Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:44:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HgO2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 18 5 1093 326 56 Max 41 19 6 1096 342 60 Sum 1447 653 203 39397 11993 2071 bravais-lattice index = 14 lattice parameter (alat) = 6.6668 a.u. unit-cell volume = 274.8841 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.666847 celldm(2)= 1.000000 celldm(3)= 0.997522 celldm(4)= 0.200501 celldm(5)= 0.200501 celldm(6)= -0.197250 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.197250 0.980353 0.000000 ) a(3) = ( 0.200004 0.244254 0.946249 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.201202 -0.263302 ) b(2) = ( 0.000000 1.020040 -0.263302 ) b(3) = ( 0.000000 0.000000 1.056804 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 467 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0069604 0.0085003 -0.0021942), wk = 0.0021413 k( 3) = ( 0.0139208 0.0170007 -0.0043884), wk = 0.0021413 k( 4) = ( 0.0208812 0.0255010 -0.0065825), wk = 0.0021413 k( 5) = ( 0.0278416 0.0340013 -0.0087767), wk = 0.0021413 k( 6) = ( 0.0348020 0.0425017 -0.0109709), wk = 0.0021413 k( 7) = ( 0.0417624 0.0510020 -0.0131651), wk = 0.0021413 k( 8) = ( 0.0487228 0.0595024 -0.0153593), wk = 0.0021413 k( 9) = ( 0.0556832 0.0680027 -0.0175534), wk = 0.0021413 k( 10) = ( 0.0626436 0.0765030 -0.0197476), wk = 0.0021413 k( 11) = ( 0.0696040 0.0850034 -0.0219418), wk = 0.0021413 k( 12) = ( 0.0765644 0.0935037 -0.0241360), wk = 0.0021413 k( 13) = ( 0.0835248 0.1020040 -0.0263302), wk = 0.0021413 k( 14) = ( 0.0904852 0.1105044 -0.0285243), wk = 0.0021413 k( 15) = ( 0.0974456 0.1190047 -0.0307185), wk = 0.0021413 k( 16) = ( 0.1044060 0.1275050 -0.0329127), wk = 0.0021413 k( 17) = ( 0.1113664 0.1360054 -0.0351069), wk = 0.0021413 k( 18) = ( 0.1183268 0.1445057 -0.0373011), wk = 0.0021413 k( 19) = ( 0.1252872 0.1530061 -0.0394953), wk = 0.0021413 k( 20) = ( 0.1322476 0.1615064 -0.0416894), wk = 0.0021413 k( 21) = ( 0.1392080 0.1700067 -0.0438836), wk = 0.0021413 k( 22) = ( 0.1461684 0.1785071 -0.0460778), wk = 0.0021413 k( 23) = ( 0.1531288 0.1870074 -0.0482720), wk = 0.0021413 k( 24) = ( 0.1600892 0.1955077 -0.0504662), wk = 0.0021413 k( 25) = ( 0.1670495 0.2040081 -0.0526603), wk = 0.0021413 k( 26) = ( 0.1740099 0.2125084 -0.0548545), wk = 0.0021413 k( 27) = ( 0.1809704 0.2210088 -0.0570487), wk = 0.0021413 k( 28) = ( 0.1879308 0.2295091 -0.0592429), wk = 0.0021413 k( 29) = ( 0.1948912 0.2380094 -0.0614371), wk = 0.0021413 k( 30) = ( 0.2018515 0.2465098 -0.0636312), wk = 0.0021413 k( 31) = ( 0.2088119 0.2550101 -0.0658254), wk = 0.0021413 k( 32) = ( 0.2157723 0.2635104 -0.0680196), wk = 0.0021413 k( 33) = ( 0.2227327 0.2720108 -0.0702138), wk = 0.0021413 k( 34) = ( 0.2296931 0.2805111 -0.0724080), wk = 0.0021413 k( 35) = ( 0.2366535 0.2890115 -0.0746021), wk = 0.0021413 k( 36) = ( 0.2436139 0.2975118 -0.0767963), wk = 0.0021413 k( 37) = ( 0.2505743 0.3060121 -0.0789905), wk = 0.0021413 k( 38) = ( 0.2575347 0.3145125 -0.0811847), wk = 0.0021413 k( 39) = ( 0.2644951 0.3230128 -0.0833789), wk = 0.0021413 k( 40) = ( 0.2714555 0.3315131 -0.0855730), wk = 0.0021413 k( 41) = ( 0.2784159 0.3400135 -0.0877672), wk = 0.0021413 k( 42) = ( 0.2853763 0.3485138 -0.0899614), wk = 0.0021413 k( 43) = ( 0.2923367 0.3570141 -0.0921556), wk = 0.0021413 k( 44) = ( 0.2992971 0.3655145 -0.0943498), wk = 0.0021413 k( 45) = ( 0.3062575 0.3740148 -0.0965439), wk = 0.0021413 k( 46) = ( 0.3132179 0.3825152 -0.0987381), wk = 0.0021413 k( 47) = ( 0.3201783 0.3910155 -0.1009323), wk = 0.0021413 k( 48) = ( 0.3271387 0.3995158 -0.1031265), wk = 0.0021413 k( 49) = ( 0.3340991 0.4080162 -0.1053207), wk = 0.0021413 k( 50) = ( 0.3410595 0.4165165 -0.1075149), wk = 0.0021413 k( 51) = ( 0.3480199 0.4250168 -0.1097090), wk = 0.0021413 k( 52) = ( 0.3549803 0.4335172 -0.1119032), wk = 0.0021413 k( 53) = ( 0.3619407 0.4420175 -0.1140974), wk = 0.0021413 k( 54) = ( 0.3689011 0.4505178 -0.1162916), wk = 0.0021413 k( 55) = ( 0.3758615 0.4590182 -0.1184858), wk = 0.0021413 k( 56) = ( 0.3828219 0.4675185 -0.1206799), wk = 0.0021413 k( 57) = ( 0.3897823 0.4760189 -0.1228741), wk = 0.0021413 k( 58) = ( 0.3967427 0.4845192 -0.1250683), wk = 0.0021413 k( 59) = ( 0.4037031 0.4930195 -0.1272625), wk = 0.0021413 k( 60) = ( 0.4106635 0.5015199 -0.1294567), wk = 0.0021413 k( 61) = ( 0.4176239 0.5100202 -0.1316508), wk = 0.0021413 k( 62) = ( 0.4176239 0.5100202 -0.1316508), wk = 0.0021413 k( 63) = ( 0.4198307 0.5127153 -0.1212100), wk = 0.0021413 k( 64) = ( 0.4220375 0.5154104 -0.1107692), wk = 0.0021413 k( 65) = ( 0.4242444 0.5181054 -0.1003284), wk = 0.0021413 k( 66) = ( 0.4264512 0.5208005 -0.0898875), wk = 0.0021413 k( 67) = ( 0.4286580 0.5234956 -0.0794467), wk = 0.0021413 k( 68) = ( 0.4308649 0.5261907 -0.0690059), wk = 0.0021413 k( 69) = ( 0.4330717 0.5288857 -0.0585651), wk = 0.0021413 k( 70) = ( 0.4352785 0.5315808 -0.0481243), wk = 0.0021413 k( 71) = ( 0.4374854 0.5342759 -0.0376834), wk = 0.0021413 k( 72) = ( 0.4396922 0.5369710 -0.0272426), wk = 0.0021413 k( 73) = ( 0.4418990 0.5396660 -0.0168018), wk = 0.0021413 k( 74) = ( 0.4441059 0.5423611 -0.0063610), wk = 0.0021413 k( 75) = ( 0.4463127 0.5450562 0.0040799), wk = 0.0021413 k( 76) = ( 0.4485195 0.5477513 0.0145207), wk = 0.0021413 k( 77) = ( 0.4507263 0.5504463 0.0249615), wk = 0.0021413 k( 78) = ( 0.4529332 0.5531414 0.0354023), wk = 0.0021413 k( 79) = ( 0.4551400 0.5558365 0.0458431), wk = 0.0021413 k( 80) = ( 0.4573468 0.5585316 0.0562840), wk = 0.0021413 k( 81) = ( 0.4595537 0.5612266 0.0667248), wk = 0.0021413 k( 82) = ( 0.4617605 0.5639217 0.0771656), wk = 0.0021413 k( 83) = ( 0.4639673 0.5666168 0.0876064), wk = 0.0021413 k( 84) = ( 0.4661742 0.5693119 0.0980473), wk = 0.0021413 k( 85) = ( 0.4683810 0.5720069 0.1084881), wk = 0.0021413 k( 86) = ( 0.4705878 0.5747020 0.1189289), wk = 0.0021413 k( 87) = ( 0.4727946 0.5773971 0.1293697), wk = 0.0021413 k( 88) = ( 0.4750015 0.5800922 0.1398105), wk = 0.0021413 k( 89) = ( 0.4772083 0.5827872 0.1502514), wk = 0.0021413 k( 90) = ( 0.4794151 0.5854823 0.1606922), wk = 0.0021413 k( 91) = ( 0.4816220 0.5881774 0.1711330), wk = 0.0021413 k( 92) = ( 0.4838288 0.5908725 0.1815738), wk = 0.0021413 k( 93) = ( 0.4860356 0.5935675 0.1920147), wk = 0.0021413 k( 94) = ( 0.4882424 0.5962626 0.2024555), wk = 0.0021413 k( 95) = ( 0.4904493 0.5989577 0.2128963), wk = 0.0021413 k( 96) = ( 0.4926561 0.6016528 0.2233371), wk = 0.0021413 k( 97) = ( 0.4948629 0.6043479 0.2337779), wk = 0.0021413 k( 98) = ( 0.4970698 0.6070429 0.2442188), wk = 0.0021413 k( 99) = ( 0.4992766 0.6097380 0.2546596), wk = 0.0021413 k( 100) = ( 0.5014834 0.6124331 0.2651004), wk = 0.0021413 k( 101) = ( 0.5014834 0.6124331 0.2651004), wk = 0.0021413 k( 102) = ( 0.4965505 0.6064088 0.2728446), wk = 0.0021413 k( 103) = ( 0.4916176 0.6003845 0.2805887), wk = 0.0021413 k( 104) = ( 0.4866847 0.5943602 0.2883329), wk = 0.0021413 k( 105) = ( 0.4817518 0.5883359 0.2960771), wk = 0.0021413 k( 106) = ( 0.4768189 0.5823116 0.3038212), wk = 0.0021413 k( 107) = ( 0.4718859 0.5762874 0.3115654), wk = 0.0021413 k( 108) = ( 0.4669530 0.5702631 0.3193096), wk = 0.0021413 k( 109) = ( 0.4620201 0.5642388 0.3270537), wk = 0.0021413 k( 110) = ( 0.4570872 0.5582145 0.3347979), wk = 0.0021413 k( 111) = ( 0.4521543 0.5521902 0.3425421), wk = 0.0021413 k( 112) = ( 0.4472214 0.5461659 0.3502862), wk = 0.0021413 k( 113) = ( 0.4422885 0.5401416 0.3580304), wk = 0.0021413 k( 114) = ( 0.4373555 0.5341173 0.3657746), wk = 0.0021413 k( 115) = ( 0.4324226 0.5280931 0.3735187), wk = 0.0021413 k( 116) = ( 0.4274897 0.5220688 0.3812629), wk = 0.0021413 k( 117) = ( 0.4225568 0.5160445 0.3890071), wk = 0.0021413 k( 118) = ( 0.4176239 0.5100202 0.3967512), wk = 0.0021413 k( 119) = ( 0.4126910 0.5039959 0.4044954), wk = 0.0021413 k( 120) = ( 0.4077581 0.4979716 0.4122396), wk = 0.0021413 k( 121) = ( 0.4028251 0.4919473 0.4199837), wk = 0.0021413 k( 122) = ( 0.3978922 0.4859231 0.4277279), wk = 0.0021413 k( 123) = ( 0.3929593 0.4798988 0.4354721), wk = 0.0021413 k( 124) = ( 0.3880264 0.4738745 0.4432162), wk = 0.0021413 k( 125) = ( 0.3830935 0.4678502 0.4509604), wk = 0.0021413 k( 126) = ( 0.3781606 0.4618259 0.4587046), wk = 0.0021413 k( 127) = ( 0.3732277 0.4558016 0.4664487), wk = 0.0021413 k( 128) = ( 0.3682947 0.4497773 0.4741929), wk = 0.0021413 k( 129) = ( 0.3633618 0.4437531 0.4819371), wk = 0.0021413 k( 130) = ( 0.3584289 0.4377288 0.4896812), wk = 0.0021413 k( 131) = ( 0.3534960 0.4317045 0.4974254), wk = 0.0021413 k( 132) = ( 0.3485631 0.4256802 0.5051696), wk = 0.0021413 k( 133) = ( 0.3436302 0.4196559 0.5129137), wk = 0.0021413 k( 134) = ( 0.3386973 0.4136316 0.5206579), wk = 0.0021413 k( 135) = ( 0.3337643 0.4076073 0.5284021), wk = 0.0021413 k( 136) = ( 0.3337643 0.4076073 0.5284021), wk = 0.0021413 k( 137) = ( 0.3266630 0.3989348 0.5284021), wk = 0.0021413 k( 138) = ( 0.3195616 0.3902623 0.5284021), wk = 0.0021413 k( 139) = ( 0.3124602 0.3815898 0.5284021), wk = 0.0021413 k( 140) = ( 0.3053589 0.3729174 0.5284021), wk = 0.0021413 k( 141) = ( 0.2982575 0.3642449 0.5284021), wk = 0.0021413 k( 142) = ( 0.2911561 0.3555724 0.5284021), wk = 0.0021413 k( 143) = ( 0.2840548 0.3468999 0.5284021), wk = 0.0021413 k( 144) = ( 0.2769534 0.3382274 0.5284021), wk = 0.0021413 k( 145) = ( 0.2698520 0.3295549 0.5284021), wk = 0.0021413 k( 146) = ( 0.2627507 0.3208824 0.5284021), wk = 0.0021413 k( 147) = ( 0.2556493 0.3122099 0.5284021), wk = 0.0021413 k( 148) = ( 0.2485479 0.3035374 0.5284021), wk = 0.0021413 k( 149) = ( 0.2414466 0.2948649 0.5284021), wk = 0.0021413 k( 150) = ( 0.2343452 0.2861924 0.5284021), wk = 0.0021413 k( 151) = ( 0.2272438 0.2775199 0.5284021), wk = 0.0021413 k( 152) = ( 0.2201424 0.2688474 0.5284021), wk = 0.0021413 k( 153) = ( 0.2130411 0.2601749 0.5284021), wk = 0.0021413 k( 154) = ( 0.2059397 0.2515024 0.5284021), wk = 0.0021413 k( 155) = ( 0.1988383 0.2428299 0.5284021), wk = 0.0021413 k( 156) = ( 0.1917370 0.2341574 0.5284021), wk = 0.0021413 k( 157) = ( 0.1846356 0.2254849 0.5284021), wk = 0.0021413 k( 158) = ( 0.1775342 0.2168124 0.5284021), wk = 0.0021413 k( 159) = ( 0.1704329 0.2081399 0.5284021), wk = 0.0021413 k( 160) = ( 0.1633315 0.1994674 0.5284021), wk = 0.0021413 k( 161) = ( 0.1562301 0.1907949 0.5284021), wk = 0.0021413 k( 162) = ( 0.1491288 0.1821224 0.5284021), wk = 0.0021413 k( 163) = ( 0.1420274 0.1734499 0.5284021), wk = 0.0021413 k( 164) = ( 0.1349260 0.1647774 0.5284021), wk = 0.0021413 k( 165) = ( 0.1278246 0.1561049 0.5284021), wk = 0.0021413 k( 166) = ( 0.1207233 0.1474324 0.5284021), wk = 0.0021413 k( 167) = ( 0.1136219 0.1387599 0.5284021), wk = 0.0021413 k( 168) = ( 0.1065205 0.1300875 0.5284021), wk = 0.0021413 k( 169) = ( 0.0994192 0.1214150 0.5284021), wk = 0.0021413 k( 170) = ( 0.0923178 0.1127425 0.5284021), wk = 0.0021413 k( 171) = ( 0.0852164 0.1040700 0.5284021), wk = 0.0021413 k( 172) = ( 0.0781151 0.0953975 0.5284021), wk = 0.0021413 k( 173) = ( 0.0710137 0.0867250 0.5284021), wk = 0.0021413 k( 174) = ( 0.0639123 0.0780525 0.5284021), wk = 0.0021413 k( 175) = ( 0.0568109 0.0693800 0.5284021), wk = 0.0021413 k( 176) = ( 0.0497096 0.0607075 0.5284021), wk = 0.0021413 k( 177) = ( 0.0426082 0.0520350 0.5284021), wk = 0.0021413 k( 178) = ( 0.0355068 0.0433625 0.5284021), wk = 0.0021413 k( 179) = ( 0.0284055 0.0346900 0.5284021), wk = 0.0021413 k( 180) = ( 0.0213041 0.0260175 0.5284021), wk = 0.0021413 k( 181) = ( 0.0142027 0.0173450 0.5284021), wk = 0.0021413 k( 182) = ( 0.0071014 0.0086725 0.5284021), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.5284021), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.5284021), wk = 0.0021413 k( 185) = ( 0.0086207 -0.0070589 0.5284021), wk = 0.0021413 k( 186) = ( 0.0172414 -0.0141179 0.5284021), wk = 0.0021413 k( 187) = ( 0.0258621 -0.0211768 0.5284021), wk = 0.0021413 k( 188) = ( 0.0344828 -0.0282358 0.5284021), wk = 0.0021413 k( 189) = ( 0.0431035 -0.0352947 0.5284021), wk = 0.0021413 k( 190) = ( 0.0517241 -0.0423537 0.5284021), wk = 0.0021413 k( 191) = ( 0.0603448 -0.0494126 0.5284021), wk = 0.0021413 k( 192) = ( 0.0689655 -0.0564716 0.5284021), wk = 0.0021413 k( 193) = ( 0.0775862 -0.0635305 0.5284021), wk = 0.0021413 k( 194) = ( 0.0862069 -0.0705895 0.5284021), wk = 0.0021413 k( 195) = ( 0.0948276 -0.0776484 0.5284021), wk = 0.0021413 k( 196) = ( 0.1034483 -0.0847074 0.5284021), wk = 0.0021413 k( 197) = ( 0.1120690 -0.0917663 0.5284021), wk = 0.0021413 k( 198) = ( 0.1206897 -0.0988253 0.5284021), wk = 0.0021413 k( 199) = ( 0.1293103 -0.1058842 0.5284021), wk = 0.0021413 k( 200) = ( 0.1379310 -0.1129432 0.5284021), wk = 0.0021413 k( 201) = ( 0.1465517 -0.1200021 0.5284021), wk = 0.0021413 k( 202) = ( 0.1551724 -0.1270611 0.5284021), wk = 0.0021413 k( 203) = ( 0.1637931 -0.1341200 0.5284021), wk = 0.0021413 k( 204) = ( 0.1724138 -0.1411790 0.5284021), wk = 0.0021413 k( 205) = ( 0.1810345 -0.1482379 0.5284021), wk = 0.0021413 k( 206) = ( 0.1896552 -0.1552968 0.5284021), wk = 0.0021413 k( 207) = ( 0.1982759 -0.1623558 0.5284021), wk = 0.0021413 k( 208) = ( 0.2068966 -0.1694147 0.5284021), wk = 0.0021413 k( 209) = ( 0.2155172 -0.1764737 0.5284021), wk = 0.0021413 k( 210) = ( 0.2241379 -0.1835326 0.5284021), wk = 0.0021413 k( 211) = ( 0.2327586 -0.1905916 0.5284021), wk = 0.0021413 k( 212) = ( 0.2413793 -0.1976505 0.5284021), wk = 0.0021413 k( 213) = ( 0.2500000 -0.2047095 0.5284021), wk = 0.0021413 k( 214) = ( 0.2586207 -0.2117684 0.5284021), wk = 0.0021413 k( 215) = ( 0.2672414 -0.2188274 0.5284021), wk = 0.0021413 k( 216) = ( 0.2758621 -0.2258863 0.5284021), wk = 0.0021413 k( 217) = ( 0.2844828 -0.2329453 0.5284021), wk = 0.0021413 k( 218) = ( 0.2931034 -0.2400042 0.5284021), wk = 0.0021413 k( 219) = ( 0.3017241 -0.2470632 0.5284021), wk = 0.0021413 k( 220) = ( 0.3103448 -0.2541221 0.5284021), wk = 0.0021413 k( 221) = ( 0.3189655 -0.2611811 0.5284021), wk = 0.0021413 k( 222) = ( 0.3275862 -0.2682400 0.5284021), wk = 0.0021413 k( 223) = ( 0.3362069 -0.2752990 0.5284021), wk = 0.0021413 k( 224) = ( 0.3448276 -0.2823579 0.5284021), wk = 0.0021413 k( 225) = ( 0.3534483 -0.2894169 0.5284021), wk = 0.0021413 k( 226) = ( 0.3620690 -0.2964758 0.5284021), wk = 0.0021413 k( 227) = ( 0.3706897 -0.3035348 0.5284021), wk = 0.0021413 k( 228) = ( 0.3793103 -0.3105937 0.5284021), wk = 0.0021413 k( 229) = ( 0.3879310 -0.3176526 0.5284021), wk = 0.0021413 k( 230) = ( 0.3965517 -0.3247116 0.5284021), wk = 0.0021413 k( 231) = ( 0.4051724 -0.3317705 0.5284021), wk = 0.0021413 k( 232) = ( 0.4137931 -0.3388295 0.5284021), wk = 0.0021413 k( 233) = ( 0.4224138 -0.3458884 0.5284021), wk = 0.0021413 k( 234) = ( 0.4310345 -0.3529474 0.5284021), wk = 0.0021413 k( 235) = ( 0.4396552 -0.3600063 0.5284021), wk = 0.0021413 k( 236) = ( 0.4482759 -0.3670653 0.5284021), wk = 0.0021413 k( 237) = ( 0.4568966 -0.3741242 0.5284021), wk = 0.0021413 k( 238) = ( 0.4655172 -0.3811832 0.5284021), wk = 0.0021413 k( 239) = ( 0.4741379 -0.3882421 0.5284021), wk = 0.0021413 k( 240) = ( 0.4827586 -0.3953011 0.5284021), wk = 0.0021413 k( 241) = ( 0.4913793 -0.4023600 0.5284021), wk = 0.0021413 k( 242) = ( 0.5000000 -0.4094190 0.5284021), wk = 0.0021413 k( 243) = ( 0.5000000 -0.4094190 0.5284021), wk = 0.0021413 k( 244) = ( 0.4985166 -0.4112306 0.5284021), wk = 0.0021413 k( 245) = ( 0.6662356 -0.2064049 0.2651004), wk = 0.0021413 k( 246) = ( 0.6640288 -0.2090999 0.2546596), wk = 0.0021413 k( 247) = ( 0.6618220 -0.2117950 0.2442188), wk = 0.0021413 k( 248) = ( 0.6596152 -0.2144901 0.2337779), wk = 0.0021413 k( 249) = ( 0.6574083 -0.2171852 0.2233371), wk = 0.0021413 k( 250) = ( 0.6552015 -0.2198802 0.2128963), wk = 0.0021413 k( 251) = ( 0.6529947 -0.2225753 0.2024555), wk = 0.0021413 k( 252) = ( 0.6507878 -0.2252704 0.1920147), wk = 0.0021413 k( 253) = ( 0.6485810 -0.2279655 0.1815738), wk = 0.0021413 k( 254) = ( 0.6463742 -0.2306605 0.1711330), wk = 0.0021413 k( 255) = ( 0.6441674 -0.2333556 0.1606922), wk = 0.0021413 k( 256) = ( 0.6419605 -0.2360507 0.1502514), wk = 0.0021413 k( 257) = ( 0.6397537 -0.2387458 0.1398105), wk = 0.0021413 k( 258) = ( 0.6375469 -0.2414408 0.1293697), wk = 0.0021413 k( 259) = ( 0.6353400 -0.2441359 0.1189289), wk = 0.0021413 k( 260) = ( 0.6331332 -0.2468310 0.1084881), wk = 0.0021413 k( 261) = ( 0.6309264 -0.2495261 0.0980473), wk = 0.0021413 k( 262) = ( 0.6287195 -0.2522211 0.0876064), wk = 0.0021413 k( 263) = ( 0.6265127 -0.2549162 0.0771656), wk = 0.0021413 k( 264) = ( 0.6243059 -0.2576113 0.0667248), wk = 0.0021413 k( 265) = ( 0.6220990 -0.2603064 0.0562840), wk = 0.0021413 k( 266) = ( 0.6198922 -0.2630014 0.0458431), wk = 0.0021413 k( 267) = ( 0.6176854 -0.2656965 0.0354023), wk = 0.0021413 k( 268) = ( 0.6154786 -0.2683916 0.0249615), wk = 0.0021413 k( 269) = ( 0.6132717 -0.2710867 0.0145207), wk = 0.0021413 k( 270) = ( 0.6110649 -0.2737817 0.0040799), wk = 0.0021413 k( 271) = ( 0.6088581 -0.2764768 -0.0063610), wk = 0.0021413 k( 272) = ( 0.6066512 -0.2791719 -0.0168018), wk = 0.0021413 k( 273) = ( 0.6044444 -0.2818670 -0.0272426), wk = 0.0021413 k( 274) = ( 0.6022376 -0.2845620 -0.0376834), wk = 0.0021413 k( 275) = ( 0.6000307 -0.2872571 -0.0481243), wk = 0.0021413 k( 276) = ( 0.5978239 -0.2899522 -0.0585651), wk = 0.0021413 k( 277) = ( 0.5956171 -0.2926473 -0.0690059), wk = 0.0021413 k( 278) = ( 0.5934103 -0.2953423 -0.0794467), wk = 0.0021413 k( 279) = ( 0.5912034 -0.2980374 -0.0898875), wk = 0.0021413 k( 280) = ( 0.5889966 -0.3007325 -0.1003284), wk = 0.0021413 k( 281) = ( 0.5867898 -0.3034276 -0.1107692), wk = 0.0021413 k( 282) = ( 0.5845829 -0.3061226 -0.1212100), wk = 0.0021413 k( 283) = ( 0.5823761 -0.3088177 -0.1316508), wk = 0.0021413 k( 284) = ( 0.5823761 -0.3088177 -0.1316508), wk = 0.0021413 k( 285) = ( 0.5775305 -0.3147354 -0.1239067), wk = 0.0021413 k( 286) = ( 0.5726848 -0.3206532 -0.1161625), wk = 0.0021413 k( 287) = ( 0.5678391 -0.3265709 -0.1084183), wk = 0.0021413 k( 288) = ( 0.5629935 -0.3324886 -0.1006742), wk = 0.0021413 k( 289) = ( 0.5581478 -0.3384063 -0.0929300), wk = 0.0021413 k( 290) = ( 0.5533022 -0.3443240 -0.0851858), wk = 0.0021413 k( 291) = ( 0.5484565 -0.3502418 -0.0774417), wk = 0.0021413 k( 292) = ( 0.5436109 -0.3561595 -0.0696975), wk = 0.0021413 k( 293) = ( 0.5387652 -0.3620772 -0.0619533), wk = 0.0021413 k( 294) = ( 0.5339196 -0.3679949 -0.0542092), wk = 0.0021413 k( 295) = ( 0.5290739 -0.3739126 -0.0464650), wk = 0.0021413 k( 296) = ( 0.5242283 -0.3798304 -0.0387208), wk = 0.0021413 k( 297) = ( 0.5193826 -0.3857481 -0.0309767), wk = 0.0021413 k( 298) = ( 0.5145370 -0.3916658 -0.0232325), wk = 0.0021413 k( 299) = ( 0.5096913 -0.3975835 -0.0154883), wk = 0.0021413 k( 300) = ( 0.5048457 -0.4035012 -0.0077442), wk = 0.0021413 k( 301) = ( 0.5000000 -0.4094190 0.0000000), wk = 0.0021413 k( 302) = ( 0.5000000 -0.4094190 0.0000000), wk = 0.0021413 k( 303) = ( 0.4913793 -0.4023600 -0.0000000), wk = 0.0021413 k( 304) = ( 0.4827586 -0.3953011 -0.0000000), wk = 0.0021413 k( 305) = ( 0.4741379 -0.3882421 -0.0000000), wk = 0.0021413 k( 306) = ( 0.4655172 -0.3811832 -0.0000000), wk = 0.0021413 k( 307) = ( 0.4568966 -0.3741242 -0.0000000), wk = 0.0021413 k( 308) = ( 0.4482759 -0.3670653 -0.0000000), wk = 0.0021413 k( 309) = ( 0.4396552 -0.3600063 -0.0000000), wk = 0.0021413 k( 310) = ( 0.4310345 -0.3529474 0.0000000), wk = 0.0021413 k( 311) = ( 0.4224138 -0.3458884 0.0000000), wk = 0.0021413 k( 312) = ( 0.4137931 -0.3388295 0.0000000), wk = 0.0021413 k( 313) = ( 0.4051724 -0.3317705 0.0000000), wk = 0.0021413 k( 314) = ( 0.3965517 -0.3247116 0.0000000), wk = 0.0021413 k( 315) = ( 0.3879310 -0.3176526 0.0000000), wk = 0.0021413 k( 316) = ( 0.3793103 -0.3105937 0.0000000), wk = 0.0021413 k( 317) = ( 0.3706897 -0.3035348 -0.0000000), wk = 0.0021413 k( 318) = ( 0.3620690 -0.2964758 -0.0000000), wk = 0.0021413 k( 319) = ( 0.3534483 -0.2894169 -0.0000000), wk = 0.0021413 k( 320) = ( 0.3448276 -0.2823579 -0.0000000), wk = 0.0021413 k( 321) = ( 0.3362069 -0.2752990 -0.0000000), wk = 0.0021413 k( 322) = ( 0.3275862 -0.2682400 -0.0000000), wk = 0.0021413 k( 323) = ( 0.3189655 -0.2611811 -0.0000000), wk = 0.0021413 k( 324) = ( 0.3103448 -0.2541221 0.0000000), wk = 0.0021413 k( 325) = ( 0.3017241 -0.2470632 0.0000000), wk = 0.0021413 k( 326) = ( 0.2931034 -0.2400042 0.0000000), wk = 0.0021413 k( 327) = ( 0.2844828 -0.2329453 0.0000000), wk = 0.0021413 k( 328) = ( 0.2758621 -0.2258863 0.0000000), wk = 0.0021413 k( 329) = ( 0.2672414 -0.2188274 0.0000000), wk = 0.0021413 k( 330) = ( 0.2586207 -0.2117684 0.0000000), wk = 0.0021413 k( 331) = ( 0.2500000 -0.2047095 0.0000000), wk = 0.0021413 k( 332) = ( 0.2413793 -0.1976505 -0.0000000), wk = 0.0021413 k( 333) = ( 0.2327586 -0.1905916 -0.0000000), wk = 0.0021413 k( 334) = ( 0.2241379 -0.1835326 -0.0000000), wk = 0.0021413 k( 335) = ( 0.2155172 -0.1764737 0.0000000), wk = 0.0021413 k( 336) = ( 0.2068966 -0.1694147 0.0000000), wk = 0.0021413 k( 337) = ( 0.1982759 -0.1623558 0.0000000), wk = 0.0021413 k( 338) = ( 0.1896552 -0.1552968 0.0000000), wk = 0.0021413 k( 339) = ( 0.1810345 -0.1482379 -0.0000000), wk = 0.0021413 k( 340) = ( 0.1724138 -0.1411790 -0.0000000), wk = 0.0021413 k( 341) = ( 0.1637931 -0.1341200 -0.0000000), wk = 0.0021413 k( 342) = ( 0.1551724 -0.1270611 0.0000000), wk = 0.0021413 k( 343) = ( 0.1465517 -0.1200021 0.0000000), wk = 0.0021413 k( 344) = ( 0.1379310 -0.1129432 0.0000000), wk = 0.0021413 k( 345) = ( 0.1293103 -0.1058842 0.0000000), wk = 0.0021413 k( 346) = ( 0.1206897 -0.0988253 -0.0000000), wk = 0.0021413 k( 347) = ( 0.1120690 -0.0917663 -0.0000000), wk = 0.0021413 k( 348) = ( 0.1034483 -0.0847074 0.0000000), wk = 0.0021413 k( 349) = ( 0.0948276 -0.0776484 0.0000000), wk = 0.0021413 k( 350) = ( 0.0862069 -0.0705895 -0.0000000), wk = 0.0021413 k( 351) = ( 0.0775862 -0.0635305 0.0000000), wk = 0.0021413 k( 352) = ( 0.0689655 -0.0564716 0.0000000), wk = 0.0021413 k( 353) = ( 0.0603448 -0.0494126 -0.0000000), wk = 0.0021413 k( 354) = ( 0.0517241 -0.0423537 0.0000000), wk = 0.0021413 k( 355) = ( 0.0431035 -0.0352947 -0.0000000), wk = 0.0021413 k( 356) = ( 0.0344828 -0.0282358 0.0000000), wk = 0.0021413 k( 357) = ( 0.0258621 -0.0211768 0.0000000), wk = 0.0021413 k( 358) = ( 0.0172414 -0.0141179 0.0000000), wk = 0.0021413 k( 359) = ( 0.0086207 -0.0070589 0.0000000), wk = 0.0021413 k( 360) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 361) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 362) = ( 0.0106383 0.0021405 -0.0028011), wk = 0.0021413 k( 363) = ( 0.0212766 0.0042809 -0.0056022), wk = 0.0021413 k( 364) = ( 0.0319149 0.0064214 -0.0084032), wk = 0.0021413 k( 365) = ( 0.0425532 0.0085618 -0.0112043), wk = 0.0021413 