 3.4467 3.5191 3.5524 3.9069 3.9276 6.2479 6.3591 6.7054 6.8610 7.4289 7.5351 7.7365 7.8896 8.9985 9.0581 9.1998 9.2128 k = 0.5000 0.3811-0.4100 ( 7082 PWs) bands (ev): -13.2868 -13.2850 -13.0385 -13.0281 -12.7971 -12.7800 -12.7044 -12.6862 -12.3886 -12.3811 -12.3585 -12.3513 -5.4451 -5.4221 -5.0561 -5.0531 -4.6505 -4.6257 -4.1614 -4.1562 -0.3111 -0.2529 -0.0136 0.0860 0.3765 0.4146 0.5915 0.6426 1.0077 1.1945 1.3310 1.4688 1.5607 1.6389 1.8762 1.9324 2.0379 2.0942 2.3322 2.3781 2.4788 2.5065 2.6162 2.6794 2.8757 2.8898 3.0903 3.1016 3.1335 3.1451 3.4138 3.4542 3.5171 3.5447 3.9099 3.9292 6.2563 6.3466 6.6756 6.8336 7.3972 7.5338 7.7283 7.8374 9.0000 9.0945 9.2046 9.2252 k = 0.5000 0.3937-0.4229 ( 7078 PWs) bands (ev): -13.2860 -13.2843 -13.0189 -13.0090 -12.7910 -12.7748 -12.7131 -12.6964 -12.3978 -12.3916 -12.3694 -12.3629 -5.4017 -5.3777 -5.0495 -5.0463 -4.6894 -4.6637 -4.1812 -4.1764 -0.3026 -0.2493 0.0003 0.0966 0.3930 0.4230 0.5884 0.6279 1.0209 1.2101 1.3482 1.4749 1.5424 1.6264 1.8830 1.9290 2.0524 2.0927 2.3410 2.3822 2.4891 2.5117 2.6343 2.6829 2.8725 2.8859 3.0641 3.0753 3.1070 3.1170 3.4264 3.4602 3.5160 3.5374 3.9130 3.9307 6.2659 6.3368 6.6473 6.8039 7.3714 7.5323 7.7199 7.7894 9.0020 9.1195 9.2092 9.2218 k = 0.5000 0.4064-0.4357 ( 7072 PWs) bands (ev): -13.2854 -13.2839 -13.0000 -12.9908 -12.7847 -12.7696 -12.7214 -12.7064 -12.4063 -12.4014 -12.3798 -12.3740 -5.3572 -5.3321 -5.0438 -5.0404 -4.7306 -4.7041 -4.1981 -4.1938 -0.2944 -0.2467 0.0143 0.1049 0.4095 0.4320 0.5834 0.6129 1.0364 1.2228 1.3668 1.4789 1.5238 1.6135 1.8881 1.9276 2.0653 2.0924 2.3507 2.3856 2.4952 2.5151 2.6559 2.6934 2.8702 2.8827 3.0391 3.0498 3.0792 3.0877 3.4381 3.4647 3.5157 3.5309 3.9161 3.9319 6.2765 6.3296 6.6213 6.7722 7.3529 7.5283 7.7112 7.7474 9.0051 9.1316 9.2139 9.2174 k = 0.5000 0.4190-0.4486 ( 7074 PWs) bands (ev): -13.2851 -13.2837 -12.9822 -12.9738 -12.7783 -12.7646 -12.7293 -12.7161 -12.4140 -12.4104 -12.3893 -12.3844 -5.3117 -5.2854 -5.0392 -5.0354 -4.7736 -4.7468 -4.2123 -4.2085 -0.2864 -0.2450 0.0282 0.1106 0.4256 0.4415 0.5769 0.5979 1.0539 1.2315 1.3863 1.4800 1.5079 1.5996 1.8922 1.9276 2.0763 2.0931 2.3614 2.3889 2.4976 2.5155 2.6801 2.7113 2.8686 2.8801 3.0157 3.0255 3.0502 3.0573 3.4486 3.4679 3.5158 3.5255 3.9191 3.9329 6.2877 6.3249 6.5984 6.7388 7.3418 7.5201 7.7007 7.7147 9.0095 9.1310 9.2173 9.2200 k = 0.5000 0.4316-0.4615 ( 7070 PWs) bands (ev): -13.2849 -13.2837 -12.9656 -12.9583 -12.7721 -12.7602 -12.7366 -12.7254 -12.4207 -12.4183 -12.3978 -12.3938 -5.2652 -5.2379 -5.0355 -5.0311 -4.8183 -4.7915 -4.2238 -4.2206 -0.2789 -0.2442 0.0420 0.1137 0.4413 0.4516 0.5691 0.5831 1.0733 1.2349 1.4062 1.4765 1.4981 1.5847 1.8960 1.9279 2.0851 2.0945 2.3729 2.3922 2.4981 2.5124 2.7071 2.7349 2.8677 2.8783 2.9942 3.0022 3.0210 3.0266 3.4576 3.4700 3.5158 3.5217 3.9219 3.9335 6.2989 6.3226 6.5797 6.7049 7.3380 7.5058 7.6837 7.6982 9.0153 9.1220 9.2222 9.2248 k = 0.5000 0.4443-0.4744 ( 7066 PWs) bands (ev): -13.2848 -13.2838 -12.9509 -12.9449 -12.7664 -12.7566 -12.7431 -12.7341 -12.4262 -12.4249 -12.4050 -12.4019 -5.2181 -5.1895 -5.0328 -5.0275 -4.8641 -4.8379 -4.2327 -4.2302 -0.2720 -0.2444 0.0553 0.1141 0.4561 0.4622 0.5604 0.5688 1.0943 1.2320 1.4257 1.4705 1.4942 1.5688 1.9001 1.9275 2.0918 2.0964 2.3842 2.3957 2.4976 2.5069 2.7364 2.7622 2.8674 2.8770 2.9731 2.9785 2.9947 2.9968 3.4648 3.4715 3.5149 3.5201 3.9246 3.9338 6.3092 6.3222 6.5662 6.6715 7.3409 7.4855 7.6693 7.6890 9.0225 9.1091 9.2277 9.2293 k = 0.5000 0.4569-0.4873 ( 7058 PWs) bands (ev): -13.2848 -13.2840 -12.9386 -12.9340 -12.7614 -12.7541 -12.7483 -12.7417 -12.4305 -12.4299 -12.4108 -12.4086 -5.1706 -5.1406 -5.0315 -5.0244 -4.9105 -4.8854 -4.2392 -4.2374 -0.2657 -0.2455 0.0679 0.1119 0.4698 0.4731 0.5512 0.5555 1.1165 1.2225 1.4440 1.4664 1.4926 1.5522 1.9046 1.9261 2.0966 2.0983 2.3941 2.3995 2.4963 2.5008 2.7677 2.7917 2.8674 2.8764 2.9463 2.9541 2.9723 2.9757 3.4698 3.4725 3.5142 3.5194 3.9269 3.9337 6.3177 6.3232 6.5592 6.6399 7.3499 7.4610 7.6622 7.6811 9.0312 9.0950 9.2323 9.2330 k = 0.5000 0.4695-0.5002 ( 7062 PWs) bands (ev): -13.2847 -13.2842 -12.9294 -12.9264 -12.7574 -12.7533 -12.7514 -12.7477 -12.4334 -12.4333 -12.4147 -12.4134 -5.1234 -5.0913 -5.0325 -5.0213 -4.9562 -4.9340 -4.2435 -4.2423 -0.2600 -0.2476 0.0796 0.1073 0.4815 0.4834 0.5424 0.5438 1.1395 1.2075 1.4588 1.4656 1.4937 1.5352 1.9094 1.9235 2.0996 2.1000 2.4015 2.4030 2.4947 2.4960 2.7998 2.8224 2.8665 2.8763 2.9159 2.9249 2.9592 2.9627 3.4727 3.4734 3.5146 3.5187 3.9290 3.9332 6.3236 6.3250 6.5597 6.6116 7.3641 7.4349 7.6605 7.6740 9.0412 9.0809 9.2355 9.2357 k = 0.5201 0.4892 0.4592 ( 7062 PWs) bands (ev): -13.2847 -13.2842 -12.9294 -12.9264 -12.7574 -12.7533 -12.7514 -12.7477 -12.4334 -12.4333 -12.4147 -12.4134 -5.1234 -5.0913 -5.0325 -5.0213 -4.9562 -4.9340 -4.2435 -4.2423 -0.2600 -0.2476 0.0796 0.1073 0.4815 0.4834 0.5424 0.5437 1.1395 1.2075 1.4588 1.4656 1.4937 1.5352 1.9094 1.9235 2.0996 2.1000 2.4015 2.4030 2.4947 2.4960 2.7998 2.8224 2.8665 2.8763 2.9159 2.9249 2.9592 2.9627 3.4727 3.4734 3.5146 3.5187 3.9290 3.9332 6.3236 6.3250 6.5597 6.6116 7.3641 7.4349 7.6605 7.6740 9.0412 9.0809 9.2355 9.2357 k = 0.5101 0.4894 0.4694 ( 7058 PWs) bands (ev): -13.2846 -13.2844 -12.9247 -12.9232 -12.7551 -12.7540 -12.7518 -12.7510 -12.4348 -12.4348 -12.4164 -12.4158 -5.0871 -5.0519 -5.0378 -5.0179 -4.9890 -4.9730 -4.2453 -4.2447 -0.2561 -0.2499 0.0880 0.1020 0.4884 0.4896 0.5367 0.5369 1.1578 1.1925 1.4654 1.4663 1.4991 1.5218 1.9134 1.9206 2.1009 2.1009 2.4049 2.4051 2.4935 2.4938 2.8251 2.8472 2.8623 2.8766 2.8945 2.9004 2.9543 2.9563 3.4737 3.4738 3.5155 3.5178 3.9304 3.9325 6.3261 6.3262 6.5659 6.5924 7.3786 7.4146 7.6619 7.6690 9.0501 9.0701 9.2369 9.2369 k = 0.5000 0.4896 0.4797 ( 7058 PWs) bands (ev): -13.2845 -13.2845 -12.9225 -12.9225 -12.7542 -12.7542 -12.7521 -12.7521 -12.4353 -12.4353 -12.4168 -12.4168 -5.0556 -5.0556 -5.0135 -5.0135 -5.0090 -5.0090 -4.2457 -4.2457 -0.2527 -0.2527 0.0955 0.0955 0.4916 0.4916 0.5343 0.5343 1.1757 1.1757 1.4670 1.4670 1.5092 1.5092 1.9172 1.9172 2.1012 2.1012 2.4059 2.4059 2.4930 2.4930 2.8480 2.8480 2.8706 2.8706 2.8845 2.8845 2.9534 2.9534 3.4740 3.4740 3.5167 3.5167 3.9316 3.9316 6.3268 6.3268 6.5769 6.5769 7.3957 7.3957 7.6649 7.6649 9.0598 9.0598 9.2374 9.2374 k = 0.5000 0.4896 0.4797 ( 7058 PWs) bands (ev): -13.2845 -13.2845 -12.9225 -12.9225 -12.7542 -12.7542 -12.7521 -12.7521 -12.4353 -12.4353 -12.4168 -12.4168 -5.0556 -5.0556 -5.0135 -5.0135 -5.0090 -5.0090 -4.2457 -4.2457 -0.2527 -0.2527 0.0955 0.0955 0.4916 0.4916 0.5343 0.5343 1.1757 1.1757 1.4670 1.4670 1.5092 1.5092 1.9172 1.9172 2.1012 2.1012 2.4059 2.4059 2.4930 2.4930 2.8480 2.8480 2.8706 2.8706 2.8845 2.8845 2.9534 2.9534 3.4740 3.4740 3.5167 3.5167 3.9316 3.9316 6.3268 6.3268 6.5769 6.5769 7.3957 7.3957 7.6649 7.6649 9.0598 9.0598 9.2374 9.2374 k = 0.4894 0.4792 0.4695 ( 7064 PWs) bands (ev): -13.2858 -13.2858 -12.9215 -12.9215 -12.7545 -12.7545 -12.7533 -12.7514 -12.4357 -12.4338 -12.4163 -12.4163 -5.0565 -5.0565 -5.0148 -5.0148 -5.0097 -5.0094 -4.2427 -4.2427 -0.2525 -0.2525 0.0953 0.0953 0.4912 0.4912 0.5332 0.5342 1.1749 1.1749 1.4622 1.4705 1.5075 1.5075 1.9185 1.9185 2.0948 2.1054 2.4079 2.4088 2.4942 2.4942 2.8477 2.8477 2.8699 2.8699 2.8806 2.8880 2.9540 2.9540 3.4739 3.4751 3.5169 3.5169 3.9316 3.9316 6.3104 6.3461 6.5769 6.5769 7.3929 7.3929 7.6692 7.6692 9.0593 9.0593 9.2157 9.2608 k = 0.4787 0.4688 0.4593 ( 7061 PWs) bands (ev): -13.2895 -13.2895 -12.9185 -12.9185 -12.7552 -12.7552 -12.7550 -12.7512 -12.4352 -12.4314 -12.4148 -12.4148 -5.0592 -5.0592 -5.0184 -5.0184 -5.0115 -5.0110 -4.2339 -4.2339 -0.2517 -0.2517 0.0947 0.0947 0.4899 0.4899 0.5309 0.5328 1.1725 1.1725 1.4564 1.4724 1.5026 1.5026 1.9222 1.9222 2.0865 2.1070 2.4147 2.4163 2.4976 2.4976 2.8469 2.8469 2.8677 2.8677 2.8762 2.8910 2.9557 2.9557 3.4749 3.4771 3.5175 3.5175 3.9315 3.9315 6.2969 6.3683 6.5767 6.5767 7.3852 7.3852 7.6816 7.6816 9.0579 9.0579 9.1957 9.2860 k = 0.4681 0.4584 0.4491 ( 7064 PWs) bands (ev): -13.2955 -13.2955 -12.9135 -12.9135 -12.7571 -12.7563 -12.7563 -12.7515 -12.4336 -12.4280 -12.4124 -12.4124 -5.0639 -5.0639 -5.0241 -5.0241 -5.0145 -5.0137 -4.2194 -4.2194 -0.2504 -0.2504 0.0935 0.0935 0.4878 0.4878 0.5275 0.5301 1.1686 1.1686 1.4499 1.4728 1.4948 1.4948 1.9279 1.9279 2.0769 2.1060 2.4260 2.4278 2.5033 2.5033 2.8453 2.8453 2.8642 2.8642 2.8714 2.8935 2.9585 2.9585 3.4769 3.4800 3.5184 3.5184 3.9312 3.9312 6.2863 6.3933 6.5763 6.5763 7.3745 7.3745 7.7004 7.7004 9.0554 9.0554 9.1774 9.3128 k = 0.4574 0.4480 0.4389 ( 7082 PWs) bands (ev): -13.3037 -13.3037 -12.9069 -12.9069 -12.7596 -12.7579 -12.7579 -12.7523 -12.4311 -12.4237 -12.4091 -12.4091 -5.0707 -5.0707 -5.0313 -5.0313 -5.0186 -5.0175 -4.1999 -4.1999 -0.2485 -0.2485 0.0920 0.0920 0.4850 0.4850 0.5230 0.5260 1.1632 1.1632 1.4429 1.4715 1.4848 1.4848 1.9351 1.9351 2.0665 2.1025 2.4412 2.4429 2.5111 2.5111 2.8430 2.8430 2.8599 2.8599 2.8666 2.8959 2.9624 2.9624 3.4799 3.4835 3.5197 3.5197 3.9306 3.9306 6.2786 6.4209 6.5754 6.5754 7.3627 7.3627 7.7237 7.7237 9.0516 9.0516 9.1605 9.3413 k = 0.4468 0.4375 0.4287 ( 7088 PWs) bands (ev): -13.3139 -13.3139 -12.8988 -12.8988 -12.7625 -12.7599 -12.7599 -12.7536 -12.4276 -12.4187 -12.4049 -12.4049 -5.0796 -5.0796 -5.0394 -5.0394 -5.0237 -5.0224 -4.1757 -4.1757 -0.2462 -0.2462 0.0899 0.0899 0.4816 0.4816 0.5175 0.5205 1.1563 1.1563 1.4360 1.4687 1.4731 1.4731 1.9432 1.9432 2.0557 2.0970 2.4596 2.4610 2.5209 2.5209 2.8393 2.8393 2.8555 2.8555 2.8619 2.8982 2.9674 2.9674 3.4838 3.4875 3.5213 3.5213 3.9296 3.9296 6.2737 6.4510 6.5738 6.5738 7.3515 7.3515 7.7500 7.7500 9.0459 9.0459 9.1451 9.3713 k = 0.4362 0.4271 0.4185 ( 7082 PWs) bands (ev): -13.3256 -13.3256 -12.8895 -12.8895 -12.7656 -12.7622 -12.7622 -12.7553 -12.4233 -12.4128 -12.3999 -12.3999 -5.0906 -5.0906 -5.0482 -5.0482 -5.0299 -5.0283 -4.1473 -4.1473 -0.2434 -0.2434 0.0874 0.0874 0.4776 0.4776 0.5110 0.5136 1.1481 1.1481 1.4293 1.4603 1.4603 1.4645 1.9515 1.9515 2.0448 2.0896 2.4803 2.4815 2.5326 2.5326 2.8337 2.8337 2.8521 2.8521 2.8576 2.9008 2.9734 2.9734 3.4885 3.4919 3.5230 3.5230 3.9279 3.9279 6.2716 6.4834 6.5713 6.5713 7.3425 7.3425 7.7782 7.7782 9.0380 9.0380 9.1308 9.4027 k = 0.4255 0.4167 0.4082 ( 7088 PWs) bands (ev): -13.3388 -13.3388 -12.8792 -12.8792 -12.7690 -12.7648 -12.7648 -12.7573 -12.4181 -12.4063 -12.3942 -12.3942 -5.1034 -5.1034 -5.0574 -5.0574 -5.0371 -5.0353 -4.1153 -4.1153 -0.2402 -0.2402 0.0844 0.0844 0.4732 0.4732 0.5035 0.5052 1.1387 1.1387 1.4234 1.4470 1.4470 1.4592 1.9595 1.9595 2.0339 2.0807 2.5023 2.5037 2.5458 2.5458 2.8258 2.8258 2.8505 2.8505 2.8542 2.9042 2.9803 2.9803 3.4940 3.4964 3.5248 3.5248 3.9253 3.9253 6.2721 6.5179 6.5676 6.5676 7.3364 7.3364 7.8076 7.8076 9.0272 9.0272 9.1176 9.4353 k = 0.4149 0.4063 0.3980 ( 7091 PWs) bands (ev): -13.3531 -13.3531 -12.8681 -12.8681 -12.7725 -12.7676 -12.7676 -12.7597 -12.4121 -12.3991 -12.3877 -12.3877 -5.1176 -5.1176 -5.0670 -5.0670 -5.0454 -5.0432 -4.0802 -4.0802 -0.2366 -0.2366 0.0809 0.0809 0.4686 0.4686 0.4951 0.4954 1.1282 1.1282 1.4183 1.4337 1.4337 1.4529 1.9669 1.9669 2.0232 2.0705 2.5250 2.5270 2.5600 2.5600 2.8161 2.8161 2.8507 2.8507 2.8521 2.9088 2.9881 2.9881 3.4999 3.5011 3.5265 3.5265 3.9215 3.9215 6.2751 6.5543 6.5627 6.5627 7.3340 7.3340 7.8375 7.8375 9.0127 9.0127 9.1050 9.4194 k = 0.4043 0.3959 0.3878 ( 7079 PWs) bands (ev): -13.3684 -13.3684 -12.8564 -12.8564 -12.7762 -12.7706 -12.7706 -12.7624 -12.4054 -12.3914 -12.3806 -12.3806 -5.1327 -5.1327 -5.0772 -5.0772 -5.0545 -5.0522 -4.0424 -4.0424 -0.2327 -0.2327 0.0769 0.0769 0.4638 0.4638 0.4843 0.4858 1.1169 1.1169 1.4145 1.4208 1.4208 1.4460 1.9732 1.9732 2.0127 2.0591 2.5474 2.5506 2.5748 2.5748 2.8052 2.8052 2.8519 2.8529 2.8529 2.9151 2.9968 2.9968 3.5055 3.5061 3.5281 3.5281 3.9163 3.9163 6.2804 6.5564 6.5564 6.5923 7.3354 7.3354 7.8677 7.8677 8.9940 8.9940 9.0930 9.4050 k = 0.3936 0.3855 0.3776 ( 7082 PWs) bands (ev): -13.3845 -13.3845 -12.8443 -12.8443 -12.7799 -12.7737 -12.7737 -12.7652 -12.3981 -12.3832 -12.3730 -12.3730 -5.1484 -5.1484 -5.0880 -5.0880 -5.0647 -5.0621 -4.0023 -4.0023 -0.2285 -0.2285 0.0726 0.0726 0.4590 0.4590 0.4718 0.4757 1.1049 