k( 366) = ( 0.0531915 0.0107023 -0.0140054), wk = 0.0021413 k( 367) = ( 0.0638298 0.0128427 -0.0168065), wk = 0.0021413 k( 368) = ( 0.0744681 0.0149832 -0.0196076), wk = 0.0021413 k( 369) = ( 0.0851064 0.0171236 -0.0224087), wk = 0.0021413 k( 370) = ( 0.0957447 0.0192641 -0.0252097), wk = 0.0021413 k( 371) = ( 0.1063830 0.0214045 -0.0280108), wk = 0.0021413 k( 372) = ( 0.1170213 0.0235450 -0.0308119), wk = 0.0021413 k( 373) = ( 0.1276596 0.0256854 -0.0336130), wk = 0.0021413 k( 374) = ( 0.1382979 0.0278259 -0.0364141), wk = 0.0021413 k( 375) = ( 0.1489362 0.0299663 -0.0392151), wk = 0.0021413 k( 376) = ( 0.1595745 0.0321068 -0.0420162), wk = 0.0021413 k( 377) = ( 0.1702128 0.0342472 -0.0448173), wk = 0.0021413 k( 378) = ( 0.1808511 0.0363877 -0.0476184), wk = 0.0021413 k( 379) = ( 0.1914894 0.0385281 -0.0504195), wk = 0.0021413 k( 380) = ( 0.2021277 0.0406686 -0.0532206), wk = 0.0021413 k( 381) = ( 0.2127660 0.0428090 -0.0560216), wk = 0.0021413 k( 382) = ( 0.2234043 0.0449495 -0.0588227), wk = 0.0021413 k( 383) = ( 0.2340425 0.0470899 -0.0616238), wk = 0.0021413 k( 384) = ( 0.2446809 0.0492304 -0.0644249), wk = 0.0021413 k( 385) = ( 0.2553191 0.0513708 -0.0672260), wk = 0.0021413 k( 386) = ( 0.2659574 0.0535113 -0.0700270), wk = 0.0021413 k( 387) = ( 0.2765957 0.0556518 -0.0728281), wk = 0.0021413 k( 388) = ( 0.2872340 0.0577922 -0.0756292), wk = 0.0021413 k( 389) = ( 0.2978723 0.0599327 -0.0784303), wk = 0.0021413 k( 390) = ( 0.3085106 0.0620731 -0.0812314), wk = 0.0021413 k( 391) = ( 0.3191489 0.0642136 -0.0840324), wk = 0.0021413 k( 392) = ( 0.3297872 0.0663540 -0.0868335), wk = 0.0021413 k( 393) = ( 0.3404255 0.0684945 -0.0896346), wk = 0.0021413 k( 394) = ( 0.3510638 0.0706349 -0.0924357), wk = 0.0021413 k( 395) = ( 0.3617021 0.0727754 -0.0952368), wk = 0.0021413 k( 396) = ( 0.3723404 0.0749158 -0.0980379), wk = 0.0021413 k( 397) = ( 0.3829787 0.0770563 -0.1008389), wk = 0.0021413 k( 398) = ( 0.3936170 0.0791967 -0.1036400), wk = 0.0021413 k( 399) = ( 0.4042553 0.0813372 -0.1064411), wk = 0.0021413 k( 400) = ( 0.4148936 0.0834776 -0.1092422), wk = 0.0021413 k( 401) = ( 0.4255319 0.0856181 -0.1120433), wk = 0.0021413 k( 402) = ( 0.4361702 0.0877585 -0.1148443), wk = 0.0021413 k( 403) = ( 0.4468085 0.0898990 -0.1176454), wk = 0.0021413 k( 404) = ( 0.4574468 0.0920394 -0.1204465), wk = 0.0021413 k( 405) = ( 0.4680851 0.0941799 -0.1232476), wk = 0.0021413 k( 406) = ( 0.4787234 0.0963203 -0.1260487), wk = 0.0021413 k( 407) = ( 0.4893617 0.0984608 -0.1288498), wk = 0.0021413 k( 408) = ( 0.5000000 0.1006012 -0.1316508), wk = 0.0021413 k( 409) = ( 0.5000000 0.1006012 0.3967512), wk = 0.0021413 k( 410) = ( 0.4913793 0.0988667 0.3899107), wk = 0.0021413 k( 411) = ( 0.4827586 0.0971322 0.3830702), wk = 0.0021413 k( 412) = ( 0.4741379 0.0953977 0.3762296), wk = 0.0021413 k( 413) = ( 0.4655172 0.0936632 0.3693891), wk = 0.0021413 k( 414) = ( 0.4568966 0.0919287 0.3625485), wk = 0.0021413 k( 415) = ( 0.4482759 0.0901942 0.3557080), wk = 0.0021413 k( 416) = ( 0.4396552 0.0884597 0.3488675), wk = 0.0021413 k( 417) = ( 0.4310345 0.0867252 0.3420269), wk = 0.0021413 k( 418) = ( 0.4224138 0.0849907 0.3351864), wk = 0.0021413 k( 419) = ( 0.4137931 0.0832562 0.3283459), wk = 0.0021413 k( 420) = ( 0.4051724 0.0815217 0.3215053), wk = 0.0021413 k( 421) = ( 0.3965517 0.0797872 0.3146648), wk = 0.0021413 k( 422) = ( 0.3879310 0.0780527 0.3078242), wk = 0.0021413 k( 423) = ( 0.3793103 0.0763182 0.3009837), wk = 0.0021413 k( 424) = ( 0.3706897 0.0745837 0.2941432), wk = 0.0021413 k( 425) = ( 0.3620690 0.0728492 0.2873026), wk = 0.0021413 k( 426) = ( 0.3534483 0.0711147 0.2804621), wk = 0.0021413 k( 427) = ( 0.3448276 0.0693802 0.2736215), wk = 0.0021413 k( 428) = ( 0.3362069 0.0676457 0.2667810), wk = 0.0021413 k( 429) = ( 0.3275862 0.0659112 0.2599405), wk = 0.0021413 k( 430) = ( 0.3189655 0.0641767 0.2530999), wk = 0.0021413 k( 431) = ( 0.3103448 0.0624422 0.2462594), wk = 0.0021413 k( 432) = ( 0.3017241 0.0607076 0.2394189), wk = 0.0021413 k( 433) = ( 0.2931034 0.0589731 0.2325783), wk = 0.0021413 k( 434) = ( 0.2844828 0.0572386 0.2257378), wk = 0.0021413 k( 435) = ( 0.2758621 0.0555041 0.2188972), wk = 0.0021413 k( 436) = ( 0.2672414 0.0537696 0.2120567), wk = 0.0021413 k( 437) = ( 0.2586207 0.0520351 0.2052162), wk = 0.0021413 k( 438) = ( 0.2500000 0.0503006 0.1983756), wk = 0.0021413 k( 439) = ( 0.2413793 0.0485661 0.1915351), wk = 0.0021413 k( 440) = ( 0.2327586 0.0468316 0.1846945), wk = 0.0021413 k( 441) = ( 0.2241379 0.0450971 0.1778540), wk = 0.0021413 k( 442) = ( 0.2155172 0.0433626 0.1710135), wk = 0.0021413 k( 443) = ( 0.2068966 0.0416281 0.1641729), wk = 0.0021413 k( 444) = ( 0.1982759 0.0398936 0.1573324), wk = 0.0021413 k( 445) = ( 0.1896552 0.0381591 0.1504918), wk = 0.0021413 k( 446) = ( 0.1810345 0.0364246 0.1436513), wk = 0.0021413 k( 447) = ( 0.1724138 0.0346901 0.1368108), wk = 0.0021413 k( 448) = ( 0.1637931 0.0329556 0.1299702), wk = 0.0021413 k( 449) = ( 0.1551724 0.0312211 0.1231297), wk = 0.0021413 k( 450) = ( 0.1465517 0.0294866 0.1162892), wk = 0.0021413 k( 451) = ( 0.1379310 0.0277521 0.1094486), wk = 0.0021413 k( 452) = ( 0.1293103 0.0260176 0.1026081), wk = 0.0021413 k( 453) = ( 0.1206897 0.0242831 0.0957675), wk = 0.0021413 k( 454) = ( 0.1120690 0.0225486 0.0889270), wk = 0.0021413 k( 455) = ( 0.1034483 0.0208141 0.0820865), wk = 0.0021413 k( 456) = ( 0.0948276 0.0190795 0.0752459), wk = 0.0021413 k( 457) = ( 0.0862069 0.0173450 0.0684054), wk = 0.0021413 k( 458) = ( 0.0775862 0.0156105 0.0615649), wk = 0.0021413 k( 459) = ( 0.0689655 0.0138760 0.0547243), wk = 0.0021413 k( 460) = ( 0.0603448 0.0121415 0.0478838), wk = 0.0021413 k( 461) = ( 0.0517241 0.0104070 0.0410432), wk = 0.0021413 k( 462) = ( 0.0431035 0.0086725 0.0342027), wk = 0.0021413 k( 463) = ( 0.0344828 0.0069380 0.0273622), wk = 0.0021413 k( 464) = ( 0.0258621 0.0052035 0.0205216), wk = 0.0021413 k( 465) = ( 0.0172414 0.0034690 0.0136811), wk = 0.0021413 k( 466) = ( 0.0086207 0.0017345 0.0068405), wk = 0.0021413 k( 467) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 2) = ( 0.0069604 0.0069604 0.0013921), wk = 0.0021413 k( 3) = ( 0.0139208 0.0139208 0.0027842), wk = 0.0021413 k( 4) = ( 0.0208812 0.0208812 0.0041763), wk = 0.0021413 k( 5) = ( 0.0278416 0.0278416 0.0055684), wk = 0.0021413 k( 6) = ( 0.0348020 0.0348020 0.0069606), wk = 0.0021413 k( 7) = ( 0.0417624 0.0417624 0.0083527), wk = 0.0021413 k( 8) = ( 0.0487228 0.0487228 0.0097448), wk = 0.0021413 k( 9) = ( 0.0556832 0.0556832 0.0111369), wk = 0.0021413 k( 10) = ( 0.0626436 0.0626436 0.0125290), wk = 0.0021413 k( 11) = ( 0.0696040 0.0696040 0.0139211), wk = 0.0021413 k( 12) = ( 0.0765644 0.0765644 0.0153132), wk = 0.0021413 k( 13) = ( 0.0835248 0.0835248 0.0167053), wk = 0.0021413 k( 14) = ( 0.0904852 0.0904852 0.0180974), wk = 0.0021413 k( 15) = ( 0.0974456 0.0974456 0.0194896), wk = 0.0021413 k( 16) = ( 0.1044060 0.1044060 0.0208817), wk = 0.0021413 k( 17) = ( 0.1113664 0.1113664 0.0222738), wk = 0.0021413 k( 18) = ( 0.1183268 0.1183268 0.0236659), wk = 0.0021413 k( 19) = ( 0.1252872 0.1252872 0.0250580), wk = 0.0021413 k( 20) = ( 0.1322476 0.1322476 0.0264501), wk = 0.0021413 k( 21) = ( 0.1392080 0.1392080 0.0278422), wk = 0.0021413 k( 22) = ( 0.1461684 0.1461684 0.0292343), wk = 0.0021413 k( 23) = ( 0.1531288 0.1531288 0.0306264), wk = 0.0021413 k( 24) = ( 0.1600892 0.1600892 0.0320185), wk = 0.0021413 k( 25) = ( 0.1670495 0.1670495 0.0334107), wk = 0.0021413 k( 26) = ( 0.1740099 0.1740099 0.0348028), wk = 0.0021413 k( 27) = ( 0.1809704 0.1809704 0.0361949), wk = 0.0021413 k( 28) = ( 0.1879308 0.1879308 0.0375870), wk = 0.0021413 k( 29) = ( 0.1948912 0.1948911 0.0389791), wk = 0.0021413 k( 30) = ( 0.2018515 0.2018515 0.0403712), wk = 0.0021413 k( 31) = ( 0.2088119 0.2088119 0.0417633), wk = 0.0021413 k( 32) = ( 0.2157723 0.2157723 0.0431554), wk = 0.0021413 k( 33) = ( 0.2227327 0.2227327 0.0445475), wk = 0.0021413 k( 34) = ( 0.2296931 0.2296931 0.0459396), wk = 0.0021413 k( 35) = ( 0.2366535 0.2366535 0.0473318), wk = 0.0021413 k( 36) = ( 0.2436139 0.2436139 0.0487239), wk = 0.0021413 k( 37) = ( 0.2505743 0.2505743 0.0501160), wk = 0.0021413 k( 38) = ( 0.2575347 0.2575347 0.0515081), wk = 0.0021413 k( 39) = ( 0.2644951 0.2644951 0.0529002), wk = 0.0021413 k( 40) = ( 0.2714555 0.2714555 0.0542923), wk = 0.0021413 k( 41) = ( 0.2784159 0.2784159 0.0556844), wk = 0.0021413 k( 42) = ( 0.2853763 0.2853763 0.0570765), wk = 0.0021413 k( 43) = ( 0.2923367 0.2923367 0.0584687), wk = 0.0021413 k( 44) = ( 0.2992971 0.2992971 0.0598608), wk = 0.0021413 k( 45) = ( 0.3062575 0.3062575 0.0612529), wk = 0.0021413 k( 46) = ( 0.3132179 0.3132179 0.0626450), wk = 0.0021413 k( 47) = ( 0.3201783 0.3201783 0.0640371), wk = 0.0021413 k( 48) = ( 0.3271387 0.3271387 0.0654292), wk = 0.0021413 k( 49) = ( 0.3340991 0.3340991 0.0668213), wk = 0.0021413 k( 50) = ( 0.3410595 0.3410595 0.0682134), wk = 0.0021413 k( 51) = ( 0.3480199 0.3480199 0.0696055), wk = 0.0021413 k( 52) = ( 0.3549803 0.3549803 0.0709976), wk = 0.0021413 k( 53) = ( 0.3619407 0.3619407 0.0723897), wk = 0.0021413 k( 54) = ( 0.3689011 0.3689011 0.0737819), wk = 0.0021413 k( 55) = ( 0.3758615 0.3758615 0.0751740), wk = 0.0021413 k( 56) = ( 0.3828219 0.3828219 0.0765661), wk = 0.0021413 k( 57) = ( 0.3897823 0.3897823 0.0779582), wk = 0.0021413 k( 58) = ( 0.3967427 0.3967427 0.0793503), wk = 0.0021413 k( 59) = ( 0.4037031 0.4037031 0.0807424), wk = 0.0021413 k( 60) = ( 0.4106635 0.4106635 0.0821345), wk = 0.0021413 k( 61) = ( 0.4176239 0.4176239 0.0835266), wk = 0.0021413 k( 62) = ( 0.4176239 0.4176239 0.0835266), wk = 0.0021413 k( 63) = ( 0.4198307 0.4198307 0.0945059), wk = 0.0021413 k( 64) = ( 0.4220375 0.4220375 0.1054852), wk = 0.0021413 k( 65) = ( 0.4242444 0.4242444 0.1164645), wk = 0.0021413 k( 66) = ( 0.4264512 0.4264512 0.1274437), wk = 0.0021413 k( 67) = ( 0.4286580 0.4286580 0.1384230), wk = 0.0021413 k( 68) = ( 0.4308649 0.4308649 0.1494023), wk = 0.0021413 k( 69) = ( 0.4330717 0.4330717 0.1603816), wk = 0.0021413 k( 70) = ( 0.4352785 0.4352785 0.1713609), wk = 0.0021413 k( 71) = ( 0.4374854 0.4374854 0.1823401), wk = 0.0021413 k( 72) = ( 0.4396922 0.4396922 0.1933194), wk = 0.0021413 k( 73) = ( 0.4418990 0.4418990 0.2042987), wk = 0.0021413 k( 74) = ( 0.4441059 0.4441058 0.2152780), wk = 0.0021413 k( 75) = ( 0.4463127 0.4463127 0.2262572), wk = 0.0021413 k( 76) = ( 0.4485195 0.4485195 0.2372365), wk = 0.0021413 k( 77) = ( 0.4507263 0.4507263 0.2482158), wk = 0.0021413 k( 78) = ( 0.4529332 0.4529332 0.2591951), wk = 0.0021413 k( 79) = ( 0.4551400 0.4551400 0.2701744), wk = 0.0021413 k( 80) = ( 0.4573468 0.4573468 0.2811536), wk = 0.0021413 k( 81) = ( 0.4595537 0.4595537 0.2921329), wk = 0.0021413 k( 82) = ( 0.4617605 0.4617605 0.3031122), wk = 0.0021413 k( 83) = ( 0.4639673 0.4639673 0.3140915), wk = 0.0021413 k( 84) = ( 0.4661742 0.4661741 0.3250708), wk = 0.0021413 k( 85) = ( 0.4683810 0.4683810 0.3360500), wk = 0.0021413 k( 86) = ( 0.4705878 0.4705878 0.3470293), wk = 0.0021413 k( 87) = ( 0.4727946 0.4727946 0.3580086), wk = 0.0021413 k( 88) = ( 0.4750015 0.4750015 0.3689879), wk = 0.0021413 k( 89) = ( 0.4772083 0.4772083 0.3799671), wk = 0.0021413 k( 90) = ( 0.4794151 0.4794151 0.3909464), wk = 0.0021413 k( 91) = ( 0.4816220 0.4816220 0.4019257), wk = 0.0021413 k( 92) = ( 0.4838288 0.4838288 0.4129050), wk = 0.0021413 k( 93) = ( 0.4860356 0.4860356 0.4238842), wk = 0.0021413 k( 94) = ( 0.4882424 0.4882424 0.4348635), wk = 0.0021413 k( 95) = ( 0.4904493 0.4904493 0.4458428), wk = 0.0021413 k( 96) = ( 0.4926561 0.4926561 0.4568221), wk = 0.0021413 k( 97) = ( 0.4948629 0.4948629 0.4678014), wk = 0.0021413 k( 98) = ( 0.4970698 0.4970698 0.4787806), wk = 0.0021413 k( 99) = ( 0.4992766 0.4992766 0.4897599), wk = 0.0021413 k( 100) = ( 0.5014834 0.5014834 0.5007392), wk = 0.0021413 k( 101) = ( 0.5014834 0.5014834 0.5007392), wk = 0.0021413 k( 102) = ( 0.4965505 0.4965505 0.5056090), wk = 0.0021413 k( 103) = ( 0.4916176 0.4916176 0.5104789), wk = 0.0021413 k( 104) = ( 0.4866847 0.4866847 0.5153487), wk = 0.0021413 k( 105) = ( 0.4817518 0.4817518 0.5202186), wk = 0.0021413 k( 106) = ( 0.4768189 0.4768189 0.5250884), wk = 0.0021413 k( 107) = ( 0.4718859 0.4718859 0.5299583), wk = 0.0021413 k( 108) = ( 0.4669530 0.4669530 0.5348281), wk = 0.0021413 k( 109) = ( 0.4620201 0.4620201 0.5396980), wk = 0.0021413 k( 110) = ( 0.4570872 0.4570872 0.5445678), wk = 0.0021413 k( 111) = ( 0.4521543 0.4521543 0.5494377), wk = 0.0021413 k( 112) = ( 0.4472214 0.4472214 0.5543075), wk = 0.0021413 k( 113) = ( 0.4422885 0.4422885 0.5591774), wk = 0.0021413 k( 114) = ( 0.4373555 0.4373555 0.5640472), wk = 0.0021413 k( 115) = ( 0.4324226 0.4324226 0.5689171), wk = 0.0021413 k( 116) = ( 0.4274897 0.4274897 0.5737869), wk = 0.0021413 k( 117) = ( 0.4225568 0.4225568 0.5786568), wk = 0.0021413 k( 118) = ( 0.4176239 0.4176239 0.5835266), wk = 0.0021413 k( 119) = ( 0.4126910 0.4126910 0.5883965), wk = 0.0021413 k( 120) = ( 0.4077581 0.4077581 0.5932663), wk = 0.0021413 k( 121) = ( 0.4028251 0.4028251 0.5981362), wk = 0.0021413 k( 122) = ( 0.3978922 0.3978922 0.6030060), wk = 0.0021413 k( 123) = ( 0.3929593 0.3929593 0.6078759), wk = 0.0021413 k( 124) = ( 0.3880264 0.3880264 0.6127457), wk = 0.0021413 k( 125) = ( 0.3830935 0.3830935 0.6176156), wk = 0.0021413 k( 126) = ( 0.3781606 0.3781606 0.6224854), wk = 0.0021413 k( 127) = ( 0.3732277 0.3732277 0.6273553), wk = 0.0021413 k( 128) = ( 0.3682947 0.3682947 0.6322251), wk = 0.0021413 k( 129) = ( 0.3633618 0.3633618 0.6370950), wk = 0.0021413 k( 130) = ( 0.3584289 0.3584289 0.6419648), wk = 0.0021413 k( 131) = ( 0.3534960 0.3534960 0.6468347), wk = 0.0021413 k( 132) = ( 0.3485631 0.3485631 0.6517045), wk = 0.0021413 k( 133) = ( 0.3436302 0.3436302 0.6565744), wk = 0.0021413 k( 134) = ( 0.3386973 0.3386973 0.6614442), wk = 0.0021413 k( 135) = ( 0.3337643 0.3337643 0.6663141), wk = 0.0021413 k( 136) = ( 0.3337643 0.3337643 0.6663141), wk = 0.0021413 k( 137) = ( 0.3266630 0.3266630 0.6627755), wk = 0.0021413 k( 138) = ( 0.3195616 0.3195616 0.6592369), wk = 0.0021413 k( 139) = ( 0.3124602 0.3124602 0.6556983), wk = 0.0021413 k( 140) = ( 0.3053589 0.3053589 0.6521597), wk = 0.0021413 k( 141) = ( 0.2982575 0.2982575 0.6486211), wk = 0.0021413 k( 142) = ( 0.2911561 0.2911561 0.6450825), wk = 0.0021413 k( 143) = ( 0.2840548 0.2840548 0.6415439), wk = 0.0021413 k( 144) = ( 0.2769534 0.2769534 0.6380053), wk = 0.0021413 k( 145) = ( 0.2698520 0.2698520 0.6344667), wk = 0.0021413 k( 146) = ( 0.2627507 0.2627507 0.6309281), wk = 0.0021413 k( 147) = ( 0.2556493 0.2556493 0.6273895), wk = 0.0021413 k( 148) = ( 0.2485479 0.2485479 0.6238509), wk = 0.0021413 k( 149) = ( 0.2414466 0.2414466 0.6203123), wk = 0.0021413 k( 150) = ( 0.2343452 0.2343452 0.6167737), wk = 0.0021413 k( 151) = ( 0.2272438 0.2272438 0.6132351), wk = 0.0021413 k( 152) = ( 0.2201424 0.2201424 0.6096965), wk = 0.0021413 k( 153) = ( 0.2130411 0.2130411 0.6061579), wk = 0.0021413 k( 154) = ( 0.2059397 0.2059397 0.6026193), wk = 0.0021413 k( 155) = ( 0.1988383 0.1988383 0.5990807), wk = 0.0021413 k( 156) = ( 0.1917370 0.1917370 0.5955421), wk = 0.0021413 k( 157) = ( 0.1846356 0.1846356 0.5920035), wk = 0.0021413 k( 158) = ( 0.1775342 0.1775342 0.5884649), wk = 0.0021413 k( 159) = ( 0.1704329 0.1704329 0.5849263), wk = 0.0021413 k( 160) = ( 0.1633315 0.1633315 0.5813877), wk = 0.0021413 k( 161) = ( 0.1562301 0.1562301 0.5778492), wk = 0.0021413 k( 162) = ( 0.1491288 0.1491287 0.5743105), wk = 0.0021413 k( 163) = ( 0.1420274 0.1420274 0.5707719), wk = 0.0021413 k( 164) = ( 0.1349260 0.1349260 0.5672333), wk = 0.0021413 k( 165) = ( 0.1278246 0.1278246 0.5636948), wk = 0.0021413 k( 166) = ( 0.1207233 0.1207233 0.5601562), wk = 0.0021413 k( 167) = ( 0.1136219 0.1136219 0.5566176), wk = 0.0021413 k( 168) = ( 0.1065205 0.1065205 0.5530790), wk = 0.0021413 k( 169) = ( 0.0994192 0.0994192 0.5495404), wk = 0.0021413 k( 170) = ( 0.0923178 0.0923178 0.5460018), wk = 0.0021413 k( 171) = ( 0.0852164 0.0852164 0.5424632), wk = 0.0021413 k( 172) = ( 0.0781151 0.0781151 0.5389246), wk = 0.0021413 k( 173) = ( 0.0710137 0.0710137 0.5353860), wk = 0.0021413 k( 174) = ( 0.0639123 0.0639123 0.5318474), wk = 0.0021413 k( 175) = ( 0.0568109 0.0568109 0.5283088), wk = 0.0021413 k( 176) = ( 0.0497096 0.0497096 0.5247702), wk = 0.0021413 k( 177) = ( 0.0426082 0.0426082 0.5212316), wk = 0.0021413 k( 178) = ( 0.0355068 0.0355068 0.5176930), wk = 0.0021413 k( 179) = ( 0.0284055 0.0284055 0.5141544), wk = 0.0021413 k( 180) = ( 0.0213041 0.0213041 0.5106158), wk = 0.0021413 k( 181) = ( 0.0142027 0.0142027 0.5070772), wk = 0.0021413 k( 182) = ( 0.0071014 0.0071014 0.5035386), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021413 k( 185) = ( 0.0086207 -0.0086207 0.5000000), wk = 0.0021413 k( 186) = ( 0.0172414 -0.0172414 0.5000000), wk = 0.0021413 k( 187) = ( 0.0258621 -0.0258621 0.5000000), wk = 0.0021413 k( 188) = ( 0.0344828 -0.0344828 0.5000000), wk = 0.0021413 k( 189) = ( 0.0431035 -0.0431035 0.5000000), wk = 0.0021413 k( 190) = ( 0.0517241 -0.0517241 0.5000000), wk = 0.0021413 k( 191) = ( 0.0603448 -0.0603448 0.5000000), wk = 0.0021413 k( 192) = ( 0.0689655 -0.0689655 0.5000000), wk = 0.0021413 k( 193) = ( 0.0775862 -0.0775862 0.5000000), wk = 0.0021413 k( 194) = ( 0.0862069 -0.0862069 0.5000000), wk = 0.0021413 k( 195) = ( 0.0948276 -0.0948276 0.5000000), wk = 0.0021413 k( 196) = ( 0.1034483 -0.1034483 0.5000000), wk = 0.0021413 k( 197) = ( 0.1120690 -0.1120690 0.5000000), wk = 0.0021413 k( 198) = ( 0.1206897 -0.1206897 0.5000000), wk = 0.0021413 k( 199) = ( 0.1293103 -0.1293103 0.5000000), wk = 0.0021413 k( 200) = ( 0.1379310 -0.1379310 0.5000000), wk = 0.0021413 k( 201) = ( 0.1465517 -0.1465517 0.5000000), wk = 0.0021413 k( 202) = ( 0.1551724 -0.1551724 0.5000000), wk = 0.0021413 k( 203) = ( 0.1637931 -0.1637931 0.5000000), wk = 0.0021413 k( 204) = ( 0.1724138 -0.1724138 0.5000000), wk = 0.0021413 k( 205) = ( 0.1810345 -0.1810345 0.5000000), wk = 0.0021413 k( 206) = ( 0.1896552 -0.1896552 0.5000000), wk = 0.0021413 k( 207) = ( 0.1982759 -0.1982759 0.5000000), wk = 0.0021413 k( 208) = ( 0.2068966 -0.2068966 0.5000000), wk = 0.0021413 k( 209) = ( 0.2155172 -0.2155172 0.5000000), wk = 0.0021413 k( 210) = ( 0.2241379 -0.2241379 0.5000000), wk = 0.0021413 k( 211) = ( 0.2327586 -0.2327586 0.5000000), wk = 0.0021413 k( 212) = ( 0.2413793 -0.2413793 0.5000000), wk = 0.0021413 k( 213) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0021413 k( 214) = ( 0.2586207 -0.2586207 0.5000000), wk = 0.0021413 k( 215) = ( 0.2672414 -0.2672414 0.5000000), wk = 0.0021413 k( 216) = ( 0.2758621 -0.2758621 0.5000000), wk = 0.0021413 k( 217) = ( 0.2844828 -0.2844828 0.5000000), wk = 0.0021413 k( 218) = ( 0.2931034 -0.2931034 0.5000000), wk = 0.0021413 k( 219) = ( 0.3017241 -0.3017241 0.5000000), wk = 0.0021413 k( 220) = ( 0.3103448 -0.3103448 0.5000000), wk = 0.0021413 k( 221) = ( 0.3189655 -0.3189655 0.5000000), wk = 0.0021413 k( 222) = ( 0.3275862 -0.3275862 0.5000000), wk = 0.0021413 k( 223) = ( 0.3362069 -0.3362069 0.5000000), wk = 0.0021413 k( 224) = ( 0.3448276 -0.3448276 0.5000000), wk = 0.0021413 k( 225) = ( 0.3534483 -0.3534483 0.5000000), wk = 0.0021413 k( 226) = ( 0.3620690 -0.3620690 0.5000000), wk = 0.0021413 k( 227) = ( 0.3706897 -0.3706897 0.5000000), wk = 0.0021413 k( 228) = ( 0.3793103 -0.3793103 0.5000000), wk = 0.0021413 k( 229) = ( 0.3879310 -0.3879310 0.5000000), wk = 0.0021413 k( 230) = ( 0.3965517 -0.3965517 0.5000000), wk = 0.0021413 k( 231) = ( 0.4051724 -0.4051724 0.5000000), wk = 0.0021413 k( 232) = ( 0.4137931 -0.4137931 0.5000000), wk = 0.0021413 k( 233) = ( 0.4224138 -0.4224138 0.5000000), wk = 0.0021413 k( 234) = ( 0.4310345 -0.4310345 0.5000000), wk = 0.0021413 k( 235) = ( 0.4396552 -0.4396552 0.5000000), wk = 0.0021413 k( 236) = ( 0.4482759 -0.4482759 0.5000000), wk = 0.0021413 k( 237) = ( 0.4568966 -0.4568965 0.5000000), wk = 0.0021413 k( 238) = ( 0.4655172 -0.4655172 0.5000000), wk = 0.0021413 k( 239) = ( 0.4741379 -0.4741379 0.5000000), wk = 0.0021413 k( 240) = ( 0.4827586 -0.4827586 0.5000000), wk = 0.0021413 k( 241) = ( 0.4913793 -0.4913793 0.5000000), wk = 0.0021413 k( 242) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021413 k( 243) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0021413 k( 244) = ( 0.4985166 -0.5014834 0.4992608), wk = 0.0021413 k( 245) = ( 0.6662356 -0.3337643 0.3336859), wk = 0.0021413 k( 246) = ( 0.6640288 -0.3359712 0.3227066), wk = 0.0021413 k( 247) = ( 0.6618220 -0.3381780 0.3117274), wk = 0.0021413 k( 248) = ( 0.6596152 -0.3403848 0.3007481), wk = 0.0021413 k( 249) = ( 0.6574083 -0.3425917 0.2897688), wk = 0.0021413 k( 250) = ( 0.6552015 -0.3447985 0.2787895), wk = 0.0021413 k( 251) = ( 0.6529947 -0.3470053 0.2678103), wk = 0.0021413 k( 252) = ( 0.6507878 -0.3492122 0.2568310), wk = 0.0021413 k( 253) = ( 0.6485810 -0.3514190 0.2458517), wk = 0.0021413 k( 254) = ( 0.6463742 -0.3536258 0.2348724), wk = 0.0021413 k( 255) = ( 0.6441674 -0.3558326 0.2238931), wk = 0.0021413 k( 256) = ( 0.6419605 -0.3580395 0.2129139), wk = 0.0021413 k( 257) = ( 0.6397537 -0.3602463 0.2019346), wk = 0.0021413 k( 258) = ( 0.6375469 -0.3624531 0.1909553), wk = 0.0021413 k( 259) = ( 0.6353400 -0.3646600 0.1799760), wk = 0.0021413 k( 260) = ( 0.6331332 -0.3668668 0.1689968), wk = 0.0021413 k( 261) = ( 0.6309264 -0.3690736 0.1580175), wk = 0.0021413 k( 262) = ( 0.6287195 -0.3712805 0.1470382), wk = 0.0021413 k( 263) = ( 0.6265127 -0.3734873 0.1360589), wk = 0.0021413 k( 264) = ( 0.6243059 -0.3756941 0.1250796), wk = 0.0021413 k( 265) = ( 0.6220990 -0.3779010 0.1141004), wk = 0.0021413 k( 266) = ( 0.6198922 -0.3801078 0.1031211), wk = 0.0021413 k( 267) = ( 0.6176854 -0.3823146 0.0921418), wk = 0.0021413 k( 268) = ( 0.6154786 -0.3845214 0.0811625), wk = 0.0021413 k( 269) = ( 0.6132717 -0.3867283 0.0701833), wk = 0.0021413 k( 270) = ( 0.6110649 -0.3889351 0.0592040), wk = 0.0021413 k( 271) = ( 0.6088581 -0.3911419 0.0482247), wk = 0.0021413 k( 272) = ( 0.6066512 -0.3933488 0.0372454), wk = 0.0021413 k( 273) = ( 0.6044444 -0.3955556 0.0262661), wk = 0.0021413 k( 274) = ( 0.6022376 -0.3977624 0.0152869), wk = 0.0021413 k( 275) = ( 0.6000307 -0.3999692 0.0043076), wk = 0.0021413 k( 276) = ( 0.5978239 -0.4021761 -0.0066717), wk = 0.0021413 k( 277) = ( 0.5956171 -0.4043829 -0.0176510), wk = 0.0021413 k( 278) = ( 0.5934103 -0.4065897 -0.0286303), wk = 0.0021413 k( 279) = ( 0.5912034 -0.4087966 -0.0396095), wk = 0.0021413 k( 280) = ( 0.5889966 -0.4110034 -0.0505888), wk = 0.0021413 k( 281) = ( 0.5867898 -0.4132102 -0.0615681), wk = 0.0021413 k( 282) = ( 0.5845829 -0.4154171 -0.0725474), wk = 0.0021413 k( 283) = ( 0.5823761 -0.4176239 -0.0835266), wk = 0.0021413 k( 284) = ( 0.5823761 -0.4176239 -0.0835266), wk = 0.0021413 k( 285) = ( 0.5775305 -0.4224695 -0.0786133), wk = 0.0021413 k( 286) = ( 0.5726848 -0.4273152 -0.0737000), wk = 0.0021413 k( 287) = ( 0.5678391 -0.4321608 -0.0687866), wk = 0.0021413 k( 288) = ( 0.5629935 -0.4370065 -0.0638733), wk = 0.0021413 k( 289) = ( 0.5581478 -0.4418522 -0.0589600), wk = 0.0021413 k( 290) = ( 0.5533022 -0.4466978 -0.0540467), wk = 0.0021413 k( 291) = ( 0.5484565 -0.4515435 -0.0491333), wk = 0.0021413 k( 292) = ( 0.5436109 -0.4563891 -0.0442200), wk = 0.0021413 k( 293) = ( 0.5387652 -0.4612348 -0.0393066), wk = 0.0021413 k( 294) = ( 0.5339196 -0.4660804 -0.0343933), wk = 0.0021413 k( 295) = ( 0.5290739 -0.4709261 -0.0294800), wk = 0.0021413 k( 296) = ( 0.5242283 -0.4757717 -0.0245667), wk = 0.0021413 k( 297) = ( 0.5193826 -0.4806174 -0.0196533), wk = 0.0021413 k( 298) = ( 0.5145370 -0.4854630 -0.0147400), wk = 0.0021413 k( 299) = ( 0.5096913 -0.4903087 -0.0098267), wk = 0.0021413 k( 300) = ( 0.5048457 -0.4951543 -0.0049133), wk = 0.0021413 k( 301) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0021413 k( 302) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0021413 k( 303) = ( 0.4913793 -0.4913793 0.0000000), wk = 0.0021413 k( 304) = ( 0.4827586 -0.4827586 0.0000000), wk = 0.0021413 k( 305) = ( 0.4741379 -0.4741379 0.0000000), wk = 0.0021413 k( 306) = ( 0.4655172 -0.4655172 0.0000000), wk = 0.0021413 k( 307) = ( 0.4568966 -0.4568965 0.0000000), wk = 0.0021413 k( 308) = ( 0.4482759 -0.4482759 -0.0000000), wk = 0.0021413 k( 309) = ( 0.4396552 -0.4396552 0.0000000), wk = 0.0021413 k( 310) = ( 0.4310345 -0.4310345 0.0000000), wk = 0.0021413 k( 311) = ( 0.4224138 -0.4224138 0.0000000), wk = 0.0021413 k( 312) = ( 0.4137931 -0.4137931 0.0000000), wk = 0.0021413 k( 313) = ( 0.4051724 -0.4051724 0.0000000), wk = 0.0021413 k( 314) = ( 0.3965517 -0.3965517 0.0000000), wk = 0.0021413 k( 315) = ( 0.3879310 -0.3879310 0.0000000), wk = 0.0021413 k( 316) = ( 0.3793103 -0.3793103 0.0000000), wk = 0.0021413 k( 317) = ( 0.3706897 -0.3706897 0.0000000), wk = 0.0021413 k( 318) = ( 0.3620690 -0.3620690 -0.0000000), wk = 0.0021413 k( 319) = ( 0.3534483 -0.3534483 0.0000000), wk = 0.0021413 k( 320) = ( 0.3448276 -0.3448276 -0.0000000), wk = 0.0021413 k( 321) = ( 0.3362069 -0.3362069 0.0000000), wk = 0.0021413 k( 322) = ( 0.3275862 -0.3275862 -0.0000000), wk = 0.0021413 k( 323) = ( 0.3189655 -0.3189655 0.0000000), wk = 0.0021413 k( 324) = ( 0.3103448 -0.3103448 0.0000000), wk = 0.0021413 k( 325) = ( 0.3017241 -0.3017241 0.0000000), wk = 0.0021413 k( 326) = ( 0.2931034 -0.2931034 0.0000000), wk = 0.0021413 k( 327) = ( 0.2844828 -0.2844828 0.0000000), wk = 0.0021413 k( 328) = ( 0.2758621 -0.2758621 0.0000000), wk = 0.0021413 k( 329) = ( 0.2672414 -0.2672414 0.0000000), wk = 0.0021413 k( 330) = ( 0.2586207 -0.2586207 0.0000000), wk = 0.0021413 k( 331) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0021413 k( 332) = ( 0.2413793 -0.2413793 0.0000000), wk = 0.0021413 k( 333) = ( 0.2327586 -0.2327586 0.0000000), wk = 0.0021413 k( 334) = ( 0.2241379 -0.2241379 -0.0000000), wk = 0.0021413 k( 335) = ( 0.2155172 -0.2155172 0.0000000), wk = 0.0021413 k( 336) = ( 0.2068966 -0.2068966 0.0000000), wk = 0.0021413 k( 337) = ( 0.1982759 -0.1982759 0.0000000), wk = 0.0021413 k( 338) = ( 0.1896552 -0.1896552 0.0000000), wk = 0.0021413 k( 339) = ( 0.1810345 -0.1810345 0.0000000), wk = 0.0021413 k( 340) = ( 0.1724138 -0.1724138 0.0000000), wk = 0.0021413 k( 341) = ( 0.1637931 -0.1637931 0.0000000), wk = 0.0021413 k( 342) = ( 0.1551724 -0.1551724 0.0000000), wk = 0.0021413 k( 343) = ( 0.1465517 -0.1465517 0.0000000), wk = 0.0021413 k( 344) = ( 0.1379310 -0.1379310 0.0000000), wk = 0.0021413 k( 345) = ( 0.1293103 -0.1293103 0.0000000), wk = 0.0021413 k( 346) = ( 0.1206897 -0.1206897 -0.0000000), wk = 0.0021413 k( 347) = ( 0.1120690 -0.1120690 -0.0000000), wk = 0.0021413 k( 348) = ( 0.1034483 -0.1034483 0.0000000), wk = 0.0021413 k( 349) = ( 0.0948276 -0.0948276 -0.0000000), wk = 0.0021413 k( 350) = ( 0.0862069 -0.0862069 -0.0000000), wk = 0.0021413 k( 351) = ( 0.0775862 -0.0775862 0.0000000), wk = 0.0021413 k( 352) = ( 0.0689655 -0.0689655 0.0000000), wk = 0.0021413 k( 353) = ( 0.0603448 -0.0603448 -0.0000000), wk = 0.0021413 k( 354) = ( 0.0517241 -0.0517241 0.0000000), wk = 0.0021413 k( 355) = ( 0.0431035 -0.0431035 -0.0000000), wk = 0.0021413 k( 356) = ( 0.0344828 -0.0344828 0.0000000), wk = 0.0021413 k( 357) = ( 0.0258621 -0.0258621 0.0000000), wk = 0.0021413 k( 358) = ( 0.0172414 -0.0172414 0.0000000), wk = 0.0021413 k( 359) = ( 0.0086207 -0.0086207 0.0000000), wk = 0.0021413 k( 360) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 361) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 k( 362) = ( 0.0106383 0.0000000 -0.0000000), wk = 0.0021413 k( 363) = ( 0.0212766 0.0000000 -0.0000000), wk = 0.0021413 k( 364) = ( 0.0319149 0.0000000 -0.0000000), wk = 0.0021413 k( 365) = ( 0.0425532 0.0000000 -0.0000000), wk = 0.0021413 k( 366) = ( 0.0531915 0.0000000 -0.0000000), wk = 0.0021413 k( 367) = ( 0.0638298 0.0000000 -0.0000000), wk = 0.0021413 k( 368) = ( 0.0744681 0.0000000 -0.0000000), wk = 0.0021413 k( 369) = ( 0.0851064 0.0000000 -0.0000000), wk = 0.0021413 k( 370) = ( 0.0957447 0.0000000 -0.0000000), wk = 0.0021413 k( 371) = ( 0.1063830 0.0000000 -0.0000000), wk = 0.0021413 k( 372) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0021413 k( 373) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0021413 k( 374) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0021413 k( 375) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0021413 k( 376) = ( 0.1595745 -0.0000000 -0.0000000), wk = 0.0021413 k( 377) = ( 0.1702128 0.0000000 -0.0000000), wk = 0.0021413 k( 378) = ( 0.1808511 0.0000000 -0.0000000), wk = 0.0021413 k( 379) = ( 0.1914894 0.0000000 -0.0000000), wk = 0.0021413 k( 380) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0021413 k( 381) = ( 0.2127660 0.0000000 -0.0000000), wk = 0.0021413 k( 382) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0021413 k( 383) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0021413 k( 384) = ( 0.2446809 0.0000000 -0.0000000), wk = 0.0021413 k( 385) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0021413 k( 386) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0021413 k( 387) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0021413 k( 388) = ( 0.2872340 0.0000000 -0.0000000), wk = 0.0021413 k( 389) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0021413 k( 390) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0021413 k( 391) = ( 0.3191489 -0.0000000 -0.0000000), wk = 0.0021413 k( 392) = ( 0.3297872 0.0000000 -0.0000000), wk = 0.0021413 k( 393) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0021413 k( 394) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0021413 k( 395) = ( 0.3617021 0.0000000 -0.0000000), wk = 0.0021413 k( 396) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0021413 k( 397) = ( 0.3829787 0.0000000 -0.0000000), wk = 0.0021413 k( 398) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0021413 k( 399) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0021413 k( 400) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0021413 k( 401) = ( 0.4255319 0.0000000 -0.0000000), wk = 0.0021413 k( 402) = ( 0.4361702 -0.0000000 0.0000000), wk = 0.0021413 k( 403) = ( 0.4468085 0.0000000 -0.0000000), wk = 0.0021413 k( 404) = ( 0.4574468 0.0000000 -0.0000000), wk = 0.0021413 k( 405) = ( 0.4680851 -0.0000000 -0.0000000), wk = 0.0021413 k( 406) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0021413 k( 407) = ( 0.4893617 0.0000000 -0.0000000), wk = 0.0021413 k( 408) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021413 k( 409) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021413 k( 410) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0021413 k( 411) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0021413 k( 412) = ( 0.4741379 0.0000000 0.4741379), wk = 0.0021413 k( 413) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0021413 k( 414) = ( 0.4568966 0.0000000 0.4568966), wk = 0.0021413 k( 415) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0021413 k( 416) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0021413 k( 417) = ( 0.4310345 -0.0000000 0.4310345), wk = 0.0021413 k( 418) = ( 0.4224138 -0.0000000 0.4224138), wk = 0.0021413 k( 419) = ( 0.4137931 -0.0000000 0.4137931), wk = 0.0021413 k( 420) = ( 0.4051724 0.0000000 0.4051724), wk = 0.0021413 k( 421) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0021413 k( 422) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0021413 k( 423) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0021413 k( 424) = ( 0.3706897 0.0000000 0.3706897), wk = 0.0021413 k( 425) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0021413 k( 426) = ( 0.3534483 -0.0000000 0.3534483), wk = 0.0021413 k( 427) = ( 0.3448276 -0.0000000 0.3448276), wk = 0.0021413 k( 428) = ( 0.3362069 0.0000000 0.3362069), wk = 0.0021413 k( 429) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0021413 k( 430) = ( 0.3189655 0.0000000 0.3189655), wk = 0.0021413 k( 431) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0021413 k( 432) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0021413 k( 433) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0021413 k( 434) = ( 0.2844828 0.0000000 0.2844828), wk = 0.0021413 k( 435) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0021413 k( 436) = ( 0.2672414 0.0000000 0.2672414), wk = 0.0021413 k( 437) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0021413 k( 438) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0021413 k( 439) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0021413 k( 440) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0021413 k( 441) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0021413 k( 442) = ( 0.2155172 -0.0000000 0.2155172), wk = 0.0021413 k( 443) = ( 0.2068966 -0.0000000 0.2068966), wk = 0.0021413 k( 444) = ( 0.1982759 0.0000000 0.1982759), wk = 0.0021413 k( 445) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0021413 k( 446) = ( 0.1810345 0.0000000 0.1810345), wk = 0.0021413 k( 447) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0021413 k( 448) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0021413 k( 449) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0021413 k( 450) = ( 0.1465517 -0.0000000 0.1465517), wk = 0.0021413 k( 451) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0021413 k( 452) = ( 0.1293103 0.0000000 0.1293103), wk = 0.0021413 k( 453) = ( 0.1206897 -0.0000000 0.1206897), wk = 0.0021413 k( 454) = ( 0.1120690 0.0000000 0.1120690), wk = 0.0021413 k( 455) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0021413 k( 456) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0021413 k( 457) = ( 0.0862069 -0.0000000 0.0862069), wk = 0.0021413 k( 458) = ( 0.0775862 0.0000000 0.0775862), wk = 0.0021413 k( 459) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0021413 k( 460) = ( 0.0603448 -0.0000000 0.0603448), wk = 0.0021413 k( 461) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0021413 k( 462) = ( 0.0431035 -0.0000000 0.0431035), wk = 0.0021413 k( 463) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0021413 k( 464) = ( 0.0258621 0.0000000 0.0258621), wk = 0.0021413 k( 465) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0021413 k( 466) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0021413 k( 467) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021413 Dense grid: 39397 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 11993 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 94, 32) NL pseudopotentials 0.04 Mb ( 47, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1095) G-vector shells 0.01 Mb ( 1040) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 94, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) The potential is recalculated from file : ./HgO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.9 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.6 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.3 secs Computing kpt #: 18 total cpu time spent up to now is 5.5 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.8 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.3 secs Computing kpt #: 24 total cpu time spent up to now is 6.5 secs Computing kpt #: 25 total cpu time spent up to now is 6.7 secs Computing kpt #: 26 total cpu time spent up to now is 6.8 secs Computing kpt #: 27 total cpu time spent up to now is 7.0 secs Computing kpt #: 28 total cpu time spent up to now is 7.2 secs Computing kpt #: 29 total cpu time spent up to now is 7.4 secs Computing kpt #: 30 total cpu time spent up to now is 7.6 secs Computing kpt #: 31 total cpu time spent up to now is 7.8 secs Computing kpt #: 32 total cpu time spent up to now is 8.0 secs Computing kpt #: 33 total cpu time spent up to now is 8.1 secs Computing kpt #: 34 total cpu time spent up to now is 8.3 secs Computing kpt #: 35 total cpu time spent up to now is 8.5 secs Computing kpt #: 36 total cpu time spent up to now is 8.6 secs Computing kpt #: 37 total cpu time spent up to now is 8.8 secs Computing kpt #: 38 total cpu time spent up to now is 9.0 secs Computing kpt #: 39 total cpu time spent up to now is 9.1 secs Computing kpt #: 40 total cpu time spent up to now is 9.3 secs Computing kpt #: 41 total cpu time spent up to now is 9.4 secs Computing kpt #: 42 total cpu time spent up to now is 9.6 secs Computing kpt #: 43 total cpu time spent up to now is 9.8 secs Computing kpt #: 44 total cpu time spent up to now is 9.9 secs Computing kpt #: 45 total cpu time spent up to now is 10.1 secs Computing kpt #: 46 total cpu time spent up to now is 10.3 secs Computing kpt #: 47 total cpu time spent up to now is 10.4 secs Computing kpt #: 48 total cpu time spent up to now is 10.6 secs Computing kpt #: 49 total cpu time spent up to now is 10.8 secs Computing kpt #: 50 total cpu time spent up to now is 11.0 secs Computing kpt #: 51 total cpu time spent up to now is 11.1 secs Computing kpt #: 52 total cpu time spent up to now is 11.3 secs Computing kpt #: 53 total cpu time spent up to now is 11.5 secs Computing kpt #: 54 total cpu time spent up to now is 11.7 secs Computing kpt #: 55 total cpu time spent up to now is 11.8 secs Computing kpt #: 56 total cpu time spent up to now is 12.0 secs Computing kpt #: 57 total cpu time spent up to now is 12.2 secs Computing kpt #: 58 total cpu time spent up to now is 12.4 secs Computing kpt #: 59 total cpu time spent up to now is 12.6 secs Computing kpt #: 60 total cpu time spent up to now is 12.7 secs Computing kpt #: 61 total cpu time spent up to now is 12.9 secs Computing kpt #: 62 total cpu time spent up to now is 13.1 secs Computing kpt #: 63 total cpu time spent up to now is 13.3 secs Computing kpt #: 64 total cpu time spent up to now is 13.5 secs Computing kpt #: 65 total cpu time spent up to now is 13.6 secs Computing kpt #: 66 total cpu time spent up to now is 13.8 secs Computing kpt #: 67 total cpu time spent up to now is 14.0 secs Computing kpt #: 68 total cpu time spent up to now is 14.2 secs Computing kpt #: 69 total cpu time spent up to now is 14.4 secs Computing kpt #: 70 total cpu time spent up to now is 14.5 secs Computing kpt #: 71 total cpu time spent up to now is 14.7 secs Computing kpt #: 72 total cpu time spent up to now is 14.9 secs Computing kpt #: 73 total cpu time spent up to now is 15.1 secs Computing kpt #: 74 total cpu time spent up to now is 15.3 secs Computing kpt #: 75 total cpu time spent up to now is 15.5 secs Computing kpt #: 76 total cpu time spent up to now is 15.6 secs Computing kpt #: 77 total cpu time spent up to now is 15.8 secs Computing kpt #: 78 total cpu time spent up to now is 16.0 secs Computing kpt #: 79 total cpu time spent up to now is 16.2 secs Computing kpt #: 80 total cpu time spent up to now is 16.3 secs Computing kpt #: 81 total cpu time spent up to now is 16.5 secs Computing kpt #: 82 total cpu time spent up to now is 16.7 secs Computing kpt #: 83 total cpu time spent up to now is 16.9 secs Computing kpt #: 84 total cpu time spent up to now is 17.0 secs Computing kpt #: 85 total cpu time spent up to now is 17.2 secs Computing kpt #: 86 total cpu time spent up to now is 17.4 secs Computing kpt #: 87 total cpu time spent up to now is 17.5 secs Computing kpt #: 88 total cpu time spent up to now is 17.7 secs Computing kpt #: 89 total cpu time spent up to now is 17.9 secs Computing kpt #: 90 total cpu time spent up to now is 18.0 secs Computing kpt #: 91 total cpu time spent up to now is 18.2 secs Computing kpt #: 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now is 20.7 secs Computing kpt #: 108 total cpu time spent up to now is 20.9 secs Computing kpt #: 109 total cpu time spent up to now is 21.1 secs Computing kpt #: 110 total cpu time spent up to now is 21.2 secs Computing kpt #: 111 total cpu time spent up to now is 21.4 secs Computing kpt #: 112 total cpu time spent up to now is 21.6 secs Computing kpt #: 113 total cpu time spent up to now is 21.7 secs Computing kpt #: 114 total cpu time spent up to now is 21.9 secs Computing kpt #: 115 total cpu time spent up to now is 22.0 secs Computing kpt #: 116 total cpu time spent up to now is 22.2 secs Computing kpt #: 117 total cpu time spent up to now is 22.4 secs Computing kpt #: 118 total cpu time spent up to now is 22.5 secs Computing kpt #: 119 total cpu time spent up to now is 22.7 secs Computing kpt #: 120 total cpu time spent up to now is 22.9 secs Computing kpt #: 121 total cpu time spent up to now is 23.0 secs Computing kpt #: 122 total cpu time spent up to now is 23.2 secs Computing kpt #: 123 total cpu time spent up to now is 23.4 secs Computing kpt #: 124 total cpu time spent up to now is 23.5 secs Computing kpt #: 125 total cpu time spent up to now is 23.7 secs Computing kpt #: 126 total cpu time spent up to now is 23.9 secs Computing kpt #: 127 total cpu time spent up to now is 24.0 secs Computing kpt #: 128 total cpu time spent up to now is 24.2 secs Computing kpt #: 129 total cpu time spent up to now is 24.3 secs Computing kpt #: 130 total cpu time spent up to now is 24.5 secs Computing kpt #: 131 total cpu time spent up to now is 24.7 secs Computing kpt #: 132 total cpu time spent up to now is 24.8 secs Computing kpt #: 133 total cpu time spent up to now is 25.0 secs Computing kpt #: 134 total cpu time spent up to now is 25.2 secs Computing kpt #: 135 total cpu time spent up to now is 25.3 secs Computing kpt #: 136 total cpu time spent up to now is 25.5 secs Computing kpt #: 137 total cpu time spent up to now is 25.6 secs Computing kpt #: 138 total cpu time spent up to now is 25.8 secs Computing kpt #: 139 total cpu time spent up to now is 26.0 secs Computing kpt #: 140 total cpu time spent up to now is 26.1 secs Computing kpt #: 141 total cpu time spent up to now is 26.3 secs Computing kpt #: 142 total cpu time spent up to now is 26.5 secs Computing kpt #: 143 total cpu time spent up to now is 26.6 secs Computing kpt #: 144 total cpu time spent up to now is 26.8 secs Computing kpt #: 145 total cpu time spent up to now is 26.9 secs Computing kpt #: 146 total cpu time spent up to now is 27.1 secs Computing kpt #: 147 total cpu time spent up to now is 27.3 secs Computing kpt #: 148 total cpu time spent up to now is 27.4 secs Computing kpt #: 149 total cpu time spent up to now is 27.6 secs Computing kpt #: 150 total cpu time spent up to now is 27.7 secs Computing kpt #: 151 total cpu time spent up to now is 27.9 secs Computing kpt #: 152 total cpu time spent up to now is 28.1 secs Computing kpt #: 153 total cpu time spent up to now is 28.2 secs Computing kpt #: 154 total cpu time spent up to now is 28.4 secs Computing kpt #: 155 total cpu time spent up to now is 28.5 secs Computing kpt #: 156 total cpu time spent up to now is 28.7 secs Computing kpt #: 157 total cpu time spent up to now is 28.9 secs Computing kpt #: 158 total cpu time spent up to now is 29.0 secs Computing kpt #: 159 total cpu time spent up to now is 29.2 secs Computing kpt #: 160 total cpu time spent up to now is 29.4 secs Computing kpt #: 161 total cpu time spent up to now is 29.5 secs Computing kpt #: 162 total cpu time spent up to now is 29.7 secs Computing kpt #: 163 total cpu time spent up to now is 29.9 secs Computing kpt #: 164 total cpu time spent up to now is 30.0 secs Computing kpt #: 165 total cpu time spent up to now is 30.2 secs Computing kpt #: 166 total cpu time spent up to now is 30.3 secs Computing kpt #: 167 total cpu time spent up to now is 30.5 secs Computing kpt #: 168 total cpu time spent up to now is 30.7 secs Computing kpt #: 169 total cpu time spent up to now is 30.8 secs Computing kpt #: 170 total cpu time spent up to now is 31.0 secs Computing kpt #: 171 total cpu time spent up to now is 31.2 secs Computing kpt #: 172 total cpu time spent up to now is 31.4 secs Computing kpt #: 173 total cpu time spent up to now is 31.5 secs Computing kpt #: 174 total cpu time spent up to now is 31.7 secs Computing kpt #: 175 total cpu time spent up to now is 31.9 secs Computing kpt #: 176 total cpu time spent up to now is 32.0 secs Computing kpt #: 177 total cpu time spent up to now is 32.2 secs Computing kpt #: 178 total cpu time spent up to now is 32.3 secs Computing kpt #: 179 total cpu time spent up to now is 32.5 secs Computing kpt #: 180 total cpu time spent up to now is 32.7 secs Computing kpt #: 181 total cpu time spent up to now is 32.8 secs Computing kpt #: 182 total cpu time spent up to now is 33.0 secs Computing kpt #: 183 total cpu time spent up to now is 33.1 secs Computing kpt #: 184 total cpu time spent up to now is 33.3 secs Computing kpt #: 185 total cpu time spent up to now is 33.5 secs Computing kpt #: 186 total cpu time spent up to now is 33.6 secs Computing kpt #: 187 total cpu time spent up to now is 33.8 secs Computing kpt #: 188 total cpu time spent up to now is 33.9 secs Computing kpt #: 189 total cpu time spent up to now is 34.1 secs Computing kpt #: 190 total cpu time spent up to now is 34.3 secs Computing kpt #: 191 total cpu time spent up to now is 34.4 secs Computing kpt #: 192 total cpu time spent up to now is 34.6 secs Computing kpt #: 193 total cpu time spent up to now is 34.7 secs Computing kpt #: 194 total cpu time spent up to now is 34.9 secs Computing kpt #: 195 total cpu time spent up to now is 35.1 secs Computing kpt #: 196 