1.1049 1.4084 1.4084 1.4120 1.4387 1.9782 1.9782 2.0024 2.0468 2.5688 2.5736 2.5893 2.5893 2.7935 2.7935 2.8543 2.8574 2.8574 2.9238 3.0062 3.0062 3.5097 3.5125 3.5295 3.5295 3.9095 3.9095 6.2878 6.5488 6.5488 6.6316 7.3408 7.3408 7.8978 7.8978 8.9706 8.9706 9.0810 9.3929 k = 0.3830 0.3750 0.3674 ( 7088 PWs) bands (ev): -13.4013 -13.4013 -12.8319 -12.8319 -12.7837 -12.7769 -12.7769 -12.7683 -12.3903 -12.3746 -12.3648 -12.3648 -5.1643 -5.1643 -5.0994 -5.0994 -5.0757 -5.0729 -3.9605 -3.9605 -0.2243 -0.2243 0.0681 0.0681 0.4545 0.4545 0.4582 0.4649 1.0927 1.0927 1.3968 1.3968 1.4110 1.4314 1.9819 1.9819 1.9923 2.0335 2.5884 2.5951 2.6029 2.6029 2.7811 2.7811 2.8603 2.8649 2.8649 2.9354 3.0163 3.0163 3.5135 3.5189 3.5305 3.5305 3.9009 3.9009 6.2972 6.5402 6.5402 6.6718 7.3498 7.3498 7.9279 7.9279 8.9424 8.9424 9.0689 9.3838 k = 0.3723 0.3646 0.3572 ( 7079 PWs) bands (ev): -13.4186 -13.4186 -12.8194 -12.8194 -12.7875 -12.7801 -12.7801 -12.7714 -12.3819 -12.3656 -12.3563 -12.3563 -5.1802 -5.1802 -5.1114 -5.1114 -5.0875 -5.0845 -3.9172 -3.9172 -0.2201 -0.2201 0.0634 0.0634 0.4435 0.4503 0.4503 0.4533 1.0803 1.0803 1.3862 1.3862 1.4115 1.4242 1.9825 1.9841 1.9841 2.0195 2.6057 2.6140 2.6148 2.6148 2.7685 2.7685 2.8705 2.8759 2.8759 2.9502 3.0270 3.0270 3.5168 3.5251 3.5311 3.5311 3.8902 3.8902 6.3083 6.5308 6.5308 6.7127 7.3620 7.3620 7.9577 7.9577 8.9095 8.9095 9.0563 9.3780 k = 0.3617 0.3542 0.3470 ( 7085 PWs) bands (ev): -13.4362 -13.4362 -12.8071 -12.8070 -12.7912 -12.7830 -12.7830 -12.7746 -12.3731 -12.3563 -12.3473 -12.3473 -5.1958 -5.1958 -5.1241 -5.1241 -5.1002 -5.0970 -3.8727 -3.8727 -0.2162 -0.2162 0.0588 0.0588 0.4279 0.4412 0.4466 0.4466 1.0681 1.0681 1.3766 1.3766 1.4137 1.4172 1.9730 1.9850 1.9850 2.0047 2.6202 2.6241 2.6241 2.6294 2.7559 2.7559 2.8857 2.8907 2.8907 2.9686 3.0383 3.0383 3.5194 3.5309 3.5311 3.5311 3.8772 3.8772 6.3208 6.5208 6.5208 6.7538 7.3766 7.3766 7.9873 7.9873 8.8726 8.8726 9.0428 9.3756 k = 0.3511 0.3438 0.3368 ( 7091 PWs) bands (ev): -13.4542 -13.4542 -12.7963 -12.7962 -12.7948 -12.7843 -12.7843 -12.7779 -12.3640 -12.3467 -12.3381 -12.3381 -5.2111 -5.2111 -5.1375 -5.1375 -5.1135 -5.1101 -3.8274 -3.8274 -0.2127 -0.2127 0.0546 0.0546 0.4116 0.4286 0.4436 0.4436 1.0563 1.0563 1.3680 1.3680 1.4107 1.4174 1.9637 1.9844 1.9844 1.9894 2.6305 2.6305 2.6320 2.6412 2.7435 2.7435 2.9061 2.9095 2.9095 2.9905 3.0500 3.0500 3.5213 3.5305 3.5305 3.5364 3.8620 3.8620 6.3347 6.5107 6.5107 6.7947 7.3929 7.3929 8.0168 8.0168 8.8327 8.8327 9.0281 9.3763 k = 0.3404 0.3334 0.3266 ( 7079 PWs) bands (ev): -13.4723 -13.4723 -12.7983 -12.7931 -12.7931 -12.7811 -12.7779 -12.7779 -12.3546 -12.3370 -12.3286 -12.3286 -5.2259 -5.2259 -5.1514 -5.1514 -5.1275 -5.1240 -3.7815 -3.7815 -0.2101 -0.2101 0.0508 0.0508 0.3949 0.4155 0.4415 0.4415 1.0452 1.0452 1.3606 1.3606 1.4047 1.4226 1.9548 1.9735 1.9826 1.9826 2.6336 2.6336 2.6411 2.6493 2.7318 2.7318 2.9313 2.9321 2.9321 3.0157 3.0622 3.0622 3.5224 3.5293 3.5293 3.5412 3.8443 3.8443 6.3495 6.5007 6.5007 6.8351 7.4098 7.4098 8.0461 8.0461 8.7909 8.7909 9.0121 9.3800 k = 0.3298 0.3230 0.3164 ( 7106 PWs) bands (ev): -13.4905 -13.4905 -12.8018 -12.7952 -12.7952 -12.7844 -12.7664 -12.7664 -12.3449 -12.3271 -12.3189 -12.3189 -5.2402 -5.2402 -5.1659 -5.1659 -5.1422 -5.1385 -3.7354 -3.7354 -0.2084 -0.2084 0.0478 0.0478 0.3777 0.4022 0.4405 0.4405 1.0349 1.0349 1.3543 1.3543 1.3992 1.4293 1.9464 1.9573 1.9796 1.9796 2.6334 2.6334 2.6477 2.6544 2.7210 2.7210 2.9581 2.9581 2.9607 3.0437 3.0747 3.0747 3.5226 3.5273 3.5273 3.5455 3.8241 3.8241 6.3652 6.4910 6.4910 6.8743 7.4264 7.4264 8.0753 8.0753 8.7484 8.7484 8.9945 9.3861 k = 0.3191 0.3125 0.3062 ( 7109 PWs) bands (ev): -13.5088 -13.5088 -12.8050 -12.7980 -12.7980 -12.7875 -12.7542 -12.7542 -12.3350 -12.3172 -12.3091 -12.3091 -5.2538 -5.2538 -5.1808 -5.1808 -5.1574 -5.1535 -3.6892 -3.6892 -0.2081 -0.2081 0.0458 0.0458 0.3605 0.3887 0.4408 0.4408 1.0256 1.0256 1.3491 1.3491 1.3943 1.4372 1.9385 1.9408 1.9756 1.9756 2.6301 2.6301 2.6523 2.6569 2.7115 2.7115 2.9868 2.9868 2.9934 3.0739 3.0874 3.0874 3.5220 3.5246 3.5246 3.5491 3.8016 3.8016 6.3813 6.4817 6.4817 6.9121 7.4416 7.4416 8.1045 8.1045 8.7068 8.7068 8.9753 9.3944 k = 0.3085 0.3021 0.2960 ( 7109 PWs) bands (ev): -13.5270 -13.5270 -12.8081 -12.8008 -12.8008 -12.7906 -12.7419 -12.7419 -12.3250 -12.3071 -12.2991 -12.2991 -5.2668 -5.2668 -5.1962 -5.1962 -5.1730 -5.1690 -3.6432 -3.6432 -0.2093 -0.2093 0.0449 0.0449 0.3433 0.3752 0.4427 0.4427 1.0175 1.0175 1.3451 1.3451 1.3900 1.4462 1.9244 1.9313 1.9706 1.9706 2.6241 2.6241 2.6551 2.6576 2.7032 2.7032 3.0177 3.0177 3.0287 3.1004 3.1004 3.1059 3.5204 3.5211 3.5211 3.5521 3.7768 3.7768 6.3978 6.4730 6.4730 6.9479 7.4541 7.4541 8.1335 8.1335 8.6674 8.6674 8.9547 9.4046 k = 0.2979 0.2917 0.2858 ( 7109 PWs) bands (ev): -13.5451 -13.5451 -12.8110 -12.8036 -12.8036 -12.7936 -12.7298 -12.7298 -12.3150 -12.2971 -12.2891 -12.2891 -5.2792 -5.2792 -5.2120 -5.2120 -5.1891 -5.1850 -3.5977 -3.5977 -0.2121 -0.2121 0.0450 0.0450 0.3263 0.3618 0.4464 0.4464 1.0107 1.0107 1.3422 1.3422 1.3861 1.4561 1.9080 1.9249 1.9650 1.9650 2.6157 2.6157 2.6565 2.6568 2.6961 2.6961 3.0500 3.0500 3.0657 3.1135 3.1135 3.1389 3.5169 3.5169 3.5180 3.5545 3.7498 3.7498 6.4143 6.4650 6.4650 6.9811 7.4629 7.4630 8.1622 8.1622 8.6319 8.6319 8.9329 9.4163 k = 0.2872 0.2813 0.2756 ( 7100 PWs) bands (ev): -13.5631 -13.5631 -12.8138 -12.8063 -12.8063 -12.7964 -12.7179 -12.7179 -12.3049 -12.2871 -12.2791 -12.2791 -5.2909 -5.2909 -5.2280 -5.2280 -5.2054 -5.2012 -3.5527 -3.5527 -0.2164 -0.2164 0.0460 0.0460 0.3097 0.3485 0.4522 0.4522 1.0051 1.0051 1.3404 1.3404 1.3826 1.4667 1.8921 1.9194 1.9588 1.9588 2.6057 2.6057 2.6550 2.6567 2.6899 2.6899 3.0830 3.0830 3.1040 3.1270 3.1270 3.1724 3.5121 3.5121 3.5147 3.5565 3.7208 3.7208 6.4306 6.4575 6.4575 7.0114 7.4670 7.4670 8.1902 8.1902 8.6018 8.6018 8.9103 9.4292 k = 0.2766 0.2709 0.2654 ( 7094 PWs) bands (ev): -13.5808 -13.5808 -12.8163 -12.8089 -12.8089 -12.7991 -12.7063 -12.7063 -12.2948 -12.2772 -12.2692 -12.2692 -5.3020 -5.3020 -5.2442 -5.2442 -5.2221 -5.2178 -3.5086 -3.5086 -0.2223 -0.2223 0.0478 0.0478 0.2936 0.3355 0.4605 0.4605 1.0008 1.0008 1.3396 1.3397 1.3795 1.4778 1.8767 1.9150 1.9522 1.9522 2.5945 2.5945 2.6524 2.6560 2.6843 2.6843 3.1155 3.1155 3.1412 3.1412 3.1429 3.2057 3.5067 3.5067 3.5107 3.5583 3.6902 3.6902 6.4466 6.4505 6.4505 7.0383 7.4654 7.4654 8.2173 8.2173 8.5785 8.5785 8.8875 9.4430 k = 0.2660 0.2604 0.2552 ( 7091 PWs) bands (ev): -13.5983 -13.5983 -12.8187 -12.8113 -12.8113 -12.8017 -12.6949 -12.6949 -12.2847 -12.2673 -12.2593 -12.2593 -5.3126 -5.3126 -5.2605 -5.2605 -5.2389 -5.2345 -3.4654 -3.4654 -0.2296 -0.2296 0.0500 0.0500 0.2782 0.3230 0.4715 0.4715 0.9979 0.9979 1.3400 1.3400 1.3766 1.4889 1.8623 1.9118 1.9454 1.9454 2.5827 2.5827 2.6492 2.6545 2.6790 2.6790 3.1436 3.1436 3.1595 3.1595 3.1819 3.2382 3.5010 3.5010 3.5061 3.5602 3.6582 3.6582 6.4440 6.4440 6.4621 7.0613 7.4576 7.4576 8.2429 8.2429 8.5634 8.5635 8.8651 9.4571 k = 0.2553 0.2500 0.2449 ( 7091 PWs) bands (ev): -13.6155 -13.6155 -12.8209 -12.8136 -12.8136 -12.8042 -12.6839 -12.6839 -12.2747 -12.2577 -12.2495 -12.2495 -5.3226 -5.3226 -5.2768 -5.2768 -5.2558 -5.2514 -3.4234 -3.4234 -0.2380 -0.2380 0.0522 0.0522 0.2636 0.3109 0.4853 0.4853 0.9962 0.9962 1.3413 1.3413 1.3738 1.4997 1.8492 1.9099 1.9385 1.9385 2.5706 2.5706 2.6454 2.6523 2.6739 2.6739 3.1613 3.1613 3.1869 3.1869 3.2204 3.2689 3.4951 3.4951 3.5013 3.5629 3.6254 3.6254 6.4377 6.4377 6.4769 7.0801 7.4431 7.4431 8.2665 8.2665 8.5574 8.5574 8.8437 9.4710 k = 0.2447 0.2396 0.2347 ( 7091 PWs) bands (ev): -13.6323 -13.6323 -12.8228 -12.8157 -12.8157 -12.8065 -12.6731 -12.6731 -12.2649 -12.2482 -12.2399 -12.2399 -5.3323 -5.3323 -5.2929 -5.2929 -5.2728 -5.2684 -3.3826 -3.3826 -0.2473 -0.2473 0.0543 0.0543 0.2498 0.2993 0.5020 0.5020 0.9957 0.9957 1.3437 1.3437 1.3712 1.5099 1.8378 1.9092 1.9317 1.9317 2.5585 2.5585 2.6412 2.6496 2.6687 2.6687 3.1750 3.1750 3.2161 3.2161 3.2576 3.2969 3.4892 3.4892 3.4967 3.5669 3.5926 3.5926 6.4316 6.4316 6.4908 7.0944 7.4222 7.4222 8.2880 8.2880 8.5605 8.5605 8.8240 9.4225 k = 0.2340 0.2292 0.2245 ( 7103 PWs) bands (ev): -13.6486 -13.6486 -12.8246 -12.8177 -12.8177 -12.8087 -12.6627 -12.6627 -12.2552 -12.2389 -12.2304 -12.2304 -5.3418 -5.3418 -5.3087 -5.3087 -5.2897 -5.2854 -3.3432 -3.3432 -0.2573 -0.2572 0.0560 0.0560 0.2370 0.2884 0.5217 0.5217 0.9964 0.9964 1.3468 1.3468 1.3686 1.5189 1.8285 1.9100 1.9251 1.9251 2.5465 2.5465 2.6366 2.6463 2.6634 2.6634 3.1878 3.1878 3.2426 3.2426 3.2924 3.3210 3.4829 3.4829 3.4935 3.5616 3.5616 3.5734 6.4256 6.4256 6.5039 7.1039 7.3952 7.3952 8.3077 8.3077 8.5719 8.5719 8.8065 9.3749 k = 0.2234 0.2188 0.2143 ( 7115 PWs) bands (ev): -13.6646 -13.6646 -12.8262 -12.8195 -12.8195 -12.8107 -12.6527 -12.6527 -12.2457 -12.2298 -12.2212 -12.2212 -5.3514 -5.3514 -5.3236 -5.3236 -5.3066 -5.3022 -3.3053 -3.3053 -0.2677 -0.2677 0.0572 0.0572 0.2252 0.2781 0.5443 0.5443 0.9981 0.9981 1.3508 1.3508 1.3660 1.5263 1.8218 1.9122 1.9188 1.9188 2.5349 2.5349 2.6317 2.6426 2.6580 2.6580 3.2000 3.2000 3.2645 3.2645 3.3228 3.3401 3.4732 3.4732 3.4932 3.5369 3.5369 3.5831 6.4194 6.4194 6.5160 7.1086 7.3630 7.3630 8.3262 8.3262 8.5901 8.5901 8.7917 9.3290 k = 0.2128 0.2084 0.2041 ( 7124 PWs) bands (ev): -13.6801 -13.6801 -12.8276 -12.8211 -12.8211 -12.8126 -12.6430 -12.6430 -12.2364 -12.2210 -12.2121 -12.2121 -5.3617 -5.3617 -5.3371 -5.3371 -5.3232 -5.3189 -3.2689 -3.2689 -0.2785 -0.2785 0.0579 0.0579 0.2144 0.2685 0.5695 0.5695 1.0008 1.0008 1.3555 1.3555 1.3635 1.5317 1.8180 1.9130 1.9130 1.9157 2.5237 2.5237 2.6265 2.6385 2.6524 2.6524 3.2118 3.2118 3.2801 3.2801 3.3461 3.3533 3.4541 3.4541 3.4985 3.5264 3.5264 3.5968 6.4131 6.4131 6.5271 7.1085 7.3263 7.3263 8.3442 8.3442 8.6133 8.6133 8.7800 9.2852 k = 0.2021 0.1979 0.1939 ( 7130 PWs) bands (ev): -13.6950 -13.6950 -12.8289 -12.8226 -12.8226 -12.8143 -12.6337 -12.6337 -12.2274 -12.2125 -12.2034 -12.2034 -5.3732 -5.3732 -5.3485 -5.3485 -5.3396 -5.3354 -3.2343 -3.2343 -0.2893 -0.2893 0.0581 0.0581 0.2047 0.2596 0.5970 0.5970 1.0044 1.0044 1.3608 1.3608 1.3610 1.5346 1.8176 1.9077 1.9077 1.9205 2.5131 2.5131 2.6210 2.6340 2.6465 2.6465 3.2231 3.2231 3.2883 3.2883 3.3598 3.3606 3.4260 3.4260 3.5119 3.5307 3.5307 3.6146 6.4066 6.4066 6.5372 7.1039 7.2862 7.2862 8.3623 8.3623 8.6396 8.6396 8.7715 9.2441 k = 0.1915 0.1875 0.1837 ( 7112 PWs) bands (ev): -13.7094 -13.7094 -12.8299 -12.8239 -12.8239 -12.8160 -12.6248 -12.6248 -12.2186 -12.2043 -12.1949 -12.1949 -5.3861 -5.3861 -5.3578 -5.3578 -5.3556 -5.3514 -3.2013 -3.2013 -0.3002 -0.3002 0.0579 0.0579 0.1960 0.2514 0.6265 0.6265 1.0088 1.0088 1.3587 1.3665 1.3665 1.5350 1.8204 1.9030 1.9030 1.9266 2.5032 2.5032 2.6152 2.6291 2.6405 2.6405 3.2339 3.2339 3.2890 3.2890 3.3624 3.3637 3.3945 3.3945 3.5335 3.5447 3.5447 3.6358 6.3999 6.3999 6.5464 7.0950 7.2437 7.2437 8.3809 8.3809 8.6674 8.6674 8.7662 9.2060 k = 0.1809 0.1771 0.1735 ( 7079 PWs) bands (ev): -13.7231 -13.7231 -12.8308 -12.8251 -12.8251 -12.8175 -12.6164 -12.6164 -12.2102 -12.1964 -12.1868 -12.1868 -5.3998 -5.3998 -5.3711 -5.3671 -5.3654 -5.3654 -3.1700 -3.1700 -0.3110 -0.3110 0.0574 0.0574 0.1885 0.2439 0.6575 0.6575 1.0139 1.0139 1.3564 1.3726 1.3726 1.5330 1.8265 1.8991 1.8991 1.9339 2.4941 2.4941 2.6093 2.6240 2.6342 2.6342 3.2441 3.2441 3.2832 3.2832 3.3596 3.3601 3.3629 3.3629 3.5608 3.5645 3.5645 3.6595 6.3929 6.3929 6.5547 7.0823 7.1996 7.1996 8.3998 8.3998 8.6949 8.6949 8.7640 9.1710 k = 0.1702 0.1667 0.1633 ( 7082 PWs) bands (ev): -13.7363 -13.7363 -12.8316 -12.8262 -12.8262 -12.8188 -12.6083 -12.6083 -12.2020 -12.1889 -12.1790 -12.1790 -5.4138 -5.4138 -5.3862 -5.3824 -5.3719 -5.3719 -3.1406 -3.1406 -0.3215 -0.3215 0.0567 0.0567 0.1820 0.2370 0.6897 0.6897 1.0195 1.0195 1.3544 1.3790 1.3790 1.5289 1.8354 1.8958 1.8958 1.9420 2.4857 2.4857 2.6032 2.6186 2.6278 2.6278 3.2531 3.2531 3.2721 3.2721 3.3330 3.3330 3.3518 3.3532 3.5878 3.5878 3.5911 3.6846 6.3856 6.3856 6.5624 7.0661 7.1548 7.1548 8.4189 8.4189 8.7208 8.7208 8.7646 9.1391 k = 0.1596 0.1563 0.1531 ( 7082 PWs) bands (ev): -13.7488 -13.7488 -12.8322 -12.8272 -12.8272 -12.8201 -12.6007 -12.6007 -12.1943 -12.1818 -12.1716 -12.1716 -5.4277 -5.4277 -5.4008 -5.3971 -5.3775 -5.3775 -3.1130 -3.1130 -0.3318 -0.3318 0.0559 0.0559 0.1765 0.2308 0.7225 0.7225 1.0256 1.0256 1.3527 1.3854 1.3854 1.5229 1.8467 1.8933 1.8933 1.9510 2.4782 2.4783 2.5970 2.6130 2.6212 2.6212 3.2516 3.2516 3.2650 3.2650 3.3066 3.3066 3.3407 3.3439 3.6128 3.6128 3.6225 3.7104 6.3782 6.3782 6.5694 7.0471 7.1098 7.1098 8.4380 8.4380 8.7437 8.7437 8.7678 9.1103 k = 0.1489 0.1458 0.1429 ( 7106 PWs) bands (ev): -13.7607 -13.7607 -12.8327 -12.8280 -12.8280 -12.8213 -12.5935 -12.5935 -12.1869 -12.1751 -12.1646 -12.1646 -5.4412 -5.4412 -5.4148 -5.4113 -5.3826 -5.3826 -3.0873 -3.0873 -0.3417 -0.3417 0.0551 0.0551 0.1720 0.2251 0.7555 0.7555 1.0321 1.0321 1.3513 1.3919 1.3919 1.5156 1.8598 1.8915 1.8915 1.9606 2.4717 2.4717 2.5907 2.6072 2.6145 2.6145 3.2316 3.2316 3.2674 3.2674 3.2877 3.2877 3.3277 3.3326 3.6385 3.6385 3.6539 3.7360 6.3706 6.3706 6.5760 7.0258 7.0653 7.0653 8.4567 8.4567 8.7622 8.7622 8.7732 9.0845 k = 0.1383 0.1354 0.1327 ( 7118 PWs) bands (ev): -13.7718 -13.7718 -12.8331 -12.8287 -12.8287 -12.8223 -12.5868 -12.5868 -12.1798 -12.1688 -12.1579 -12.1579 -5.4542 -5.4542 -5.4281 -5.4247 -5.3871 -5.3871 -3.0634 -3.0634 -0.3511 -0.3511 0.0544 0.0544 0.1685 0.2200 0.7883 0.7883 1.0389 1.0389 1.3503 1.3983 1.3983 1.5072 1.8743 1.8903 1.8903 1.9706 2.4660 2.4660 2.5845 2.6013 2.6077 2.6077 3.2079 3.2079 3.2552 3.2552 3.2869 3.2869 3.3137 3.3198 3.6639 3.6639 3.6846 3.7611 6.3630 6.3630 6.5823 7.0028 7.0218 7.0218 8.4747 8.4747 8.7751 8.7751 8.7803 9.0615 k = 0.1277 0.1250 0.1225 ( 7094 PWs) bands (ev): -13.7822 -13.7822 -12.8333 -12.8294 -12.8294 -12.8233 -12.5805 -12.5805 -12.1732 -12.1629 -12.1517 -12.1517 -5.4665 -5.4665 -5.4407 -5.4375 -5.3912 -5.3912 -3.0412 -3.0412 -0.3601 -0.3601 0.0538 0.0538 0.1659 0.2154 0.8205 0.8205 1.0457 1.0457 1.3499 1.4044 1.4044 1.4982 1.8898 1.8898 1.8898 1.9808 2.4612 2.4612 2.5784 2.5953 2.6010 2.6010 3.1834 3.1834 3.2372 3.2372 3.2932 3.2932 3.2991 3.3061 3.6887 3.6887 3.7143 3.7851 6.3555 6.3555 6.5885 6.9785 6.9797 6.9797 8.4917 8.4917 8.7817 8.7817 8.7889 9.0411 k = 0.1170 0.1146 0.1123 ( 7100 PWs) bands (ev): -13.7919 -13.7919 -12.8335 -12.8299 -12.8299 -12.8242 -12.5747 -12.5747 -12.1671 -12.1575 -12.1459 -12.1459 -5.4781 -5.4781 -5.4524 -5.4494 -5.3948 -5.3948 -3.0210 -3.0210 -0.3686 -0.3686 0.0534 0.0534 0.1640 0.2111 0.8516 0.8516 1.0526 1.0526 1.3499 1.4103 1.4103 1.4888 1.8897 1.8897 1.9057 1.9909 2.4572 2.4572 2.5725 2.5894 2.5944 2.5944 3.1595 3.1595 3.2191 3.2191 3.2842 3.2917 3.3000 3.3000 3.7124 3.7124 3.7426 3.8076 6.3482 6.3482 6.5948 6.9395 6.9395 6.9534 8.5074 8.5074 8.7821 8.7821 8.7986 9.0232 k = 0.1064 0.1042 0.1021 ( 7097 PWs) bands (ev): -13.8008 -13.8008 -12.8335 -12.8304 -12.8304 -12.8251 -12.5694 -12.5694 -12.1613 -12.1526 -12.1406 -12.1406 -5.4889 -5.4889 -5.4633 -5.4606 -5.3981 -5.3981 -3.0026 -3.0026 -0.3764 -0.3764 0.0531 0.0531 0.1629 0.2072 0.8814 0.8814 1.0593 1.0593 1.3506 1.4158 1.4158 1.4792 1.8902 1.8902 1.9219 2.0008 2.4541 2.4541 2.5668 2.5836 2.5879 2.5879 3.1371 3.1371 3.2015 3.2015 3.2695 3.2771 3.3066 3.3066 3.7346 3.7346 3.7693 3.8286 6.3411 6.3411 6.6013 6.9014 6.9014 6.9280 8.5214 8.5214 8.7768 8.7768 8.8089 9.0073 k = 0.0957 0.0938 0.0919 ( 7085 PWs) bands (ev): -13.8089 -13.8089 -12.8335 -12.8308 -12.8308 -12.8258 -12.5645 -12.5645 -12.1560 -12.1481 -12.1357 -12.1357 -5.4989 -5.4989 -5.4733 -5.4708 -5.4010 -5.4010 -2.9859 -2.9859 -0.3836 -0.3836 0.0529 0.0529 0.1625 0.2036 0.9094 0.9094 1.0657 1.0657 1.3520 1.4208 1.4208 1.4695 1.8909 1.8909 1.9379 2.0102 2.4516 2.4516 2.5616 2.5779 2.5817 2.5817 3.1167 3.1167 3.1846 3.1846 3.2552 3.2627 3.3127 3.3127 3.7552 3.7552 3.7941 3.8478 6.3344 6.3344 6.6082 6.8659 6.8659 6.9026 8.5335 8.5335 8.7674 8.7674 8.8197 8.9933 k = 0.0851 0.0833 0.0816 ( 7079 PWs) bands (ev): -13.8162 -13.8162 -12.8334 -12.8311 -12.8311 -12.8266 -12.5602 -12.5602 -12.1512 -12.1442 -12.1313 -12.1313 -5.5080 -5.5080 -5.4824 -5.4801 -5.4036 -5.4036 -2.9711 -2.9711 -0.3902 -0.3902 0.0529 0.0529 0.1627 0.2003 0.9355 0.9355 1.0716 1.0716 1.3540 1.4254 1.4254 1.4599 1.8920 1.8920 1.9535 2.0189 2.4498 2.4498 2.5568 2.5724 2.5759 2.5759 3.0983 3.0983 3.1686 3.1686 3.2416 3.2487 3.3182 3.3182 3.7739 3.7739 3.8171 3.8649 6.3281 6.3281 6.6157 6.8332 6.8332 6.8774 8.5434 8.5434 8.7556 8.7556 8.8307 8.9809 k = 0.0745 0.0729 0.0714 ( 7073 PWs) bands (ev): -13.8226 -13.8226 -12.8333 -12.8313 -12.8313 -12.8272 -12.5563 -12.5563 -12.1469 -12.1407 -12.1275 -12.1275 -5.5160 -5.5160 -5.4904 -5.4884 -5.4059 -5.4059 -2.9580 -2.9580 -0.3961 -0.3961 0.0530 0.0530 0.1634 0.1971 0.9593 0.9593 1.0769 1.0769 1.3566 1.4294 1.4294 1.4505 1.8931 1.8931 1.9684 2.0265 2.4484 2.4484 2.5526 2.5672 2.5706 2.5706 3.0823 3.0823 3.1538 3.1538 3.2288 3.2354 3.3231 3.3231 3.7907 3.7907 3.8379 3.8800 6.3224 6.3224 6.6239 6.8036 6.8036 6.8529 8.5509 8.5509 8.7432 8.7432 8.8416 8.9698 k = 0.0638 0.0625 0.0612 ( 7067 PWs) bands (ev): -13.8283 -13.8283 -12.8331 -12.8316 -12.8316 -12.8278 -12.5530 -12.5530 -12.1431 -12.1377 -12.1241 -12.1241 -5.5232 -5.5232 -5.4975 -5.4958 -5.4078 -5.4078 -2.9467 -2.9467 -0.4013 -0.4013 0.0532 0.0532 0.1646 0.1941 0.9808 0.9808 1.0815 1.0815 1.3599 1.4329 1.4329 1.4412 1.8944 1.8944 1.9825 2.0330 2.4475 2.4475 2.5491 2.5624 2.5658 2.5658 3.0686 3.0686 3.1405 3.1405 3.2173 3.2231 3.3274 3.3274 3.8055 3.8055 3.8566 3.8928 6.3172 6.3172 6.6329 6.7773 6.7773 6.8290 8.5559 8.5559 8.7314 8.7314 8.8524 8.9598 k = 0.0532 0.0521 0.0510 ( 7070 PWs) bands (ev): -13.8331 -13.8331 -12.8328 -12.8317 -12.8317 -12.8284 -12.5501 -12.5501 -12.1398 -12.1353 -12.1212 -12.1212 -5.5292 -5.5292 -5.5035 -5.5020 -5.4094 -5.4094 -2.9372 -2.9372 -0.4057 -0.4057 0.0534 0.0534 0.1661 0.1912 0.9997 0.9997 1.0852 1.0852 1.3639 1.4323 1.4358 1.4358 1.8956 1.8956 1.9955 2.0382 2.4468 2.4468 2.5462 2.5579 2.5616 2.5616 3.0571 3.0571 3.1288 3.1288 3.2072 3.2122 3.3310 3.3310 3.8181 3.8181 3.8730 3.9033 6.3128 6.3128 6.6428 6.7547 6.7547 6.8062 8.5585 8.5585 8.7215 8.7215 8.8629 8.9506 k = 0.0426 0.0417 0.0408 ( 7064 PWs) bands (ev): -13.8370 -13.8370 -12.8325 -12.8319 -12.8319 -12.8290 -12.5478 -12.5478 -12.1369 -12.1333 -12.1188 -12.1188 -5.5342 -5.5342 -5.5084 -5.5072 -5.4108 -5.4108 -2.9295 -2.9295 -0.4093 -0.4093 0.0537 0.0537 0.1680 0.1883 1.0158 1.0158 1.0879 1.0879 1.3684 1.4236 1.4382 1.4382 1.8967 1.8967 2.0072 2.0417 2.4463 2.4463 2.5441 2.5539 2.5582 2.5582 3.0479 3.0479 3.1189 3.1189 3.1986 3.2027 3.3340 3.3340 3.8284 3.8284 3.8871 3.9114 6.3090 6.3090 6.6537 6.7358 6.7358 6.7844 8.5592 8.5592 8.7138 8.7138 8.8730 8.9420 k = 0.0319 0.0313 0.0306 ( 7076 PWs) bands (ev): -13.8401 -13.8401 -12.8322 -12.8320 -12.8320 -12.8295 -12.5460 -12.5460 -12.1346 -12.1319 -12.1170 -12.1170 -5.5382 -5.5382 -5.5123 -5.5114 -5.4118 -5.4118 -2.9235 -2.9235 -0.4122 -0.4122 0.0539 0.0539 0.1701 0.1855 1.0289 1.0289 1.0896 1.0896 1.3736 1.4152 1.4400 1.4400 1.8976 1.8976 2.0175 2.0437 2.4460 2.4460 2.5428 2.5504 2.5554 2.5554 3.0408 3.0408 3.1111 3.1111 3.1919 3.1950 3.3363 3.3363 3.8366 3.8366 3.8988 3.9170 6.3061 6.3061 6.6658 6.7209 6.7209 6.7637 8.5584 8.5584 8.7083 8.7083 8.8827 8.9337 k = 0.0213 0.0208 0.0204 ( 7083 PWs) bands (ev): -13.8423 -13.8423 -12.8320 -12.8320 -12.8318 -12.8300 -12.5447 -12.5447 -12.1329 -12.1310 -12.1156 -12.1156 -5.5410 -5.5410 -5.5150 -5.5144 -5.4126 -5.4126 -2.9192 -2.9192 -0.4142 -0.4142 0.0541 0.0541 0.1724 0.1828 1.0388 1.0388 1.0904 1.0904 1.3794 1.4072 1.4413 1.4413 1.8983 1.8983 2.0263 2.0438 2.4457 2.4457 2.5423 2.5475 2.5535 2.5535 3.0358 3.0358 3.1054 3.1054 3.1871 3.1892 3.3380 3.3380 3.8424 3.8424 3.9080 3.9202 6.3039 6.3039 6.6790 6.7102 6.7102 6.7442 8.5571 8.5572 8.7048 8.7048 8.8919 8.9256 k = 0.0106 0.0104 0.0102 ( 7053 PWs) bands (ev): -13.8436 -13.8436 -12.8321 -12.8321 -12.8314 -12.8305 -12.5439 -12.5439 -12.1316 -12.1307 -12.1148 -12.1148 -5.5427 -5.5427 -5.5165 -5.5162 -5.4130 -5.4130 -2.9165 -2.9165 -0.4154 -0.4154 0.0542 0.0542 0.1749 0.1801 1.0450 1.0450 1.0906 1.0906 1.3856 1.3996 1.4420 1.4420 1.8987 1.8987 2.0334 2.0422 2.4456 2.4456 2.5425 2.5452 2.5523 2.5523 3.0328 3.0328 3.1019 3.1019 3.1845 3.1855 3.3391 3.3391 3.8459 3.8459 3.9148 3.9209 6.3026 6.3026 6.6934 6.7037 6.7037 6.7260 8.5561 8.5561 8.7030 8.7030 8.9008 8.9175 k = 0.0000 0.0000 0.0000 ( 7047 PWs) bands (ev): -13.8440 -13.8440 -12.8321 -12.8321 -12.8310 -12.8310 -12.5436 -12.5436 -12.1309 -12.1309 -12.1146 -12.1146 -5.5432 -5.5432 -5.5169 -5.5169 -5.4131 -5.4131 -2.9156 -2.9156 -0.4159 -0.4159 0.0543 0.0543 0.1774 0.1774 1.0472 1.0472 1.0907 1.0907 1.3924 1.3924 1.4423 1.4423 1.8989 1.8989 2.0387 2.0387 2.4456 2.4456 2.5435 2.5435 2.5519 2.5519 3.0318 3.0318 3.1008 3.1008 3.1839 3.1839 3.3394 3.3394 3.8471 3.8471 3.9191 3.9191 6.3022 6.3022 6.7015 6.7015 6.7091 6.7091 8.5557 8.5557 8.7024 8.7024 8.9092 8.9092 k = 0.0000 0.0000 0.0000 ( 7047 PWs) bands (ev): -13.8440 -13.8440 -12.8321 -12.8321 -12.8310 -12.8310 -12.5436 -12.5436 -12.1309 -12.1309 -12.1146 -12.1146 -5.5432 -5.5432 -5.5169 -5.5169 -5.4131 -5.4131 -2.9156 -2.9156 -0.4159 -0.4159 0.0543 0.0543 0.1774 0.1774 1.0472 1.0472 1.0907 1.0907 1.3924 1.3924 1.4423 1.4423 1.8989 1.8989 2.0387 2.0387 2.4456 2.4456 2.5435 2.5435 2.5519 2.5519 3.0318 3.0318 3.1008 3.1008 3.1839 3.1839 3.3394 3.3394 3.8471 3.8471 3.9191 3.9191 6.3022 6.3022 6.7015 6.7015 6.7091 6.7091 8.5557 8.5557 8.7024 8.7024 8.9092 8.9092 k = 0.0126-0.0003-0.0128 ( 7051 PWs) bands (ev): -13.8436 -13.8432 -12.8340 -12.8339 -12.8314 -12.8310 -12.5422 -12.5410 -12.1313 -12.1313 -12.1156 -12.1143 -5.5598 -5.5469 -5.5250 -5.5220 -5.3993 -5.3892 -2.9173 -2.9171 -0.4185 -0.4135 0.0525 0.0538 0.1781 0.1783 1.0449 1.0478 1.0888 1.0925 1.3893 1.3902 1.4363 1.4505 1.8898 1.9066 2.0368 2.0370 2.4310 2.4584 2.5441 2.5449 2.5516 2.5575 3.0265 3.0387 3.0971 3.1072 3.1850 3.1851 3.3373 3.3392 3.8464 3.8470 3.9187 3.9187 6.2893 6.3142 6.6942 6.6984 6.7174 6.7203 8.5474 8.5563 8.6989 8.7067 8.9117 8.9121 k = 0.0251-0.0005-0.0257 ( 7053 PWs) bands (ev): -13.8418 -13.8410 -12.8407 -12.8403 -12.8312 -12.8301 -12.5370 -12.5347 -12.1325 -12.1324 -12.1175 -12.1148 -5.5933 -5.5765 -5.5279 -5.5245 -5.3604 -5.3467 -2.9220 -2.9216 -0.4214 -0.4116 0.0482 0.0518 0.1798 0.1814 1.0413 1.0463 1.0869 1.0940 1.3794 1.3852 1.4335 1.4591 1.8796 1.9125 2.0311 2.0323 2.4164 2.4674 2.5460 2.5511 2.5549 2.5677 3.0232 3.0461 3.0970 3.1160 3.1881 3.1887 3.3330 3.3369 3.8450 3.8462 3.9176 3.9176 6.2763 6.3241 6.6873 6.6988 6.7307 6.7404 8.5325 8.5495 8.6943 8.7130 8.9179 8.9214 k = 0.0377-0.0008-0.0385 ( 7067 PWs) bands (ev): -13.8388 -13.8376 -12.8514 -12.8508 -12.8305 -12.8288 -12.5285 -12.5251 -12.1345 -12.1341 -12.1201 -12.1161 -5.6323 -5.6154 -5.5261 -5.5238 -5.3127 -5.2977 -2.9298 -2.9292 -0.4244 -0.4101 0.0411 0.0489 0.1817 0.1869 1.0365 1.0424 1.0845 1.0952 1.3640 1.3793 1.4323 1.4670 1.8689 1.9162 2.0217 2.0255 2.4033 2.4722 2.5499 2.5598 2.5638 2.5809 3.0219 3.0526 3.1011 3.1268 3.1929 3.1945 3.3266 3.3328 3.8429 3.8447 3.9157 3.9158 6.2644 6.3313 6.6821 6.7071 6.7467 6.7659 8.5127 8.5367 8.6869 8.7212 8.9264 8.9372 k = 0.0503-0.0011-0.0513 ( 7065 PWs) bands (ev): -13.8345 -13.8329 -12.8651 -12.8645 -12.8294 -12.8271 -12.5174 -12.5130 -12.1374 -12.1365 -12.1234 -12.1181 -5.6717 -5.6552 -5.5231 -5.5213 -5.2611 -5.2456 -2.9406 -2.9398 -0.4274 -0.4091 0.0314 0.0457 0.1835 0.1947 1.0306 1.0361 1.0807 1.0964 1.3452 1.3737 1.4308 1.4742 1.8578 1.9173 2.0094 2.0173 2.3921 2.4737 2.5563 2.5672 2.5802 2.5963 3.0223 3.0577 3.1087 3.1397 3.1990 3.2022 3.3188 3.3277 3.8400 3.8423 3.9131 3.9135 6.2541 6.3357 6.6784 6.7234 6.7652 6.7959 8.4890 8.5200 8.6762 8.7302 8.9361 8.9587 k = 0.0628-0.0013-0.0641 ( 7061 PWs) bands (ev): -13.8289 -13.8269 -12.8814 -12.8807 -12.8278 -12.8251 -12.5043 -12.4990 -12.1413 -12.1395 -12.1276 -12.1209 -5.7100 -5.6941 -5.5193 -5.5177 -5.2072 -5.1916 -2.9544 -2.9535 -0.4304 -0.4086 0.0195 0.0427 0.1847 0.2044 1.0230 1.0278 1.0747 1.0978 1.3243 1.3694 1.4274 1.4808 1.8468 1.9154 1.9955 2.0083 2.3830 2.4731 2.5651 2.5763 2.5993 2.6133 3.0241 3.0621 3.1178 3.1543 3.2061 3.2107 3.3102 3.3227 3.8364 3.8392 3.9099 3.9106 6.2461 6.3375 6.6762 6.7470 6.7859 6.8303 8.4623 8.5010 8.6626 