total cpu time spent up to now is 35.2 secs Computing kpt #: 197 total cpu time spent up to now is 35.4 secs Computing kpt #: 198 total cpu time spent up to now is 35.5 secs Computing kpt #: 199 total cpu time spent up to now is 35.7 secs Computing kpt #: 200 total cpu time spent up to now is 36.0 secs Computing kpt #: 201 total cpu time spent up to now is 36.1 secs Computing kpt #: 202 total cpu time spent up to now is 36.3 secs Computing kpt #: 203 total cpu time spent up to now is 36.5 secs Computing kpt #: 204 total cpu time spent up to now is 36.6 secs Computing kpt #: 205 total cpu time spent up to now is 36.8 secs Computing kpt #: 206 total cpu time spent up to now is 36.9 secs Computing kpt #: 207 total cpu time spent up to now is 37.1 secs Computing kpt #: 208 total cpu time spent up to now is 37.3 secs Computing kpt #: 209 total cpu time spent up to now is 37.4 secs Computing kpt #: 210 total cpu time spent up to now is 37.6 secs Computing kpt #: 211 total cpu time spent up to now is 37.7 secs Computing kpt #: 212 total cpu time spent up to now is 37.9 secs Computing kpt #: 213 total cpu time spent up to now is 38.1 secs Computing kpt #: 214 total cpu time spent up to now is 38.2 secs Computing kpt #: 215 total cpu time spent up to now is 38.4 secs Computing kpt #: 216 total cpu time spent up to now is 38.5 secs Computing kpt #: 217 total cpu time spent up to now is 38.7 secs Computing kpt #: 218 total cpu time spent up to now is 38.9 secs Computing kpt #: 219 total cpu time spent up to now is 39.0 secs Computing kpt #: 220 total cpu time spent up to now is 39.2 secs Computing kpt #: 221 total cpu time spent up to now is 39.3 secs Computing kpt #: 222 total cpu time spent up to now is 39.5 secs Computing kpt #: 223 total cpu time spent up to now is 39.7 secs Computing kpt #: 224 total cpu time spent up to now is 39.8 secs Computing kpt #: 225 total cpu time spent up to now is 40.0 secs Computing kpt #: 226 total cpu time spent up to now is 40.1 secs Computing kpt #: 227 total cpu time spent up to now is 40.3 secs Computing kpt #: 228 total cpu time spent up to now is 40.5 secs Computing kpt #: 229 total cpu time spent up to now is 40.6 secs Computing kpt #: 230 total cpu time spent up to now is 40.8 secs Computing kpt #: 231 total cpu time spent up to now is 40.9 secs Computing kpt #: 232 total cpu time spent up to now is 41.1 secs Computing kpt #: 233 total cpu time spent up to now is 41.3 secs Computing kpt #: 234 total cpu time spent up to now is 41.4 secs Computing kpt #: 235 total cpu time spent up to now is 41.6 secs Computing kpt #: 236 total cpu time spent up to now is 41.7 secs Computing kpt #: 237 total cpu time spent up to now is 41.9 secs Computing kpt #: 238 total cpu time spent up to now is 42.1 secs Computing kpt #: 239 total cpu time spent up to now is 42.2 secs Computing kpt #: 240 total cpu time spent up to now is 42.4 secs Computing kpt #: 241 total cpu time spent up to now is 42.5 secs Computing kpt #: 242 total cpu time spent up to now is 42.7 secs Computing kpt #: 243 total cpu time spent up to now is 42.8 secs Computing kpt #: 244 total cpu time spent up to now is 43.0 secs Computing kpt #: 245 total cpu time spent up to now is 43.2 secs Computing kpt #: 246 total cpu time spent up to now is 43.3 secs Computing kpt #: 247 total cpu time spent up to now is 43.5 secs Computing kpt #: 248 total cpu time spent up to now is 43.6 secs Computing kpt #: 249 total cpu time spent up to now is 43.8 secs Computing kpt #: 250 total cpu time spent up to now is 44.0 secs Computing kpt #: 251 total cpu time spent up to now is 44.1 secs Computing kpt #: 252 total cpu time spent up to now is 44.3 secs Computing kpt #: 253 total cpu time spent up to now is 44.4 secs Computing kpt #: 254 total cpu time spent up to now is 44.6 secs Computing kpt #: 255 total cpu time spent up to now is 44.8 secs Computing kpt #: 256 total cpu time spent up to now is 44.9 secs Computing kpt #: 257 total cpu time spent up to now is 45.1 secs Computing kpt #: 258 total cpu time spent up to now is 45.2 secs Computing kpt #: 259 total cpu time spent up to now is 45.4 secs Computing kpt #: 260 total cpu time spent up to now is 45.6 secs Computing kpt #: 261 total cpu time spent up to now is 45.8 secs Computing kpt #: 262 total cpu time spent up to now is 46.0 secs Computing kpt #: 263 total cpu time spent up to now is 46.2 secs Computing kpt #: 264 total cpu time spent up to now is 46.4 secs Computing kpt #: 265 total cpu time spent up to now is 46.6 secs Computing kpt #: 266 total cpu time spent up to now is 46.8 secs Computing kpt #: 267 total cpu time spent up to now is 47.0 secs Computing kpt #: 268 total cpu time spent up to now is 47.2 secs Computing kpt #: 269 total cpu time spent up to now is 47.3 secs Computing kpt #: 270 total cpu time spent up to now is 47.5 secs Computing kpt #: 271 total cpu time spent up to now is 47.7 secs Computing kpt #: 272 total cpu time spent up to now is 47.9 secs Computing kpt #: 273 total cpu time spent up to now is 48.0 secs Computing kpt #: 274 total cpu time spent up to now is 48.2 secs Computing kpt #: 275 total cpu time spent up to now is 48.4 secs Computing kpt #: 276 total cpu time spent up to now is 48.6 secs Computing kpt #: 277 total cpu time spent up to now is 48.7 secs Computing kpt #: 278 total cpu time spent up to now is 48.9 secs Computing kpt #: 279 total cpu time spent up to now is 49.1 secs Computing kpt #: 280 total cpu time spent up to now is 49.2 secs Computing kpt #: 281 total cpu time spent up to now is 49.4 secs Computing kpt #: 282 total cpu time spent up to now is 49.6 secs Computing kpt #: 283 total cpu time spent up to now is 49.8 secs Computing kpt #: 284 total cpu time spent up to now is 49.9 secs Computing kpt #: 285 total cpu time spent up to now is 50.1 secs Computing kpt #: 286 total cpu time spent up to now is 50.3 secs Computing kpt #: 287 total cpu time spent up to now is 50.5 secs Computing kpt #: 288 total cpu time spent up to now is 50.6 secs Computing kpt #: 289 total cpu time spent up to now is 50.8 secs Computing kpt #: 290 total cpu time spent up to now is 51.0 secs Computing kpt #: 291 total cpu time spent up to now is 51.1 secs Computing kpt #: 292 total cpu time spent up to now is 51.3 secs Computing kpt #: 293 total cpu time spent up to now is 51.5 secs Computing kpt #: 294 total cpu time spent up to now is 51.6 secs Computing kpt #: 295 total cpu time spent up to now is 51.8 secs Computing kpt #: 296 total cpu time spent up to now is 52.0 secs Computing kpt #: 297 total cpu time spent up to now is 52.1 secs Computing kpt #: 298 total cpu time spent up to now is 52.3 secs Computing kpt #: 299 total cpu time spent up to now is 52.4 secs Computing kpt #: 300 total cpu time spent up to now is 52.6 secs Computing kpt #: 301 total cpu time spent up to now is 52.8 secs Computing kpt #: 302 total cpu time spent up to now is 52.9 secs Computing kpt #: 303 total cpu time spent up to now is 53.1 secs Computing kpt #: 304 total cpu time spent up to now is 53.3 secs Computing kpt #: 305 total cpu time spent up to now is 53.4 secs Computing kpt #: 306 total cpu time spent up to now is 53.6 secs Computing kpt #: 307 total cpu time spent up to now is 53.8 secs Computing kpt #: 308 total cpu time spent up to now is 53.9 secs Computing kpt #: 309 total cpu time spent up to now is 54.1 secs Computing kpt #: 310 total cpu time spent up to now is 54.2 secs Computing kpt #: 311 total cpu time spent up to now is 54.4 secs Computing kpt #: 312 total cpu time spent up to now is 54.6 secs Computing kpt #: 313 total cpu time spent up to now is 54.7 secs Computing kpt #: 314 total cpu time spent up to now is 54.9 secs Computing kpt #: 315 total cpu time spent up to now is 55.1 secs Computing kpt #: 316 total cpu time spent up to now is 55.2 secs Computing kpt #: 317 total cpu time spent up to now is 55.4 secs Computing kpt #: 318 total cpu time spent up to now is 55.6 secs Computing kpt #: 319 total cpu time spent up to now is 55.7 secs Computing kpt #: 320 total cpu time spent up to now is 55.9 secs Computing kpt #: 321 total cpu time spent up to now is 56.1 secs Computing kpt #: 322 total cpu time spent up to now is 56.3 secs Computing kpt #: 323 total cpu time spent up to now is 56.4 secs Computing kpt #: 324 total cpu time spent up to now is 56.6 secs Computing kpt #: 325 total cpu time spent up to now is 56.9 secs Computing kpt #: 326 total cpu time spent up to now is 57.0 secs Computing kpt #: 327 total cpu time spent up to now is 57.2 secs Computing kpt #: 328 total cpu time spent up to now is 57.4 secs Computing kpt #: 329 total cpu time spent up to now is 57.6 secs Computing kpt #: 330 total cpu time spent up to now is 57.8 secs Computing kpt #: 331 total cpu time spent up to now is 58.0 secs Computing kpt #: 332 total cpu time spent up to now is 58.2 secs Computing kpt #: 333 total cpu time spent up to now is 58.5 secs Computing kpt #: 334 total cpu time spent up to now is 58.7 secs Computing kpt #: 335 total cpu time spent up to now is 58.9 secs Computing kpt #: 336 total cpu time spent up to now is 59.2 secs Computing kpt #: 337 total cpu time spent up to now is 59.4 secs Computing kpt #: 338 total cpu time spent up to now is 59.6 secs Computing kpt #: 339 total cpu time spent up to now is 59.8 secs Computing kpt #: 340 total cpu time spent up to now is 59.9 secs Computing kpt #: 341 total cpu time spent up to now is 60.1 secs Computing kpt #: 342 total cpu time spent up to now is 60.3 secs Computing kpt #: 343 total cpu time spent up to now is 60.5 secs Computing kpt #: 344 total cpu time spent up to now is 60.7 secs Computing kpt #: 345 total cpu time spent up to now is 60.8 secs Computing kpt #: 346 total cpu time spent up to now is 61.0 secs Computing kpt #: 347 total cpu time spent up to now is 61.2 secs Computing kpt #: 348 total cpu time spent up to now is 61.4 secs Computing kpt #: 349 total cpu time spent up to now is 61.6 secs Computing kpt #: 350 total cpu time spent up to now is 61.7 secs Computing kpt #: 351 total cpu time spent up to now is 61.9 secs Computing kpt #: 352 total cpu time spent up to now is 62.1 secs Computing kpt #: 353 total cpu time spent up to now is 62.2 secs Computing kpt #: 354 total cpu time spent up to now is 62.4 secs Computing kpt #: 355 total cpu time spent up to now is 62.6 secs Computing kpt #: 356 total cpu time spent up to now is 62.8 secs Computing kpt #: 357 total cpu time spent up to now is 63.0 secs Computing kpt #: 358 total cpu time spent up to now is 63.2 secs Computing kpt #: 359 total cpu time spent up to now is 63.3 secs Computing kpt #: 360 total cpu time spent up to now is 63.5 secs Computing kpt #: 361 total cpu time spent up to now is 63.6 secs Computing kpt #: 362 total cpu time spent up to now is 63.8 secs Computing kpt #: 363 total cpu time spent up to now is 64.0 secs Computing kpt #: 364 total cpu time spent up to now is 64.2 secs Computing kpt #: 365 total cpu time spent up to now is 64.4 secs Computing kpt #: 366 total cpu time spent up to now is 64.6 secs Computing kpt #: 367 total cpu time spent up to now is 64.8 secs Computing kpt #: 368 total cpu time spent up to now is 65.0 secs Computing kpt #: 369 total cpu time spent up to now is 65.2 secs Computing kpt #: 370 total cpu time spent up to now is 65.4 secs Computing kpt #: 371 total cpu time spent up to now is 65.6 secs Computing kpt #: 372 total cpu time spent up to now is 65.8 secs Computing kpt #: 373 total cpu time spent up to now is 66.0 secs Computing kpt #: 374 total cpu time spent up to now is 66.1 secs Computing kpt #: 375 total cpu time spent up to now is 66.3 secs Computing kpt #: 376 total cpu time spent up to now is 66.5 secs Computing kpt #: 377 total cpu time spent up to now is 66.6 secs Computing kpt #: 378 total cpu time spent up to now is 66.8 secs Computing kpt #: 379 total cpu time spent up to now is 67.0 secs Computing kpt #: 380 total cpu time spent up to now is 67.1 secs Computing kpt #: 381 total cpu time spent up to now is 67.3 secs Computing kpt #: 382 total cpu time spent up to now is 67.5 secs Computing kpt #: 383 total cpu time spent up to now is 67.7 secs Computing kpt #: 384 total cpu time spent up to now is 67.9 secs Computing kpt #: 385 total cpu time spent up to now is 68.1 secs Computing kpt #: 386 total cpu time spent up to now is 68.2 secs Computing kpt #: 387 total cpu time spent up to now is 68.4 secs Computing kpt #: 388 total cpu time spent up to now is 68.6 secs Computing kpt #: 389 total cpu time spent up to now is 68.8 secs Computing kpt #: 390 total cpu time spent up to now is 68.9 secs Computing kpt #: 391 total cpu time spent up to now is 69.1 secs Computing kpt #: 392 total cpu time spent up to now is 69.3 secs Computing kpt #: 393 total cpu time spent up to now is 69.4 secs Computing kpt #: 394 total cpu time spent up to now is 69.6 secs Computing kpt #: 395 total cpu time spent up to now is 69.8 secs Computing kpt #: 396 total cpu time spent up to now is 69.9 secs Computing kpt #: 397 total cpu time spent up to now is 70.1 secs Computing kpt #: 398 total cpu time spent up to now is 70.3 secs Computing kpt #: 399 total cpu time spent up to now is 70.4 secs Computing kpt #: 400 total cpu time spent up to now is 70.6 secs Computing kpt #: 401 total cpu time spent up to now is 70.8 secs Computing kpt #: 402 total cpu time spent up to now is 70.9 secs Computing kpt #: 403 total cpu time spent up to now is 71.1 secs Computing kpt #: 404 total cpu time spent up to now is 71.3 secs Computing kpt #: 405 total cpu time spent up to now is 71.4 secs Computing kpt #: 406 total cpu time spent up to now is 71.6 secs Computing kpt #: 407 total cpu time spent up to now is 71.8 secs Computing kpt #: 408 total cpu time spent up to now is 71.9 secs Computing kpt #: 409 total cpu time spent up to now is 72.1 secs Computing kpt #: 410 total cpu time spent up to now is 72.3 secs Computing kpt #: 411 total cpu time spent up to now is 72.4 secs Computing kpt #: 412 total cpu time spent up to now is 72.6 secs Computing kpt #: 413 total cpu time spent up to now is 72.7 secs Computing kpt #: 414 total cpu time spent up to now is 72.9 secs Computing kpt #: 415 total cpu time spent up to now is 73.1 secs Computing kpt #: 416 total cpu time spent up to now is 73.2 secs Computing kpt #: 417 total cpu time spent up to now is 73.4 secs Computing kpt #: 418 total cpu time spent up to now is 73.5 secs Computing kpt #: 419 total cpu time spent up to now is 73.7 secs Computing kpt #: 420 total cpu time spent up to now is 73.9 secs Computing kpt #: 421 total cpu time spent up to now is 74.0 secs Computing kpt #: 422 total cpu time spent up to now is 74.2 secs Computing kpt #: 423 total cpu time spent up to now is 74.4 secs Computing kpt #: 424 total cpu time spent up to now is 74.5 secs Computing kpt #: 425 total cpu time spent up to now is 74.7 secs Computing kpt #: 426 total cpu time spent up to now is 74.8 secs Computing kpt #: 427 total cpu time spent up to now is 75.0 secs Computing kpt #: 428 total cpu time spent up to now is 75.2 secs Computing kpt #: 429 total cpu time spent up to now is 75.3 secs Computing kpt #: 430 total cpu time spent up to now is 75.5 secs Computing kpt #: 431 total cpu time spent up to now is 75.6 secs Computing kpt #: 432 total cpu time spent up to now is 75.8 secs Computing kpt #: 433 total cpu time spent up to now is 76.0 secs Computing kpt #: 434 total cpu time spent up to now is 76.2 secs Computing kpt #: 435 total cpu time spent up to now is 76.3 secs Computing kpt #: 436 total cpu time spent up to now is 76.5 secs Computing kpt #: 437 total cpu time spent up to now is 76.7 secs Computing kpt #: 438 total cpu time spent up to now is 76.8 secs Computing kpt #: 439 total cpu time spent up to now is 77.0 secs Computing kpt #: 440 total cpu time spent up to now is 77.2 secs Computing kpt #: 441 total cpu time spent up to now is 77.3 secs Computing kpt #: 442 total cpu time spent up to now is 77.5 secs Computing kpt #: 443 total cpu time spent up to now is 77.7 secs Computing kpt #: 444 total cpu time spent up to now is 77.8 secs Computing kpt #: 445 total cpu time spent up to now is 78.0 secs Computing kpt #: 446 total cpu time spent up to now is 78.2 secs Computing kpt #: 447 total cpu time spent up to now is 78.3 secs Computing kpt #: 448 total cpu time spent up to now is 78.5 secs Computing kpt #: 449 total cpu time spent up to now is 78.7 secs Computing kpt #: 450 total cpu time spent up to now is 78.9 secs Computing kpt #: 451 total cpu time spent up to now is 79.1 secs Computing kpt #: 452 total cpu time spent up to now is 79.2 secs Computing kpt #: 453 total cpu time spent up to now is 79.4 secs Computing kpt #: 454 total cpu time spent up to now is 79.6 secs Computing kpt #: 455 total cpu time spent up to now is 79.8 secs Computing kpt #: 456 total cpu time spent up to now is 79.9 secs Computing kpt #: 457 total cpu time spent up to now is 80.1 secs Computing kpt #: 458 total cpu time spent up to now is 80.3 secs Computing kpt #: 459 total cpu time spent up to now is 80.5 secs Computing kpt #: 460 total cpu time spent up to now is 80.6 secs Computing kpt #: 461 total cpu time spent up to now is 80.8 secs Computing kpt #: 462 total cpu time spent up to now is 81.0 secs Computing kpt #: 463 total cpu time spent up to now is 81.2 secs Computing kpt #: 464 total cpu time spent up to now is 81.4 secs Computing kpt #: 465 total cpu time spent up to now is 81.5 secs Computing kpt #: 466 total cpu time spent up to now is 81.7 secs Computing kpt #: 467 total cpu time spent up to now is 81.9 secs ethr = 4.17E-08, avg # of iterations = 17.1 total cpu time spent up to now is 81.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4762 -13.4762 -5.9370 -5.9370 -0.7226 -0.7226 0.9194 0.9194 1.2739 1.2739 2.4060 2.4060 3.1864 3.1864 3.2220 3.2220 3.3484 3.3484 4.2527 4.2527 6.0258 6.0258 8.8870 8.8870 10.3165 10.3165 14.3365 14.3365 17.6381 17.6381 19.2268 19.2268 k = 0.0070 0.0085-0.0022 ( 1527 PWs) bands (ev): -13.4758 -13.4758 -5.9381 -5.9381 -0.7215 -0.7215 0.9195 0.9195 1.2739 1.2739 2.4039 2.4039 3.1655 3.1655 3.2381 3.2381 3.3519 3.3519 4.2543 4.2543 6.0291 6.0291 8.8864 8.8864 10.3161 10.3161 14.3372 14.3372 17.6345 17.6345 19.2137 19.2137 k = 0.0139 0.0170-0.0044 ( 1517 PWs) bands (ev): -13.4746 -13.4746 -5.9414 -5.9414 -0.7183 -0.7183 0.9195 0.9195 1.2742 1.2742 2.3977 2.3977 3.1310 3.1310 3.2578 3.2578 3.3629 3.3629 4.2592 4.2592 6.0388 6.0388 8.8846 8.8846 10.3149 10.3149 14.3397 14.3397 17.6234 17.6234 19.1773 19.1773 k = 0.0209 0.0255-0.0066 ( 1517 PWs) bands (ev): -13.4725 -13.4725 -5.9469 -5.9469 -0.7129 -0.7129 0.9195 0.9195 1.2747 1.2747 2.3873 2.3873 3.0942 3.0942 3.2701 3.2701 3.3809 3.3809 4.2673 4.2673 6.0548 6.0548 8.8815 8.8815 10.3129 10.3129 14.3438 14.3438 17.6045 17.6045 19.1245 19.1245 k = 0.0278 0.0340-0.0088 ( 1517 PWs) bands (ev): -13.4697 -13.4697 -5.9545 -5.9545 -0.7053 -0.7053 0.9194 0.9194 1.2754 1.2754 2.3728 2.3728 3.0574 3.0574 3.2758 3.2758 3.4035 3.4035 4.2785 4.2785 6.0770 6.0770 8.8772 8.8772 10.3104 10.3104 14.3494 14.3494 17.5770 17.5770 19.0633 19.0633 k = 0.0348 0.0425-0.0110 ( 1519 PWs) bands (ev): -13.4661 -13.4661 -5.9642 -5.9642 -0.6957 -0.6957 0.9191 0.9191 1.2763 1.2763 2.3542 2.3542 3.0217 3.0217 3.2771 3.2771 3.4275 3.4275 4.2927 4.2927 6.1050 6.1050 8.8717 8.8717 10.3073 10.3073 14.3564 14.3564 17.5399 17.5399 19.0008 19.0008 k = 0.0418 0.0510-0.0132 ( 1519 PWs) bands (ev): -13.4618 -13.4618 -5.9758 -5.9758 -0.6839 -0.6839 0.9183 0.9183 1.2774 1.2774 2.3317 2.3317 2.9880 2.9880 3.2755 3.2755 3.4510 3.4510 4.3096 4.3096 6.1385 6.1385 8.8650 8.8650 10.3040 10.3040 14.3649 14.3649 17.4928 17.4928 18.9422 18.9422 k = 0.0487 0.0595-0.0154 ( 1519 PWs) bands (ev): -13.4567 -13.4567 -5.9895 -5.9895 -0.6702 -0.6702 0.9170 0.9170 1.2788 1.2788 2.3055 2.3055 2.9567 2.9567 3.2718 3.2718 3.4728 3.4728 4.3292 4.3292 6.1770 6.1770 8.8571 8.8571 10.3006 10.3006 14.3748 14.3748 17.4351 17.4351 18.8912 18.8912 k = 0.0557 0.0680-0.0176 ( 1519 PWs) bands (ev): -13.4508 -13.4508 -6.0049 -6.0049 -0.6544 -0.6544 0.9150 0.9150 1.2804 1.2804 2.2761 2.2761 2.9282 2.9282 3.2666 3.2666 3.4925 3.4925 4.3511 4.3511 6.2200 6.2200 8.8481 8.8481 10.2974 10.2974 14.3859 14.3859 17.3670 17.3670 18.8499 18.8499 k = 0.0626 0.0765-0.0197 ( 1519 PWs) bands (ev): -13.4443 -13.4443 -6.0221 -6.0221 -0.6367 -0.6367 0.9121 0.9121 1.2822 1.2822 2.2438 2.2438 2.9029 2.9029 3.2599 3.2599 3.5100 3.5100 4.3752 4.3752 6.2670 6.2670 8.8379 8.8379 10.2946 10.2946 14.3982 14.3982 17.2892 17.2892 18.8192 18.8192 k = 0.0696 0.0850-0.0219 ( 1517 PWs) bands (ev): -13.4371 -13.4371 -6.0410 -6.0410 -0.6171 -0.6171 0.9082 0.9082 1.2841 1.2841 2.2092 2.2092 2.8807 2.8807 3.2518 3.2518 3.5253 3.5253 4.4012 4.4012 6.3173 6.3173 8.8265 8.8265 10.2928 10.2928 14.4116 14.4116 17.2028 17.2028 18.7990 18.7990 k = 0.0766 0.0935-0.0241 ( 1513 PWs) bands (ev): -13.4293 -13.4293 -6.0613 -6.0613 -0.5956 -0.5956 0.9031 0.9031 1.2861 1.2861 2.1731 2.1731 2.8617 2.8617 3.2425 3.2425 3.5386 3.5386 4.4287 4.4287 6.3702 6.3702 8.8141 8.8141 10.2921 10.2921 14.4258 14.4258 17.1092 17.1092 18.7888 18.7888 k = 0.0835 0.1020-0.0263 ( 1511 PWs) bands (ev): -13.4208 -13.4208 -6.0830 -6.0830 -0.5724 -0.5724 0.8968 0.8968 1.2880 1.2880 2.1359 2.1359 2.8456 2.8456 3.2318 3.2318 3.5502 3.5502 4.4575 4.4575 6.4251 6.4251 8.8005 8.8005 10.2929 10.2929 14.4409 14.4409 17.0099 17.0099 18.7873 18.7873 k = 0.0905 0.1105-0.0285 ( 1507 PWs) bands (ev): -13.4118 -13.4118 -6.1058 -6.1058 -0.5475 -0.5475 0.8891 0.8891 1.2896 1.2896 2.0982 2.0982 2.8324 2.8324 3.2200 3.2200 3.5604 3.5604 4.4874 4.4874 6.4812 6.4812 8.7860 8.7860 10.2957 10.2957 14.4566 14.4566 16.9064 16.9064 18.7935 18.7935 k = 0.0974 0.1190-0.0307 ( 1505 PWs) bands (ev): -13.4024 -13.4024 -6.1298 -6.1298 -0.5209 -0.5209 0.8802 0.8802 1.2908 1.2908 2.0607 2.0607 2.8217 2.8217 3.2070 3.2070 3.5696 3.5696 4.5181 4.5181 6.5378 6.5378 8.7704 8.7704 10.3008 10.3008 14.4729 14.4729 16.8002 16.8002 18.8062 18.8062 k = 0.1044 0.1275-0.0329 ( 1503 PWs) bands (ev): -13.3924 -13.3924 -6.1547 -6.1547 -0.4929 -0.4929 0.8699 0.8699 1.2914 1.2914 2.0237 2.0237 2.8135 2.8135 3.1929 3.1929 3.5780 3.5780 4.5493 4.5493 6.5941 6.5941 8.7539 8.7539 10.3086 10.3086 14.4896 14.4896 16.6923 16.6923 18.8242 18.8242 k = 0.1114 0.1360-0.0351 ( 1501 PWs) bands (ev): -13.3820 -13.3820 -6.1804 -6.1804 -0.4634 -0.4634 0.8583 0.8583 1.2913 1.2913 1.9877 1.9877 2.8074 2.8074 3.1780 3.1780 3.5860 3.5860 4.5808 4.5808 6.6495 6.6495 8.7364 8.7364 10.3195 10.3195 14.5067 14.5067 16.5838 16.5838 18.8464 18.8464 k = 0.1183 0.1445-0.0373 ( 1497 PWs) bands (ev): -13.3712 -13.3712 -6.2066 -6.2066 -0.4326 -0.4326 0.8456 0.8456 1.2904 1.2904 1.9528 1.9528 2.8032 2.8032 3.1625 3.1625 3.5939 3.5939 4.6124 4.6124 6.7033 6.7033 8.7182 8.7182 10.3338 10.3338 14.5239 14.5239 16.4755 16.4755 18.8717 18.8717 k = 0.1253 0.1530-0.0395 ( 1497 PWs) bands (ev): -13.3602 -13.3602 -6.2334 -6.2334 -0.4005 -0.4005 0.8317 0.8317 1.2885 1.2885 1.9193 1.9193 2.8006 2.8006 3.1466 3.1466 3.6018 3.6018 4.6438 4.6438 6.7550 6.7550 8.6992 8.6992 10.3519 10.3519 14.5413 14.5413 16.3681 16.3681 18.8993 18.8993 k = 0.1322 0.1615-0.0417 ( 1497 PWs) bands (ev): -13.3488 -13.3488 -6.2604 -6.2604 -0.3673 -0.3673 0.8170 0.8170 1.2856 1.2856 1.8872 1.8872 2.7992 2.7992 3.1307 3.1307 3.6100 3.6100 4.6749 4.6749 6.8040 6.8040 8.6795 8.6795 10.3739 10.3739 14.5586 14.5586 16.2621 16.2621 18.9279 18.9279 k = 0.1392 0.1700-0.0439 ( 1494 PWs) bands (ev): -13.3373 -13.3373 -6.2876 -6.2876 -0.3331 -0.3331 0.8015 0.8015 1.2818 1.2818 1.8565 1.8565 2.7986 2.7986 3.1152 3.1152 3.6187 3.6187 4.7053 4.7053 6.8498 6.8498 8.6592 8.6592 10.4001 10.4001 14.5759 14.5759 16.1580 16.1580 18.9567 18.9567 k = 0.1462 0.1785-0.0461 ( 1494 PWs) bands (ev): -13.3256 -13.3256 -6.3147 -6.3147 -0.2980 -0.2980 0.7854 0.7854 1.2771 1.2771 1.8271 1.8271 2.7983 2.7983 3.1006 3.1006 3.6280 3.6280 4.7350 4.7350 6.8922 6.8922 8.6383 8.6383 10.4306 10.4306 14.5929 14.5929 16.0562 16.0562 18.9842 18.9842 k = 0.1531 0.1870-0.0483 ( 1494 PWs) bands (ev): -13.3138 -13.3138 -6.3417 -6.3417 -0.2622 -0.2622 0.7689 0.7689 1.2717 1.2717 1.7988 1.7988 2.7979 2.7979 3.0874 3.0874 3.6381 3.6381 4.7636 4.7636 6.9308 6.9308 8.6171 8.6171 10.4653 10.4653 14.6097 14.6097 15.9571 15.9571 19.0091 19.0091 k = 0.1601 0.1955-0.0505 ( 1498 PWs) bands (ev): -13.3020 -13.3020 -6.3683 -6.3683 -0.2258 -0.2258 0.7523 0.7523 1.2657 1.2657 1.7714 1.7714 2.7968 2.7968 3.0759 3.0759 3.6490 3.6490 4.7910 4.7910 6.9656 6.9656 8.5956 8.5956 10.5042 10.5042 14.6261 14.6261 15.8608 15.8608 19.0297 19.0297 k = 0.1670 0.2040-0.0527 ( 1493 PWs) bands (ev): -13.2903 -13.2903 -6.3945 -6.3945 -0.1889 -0.1889 0.7358 0.7358 1.2593 1.2593 1.7449 1.7449 2.7946 2.7946 3.0667 3.0667 3.6608 3.6608 4.8170 4.8170 6.9965 6.9965 8.5739 8.5739 10.5470 10.5470 14.6422 14.6422 15.7675 15.7675 19.0439 19.0439 k = 0.1740 0.2125-0.0549 ( 1491 PWs) bands (ev): -13.2786 -13.2786 -6.4200 -6.4200 -0.1519 -0.1519 0.7195 0.7195 1.2527 1.2527 1.7188 1.7188 2.7910 2.7910 3.0599 3.0599 3.6735 3.6735 4.8414 4.8414 7.0236 7.0236 8.5521 8.5521 10.5933 10.5933 14.6578 14.6578 15.6775 15.6775 19.0489 19.0489 k = 0.1810 0.2210-0.0570 ( 1488 PWs) bands (ev): -13.2671 -13.2671 -6.4447 -6.4447 -0.1149 -0.1149 0.7038 0.7038 1.2461 1.2461 1.6933 1.6933 2.7858 2.7858 3.0556 3.0556 3.6873 3.6873 4.8639 4.8639 7.0470 7.0470 8.5305 8.5305 10.6428 10.6428 14.6728 14.6728 15.5909 15.5909 19.0416 19.0416 k = 0.1879 0.2295-0.0592 ( 1488 PWs) bands (ev): -13.2558 -13.2558 -6.4686 -6.4686 -0.0780 -0.0780 0.6888 0.6888 1.2396 1.2396 1.6680 1.6680 2.7791 2.7791 3.0536 3.0536 3.7020 3.7020 4.8844 4.8844 7.0669 7.0669 8.5091 8.5091 10.6949 10.6949 14.6873 14.6873 15.5078 15.5078 19.0186 19.0186 k = 0.1949 0.2380-0.0614 ( 1489 PWs) bands (ev): -13.2448 -13.2448 -6.4914 -6.4914 -0.0416 -0.0416 0.6747 0.6747 1.2336 1.2336 1.6430 1.6430 2.7713 2.7713 3.0534 3.0534 3.7176 3.7176 4.9028 4.9028 7.0838 7.0838 8.4881 8.4881 10.7490 10.7490 14.7011 14.7011 15.4281 15.4281 18.9770 18.9770 k = 0.2019 0.2465-0.0636 ( 1491 PWs) bands (ev): -13.2341 -13.2341 -6.5131 -6.5131 -0.0059 -0.0059 0.6616 0.6616 1.2281 1.2281 1.6183 1.6183 2.7626 2.7626 3.0547 3.0547 3.7341 3.7341 4.9188 4.9188 7.0978 7.0978 8.4676 8.4676 10.8045 10.8045 14.7142 14.7142 15.3521 15.3521 18.9156 18.9156 k = 0.2088 0.2550-0.0658 ( 1491 PWs) bands (ev): -13.2238 -13.2238 -6.5334 -6.5334 0.0289 0.0289 0.6497 0.6497 1.2233 1.2233 1.5940 1.5940 2.7535 2.7535 3.0569 3.0569 3.7514 3.7514 4.9323 4.9323 7.1093 7.1093 8.4478 8.4478 10.8606 10.8606 14.7266 14.7266 15.2797 15.2797 18.8357 18.8357 k = 0.2158 0.2635-0.0680 ( 1493 PWs) bands (ev): -13.2139 -13.2139 -6.5525 -6.5525 0.0626 0.0626 0.6391 0.6391 1.2194 1.2194 1.5700 1.5700 2.7444 2.7444 3.0594 3.0594 3.7694 3.7694 4.9431 4.9431 7.1189 7.1189 8.4289 8.4289 10.9167 10.9167 14.7382 14.7382 15.2109 15.2109 18.7404 18.7404 k = 0.2227 0.2720-0.0702 ( 1494 PWs) bands (ev): -13.2046 -13.2046 -6.5700 -6.5700 0.0948 0.0948 0.6296 0.6296 1.2166 1.2166 1.5467 1.5467 2.7357 2.7357 3.0620 3.0620 3.7878 3.7878 4.9511 4.9511 7.1267 7.1267 8.4110 8.4110 10.9719 10.9719 14.7491 14.7491 15.1459 15.1459 18.6341 18.6341 k = 0.2297 0.2805-0.0724 ( 1490 PWs) bands (ev): -13.1957 -13.1957 -6.5860 -6.5860 0.1253 0.1253 0.6214 0.6214 1.2151 1.2151 1.5241 1.5241 2.7277 2.7277 3.0641 3.0641 3.8065 3.8065 4.9562 4.9562 7.1333 7.1333 8.3942 8.3942 11.0254 11.0254 14.7590 14.7590 15.0844 15.0844 18.5212 18.5212 k = 0.2367 0.2890-0.0746 ( 1492 PWs) bands (ev): -13.1875 -13.1875 -6.6003 -6.6003 0.1540 0.1540 0.6140 0.6140 1.2149 1.2149 1.5026 1.5026 2.7207 2.7207 3.0656 3.0656 3.8253 3.8253 4.9583 4.9583 7.1389 7.1389 8.3788 8.3788 11.0764 11.0764 14.7679 14.7679 15.0267 15.0267 18.4053 18.4053 k = 0.2436 0.2975-0.0768 ( 1492 PWs) bands (ev): -13.1799 -13.1799 -6.6130 -6.6130 0.1808 0.1808 0.6075 0.6075 1.2164 1.2164 1.4823 1.4823 2.7149 2.7149 3.0663 3.0663 3.8440 3.8440 4.9572 4.9572 7.1438 7.1438 8.3647 8.3647 11.1244 11.1244 14.7756 14.7756 14.9726 14.9726 18.2893 18.2893 k = 0.2506 0.3060-0.0790 ( 1494 PWs) bands (ev): -13.1729 -13.1729 -6.6238 -6.6238 0.2055 0.2055 0.6013 0.6013 1.2197 1.2197 1.4636 1.4636 2.7104 2.7104 3.0659 3.0659 3.8623 3.8623 4.9531 4.9531 7.1483 7.1483 8.3522 8.3522 11.1685 11.1685 14.7818 14.7818 14.9223 14.9223 18.1757 18.1757 k = 0.2575 0.3145-0.0812 ( 1498 PWs) bands (ev): -13.1666 -13.1666 -6.6329 -6.6329 0.2282 0.2282 0.5951 0.5951 1.2250 1.2250 1.4466 1.4466 2.7075 2.7075 3.0646 3.0646 3.8800 3.8800 4.9458 4.9458 7.1527 7.1527 8.3413 8.3413 11.2081 11.2081 14.7857 14.7857 14.8766 14.8766 18.0662 18.0662 k = 0.2645 0.3230-0.0834 ( 1494 PWs) bands (ev): -13.1610 -13.1610 -6.6401 -6.6401 0.2490 0.2490 0.5886 0.5886 1.2324 1.2324 1.4316 1.4316 2.7062 2.7062 3.0621 3.0621 3.8969 3.8969 4.9354 4.9354 7.1569 7.1570 8.3322 8.3322 11.2427 11.2427 14.7844 14.7844 14.8381 14.8381 17.9622 17.9622 k = 0.2715 0.3315-0.0856 ( 1494 PWs) bands (ev): -13.1561 -13.1561 -6.6454 -6.6454 0.2678 0.2678 0.5813 0.5813 1.2418 1.2418 1.4187 1.4187 2.7067 2.7067 3.0587 3.0587 3.9129 3.9129 4.9219 4.9219 7.1613 7.1613 8.3247 8.3247 11.2717 11.2717 14.7684 14.7684 14.8161 14.8161 17.8650 17.8650 k = 0.2784 0.3400-0.0878 ( 1494 PWs) bands (ev): -13.1520 -13.1520 -6.6489 -6.6489 0.2848 0.2848 0.5732 0.5732 1.2534 1.2534 1.4082 1.4082 2.7090 2.7090 3.0542 3.0542 3.9275 3.9275 4.9054 4.9054 7.1656 7.1656 8.3191 8.3191 11.2948 11.2948 14.7378 14.7378 14.8101 14.8101 17.7754 17.7754 k = 0.2854 0.3485-0.0900 ( 1494 PWs) bands (ev): -13.1486 -13.1486 -6.6505 -6.6505 0.2998 0.2998 0.5642 0.5642 1.2667 1.2667 1.4003 1.4003 2.7131 2.7131 3.0489 3.0489 3.9408 3.9408 4.8861 4.8861 7.1701 7.1701 8.3153 8.3153 11.3118 11.3118 14.7048 14.7048 14.8080 14.8080 17.6939 17.6939 k = 0.2923 0.3570-0.0922 ( 1494 PWs) bands (ev): -13.1459 -13.1459 -6.6502 -6.6502 0.3129 0.3129 0.5545 0.5545 1.2814 1.2814 1.3952 1.3952 2.7191 2.7191 3.0428 3.0428 3.9524 3.9524 4.8640 4.8640 7.1745 7.1745 8.3132 8.3132 11.3226 11.3226 14.6731 14.6731 14.8056 14.8056 17.6211 17.6211 k = 0.2993 0.3655-0.0943 ( 1501 PWs) bands (ev): -13.1440 -13.1440 -6.6481 -6.6481 0.3234 0.3234 0.5449 0.5449 1.2966 1.2966 1.3934 1.3934 2.7270 2.7270 3.0361 3.0361 3.9623 3.9623 4.8394 4.8394 7.1786 7.1786 8.3128 8.3128 11.3272 11.3272 14.6434 14.6434 14.8020 14.8020 17.5571 17.5571 k = 0.3063 0.3740-0.0965 ( 1501 PWs) bands (ev): -13.1428 -13.1428 -6.6442 -6.6442 0.3307 0.3307 0.5363 0.5363 1.3112 1.3112 1.3958 1.3958 2.7368 2.7368 3.0291 3.0291 3.9702 3.9702 4.8125 4.8125 7.1824 7.1824 8.3142 8.3142 11.3258 11.3258 14.6159 14.6159 14.7968 14.7968 17.5020 17.5020 k = 0.3132 0.3825-0.0987 ( 1501 PWs) bands (ev): -13.1423 -13.1423 -6.6385 -6.6385 0.3339 0.3339 0.5299 0.5299 1.3236 1.3236 1.4037 1.4037 2.7483 2.7483 3.0217 3.0217 3.9760 3.9760 4.7835 4.7835 7.1857 7.1857 8.3172 8.3172 11.3188 11.3188 14.5905 14.5905 14.7898 14.7898 17.4556 17.4556 k = 0.3202 0.3910-0.1009 ( 1501 PWs) bands (ev): -13.1424 -13.1424 -6.6311 -6.6311 0.3320 0.3320 0.5271 0.5271 1.3326 1.3326 1.4175 1.4175 2.7615 2.7615 3.0145 3.0145 3.9796 3.9796 4.7528 4.7528 7.1880 7.1880 8.3217 8.3217 11.3064 11.3064 14.5672 14.5672 14.7811 14.7811 17.4176 17.4176 k = 0.3271 0.3995-0.1031 ( 1503 PWs) bands (ev): -13.1433 -13.1433 -6.6221 -6.6221 0.3244 0.3244 0.5288 0.5288 1.3387 1.3387 1.4367 1.4367 2.7761 2.7761 3.0075 3.0075 3.9807 3.9807 4.7207 4.7207 7.1892 7.1892 8.3276 8.3276 11.2894 11.2894 14.5456 14.5456 14.7707 14.7707 17.3874 17.3874 k = 0.3341 0.4080-0.1053 ( 1501 PWs) bands (ev): -13.1447 -13.1447 -6.6116 -6.6116 0.3115 0.3115 0.5349 0.5349 1.3428 1.3428 1.4598 1.4598 2.7919 2.7919 3.0012 3.0012 3.9793 3.9793 4.6874 4.6874 7.1890 7.1890 8.3349 8.3349 11.2684 11.2684 14.5257 14.5257 14.7586 14.7586 17.3643 17.3643 k = 0.3411 0.4165-0.1075 ( 1499 PWs) bands (ev): -13.1468 -13.1468 -6.5996 -6.5996 0.2939 0.2939 0.5450 0.5450 1.3459 1.3459 1.4857 1.4857 2.8082 2.8082 2.9961 2.9961 3.9752 3.9752 4.6535 4.6535 7.1871 7.1871 8.3434 8.3434 11.2440 11.2440 14.5073 14.5073 14.7450 14.7450 17.3477 17.3477 k = 0.3480 0.4250-0.1097 ( 1499 PWs) bands (ev): -13.1494 -13.1494 -6.5862 -6.5862 0.2728 0.2728 0.5582 0.5582 1.3483 1.3483 1.5138 1.5138 2.8246 2.8246 2.9926 2.9926 3.9683 3.9683 4.6192 4.6192 7.1832 7.1832 8.3531 8.3531 11.2170 11.2170 14.4900 14.4900 14.7302 14.7302 17.3366 17.3366 k = 0.3550 0.4335-0.1119 ( 1499 PWs) bands (ev): -13.1525 -13.1525 -6.5716 -6.5716 0.2492 0.2492 0.5737 0.5737 1.3504 1.3504 1.5436 1.5436 2.8401 2.8401 2.9915 2.9915 3.9584 3.9584 4.5850 4.5850 7.1770 7.1770 8.3637 8.3637 11.1882 11.1882 14.4737 14.4737 14.7142 14.7142 17.3300 17.3300 k = 0.3619 0.4420-0.1141 ( 1501 PWs) bands (ev): -13.1560 -13.1560 -6.5559 -6.5559 0.2237 0.2237 0.5909 0.5909 1.3523 1.3523 1.5749 1.5749 2.8537 2.8537 2.9936 2.9936 3.9456 3.9456 4.5512 4.5512 7.1683 7.1683 8.3751 8.3751 11.1584 11.1584 14.4581 14.4581 14.6974 14.6974 17.3272 17.3272 k = 0.3689 0.4505-0.1163 ( 1499 PWs) bands (ev): -13.1600 -13.1600 -6.5392 -6.5392 0.1970 0.1970 0.6092 0.6092 1.3541 1.3541 1.6077 1.6077 2.8645 2.8645 2.9996 2.9996 3.9297 3.9297 4.5182 4.5182 7.1569 7.1569 8.3874 8.3874 11.1282 11.1282 14.4428 14.4428 14.6803 14.6803 17.3271 17.3271 k = 0.3759 0.4590-0.1185 ( 1497 PWs) bands (ev): -13.1643 -13.1643 -6.5216 -6.5216 0.1694 0.1694 0.6283 0.6283 1.3560 1.3560 1.6418 1.6418 2.8721 2.8721 3.0096 3.0096 3.9109 3.9109 4.4862 4.4862 7.1428 7.1428 8.4002 8.4002 11.0983 11.0983 14.4277 14.4277 14.6629 14.6629 17.3289 17.3289 k = 0.3828 0.4675-0.1207 ( 1495 PWs) bands (ev): -13.1690 -13.1690 -6.5033 -6.5033 0.1412 0.1412 0.6479 0.6479 1.3580 1.3580 1.6774 1.6774 2.8768 2.8768 3.0228 3.0228 3.8893 3.8893 4.4554 4.4554 7.1259 7.1259 8.4136 8.4136 11.0694 11.0694 14.4124 14.4124 14.6457 14.6457 17.3317 17.3317 k = 0.3898 0.4760-0.1229 ( 1491 PWs) bands (ev): -13.1738 -13.1738 -6.4843 -6.4843 0.1128 0.1128 0.6677 0.6677 1.3604 1.3604 1.7144 1.7144 2.8793 2.8793 3.0381 3.0381 3.8653 3.8653 4.4261 4.4261 7.1062 7.1062 8.4274 8.4274 11.0419 11.0419 14.3966 14.3966 14.6291 14.6291 17.3350 17.3350 k = 0.3967 0.4845-0.1251 ( 1493 PWs) bands (ev): -13.1789 -13.1789 -6.4649 -6.4649 0.0842 0.0842 0.6874 0.6874 1.3633 1.3633 1.7528 1.7528 2.8802 2.8802 3.0541 3.0541 3.8390 3.8390 4.3982 4.3982 7.0839 7.0839 8.4414 8.4414 11.0163 11.0163 14.3800 14.3800 14.6133 14.6133 17.3382 17.3382 k = 0.4037 0.4930-0.1273 ( 1494 PWs) bands (ev): -13.1842 -13.1842 -6.4452 -6.4452 0.0556 0.0556 0.7069 0.7069 1.3669 1.3669 1.7927 1.7927 2.8804 2.8804 3.0697 3.0697 3.8111 3.8111 4.3720 4.3720 7.0591 7.0591 8.4557 8.4557 10.9928 10.9928 14.3624 14.3624 14.5987 14.5987 17.3407 17.3407 k = 0.4107 0.5015-0.1295 ( 1496 PWs) bands (ev): -13.1895 -13.1895 -6.4254 -6.4254 0.0272 0.0272 0.7259 0.7259 1.3713 1.3713 1.8341 1.8341 2.8800 2.8800 3.0837 3.0837 3.7819 3.7819 4.3473 4.3473 7.0321 7.0321 8.4701 8.4701 10.9718 10.9718 14.3437 14.3437 14.5854 14.5854 17.3423 17.3423 k = 0.4176 0.5100-0.1317 ( 1498 PWs) bands (ev): -13.1949 -13.1949 -6.4056 -6.4056 -0.0011 -0.0011 0.7443 0.7443 1.3768 1.3768 1.8770 1.8770 2.8793 2.8793 3.0955 3.0955 3.7520 3.7520 4.3242 4.3242 7.0033 7.0033 8.4844 8.4844 10.9534 10.9534 14.3237 14.3237 14.5735 14.5735 17.3429 17.3429 k = 0.4176 0.5100-0.1317 ( 1498 PWs) bands (ev): -13.1949 -13.1949 -6.4056 -6.4056 -0.0011 -0.0011 0.7443 0.7443 1.3768 1.3768 1.8770 1.8770 2.8793 2.8793 3.0955 3.0955 3.7520 3.7520 4.3242 4.3242 7.0033 7.0033 8.4844 8.4844 10.9534 10.9534 14.3237 14.3237 14.5735 14.5735 17.3429 17.3429 k = 0.4198 0.5127-0.1212 ( 1495 PWs) bands (ev): -13.1829 -13.1829 -6.4582 -6.4582 0.0541 0.0541 0.7331 0.7331 1.3742 1.3742 1.8850 1.8850 2.8926 2.8926 3.1111 3.1111 3.7709 3.7709 4.3384 4.3384 7.0179 7.0179 8.4397 8.4397 10.9250 10.9250 14.3295 14.3295 14.5704 14.5704 17.3313 17.3313 k = 0.4220 0.5154-0.1108 ( 1499 PWs) bands (ev): -13.1699 -13.1699 -6.5145 -6.5145 0.1054 0.1054 0.7292 0.7292 1.3721 1.3721 1.8956 1.8956 2.9042 2.9042 3.1299 3.1299 3.7907 3.7907 4.3540 4.3540 7.0307 7.0307 8.3918 8.3918 10.8974 10.8974 14.3260 14.3260 14.5732 14.5732 17.3158 17.3158 k = 0.4242 0.5181-0.1003 ( 1505 PWs) bands (ev): -13.1557 -13.1557 -6.5742 -6.5742 0.1502 0.1502 0.7346 0.7346 1.3707 1.3707 1.9087 1.9087 2.9144 2.9144 3.1515 3.1515 3.8115 3.8115 4.3713 4.3713 7.0418 7.0418 8.3408 8.3408 10.8709 10.8709 14.3109 14.3109 14.5839 14.5839 17.2948 17.2948 k = 0.4265 0.5208-0.0899 ( 1504 PWs) bands (ev): -13.1406 -13.1406 -6.6369 -6.6369 0.1862 0.1862 0.7511 0.7511 1.3702 1.3702 1.9242 1.9242 2.9238 2.9238 3.1754 3.1754 3.8333 3.8333 4.3902 4.3902 7.0509 7.0509 8.2871 8.2871 10.8457 10.8457 14.2843 14.2843 14.6027 14.6027 17.2667 17.2667 k = 0.4287 0.5235-0.0794 ( 1496 PWs) bands (ev): -13.1244 -13.1244 -6.7021 -6.7021 0.2119 0.2119 0.7794 0.7794 1.3708 1.3708 1.9422 1.9422 2.9328 2.9328 3.2011 3.2011 3.8565 3.8565 4.4109 4.4109 7.0580 7.0580 8.2308 8.2308 10.8221 10.8221 14.2472 14.2472 14.6281 14.6281 17.2294 17.2294 k = 0.4309 0.5262-0.0690 ( 1494 PWs) bands (ev): -13.1072 -13.1072 -6.7697 -6.7697 0.2271 0.2271 0.8184 0.8184 1.3730 1.3730 1.9626 1.9626 2.9416 2.9416 3.2279 3.2279 3.8810 3.8810 4.4335 4.4335 7.0629 7.0629 8.1719 8.1719 10.8004 10.8004 14.2012 14.2012 14.6584 14.6584 17.1811 17.1811 k = 0.4331 0.5289-0.0586 ( 1494 PWs) bands (ev): -13.0891 -13.0891 -6.8392 -6.8392 0.2333 0.2333 0.8657 0.8657 1.3773 1.3773 1.9854 1.9854 2.9506 2.9506 3.2556 3.2556 3.9071 3.9071 4.4581 4.4581 7.0655 7.0655 8.1106 8.1106 10.7808 10.7808 14.1475 14.1475 14.6922 14.6922 17.1199 17.1199 k = 0.4353 0.5316-0.0481 ( 1494 PWs) bands (ev): -13.0702 -13.0702 -6.9103 -6.9103 0.2324 0.2324 0.9175 0.9175 1.3848 1.3848 2.0106 2.0106 2.9601 2.9601 3.2837 3.2837 3.9349 3.9349 4.4848 4.4848 7.0659 7.0659 8.0472 8.0472 10.7635 10.7635 14.0870 14.0870 14.7283 14.7283 17.0446 17.0446 k = 0.4375 0.5343-0.0377 ( 1491 PWs) bands (ev): -13.0503 -13.0503 -6.9827 -6.9827 0.2264 0.2264 0.9702 0.9702 1.3967 1.3967 2.0383 2.0383 2.9702 2.9702 3.3118 3.3118 3.9647 3.9647 4.5136 4.5136 7.0638 7.0638 7.9818 7.9818 10.7488 10.7488 14.0206 14.0206 14.7659 14.7659 16.9551 16.9551 k = 0.4397 0.5370-0.0272 ( 1491 PWs) bands (ev): -13.0297 -13.0297 -7.0560 -7.0560 0.2168 0.2168 1.0198 1.0198 1.4144 1.4144 2.0686 2.0686 2.9812 2.9812 3.3396 3.3396 3.9967 3.9967 4.5448 4.5448 7.0593 7.0593 7.9145 7.9145 10.7369 10.7369 13.9485 13.9485 14.8041 14.8041 16.8521 16.8521 k = 0.4419 0.5397-0.0168 ( 1493 PWs) bands (ev): -13.0084 -13.0084 -7.1300 -7.1300 0.2048 0.2048 1.0630 1.0630 1.4396 1.4396 2.1015 2.1015 2.9931 2.9931 3.3668 3.3668 4.0310 4.0310 4.5783 4.5783 7.0523 7.0523 7.8455 7.8455 10.7280 10.7280 13.8712 13.8712 14.8420 14.8420 16.7375 16.7375 k = 0.4441 0.5424-0.0064 ( 1495 PWs) bands (ev): -12.9864 -12.9864 -7.2044 -7.2044 0.1914 0.1914 1.0977 1.0977 1.4726 1.4726 2.1371 2.1371 3.0059 3.0059 3.3932 3.3932 4.0678 4.0678 4.6143 4.6143 7.0428 7.0428 7.7750 7.7750 10.7223 10.7223 13.7893 13.7893 14.8785 14.8785 16.6139 16.6139 k = 0.4463 0.5451 0.0041 ( 1497 PWs) bands (ev): -12.9638 -12.9638 -7.2788 -7.2788 0.1771 0.1771 1.1233 1.1233 1.5128 1.5128 2.1756 2.1756 3.0199 3.0199 3.4186 3.4186 4.1072 4.1072 4.6529 4.6529 7.0307 7.0307 7.7033 7.7033 10.7200 10.7200 13.7030 13.7030 14.9123 14.9123 16.4845 16.4845 k = 0.4485 0.5478 0.0145 ( 1495 PWs) bands (ev): -12.9407 -12.9407 -7.3530 -7.3530 0.1623 0.1623 1.1409 1.1409 1.5579 1.5579 2.2170 2.2170 3.0351 3.0351 3.4428 3.4428 4.1491 4.1491 4.6941 4.6941 7.0162 7.0162 7.6304 7.6304 10.7212 10.7212 13.6130 13.6130 14.9415 14.9415 16.3531 16.3531 k = 0.4507 0.5504 0.0250 ( 1495 PWs) bands (ev): -12.9171 -12.9171 -7.4267 -7.4267 0.1475 0.1475 1.1522 1.1522 1.6054 1.6054 2.2613 2.2613 3.0515 3.0515 3.4658 3.4658 4.1937 4.1937 4.7381 4.7381 6.9991 6.9991 7.5567 7.5567 10.7260 10.7260 13.5195 13.5195 14.9634 14.9634 16.2239 16.2239 k = 0.4529 0.5531 0.0354 ( 1496 PWs) bands (ev): -12.8932 -12.8932 -7.4998 -7.4998 0.1326 0.1326 1.1589 1.1589 1.6530 1.6530 2.3081 2.3081 3.0692 3.0692 3.4874 3.4874 4.2408 4.2408 4.7847 4.7847 6.9796 6.9796 7.4823 7.4823 10.7344 10.7344 13.4231 13.4231 14.9744 14.9744 16.1021 16.1021 k = 0.4551 0.5558 0.0458 ( 1496 PWs) bands (ev): -12.8691 -12.8691 -7.5718 -7.5718 0.1181 0.1181 1.1624 1.1624 1.6990 1.6990 2.3573 2.3573 3.0883 3.0883 3.5077 3.5077 4.2902 4.2902 4.8340 4.8340 6.9577 6.9577 7.4076 7.4076 10.7465 10.7465 13.3243 13.3243 14.9696 14.9696 15.9939 15.9939 k = 0.4573 0.5585 0.0563 ( 1497 PWs) bands (ev): -12.8448 -12.8448 -7.6426 -7.6426 0.1039 0.1039 1.1636 1.1636 1.7423 1.7423 2.4082 2.4082 3.1087 3.1087 3.5268 3.5268 4.3419 4.3419 4.8860 4.8860 6.9335 6.9335 7.3328 7.3328 10.7623 10.7623 13.2236 13.2236 14.9433 14.9433 15.9058 15.9058 k = 0.4596 0.5612 0.0667 ( 1497 PWs) bands (ev): -12.8204 -12.8204 -7.7119 -7.7119 0.0901 0.0901 1.1633 1.1633 1.7823 1.7823 2.4601 2.4601 3.1306 3.1306 3.5446 3.5446 4.3956 4.3956 4.9404 4.9404 6.9068 6.9068 7.2585 7.2585 10.7816 10.7816 13.1217 13.1217 14.8912 14.8912 15.8430 15.8430 k = 0.4618 0.5639 0.0772 ( 1497 PWs) bands (ev): -12.7961 -12.7961 -7.7795 -7.7795 0.0769 0.0769 1.1618 1.1618 1.8188 1.8188 2.5122 2.5122 3.1539 3.1539 3.5612 3.5612 4.4511 4.4511 4.9971 4.9971 6.8775 6.8775 7.1853 7.1853 10.8042 10.8042 13.0194 13.0194 14.8128 14.8128 15.8065 15.8065 k = 0.4640 0.5666 0.0876 ( 1501 PWs) bands (ev): -12.7719 -12.7719 -7.8452 -7.8452 0.0643 0.0643 1.1595 1.1595 1.8518 1.8518 2.5637 2.5637 3.1788 3.1788 3.5768 3.5768 4.5082 4.5082 5.0557 5.0557 6.8452 6.8452 7.1141 7.1141 10.8300 10.8300 12.9174 12.9174 14.7117 14.7117 15.7932 15.7932 k = 0.4662 0.5693 0.0980 ( 1501 PWs) bands (ev): -12.7481 -12.7481 -7.9087 -7.9087 0.0522 0.0522 1.1567 1.1567 1.8815 1.8815 2.6138 2.6138 3.2051 3.2051 3.5915 3.5915 4.5666 4.5666 5.1157 5.1157 6.8090 6.8090 7.0462 7.0462 10.8586 10.8586 12.8166 12.8166 14.5937 14.5937 15.7977 15.7977 k = 0.4684 0.5720 0.1085 ( 1501 PWs) bands (ev): -12.7247 -12.7247 -7.9698 -7.9698 0.0408 0.0408 1.1536 1.1536 1.9082 1.9082 2.6616 2.6616 3.2327 3.2327 3.6053 3.6053 4.6261 4.6261 5.1766 5.1766 6.7678 6.7678 6.9835 6.9835 10.8895 10.8895 12.7182 12.7182 14.4645 14.4645 15.8144 15.8144 k = 0.4706 0.5747 0.1189 ( 1503 PWs) bands (ev): -12.7019 -12.7019 -8.0283 -8.0283 0.0301 0.0301 1.1503 1.1503 1.9319 1.9319 2.7067 2.7067 3.2615 3.2615 3.6185 3.6185 4.6867 4.6867 5.2376 5.2376 6.7201 6.7201 6.9281 6.9281 10.9222 10.9222 12.6234 12.6234 14.3284 14.3284 15.8391 15.8391 k = 0.4728 0.5774 0.1294 ( 1505 PWs) bands (ev): -12.6798 -12.6798 -8.0839 -8.0839 0.0201 0.0201 1.1470 1.1470 1.9531 1.9531 2.7485 2.7485 3.2913 3.2913 3.6311 3.6311 4.7480 4.7480 5.2981 5.2981 6.6652 6.6652 6.8813 6.8813 10.9559 10.9559 12.5335 12.5335 14.1887 14.1887 15.8688 15.8688 k = 0.4750 0.5801 0.1398 ( 1499 PWs) bands (ev): -12.6585 -12.6585 -8.1364 -8.1364 0.0108 0.0108 1.1436 1.1436 1.9719 1.9719 2.7867 2.7867 3.3215 3.3215 3.6432 3.6432 4.8100 4.8100 5.3570 5.3570 6.6037 6.6037 6.8432 6.8432 10.9896 10.9896 12.4505 12.4505 14.0476 14.0476 15.9012 15.9012 k = 0.4772 0.5828 0.1503 ( 1495 PWs) bands (ev): -12.6382 -12.6382 -8.1856 -8.1856 0.0022 0.0022 1.1403 1.1403 1.9885 1.9885 2.8211 2.8211 3.3518 3.3518 3.6551 3.6551 4.8725 4.8725 5.4136 5.4136 6.5372 6.5372 6.8128 6.8128 11.0221 11.0221 12.3762 12.3762 13.9066 13.9066 15.9348 15.9348 k = 0.4794 0.5855 0.1607 ( 1497 PWs) bands (ev): -12.6191 -12.6191 -8.2314 -8.2314 -0.0057 -0.0057 1.1372 1.1372 2.0032 2.0032 2.8519 2.8519 3.3814 3.3814 3.6668 3.6668 4.9353 4.9353 5.4668 5.4668 6.4676 6.4676 6.7890 6.7890 11.0520 11.0520 12.3128 12.3128 13.7670 13.7670 15.9684 15.9684 k = 0.4816 0.5882 0.1711 ( 1495 PWs) bands (ev): -12.6013 -12.6013 -8.2735 -8.2735 -0.0129 -0.0129 1.1342 1.1342 2.0160 2.0160 2.8789 2.8789 3.4097 3.4097 3.6783 3.6783 4.9984 4.9984 5.5160 5.5160 6.3963 6.3963 6.7709 6.7709 11.0777 11.0777 12.2626 12.2626 13.6294 13.6294 16.0010 16.0010 k = 0.4838 0.5909 0.1816 ( 1493 PWs) bands (ev): -12.5849 -12.5849 -8.3117 -8.3117 -0.0193 -0.0193 1.1314 1.1314 2.0272 2.0272 2.9025 2.9025 3.4362 3.4362 3.6897 3.6897 5.0613 5.0613 5.5604 5.5604 6.3241 6.3241 6.7579 6.7579 11.0978 11.0978 12.2278 12.2278 13.4948 13.4948 16.0319 16.0319 k = 0.4860 0.5936 0.1920 ( 1493 PWs) bands (ev): -12.5700 -12.5700 -8.3459 -8.3459 -0.0250 -0.0250 1.1289 1.1289 2.0368 2.0368 2.9228 2.9228 3.4601 3.4601 3.7010 3.7010 5.1238 5.1238 5.5996 5.5996 6.2521 6.2521 6.7495 6.7495 11.1113 11.1113 12.2103 12.2103 13.3636 13.3636 16.0606 16.0606 k = 0.4882 0.5963 0.2025 ( 1495 PWs) bands (ev): -12.5569 -12.5569 -8.3758 -8.3758 -0.0300 -0.0300 1.1267 1.1267 2.0449 2.0449 2.9399 2.9399 3.4811 3.4811 3.7119 3.7119 5.1853 5.1853 5.6338 5.6339 6.1807 6.1807 6.7449 6.7449 11.1180 11.1180 12.2108 12.2108 13.2365 13.2365 16.0864 16.0864 k = 0.4904 0.5990 0.2129 ( 1497 PWs) bands (ev): -12.5456 -12.5456 -8.4014 -8.4014 -0.0342 -0.0342 1.1248 1.1248 2.0516 2.0516 2.9542 2.9542 3.4989 3.4989 3.7221 3.7221 5.2449 5.2449 5.6635 5.6635 6.1107 6.1107 6.7434 6.7434 11.1189 11.1189 12.2290 12.2290 13.1141 13.1141 16.1090 16.1090 k = 