8.7390 8.9458 8.9850 k = 0.0754-0.0016-0.0770 ( 7059 PWs) bands (ev): -13.8221 -13.8197 -12.8995 -12.8987 -12.8259 -12.8226 -12.4899 -12.4838 -12.1460 -12.1431 -12.1326 -12.1243 -5.7466 -5.7313 -5.5147 -5.5131 -5.1518 -5.1362 -2.9712 -2.9702 -0.4334 -0.4086 0.0059 0.0400 0.1853 0.2159 1.0110 1.0196 1.0663 1.0992 1.3020 1.3671 1.4215 1.4871 1.8362 1.9101 1.9818 1.9994 2.3757 2.4708 2.5761 2.5869 2.6201 2.6316 3.0267 3.0663 3.1264 3.1689 3.2143 3.2187 3.3024 3.3195 3.8320 3.8353 3.9062 3.9074 6.2407 6.3376 6.6752 6.7765 6.8092 6.8684 8.4331 8.4809 8.6468 8.7468 8.9549 9.0149 k = 0.0879-0.0018-0.0898 ( 7063 PWs) bands (ev): -13.8140 -13.8112 -12.9191 -12.9182 -12.8237 -12.8198 -12.4747 -12.4678 -12.1517 -12.1471 -12.1385 -12.1283 -5.7811 -5.7664 -5.5093 -5.5076 -5.0954 -5.0799 -2.9910 -2.9898 -0.4361 -0.4091 -0.0090 0.0379 0.1852 0.2287 0.9937 1.0119 1.0559 1.1004 1.2790 1.3672 1.4130 1.4934 1.8262 1.9013 1.9699 1.9910 2.3697 2.4670 2.5886 2.5990 2.6421 2.6514 3.0299 3.0709 3.1325 3.1793 3.2244 3.2251 3.2976 3.3201 3.8269 3.8307 3.9022 3.9038 6.2384 6.3369 6.6753 6.8105 6.8351 6.9101 8.4018 8.4604 8.6293 8.7529 8.9628 9.0475 k = 0.1005-0.0021-0.1026 ( 7065 PWs) bands (ev): -13.8047 -13.8015 -12.9396 -12.9386 -12.8210 -12.8167 -12.4591 -12.4514 -12.1583 -12.1517 -12.1451 -12.1329 -5.8133 -5.7993 -5.5032 -5.5014 -5.0381 -5.0229 -3.0137 -3.0124 -0.4386 -0.4101 -0.0248 0.0365 0.1843 0.2426 0.9717 1.0036 1.0440 1.1009 1.2558 1.3697 1.4023 1.5001 1.8172 1.8898 1.9604 1.9834 2.3646 2.4618 2.6020 2.6122 2.6652 2.6727 3.0334 3.0757 3.1344 3.1810 3.2298 3.2383 3.2981 3.3253 3.8213 3.8255 3.8980 3.9001 6.2392 6.3364 6.6761 6.8462 6.8651 6.9551 8.3686 8.4401 8.6108 8.7571 8.9690 9.0820 k = 0.1131-0.0024-0.1154 ( 7063 PWs) bands (ev): -13.7941 -13.7905 -12.9608 -12.9597 -12.8181 -12.8132 -12.4434 -12.4350 -12.1658 -12.1568 -12.1525 -12.1379 -5.8430 -5.8298 -5.4963 -5.4944 -4.9803 -4.9655 -3.0392 -3.0378 -0.4407 -0.4113 -0.0411 0.0357 0.1828 0.2574 0.9455 0.9935 1.0320 1.1001 1.2330 1.3721 1.3918 1.5071 1.8093 1.8772 1.9533 1.9770 2.3598 2.4550 2.6155 2.6261 2.6893 2.6959 3.0368 3.0805 3.1300 3.1735 3.2354 3.2545 3.3047 3.3344 3.8152 3.8197 3.8937 3.8961 6.2432 6.3367 6.6776 6.8799 6.9017 7.0029 8.3336 8.4202 8.5917 8.7592 8.9733 9.1180 k = 0.1256-0.0026-0.1283 ( 7055 PWs) bands (ev): -13.7823 -13.7783 -12.9825 -12.9813 -12.8148 -12.8094 -12.4279 -12.4188 -12.1741 -12.1634 -12.1598 -12.1434 -5.8701 -5.8578 -5.4888 -5.4867 -4.9223 -4.9080 -3.0675 -3.0660 -0.4425 -0.4128 -0.0577 0.0356 0.1807 0.2729 0.9157 0.9801 1.0215 1.0973 1.2115 1.3640 1.3923 1.5148 1.8027 1.8653 1.9482 1.9716 2.3548 2.4467 2.6289 2.6403 2.7141 2.7208 3.0400 3.0845 3.1193 3.1594 3.2439 3.2712 3.3158 3.3457 3.8087 3.8135 3.8895 3.8921 6.2505 6.3384 6.6795 6.9118 6.9439 7.0531 8.2972 8.4010 8.5722 8.7590 8.9758 9.1549 k = 0.1382-0.0029-0.1411 ( 7055 PWs) bands (ev): -13.7693 -13.7649 -13.0045 -13.0031 -12.8113 -12.8054 -12.4128 -12.4030 -12.1833 -12.1722 -12.1660 -12.1492 -5.8947 -5.8832 -5.4806 -5.4784 -4.8643 -4.8504 -3.0985 -3.0969 -0.4438 -0.4143 -0.0744 0.0362 0.1782 0.2888 0.8832 0.9621 1.0139 1.0913 1.1927 1.3469 1.4022 1.5232 1.7973 1.8553 1.9448 1.9674 2.3493 2.4368 2.6419 2.6544 2.7397 2.7474 3.0425 3.0850 3.1057 3.1411 3.2555 3.2876 3.3291 3.3575 3.8022 3.8073 3.8853 3.8880 6.2608 6.3422 6.6819 6.9437 6.9890 7.1052 8.2593 8.3826 8.5526 8.7565 8.9765 9.1921 k = 0.1508-0.0032-0.1539 ( 7061 PWs) bands (ev): -13.7551 -13.7504 -13.0265 -13.0250 -12.8075 -12.8012 -12.3984 -12.3878 -12.1932 -12.1826 -12.1718 -12.1552 -5.9165 -5.9059 -5.4718 -5.4695 -4.8066 -4.7932 -3.1321 -3.1303 -0.4447 -0.4157 -0.0909 0.0374 0.1752 0.3051 0.8489 0.9398 1.0090 1.0812 1.1778 1.3268 1.4156 1.5324 1.7933 1.8479 1.9431 1.9640 2.3431 2.4251 2.6543 2.6683 2.7660 2.7748 3.0435 3.0733 3.0986 3.1215 3.2695 3.3036 3.3426 3.3689 3.7954 3.8013 3.8813 3.8839 6.2738 6.3484 6.6846 6.9762 7.0356 7.1587 8.2202 8.3651 8.5328 8.7520 8.9757 9.2283 k = 0.1633-0.0034-0.1667 ( 7061 PWs) bands (ev): -13.7398 -13.7347 -13.0484 -13.0468 -12.8035 -12.7967 -12.3849 -12.3734 -12.2036 -12.1939 -12.1777 -12.1615 -5.9357 -5.9260 -5.4624 -5.4601 -4.7493 -4.7366 -3.1682 -3.1661 -0.4450 -0.4168 -0.1072 0.0393 0.1719 0.3213 0.8137 0.9139 1.0063 1.0671 1.1674 1.3054 1.4312 1.5423 1.7906 1.8434 1.9430 1.9617 2.3358 2.4116 2.6659 2.6818 2.7928 2.8027 3.0387 3.0556 3.0904 3.1081 3.2851 3.3192 3.3551 3.3792 3.7885 3.7961 3.8774 3.8798 6.2890 6.3575 6.6877 7.0095 7.0830 7.2130 8.1800 8.3487 8.5129 8.7455 8.9738 9.2600 k = 0.1759-0.0037-0.1796 ( 7055 PWs) bands (ev): -13.7233 -13.7178 -13.0702 -13.0685 -12.7993 -12.7921 -12.3727 -12.3601 -12.2142 -12.2061 -12.1836 -12.1680 -5.9521 -5.9434 -5.4525 -5.4501 -4.6929 -4.6807 -3.2066 -3.2041 -0.4449 -0.4175 -0.1230 0.0419 0.1682 0.3375 0.7780 0.8855 1.0046 1.0505 1.1609 1.2835 1.4484 1.5530 1.7891 1.8417 1.9443 1.9603 2.3274 2.3963 2.6767 2.6948 2.8195 2.8306 3.0180 3.0473 3.0724 3.1059 3.3016 3.3344 3.3661 3.3880 3.7814 3.7919 3.8733 3.8760 6.3053 6.3702 6.6912 7.0434 7.1308 7.2677 8.1392 8.3333 8.4928 8.7373 8.9710 9.2828 k = 0.1884-0.0039-0.1924 ( 7061 PWs) bands (ev): -13.7057 -13.6999 -13.0917 -13.0899 -12.7950 -12.7873 -12.3623 -12.3481 -12.2248 -12.2187 -12.1896 -12.1745 -5.9658 -5.9581 -5.4421 -5.4398 -4.6375 -4.6260 -3.2471 -3.2442 -0.4442 -0.4176 -0.1384 0.0451 0.1642 0.3532 0.7423 0.8552 1.0020 1.0350 1.1571 1.2620 1.4667 1.5645 1.7886 1.8426 1.9466 1.9607 2.3178 2.3791 2.6865 2.7072 2.8452 2.8581 2.9904 3.0360 3.0590 3.1053 3.3183 3.3489 3.3754 3.3952 3.7743 3.7888 3.8690 3.8725 6.3217 6.3870 6.6953 7.0776 7.1787 7.3222 8.0980 8.3192 8.4725 8.7277 8.9679 9.3014 k = 0.2010-0.0042-0.2052 ( 7065 PWs) bands (ev): -13.6870 -13.6808 -13.1129 -13.1110 -12.7907 -12.7824 -12.3544 -12.3379 -12.2349 -12.2310 -12.1955 -12.1810 -5.9768 -5.9700 -5.4312 -5.4290 -4.5835 -4.5725 -3.2896 -3.2861 -0.4430 -0.4169 -0.1532 0.0491 0.1598 0.3682 0.7071 0.8238 0.9939 1.0263 1.1550 1.2415 1.4856 1.5766 1.7888 1.8456 1.9485 1.9642 2.3069 2.3602 2.6953 2.7187 2.8677 2.8851 2.9614 3.0175 3.0535 3.1040 3.3347 3.3624 3.3835 3.4008 3.7674 3.7868 3.8644 3.8692 6.3372 6.4084 6.7003 7.1120 7.2264 7.3759 8.0568 8.3062 8.4516 8.7172 8.9646 9.3187 k = 0.2136-0.0045-0.2180 ( 7061 PWs) bands (ev): -13.6673 -13.6608 -13.1335 -13.1316 -12.7863 -12.7775 -12.3503 -12.3301 -12.2455 -12.2404 -12.2013 -12.1875 -5.9850 -5.9793 -5.4199 -5.4178 -4.5311 -4.5208 -3.3338 -3.3295 -0.4414 -0.4152 -0.1673 0.0538 0.1552 0.3822 0.6726 0.7921 0.9797 1.0261 1.1542 1.2228 1.5048 1.5893 1.7891 1.8506 1.9494 1.9716 2.2948 2.3397 2.7026 2.7293 2.8819 2.9119 2.9340 3.0002 3.0499 3.1020 3.3499 3.3743 3.3914 3.4049 3.7606 3.7859 3.8596 3.8662 6.3510 6.4339 6.7063 7.1461 7.2737 7.4282 8.0163 8.2946 8.4304 8.7061 8.9617 9.3350 k = 0.2261-0.0047-0.2309 ( 7055 PWs) bands (ev): -13.6465 -13.6397 -13.1537 -13.1517 -12.7820 -12.7727 -12.3509 -12.3263 -12.2556 -12.2454 -12.2069 -12.1937 -5.9907 -5.9859 -5.4083 -5.4062 -4.4808 -4.4710 -3.3793 -3.3742 -0.4396 -0.4124 -0.1808 0.0594 0.1502 0.3949 0.6389 0.7605 0.9644 1.0299 1.1542 1.2066 1.5238 1.6025 1.7888 1.8571 1.9502 1.9822 2.2813 2.3178 2.7082 2.7385 2.8768 2.9143 2.9385 2.9907 3.0464 3.1002 3.3628 3.3840 3.4002 3.4082 3.7540 3.7858 3.8545 3.8632 6.3632 6.4630 6.7136 7.1795 7.3203 7.4779 7.9775 8.2841 8.4088 8.6953 8.9595 9.3491 k = 0.2387-0.0050-0.2437 ( 7057 PWs) bands (ev): -13.6248 -13.6176 -13.1732 -13.1713 -12.7778 -12.7679 -12.3569 -12.3282 -12.2621 -12.2469 -12.2122 -12.1996 -5.9937 -5.9900 -5.3963 -5.3943 -4.4329 -4.4236 -3.4257 -3.4197 -0.4376 -0.4083 -0.1936 0.0658 0.1450 0.4061 0.6060 0.7297 0.9508 1.0353 1.1551 1.1939 1.5420 1.6162 1.7874 1.8643 1.9520 1.9955 2.2665 2.2950 2.7117 2.7459 2.8525 2.8997 2.9641 2.9926 3.0427 3.0998 3.3718 3.3921 3.4089 3.4125 3.7476 3.7862 3.8494 3.8603 6.3736 6.4945 6.7226 7.2119 7.3660 7.5234 7.9424 8.2750 8.3871 8.6854 8.9582 9.3602 k = 0.2513-0.0053-0.2565 ( 7047 PWs) bands (ev): -13.6022 -13.5947 -13.1921 -13.1901 -12.7738 -12.7632 -12.3676 -12.3368 -12.2640 -12.2456 -12.2171 -12.2048 -5.9944 -5.9916 -5.3839 -5.3821 -4.3878 -4.3790 -3.4727 -3.4655 -0.4355 -0.4029 -0.2056 0.0729 0.1398 0.4157 0.5741 0.7001 0.9401 1.0411 1.1568 1.1851 1.5591 1.6303 1.7843 1.8714 1.9557 2.0108 2.2500 2.2722 2.7124 2.7510 2.8229 2.8813 2.9874 3.0022 3.0391 3.1023 3.3764 3.3979 3.4150 3.4213 3.7412 3.7867 3.8445 3.8576 6.3823 6.5276 6.7335 7.2430 7.4106 7.5614 7.9140 8.2671 8.3658 8.6771 8.9578 9.3675 k = 0.2638-0.0055-0.2693 ( 7061 PWs) bands (ev): -13.5787 -13.5709 -13.2102 -13.2083 -12.7702 -12.7588 -12.3820 -12.3506 -12.2629 -12.2430 -12.2215 -12.2087 -5.9926 -5.9908 -5.3712 -5.3695 -4.3463 -4.3377 -3.5195 -3.5111 -0.4334 -0.3963 -0.2168 0.0805 0.1349 0.4234 0.5435 0.6718 0.9331 1.0466 1.1597 1.1807 1.5743 1.6446 1.7793 1.8769 1.9625 2.0277 2.2308 2.2508 2.7094 2.7531 2.7932 2.8602 3.0022 3.0193 3.0367 3.1090 3.3781 3.3995 3.4230 3.4308 3.7346 3.7865 3.8402 3.8552 6.3891 6.5612 6.7466 7.2724 7.4536 7.5869 7.8973 8.2604 8.3455 8.6711 8.9584 9.3710 k = 0.2764-0.0058-0.2822 ( 7061 PWs) bands (ev): -13.5544 -13.5463 -13.2275 -13.2256 -12.7669 -12.7548 -12.3990 -12.3676 -12.2612 -12.2405 -12.2251 -12.2106 -5.9887 -5.9876 -5.3583 -5.3566 -4.3089 -4.3005 -3.5655 -3.5558 -0.4313 -0.3887 -0.2270 0.0878 0.1313 0.4290 0.5144 0.6452 0.9300 1.0511 1.1645 1.1804 1.5871 1.6590 1.7722 1.8800 1.9728 2.0454 2.2088 2.2323 2.7014 2.7514 2.7662 2.8387 3.0091 3.0335 3.0439 3.1198 3.3779 3.3985 3.4316 3.4396 3.7276 3.7846 3.8372 3.8531 6.3941 6.5943 6.7620 7.2999 7.4948 7.5949 7.8976 8.2548 8.3274 8.6678 8.9598 9.3709 k = 0.2889-0.0061-0.2950 ( 7065 PWs) bands (ev): -13.5294 -13.5210 -13.2438 -13.2420 -12.7643 -12.7512 -12.4177 -12.3865 -12.2606 -12.2399 -12.2266 -12.2103 -5.9829 -5.9822 -5.3450 -5.3433 -4.2766 -4.2680 -3.6097 -3.5985 -0.4293 -0.3804 -0.2361 0.0927 0.1311 0.4317 0.4880 0.6205 0.9309 1.0547 1.1715 1.1836 1.5969 1.6735 1.7634 1.8805 1.9861 2.0627 2.1856 2.2163 2.6866 2.7409 2.7490 2.8177 3.0127 3.0365 3.0655 3.1338 3.3763 3.3959 3.4392 3.4477 3.7198 3.7801 3.8362 3.8516 6.3974 6.6257 6.7801 7.3253 7.5322 7.5857 7.9153 8.2502 8.3129 8.6676 8.9617 9.3680 k = 0.3015-0.0063-0.3078 ( 7067 PWs) bands (ev): -13.5038 -13.4951 -13.2592 -13.2574 -12.7625 -12.7482 -12.4377 -12.4064 -12.2614 -12.2424 -12.2248 -12.2080 -5.9755 -5.9744 -5.3314 -5.3296 -4.2504 -4.2415 -3.6508 -3.6382 -0.4275 -0.3718 -0.2436 0.0931 0.1367 0.4284 0.4676 0.5980 0.9356 1.0576 1.1798 1.1908 1.6029 1.6875 1.7534 1.8786 2.0007 2.0778 2.1641 2.2026 2.6652 2.7236 2.7400 2.7981 3.0155 3.0414 3.0871 3.1494 3.3736 3.3923 3.4455 3.4548 3.7111 3.7727 3.8372 3.8509 6.3993 6.6539 6.8012 7.3488 7.5465 7.5831 7.9449 8.2463 8.3041 8.6702 8.9637 9.3631 k = 0.3141-0.0066-0.3207 ( 7087 PWs) bands (ev): -13.4779 -13.4689 -13.2733 -13.2716 -12.7616 -12.7461 -12.4583 -12.4270 -12.2635 -12.2466 -12.2211 -12.2046 -5.9666 -5.9648 -5.3175 -5.3156 -4.2315 -4.2222 -3.6874 -3.6734 -0.4259 -0.3636 -0.2492 0.0894 0.1476 0.4149 0.4575 0.5785 0.9436 1.0604 1.1877 1.2025 1.6045 1.7009 1.7432 1.8748 2.0141 2.0869 2.1484 2.1919 2.6402 2.7078 2.7292 2.7803 3.0194 3.0482 3.1080 3.1658 3.3700 3.3880 3.4503 3.4610 3.7010 3.7625 3.8396 3.8511 6.4001 6.6775 6.8256 7.3705 7.5179 7.6126 7.9788 8.2432 8.3035 8.6755 8.9650 9.3563 k = 0.3266-0.0068-0.3335 ( 7093 PWs) bands (ev): -13.4518 -13.4428 -13.2858 -13.2842 -12.7619 -12.7451 -12.4792 -12.4477 -12.2663 -12.2512 -12.2167 -12.2008 -5.9562 -5.9537 -5.3031 -5.3011 -4.2213 -4.2115 -3.7179 -3.7027 -0.4247 -0.3567 -0.2520 0.0836 0.1620 0.3951 0.4534 0.5629 0.9544 1.0636 1.1955 1.2175 1.6010 1.7123 1.7347 1.8691 2.0229 2.0857 2.1437 2.1857 2.6149 2.6923 2.7166 2.7650 3.0250 3.0564 3.1280 3.1823 3.3657 3.3830 3.4538 3.4662 3.6895 3.7500 3.8429 3.8520 6.4001 6.6955 6.8531 7.3904 7.4809 7.6439 8.0107 8.2410 8.3135 8.6828 8.9650 9.3477 k = 0.3392-0.0071-0.3463 ( 7090 PWs) bands (ev): -13.4264 -13.4173 -13.2962 -13.2945 -12.7637 -12.7455 -12.4998 -12.4682 -12.2694 -12.2560 -12.2123 -12.1970 -5.9444 -5.9414 -5.2883 -5.2862 -4.2206 -4.2107 -3.7407 -3.7249 -0.4239 -0.3522 -0.2511 0.0767 0.1786 0.3748 0.4493 0.5524 0.9673 1.0672 1.2037 1.2343 1.5925 1.7167 1.7333 1.8615 2.0237 2.0777 2.1477 2.1846 