0.4927 0.6017 0.2233 ( 1498 PWs) bands (ev): -12.5362 -12.5362 -8.4225 -8.4225 -0.0377 -0.0377 1.1232 1.1232 2.0570 2.0570 2.9657 2.9657 3.5134 3.5134 3.7311 3.7311 5.3012 5.3012 5.6896 5.6896 6.0428 6.0428 6.7441 6.7441 11.1156 11.1156 12.2635 12.2635 12.9973 12.9973 16.1280 16.1280 k = 0.4949 0.6043 0.2338 ( 1498 PWs) bands (ev): -12.5288 -12.5288 -8.4390 -8.4390 -0.0404 -0.0404 1.1219 1.1219 2.0611 2.0611 2.9746 2.9746 3.5246 3.5246 3.7385 3.7385 5.3519 5.3519 5.7141 5.7141 5.9779 5.9779 6.7460 6.7460 11.1103 11.1103 12.3116 12.3116 12.8872 12.8872 16.1430 16.1430 k = 0.4971 0.6070 0.2442 ( 1498 PWs) bands (ev): -12.5235 -12.5235 -8.4508 -8.4508 -0.0424 -0.0424 1.1210 1.1210 2.0640 2.0640 2.9810 2.9810 3.5326 3.5326 3.7437 3.7437 5.3936 5.3936 5.7396 5.7396 5.9175 5.9175 6.7482 6.7482 11.1051 11.1051 12.3697 12.3697 12.7864 12.7864 16.1539 16.1539 k = 0.4993 0.6097 0.2547 ( 1488 PWs) bands (ev): -12.5203 -12.5203 -8.4578 -8.4578 -0.0437 -0.0437 1.1204 1.1204 2.0657 2.0657 2.9849 2.9849 3.5376 3.5376 3.7465 3.7465 5.4217 5.4217 5.7693 5.7693 5.8634 5.8634 6.7500 6.7500 11.1019 11.1019 12.4292 12.4292 12.7020 12.7020 16.1604 16.1604 k = 0.5015 0.6124 0.2651 ( 1484 PWs) bands (ev): -12.5193 -12.5193 -8.4600 -8.4600 -0.0441 -0.0441 1.1202 1.1202 2.0662 2.0662 2.9865 2.9865 3.5396 3.5396 3.7464 3.7464 5.4319 5.4319 5.7994 5.7994 5.8240 5.8240 6.7507 6.7507 11.1017 11.1017 12.4631 12.4631 12.6605 12.6605 16.1624 16.1624 k = 0.5015 0.6124 0.2651 ( 1484 PWs) bands (ev): -12.5193 -12.5193 -8.4600 -8.4600 -0.0441 -0.0441 1.1202 1.1202 2.0662 2.0662 2.9865 2.9865 3.5396 3.5396 3.7464 3.7464 5.4319 5.4319 5.7994 5.7994 5.8240 5.8240 6.7507 6.7507 11.1017 11.1017 12.4631 12.4631 12.6605 12.6605 16.1624 16.1624 k = 0.4966 0.6064 0.2728 ( 1486 PWs) bands (ev): -12.5199 -12.5199 -8.4588 -8.4588 -0.0432 -0.0432 1.1205 1.1205 2.0651 2.0651 2.9833 2.9833 3.5353 3.5353 3.7532 3.7532 5.4249 5.4249 5.7726 5.7726 5.8576 5.8576 6.7498 6.7498 11.0992 11.0992 12.4374 12.4374 12.6904 12.6904 16.1618 16.1618 k = 0.4916 0.6004 0.2806 ( 1484 PWs) bands (ev): -12.5218 -12.5218 -8.4547 -8.4547 -0.0393 -0.0393 1.1217 1.1217 2.0599 2.0599 2.9707 2.9707 3.5208 3.5208 3.7793 3.7793 5.4033 5.4033 5.7414 5.7414 5.9098 5.9098 6.7468 6.7468 11.0901 11.0901 12.3827 12.3827 12.7598 12.7598 16.1604 16.1604 k = 0.4867 0.5944 0.2883 ( 1488 PWs) bands (ev): -12.5252 -12.5252 -8.4479 -8.4479 -0.0326 -0.0326 1.1237 1.1237 2.0507 2.0507 2.9499 2.9499 3.5017 3.5017 3.8177 3.8177 5.3697 5.3697 5.7164 5.7164 5.9672 5.9672 6.7415 6.7415 11.0744 11.0744 12.3237 12.3237 12.8432 12.8432 16.1583 16.1583 k = 0.4818 0.5883 0.2961 ( 1489 PWs) bands (ev): -12.5299 -12.5299 -8.4384 -8.4384 -0.0230 -0.0230 1.1266 1.1266 2.0373 2.0373 2.9227 2.9227 3.4818 3.4818 3.8630 3.8630 5.3274 5.3274 5.6961 5.6961 6.0282 6.0282 6.7340 6.7340 11.0527 11.0527 12.2684 12.2684 12.9326 12.9326 16.1555 16.1555 k = 0.4768 0.5823 0.3038 ( 1485 PWs) bands (ev): -12.5359 -12.5359 -8.4262 -8.4262 -0.0106 -0.0106 1.1303 1.1303 2.0195 2.0195 2.8911 2.8911 3.4626 3.4626 3.9118 3.9118 5.2797 5.2797 5.6785 5.6785 6.0914 6.0914 6.7245 6.7245 11.0256 11.0256 12.2194 12.2194 13.0249 13.0249 16.1519 16.1519 k = 0.4719 0.5763 0.3116 ( 1487 PWs) bands (ev): -12.5431 -12.5431 -8.4115 -8.4115 0.0046 0.0046 1.1347 1.1347 1.9971 1.9971 2.8573 2.8573 3.4444 3.4444 3.9616 3.9616 5.2288 5.2288 5.6624 5.6624 6.1561 6.1561 6.7131 6.7131 10.9938 10.9938 12.1774 12.1774 13.1183 13.1183 16.1475 16.1475 k = 0.4670 0.5703 0.3193 ( 1494 PWs) bands (ev): -12.5514 -12.5514 -8.3943 -8.3943 0.0223 0.0223 1.1397 1.1397 1.9700 1.9700 2.8230 2.8230 3.4269 3.4269 4.0108 4.0108 5.1765 5.1765 5.6467 5.6467 6.2214 6.2214 6.7000 6.7000 10.9585 10.9585 12.1428 12.1428 13.2114 13.2114 16.1424 16.1424 k = 0.4620 0.5642 0.3271 ( 1496 PWs) bands (ev): -12.5609 -12.5609 -8.3747 -8.3747 0.0425 0.0425 1.1453 1.1453 1.9383 1.9383 2.7897 2.7897 3.4097 3.4097 4.0581 4.0581 5.1239 5.1239 5.6310 5.6310 6.2866 6.2866 6.6857 6.6857 10.9211 10.9211 12.1151 12.1151 13.3035 13.3035 16.1366 16.1366 k = 0.4571 0.5582 0.3348 ( 1495 PWs) bands (ev): -12.5713 -12.5713 -8.3530 -8.3530 0.0652 0.0652 1.1513 1.1513 1.9023 1.9023 2.7586 2.7586 3.3924 3.3924 4.1022 4.1022 5.0718 5.0718 5.6152 5.6152 6.3504 6.3504 6.6710 6.6710 10.8828 10.8828 12.0941 12.0941 13.3936 13.3936 16.1300 16.1300 k = 0.4522 0.5522 0.3425 ( 1497 PWs) bands (ev): -12.5827 -12.5827 -8.3291 -8.3291 0.0901 0.0901 1.1575 1.1575 1.8624 1.8624 2.7304 2.7304 3.3748 3.3748 4.1422 4.1422 5.0209 5.0209 5.5991 5.5991 6.4108 6.4108 6.6577 6.6577 10.8451 10.8451 12.0790 12.0790 13.4810 13.4810 16.1227 16.1227 k = 0.4472 0.5462 0.3503 ( 1497 PWs) bands (ev): -12.5949 -12.5949 -8.3034 -8.3034 0.1169 0.1170 1.1637 1.1637 1.8193 1.8193 2.7054 2.7054 3.3566 3.3566 4.1772 4.1772 4.9714 4.9714 5.5830 5.5830 6.4630 6.4630 6.6506 6.6506 10.8092 10.8092 12.0692 12.0692 13.5652 13.5652 16.1146 16.1146 k = 0.4423 0.5401 0.3580 ( 1498 PWs) bands (ev): -12.6077 -12.6077 -8.2759 -8.2759 0.1456 0.1456 1.1696 1.1696 1.7741 1.7741 2.6837 2.6837 3.3376 3.3376 4.2063 4.2063 4.9239 4.9239 5.5670 5.5670 6.4969 6.4969 6.6597 6.6597 10.7764 10.7764 12.0641 12.0641 13.6457 13.6457 16.1057 16.1057 k = 0.4374 0.5341 0.3658 ( 1496 PWs) bands (ev): -12.6212 -12.6212 -8.2468 -8.2468 0.1757 0.1757 1.1747 1.1747 1.7279 1.7279 2.6652 2.6652 3.3179 3.3179 4.2289 4.2289 4.8785 4.8785 5.5512 5.5512 6.5041 6.5041 6.6934 6.6934 10.7477 10.7477 12.0631 12.0631 13.7220 13.7220 16.0961 16.0961 k = 0.4324 0.5281 0.3735 ( 1496 PWs) bands (ev): -12.6352 -12.6352 -8.2163 -8.2163 0.2068 0.2068 1.1786 1.1786 1.6822 1.6822 2.6496 2.6496 3.2972 3.2972 4.2444 4.2444 4.8353 4.8353 5.5359 5.5359 6.4919 6.4919 6.7444 6.7444 10.7240 10.7240 12.0656 12.0656 13.7938 13.7938 16.0857 16.0857 k = 0.4275 0.5221 0.3813 ( 1491 PWs) bands (ev): -12.6496 -12.6496 -8.1846 -8.1846 0.2384 0.2384 1.1804 1.1804 1.6387 1.6387 2.6365 2.6365 3.2758 3.2758 4.2526 4.2526 4.7944 4.7944 5.5211 5.5211 6.4701 6.4701 6.8028 6.8028 10.7060 10.7060 12.0711 12.0711 13.8609 13.8609 16.0746 16.0746 k = 0.4226 0.5160 0.3890 ( 1490 PWs) bands (ev): -12.6643 -12.6643 -8.1518 -8.1518 0.2700 0.2700 1.1793 1.1793 1.5994 1.5994 2.6257 2.6257 3.2537 3.2537 4.2534 4.2534 4.7558 4.7558 5.5068 5.5068 6.4436 6.4436 6.8641 6.8641 10.6944 10.6944 12.0794 12.0794 13.9231 13.9231 16.0627 16.0627 k = 0.4176 0.5100 0.3968 ( 1488 PWs) bands (ev): -12.6792 -12.6792 -8.1183 -8.1183 0.3008 0.3008 1.1745 1.1745 1.5660 1.5660 2.6166 2.6166 3.2309 3.2309 4.2469 4.2469 4.7193 4.7193 5.4929 5.4929 6.4143 6.4143 6.9262 6.9262 10.6895 10.6895 12.0899 12.0899 13.9803 13.9803 16.0500 16.0500 k = 0.4127 0.5040 0.4045 ( 1488 PWs) bands (ev): -12.6942 -12.6942 -8.0840 -8.0840 0.3298 0.3298 1.1656 1.1656 1.5404 1.5404 2.6090 2.6090 3.2078 3.2078 4.2335 4.2335 4.6848 4.6848 5.4792 5.4792 6.3834 6.3834 6.9883 6.9883 10.6916 10.6916 12.1024 12.1024 14.0326 14.0326 16.0366 16.0366 k = 0.4078 0.4980 0.4122 ( 1486 PWs) bands (ev): -12.7093 -12.7093 -8.0494 -8.0494 0.3559 0.3559 1.1529 1.1529 1.5235 1.5235 2.6025 2.6025 3.1845 3.1845 4.2136 4.2136 4.6523 4.6523 5.4652 5.4652 6.3516 6.3516 7.0499 7.0499 10.7010 10.7010 12.1166 12.1166 14.0799 14.0799 16.0225 16.0225 k = 0.4028 0.4919 0.4200 ( 1486 PWs) bands (ev): -12.7243 -12.7243 -8.0144 -8.0144 0.3777 0.3777 1.1379 1.1379 1.5153 1.5153 2.5965 2.5965 3.1615 3.1615 4.1877 4.1877 4.6216 4.6216 5.4505 5.4505 6.3194 6.3194 7.1107 7.1107 10.7176 10.7176 12.1323 12.1323 14.1223 14.1223 16.0076 16.0076 k = 0.3979 0.4859 0.4277 ( 1486 PWs) bands (ev): -12.7391 -12.7391 -7.9794 -7.9794 0.3939 0.3939 1.1230 1.1230 1.5150 1.5150 2.5908 2.5908 3.1391 3.1391 4.1567 4.1567 4.5928 4.5928 5.4345 5.4345 6.2872 6.2872 7.1704 7.1704 10.7414 10.7414 12.1491 12.1491 14.1602 14.1602 15.9921 15.9921 k = 0.3930 0.4799 0.4355 ( 1484 PWs) bands (ev): -12.7537 -12.7537 -7.9444 -7.9444 0.4031 0.4031 1.1105 1.1105 1.5215 1.5215 2.5850 2.5850 3.1177 3.1177 4.1209 4.1209 4.5660 4.5660 5.4165 5.4165 6.2555 6.2555 7.2289 7.2289 10.7723 10.7723 12.1669 12.1669 14.1936 14.1936 15.9759 15.9759 k = 0.3880 0.4739 0.4432 ( 1483 PWs) bands (ev): -12.7680 -12.7680 -7.9097 -7.9097 0.4042 0.4042 1.1026 1.1026 1.5335 1.5335 2.5788 2.5788 3.0978 3.0978 4.0811 4.0812 4.5413 4.5413 5.3962 5.3962 6.2246 6.2246 7.2861 7.2861 10.8100 10.8100 12.1853 12.1853 14.2230 14.2230 15.9590 15.9590 k = 0.3831 0.4679 0.4510 ( 1481 PWs) bands (ev): -12.7819 -12.7819 -7.8754 -7.8754 0.3970 0.3970 1.1004 1.1004 1.5502 1.5502 2.5717 2.5717 3.0798 3.0798 4.0380 4.0380 4.5189 4.5189 5.3730 5.3730 6.1948 6.1948 7.3419 7.3419 10.8544 10.8544 12.2043 12.2043 14.2485 14.2485 15.9415 15.9415 k = 0.3782 0.4618 0.4587 ( 1481 PWs) bands (ev): -12.7954 -12.7954 -7.8418 -7.8418 0.3817 0.3817 1.1039 1.1039 1.5709 1.5709 2.5636 2.5636 3.0642 3.0642 3.9922 3.9922 4.4988 4.4988 5.3465 5.3465 6.1663 6.1663 7.3962 7.3962 10.9050 10.9050 12.2235 12.2235 14.2705 14.2705 15.9235 15.9235 k = 0.3732 0.4558 0.4664 ( 1479 PWs) bands (ev): -12.8084 -12.8084 -7.8089 -7.8089 0.3594 0.3594 1.1124 1.1124 1.5948 1.5948 2.5544 2.5544 3.0512 3.0512 3.9444 3.9444 4.4811 4.4811 5.3164 5.3164 6.1394 6.1394 7.4489 7.4489 10.9616 10.9616 12.2427 12.2427 14.2895 14.2895 15.9050 15.9050 k = 0.3683 0.4498 0.4742 ( 1478 PWs) bands (ev): -12.8210 -12.8210 -7.7768 -7.7768 0.3317 0.3317 1.1246 1.1246 1.6215 1.6215 2.5441 2.5441 3.0411 3.0411 3.8954 3.8954 4.4657 4.4657 5.2827 5.2827 6.1143 6.1143 7.5000 7.5000 11.0236 11.0236 12.2617 12.2617 14.3057 14.3057 15.8860 15.8860 k = 0.3634 0.4438 0.4819 ( 1476 PWs) bands (ev): -12.8329 -12.8329 -7.7459 -7.7459 0.2999 0.2999 1.1392 1.1392 1.6502 1.6502 2.5332 2.5332 3.0337 3.0337 3.8461 3.8461 4.4528 4.4528 5.2452 5.2452 6.0908 6.0908 7.5493 7.5493 11.0907 11.0907 12.2803 12.2803 14.3196 14.3196 15.8666 15.8666 k = 0.3584 0.4377 0.4897 ( 1478 PWs) bands (ev): -12.8443 -12.8443 -7.7160 -7.7160 0.2654 0.2654 1.1547 1.1547 1.6800 1.6800 2.5223 2.5223 3.0288 3.0288 3.7974 3.7974 4.4422 4.4422 5.2042 5.2042 6.0691 6.0691 7.5969 7.5969 11.1624 11.1624 12.2983 12.2983 14.3316 14.3316 15.8469 15.8469 k = 0.3535 0.4317 0.4974 ( 1480 PWs) bands (ev): -12.8551 -12.8551 -7.6875 -7.6875 0.2294 0.2294 1.1702 1.1702 1.7099 1.7099 2.5121 2.5121 3.0260 3.0260 3.7501 3.7501 4.4338 4.4338 5.1597 5.1597 6.0492 6.0492 7.6426 7.6426 11.2382 11.2382 12.3155 12.3155 14.3421 14.3421 15.8270 15.8270 k = 0.3486 0.4257 0.5052 ( 1486 PWs) bands (ev): -12.8653 -12.8653 -7.6604 -7.6604 0.1929 0.1929 1.1849 1.1849 1.7385 1.7385 2.5038 2.5038 3.0245 3.0245 3.7053 3.7053 4.4275 4.4275 5.1121 5.1121 6.0308 6.0308 7.6864 7.6864 11.3177 11.3177 12.3316 12.3316 14.3515 14.3515 15.8070 15.8070 k = 0.3436 0.4197 0.5129 ( 1486 PWs) bands (ev): -12.8748 -12.8748 -7.6347 -7.6347 0.1567 0.1567 1.1985 1.1985 1.7644 1.7644 2.4987 2.4987 3.0236 3.0236 3.6641 3.6641 4.4232 4.4232 5.0619 5.0619 6.0141 6.0141 7.7284 7.7284 11.4002 11.4002 12.3465 12.3465 14.3602 14.3602 15.7869 15.7869 k = 0.3387 0.4136 0.5207 ( 1488 PWs) bands (ev): -12.8837 -12.8837 -7.6105 -7.6105 0.1214 0.1214 1.2105 1.2105 1.7860 1.7860 2.4979 2.4979 3.0221 3.0221 3.6275 3.6275 4.4207 4.4207 5.0094 5.0094 5.9988 5.9988 7.7684 7.7684 11.4854 11.4854 12.3601 12.3601 14.3686 14.3686 15.7669 15.7669 k = 0.3338 0.4076 0.5284 ( 1490 PWs) bands (ev): -12.8919 -12.8919 -7.5879 -7.5879 0.0874 0.0874 1.2209 1.2209 1.8019 1.8019 2.5026 2.5026 3.0190 3.0190 3.5967 3.5967 4.4198 4.4198 4.9551 4.9551 5.9851 5.9851 7.8065 7.8065 11.5725 11.5725 12.3723 12.3723 14.3770 14.3770 15.7470 15.7470 k = 0.3338 0.4076 0.5284 ( 1490 PWs) bands (ev): -12.8919 -12.8919 -7.5879 -7.5879 0.0874 0.0874 1.2209 1.2209 1.8019 1.8019 2.5026 2.5026 3.0190 3.0190 3.5967 3.5967 4.4198 4.4198 4.9551 4.9551 5.9851 5.9851 7.8065 7.8065 11.5725 11.5725 12.3723 12.3723 14.3770 14.3770 15.7470 15.7470 k = 0.3267 0.3989 0.5284 ( 1488 PWs) bands (ev): -12.8858 -12.8858 -7.6100 -7.6100 0.0712 0.0712 1.2301 1.2301 1.8183 1.8183 2.5167 2.5167 3.0177 3.0177 3.5811 3.5811 4.4496 4.4496 4.9741 4.9741 5.9544 5.9544 7.8054 7.8054 11.6559 11.6559 12.3385 12.3385 14.2917 14.2917 15.7653 15.7653 k = 0.3196 0.3903 0.5284 ( 1486 PWs) bands (ev): -12.8795 -12.8795 -7.6330 -7.6330 0.0570 0.0570 1.2379 1.2379 1.8298 1.8298 2.5374 2.5374 3.0138 3.0138 3.5683 3.5683 4.4798 4.4798 4.9933 4.9933 5.9249 5.9249 7.8037 7.8037 11.7318 11.7318 12.3114 12.3114 14.2028 14.2028 15.7864 15.7864 k = 0.3125 0.3816 0.5284 ( 1488 PWs) bands (ev): -12.8730 -12.8730 -7.6569 -7.6569 0.0449 0.0449 1.2444 1.2444 1.8361 1.8361 2.5642 2.5642 3.0072 3.0072 3.5588 3.5588 4.5103 4.5103 5.0128 5.0128 5.8968 5.8968 7.8015 7.8015 11.7949 11.7949 12.2955 12.2955 14.1106 14.1106 15.8103 15.8103 k = 0.3054 0.3729 0.5284 ( 1490 PWs) bands (ev): -12.8664 -12.8664 -7.6817 -7.6817 0.0350 0.0350 1.2495 1.2495 1.8376 1.8376 2.5963 2.5963 2.9982 2.9982 3.5531 3.5531 4.5412 4.5412 5.0324 5.0324 5.8703 5.8703 7.7985 7.7985 11.8384 11.8384 12.2968 12.2968 14.0159 14.0159 15.8366 15.8366 k = 0.2983 0.3642 0.5284 ( 1490 PWs) bands (ev): -12.8595 -12.8595 -7.7074 -7.7074 0.0274 0.0274 1.2535 1.2535 1.8347 1.8347 2.6321 2.6321 2.9873 2.9873 3.5514 3.5514 4.5723 4.5723 5.0520 5.0520 5.8456 5.8456 7.7950 7.7950 11.8570 11.8570 12.3197 12.3197 13.9190 13.9190 15.8655 15.8655 k = 0.2912 0.3556 0.5284 ( 1492 PWs) bands (ev): -12.8524 -12.8524 -7.7339 -7.7339 0.0220 0.0220 1.2565 1.2565 1.8280 1.8280 2.6698 2.6698 2.9755 2.9755 3.5541 3.5541 4.6036 4.6036 5.0716 5.0716 5.8230 5.8230 7.7907 7.7907 11.8516 11.8516 12.3625 12.3625 13.8207 13.8207 15.8967 15.8967 k = 0.2841 0.3469 0.5284 ( 1490 PWs) bands (ev): -12.8452 -12.8452 -7.7612 -7.7612 0.0190 0.0190 1.2585 1.2585 1.8182 1.8182 2.7068 2.7068 2.9646 2.9646 3.5612 3.5612 4.6350 4.6350 5.0907 5.0907 5.8027 5.8027 7.7858 7.7858 11.8276 11.8276 12.4187 12.4187 13.7214 13.7214 15.9302 15.9302 k = 0.2770 0.3382 0.5284 ( 1486 PWs) bands (ev): -12.8378 -12.8378 -7.7892 -7.7892 0.0183 0.0183 1.2596 1.2596 1.8059 1.8059 2.7395 2.7395 2.9575 2.9575 3.5730 3.5730 4.6665 4.6665 5.1092 5.1092 5.7852 5.7852 7.7802 7.7802 11.7911 11.7911 12.4816 12.4816 13.6216 13.6216 15.9660 15.9660 k = 0.2699 0.3296 0.5284 ( 1486 PWs) bands (ev): -12.8303 -12.8303 -7.8179 -7.8179 0.0198 0.0198 1.2599 1.2599 1.7917 1.7917 2.7630 2.7630 2.9585 2.9585 3.5894 3.5894 4.6980 4.6980 5.1267 5.1267 5.7710 5.7710 7.7738 7.7738 11.7460 11.7460 12.5462 12.5462 13.5220 13.5220 16.0039 16.0039 k = 0.2628 0.3209 0.5284 ( 1486 PWs) bands (ev): -12.8227 -12.8227 -7.8472 -7.8472 0.0235 0.0235 1.2594 1.2594 1.7760 1.7760 2.7734 2.7734 2.9711 2.9711 3.6106 3.6106 4.7293 4.7293 5.1425 5.1425 5.7608 5.7608 7.7667 7.7667 11.6947 11.6947 12.6094 12.6094 13.4230 13.4230 16.0440 16.0440 k = 0.2556 0.3122 0.5284 ( 1488 PWs) bands (ev): -12.8149 -12.8149 -7.8771 -7.8771 0.0293 0.0293 1.2583 1.2583 1.7593 1.7593 2.7709 2.7709 2.9942 2.9942 3.6366 3.6366 4.7604 4.7604 5.1563 5.1563 5.7551 5.7551 7.7589 7.7589 11.6383 11.6383 12.6691 12.6691 13.3252 13.3252 16.0863 16.0863 k = 0.2485 0.3035 0.5284 ( 1488 PWs) bands (ev): -12.8071 -12.8071 -7.9075 -7.9075 0.0370 0.0370 1.2566 1.2566 1.7421 1.7421 2.7599 2.7599 3.0235 3.0235 3.6674 3.6674 4.7910 4.7910 5.1675 5.1675 5.7546 5.7546 7.7504 7.7504 11.5776 11.5776 12.7238 12.7238 13.2292 13.2292 16.1306 16.1306 k = 0.2414 0.2949 0.5284 ( 1492 PWs) bands (ev): -12.7992 -12.7992 -7.9383 -7.9383 0.0465 0.0465 1.2542 1.2542 1.7247 1.7247 2.7441 2.7441 3.0548 3.0548 3.7030 3.7030 4.8211 4.8211 5.1756 5.1756 5.7599 5.7599 7.7412 7.7412 11.5129 11.5129 12.7723 12.7723 13.1357 13.1357 16.1769 16.1769 k = 0.2343 0.2862 0.5284 ( 1496 PWs) bands (ev): -12.7913 -12.7913 -7.9694 -7.9694 0.0575 0.0575 1.2512 1.2512 1.7074 1.7074 2.7262 2.7262 3.0855 3.0855 3.7431 3.7431 4.8502 4.8502 5.1805 5.1805 5.7715 5.7715 7.7314 7.7314 11.4445 11.4445 12.8132 12.8132 13.0459 13.0459 16.2253 16.2253 k = 0.2272 0.2775 0.5284 ( 1494 PWs) bands (ev): -12.7833 -12.7833 -8.0008 -8.0008 0.0699 0.0699 1.2477 1.2477 1.6909 1.6909 2.7075 2.7075 3.1142 3.1142 3.7872 3.7872 4.8782 4.8782 5.1823 5.1823 5.7896 5.7896 7.7208 7.7208 11.3725 11.3725 12.8425 12.8425 12.9636 12.9636 16.2757 16.2757 k = 0.2201 0.2688 0.5284 ( 1494 PWs) bands (ev): -12.7753 -12.7753 -8.0324 -8.0324 0.0834 0.0834 1.2435 1.2435 1.6754 1.6754 2.6890 2.6890 3.1405 3.1405 3.8350 3.8350 4.9042 4.9042 5.1815 5.1815 5.8141 5.8141 7.7096 7.7096 11.2971 11.2971 12.8346 12.8346 12.9144 12.9144 16.3280 16.3280 k = 0.2130 0.2602 0.5284 ( 1494 PWs) bands (ev): -12.7672 -12.7672 -8.0641 -8.0641 0.0977 0.0977 1.2387 1.2387 1.6615 1.6615 2.6712 2.6712 3.1641 3.1641 3.8857 3.8857 4.9277 4.9277 5.1794 5.1794 5.8447 5.8447 7.6979 7.6979 11.2185 11.2185 12.7695 12.7695 12.9184 12.9184 16.3822 16.3822 k = 0.2059 0.2515 0.5284 ( 1498 PWs) bands (ev): -12.7592 -12.7592 -8.0958 -8.0958 0.1124 0.1124 1.2332 1.2332 1.6495 1.6495 2.6544 2.6544 3.1850 3.1850 3.9386 3.9386 4.9473 4.9473 5.1772 5.1772 5.8809 5.8809 7.6855 7.6855 11.1369 11.1369 12.6935 12.6935 12.9291 12.9291 16.4381 16.4381 k = 0.1988 0.2428 0.5284 ( 1500 PWs) bands (ev): -12.7513 -12.7513 -8.1274 -8.1274 0.1273 0.1273 1.2270 1.2270 1.6400 1.6400 2.6388 2.6388 3.2034 3.2034 3.9932 3.9932 4.9615 4.9615 5.1772 5.1772 5.9223 5.9223 7.6726 7.6726 11.0527 11.0527 12.6183 12.6183 12.9353 12.9353 16.4957 16.4957 k = 0.1917 0.2342 0.5284 ( 1500 PWs) bands (ev): -12.7434 -12.7434 -8.1589 -8.1589 0.1420 0.1420 1.2201 1.2201 1.6333 1.6333 2.6247 2.6247 3.2197 3.2197 4.0486 4.0486 4.9690 4.9690 5.1812 5.1812 5.9681 5.9681 7.6593 7.6593 10.9662 10.9662 12.5453 12.5453 12.9356 12.9356 16.5549 16.5549 k = 0.1846 0.2255 0.5284 ( 1504 PWs) bands (ev): -12.7355 -12.7355 -8.1901 -8.1901 0.1561 0.1561 1.2126 1.2126 1.6299 1.6299 2.6122 2.6122 3.2340 3.2340 4.1042 4.1042 4.9689 4.9689 5.1904 5.1904 6.0178 6.0178 7.6455 7.6455 10.8780 10.8780 12.4748 12.4748 12.9298 12.9298 16.6156 16.6156 k = 0.1775 0.2168 0.5284 ( 1502 PWs) bands (ev): -12.7278 -12.7278 -8.2210 -8.2210 0.1694 0.1694 1.2045 1.2045 1.6299 1.6299 2.6012 2.6012 3.2466 3.2466 4.1593 4.1593 4.9619 4.9619 5.2046 5.2046 6.0708 6.0708 7.6314 7.6314 10.7886 10.7886 12.4066 12.4066 12.9183 12.9183 16.6776 16.6776 k = 0.1704 0.2081 0.5284 ( 1507 PWs) bands (ev): -12.7201 -12.7201 -8.2515 -8.2515 0.1814 0.1814 1.1960 1.1960 1.6336 1.6336 2.5920 2.5920 3.2577 3.2577 4.2133 4.2133 4.9496 4.9496 5.2229 5.2229 6.1266 6.1266 7.6169 7.6169 10.6986 10.6986 12.3404 12.3404 12.9015 12.9015 16.7407 16.7407 k = 0.1633 0.1995 0.5284 ( 1504 PWs) bands (ev): -12.7126 -12.7126 -8.2815 -8.2815 0.1919 0.1919 1.1873 1.1873 1.6411 1.6411 2.5844 2.5844 3.2675 3.2675 4.2652 4.2652 4.9339 4.9339 5.2440 5.2440 6.1845 6.1845 7.6022 7.6022 10.6088 10.6088 12.2759 12.2759 12.8800 12.8800 16.8048 16.8048 k = 0.1562 0.1908 0.5284 ( 1504 PWs) bands (ev): -12.7052 -12.7052 -8.3109 -8.3109 0.2006 0.2006 1.1785 1.1785 1.6524 1.6524 2.5787 2.5787 3.2762 3.2762 4.3142 4.3142 4.9168 4.9168 5.2668 5.2668 6.2440 6.2440 7.5874 7.5874 10.5196 10.5196 12.2126 12.2126 12.8546 12.8546 16.8697 16.8697 k = 0.1491 0.1821 0.5284 ( 1504 PWs) bands (ev): -12.6980 -12.6980 -8.3396 -8.3396 0.2074 0.2074 1.1698 1.1698 1.6672 1.6672 2.5748 2.5748 3.2838 3.2838 4.3590 4.3590 4.9003 4.9003 5.2906 5.2906 6.3044 6.3044 7.5725 7.5725 10.4321 10.4321 12.1501 12.1501 12.8258 12.8258 16.9352 16.9352 k = 0.1420 0.1734 0.5284 ( 1504 PWs) bands (ev): -12.6910 -12.6910 -8.3676 -8.3676 0.2122 0.2122 1.1614 1.1614 1.6855 1.6855 2.5728 2.5728 3.2906 3.2906 4.3978 4.3978 4.8863 4.8863 5.3147 5.3147 6.3651 6.3651 7.5575 7.5575 10.3468 10.3468 12.0878 12.0878 12.7945 12.7945 17.0010 17.0010 k = 0.1349 0.1648 0.5284 ( 1502 PWs) bands (ev): -12.6842 -12.6842 -8.3947 -8.3947 0.2150 0.2150 1.1535 1.1535 1.7068 1.7068 2.5728 2.5728 3.2967 3.2967 4.4287 4.4287 4.8773 4.8773 5.3389 5.3389 6.4255 6.4255 7.5426 7.5426 10.2646 10.2646 12.0253 12.0253 12.7613 12.7613 17.0669 17.0669 k = 0.1278 0.1561 0.5284 ( 1502 PWs) bands (ev): -12.6776 -12.6776 -8.4209 -8.4209 0.2158 0.2158 1.1461 1.1461 1.7307 1.7307 2.5748 2.5748 3.3021 3.3021 4.4494 4.4494 4.8757 4.8757 5.3629 5.3629 6.4848 6.4848 7.5278 7.5278 10.1864 10.1864 11.9622 11.9622 12.7270 12.7270 17.1327 17.1327 k = 0.1207 0.1474 0.5284 ( 1502 PWs) bands (ev): -12.6712 -12.6712 -8.4462 -8.4462 0.2147 0.2147 1.1393 1.1393 1.7568 1.7568 2.5791 2.5791 3.3069 3.3069 4.4584 4.4584 4.8832 4.8832 5.3864 5.3864 6.5425 6.5425 7.5132 7.5132 10.1128 10.1128 11.8982 11.8982 12.6923 12.6923 17.1980 17.1980 k = 0.1136 0.1388 0.5284 ( 1494 PWs) bands (ev): -12.6651 -12.6651 -8.4703 -8.4703 0.2120 0.2120 1.1331 1.1331 1.7846 1.7846 2.5857 2.5857 3.3112 3.3112 4.4554 4.4554 4.9002 4.9002 5.4093 5.4093 6.5977 6.5977 7.4989 7.4989 10.0448 10.0448 11.8330 11.8330 12.6579 12.6579 17.2625 17.2625 k = 0.1065 0.1301 0.5284 ( 1494 PWs) bands (ev): -12.6592 -12.6592 -8.4934 -8.4934 0.2077 0.2077 1.1276 1.1276 1.8134 1.8134 2.5948 2.5948 3.3151 3.3151 4.4419 4.4419 4.9252 4.9252 5.4314 5.4314 6.6499 6.6499 7.4850 7.4850 9.9830 9.9830 11.7663 11.7663 12.6242 12.6242 17.3260 17.3260 k = 0.0994 0.1214 0.5284 ( 1498 PWs) bands (ev): -12.6537 -12.6537 -8.5153 -8.5153 0.2022 0.2022 1.1228 1.1228 1.8427 1.8427 2.6064 2.6064 3.3186 3.3186 4.4201 4.4201 4.9561 4.9561 5.4528 5.4528 6.6983 6.6983 7.4716 7.4716 9.9283 9.9283 11.6982 11.6982 12.5918 12.5918 17.3880 17.3880 k = 0.0923 0.1127 0.5284 ( 1500 PWs) bands (ev): -12.6484 -12.6484 -8.5360 -8.5360 0.1958 0.1958 1.1185 1.1185 1.8717 1.8717 2.6207 2.6207 3.3219 3.3219 4.3922 4.3922 4.9909 4.9909 5.4731 5.4731 6.7424 6.7424 7.4586 7.4586 9.8811 9.8811 11.6287 11.6287 12.5612 12.5612 17.4483 17.4483 k = 0.0852 0.1041 0.5284 ( 1500 PWs) bands (ev): -12.6435 -12.6435 -8.5553 -8.5553 0.1886 0.1886 1.1147 1.1147 1.9000 1.9000 2.6376 2.6376 3.3249 3.3249 4.3601 4.3601 5.0277 5.0277 5.4925 5.4925 6.7816 6.7816 7.4463 7.4463 9.8421 9.8421 11.5581 11.5581 12.5325 12.5325 17.5063 17.5063 k = 0.0781 0.0954 0.5284 ( 1500 PWs) bands (ev): -12.6389 -12.6389 -8.5733 -8.5733 0.1810 0.1810 1.1115 1.1115 1.9269 1.9269 2.6570 2.6570 3.3278 3.3278 4.3251 4.3251 5.0652 5.0652 5.5107 5.5107 6.8157 6.8157 7.4346 7.4346 9.8114 9.8114 11.4867 11.4867 12.5059 12.5059 17.5618 17.5618 k = 0.0710 0.0867 0.5284 ( 1502 PWs) bands (ev): -12.6347 -12.6347 -8.5899 -8.5899 0.1733 0.1733 1.1087 1.1087 1.9519 1.9519 2.6788 2.6788 3.3305 3.3305 4.2883 4.2883 5.1024 5.1024 5.5278 5.5278 6.8445 6.8445 7.4237 7.4237 9.7892 9.7892 11.4150 11.4150 12.4817 12.4817 17.6144 17.6144 k = 0.0639 0.0781 0.5284 ( 1502 PWs) bands (ev): -12.6308 -12.6308 -8.6051 -8.6051 0.1655 0.1655 1.1063 1.1063 1.9748 1.9748 2.7025 2.7025 3.3332 3.3332 4.2508 4.2508 5.1385 5.1385 5.5437 5.5437 6.8680 6.8680 7.4136 7.4136 9.7753 9.7753 11.3438 11.3438 12.4599 12.4599 17.6636 17.6636 k = 0.0568 0.0694 0.5284 ( 1502 PWs) bands (ev): -12.6273 -12.6273 -8.6188 -8.6188 0.1580 0.1580 1.1043 1.1043 1.9953 1.9953 2.7276 2.7276 3.3358 3.3358 4.2133 4.2133 5.1727 5.1727 5.5582 5.5582 6.8864 6.8864 7.4044 7.4044 9.7691 9.7691 11.2740 11.2740 12.4405 12.4405 17.7091 17.7091 k = 0.0497 0.0607 0.5284 ( 1504 PWs) bands (ev): -12.6242 -12.6242 -8.6309 -8.6309 0.1510 0.1510 1.1026 1.1026 2.0132 2.0132 2.7532 2.7532 3.3384 3.3384 4.1768 4.1768 5.2045 5.2045 5.5714 5.5714 6.9001 6.9001 7.3961 7.3961 9.7699 9.7699 11.2064 11.2064 12.4235 12.4235 17.7504 17.7504 k = 0.0426 0.0520 0.5284 ( 1500 PWs) bands (ev): -12.6215 -12.6215 -8.6415 -8.6415 0.1446 0.1446 1.1012 1.1012 2.0284 2.0284 2.7787 2.7787 3.3410 3.3410 4.1421 4.1421 5.2334 5.2334 5.5831 5.5831 6.9098 6.9098 7.3889 7.3889 9.7763 9.7763 11.1425 11.1425 12.4089 12.4089 17.7871 17.7871 k = 0.0355 0.0434 0.5284 ( 1500 PWs) bands (ev): -12.6192 -12.6192 -8.6505 -8.6505 0.1389 0.1389 1.1001 1.1001 2.0411 2.0411 2.8028 2.8028 3.3435 3.3435 4.1102 4.1102 5.2587 5.2587 5.5933 5.5933 6.9161 6.9161 7.3827 7.3827 9.7870 9.7870 11.0837 11.0837 12.3966 12.3966 17.8189 17.8189 k = 0.0284 0.0347 0.5284 ( 1494 PWs) bands (ev): -12.6173 -12.6173 -8.6579 -8.6579 0.1341 0.1341 1.0992 1.0992 2.0514 2.0514 2.8246 2.8246 3.3459 3.3459 4.0821 4.0821 5.2802 5.2802 5.6018 5.6018 6.9199 6.9199 7.3775 7.3775 9.8000 9.8000 11.0317 11.0317 12.3867 12.3867 17.8454 17.8454 k = 0.0213 0.0260 0.5284 ( 1494 PWs) bands (ev): -12.6158 -12.6158 -8.6637 -8.6637 0.1303 0.1303 1.0985 1.0985 2.0592 2.0592 2.8429 2.8429 3.3480 3.3480 4.0588 4.0588 5.2972 5.2972 5.6086 5.6086 6.9218 6.9218 7.3735 7.3735 9.8133 9.8133 10.9883 10.9883 12.3790 12.3790 17.8663 17.8663 k = 0.0142 0.0173 0.5284 ( 1494 PWs) bands (ev): -12.6147 -12.6147 -8.6678 -8.6678 0.1275 0.1275 1.0980 1.0980 2.0647 2.0647 2.8568 2.8568 3.3498 3.3498 4.0413 4.0413 5.3097 5.3097 5.6136 5.6136 6.9226 6.9226 7.3706 7.3706 9.8247 9.8247 10.9555 10.9555 12.3735 12.3735 17.8814 17.8814 k = 0.0071 0.0087 0.5284 ( 1500 PWs) bands (ev): -12.6141 -12.6141 -8.6703 -8.6703 0.1258 0.1258 1.0977 1.0977 2.0679 2.0679 2.8655 2.8655 3.3509 3.3509 4.0304 4.0304 5.3172 5.3172 5.6166 5.6166 6.9229 6.9229 7.3688 7.3688 9.8325 9.8325 10.9350 10.9350 12.3702 12.3702 17.8906 17.8906 k = 0.0000 0.0000 0.5284 ( 1502 PWs) bands (ev): -12.6139 -12.6139 -8.6712 -8.6712 0.1252 0.1252 1.0976 1.0976 2.0690 2.0690 2.8685 2.8685 3.3513 3.3513 4.0267 4.0267 5.3198 5.3198 5.6176 5.6176 6.9229 6.9229 7.3682 7.3682 9.8352 9.8352 10.9280 10.9280 12.3691 12.3691 17.8936 17.8936 k = 0.0000 0.0000 0.5284 ( 1502 PWs) bands (ev): -12.6139 -12.6139 -8.6712 -8.6712 0.1252 0.1252 1.0976 1.0976 2.0690 2.0690 2.8685 2.8685 3.3513 3.3513 4.0267 4.0267 5.3198 5.3198 5.6176 5.6176 6.9229 6.9229 7.3682 7.3682 9.8352 9.8352 10.9280 10.9280 12.3691 12.3691 17.8936 17.8936 k = 0.0086-0.0071 0.5284 ( 1500 PWs) bands (ev): -12.6138 -12.6138 -8.6710 -8.6710 0.1252 0.1252 1.0979 1.0979 2.0688 2.0688 2.8685 2.8685 3.3509 3.3509 4.0266 4.0266 5.3184 5.3184 5.6162 5.6162 6.9232 6.9232 7.3700 7.3700 9.8363 9.8363 10.9303 10.9303 12.3694 12.3694 17.8922 17.8922 k = 0.0172-0.0141 0.5284 ( 1502 PWs) bands (ev): -12.6136 -12.6136 -8.6704 -8.6704 0.1250 0.1250 1.0987 1.0987 2.0683 2.0683 2.8684 2.8684 3.3497 3.3497 4.0266 4.0266 5.3142 5.3142 5.6121 5.6121 6.9240 6.9240 7.3753 7.3753 9.8396 9.8396 10.9374 10.9374 12.3704 12.3704 17.8879 17.8879 k = 0.0259-0.0212 0.5284 ( 1498 PWs) bands (ev): -12.6133 -12.6133 -8.6694 -8.6694 0.1247 0.1247 1.1001 1.1001 2.0674 2.0674 2.8682 2.8682 3.3476 3.3476 4.0266 4.0266 5.3073 5.3073 5.6054 5.6054 6.9253 6.9253 7.3838 7.3838 9.8452 9.8452 10.9491 10.9491 12.3721 12.3721 17.8807 17.8807 k = 0.0345-0.0282 0.5284 ( 1496 PWs) bands (ev): -12.6128 -12.6128 -8.6681 -8.6681 0.1243 0.1243 1.1020 1.1020 2.0662 2.0662 2.8680 2.8680 3.3448 3.3448 4.0266 4.0266 5.2979 5.2979 5.5962 5.5962 6.9271 6.9271 7.3954 7.3954 9.8529 9.8529 10.9654 10.9654 12.3745 12.3745 17.8705 17.8705 k = 0.0431-0.0353 0.5284 ( 1496 PWs) bands (ev): -12.6123 -12.6123 -8.6664 -8.6664 0.1237 0.1237 1.1044 1.1044 2.0646 2.0646 2.8678 2.8678 3.3413 3.3413 4.0265 4.0265 5.2862 5.2862 5.5847 5.5847 6.9292 6.9292 7.4096 7.4096 9.8630 9.8630 10.9862 10.9862 12.3775 12.3775 17.8572 17.8572 k = 0.0517-0.0424 0.5284 ( 1498 PWs) bands (ev): -12.6115 -12.6115 -8.6643 -8.6643 0.1230 0.1230 1.1073 1.1073 2.0627 2.0627 2.8676 2.8676 3.3369 3.3369 4.0264 4.0264 5.2725 5.2725 5.5711 5.5711 6.9315 6.9315 7.4262 7.4262 9.8753 9.8753 11.0112 11.0112 12.3812 12.3812 17.8408 17.8408 k = 0.0603-0.0494 0.5284 ( 1496 PWs) bands (ev): -12.6107 -12.6107 -8.6619 -8.6619 0.1222 0.1222 1.1107 1.1107 2.0605 2.0605 2.8674 2.8674 3.3318 3.3318 4.0263 4.0263 5.2571 5.2571 5.5556 5.5556 6.9341 6.9341 7.4446 7.4446 9.8900 9.8900 11.0404 11.0404 12.3856 12.3856 17.8210 17.8210 k = 0.0690-0.0565 0.5284 ( 1494 PWs) bands (ev): -12.6098 -12.6098 -8.6591 -8.6591 0.1213 0.1213 1.1145 1.1145 2.0579 2.0579 2.8671 2.8671 3.3260 3.3260 4.0262 4.0262 5.2402 5.2402 5.5386 5.5386 6.9367 6.9367 7.4643 7.4643 9.9072 9.9072 11.0736 11.0736 12.3907 12.3907 17.7979 17.7979 k = 0.0776-0.0635 0.5284 ( 1494 PWs) bands (ev): -12.6087 -12.6087 -8.6560 -8.6560 0.1202 0.1202 1.1188 1.1188 2.0550 2.0550 2.8670 2.8670 3.3195 3.3195 4.0259 4.0259 5.2223 5.2223 5.5204 5.5204 6.9393 6.9393 7.4848 7.4848 9.9267 9.9267 11.1104 11.1104 12.3965 12.3965 17.7712 17.7712 k = 0.0862-0.0706 0.5284 ( 1502 PWs) bands (ev): -12.6075 -12.6075 -8.6526 -8.6526 0.1190 0.1190 1.1235 1.1235 2.0518 2.0518 2.8669 2.8669 3.3123 3.3123 4.0256 4.0256 5.2035 5.2035 5.5012 5.5012 6.9417 6.9417 7.5055 7.5055 9.9487 9.9487 11.1508 11.1508 12.4031 12.4031 17.7409 17.7409 k = 0.0948-0.0776 0.5284 ( 1502 PWs) bands (ev): -12.6062 -12.6062 -8.6488 -8.6488 0.1177 0.1177 1.1286 1.1286 2.0483 2.0483 2.8669 2.8669 3.3045 3.3045 4.0253 4.0253 5.1842 5.1842 5.4813 5.4813 6.9440 6.9440 7.5260 7.5260 9.9732 9.9732 11.1944 11.1944 12.4104 12.4104 17.7068 17.7068 k = 0.1034-0.0847 0.5284 ( 1502 PWs) bands (ev): -12.6048 -12.6048 -8.6448 -8.6448 0.1162 0.1162 1.1340 1.1340 2.0445 2.0445 2.8670 2.8670 3.2962 3.2962 4.0248 4.0248 5.1647 5.1647 5.4611 5.4611 6.9459 6.9459 7.5458 7.5458 10.0001 10.0001 11.2409 11.2409 12.4185 12.4185 17.6689 17.6689 k = 0.1121-0.0918 0.5284 ( 1498 PWs) bands (ev): -12.6032 -12.6032 -8.6405 -8.6405 0.1145 0.1145 1.1397 1.1397 2.0405 2.0405 2.8674 2.8674 3.2873 3.2873 4.0243 4.0243 5.1452 5.1452 5.4407 5.4407 6.9475 6.9475 7.5644 7.5644 10.0294 10.0294 11.2900 11.2900 12.4274 12.4274 17.6272 17.6272 k = 0.1207-0.0988 0.5284 ( 1498 PWs) bands (ev): -12.6016 -12.6016 -8.6360 -8.6360 0.1128 0.1128 1.1456 1.1456 2.0362 2.0362 2.8679 2.8679 3.2779 3.2779 4.0236 4.0236 5.1260 5.1260 5.4206 5.4206 6.9486 6.9486 7.5814 7.5814 10.0610 10.0610 11.3415 11.3415 12.4370 12.4370 17.5815 17.5815 k = 0.1293-0.1059 0.5284 ( 1498 PWs) bands (ev): -12.5999 -12.5999 -8.6312 -8.6312 0.1108 0.1108 1.1518 1.1518 2.0317 2.0317 2.8687 2.8687 3.2681 3.2681 4.0227 4.0227 5.1072 5.1072 5.4009 5.4009 6.9493 6.9493 7.5964 7.5964 10.0948 10.0948 11.3950 11.3950 12.4474 12.4474 17.5321 17.5321 k = 0.1379-0.1129 0.5284 ( 1498 PWs) bands (ev): -12.5981 -12.5981 -8.6262 -8.6262 0.1087 0.1087 1.1581 1.1581 2.0270 2.0270 2.8698 2.8698 3.2581 3.2581 4.0217 4.0217 5.0890 5.0890 5.3820 5.3820 6.9494 6.9494 7.6091 7.6091 10.1307 10.1307 11.4502 11.4502 12.4586 12.4586 17.4790 17.4790 k = 0.1466-0.1200 0.5284 ( 1498 PWs) bands (ev): -12.5961 -12.5961 -8.6211 -8.6211 0.1064 0.1064 1.1645 1.1645 2.0221 2.0221 2.8711 2.8711 3.2477 3.2477 4.0205 4.0205 5.0715 5.0715 5.3639 5.3639 6.9490 6.9490 7.6192 7.6192 10.1685 10.1685 11.5067 11.5067 12.4706 12.4706 17.4225 17.4225 k = 0.1552-0.1271 0.5284 ( 1504 PWs) bands (ev): -12.5941 -12.5941 -8.6157 -8.6157 0.1040 0.1040 1.1710 1.1710 2.0171 2.0171 2.8729 2.8729 3.2372 3.2372 4.0191 4.0191 5.0549 5.0549 5.3470 5.3470 6.9481 6.9481 7.6264 7.6264 10.2080 10.2080 11.5643 11.5643 12.4832 12.4832 17.3626 17.3626 k = 0.1638-0.1341 0.5284 ( 1502 PWs) bands (ev): -12.5921 -12.5921 -8.6102 -8.6102 0.1014 0.1014 1.1775 1.1775 2.0120 2.0120 2.8750 2.8750 3.2267 3.2267 4.0174 4.0174 5.0393 5.0393 5.3315 5.3315 6.9466 6.9466 7.6307 7.6307 10.2490 10.2490 11.6226 11.6226 12.4966 12.4966 17.2999 17.2999 k = 0.1724-0.1412 0.5284 ( 1502 PWs) bands (ev): -12.5899 -12.5899 -8.6046 -8.6046 0.0986 0.0986 1.1839 1.1839 2.0068 2.0068 2.8775 2.8775 3.2163 3.2163 4.0155 4.0155 5.0247 5.0247 5.3174 5.3174 6.9445 6.9445 7.6317 7.6317 10.2911 10.2911 11.6812 11.6812 12.5107 12.5107 17.2346 17.2346 k = 0.1810-0.1482 0.5284 ( 1500 PWs) bands (ev): -12.5877 -12.5877 -8.5989 -8.5989 0.0956 0.0956 1.1902 1.1902 2.0016 2.0016 2.8804 2.8804 3.2061 3.2061 4.0133 4.0133 5.0112 5.0112 5.3049 5.3049 6.9418 6.9418 7.6296 7.6296 10.3341 10.3341 11.7398 11.7398 12.5255 12.5255 17.1672 17.1672 k = 0.1897-0.1553 0.5284 ( 1496 PWs) bands (ev): -12.5854 -12.5854 -8.5931 -8.5931 0.0924 0.0924 1.1964 1.1964 1.9965 1.9965 2.8837 2.8837 3.1962 3.1962 4.0109 4.0109 4.9989 4.9989 5.2942 5.2942 6.9385 6.9385 7.6240 7.6240 10.3777 10.3777 11.7980 11.7980 12.5407 12.5407 17.0982 17.0982 k = 0.1983-0.1624 0.5284 ( 1492 PWs) bands (ev): -12.5830 -12.5830 -8.5872 -8.5872 0.0891 0.0891 1.2023 1.2023 1.9914 1.9914 2.8874 2.8874 3.1869 3.1869 4.0081 4.0081 4.9878 4.9878 5.2853 5.2853 6.9347 6.9347 7.6151 7.6151 10.4215 10.4215 11.8556 11.8556 12.5565 12.5565 17.0281 17.0281 k = 0.2069-0.1694 0.5284 ( 1490 PWs) bands (ev): -12.5806 -12.5806 -8.5813 -8.5813 0.0856 0.0856 1.2079 1.2079 1.9864 1.9864 2.8915 2.8915 3.1782 3.1782 4.0050 4.0050 4.9778 4.9778 5.2783 5.2783 6.9304 6.9304 7.6027 7.6027 10.4654 10.4654 11.9122 11.9122 12.5725 12.5725 16.9575 16.9575 k = 0.2155-0.1765 0.5284 ( 1492 PWs) bands (ev): -12.5782 -12.5782 -8.5754 -8.5754 0.0819 0.0819 1.2132 1.2132 1.9817 1.9817 2.8959 2.8959 3.1705 3.1705 4.0015 4.0015 4.9691 4.9691 5.2733 5.2733 6.9255 6.9255 7.5870 7.5870 10.5088 10.5088 11.9674 11.9674 12.5888 12.5888 16.8869 16.8869 k = 0.2241-0.1835 0.5284 ( 1494 PWs) bands (ev): -12.5757 -12.5757 -8.5695 -8.5695 0.0780 0.0780 1.2180 1.2180 1.9772 1.9772 2.9005 2.9005 3.1638 3.1638 3.9976 3.9976 4.9617 4.9617 5.2702 5.2702 6.9201 6.9201 7.5679 7.5679 10.5517 10.5517 12.0209 12.0209 12.6050 12.6050 16.8170 16.8170 k = 0.2328-0.1906 0.5284 ( 1492 PWs) bands (ev): -12.5732 -12.5732 -8.5636 -8.5636 0.0739 0.0739 1.2223 1.2223 1.9730 1.9730 2.9052 2.9052 3.1584 3.1584 3.9933 3.9933 4.9555 4.9555 5.2692 5.2692 6.9143 6.9143 7.5454 7.5454 10.5937 10.5937 12.0725 12.0725 12.6212 12.6212 16.7483 16.7483 k = 0.2414-0.1977 0.5284 ( 1496 PWs) bands (ev): -12.5706 -12.5706 -8.5577 -8.5577 0.0696 0.0696 1.2260 1.2260 1.9693 1.9693 2.9100 2.9100 3.1545 3.1545 3.9887 3.9887 4.9506 4.9506 5.2700 5.2700 6.9080 6.9080 7.5197 7.5197 10.6345 10.6345 12.1220 12.1220 12.6370 12.6370 16.6814 16.6814 k = 0.2500-0.2047 0.5284 ( 1492 PWs) bands (ev): -12.5681 -12.5681 -8.5519 -8.5519 0.0652 0.0652 1.2291 1.2291 1.9660 1.9660 2.9147 2.9147 3.1523 3.1523 3.9836 3.9836 4.9471 4.9471 5.2727 5.2727 6.9012 6.9012 7.4907 7.4907 10.6739 10.6739 12.1689 12.1689 12.6524 12.6524 16.6169 16.6169 k = 0.2586-0.2118 0.5284 ( 1492 PWs) bands (ev): -12.5655 -12.5655 -8.5462 -8.5462 0.0606 0.0606 1.2315 1.2315 1.9632 1.9632 2.9192 2.9192 3.1520 3.1520 3.9781 3.9781 4.9448 4.9448 5.2773 5.2773 6.8941 6.8941 7.4586 7.4586 10.7118 10.7118 12.2131 12.2131 12.6670 12.6670 16.5553 16.5553 k = 0.2672-0.2188 0.5284 ( 1490 PWs) bands (ev): -12.5629 -12.5629 -8.5406 -8.5406 0.0559 0.0559 1.2331 1.2331 1.9611 1.9611 2.9234 2.9234 3.1538 3.1538 3.9722 3.9722 4.9440 4.9440 5.2836 5.2836 6.8866 6.8866 7.4234 7.4234 10.7480 10.7480 12.2544 12.2544 12.6807 12.6807 16.4969 16.4969 k = 0.2759-0.2259 0.5284 ( 1488 PWs) bands (ev): -12.5604 -12.5604 -8.5351 -8.5351 0.0511 0.0511 1.2340 1.2340 1.9597 1.9597 2.9272 2.9272 3.1578 3.1578 3.9659 3.9659 4.9446 4.9446 5.2915 5.2915 6.8787 6.8787 7.3853 7.3853 10.7823 10.7823 12.2927 12.2927 12.6932 12.6932 16.4423 16.4423 k = 0.2845-0.2329 0.5284 ( 1490 PWs) bands (ev): -12.5578 -12.5578 -8.5298 -8.5298 0.0462 0.0462 1.2340 1.2340 1.9590 1.9590 2.9305 2.9305 3.1639 3.1639 3.9591 3.9591 4.9467 4.9467 5.3009 5.3009 6.8705 6.8705 7.3444 7.3444 10.8147 10.8147 12.3277 12.3277 12.7044 12.7044 16.3918 16.3918 k = 0.2931-0.2400 0.5284 ( 1490 PWs) bands (ev): -12.5553 -12.5553 -8.5245 -8.5245 0.0411 0.0411 1.2331 1.2331 1.9591 1.9591 2.9334 2.9334 3.1723 3.1723 3.9520 3.9520 4.9502 4.9502 5.3118 5.3118 6.8619 6.8619 7.3008 7.3008 10.8451 10.8451 12.3594 12.3594 12.7142 12.7142 16.3455 16.3455 k = 0.3017-0.2471 0.5284 ( 1492 PWs) bands (ev): -12.5528 -12.5528 -8.5195 -8.5195 0.0360 0.0360 1.2314 1.2314 1.9600 1.9600 2.9360 2.9360 3.1827 3.1827 3.9444 3.9444 4.9554 4.9554 5.3239 5.3239 6.8530 6.8530 7.2546 7.2546 10.8734 10.8734 12.3877 12.3877 12.7224 12.7224 16.3038 16.3038 k = 0.3103-0.2541 0.5284 ( 1494 PWs) bands (ev): -12.5504 -12.5504 -8.5146 -8.5146 0.0308 0.0308 1.2289 1.2289 1.9618 1.9618 2.9383 2.9383 3.1951 3.1951 3.9364 3.9364 4.9621 4.9621 5.3371 5.3371 6.8436 6.8436 7.2062 7.2062 10.8997 10.8997 12.4126 12.4126 12.7290 12.7290 16.2667 16.2667 k = 0.3190-0.2612 0.5284 ( 1494 PWs) bands (ev): -12.5480 -12.5480 -8.5098 -8.5098 0.0257 0.0257 1.2255 1.2255 1.9643 1.9643 2.9403 2.9403 3.2092 3.2092 3.9280 3.9280 4.9706 4.9706 5.3514 5.3514 6.8337 6.8337 7.1557 7.1557 10.9239 10.9239 12.4341 12.4341 12.7338 12.7338 16.2343 16.2343 k = 0.3276-0.2682 0.5284 ( 1492 PWs) bands (ev): -12.5456 -12.5456 -8.5053 -8.5053 0.0205 0.0205 1.2214 1.2214 1.9677 1.9677 2.9423 2.9423 3.2249 3.2249 3.9193 3.9193 4.9808 4.9808 5.3665 5.3665 6.8231 6.8231 7.1036 7.1036 10.9462 10.9462 12.4523 12.4523 12.7371 12.7371 16.2065 16.2065 k = 0.3362-0.2753 0.5284 ( 1500 PWs) bands (ev): -12.5433 -12.5433 -8.5010 -8.5010 0.0153 0.0153 1.2165 1.2165 1.9718 1.9718 2.9442 2.9442 3.2420 3.2420 3.9102 3.9102 4.9928 4.9928 5.3823 5.3823 6.8113 6.8113 7.0505 7.0505 10.9664 10.9664 12.4672 12.4672 12.7386 12.7386 16.1832 16.1832 k = 0.3448-0.2824 0.5284 ( 1500 PWs) bands (ev): -12.5411 -12.5411 -8.4968 -8.4968 0.0102 0.0102 1.2110 1.2110 1.9767 1.9767 2.9463 2.9463 3.2601 3.2601 3.9008 3.9008 5.0068 5.0068 5.3987 5.3987 6.7974 6.7974 6.9974 6.9974 10.9848 10.9848 12.4791 12.4791 12.7386 12.7386 16.1641 16.1641 k = 0.3534-0.2894 0.5284 ( 1500 PWs) bands (ev): -12.5389 -12.5389 -8.4929 -8.4929 0.0052 0.0052 1.2050 1.2050 1.9821 1.9821 2.9484 2.9484 3.2792 3.2792 3.8910 3.8910 5.0226 5.0226 5.4156 5.4156 6.7800 6.7800 6.9463 6.9463 11.0014 11.0014 12.4882 12.4882 12.7372 12.7372 16.1491 16.1491 k = 0.3621-0.2965 0.5284 ( 1504 PWs) bands (ev): -12.5368 -12.5368 -8.4892 -8.4892 0.0003 0.0003 1.1986 1.1986 1.9881 1.9881 2.9507 2.9507 3.2990 3.2990 3.8811 3.8811 5.0405 5.0405 5.4327 5.4327 6.7558 6.7558 6.9003 6.9003 11.0163 11.0163 12.4946 12.4946 12.7345 12.7345 16.1378 16.1378 k = 0.3707-0.3035 0.5284 ( 1504 PWs) bands (ev): -12.5348 -12.5348 -8.4856 -8.4856 -0.0045 -0.0045 1.1918 1.1918 1.9944 1.9944 2.9531 2.9531 3.3192 3.3192 3.8709 3.8709 5.0604 5.0604 5.4500 5.4500 6.7211 6.7211 6.8635 6.8635 11.0295 11.0295 12.4987 12.4987 12.7307 12.7307 16.1299 16.1299 k = 0.3793-0.3106 0.5284 ( 1508 PWs) bands (ev): -12.5329 -12.5329 -8.4824 -8.4824 -0.0091 -0.0091 1.1848 1.1848 2.0011 2.0011 2.9557 2.9557 3.3398 3.3398 3.8605 3.8605 5.0823 5.0823 5.4674 5.4674 6.6747 6.6747 6.8373 6.8373 11.0413 11.0413 12.5006 12.5006 12.7260 12.7260 16.1250 16.1250 k = 0.3879-0.3177 0.5284 ( 1506 PWs) bands (ev): -12.5311 -12.5311 -8.4793 -8.4793 -0.0135 -0.0135 1.1778 1.1778 2.0080 2.0080 2.9585 2.9585 3.3604 3.3604 3.8500 3.8500 5.1063 5.1063 5.4848 5.4848 6.6196 6.6196 6.8192 6.8192 11.0516 11.0516 12.5008 12.5008 12.7205 12.7205 16.1226 16.1226 k = 0.3966-0.3247 0.5284 ( 1506 PWs) bands (ev): -12.5295 -12.5295 -8.4765 -8.4765 -0.0178 -0.0178 1.1707 1.1707 2.0149 2.0149 2.9614 2.9614 3.3808 3.3808 3.8393 3.8393 5.1324 5.1324 5.5021 5.5021 6.5591 6.5591 6.8058 6.8058 11.0606 11.0606 12.4996 12.4996 12.7144 12.7144 16.1225 16.1225 k = 0.4052-0.3318 0.5284 ( 1506 PWs) bands (ev): -12.5279 -12.5279 -8.4738 -8.4738 -0.0217 -0.0217 1.1638 1.1638 2.0218 2.0218 2.9644 2.9644 3.4010 3.4010 3.8287 3.8287 5.1603 5.1603 5.5194 5.5194 6.4956 6.4956 6.7954 6.7954 11.0684 11.0684 12.4971 12.4971 12.7080 12.7080 16.1241 16.1241 k = 0.4138-0.3388 0.5284 ( 1502 PWs) bands (ev): -12.5264 -12.5264 -8.4714 -8.4714 -0.0254 -0.0254 1.1571 1.1571 2.0285 2.0285 2.9674 2.9674 3.4206 3.4206 3.8181 3.8181 5.1900 5.1900 5.5366 5.5366 6.4303 6.4303 6.7868 6.7868 11.0752 11.0752 12.4938 12.4938 12.7015 12.7015 16.1271 16.1271 k = 0.4224-0.3459 0.5284 ( 1498 PWs) bands (ev): -12.5251 -12.5251 -8.4693 -8.4693 -0.0289 -0.0289 1.1507 1.1507 2.0350 2.0350 2.9704 2.9704 3.4395 3.4395 3.8076 3.8076 5.2212 5.2212 5.5539 5.5539 6.3641 6.3641 6.7795 6.7795 11.0810 11.0810 12.4899 12.4899 12.6949 12.6949 16.1311 16.1311 k = 0.4310-0.3529 0.5284 ( 1496 PWs) bands (ev): -12.5239 -12.5239 -8.4673 -8.4673 -0.0320 -0.0320 1.1447 1.1447 2.0410 2.0410 2.9733 2.9733 3.4575 3.4575 3.7974 3.7974 5.2535 5.2535 5.5716 5.5716 6.2976 6.2976 6.7732 6.7732 11.0859 11.0859 12.4856 12.4856 12.6886 12.6886 16.1358 16.1358 k = 0.4397-0.3600 0.5284 ( 1492 PWs) bands (ev): -12.5228 -12.5228 -8.4656 -8.4656 -0.0348 -0.0348 1.1393 1.1393 2.0466 2.0466 2.9761 2.9761 3.4744 3.4744 3.7875 3.7875 5.2863 5.2863 5.5901 5.5901 6.2313 6.2313 6.7678 6.7678 11.0899 11.0899 12.4813 12.4813 12.6826 12.6826 16.1408 16.1408 k = 0.4483-0.3671 0.5284 ( 1494 PWs) bands (ev): -12.5219 -12.5219 -8.4642 -8.4642 -0.0372 -0.0372 1.1344 1.1344 2.0516 2.0516 2.9787 2.9787 3.4900 3.4900 3.7781 3.7781 5.3186 5.3186 5.6100 5.6100 6.1657 6.1657 6.7632 6.7632 11.0932 11.0932 12.4770 12.4770 12.6770 12.6770 16.1457 16.1457 k = 0.4569-0.3741 0.5284 ( 1494 PWs) bands (ev): -12.5211 -12.5211 -8.4629 -8.4629 -0.0393 -0.0393 1.1302 1.1302 2.0560 2.0560 2.9810 2.9810 3.5040 3.5040 3.7694 3.7694 5.3493 5.3493 5.6322 5.6322 6.1011 6.1011 6.7594 6.7594 11.0959 11.0959 12.4731 12.4731 12.6722 12.6722 16.1503 16.1503 k = 0.4655-0.3812 0.5284 ( 1494 PWs) bands (ev): -12.5204 -12.5204 -8.4619 -8.4619 -0.0411 -0.0411 1.1266 1.1266 2.0596 2.0596 2.9829 2.9829 3.5162 3.5162 3.7617 3.7617 5.3771 5.3771 5.6578 5.6578 6.0381 6.0381 6.7562 6.7562 11.0981 11.0981 12.4697 12.4697 12.6681 12.6681 16.1544 16.1544 k = 0.4741-0.3882 0.5284 ( 1498 PWs) bands (ev): -12.5199 -12.5199 -8.4611 -8.4611 -0.0425 -0.0425 1.1238 1.1238 2.0625 2.0625 2.9845 2.9845 3.5262 3.5262 3.7552 3.7552 5.4003 5.4003 5.6879 5.6879 5.9771 5.9771 6.7538 6.7538 11.0996 11.0996 12.4668 12.4668 12.6648 12.6648 16.1577 16.1577 k = 0.4828-0.3953 0.5284 ( 1494 PWs) bands (ev): -12.5195 -12.5195 -8.4605 -8.4605 -0.0434 -0.0434 1.1218 1.1218 2.0646 2.0646 2.9857 2.9857 3.5336 3.5336 3.7502 3.7502 5.4177 5.4177 5.7232 5.7232 5.9189 5.9189 6.7521 6.7521 11.1008 11.1008 12.4647 12.4647 12.6624 12.6624 16.1603 16.1603 k = 0.4914-0.4024 0.5284 ( 1496 PWs) bands (ev): -12.5193 -12.5193 -8.4602 -8.4602 -0.0440 -0.0440 1.1206 1.1206 2.0659 2.0659 2.9864 2.9864 3.5383 3.5383 3.7471 3.7471 5.4283 5.4283 5.7637 5.7637 5.8644 5.8644 6.7510 6.7510 11.1014 11.1014 12.4634 12.4634 12.6608 12.6608 16.1618 16.1618 k = 0.5000-0.4094 0.5284 ( 1486 PWs) bands (ev): -12.5192 -12.5192 -8.4601 -8.4601 -0.0442 -0.0442 1.1202 1.1202 2.0663 2.0663 2.9866 2.9866 3.5399 3.5399 3.7460 3.7460 5.4319 5.4319 5.7996 5.7996 5.8238 5.8238 6.7507 6.7507 11.1016 11.1016 12.4630 12.4630 12.6604 12.6604 16.1624 16.1624 k = 0.5000-0.4094 0.5284 ( 1486 PWs) bands (ev): -12.5192 -12.5192 -8.4601 -8.4601 -0.0442 -0.0442 1.1202 1.1202 2.0663 2.0663 2.9866 2.9866 3.5399 3.5399 3.7460 3.7460 5.4319 5.4319 5.7996 5.7996 5.8238 5.8238 6.7507 6.7507 11.1016 11.1016 12.4630 12.4630 12.6604 12.6604 16.1624 16.1624 k = 0.4985-0.4112 0.5284 ( 1484 PWs) bands (ev): -12.5193 -12.5193 -8.4600 -8.4600 -0.0441 -0.0441 1.1202 1.1202 2.0662 2.0662 2.9865 2.9865 3.5396 3.5396 3.7464 3.7464 5.4319 5.4319 5.7994 5.7994 5.8240 5.8240 6.7507 6.7507 11.1017 11.1017 12.4631 12.4631 12.6605 12.6605 16.1624 16.1624 k = 0.6662-0.2064 0.2651 ( 1490 PWs) bands (ev): -12.8919 -12.8919 -7.5879 -7.5879 0.0874 0.0874 1.2209 1.2209 1.8019 1.8019 2.5026 2.5026 3.0190 3.0190 3.5967 3.5967 4.4198 4.4198 4.9551 4.9551 5.9851 5.9851 7.8065 7.8065 11.5725 11.5725 12.3723 12.3723 14.3770 14.3770 15.7470 15.7470 k = 0.6640-0.2091 0.2547 ( 1494 PWs) bands (ev): -12.9101 -12.9101 -7.5306 -7.5306 0.0632 0.0632 1.2211 1.2211 1.7954 1.7954 2.4993 2.4993 3.0131 3.0131 3.5798 3.5798 4.3819 4.3819 4.8584 4.8584 6.0075 6.0075 7.8577 7.8577 11.5806 11.5806 12.4384 12.4384 14.4909 14.4909 15.7029 15.7029 k = 0.6618-0.2118 0.2442 ( 1492 PWs) bands (ev): -12.9286 -12.9286 -7.4712 -7.4712 0.0377 0.0377 1.2211 1.2211 1.7882 1.7882 2.4959 2.4959 3.0071 3.0071 3.5614 3.5614 4.3415 4.3415 4.7650 4.7650 6.0315 6.0315 7.9091 7.9091 11.5830 11.5830 12.5134 12.5134 14.5996 14.5996 15.6678 15.6678 k = 0.6596-0.2145 0.2338 ( 1492 PWs) bands (ev): -12.9473 -12.9473 -7.4100 -7.4100 0.0110 0.0110 1.2207 1.2207 1.7806 1.7806 2.4925 2.4925 3.0005 3.0005 3.5414 3.5414 4.2969 4.2969 4.6778 4.6778 6.0566 6.0566 7.9606 7.9606 11.5815 11.5815 12.5948 12.5948 14.6988 14.6988 15.6460 15.6460 k = 0.6574-0.2172 0.2233 ( 1492 PWs) bands (ev): -12.9661 -12.9661 -7.3472 -7.3472 -0.0169 -0.0169 1.2199 1.2199 1.7725 1.7725 2.4891 2.4891 2.9931 2.9931 3.5199 3.5199 4.2465 4.2465 4.5999 4.5999 6.0827 6.0827 8.0120 8.0120 11.5774 11.5774 12.6808 12.6808 14.7826 14.7826 15.6430 15.6430 k = 0.6552-0.2199 0.2129 ( 1492 PWs) bands (ev): -12.9849 -12.9849 -7.2831 -7.2831 -0.0458 -0.0458 1.2187 1.2187 1.7640 1.7640 2.4859 2.4859 2.9842 2.9842 3.4968 3.4968 4.1890 4.1890 4.5336 4.5336 6.1094 6.1094 8.0631 8.0631 11.5714 11.5714 12.7698 12.7698 14.8450 14.8450 15.6649 15.6649 k = 0.6530-0.2226 0.2025 ( 1486 PWs) bands (ev): -13.0036 -13.0036 -7.2179 -7.2179 -0.0755 -0.0755 1.2171 1.2171 1.7552 1.7552 2.4829 2.4829 2.9732 2.9732 3.4722 3.4722 4.1251 4.1251 4.4797 4.4797 6.1368 6.1368 8.1138 8.1138 11.5642 11.5642 12.8606 12.8606 14.8819 14.8819 15.7154 15.7154 k = 0.6508-0.2253 0.1920 ( 1486 PWs) bands (ev): -13.0221 -13.0221 -7.1519 -7.1519 -0.1059 -0.1059 1.2149 1.2149 1.7459 1.7459 2.4802 2.4802 2.9593 2.9593 3.4461 3.4461 4.0571 4.0571 4.4368 4.4368 6.1647 6.1647 8.1637 8.1637 11.5563 11.5563 12.9521 12.9521 14.8944 14.8944 15.7931 15.7931 k = 0.6486-0.2280 