2.5909 2.6770 2.7025 2.7530 3.0324 3.0655 3.1472 3.1983 3.3608 3.3776 3.4562 3.4703 3.6766 3.7355 3.8465 3.8539 6.3998 6.7076 6.8831 7.4082 7.4430 7.6727 8.0364 8.2402 8.3361 8.6914 8.9629 9.3382 k = 0.3518-0.0074-0.3591 ( 7082 PWs) bands (ev): -13.4029 -13.3943 -13.3031 -13.3009 -12.7673 -12.7478 -12.5196 -12.4880 -12.2726 -12.2606 -12.2079 -12.1933 -5.9316 -5.9282 -5.2730 -5.2708 -4.2298 -4.2201 -3.7552 -3.7394 -0.4234 -0.3507 -0.2460 0.0691 0.1967 0.3559 0.4431 0.5476 0.9815 1.0714 1.2126 1.2521 1.5798 1.7122 1.7406 1.8517 2.0167 2.0682 2.1558 2.1867 2.5692 2.6619 2.6884 2.7449 3.0413 3.0751 3.1657 3.2137 3.3554 3.3719 3.4576 3.4734 3.6621 3.7192 3.8498 3.8564 6.3994 6.7135 6.9146 7.3999 7.4312 7.6981 8.0545 8.2406 8.3710 8.7004 8.9581 9.3283 k = 0.3643-0.0076-0.3720 ( 7084 PWs) bands (ev): -13.3844 -13.3772 -13.3036 -13.2998 -12.7731 -12.7525 -12.5381 -12.5068 -12.2757 -12.2649 -12.2039 -12.1900 -5.9182 -5.9144 -5.2572 -5.2549 -4.2480 -4.2391 -3.7619 -3.7467 -0.4233 -0.3522 -0.2369 0.0611 0.2155 0.3392 0.4351 0.5483 0.9958 1.0760 1.2221 1.2701 1.5645 1.7063 1.7482 1.8395 2.0062 2.0577 2.1656 2.1884 2.5505 2.6464 2.6769 2.7406 3.0511 3.0849 3.1837 3.2283 3.3499 3.3661 3.4581 3.4756 3.6463 3.7014 3.8529 3.8593 6.3994 6.7136 6.9463 7.3649 7.4478 7.7198 8.0666 8.2416 8.4161 8.7089 8.9501 9.3170 k = 0.3769-0.0079-0.3848 ( 7092 PWs) bands (ev): -13.3748 -13.3698 -13.2937 -13.2876 -12.7814 -12.7602 -12.5545 -12.5241 -12.2786 -12.2690 -12.2001 -12.1871 -5.9043 -5.9003 -5.2408 -5.2384 -4.2737 -4.2658 -3.7622 -3.7482 -0.4235 -0.3561 -0.2246 0.0526 0.2340 0.3254 0.4269 0.5532 1.0093 1.0806 1.2323 1.2880 1.5486 1.7004 1.7533 1.8254 1.9958 2.0461 2.1753 2.1874 2.5348 2.6296 2.6708 2.7400 3.0615 3.0944 3.2013 3.2419 3.3444 3.3603 3.4581 3.4770 3.6293 3.6822 3.8558 3.8622 6.4001 6.7079 6.9774 7.3318 7.4660 7.7374 8.0754 8.2430 8.4679 8.7163 8.9391 9.3014 k = 0.3894-0.0082-0.3976 ( 7090 PWs) bands (ev): -13.3737 -13.3703 -13.2740 -13.2660 -12.7925 -12.7712 -12.5685 -12.5395 -12.2813 -12.2728 -12.1966 -12.1846 -5.8904 -5.8863 -5.2240 -5.2216 -4.3048 -4.2980 -3.7579 -3.7453 -0.4238 -0.3615 -0.2101 0.0436 0.2502 0.3151 0.4207 0.5608 1.0208 1.0847 1.2434 1.3052 1.5340 1.6946 1.7541 1.8108 1.9868 2.0346 2.1818 2.1839 2.5219 2.6120 2.6714 2.7428 3.0720 3.1033 3.2186 3.2546 3.3391 3.3547 3.4576 3.4776 3.6111 3.6618 3.8585 3.8650 6.4018 6.6969 7.0071 7.3023 7.4850 7.7506 8.0832 8.2441 8.5233 8.7219 8.9254 9.2803 k = 0.4020-0.0084-0.4104 ( 7094 PWs) bands (ev): -13.3769 -13.3745 -13.2486 -13.2396 -12.8065 -12.7858 -12.5796 -12.5529 -12.2837 -12.2762 -12.1934 -12.1826 -5.8768 -5.8726 -5.2069 -5.2045 -4.3390 -4.3334 -3.7509 -3.7398 -0.4242 -0.3679 -0.1941 0.0341 0.2615 0.3091 0.4189 0.5698 1.0294 1.0875 1.2558 1.3214 1.5226 1.6884 1.7487 1.7978 1.9795 2.0244 2.1746 2.1874 2.5115 2.5944 2.6782 2.7486 3.0820 3.1111 3.2357 3.2663 3.3343 3.3498 3.4569 3.4776 3.5921 3.6404 3.8609 3.8673 6.4049 6.6812 7.0347 7.2768 7.5050 7.7593 8.0917 8.2446 8.5795 8.7259 8.9101 9.2551 k = 0.4146-0.0087-0.4233 ( 7092 PWs) bands (ev): -13.3816 -13.3798 -13.2205 -13.2109 -12.8235 -12.8038 -12.5879 -12.5641 -12.2858 -12.2793 -12.1906 -12.1809 -5.8637 -5.8597 -5.1895 -5.1872 -4.3745 -4.3700 -3.7425 -3.7329 -0.4244 -0.3748 -0.1772 0.0239 0.2663 0.3067 0.4242 0.5791 1.0346 1.0881 1.2699 1.3365 1.5155 1.6815 1.7371 1.7871 1.9738 2.0162 2.1644 2.1879 2.5034 2.5775 2.6901 2.7567 3.0913 3.1178 3.2525 3.2769 3.3300 3.3461 3.4562 3.4771 3.5725 3.6182 3.8632 3.8693 6.4095 6.6615 7.0600 7.2551 7.5263 7.7634 8.1015 8.2440 8.6343 8.7283 8.8944 9.2274 k = 0.4271-0.0089-0.4361 ( 7096 PWs) bands (ev): -13.3865 -13.3850 -13.1911 -13.1811 -12.8431 -12.8247 -12.5938 -12.5733 -12.2876 -12.2821 -12.1881 -12.1796 -5.8516 -5.8480 -5.1723 -5.1702 -4.4096 -4.4060 -3.7338 -3.7257 -0.4245 -0.3817 -0.1600 0.0131 0.2668 0.3047 0.4371 0.5876 1.0366 1.0858 1.2859 1.3500 1.5135 1.6730 1.7228 1.7769 1.9700 2.0102 2.1534 2.1847 2.4975 2.5619 2.7055 2.7661 3.0994 3.1230 3.2682 3.2864 3.3264 3.3447 3.4557 3.4762 3.5525 3.5955 3.8652 3.8708 6.4159 6.6389 7.0826 7.2370 7.5488 7.7630 8.1128 8.2420 8.6846 8.7300 8.8805 9.1978 k = 0.4397-0.0092-0.4489 ( 7098 PWs) bands (ev): -13.3909 -13.3898 -13.1612 -13.1509 -12.8650 -12.8481 -12.5976 -12.5807 -12.2890 -12.2844 -12.1858 -12.1787 -5.8408 -5.8376 -5.1557 -5.1539 -4.4427 -4.4399 -3.7255 -3.7189 -0.4242 -0.3885 -0.1426 0.0015 0.2660 0.3010 0.4565 0.5941 1.0363 1.0804 1.3036 1.3619 1.5162 1.6611 1.7100 1.7652 1.9684 2.0059 2.1429 2.1784 2.4936 2.5476 2.7230 2.7759 3.1062 3.1268 3.2810 3.2953 3.3241 3.3464 3.4555 3.4751 3.5328 3.5727 3.8670 3.8719 6.4244 6.6143 7.1026 7.2217 7.5724 7.7584 8.1257 8.2382 8.7225 8.7357 8.8724 9.1667 k = 0.4523-0.0095-0.4617 ( 7098 PWs) bands (ev): -13.3947 -13.3939 -13.1313 -13.1210 -12.8885 -12.8732 -12.5998 -12.5865 -12.2901 -12.2865 -12.1839 -12.1782 -5.8316 -5.8288 -5.1405 -5.1389 -4.4722 -4.4701 -3.7182 -3.7130 -0.4234 -0.3950 -0.1253 -0.0107 0.2657 0.2957 0.4797 0.5973 1.0347 1.0725 1.3221 1.3717 1.5231 1.6454 1.7015 1.7518 1.9691 2.0023 2.1344 2.1697 2.4917 2.5349 2.7410 2.7847 3.1118 3.1290 3.2886 3.3026 3.3261 3.3515 3.4558 3.4741 3.5137 3.5504 3.8686 3.8726 6.4352 6.5888 7.1200 7.2087 7.5968 7.7498 8.1397 8.2326 8.7295 8.7574 8.8774 9.1343 k = 0.4648-0.0097-0.4746 ( 7092 PWs) bands (ev): -13.3977 -13.3971 -13.1021 -13.0919 -12.9127 -12.8990 -12.6008 -12.5911 -12.2908 -12.2881 -12.1822 -12.1780 -5.8241 -5.8220 -5.1273 -5.1261 -4.4968 -4.4953 -3.7121 -3.7083 -0.4220 -0.4010 -0.1083 -0.0236 0.2664 0.2898 0.5043 0.5963 1.0334 1.0632 1.3402 1.3788 1.5334 1.6271 1.6973 1.7376 1.9719 1.9988 2.1291 2.1597 2.4918 2.5237 2.7581 2.7914 3.1163 3.1297 3.2924 3.3043 3.3355 3.3584 3.4566 3.4735 3.4963 3.5292 3.8699 3.8730 6.4483 6.5633 7.1351 7.1973 7.6214 7.7375 8.1543 8.2251 8.7323 8.7652 8.8999 9.1007 k = 0.4774-0.0100-0.4874 ( 7100 PWs) bands (ev): -13.3998 -13.3994 -13.0746 -13.0654 -12.9358 -12.9244 -12.6008 -12.5946 -12.2911 -12.2894 -12.1808 -12.1781 -5.8186 -5.8173 -5.1172 -5.1164 -4.5150 -4.5140 -3.7076 -3.7051 -0.4199 -0.4063 -0.0918 -0.0373 0.2683 0.2839 0.5286 0.5902 1.0335 1.0538 1.3566 1.3824 1.5464 1.6079 1.6969 1.7240 1.9761 1.9947 2.1275 2.1494 2.4936 2.5142 2.7729 2.7949 3.1201 3.1291 3.2947 3.3025 3.3481 3.3649 3.4580 3.4736 3.4823 3.5100 3.8710 3.8730 6.4638 6.5385 7.1483 7.1869 7.6457 7.7219 8.1690 8.2156 8.7361 8.7613 8.9334 9.0658 k = 0.4899-0.0103-0.5002 ( 7096 PWs) bands (ev): -13.4009 -13.4008 -13.0519 -13.0460 -12.9530 -12.9462 -12.6001 -12.5973 -12.2911 -12.2904 -12.1797 -12.1785 -5.8153 -5.8147 -5.1111 -5.1107 -4.5256 -4.5252 -3.7046 -3.7036 -0.4171 -0.4111 -0.0758 -0.0516 0.2714 0.2784 0.5508 0.5789 1.0360 1.0453 1.3698 1.3815 1.5614 1.5890 1.7000 1.7123 1.9812 1.9899 2.1297 2.1401 2.4972 2.5064 2.7844 2.7944 3.1233 3.1274 3.2967 3.3001 3.3594 3.3676 3.4605 3.4690 3.4796 3.4942 3.8719 3.8728 6.4818 6.5152 7.1600 7.1768 7.6692 7.7034 8.1833 8.2043 8.7417 8.7537 8.9704 9.0298 k = 0.5101 0.4794-0.0205 ( 7096 PWs) bands (ev): -13.4009 -13.4008 -13.0519 -13.0460 -12.9531 -12.9462 -12.6000 -12.5973 -12.2911 -12.2904 -12.1797 -12.1785 -5.8153 -5.8147 -5.1111 -5.1107 -4.5256 -4.5252 -3.7046 -3.7036 -0.4171 -0.4111 -0.0758 -0.0516 0.2714 0.2784 0.5508 0.5789 1.0360 1.0453 1.3698 1.3815 1.5615 1.5890 1.7000 1.7123 1.9812 1.9899 2.1297 2.1401 2.4972 2.5064 2.7844 2.7944 3.1233 3.1274 3.2967 3.3001 3.3594 3.3676 3.4605 3.4690 3.4796 3.4943 3.8719 3.8728 6.4818 6.5152 7.1600 7.1768 7.6692 7.7034 8.1833 8.2043 8.7417 8.7537 8.9704 9.0298 k = 0.5000 0.4896-0.0205 ( 7090 PWs) bands (ev): -13.4012 -13.4012 -13.0424 -13.0424 -12.9559 -12.9559 -12.5989 -12.5989 -12.2909 -12.2909 -12.1790 -12.1790 -5.8143 -5.8143 -5.1094 -5.1094 -4.5281 -4.5281 -3.7035 -3.7035 -0.4143 -0.4143 -0.0635 -0.0635 0.2746 0.2746 0.5663 0.5663 1.0399 1.0399 1.3772 1.3772 1.5748 1.5748 1.7050 1.7050 1.9856 1.9856 2.1340 2.1340 2.5012 2.5012 2.7908 2.7908 3.1255 3.1255 3.2983 3.2983 3.3654 3.3654 3.4639 3.4639 3.4851 3.4851 3.8724 3.8724 6.4978 6.4978 7.1686 7.1686 7.6869 7.6869 8.1942 8.1942 8.7473 8.7473 9.0003 9.0003 k = 0.5000 0.4896-0.0205 ( 7090 PWs) bands (ev): -13.4012 -13.4012 -13.0424 -13.0424 -12.9559 -12.9559 -12.5989 -12.5989 -12.2909 -12.2909 -12.1790 -12.1790 -5.8143 -5.8143 -5.1094 -5.1094 -4.5281 -4.5281 -3.7035 -3.7035 -0.4143 -0.4143 -0.0635 -0.0635 0.2746 0.2746 0.5663 0.5663 1.0399 1.0399 1.3772 1.3772 1.5748 1.5748 1.7050 1.7050 1.9856 1.9856 2.1340 2.1340 2.5012 2.5012 2.7908 2.7908 3.1255 3.1255 3.2983 3.2983 3.3654 3.3654 3.4639 3.4639 3.4851 3.4851 3.8724 3.8724 6.4978 6.4978 7.1686 7.1686 7.6869 7.6869 8.1942 8.1942 8.7473 8.7473 9.0003 9.0003 k = 0.5004 0.4900-0.0028 ( 7091 PWs) bands (ev): -13.4008 -13.4008 -13.0425 -13.0420 -12.9558 -12.9551 -12.5994 -12.5987 -12.2919 -12.2907 -12.1799 -12.1792 -5.8138 -5.8123 -5.1091 -5.1091 -4.5293 -4.5279 -3.7053 -3.7050 -0.4152 -0.4120 -0.0645 -0.0616 0.2713 0.2785 0.5641 0.5693 1.0286 1.0511 1.3648 1.3894 1.5663 1.5840 1.6965 1.7140 1.9859 1.9889 2.1336 2.1353 2.4979 2.5019 2.7893 2.7933 3.1181 3.1296 3.2955 3.2999 3.3639 3.3654 3.4623 3.4643 3.4848 3.4868 3.8712 3.8741 6.4939 6.4997 7.1491 7.1874 7.6555 7.7050 8.1939 8.2108 8.6934 8.7959 8.9362 9.0670 k = 0.5007 0.4904 0.0150 ( 7101 PWs) bands (ev): -13.3998 -13.3997 -13.0424 -13.0414 -12.9548 -12.9535 -12.6003 -12.5990 -12.2939 -12.2915 -12.1820 -12.1806 -5.8107 -5.8079 -5.1084 -5.1082 -4.5315 -4.5286 -3.7104 -3.7097 -0.4147 -0.4083 -0.0647 -0.0588 0.2686 0.2829 0.5628 0.5732 1.0173 1.0622 1.3527 1.4011 1.5587 1.5937 1.6883 1.7232 1.9898 1.9959 2.1340 2.1373 2.4921 2.4999 2.7889 2.7967 3.1077 3.1301 3.2916 3.3001 3.3609 3.3640 3.4601 3.4637 3.4856 3.4898 3.8705 3.8762 6.4880 6.4997 7.1293 7.2048 7.6141 7.7083 8.2105 8.2406 8.6376 8.8207 8.8926 9.1333 k = 0.5011 0.4907 0.0328 ( 7100 PWs) bands (ev): -13.3980 -13.3979 -13.0420 -13.0405 -12.9529 -12.9510 -12.6015 -12.5996 -12.2969 -12.2933 -12.1851 -12.1830 -5.8052 -5.8009 -5.1071 -5.1069 -4.5347 -4.5302 -3.7186 -3.7176 -0.4129 -0.4032 -0.0642 -0.0550 0.2666 0.2877 0.5624 0.5778 1.0064 1.0730 1.3410 1.4118 1.5523 1.6035 1.6808 1.7328 1.9973 2.0062 2.1352 2.1400 2.4841 2.4953 2.7897 2.8009 3.0945 3.1268 3.2871 3.2987 3.3564 3.3609 3.4578 3.4625 3.4869 3.4938 3.8703 3.8787 6.4802 6.4977 7.1095 7.2202 7.5671 7.6987 8.2412 8.2801 8.5821 8.7798 8.9105 9.1973 k = 0.5015 0.4911 0.0505 ( 7092 PWs) bands (ev): -13.3956 -13.3955 -13.0413 -13.0393 -12.9503 -12.9476 -12.6032 -12.6007 -12.3006 -12.2959 -12.1894 -12.1866 -5.7972 -5.7915 -5.1053 -5.1051 -4.5387 -4.5328 -3.7299 -3.7286 -0.4098 -0.3967 -0.0632 -0.0502 0.2655 0.2929 0.5627 0.5831 0.9958 1.0834 1.3302 1.4211 1.5475 1.6131 1.6742 1.7427 2.0083 2.0198 2.1373 2.1434 2.4741 2.4884 2.7915 2.8055 3.0789 3.1198 3.2819 3.2958 3.3503 3.3561 3.4558 3.4611 3.4884 3.4981 3.8706 3.8815 6.4704 6.4940 7.0898 7.2322 7.5185 7.6798 8.2798 8.3261 8.5298 8.7188 8.9437 9.2569 k = 0.5019 0.4915 0.0683 ( 7094 PWs) bands (ev): -13.3925 -13.3923 -13.0404 -13.0378 -12.9467 -12.9435 -12.6052 -12.6021 -12.3053 -12.2994 -12.1947 -12.1913 -5.7868 -5.7796 -5.1031 -5.1027 -4.5437 -4.5364 -3.7441 -3.7426 -0.4056 -0.3891 -0.0616 -0.0444 0.2653 0.2986 0.5637 0.5890 0.9859 1.0935 1.3203 1.4286 1.5445 1.6215 1.6696 1.7530 2.0224 2.0363 2.1403 2.1475 2.4624 2.4794 2.7941 2.8104 3.0611 3.1090 3.2762 3.2912 3.3424 3.3494 3.4541 3.4599 3.4900 3.5026 3.8714 3.8847 6.4590 6.4887 7.0705 7.2385 7.4725 7.6551 8.3156 8.3759 8.4884 8.6569 8.9724 9.3090 k = 0.5022 0.4918 0.0861 ( 7088 PWs) bands (ev): -13.3888 -13.3886 -13.0392 -13.0361 -12.9423 -12.9385 -12.6076 -12.6040 -12.3106 -12.3037 -12.2011 -12.1970 -5.7739 -5.7654 -5.1004 -5.1000 -4.5496 -4.5409 -3.7612 -3.7595 -0.4003 -0.3803 -0.0595 -0.0375 0.2661 0.3046 0.5652 0.5951 0.9769 1.1034 1.3117 1.4338 1.5437 1.6268 1.6688 1.7636 2.0394 2.0553 2.1442 2.1523 2.4495 2.4688 2.7974 2.8155 3.0414 3.0949 3.2699 3.2850 3.3328 3.3407 3.4529 3.4591 3.4917 3.5069 3.8727 3.8881 6.4460 6.4818 7.0516 7.2350 7.4343 7.6273 8.3253 8.4260 8.4787 8.5985 8.9941 9.3499 k = 0.5026 0.4922 0.1038 ( 7094 PWs) bands (ev): -13.3845 -13.3842 -13.0377 -13.0341 -12.9371 -12.9327 -12.6105 -12.6064 -12.3167 -12.3088 -12.2084 -12.2038 -5.7588 -5.7489 -5.0973 -5.0968 -4.5565 -4.5463 -3.7810 -3.7790 -0.3941 -0.3706 -0.0572 -0.0296 0.2681 0.3110 0.5670 0.6014 0.9689 1.1129 1.3045 1.4368 1.5449 1.6272 1.6735 1.7745 2.0589 2.0761 2.1491 2.1579 2.4357 2.4572 2.8011 2.8204 3.0199 3.0777 3.2629 3.2773 3.3215 3.3301 3.4521 3.4588 3.4934 3.5108 3.8744 3.8917 6.4317 6.4736 7.0331 7.2172 7.4094 7.5981 8.2967 8.4627 8.5111 8.5565 9.0086 9.3754 k = 0.5030 0.4926 0.1216 ( 7098 PWs) bands (ev): -13.3797 -13.3793 -13.0358 -13.0318 -12.9312 -12.9261 -12.6138 -12.6093 -12.3233 -12.3145 -12.2167 -12.2115 -5.7413 -5.7301 -5.0939 -5.0933 -4.5642 -4.5526 -3.8031 -3.8010 -0.3872 -0.3600 -0.0546 -0.0209 0.2713 0.3178 0.5691 0.6076 0.9622 1.1222 1.2990 1.4377 1.5480 1.6236 1.6829 1.7857 2.0802 2.0976 2.1552 2.1646 2.4214 2.4450 2.8051 2.8251 2.9970 3.0579 3.2550 3.2681 3.3086 3.3176 3.4516 3.4589 3.4951 3.5144 3.8766 3.8954 6.4165 6.4642 7.0150 7.1847 7.3989 7.5686 8.2512 8.4439 8.5633 8.5723 9.0170 9.3845 k = 0.5034 0.4929 0.1394 ( 7096 PWs) bands (ev): -13.3744 -13.3739 -13.0337 -13.0292 -12.9244 -12.9188 -12.6176 -12.6127 -12.3304 -12.3208 -12.2259 -12.2202 -5.7216 -5.7091 -5.0901 -5.0894 -4.5729 -4.5599 -3.8275 -3.8252 -0.3797 -0.3489 -0.0517 -0.0113 0.2757 0.3249 0.5712 0.6135 0.9569 1.1314 1.2951 1.4371 1.5524 1.6179 1.6952 1.7972 2.1023 2.1181 2.1631 2.1736 2.4070 2.4332 2.8092 2.8295 2.9728 3.0358 3.2461 3.2575 3.2942 3.3034 3.4514 3.4594 3.4968 3.5174 3.8791 3.8992 6.4006 6.4538 6.9972 7.1422 7.3985 7.5396 8.2015 8.3930 8.6214 8.6219 9.0206 9.3804 k = 0.5037 0.4933 0.1571 ( 7104 PWs) bands (ev): -13.3686 -13.3680 -13.0311 -13.0262 -12.9169 -12.9108 -12.6220 -12.6166 -12.3379 -12.3276 -12.2359 -12.2297 -5.6998 -5.6860 -5.0860 -5.0853 -4.5825 -4.5682 -3.8539 -3.8514 -0.3718 -0.3373 -0.0487 -0.0009 0.2815 0.3325 0.5732 0.6187 0.9533 1.1406 1.2930 1.4355 1.5576 1.6112 1.7090 1.8090 2.1231 2.1344 2.1741 2.1869 2.3931 2.4225 2.8130 2.8334 2.9477 3.0119 3.2359 3.2455 3.2784 3.2876 3.4514 3.4603 3.4986 3.5199 3.8819 3.9029 6.3845 6.4428 6.9796 7.0948 7.4034 7.5115 8.1514 8.3374 8.6755 8.6824 9.0214 9.3684 k = 0.5041 0.4936 0.1749 ( 7106 PWs) bands (ev): -13.3625 -13.3618 -13.0283 -13.0229 -12.9087 -12.9022 -12.6268 -12.6212 -12.3457 -12.3349 -12.2466 -12.2401 -5.6759 -5.6609 -5.0817 -5.0809 -4.5931 -4.5775 -3.8818 -3.8793 -0.3636 -0.3255 -0.0454 0.0100 0.2885 0.3405 0.5751 0.6232 0.9514 1.1498 1.2929 1.4334 1.5632 1.6040 1.7238 1.8209 2.1395 2.1443 2.1905 2.2059 2.3805 2.4140 2.8165 2.8367 2.9221 2.9867 3.2244 3.2321 3.2614 3.2704 3.4516 3.4614 3.5003 3.5219 3.8849 3.9067 6.3686 6.4312 6.9621 7.0457 7.4107 7.4846 8.1024 8.2814 8.7293 8.7431 9.0207 9.3528 k = 0.5045 0.4940 0.1927 ( 7105 PWs) bands (ev): -13.3560 -13.3552 -13.0250 -13.0191 -12.8999 -12.8929 -12.6322 -12.6264 -12.3536 -12.3424 -12.2581 -12.2511 -5.6500 -5.6338 -5.0773 -5.0764 -4.6047 -4.5878 -3.9112 -3.9085 -0.3553 -0.3137 -0.0418 0.0213 0.2969 0.3489 0.5766 0.6266 0.9513 1.1591 1.2947 1.4311 1.5688 1.5966 1.7394 1.8329 2.1483 2.1501 2.2123 2.2283 2.3702 2.4089 2.8188 2.8391 2.8969 2.9608 3.2114 3.2174 3.2435 3.2521 3.4519 3.4626 3.5020 3.5234 3.8881 3.9103 6.3531 6.4195 6.9443 6.9965 7.4191 7.4590 8.0554 8.2259 8.7810 8.8029 9.0200 9.3359 k = 0.5048 0.4944 0.2104 ( 7107 PWs) bands (ev): -13.3494 -13.3484 -13.0212 -13.0150 -12.8905 -12.8831 -12.6381 -12.6323 -12.3615 -12.3501 -12.2701 -12.2629 -5.6223 -5.6049 -5.0727 -5.0717 -4.6174 -4.5992 -3.9415 -3.9387 -0.3469 -0.3023 -0.0377 0.0328 0.3065 0.3576 0.5779 0.6289 0.9532 1.1686 1.2983 1.4289 1.5740 1.5889 1.7556 1.8451 2.1480 2.1559 2.2371 2.2515 2.3636 2.4085 2.8185 2.8398 2.8737 2.9350 3.1967 3.2015 3.2251 3.2329 3.4524 3.4639 3.5036 3.5245 3.8914 3.9137 6.3385 6.4079 6.9263 6.9482 7.4278 7.4350 8.0107 8.1712 8.8291 8.8610 9.0205 9.3191 k = 0.5052 0.4947 0.2282 ( 7105 PWs) bands (ev): -13.3426 -13.3416 -13.0171 -13.0105 -12.8805 -12.8728 -12.6446 -12.6389 -12.3693 -12.3578 -12.2826 -12.2752 -5.5927 -5.5742 -5.0681 -5.0670 -4.6312 -4.6118 -3.9725 -3.9695 -0.3387 -0.2914 -0.0332 0.0443 0.3172 0.3667 0.5787 0.6298 0.9569 1.1783 1.3039 1.4271 1.5788 1.5810 1.7722 1.8572 2.1441 2.1580 2.2613 2.2732 2.3629 2.4139 2.8116 2.8377 2.8570 2.9112 3.1804 3.1842 3.2062 3.2130 3.4531 3.4652 3.5051 3.5252 3.8948 3.9169 6.3250 6.3967 6.9013 6.9077 7.4128 7.4364 7.9686 8.1175 8.8722 8.9169 9.0233 9.3032 k = 0.5056 0.4951 0.2460 ( 7109 PWs) bands (ev): -13.3358 -13.3346 -13.0124 -13.0055 -12.8700 -12.8621 -12.6517 -12.6462 -12.3769 -12.3656 -12.2955 -12.2880 -5.5616 -5.5419 -5.0635 -5.0622 -4.6463 -4.6257 -4.0036 -4.0005 -0.3306 -0.2814 -0.0279 0.0556 0.3289 0.3759 0.5792 0.6292 0.9626 1.1881 1.3111 1.4259 1.5730 1.5828 1.7889 1.8692 2.1374 2.1568 2.2820 2.2923 2.3703 2.4254 2.7947 2.8299 2.8503 2.8924 3.1622 3.1658 3.1874 3.1925 3.4539 3.4664 3.5065 3.5255 3.8982 3.9199 6.3130 6.3861 6.8561 6.8884 7.3925 7.4448 7.9293 8.0648 8.9087 8.9698 9.0297 9.2889 k = 0.5060 0.4955 0.2637 ( 7113 PWs) bands (ev): -13.3290 -13.3278 -13.0072 -13.0000 -12.8592 -12.8510 -12.6594 -12.6541 -12.3842 -12.3732 -12.3086 -12.3011 -5.5288 -5.5082 -5.0589 -5.0575 -4.6629 -4.6411 -4.0346 -4.0314 -0.3228 -0.2723 -0.0219 0.0664 0.3415 0.3853 0.5792 0.6272 0.9702 1.1979 1.3200 1.4254 1.5648 1.5859 1.8057 1.8809 2.1285 2.1525 2.2977 2.3086 2.3867 2.4422 2.7727 2.8140 2.8496 2.8816 3.1426 3.1462 3.1684 3.1717 3.4549 3.4676 3.5077 3.5256 3.9016 3.9226 6.3027 6.3765 6.8130 6.8683 7.3743 7.4528 7.8929 8.0132 8.9373 9.0187 9.0410 9.2768 k = 0.5063 0.4958 0.2815 ( 7106 PWs) bands (ev): -13.3224 -13.3211 -13.0015 -12.9941 -12.8481 -12.8397 -12.6675 -12.6627 -12.3911 -12.3807 -12.3218 -12.3145 -5.4947 -5.4730 -5.0545 -5.0529 -4.6809 -4.6581 -4.0650 -4.0616 -0.3153 -0.2645 -0.0149 0.0766 0.3548 0.3947 0.5789 0.6238 0.9796 1.2074 1.3304 1.4257 1.5566 1.5881 1.8221 1.8921 2.1183 2.1457 2.3100 2.3227 2.4096 2.4623 2.7501 2.7923 2.8510 2.8771 3.1218 3.1257 3.1493 3.1506 3.4560 3.4686 3.5088 3.5254 3.9049 3.9251 6.2943 6.3681 6.7721 6.8472 7.3585 7.4604 7.8594 7.9629 8.9577 9.0572 9.0622 9.2681 k = 0.5067 0.4962 0.2993 ( 7093 PWs) bands (ev): -13.3161 -13.3147 -12.9952 -12.9877 -12.8367 -12.8284 -12.6762 -12.6718 -12.3975 -12.3879 -12.3350 -12.3280 -5.4593 -5.4366 -5.0503 -5.0485 -4.7007 -4.6769 -4.0942 -4.0907 -0.3082 -0.2579 -0.0071 0.0858 0.3687 0.4041 0.5782 0.6190 0.9907 1.2165 1.3420 1.4268 1.5482 1.5891 1.8380 1.9026 2.1078 2.1374 2.3211 2.3354 2.4352 2.4832 2.7297 2.7689 2.8531 2.8757 3.1004 3.1046 3.1292 3.1297 3.4574 3.4695 3.5097 3.5251 3.9081 3.9272 6.2879 6.3610 6.7337 6.8250 7.3454 7.4674 7.8289 7.9141 8.9717 9.0768 9.0977 9.2646 k = 0.5071 0.4966 0.3170 ( 7096 PWs) bands (ev): -13.3101 -13.3087 -12.9884 -12.9808 -12.8254 -12.8171 -12.6853 -12.6815 -12.4035 -12.3948 -12.3478 -12.3413 -5.4228 -5.3991 -5.0463 -5.0443 -4.7224 -4.6976 -4.1218 -4.1183 -0.3014 -0.2526 0.0016 0.0940 0.3829 0.4134 0.5769 0.6129 1.0036 1.2246 1.3548 1.4288 1.5399 1.5888 1.8528 1.9120 2.0979 2.1285 2.3322 2.3473 2.4606 2.5020 2.7137 2.7468 2.8553 2.8756 3.0787 3.0833 3.1074 3.1096 3.4589 3.4703 3.5104 3.5246 3.9111 3.9290 6.2836 6.3552 6.6980 6.8018 7.3353 7.4736 7.8011 7.8673 8.9820 9.0975 9.1220 9.2687 k = 0.5074 0.4969 0.3348 ( 7095 PWs) bands (ev): -13.3046 -13.3032 -12.9811 -12.9736 -12.8141 -12.8060 -12.6946 -12.6914 -12.4088 -12.4014 -12.3603 -12.3545 -5.3853 -5.3607 -5.0427 -5.0403 -4.7460 -4.7206 -4.1474 -4.1439 -0.2949 -0.2487 0.0110 0.1010 0.3973 0.4226 0.5751 0.6057 1.0180 1.2313 1.3685 1.4317 1.5317 1.5871 1.8662 1.9200 2.0897 2.1200 2.3436 2.3584 2.4832 2.5158 2.7049 2.7286 2.8575 2.8760 3.0574 3.0619 3.0854 3.0889 3.4605 3.4710 3.5110 3.5241 3.9141 3.9306 6.2816 6.3507 6.6653 6.7776 7.3283 7.4789 7.7762 7.8229 8.9903 9.1178 9.1333 9.2795 k = 0.5078 0.4973 0.3526 ( 7083 PWs) bands (ev): -13.2996 -13.2982 -12.9734 -12.9660 -12.8030 -12.7953 -12.7041 -12.7015 -12.4136 -12.4076 -12.3719 -12.3671 -5.3470 -5.3215 -5.0393 -5.0366 -4.7718 -4.7458 -4.1706 -4.1671 -0.2888 -0.2460 0.0211 0.1065 0.4117 0.4316 0.5726 0.5975 1.0338 1.2361 1.3829 1.4353 1.5237 1.5840 1.8776 1.9259 2.0839 2.1128 2.3551 2.3688 2.5003 2.5224 2.7054 2.7171 2.8595 2.8766 3.0366 3.0409 3.0630 3.0675 3.4623 3.4715 3.5115 3.5234 3.9168 3.9318 6.2818 6.3474 6.6359 6.7525 7.3246 7.4826 7.7538 7.7817 8.9977 9.1344 9.1371 9.2887 k = 0.5082 0.4977 0.3703 ( 7087 PWs) bands (ev): -13.2952 -13.2939 -12.9653 -12.9583 -12.7925 -12.7852 -12.7136 -12.7116 -12.4179 -12.4135 -12.3826 -12.3790 -5.3082 -5.2817 -5.0365 -5.0332 -4.7997 -4.7734 -4.1910 -4.1877 -0.2830 -0.2443 0.0316 0.1105 0.4260 0.4406 0.5693 0.5885 1.0508 1.2384 1.3977 1.4396 1.5161 1.5794 1.8869 1.9297 2.0812 2.1075 2.3663 2.3781 2.5099 2.5217 2.7146 2.7154 2.8614 2.8771 3.0168 3.0204 3.0406 3.0455 3.4642 3.4720 3.5119 3.5227 3.9194 3.9327 6.2842 6.3449 6.6104 6.7269 7.3244 7.4841 7.7340 7.7446 9.0049 9.1292 9.1554 9.2880 k = 0.5086 0.4980 0.3881 ( 7077 PWs) bands (ev): -13.2915 -13.2904 -12.9571 -12.9505 -12.7826 -12.7761 -12.7228 -12.7214 -12.4217 -12.4190 -12.3920 -12.3898 -5.2689 -5.2415 -5.0341 -5.0302 -4.8298 -4.8034 -4.2083 -4.2053 -0.2776 -0.2437 0.0422 0.1129 0.4399 0.4495 0.5651 0.5790 1.0688 1.2379 1.4128 1.4445 1.5091 1.5731 1.8939 1.9311 2.0816 2.1042 2.3767 2.3861 2.5118 2.5163 2.7219 2.7326 2.8631 2.8774 2.9983 3.0001 3.0188 3.0231 3.4661 3.4723 3.5123 3.5219 3.9218 3.9333 6.2888 6.3427 6.5893 6.7011 7.3274 7.4824 7.7129 7.7166 9.0121 9.1208 9.1728 9.2803 k = 0.5089 0.4984 0.4059 ( 7065 PWs) bands (ev): -13.2886 -13.2876 -12.9489 -12.9430 -12.7738 -12.7681 -12.7315 -12.7304 -12.4252 -12.4241 -12.3998 -12.3992 -5.2294 -5.2011 -5.0323 -5.0275 -4.8618 -4.8356 -4.2223 -4.2198 -0.2725 -0.2438 0.0528 0.1137 0.4531 0.4584 0.5601 0.5691 1.0875 1.2342 1.4276 1.4496 1.5028 1.5651 1.8990 1.9306 2.0848 2.1026 2.3858 2.3924 2.5083 2.5092 2.7373 2.7543 2.8646 2.8776 2.9791 2.9810 2.9989 3.0008 3.4680 3.4727 3.5127 3.5211 3.9240 3.9337 6.2954 6.3401 6.5733 6.6755 7.3337 7.4763 7.6881 7.7016 9.0194 9.1108 9.1895 9.2700 k = 0.5093 0.4987 0.4236 ( 7062 PWs) bands (ev): -13.2865 -13.2856 -12.9410 -12.9360 -12.7662 -12.7617 -12.7392 -12.7385 -12.4285 -12.4284 -12.4067 -12.4061 -5.1901 -5.1607 -5.0312 -5.0251 -4.8956 -4.8700 -4.2330 -4.2309 -0.2677 -0.2447 0.0631 0.1127 0.4654 0.4673 0.5541 0.5592 1.1066 1.2272 1.4417 1.4549 1.4976 1.5555 1.9031 1.9285 2.0896 2.1021 2.3932 2.3970 2.5027 2.5028 2.7580 2.7784 2.8659 2.8774 2.9567 2.9634 2.9804 2.9824 3.4698 3.4729 3.5132 3.5203 3.9260 3.9337 6.3038 6.3364 6.5630 6.6507 7.3428 7.4651 7.6714 7.6892 9.0270 9.1000 9.2055 9.2590 k = 0.5097 0.4991 0.4414 ( 7062 PWs) bands (ev): -13.2852 -13.2845 -12.9339 -12.9300 -12.7602 -12.7571 -12.7456 -12.7451 -12.4318 -12.4313 -12.4121 -12.4109 -5.1513 -5.1205 -5.0313 -5.0229 -4.9306 -4.9064 -4.2403 -4.2387 -0.2632 -0.2462 0.0729 0.1102 0.4758 0.4764 0.5476 0.5498 1.1257 1.2169 1.4539 1.4601 1.4943 1.5442 1.9067 1.9257 2.0951 2.1015 2.3989 2.4004 2.4977 2.4979 2.7817 2.8036 2.8667 2.8769 2.9330 2.9425 2.9659 2.9697 3.4716 3.4732 3.5139 3.5194 3.9278 3.9335 6.3139 6.3313 6.5589 6.6274 7.3543 7.4489 7.6626 7.6794 9.0351 9.0890 9.2210 9.2476 k = 0.5101 0.4995 0.4592 ( 7060 PWs) bands (ev): -13.2847 -13.2843 -12.9279 -12.9253 -12.7562 -12.7546 -12.7500 -12.7496 -12.4338 -12.4338 -12.4153 -12.4141 -5.1135 -5.0807 -5.0333 -5.0206 -4.9656 -4.9444 -4.2441 -4.2431 -0.2589 -0.2481 0.0819 0.1060 0.4837 0.4852 0.5408 0.5415 1.1444 1.2037 1.4619 1.4648 1.4948 1.5315 1.9105 1.9228 2.1001 2.1002 2.4031 2.4032 2.4946 2.4950 2.8067 2.8290 2.8660 2.8762 2.9098 2.9183 2.9575 2.9606 3.4731 3.4735 3.5148 3.5185 3.9294 3.9330 6.3245 6.3252 6.5609 6.6061 7.3677 7.4294 7.6607 7.6726 9.0435 9.0779 9.2359 9.2361 k = 0.5101 0.4995 0.4592 ( 7060 PWs) bands (ev): -13.2847 -13.2843 -12.9279 -12.9253 -12.7562 -12.7546 -12.7500 -12.7496 -12.4338 -12.4338 -12.4153 -12.4141 -5.1135 -5.0807 -5.0333 -5.0206 -4.9656 -4.9444 -4.2441 -4.2431 -0.2589 -0.2481 0.0819 0.1060 0.4837 0.4852 0.5408 0.5415 1.1444 1.2037 1.4619 1.4648 1.4948 1.5315 1.9105 1.9228 2.1001 2.1002 2.4031 2.4032 2.4946 2.4950 2.8067 2.8290 2.8660 2.8762 2.9098 2.9183 2.9575 2.9606 3.4731 3.4735 3.5148 3.5185 3.9294 3.9330 6.3245 6.3252 6.5609 6.6061 7.3677 7.4294 7.6607 7.6726 9.0435 9.0779 9.2359 9.2361 k = 0.5050 0.4946 0.4694 ( 7060 PWs) bands (ev): -13.2846 -13.2844 -12.9242 -12.9229 -12.7549 -12.7542 -12.7516 -12.7515 -12.4349 -12.4349 -12.4166 -12.4160 -5.0824 -5.0467 -5.0392 -5.0173 -4.9927 -4.9782 -4.2454 -4.2449 -0.2556 -0.2502 0.0891 0.1012 0.4891 0.4901 0.5362 0.5363 1.1602 1.1903 1.4660 1.4664 1.5002 1.5200 1.9139 1.9202 2.1010 2.1010 2.4052 2.4052 2.4934 2.4936 2.8284 2.8505 2.8612 2.8766 2.8923 2.8972 2.9540 2.9557 3.4738 3.4739 3.5156 3.5176 3.9306 3.9324 6.3263 6.3264 6.5671 6.5901 7.3808 7.4120 7.6622 7.6684 9.0514 9.0686 9.2370 9.2371 k = 0.5000 0.4896 0.4797 ( 7058 PWs) bands (ev): -13.2845 -13.2845 -12.9225 -12.9225 -12.7542 -12.7542 -12.7521 -12.7521 -12.4353 -12.4353 -12.4168 -12.4168 -5.0556 -5.0556 -5.0135 -5.0135 -5.0090 -5.0090 -4.2457 -4.2457 -0.2527 -0.2527 0.0955 0.0955 0.4916 0.4916 0.5343 0.5343 1.1757 1.1757 1.4670 1.4670 1.5092 1.5092 1.9172 1.9172 2.1012 2.1012 2.4059 2.4059 2.4930 2.4930 2.8480 2.8480 2.8706 2.8706 2.8845 2.8845 2.9534 2.9534 3.4740 3.4740 3.5167 3.5167 3.9316 3.9316 6.3268 6.3268 6.5769 6.5769 7.3957 7.3957 7.6649 7.6649 9.0598 9.0598 9.2374 9.2374 k = 0.5000-0.0105-0.0103 ( 7066 PWs) bands (ev): -13.4874 -13.4874 -13.3891 -13.3891 -12.6317 -12.6317 -12.3634 -12.3634 -12.2944 -12.2944 -12.2094 -12.2094 -6.0074 -6.0074 -5.4283 -5.4283 -4.1867 -4.1867 -3.5821 -3.5821 -0.3967 -0.3967 -0.1962 -0.1962 0.3192 0.3192 0.6990 0.6990 1.0475 1.0475 1.1804 1.1804 1.4090 1.4090 1.5864 1.5864 2.0011 2.0011 2.5265 2.5265 2.7681 2.7681 2.9162 2.9162 3.0099 3.0099 3.1161 3.1161 3.3340 3.3340 3.4204 3.4204 3.5396 3.5396 3.9639 3.9639 6.6296 6.6296 7.0507 7.0507 7.5329 7.5329 7.8311 7.8311 8.8306 8.8306 8.9823 8.9823 k = 0.5005 0.0024 0.0024 ( 7072 PWs) bands (ev): -13.4878 -13.4871 -13.3888 -13.3877 -12.6319 -12.6319 -12.3638 -12.3633 -12.2973 -12.2941 -12.2106 -12.2073 -6.0069 -6.0062 -5.4277 -5.4275 -4.1883 -4.1875 -3.5830 -3.5821 -0.3967 -0.3960 -0.2047 -0.1866 0.3151 0.3241 0.6808 0.7155 1.0423 1.0441 1.1697 1.1939 1.4101 1.4115 1.5734 1.6052 1.9998 2.0019 2.5258 2.5271 2.7644 2.7681 2.9148 2.9173 3.0081 3.0121 3.1122 3.1143 3.3307 3.3362 3.4175 3.4315 3.5387 3.5400 3.9626 3.9635 6.6163 6.6410 7.0469 7.0546 7.5347 7.5360 7.8248 7.8368 8.8246 8.8305 8.9714 8.9874 k = 0.5011 0.0153 0.0150 ( 7073 PWs) bands (ev): -13.4881 -13.4869 -13.3869 -13.3847 -12.6326 -12.6325 -12.3646 -12.3635 -12.3024 -12.2963 -12.2106 -12.2045 -6.0046 -6.0032 -5.4259 -5.4254 -4.1921 -4.1905 -3.5845 -3.5827 -0.3960 -0.3945 -0.2117 -0.1759 0.3119 0.3297 0.6609 0.7305 1.0303 1.0317 1.1636 1.2071 1.4159 1.4161 1.5679 1.6281 1.9979 2.0022 2.5250 2.5278 2.7572 2.7641 2.9132 2.9180 3.0070 3.0142 3.1038 3.1069 3.3275 3.3364 3.4237 3.4485 3.5372 3.5398 3.9596 3.9614 6.6015 6.6498 7.0441 7.0578 7.5409 7.5445 7.8180 7.8422 8.8127 8.8231 8.9562 8.9883 k = 0.5016 0.0282 0.0276 ( 7073 PWs) bands (ev): -13.4884 -13.4867 -13.3833 -13.3801 -12.6336 -12.6336 -12.3658 -12.3640 -12.3094 -12.3009 -12.2098 -12.2014 -6.0006 -5.9986 -5.4227 -5.4220 -4.1981 -4.1957 -3.5868 -3.5842 -0.3948 -0.3920 -0.2171 -0.1643 0.3096 0.3362 0.6392 0.7440 1.0078 1.0184 1.1613 1.2177 1.4215 1.4269 1.5708 1.6540 1.9955 2.0019 2.5240 2.5284 2.7469 2.7561 2.9114 2.9182 3.0065 3.0152 3.0928 3.0948 3.3253 3.3351 3.4374 3.4695 3.5352 3.5392 3.9549 3.9577 6.5858 6.6556 7.0435 7.0597 7.5502 7.5579 7.8109 7.8481 8.7951 8.8063 8.9408 8.9879 k = 0.5021 0.0411 0.0402 ( 7073 PWs) bands (ev): -13.4885 -13.4863 -13.3782 -13.3740 -12.6351 -12.6350 -12.3675 -12.3648 -12.3180 -12.3074 -12.2084 -12.1982 -5.9949 -5.9922 -5.4183 -5.4174 -4.2062 -4.2030 -3.5900 -3.5865 -0.3933 -0.3886 -0.2207 -0.1519 0.3082 0.3432 0.6157 0.7558 0.9798 1.0043 1.1608 1.2244 1.4276 1.4427 1.5820 1.6819 1.9927 2.0011 2.5228 2.5290 2.7339 2.7441 2.9093 2.9180 3.0061 3.0134 3.0799 3.0820 3.3239 3.3333 3.4562 3.4926 3.5327 3.5383 3.9486 3.9522 6.5694 6.6580 7.0459 7.0601 7.5613 7.5752 7.8043 7.8552 8.7723 8.7789 8.9292 8.9886 k = 0.5026 0.0540 0.0529 ( 7075 PWs) bands (ev): -13.4883 -13.4858 -13.3717 -13.3667 -12.6369 -12.6368 -12.3697 -12.3660 -12.3278 -12.3154 -12.2068 -12.1952 -5.9874 -5.9840 -5.4126 -5.4114 -4.2163 -4.2125 -3.5940 -3.5897 -0.3914 -0.3842 -0.2222 -0.1390 0.3077 0.3507 0.5906 0.7654 0.9497 0.9905 1.1607 1.2267 1.4352 1.4627 1.5998 1.7110 1.9895 1.9999 2.5212 2.5295 2.7185 2.7286 2.9067 2.9171 3.0043 3.0066 3.0653 3.0748 3.3232 3.3319 3.4777 3.5149 3.5302 3.5392 3.9407 3.9452 6.5526 6.6569 7.0516 7.0590 7.5730 7.5944 7.7997 7.8644 8.7420 8.7455 8.9226 8.9917 k = 0.5032 0.0668 0.0655 ( 7079 PWs) bands (ev): -13.4878 -13.4851 -13.3638 -13.3581 -12.6391 -12.6390 -12.3728 -12.3678 -12.3385 -12.3243 -12.2053 -12.1927 -5.9783 -5.9742 -5.4057 -5.4043 -4.2285 -4.2239 -3.5990 -3.5940 -0.3894 -0.3789 -0.2216 -0.1254 0.3080 0.3583 0.5643 0.7714 0.9206 0.9778 1.1604 1.2250 1.4450 1.4857 1.6224 1.7408 1.9863 1.9986 2.5190 2.5300 2.7011 2.7102 2.9032 2.9156 2.9940 2.9980 3.0550 3.0728 3.3230 3.3308 3.4986 3.5249 3.5296 3.5522 3.9314 3.9367 6.5356 6.6525 7.0562 7.0603 7.5841 7.6123 7.7997 7.8764 8.6988 8.7163 8.9200 8.9976 k = 0.5037 0.0797 0.0781 ( 7089 PWs) bands (ev): -13.4869 -13.4840 -13.3548 -13.3484 -12.6417 -12.6416 -12.3770 -12.3704 -12.3495 -12.3335 -12.2040 -12.1907 -5.9675 -5.9628 -5.3976 -5.3960 -4.2425 -4.2373 -3.6051 -3.5993 -0.3872 -0.3727 -0.2188 -0.1114 0.3090 0.3657 0.5375 0.7711 0.8965 0.9667 1.1600 1.2202 1.4570 1.5107 1.6479 1.7708 1.9831 1.9972 2.5159 2.5303 2.6820 2.6897 2.8984 2.9133 2.9770 2.9853 3.0521 3.0750 3.3231 3.3302 3.5092 3.5233 3.5394 3.5764 3.9206 3.9267 6.5186 6.6456 7.0517 7.0709 7.5940 7.6250 7.8079 7.8918 8.6518 8.6860 8.9203 9.0063 k = 0.5042 0.0926 0.0907 ( 7089 PWs) bands (ev): -13.4855 -13.4825 -13.3446 -13.3376 -12.6447 -12.6445 -12.3828 -12.3754 -12.3592 -12.3423 -12.2033 -12.1893 -5.9550 -5.9496 -5.3884 -5.3866 -4.2582 -4.2523 -3.6123 -3.6059 -0.3847 -0.3656 -0.2140 -0.0970 0.3109 0.3719 0.5115 0.7612 0.8819 0.9573 1.1595 1.2135 1.4710 1.5367 1.6751 1.8006 1.9801 1.9961 2.5115 2.5304 2.6618 2.6682 2.8914 2.9099 2.9580 2.9688 3.0550 3.0798 3.3232 3.3299 3.5075 3.5187 3.5613 3.6023 3.9084 3.9152 6.5019 6.6368 7.0454 7.0821 7.6027 7.6294 7.8272 7.9108 8.6031 8.6558 8.9227 9.0175 k = 0.5048 0.1055 0.1034 ( 7087 PWs) bands (ev): -13.4835 -13.4805 -13.3334 -13.3259 -12.6479 -12.6478 -12.3908 -12.3848 -12.3655 -12.3500 -12.2031 -12.1886 -5.9409 -5.9349 -5.3781 -5.3762 -4.2755 -4.2691 -3.6207 -3.6138 -0.3819 -0.3579 -0.2072 -0.0821 0.3133 0.3751 0.4884 0.7411 0.8779 0.9497 1.1593 1.2057 1.4863 1.5628 1.7030 1.8298 1.9778 1.9957 2.5051 2.5301 2.6410 2.6468 2.8813 2.9042 2.9394 2.9521 3.0614 3.0861 3.3234 3.3298 3.5017 3.5126 3.5861 3.6284 3.8951 3.9025 6.4855 6.6270 7.0369 7.0922 7.6107 7.6252 7.8573 7.9331 8.5544 8.6267 8.9269 9.0307 k = 0.5053 0.1184 0.1160 ( 7079 PWs) bands (ev): -13.4810 -13.4780 -13.3213 -13.3132 -12.6515 -12.6513 -12.4012 -12.3977 -12.3692 -12.3563 -12.2036 -12.1887 -5.9252 -5.9185 -5.3669 -5.3648 -4.2942 -4.2872 -3.6305 -3.6230 -0.3786 -0.3495 -0.1987 -0.0669 0.3164 0.3723 0.4718 0.7147 0.8815 0.9438 1.1594 1.1979 1.5021 1.5881 1.7308 1.8577 1.9764 1.9967 2.4958 2.5289 2.6203 2.6270 2.8670 2.8937 2.9245 2.9380 3.0695 3.0932 3.3236 3.3300 3.4943 3.5051 3.6113 3.6539 3.8807 3.8887 6.4696 6.6169 7.0263 7.0996 7.6144 7.6184 7.8961 7.9582 8.5069 8.5993 8.9325 9.0458 k = 0.5058 0.1313 0.1286 ( 7078 PWs) bands (ev): -13.4779 -13.4749 -13.3082 -13.2998 -12.6553 -12.6551 -12.4136 -12.4122 -12.3720 -12.3615 -12.2048 -12.1896 -5.9080 -5.9006 -5.3547 -5.3525 -4.3143 -4.3068 -3.6417 -3.6338 -0.3746 -0.3406 -0.1888 -0.0514 0.3198 0.3611 0.4646 0.6860 0.8893 0.9394 1.1600 1.1905 1.5178 1.6116 1.7578 1.8835 1.9765 2.0003 2.4829 2.5262 2.6007 2.6102 2.8484 2.8767 2.9151 2.9270 3.0786 3.1008 3.3238 3.3304 3.4855 3.4962 3.6361 3.6788 3.8654 3.8738 6.4543 6.6071 7.0133 7.1029 7.5992 7.6261 7.9409 7.9856 8.4620 8.5742 8.9395 9.0622 k = 0.5063 0.1441 0.1412 ( 7074 PWs) bands (ev): -13.4742 -13.4713 -13.2944 -13.2855 -12.6594 -12.6592 -12.4277 -12.4277 -12.3745 -12.3657 -12.2068 -12.1913 -5.8892 -5.8812 -5.3417 -5.3393 -4.3355 -4.3275 -3.6544 -3.6462 -0.3698 -0.3315 -0.1777 -0.0357 0.3236 0.3427 0.4659 0.6572 0.8995 0.9365 1.1612 1.1842 1.5329 1.6327 1.7833 1.9056 1.9789 2.0082 2.4661 2.5206 2.5839 2.5970 2.8268 2.8559 2.9091 2.9187 3.0881 3.1084 3.3241 3.3310 3.4754 3.4858 3.6601 3.7027 3.8493 3.8580 6.4396 6.5980 6.9980 7.1012 7.5811 7.6334 7.9896 8.0147 8.4211 8.5517 8.9476 9.0797 k = 0.5069 0.1570 0.1538 ( 7084 PWs) bands (ev): -13.4699 -13.4671 -13.2798 -13.2706 -12.6637 -12.6635 -12.4439 -12.4429 -12.3771 -12.3695 -12.2095 -12.1939 -5.8690 -5.8603 -5.3280 -5.3254 -4.3578 -4.3492 -3.6687 -3.6603 -0.3642 -0.3222 -0.1657 -0.0199 0.3212 0.3274 0.4722 0.6300 0.9109 0.9347 1.1632 1.1793 1.5468 1.6505 1.8064 1.9221 1.9843 2.0222 2.4460 2.5106 2.5716 2.5875 2.8034 2.8337 2.9042 2.9121 3.0974 3.1157 3.3245 3.3321 3.4640 3.4738 3.6830 3.7255 3.8327 3.8416 6.4255 6.5899 6.9805 7.0941 7.5611 7.6395 8.0404 8.0446 8.3859 8.5324 8.9567 9.0979 k = 0.5074 0.1699 0.1665 ( 7084 PWs) bands (ev): -13.4651 -13.4623 -13.2646 -13.2550 -12.6682 -12.6680 -12.4605 -12.4589 -12.3796 -12.3729 -12.2130 -12.1972 -5.8474 -5.8380 -5.3135 -5.3109 -4.3809 -4.3718 -3.6845 -3.6761 -0.3576 -0.3131 -0.1533 -0.0042 0.2995 0.3313 0.4811 0.6053 0.9233 0.9340 1.1661 1.1762 1.5594 1.6647 1.8260 1.9328 1.9938 2.0429 2.4236 2.4960 2.5644 2.5809 2.7793 2.8110 2.8997 2.9064 3.1063 3.1224 3.3252 3.3337 3.4513 3.4601 3.7046 3.7472 3.8157 3.8249 6.4119 6.5830 6.9611 7.0820 7.5399 7.6429 8.0738 8.0914 8.3588 8.5170 8.9667 9.1165 k = 0.5079 0.1828 0.1791 ( 7090 PWs) bands (ev): -13.4596 -13.4569 -13.2487 -13.2388 -12.6728 -12.6727 -12.4776 -12.4756 -12.3822 -12.3762 -12.2173 -12.2014 -5.8244 -5.8143 -5.2986 -5.2958 -4.4048 -4.3952 -3.7020 -3.6936 -0.3501 -0.3044 -0.1406 0.0111 0.2795 0.3348 0.4912 0.5838 0.9340 0.9363 1.1699 1.1752 1.5703 1.6749 1.8416 1.9390 2.0079 2.0688 2.4003 2.4785 2.5608 2.5764 2.7551 2.7884 2.8953 2.9013 3.1143 3.1283 3.3265 3.3358 3.4371 3.4446 3.7243 3.7672 3.7989 3.8085 6.3988 6.5774 6.9402 7.0652 7.5180 7.6420 8.0993 8.1399 8.3436 8.5068 8.9776 9.1353 k = 0.5085 0.1957 0.1917 ( 7091 PWs) bands (ev): -13.4535 -13.4509 -13.2322 -13.2220 -12.6776 -12.6774 -12.4950 -12.4928 -12.3849 -12.3794 -12.2224 -12.2064 -5.8000 -5.7893 -5.2831 -5.2803 -4.4293 -4.4192 -3.7211 -3.7129 -0.3417 -0.2963 -0.1281 0.0257 0.2625 0.3381 0.5017 0.5658 0.9347 0.9499 1.1747 1.1766 1.5793 1.6808 1.8529 1.9424 2.0265 2.0981 2.3770 2.4598 2.5590 2.5733 2.7314 2.7662 2.8909 2.8966 3.1210 3.1329 3.3285 3.3387 3.4216 3.4273 3.7404 3.7770 3.7910 3.7941 6.3861 6.5730 6.9180 7.0447 7.4960 7.6357 8.1165 8.1824 8.3449 8.5043 8.9890 9.1541 k = 0.5090 0.2086 0.2043 ( 7086 PWs) bands (ev): -13.4469 -13.4444 -13.2153 -13.2047 -12.6825 -12.6823 -12.5127 -12.5104 -12.3875 -12.3826 -12.2283 -12.2122 -5.7744 -5.7630 -5.2672 -5.2643 -4.4543 -4.4436 -3.7418 -3.7338 -0.3325 -0.2891 -0.1159 0.0392 0.2495 0.3410 0.5121 0.5517 0.9359 0.9638 1.1805 1.1806 1.5866 1.6827 1.8606 1.9441 2.0489 2.1292 2.3545 2.4411 2.5582 2.5711 2.7087 2.7446 2.8865 2.8921 3.1261 3.1359 3.3313 3.3423 3.4050 3.4082 3.7468 3.7619 3.7880 3.8068 6.3736 6.5697 6.8950 7.0212 7.4744 7.6237 8.1221 8.2142 8.3653 8.5127 9.0011 9.1728 k = 0.5095 0.2215 0.2170 ( 7091 PWs) bands (ev): -13.4398 -13.4373 -13.1979 -13.1871 -12.6874 -12.6872 -12.5306 -12.5282 -12.3902 -12.3857 -12.2349 -12.2188 -5.7476 -5.7355 -5.2512 -5.2482 -4.4796 -4.4683 -3.7641 -3.7564 -0.3227 -0.2829 -0.1043 0.0509 0.2414 0.3436 0.5222 0.5416 0.9376 0.9782 1.1871 1.1876 1.5920 1.6807 1.8656 1.9447 2.0736 2.1608 2.3334 2.4233 2.5578 2.5694 2.6872 2.7240 2.8822 2.8880 3.1294 3.1373 3.3352 3.3458 3.3874 3.3879 3.7384 3.7449 3.7955 3.8233 6.3612 6.5674 6.8715 6.9956 7.4537 7.6061 8.1173 8.2317 8.4025 8.5345 9.0136 9.1915 k = 0.5101 0.2343 0.2296 ( 7096 PWs) bands (ev): -13.4321 -13.4298 -13.1801 -13.1690 -12.6924 -12.6922 -12.5486 -12.5461 -12.3930 -12.3887 -12.2422 -12.2261 -5.7197 -5.7069 -5.2349 -5.2319 -4.5051 -4.4932 -3.7879 -3.7807 -0.3124 -0.2778 -0.0934 0.0607 0.2385 0.3462 0.5317 0.5350 0.9397 0.9930 1.1959 1.1963 1.5957 1.6751 1.8688 1.9447 2.0992 2.1915 2.3144 2.4068 2.5574 2.5681 2.6675 2.7046 2.8780 2.8841 3.1307 3.1367 3.3401 3.3458 3.3649 3.3740 3.7231 3.7280 3.8087 3.8387 6.3490 6.5656 6.8477 6.9686 7.4345 7.5839 8.1055 8.2344 8.4515 8.5686 9.0264 9.2101 k = 0.5106 0.2472 0.2422 ( 7092 PWs) bands (ev): -13.4240 -13.4217 -13.1620 -13.1507 -12.6974 -12.6972 -12.5665 -12.5642 -12.3957 -12.3917 -12.2503 -12.2342 -5.6907 -5.6771 -5.2186 -5.2155 -4.5308 -4.5181 -3.8131 -3.8064 -0.3020 -0.2740 -0.0833 0.0684 0.2410 0.3492 0.5317 0.5404 0.9423 1.0081 1.2054 1.2081 1.5980 1.6664 1.8709 1.9441 2.1242 2.2191 2.2991 2.3924 2.5567 2.5669 2.6500 2.6867 2.8739 2.8805 3.1300 3.1344 3.3339 3.3391 3.3479 3.3715 3.7060 3.7113 3.8226 3.8529 6.3368 6.5641 6.8239 6.9411 7.4171 7.5582 8.0892 8.2251 8.5078 8.6112 9.0397 9.2289 k = 0.5111 0.2601 0.2548 ( 7087 PWs) bands (ev): -13.4154 -13.4133 -13.1437 -13.1322 -12.7024 -12.7021 -12.5845 -12.5822 -12.3984 -12.3947 -12.2590 -12.2430 -5.6607 -5.6464 -5.2024 -5.1992 -4.5564 -4.5430 -3.8396 -3.8335 -0.2916 -0.2714 -0.0739 0.0744 0.2482 0.3528 0.5311 0.5484 0.9456 1.0237 1.2161 1.2223 1.5988 1.6549 1.8724 1.9433 2.1468 2.2368 2.2937 2.3810 2.5557 2.5658 2.6350 2.6707 2.8701 2.8772 3.1274 3.1302 3.3134 3.3144 3.3540 3.3772 3.6885 3.6948 3.8359 3.8658 6.3248 6.5624 6.8003 6.9135 7.4021 7.5302 8.0698 8.2070 8.5685 8.6579 9.0533 9.2479 k = 0.5116 0.2730 0.2675 ( 7088 PWs) bands (ev): -13.4065 -13.4044 -13.1252 -13.1137 -12.7073 -12.7070 -12.6022 -12.6000 -12.4011 -12.3976 -12.2683 -12.2525 -5.6297 -5.6147 -5.1863 -5.1831 -4.5819 -4.5677 -3.8673 -3.8618 -0.2816 -0.2700 -0.0650 0.0792 0.2593 0.3574 0.5325 0.5553 0.9496 1.0397 1.2280 1.2388 1.5985 1.6414 1.8737 1.9422 2.1652 2.2358 2.3058 2.3738 2.5542 2.5651 2.6229 2.6568 2.8666 2.8744 3.1230 3.1243 3.2877 3.2899 3.3619 3.3854 3.6711 3.6788 3.8484 3.8774 6.3131 6.5600 6.7769 6.8867 7.3899 7.5012 8.0477 8.1826 8.6315 8.7054 9.0673 9.2673 k = 0.5122 0.2859 0.2801 ( 7086 PWs) bands (ev): -13.3972 -13.3952 -13.1068 -13.0951 -12.7121 -12.7118 -12.6197 -12.6176 -12.4037 -12.4005 -12.2782 -12.2625 -5.5980 -5.5822 -5.1705 -5.1673 -4.6072 -4.5922 -3.8960 -3.8912 -0.2723 -0.2694 -0.0564 0.0833 0.2732 0.3630 0.5353 0.5612 0.9546 1.0562 1.2412 1.2570 1.5973 1.6261 1.8751 1.9410 2.1774 2.2241 2.3266 2.3719 2.5521 2.5650 2.6139 2.6454 2.8635 2.8719 3.1169 3.1170 3.2601 3.2647 3.3705 3.3946 3.6540 3.6631 3.8598 3.8878 6.3017 6.5562 6.7538 6.8611 7.3806 7.4720 8.0234 8.1535 8.6949 8.7514 9.0819 9.2869 k = 0.5127 0.2988 0.2927 ( 7094 PWs) bands (ev): -13.3876 -13.3857 -13.0884 -13.0766 -12.7168 -12.7165 -12.6368 -12.6347 -12.4062 -12.4032 -12.2887 -12.2732 -5.5656 -5.5489 -5.1550 -5.1518 -4.6323 -4.6164 -3.9256 -3.9215 -0.2695 -0.2640 -0.0479 0.0872 0.2890 0.3698 0.5390 0.5661 0.9608 1.0731 1.2555 1.2768 1.5952 1.6096 1.8769 1.9398 2.1823 2.2096 2.3473 2.3757 2.5496 2.5656 2.6083 2.6367 2.8608 2.8699 3.1083 3.1094 3.2319 3.2386 3.3795 3.4043 3.6374 3.6478 3.8702 3.8968 6.2910 6.5506 6.7311 6.8373 7.3745 7.4437 7.9971 8.1208 8.7574 8.7943 9.0971 9.3066 k = 0.5132 0.3117 0.3053 ( 7086 PWs) bands (ev): -13.3779 -13.3760 -13.0702 -13.0585 -12.7213 -12.7210 -12.6533 -12.6513 -12.4087 -12.4059 -12.2996 -12.2843 -5.5326 -5.5150 -5.1401 -5.1368 -4.6571 -4.6402 -3.9557 -3.9523 -0.2701 -0.2569 -0.0391 0.0911 0.3059 0.3775 0.5432 0.5699 0.9682 1.0904 1.2708 1.2976 1.5924 1.5925 1.8793 1.9385 2.1803 2.1944 2.3651 2.3841 2.5471 2.5665 2.6069 2.6306 2.8587 2.8684 3.0985 3.1005 3.2036 3.2119 3.3889 3.4140 3.6213 3.6328 3.8796 3.9047 6.2812 6.5427 6.7090 6.8155 7.3715 7.4171 7.9693 8.0851 8.8176 8.8332 9.1131 9.3233 k = 0.5138 0.3245 0.3180 ( 7094 PWs) bands (ev): -13.3680 -13.3662 -13.0524 -13.0407 -12.7257 -12.7254 -12.6691 -12.6672 -12.4111 -12.4085 -12.3108 -12.2959 -5.4990 -5.4806 -5.1257 -5.1224 -4.6815 -4.6636 -3.9861 -3.9835 -0.2709 -0.2511 -0.0300 0.0950 0.3233 0.3860 0.5475 0.5726 0.9770 1.1081 1.2870 1.3190 1.5752 1.5892 1.8826 1.9372 2.1729 2.1791 2.3791 2.3948 2.5448 2.5664 2.6109 2.6276 2.8571 2.8674 3.0876 3.0905 3.1754 3.1849 3.3984 3.4237 3.6058 3.6183 3.8879 3.9115 6.2726 6.5321 6.6876 6.7960 7.3716 7.3929 7.9403 8.0472 8.8678 8.8740 9.1298 9.3020 k = 0.5143 0.3374 0.3306 ( 7092 PWs) bands (ev): -13.3580 -13.3563 -13.0352 -13.0236 -12.7300 -12.7296 -12.6840 -12.6822 -12.4134 -12.4110 -12.3224 -12.3079 -5.4651 -5.4458 -5.1120 -5.1086 -4.7055 -4.6866 -4.0166 -4.0148 -0.2717 -0.2467 -0.0204 0.0988 0.3409 0.3950 0.5515 0.5743 0.9871 1.1259 1.3038 1.3405 1.5581 1.5856 1.8867 1.9358 2.1618 2.1644 2.3892 2.4051 2.5430 2.5642 2.6207 2.6278 2.8561 2.8668 3.0759 3.0794 3.1479 3.1580 3.4079 3.4329 3.5912 3.6042 3.8952 3.9171 6.2655 6.5189 6.6670 6.7784 7.3716 7.3745 7.9106 8.0075 8.8980 8.9253 9.1466 9.2855 k = 0.5148 0.3503 0.3432 ( 7090 PWs) bands (ev): -13.3481 -13.3465 -13.0187 -13.0073 -12.7341 -12.7337 -12.6978 -12.6960 -12.4155 -12.4134 -12.3341 -12.3201 -5.4310 -5.4106 -5.0991 -5.0957 -4.7292 -4.7092 -4.0468 -4.0458 -0.2724 -0.2435 -0.0103 0.1024 0.3582 0.4044 0.5550 0.5749 0.9986 1.1436 1.3212 1.3616 1.5419 1.5818 1.8919 1.9341 2.1485 2.1506 2.3960 2.4134 2.5412 2.5601 2.6319 2.6353 2.8558 2.8666 3.0633 3.0673 3.1213 3.1316 3.4172 3.4416 3.5774 3.5907 3.9015 3.9217 6.2601 6.5034 6.6475 6.7625 7.3537 7.3800 7.8806 7.9666 8.9239 8.9705 9.1612 9.2765 k = 0.5153 0.3632 0.3558 ( 7079 PWs) bands (ev): -13.3384 -13.3369 -13.0031 -12.9922 -12.7379 -12.7376 -12.7102 -12.7084 -12.4176 -12.4157 -12.3458 -12.3324 -5.3967 -5.3754 -5.0871 -5.0835 -4.7525 -4.7315 -4.0765 -4.0761 -0.2728 -0.2414 0.0001 0.1056 0.3751 0.4139 0.5578 0.5745 1.0114 1.1608 1.3387 1.3818 1.5269 1.5779 1.8980 1.9321 2.1343 2.1381 2.4003 2.4187 2.5389 2.5545 2.6402 2.6531 2.8561 2.8669 3.0500 3.0544 3.0962 3.1060 3.4263 3.4495 3.5647 3.5777 3.9070 3.9254 6.2567 6.4859 6.6293 6.7475 7.3396 7.3876 7.8510 7.9250 8.9459 9.0090 9.1698 9.2793 k = 0.5159 0.3761 0.3684 ( 7091 PWs) bands (ev): -13.3290 -13.3275 -12.9888 -12.9783 -12.7417 -12.7413 -12.7209 -12.7191 -12.4195 -12.4179 -12.3574 -12.3448 -5.3626 -5.3402 -5.0761 -5.0723 -4.7756 -4.7536 -4.1053 -4.1051 -0.2728 -0.2403 0.0107 0.1084 0.3913 0.4234 0.5599 0.5732 1.0252 1.1771 1.3561 1.4006 1.5136 1.5739 1.9048 1.9294 2.1202 2.1273 2.4027 2.4211 2.5354 2.5478 2.6527 2.6727 2.8571 2.8674 3.0360 3.0407 3.0729 3.0818 3.4350 3.4565 3.5533 3.5654 3.9116 3.9283 6.2553 6.4671 6.6127 6.7329 7.3296 7.3970 7.8222 7.8833 8.9645 9.0407 9.1704 9.2949 k = 0.5164 0.3890 0.3811 ( 7093 PWs) bands (ev): -13.3200 -13.3187 -12.9759 -12.9661 -12.7453 -12.7449 -12.7297 -12.7279 -12.4213 -12.4200 -12.3687 -12.3569 -5.3287 -5.3051 -5.0660 -5.0620 -4.7985 -4.7755 -4.1331 -4.1323 -0.2724 -0.2400 0.0213 0.1106 0.4068 0.4327 0.5609 0.5711 1.0398 1.1917 1.3731 1.4174 1.5026 1.5700 1.9120 1.9262 2.1071 2.1187 2.4039 2.4210 2.5305 2.5401 2.6685 2.6932 2.8586 2.8681 3.0214 3.0262 3.0516 3.0590 3.4431 3.4624 3.5433 3.5540 3.9155 3.9304 6.2563 6.4476 6.5979 6.7181 7.3237 7.4075 7.7946 7.8420 8.9801 9.0663 9.1664 9.3194 k = 0.5169 0.4019 0.3937 ( 7089 PWs) bands (ev): -13.3116 -13.3104 -12.9647 -12.9557 -12.7486 -12.7483 -12.7364 -12.7346 -12.4230 -12.4220 -12.3794 -12.3687 -5.2952 -5.2705 -5.0571 -5.0528 -4.8215 -4.7976 -4.1588 -4.1576 -0.2715 -0.2403 0.0317 0.1122 0.4213 0.4417 0.5610 0.5681 1.0551 1.2040 1.3894 1.4319 1.4943 1.5662 1.9187 1.9225 2.0962 2.1122 2.4042 2.4191 2.5245 2.5319 2.6868 2.7140 2.8605 2.8688 3.0067 3.0111 3.0322 3.0381 3.4507 3.4670 3.5351 3.5436 3.9187 3.9319 6.2595 6.4279 6.5852 6.7028 7.3219 7.4185 7.7687 7.8020 8.9934 9.0856 9.1623 9.3454 k = 0.5175 0.4147 0.4063 ( 7088 PWs) bands (ev): -13.3041 -13.3029 -12.9552 -12.9471 -12.7515 -12.7512 -12.7412 -12.7395 -12.4246 -12.4241 -12.3892 -12.3798 -5.2623 -5.2364 -5.0494 -5.0446 -4.8445 -4.8200 -4.1821 -4.1805 -0.2703 -0.2411 0.0416 0.1132 0.4349 0.4504 0.5601 0.5645 1.0707 1.2132 1.4047 1.4439 1.4889 1.5623 1.9185 1.9241 2.0885 2.1080 2.4038 2.4159 2.5180 2.5234 2.7064 2.7346 2.8629 2.8695 2.9922 2.9955 3.0144 3.0192 3.4573 3.4702 3.5287 3.5344 3.9214 3.9328 6.2650 6.4084 6.5747 6.6869 7.3238 7.4291 7.7448 7.7641 9.0046 9.0975 9.1625 9.3278 k = 0.5180 0.4276 0.4189 ( 7079 PWs) bands (ev): -13.2975 -13.2965 -12.9474 -12.9404 -12.7537 -12.7533 -12.7446 -12.7429 -12.4262 -12.4262 -12.3978 -12.3900 -5.2302 -5.2031 -5.0430 -5.0376 -4.8678 -4.8428 -4.2023 -4.2006 -0.2686 -0.2422 0.0511 0.1133 0.4474 0.4587 0.5581 0.5603 1.0863 1.2188 1.4189 1.4532 1.4865 1.5581 1.9146 1.9274 2.0849 2.1056 2.4030 2.4121 2.5114 2.5152 2.7268 2.7548 2.8655 2.8699 2.9782 2.9794 2.9982 3.0025 3.4630 3.4720 3.5242 3.5267 3.9236 3.9334 6.2728 6.3896 6.5667 6.6705 7.3291 7.4383 7.7234 7.7296 9.0143 9.1010 9.1697 9.3092 k = 0.5185 0.4405 0.4316 ( 7070 PWs) bands (ev): -13.2921 -13.2912 -12.9412 -12.9353 -12.7551 -12.7545 -12.7469 -12.7452 -12.4284 -12.4279 -12.4048 -12.3989 -5.1990 -5.1707 -5.0379 -5.0317 -4.8916 -4.8665 -4.2191 -4.2173 -0.2666 -0.2436 0.0599 0.1127 0.4586 0.4664 0.5552 0.5556 1.1017 1.2204 1.4318 1.4597 1.4866 1.5533 1.9113 1.9283 2.0853 2.1045 2.4020 2.4081 2.5053 2.5078 2.7474 2.7744 2.8682 2.8699 2.9628 2.9644 2.9837 2.9881 3.4675 3.4727 3.5208 3.5214 3.9254 3.9336 6.2829 6.3717 6.5613 6.6537 7.3370 7.4445 7.7002 7.7049 9.0228 9.0983 9.1828 9.2904 k = 0.5190 0.4534 0.4442 ( 7064 PWs) bands (ev): -13.2881 -13.2873 -12.9361 -12.9314 -12.7559 -12.7548 -12.7484 -12.7468 -12.4307 -12.4298 -12.4100 -12.4060 -5.1690 -5.1394 -5.0344 -5.0270 -4.9159 -4.8912 -4.2318 -4.2302 -0.2643 -0.2450 0.0680 0.1113 0.4686 0.4735 0.5506 0.5513 1.1167 1.2182 1.4434 1.4637 1.4886 1.5475 1.9093 1.9271 2.0891 2.1038 2.4013 2.4048 2.5003 2.5017 2.7678 2.7934 2.8695 2.8710 2.9455 2.9502 2.9718 2.9763 3.4705 3.4729 3.5170 3.5199 3.9270 3.9336 6.2949 6.3549 6.5585 6.6371 7.3468 7.4459 7.6779 7.6898 9.0303 9.0926 9.1990 9.2718 k = 0.5196 0.4663 0.4568 ( 7059 PWs) bands (ev): -13.2856 -13.2850 -12.9318 -12.9282 -12.7562 -12.7548 -12.7494 -12.7482 -12.4327 -12.4318 -12.4134 -12.4111 -5.1404 -5.1094 -5.0327 -5.0233 -4.9407 -4.9171 -4.2403 -4.2389 -0.2617 -0.2466 0.0753 0.1091 0.4770 0.4799 0.5456 0.5466 1.1310 1.2124 1.4536 1.4653 1.4915 1.5404 1.9089 1.9249 2.0947 2.1026 2.4015 2.4028 2.4967 2.4974 2.7876 2.8116 2.8683 2.8737 2.9277 2.9348 2.9631 2.9672 3.4722 3.4730 3.5151 3.5190 3.9283 3.9334 6.3089 6.3394 6.5584 6.6211 7.3574 7.4409 7.6646 7.6788 9.0372 9.0855 9.2170 9.2536 k = 0.5201 0.4792 0.4694 ( 7060 PWs) bands (ev): -13.2847 -13.2843 -12.9279 -12.9253 -12.7562 -12.7546 -12.7500 -12.7496 -12.4338 -12.4338 -12.4153 -12.4141 -5.1135 -5.0807 -5.0333 -5.0206 -4.9656 -4.9444 -4.2441 -4.2431 -0.2589 -0.2481 0.0819 0.1060 0.4837 0.4852 0.5408 0.5415 1.1444 1.2037 1.4619 1.4648 1.4948 1.5315 1.9105 1.9228 2.1001 2.1002 2.4031 2.4032 2.4946 2.4950 2.8067 2.8290 2.8661 2.8762 2.9098 2.9183 2.9575 2.9606 3.4731 3.4735 3.5148 3.5185 3.9294 3.9330 6.3245 6.3252 6.5609 6.6061 7.3677 7.4294 7.6607 7.6726 9.0435 9.0779 9.2359 9.2361 Writing output data file Bi2O3.save init_run : 0.33s CPU 0.52s WALL ( 1 calls) electrons : 656.32s CPU 677.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 656.32s CPU 677.38s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.05s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 231 calls) cegterg : 635.84s CPU 655.66s WALL ( 890 calls) Called by sum_band: Called by *egterg: h_psi : 317.54s CPU 341.52s WALL ( 16980 calls) s_psi : 14.58s CPU 15.02s WALL ( 16980 calls) g_psi : 0.89s CPU 0.99s WALL ( 15859 calls) cdiaghg : 227.30s CPU 221.91s WALL ( 16090 calls) cegterg:over : 35.09s CPU 34.09s WALL ( 15859 calls) cegterg:upda : 17.13s CPU 21.88s WALL ( 15859 calls) cegterg:last : 13.39s CPU 14.22s WALL ( 1926 calls) Called by h_psi: h_psi:vloc : 287.61s CPU 306.24s WALL ( 16980 calls) h_psi:vnl : 29.55s CPU 34.58s WALL ( 16980 calls) add_vuspsi : 12.00s CPU 15.21s WALL ( 16980 calls) General routines calbec : 17.53s CPU 19.32s WALL ( 16980 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 284.47s CPU 293.11s WALL ( 1497352 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.19s WALL ( 462 calls) Parallel routines fft_scatter : 267.85s CPU 200.79s WALL ( 1497375 calls) PWSCF : 11m24.15s CPU 11m55.37s WALL This run was terminated on: 1:49:36 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=