0.1816 ( 1489 PWs) bands (ev): -13.0403 -13.0403 -7.0853 -7.0853 -0.1369 -0.1369 1.2123 1.2123 1.7363 1.7363 2.4780 2.4780 2.9416 2.9416 3.4190 3.4190 3.9883 3.9883 4.4027 4.4027 6.1931 6.1931 8.2128 8.2128 11.5478 11.5478 13.0435 13.0435 14.8877 14.8877 15.8926 15.8926 k = 0.6464-0.2307 0.1711 ( 1493 PWs) bands (ev): -13.0581 -13.0581 -7.0184 -7.0184 -0.1681 -0.1681 1.2092 1.2092 1.7264 1.7264 2.4761 2.4761 2.9190 2.9190 3.3915 3.3915 3.9219 3.9219 4.3752 4.3752 6.2219 6.2219 8.2609 8.2609 11.5389 11.5389 13.1343 13.1343 14.8676 14.8676 16.0074 16.0074 k = 0.6442-0.2334 0.1607 ( 1493 PWs) bands (ev): -13.0755 -13.0755 -6.9516 -6.9516 -0.1995 -0.1995 1.2056 1.2056 1.7160 1.7160 2.4748 2.4748 2.8905 2.8905 3.3643 3.3643 3.8601 3.8601 4.3526 4.3526 6.2511 6.2511 8.3077 8.3077 11.5296 11.5296 13.2239 13.2239 14.8392 14.8392 16.1320 16.1320 k = 0.6420-0.2361 0.1503 ( 1491 PWs) bands (ev): -13.0924 -13.0924 -6.8851 -6.8851 -0.2308 -0.2308 1.2014 1.2014 1.7053 1.7053 2.4739 2.4739 2.8556 2.8556 3.3383 3.3383 3.8044 3.8044 4.3338 4.3338 6.2806 6.2806 8.3530 8.3530 11.5200 11.5200 13.3119 13.3119 14.8059 14.8059 16.2621 16.2621 k = 0.6398-0.2387 0.1398 ( 1493 PWs) bands (ev): -13.1087 -13.1087 -6.8193 -6.8193 -0.2617 -0.2617 1.1966 1.1966 1.6942 1.6942 2.4733 2.4733 2.8143 2.8143 3.3142 3.3142 3.7555 3.7555 4.3180 4.3180 6.3104 6.3104 8.3968 8.3968 11.5100 11.5100 13.3976 13.3976 14.7702 14.7702 16.3943 16.3943 k = 0.6375-0.2414 0.1294 ( 1495 PWs) bands (ev): -13.1244 -13.1244 -6.7545 -6.7545 -0.2919 -0.2919 1.1912 1.1912 1.6826 1.6826 2.4726 2.4726 2.7672 2.7672 3.2925 3.2925 3.7134 3.7134 4.3045 4.3045 6.3404 6.3404 8.4388 8.4388 11.4994 11.4994 13.4808 13.4808 14.7337 14.7337 16.5260 16.5260 k = 0.6353-0.2441 0.1189 ( 1493 PWs) bands (ev): -13.1394 -13.1394 -6.6910 -6.6910 -0.3213 -0.3213 1.1853 1.1853 1.6705 1.6705 2.4710 2.4710 2.7164 2.7164 3.2733 3.2733 3.6779 3.6779 4.2930 4.2930 6.3706 6.3706 8.4787 8.4787 11.4884 11.4884 13.5611 13.5611 14.6976 14.6976 16.6546 16.6546 k = 0.6331-0.2468 0.1085 ( 1493 PWs) bands (ev): -13.1536 -13.1536 -6.6293 -6.6293 -0.3494 -0.3494 1.1787 1.1787 1.6579 1.6579 2.4665 2.4665 2.6651 2.6651 3.2562 3.2562 3.6484 3.6484 4.2831 4.2831 6.4010 6.4010 8.5165 8.5165 11.4767 11.4767 13.6381 13.6381 14.6627 14.6627 16.7776 16.7776 k = 0.6309-0.2495 0.0980 ( 1493 PWs) bands (ev): -13.1670 -13.1670 -6.5696 -6.5696 -0.3760 -0.3760 1.1714 1.1714 1.6447 1.6447 2.4552 2.4552 2.6190 2.6190 3.2408 3.2408 3.6244 3.6244 4.2747 4.2747 6.4314 6.4314 8.5520 8.5520 11.4643 11.4643 13.7115 13.7115 14.6298 14.6298 16.8925 16.8925 k = 0.6287-0.2522 0.0876 ( 1493 PWs) bands (ev): -13.1795 -13.1795 -6.5124 -6.5124 -0.4006 -0.4006 1.1634 1.1634 1.6309 1.6309 2.4308 2.4308 2.5859 2.5859 3.2266 3.2266 3.6054 3.6054 4.2675 4.2675 6.4620 6.4620 8.5849 8.5849 11.4511 11.4511 13.7809 13.7809 14.5994 14.5994 16.9969 16.9969 k = 0.6265-0.2549 0.0772 ( 1493 PWs) bands (ev): -13.1912 -13.1912 -6.4581 -6.4581 -0.4230 -0.4230 1.1546 1.1546 1.6164 1.6164 2.3908 2.3908 2.5697 2.5697 3.2132 3.2132 3.5908 3.5908 4.2615 4.2615 6.4925 6.4925 8.6151 8.6151 11.4370 11.4370 13.8458 13.8458 14.5722 14.5722 17.0887 17.0887 k = 0.6243-0.2576 0.0667 ( 1498 PWs) bands (ev): -13.2019 -13.2019 -6.4070 -6.4070 -0.4428 -0.4428 1.1448 1.1448 1.6013 1.6013 2.3406 2.3406 2.5662 2.5662 3.2002 3.2002 3.5803 3.5803 4.2564 4.2564 6.5230 6.5230 8.6424 8.6424 11.4220 11.4220 13.9056 13.9056 14.5487 14.5487 17.1664 17.1664 k = 0.6221-0.2603 0.0563 ( 1498 PWs) bands (ev): -13.2116 -13.2116 -6.3596 -6.3596 -0.4596 -0.4596 1.1341 1.1341 1.5855 1.5855 2.2868 2.2868 2.5699 2.5699 3.1874 3.1874 3.5733 3.5733 4.2523 4.2523 6.5533 6.5533 8.6667 8.6667 11.4059 11.4059 13.9602 13.9602 14.5294 14.5294 17.2297 17.2297 k = 0.6199-0.2630 0.0458 ( 1500 PWs) bands (ev): -13.2203 -13.2203 -6.3162 -6.3162 -0.4730 -0.4730 1.1222 1.1222 1.5691 1.5691 2.2330 2.2330 2.5777 2.5777 3.1748 3.1748 3.5696 3.5696 4.2491 4.2491 6.5835 6.5835 8.6878 8.6878 11.3889 11.3889 14.0089 14.0089 14.5150 14.5150 17.2790 17.2790 k = 0.6177-0.2657 0.0354 ( 1504 PWs) bands (ev): -13.2280 -13.2280 -6.2771 -6.2771 -0.4826 -0.4826 1.1089 1.1089 1.5521 1.5521 2.1813 2.1813 2.5884 2.5884 3.1623 3.1623 3.5686 3.5686 4.2467 4.2467 6.6134 6.6134 8.7056 8.7056 11.3707 11.3707 14.0512 14.0512 14.5058 14.5058 17.3159 17.3159 k = 0.6155-0.2684 0.0250 ( 1504 PWs) bands (ev): -13.2346 -13.2346 -6.2429 -6.2429 -0.4881 -0.4881 1.0942 1.0942 1.5349 1.5349 2.1330 2.1330 2.6011 2.6011 3.1501 3.1501 3.5701 3.5701 4.2451 4.2451 6.6431 6.6431 8.7199 8.7199 11.3513 11.3513 14.0869 14.0869 14.5021 14.5021 17.3424 17.3424 k = 0.6133-0.2711 0.0145 ( 1505 PWs) bands (ev): -13.2400 -13.2400 -6.2137 -6.2137 -0.4892 -0.4892 1.0778 1.0778 1.5175 1.5175 2.0885 2.0885 2.6155 2.6155 3.1381 3.1381 3.5737 3.5737 4.2443 4.2443 6.6724 6.6724 8.7307 8.7307 11.3309 11.3309 14.1162 14.1162 14.5038 14.5038 17.3606 17.3606 k = 0.6111-0.2738 0.0041 ( 1509 PWs) bands (ev): -13.2444 -13.2444 -6.1898 -6.1898 -0.4856 -0.4856 1.0597 1.0597 1.5003 1.5003 2.0485 2.0485 2.6313 2.6313 3.1265 3.1265 3.5793 3.5793 4.2443 4.2443 6.7012 6.7012 8.7379 8.7379 11.3092 11.3092 14.1396 14.1396 14.5103 14.5103 17.3723 17.3723 k = 0.6089-0.2765-0.0064 ( 1505 PWs) bands (ev): -13.2476 -13.2476 -6.1716 -6.1716 -0.4770 -0.4770 1.0396 1.0396 1.4836 1.4836 2.0128 2.0128 2.6484 2.6484 3.1155 3.1155 3.5864 3.5864 4.2450 4.2450 6.7296 6.7296 8.7412 8.7412 11.2865 11.2865 14.1583 14.1583 14.5207 14.5207 17.3793 17.3793 k = 0.6067-0.2792-0.0168 ( 1503 PWs) bands (ev): -13.2497 -13.2497 -6.1591 -6.1591 -0.4632 -0.4632 1.0177 1.0177 1.4678 1.4678 1.9817 1.9817 2.6665 2.6665 3.1052 3.1052 3.5950 3.5950 4.2465 4.2465 6.7573 6.7573 8.7409 8.7409 11.2626 11.2626 14.1734 14.1734 14.5332 14.5332 17.3828 17.3828 k = 0.6044-0.2819-0.0272 ( 1504 PWs) bands (ev): -13.2506 -13.2506 -6.1527 -6.1527 -0.4441 -0.4441 0.9940 0.9940 1.4531 1.4531 1.9548 1.9548 2.6856 2.6856 3.0957 3.0957 3.6049 3.6049 4.2487 4.2487 6.7845 6.7845 8.7366 8.7366 11.2377 11.2377 14.1863 14.1863 14.5466 14.5466 17.3839 17.3839 k = 0.6022-0.2846-0.0377 ( 1504 PWs) bands (ev): -13.2504 -13.2504 -6.1522 -6.1522 -0.4197 -0.4197 0.9687 0.9687 1.4397 1.4397 1.9320 1.9320 2.7054 2.7054 3.0872 3.0872 3.6159 3.6159 4.2518 4.2518 6.8109 6.8109 8.7284 8.7284 11.2118 11.2118 14.1983 14.1983 14.5597 14.5597 17.3832 17.3832 k = 0.6000-0.2873-0.0481 ( 1506 PWs) bands (ev): -13.2489 -13.2489 -6.1578 -6.1578 -0.3899 -0.3899 0.9421 0.9421 1.4278 1.4278 1.9131 1.9131 2.7258 2.7258 3.0799 3.0799 3.6278 3.6278 4.2558 4.2558 6.8366 6.8366 8.7164 8.7164 11.1849 11.1849 14.2100 14.2100 14.5713 14.5713 17.3813 17.3813 k = 0.5978-0.2900-0.0586 ( 1504 PWs) bands (ev): -13.2463 -13.2463 -6.1695 -6.1695 -0.3549 -0.3549 0.9146 0.9146 1.4173 1.4173 1.8978 1.8978 2.7467 2.7467 3.0740 3.0740 3.6407 3.6407 4.2606 4.2606 6.8614 6.8614 8.7005 8.7005 11.1573 11.1573 14.2224 14.2224 14.5809 14.5809 17.3788 17.3788 k = 0.5956-0.2926-0.0690 ( 1502 PWs) bands (ev): -13.2425 -13.2425 -6.1870 -6.1870 -0.3150 -0.3150 0.8867 0.8867 1.4083 1.4083 1.8859 1.8859 2.7677 2.7677 3.0696 3.0696 3.6544 3.6544 4.2664 4.2664 6.8852 6.8852 8.6807 8.6807 11.1290 11.1290 14.2356 14.2356 14.5879 14.5879 17.3757 17.3757 k = 0.5934-0.2953-0.0794 ( 1505 PWs) bands (ev): -13.2375 -13.2375 -6.2104 -6.2104 -0.2704 -0.2704 0.8588 0.8588 1.4006 1.4006 1.8771 1.8771 2.7886 2.7886 3.0672 3.0672 3.6689 3.6689 4.2732 4.2732 6.9080 6.9080 8.6571 8.6571 11.1001 11.1001 14.2499 14.2499 14.5917 14.5917 17.3721 17.3721 k = 0.5912-0.2980-0.0899 ( 1505 PWs) bands (ev): -13.2313 -13.2313 -6.2393 -6.2393 -0.2217 -0.2217 0.8316 0.8316 1.3941 1.3941 1.8715 1.8715 2.8091 2.8091 3.0670 3.0670 3.6841 3.6841 4.2810 4.2810 6.9297 6.9297 8.6298 8.6298 11.0708 11.0708 14.2652 14.2652 14.5925 14.5925 17.3682 17.3682 k = 0.5890-0.3007-0.1003 ( 1505 PWs) bands (ev): -13.2239 -13.2239 -6.2736 -6.2736 -0.1694 -0.1694 0.8058 0.8058 1.3886 1.3886 1.8687 1.8687 2.8288 2.8288 3.0694 3.0694 3.7000 3.7000 4.2900 4.2900 6.9501 6.9501 8.5987 8.5987 11.0413 11.0413 14.2812 14.2812 14.5904 14.5904 17.3637 17.3637 k = 0.5868-0.3034-0.1108 ( 1503 PWs) bands (ev): -13.2154 -13.2154 -6.3130 -6.3130 -0.1145 -0.1145 0.7819 0.7819 1.3840 1.3840 1.8688 1.8688 2.8473 2.8473 3.0747 3.0747 3.7166 3.7166 4.3001 4.3001 6.9693 6.9693 8.5641 8.5641 11.0118 11.0118 14.2972 14.2972 14.5857 14.5857 17.3583 17.3583 k = 0.5846-0.3061-0.1212 ( 1502 PWs) bands (ev): -13.2057 -13.2057 -6.3571 -6.3571 -0.0579 -0.0579 0.7611 0.7611 1.3801 1.3801 1.8715 1.8715 2.8642 2.8642 3.0834 3.0834 3.7339 3.7339 4.3115 4.3115 6.9870 6.9870 8.5259 8.5259 10.9824 10.9824 14.3120 14.3120 14.5795 14.5795 17.3516 17.3516 k = 0.5824-0.3088-0.1317 ( 1498 PWs) bands (ev): -13.1949 -13.1949 -6.4056 -6.4056 -0.0011 -0.0011 0.7443 0.7443 1.3768 1.3768 1.8770 1.8770 2.8793 2.8793 3.0955 3.0955 3.7520 3.7520 4.3242 4.3242 7.0033 7.0033 8.4844 8.4844 10.9534 10.9534 14.3237 14.3237 14.5735 14.5735 17.3429 17.3429 k = 0.5824-0.3088-0.1317 ( 1498 PWs) bands (ev): -13.1949 -13.1949 -6.4056 -6.4056 -0.0011 -0.0011 0.7443 0.7443 1.3768 1.3768 1.8770 1.8770 2.8793 2.8793 3.0955 3.0955 3.7520 3.7520 4.3242 4.3242 7.0033 7.0033 8.4844 8.4844 10.9534 10.9534 14.3237 14.3237 14.5735 14.5735 17.3429 17.3429 k = 0.5775-0.3147-0.1239 ( 1500 PWs) bands (ev): -13.2058 -13.2058 -6.3603 -6.3603 -0.0576 -0.0576 0.7689 0.7689 1.3846 1.3846 1.9125 1.9125 2.8696 2.8696 3.0958 3.0958 3.7149 3.7149 4.2984 4.2984 6.9681 6.9681 8.5204 8.5204 10.9562 10.9562 14.3006 14.3006 14.5663 14.5663 17.3487 17.3487 k = 0.5727-0.3207-0.1162 ( 1502 PWs) bands (ev): -13.2163 -13.2163 -6.3158 -6.3158 -0.1144 -0.1144 0.7946 0.7946 1.3943 1.3943 1.9505 1.9505 2.8575 2.8575 3.0941 3.0941 3.6768 3.6768 4.2748 4.2748 6.9322 6.9322 8.5549 8.5549 10.9619 10.9619 14.2774 14.2774 14.5585 14.5585 17.3549 17.3549 k = 0.5678-0.3266-0.1084 ( 1500 PWs) bands (ev): -13.2265 -13.2265 -6.2723 -6.2723 -0.1707 -0.1707 0.8203 0.8203 1.4059 1.4059 1.9910 1.9910 2.8431 2.8431 3.0906 3.0906 3.6376 3.6376 4.2536 4.2536 6.8962 6.8962 8.5879 8.5879 10.9702 10.9702 14.2544 14.2544 14.5502 14.5502 17.3615 17.3615 k = 0.5630-0.3325-0.1007 ( 1503 PWs) bands (ev): -13.2363 -13.2363 -6.2300 -6.2300 -0.2257 -0.2257 0.8453 0.8453 1.4195 1.4195 2.0340 2.0340 2.8263 2.8263 3.0855 3.0855 3.5967 3.5967 4.2351 4.2351 6.8605 6.8605 8.6193 8.6193 10.9805 10.9805 14.2317 14.2317 14.5415 14.5415 17.3681 17.3681 k = 0.5581-0.3384-0.0929 ( 1500 PWs) bands (ev): -13.2456 -13.2456 -6.1893 -6.1893 -0.2788 -0.2788 0.8690 0.8690 1.4353 1.4353 2.0793 2.0793 2.8072 2.8072 3.0792 3.0792 3.5541 3.5541 4.2192 4.2192 6.8257 6.8257 8.6488 8.6488 10.9925 10.9925 14.2095 14.2095 14.5326 14.5326 17.3748 17.3748 k = 0.5533-0.3443-0.0852 ( 1502 PWs) bands (ev): -13.2543 -13.2543 -6.1504 -6.1504 -0.3294 -0.3294 0.8910 0.8910 1.4530 1.4530 2.1269 2.1269 2.7858 2.7858 3.0721 3.0721 3.5095 3.5095 4.2061 4.2061 6.7923 6.7923 8.6764 8.6764 11.0057 11.0057 14.1879 14.1879 14.5238 14.5238 17.3814 17.3814 k = 0.5485-0.3502-0.0774 ( 1501 PWs) bands (ev): -13.2624 -13.2624 -6.1137 -6.1137 -0.3772 -0.3772 0.9109 0.9109 1.4726 1.4726 2.1768 2.1768 2.7626 2.7626 3.0646 3.0646 3.4627 3.4627 4.1955 4.1955 6.7607 6.7607 8.7020 8.7020 11.0197 11.0197 14.1672 14.1672 14.5152 14.5152 17.3877 17.3877 k = 0.5436-0.3562-0.0697 ( 1499 PWs) bands (ev): -13.2700 -13.2700 -6.0794 -6.0794 -0.4217 -0.4217 0.9285 0.9285 1.4937 1.4937 2.2286 2.2286 2.7381 2.7381 3.0567 3.0567 3.4138 3.4138 4.1873 4.1873 6.7313 6.7313 8.7255 8.7255 11.0339 11.0339 14.1475 14.1475 14.5070 14.5070 17.3937 17.3937 k = 0.5388-0.3621-0.0620 ( 1497 PWs) bands (ev): -13.2768 -13.2768 -6.0479 -6.0479 -0.4625 -0.4625 0.9438 0.9438 1.5158 1.5158 2.2821 2.2821 2.7129 2.7129 3.0485 3.0485 3.3633 3.3633 4.1812 4.1812 6.7043 6.7043 8.7468 8.7468 11.0481 11.0481 14.1290 14.1290 14.4992 14.4992 17.3993 17.3993 k = 0.5339-0.3680-0.0542 ( 1495 PWs) bands (ev): -13.2829 -13.2829 -6.0193 -6.0193 -0.4993 -0.4993 0.9569 0.9569 1.5384 1.5384 2.3370 2.3370 2.6880 2.6880 3.0395 3.0395 3.3119 3.3119 4.1769 4.1769 6.6800 6.6800 8.7657 8.7657 11.0616 11.0616 14.1120 14.1120 14.4922 14.4922 17.4043 17.4043 k = 0.5291-0.3739-0.0465 ( 1493 PWs) bands (ev): -13.2882 -13.2882 -5.9940 -5.9940 -0.5319 -0.5319 0.9677 0.9677 1.5606 1.5606 2.3923 2.3923 2.6648 2.6648 3.0290 3.0290 3.2608 3.2608 4.1740 4.1740 6.6586 6.6586 8.7823 8.7823 11.0742 11.0742 14.0967 14.0967 14.4859 14.4859 17.4089 17.4089 k = 0.5242-0.3798-0.0387 ( 1496 PWs) bands (ev): -13.2928 -13.2928 -5.9721 -5.9721 -0.5599 -0.5599 0.9765 0.9765 1.5817 1.5817 2.4467 2.4467 2.6451 2.6451 3.0152 3.0152 3.2123 3.2123 4.1721 4.1721 6.6403 6.6403 8.7965 8.7965 11.0855 11.0855 14.0833 14.0833 14.4803 14.4803 17.4127 17.4127 k = 0.5194-0.3857-0.0310 ( 1494 PWs) bands (ev): -13.2966 -13.2966 -5.9539 -5.9539 -0.5832 -0.5832 0.9835 0.9835 1.6007 1.6007 2.4963 2.4963 2.6329 2.6329 2.9956 2.9956 3.1699 3.1699 4.1710 4.1710 6.6252 6.6252 8.8081 8.8081 11.0952 11.0952 14.0721 14.0721 14.4757 14.4757 17.4160 17.4160 k = 0.5145-0.3917-0.0232 ( 1494 PWs) bands (ev): -13.2996 -13.2996 -5.9396 -5.9396 -0.6015 -0.6015 0.9887 0.9887 1.6166 1.6166 2.5319 2.5319 2.6375 2.6375 2.9675 2.9675 3.1375 3.1375 4.1704 4.1704 6.6133 6.6133 8.8172 8.8172 11.1031 11.1031 14.0631 14.0631 14.4721 14.4721 17.4186 17.4186 k = 0.5097-0.3976-0.0155 ( 1492 PWs) bands (ev): -13.3017 -13.3017 -5.9292 -5.9292 -0.6146 -0.6146 0.9923 0.9923 1.6288 1.6288 2.5450 2.5450 2.6655 2.6655 2.9318 2.9318 3.1166 3.1166 4.1702 4.1702 6.6048 6.6048 8.8238 8.8238 11.1088 11.1088 14.0566 14.0566 14.4695 14.4695 17.4204 17.4204 k = 0.5048-0.4035-0.0077 ( 1494 PWs) bands (ev): -13.3030 -13.3030 -5.9230 -5.9230 -0.6226 -0.6226 0.9945 0.9945 1.6364 1.6364 2.5461 2.5461 2.7012 2.7012 2.8963 2.8963 3.1057 3.1057 4.1701 4.1701 6.5997 6.5997 8.8277 8.8277 11.1123 11.1123 14.0526 14.0526 14.4680 14.4680 17.4216 17.4216 k = 0.5000-0.4094 0.0000 ( 1494 PWs) bands (ev): -13.3034 -13.3034 -5.9209 -5.9209 -0.6253 -0.6253 0.9952 0.9952 1.6390 1.6390 2.5456 2.5456 2.7189 2.7189 2.8792 2.8792 3.1023 3.1023 4.1700 4.1700 6.5980 6.5980 8.8290 8.8290 11.1135 11.1135 14.0513 14.0513 14.4674 14.4674 17.4219 17.4219 k = 0.5000-0.4094 0.0000 ( 1494 PWs) bands (ev): -13.3034 -13.3034 -5.9209 -5.9209 -0.6253 -0.6253 0.9952 0.9952 1.6390 1.6390 2.5456 2.5456 2.7189 2.7189 2.8792 2.8792 3.1023 3.1023 4.1700 4.1700 6.5980 6.5980 8.8290 8.8290 11.1135 11.1135 14.0513 14.0513 14.4674 14.4674 17.4219 17.4219 k = 0.4914-0.4024-0.0000 ( 1494 PWs) bands (ev): -13.3035 -13.3035 -5.9209 -5.9209 -0.6252 -0.6252 0.9953 0.9953 1.6382 1.6382 2.5456 2.5456 2.7170 2.7170 2.8801 2.8801 3.1029 3.1029 4.1707 4.1707 6.5996 6.5996 8.8286 8.8286 11.1135 11.1135 14.0512 14.0512 14.4669 14.4669 17.4233 17.4233 k = 0.4828-0.3953-0.0000 ( 1496 PWs) bands (ev): -13.3039 -13.3039 -5.9210 -5.9210 -0.6250 -0.6250 0.9955 0.9955 1.6358 1.6358 2.5457 2.5457 2.7114 2.7114 2.8826 2.8826 3.1046 3.1046 4.1726 4.1726 6.6045 6.6045 8.8274 8.8274 11.1131 11.1131 14.0508 14.0508 14.4653 14.4653 17.4272 17.4272 k = 0.4741-0.3882-0.0000 ( 1500 PWs) bands (ev): -13.3045 -13.3045 -5.9211 -5.9211 -0.6247 -0.6247 0.9960 0.9960 1.6318 1.6318 2.5458 2.5458 2.7029 2.7029 2.8863 2.8863 3.1074 3.1074 4.1757 4.1757 6.6126 6.6126 8.8254 8.8254 11.1126 11.1126 14.0502 14.0502 14.4628 14.4628 17.4337 17.4337 k = 0.4655-0.3812-0.0000 ( 1494 PWs) bands (ev): -13.3053 -13.3053 -5.9213 -5.9213 -0.6243 -0.6243 0.9966 0.9966 1.6263 1.6263 2.5457 2.5457 2.6922 2.6922 2.8908 2.8908 3.1111 3.1111 4.1799 4.1799 6.6238 6.6238 8.8226 8.8226 11.1119 11.1119 14.0494 14.0494 14.4595 14.4595 17.4429 17.4429 k = 0.4569-0.3741-0.0000 ( 1494 PWs) bands (ev): -13.3063 -13.3063 -5.9216 -5.9216 -0.6238 -0.6238 0.9974 0.9974 1.6193 1.6193 2.5450 2.5450 2.6803 2.6803 2.8958 2.8958 3.1157 3.1157 4.1851 4.1851 6.6380 6.6380 8.8191 8.8191 11.1107 11.1107 14.0484 14.0484 14.4555 14.4555 17.4547 17.4547 k = 0.4483-0.3671-0.0000 ( 1492 PWs) bands (ev): -13.3075 -13.3075 -5.9218 -5.9218 -0.6232 -0.6232 0.9984 0.9984 1.6109 1.6109 2.5433 2.5433 2.6681 2.6681 2.9009 2.9009 3.1209 3.1209 4.1912 4.1912 6.6550 6.6550 8.8149 8.8149 11.1092 11.1092 14.0472 14.0472 14.4511 14.4511 17.4690 17.4690 k = 0.4397-0.3600-0.0000 ( 1492 PWs) bands (ev): -13.3090 -13.3090 -5.9222 -5.9222 -0.6225 -0.6225 0.9994 0.9994 1.6011 1.6011 2.5399 2.5399 2.6568 2.6568 2.9061 2.9061 3.1268 3.1268 4.1979 4.1979 6.6746 6.6746 8.8101 8.8101 11.1071 11.1071 14.0459 14.0459 14.4466 14.4466 17.4859 17.4859 k = 0.4310-0.3529 0.0000 ( 1494 PWs) bands (ev): -13.3107 -13.3107 -5.9226 -5.9226 -0.6218 -0.6218 1.0007 1.0007 1.5901 1.5901 2.5342 2.5342 2.6474 2.6474 2.9112 2.9112 3.1331 3.1331 4.2051 4.2051 6.6967 6.6967 8.8048 8.8048 11.1045 11.1045 14.0445 14.0445 14.4421 14.4421 17.5052 17.5052 k = 0.4224-0.3459 0.0000 ( 1496 PWs) bands (ev): -13.3126 -13.3126 -5.9230 -5.9230 -0.6210 -0.6210 1.0020 1.0020 1.5778 1.5778 2.5258 2.5258 2.6408 2.6408 2.9162 2.9162 3.1397 3.1397 4.2127 4.2127 6.7209 6.7209 8.7989 8.7989 11.1010 11.1010 14.0433 14.0433 14.4381 14.4381 17.5270 17.5270 k = 0.4138-0.3388 0.0000 ( 1494 PWs) bands (ev): -13.3148 -13.3148 -5.9235 -5.9235 -0.6201 -0.6201 1.0034 1.0034 1.5646 1.5646 2.5147 2.5147 2.6370 2.6370 2.9211 2.9211 3.1466 3.1466 4.2204 4.2204 6.7470 6.7470 8.7926 8.7926 11.0966 11.0966 14.0424 14.0424 14.4346 14.4346 17.5513 17.5513 k = 0.4052-0.3318 0.0000 ( 1498 PWs) bands (ev): -13.3171 -13.3171 -5.9240 -5.9240 -0.6193 -0.6193 1.0048 1.0048 1.5503 1.5503 2.5012 2.5012 2.6360 2.6360 2.9259 2.9259 3.1537 3.1537 4.2281 4.2281 6.7747 6.7747 8.7859 8.7859 11.0912 11.0912 14.0420 14.0420 14.4320 14.4320 17.5779 17.5779 k = 0.3966-0.3247 0.0000 ( 1500 PWs) bands (ev): -13.3196 -13.3196 -5.9245 -5.9245 -0.6184 -0.6184 1.0063 1.0063 1.5353 1.5353 2.4863 2.4863 2.6372 2.6372 2.9305 2.9305 3.1611 3.1611 4.2357 4.2357 6.8035 6.8035 8.7791 8.7791 11.0846 11.0846 14.0425 14.0425 14.4306 14.4306 17.6069 17.6069 k = 0.3879-0.3177 0.0000 ( 1502 PWs) bands (ev): -13.3224 -13.3224 -5.9251 -5.9251 -0.6176 -0.6176 1.0078 1.0078 1.5196 1.5196 2.4705 2.4705 2.6400 2.6400 2.9352 2.9352 3.1685 3.1685 4.2431 4.2431 6.8332 6.8332 8.7720 8.7720 11.0765 11.0765 14.0442 14.0442 14.4305 14.4305 17.6380 17.6380 k = 0.3793-0.3106 0.0000 ( 1506 PWs) bands (ev): -13.3253 -13.3253 -5.9257 -5.9257 -0.6168 -0.6168 1.0092 1.0092 1.5034 1.5034 2.4544 2.4544 2.6440 2.6440 2.9397 2.9397 3.1761 3.1761 4.2501 4.2501 6.8634 6.8634 8.7648 8.7648 11.0668 11.0668 14.0474 14.0474 14.4319 14.4319 17.6714 17.6714 k = 0.3707-0.3035-0.0000 ( 1501 PWs) bands (ev): -13.3284 -13.3284 -5.9263 -5.9263 -0.6161 -0.6161 1.0105 1.0105 1.4869 1.4869 2.4384 2.4384 2.6490 2.6490 2.9442 2.9442 3.1839 3.1839 4.2566 4.2566 6.8936 6.8936 8.7578 8.7578 11.0556 11.0556 14.0527 14.0527 14.4351 14.4351 17.7068 17.7068 k = 0.3621-0.2965-0.0000 ( 1501 PWs) bands (ev): -13.3317 -13.3317 -5.9269 -5.9269 -0.6155 -0.6155 1.0117 1.0117 1.4703 1.4703 2.4228 2.4228 2.6547 2.6547 2.9487 2.9487 3.1917 3.1917 4.2627 4.2627 6.9234 6.9234 8.7507 8.7507 11.0424 11.0424 14.0601 14.0601 14.4403 14.4403 17.7442 17.7442 k = 0.3534-0.2894-0.0000 ( 1501 PWs) bands (ev): -13.3351 -13.3351 -5.9275 -5.9275 -0.6150 -0.6150 1.0127 1.0127 1.4536 1.4536 2.4079 2.4079 2.6609 2.6609 2.9531 2.9531 3.1996 3.1996 4.2682 4.2682 6.9524 6.9524 8.7439 8.7439 11.0273 11.0273 14.0702 14.0702 14.4477 14.4477 17.7835 17.7835 k = 0.3448-0.2824-0.0000 ( 1503 PWs) bands (ev): -13.3387 -13.3387 -5.9282 -5.9282 -0.6146 -0.6146 1.0135 1.0135 1.4372 1.4372 2.3937 2.3937 2.6677 2.6677 2.9575 2.9575 3.2076 3.2076 4.2731 4.2731 6.9802 6.9802 8.7373 8.7373 11.0102 11.0102 14.0828 14.0828 14.4578 14.4578 17.8245 17.8245 k = 0.3362-0.2753-0.0000 ( 1499 PWs) bands (ev): -13.3425 -13.3425 -5.9288 -5.9288 -0.6144 -0.6144 1.0140 1.0140 1.4211 1.4211 2.3805 2.3805 2.6748 2.6748 2.9620 2.9620 3.2157 3.2157 4.2774 4.2774 7.0064 7.0064 8.7311 8.7311 10.9911 10.9911 14.0981 14.0981 14.4711 14.4711 17.8671 17.8671 k = 0.3276-0.2682-0.0000 ( 1499 PWs) bands (ev): -13.3464 -13.3464 -5.9294 -5.9294 -0.6144 -0.6144 1.0142 1.0142 1.4055 1.4055 2.3683 2.3683 2.6822 2.6822 2.9665 2.9665 3.2238 3.2238 4.2812 4.2812 7.0305 7.0305 8.7254 8.7254 10.9700 10.9700 14.1157 14.1157 14.4883 14.4883 17.9112 17.9112 k = 0.3190-0.2612-0.0000 ( 1499 PWs) bands (ev): -13.3504 -13.3504 -5.9301 -5.9301 -0.6146 -0.6146 1.0139 1.0139 1.3906 1.3906 2.3572 2.3572 2.6900 2.6900 2.9710 2.9710 3.2319 3.2319 4.2843 4.2843 7.0522 7.0522 8.7202 8.7202 10.9469 10.9469 14.1352 14.1352 14.5101 14.5101 17.9565 17.9565 k = 0.3103-0.2541 0.0000 ( 1497 PWs) bands (ev): -13.3546 -13.3546 -5.9307 -5.9307 -0.6150 -0.6150 1.0133 1.0133 1.3765 1.3765 2.3472 2.3472 2.6981 2.6981 2.9755 2.9755 3.2400 3.2400 4.2868 4.2868 7.0711 7.0711 8.7155 8.7155 10.9220 10.9220 14.1559 14.1559 14.5375 14.5375 18.0030 18.0030 k = 0.3017-0.2471 0.0000 ( 1493 PWs) bands (ev): -13.3588 -13.3588 -5.9313 -5.9313 -0.6157 -0.6157 1.0121 1.0121 1.3633 1.3633 2.3383 2.3383 2.7066 2.7066 2.9802 2.9802 3.2481 3.2481 4.2888 4.2888 7.0867 7.0867 8.7116 8.7116 10.8956 10.8956 14.1769 14.1769 14.5717 14.5717 18.0504 18.0504 k = 0.2931-0.2400 0.0000 ( 1493 PWs) bands (ev): -13.3632 -13.3632 -5.9318 -5.9318 -0.6167 -0.6167 1.0105 1.0105 1.3512 1.3512 2.3306 2.3306 2.7153 2.7153 2.9850 2.9850 3.2560 3.2560 4.2902 4.2902 7.0989 7.0989 8.7083 8.7083 10.8676 10.8676 14.1972 14.1972 14.6136 14.6136 18.0985 18.0985 k = 0.2845-0.2329 0.0000 ( 1493 PWs) bands (ev): -13.3677 -13.3677 -5.9324 -5.9324 -0.6180 -0.6180 1.0084 1.0084 1.3401 1.3401 2.3241 2.3241 2.7245 2.7245 2.9899 2.9899 3.2637 3.2637 4.2911 4.2911 7.1073 7.1073 8.7058 8.7058 10.8385 10.8385 14.2163 14.2163 14.6641 14.6641 18.1469 18.1469 k = 0.2759-0.2259 0.0000 ( 1491 PWs) bands (ev): -13.3722 -13.3722 -5.9329 -5.9329 -0.6195 -0.6195 1.0058 1.0058 1.3301 1.3301 2.3187 2.3187 2.7340 2.7340 2.9949 2.9949 3.2713 3.2713 4.2916 4.2916 7.1116 7.1116 8.7042 8.7042 10.8085 10.8085 14.2335 14.2335 14.7234 14.7234 18.1956 18.1956 k = 0.2672-0.2188 0.0000 ( 1495 PWs) bands (ev): -13.3768 -13.3768 -5.9335 -5.9335 -0.6214 -0.6214 1.0027 1.0027 1.3212 1.3212 2.3144 2.3144 2.7440 2.7440 3.0002 3.0002 3.2786 3.2786 4.2916 4.2916 7.1116 7.1116 8.7033 8.7033 10.7779 10.7779 14.2487 14.2487 14.7918 14.7918 18.2440 18.2440 k = 0.2586-0.2118 0.0000 ( 1497 PWs) bands (ev): -13.3814 -13.3814 -5.9339 -5.9339 -0.6235 -0.6235 0.9993 0.9993 1.3135 1.3135 2.3113 2.3113 2.7544 2.7544 3.0056 3.0056 3.2857 3.2857 4.2913 4.2913 7.1072 7.1072 8.7033 8.7033 10.7470 10.7470 14.2619 14.2619 14.8691 14.8691 18.2918 18.2918 k = 0.2500-0.2047 0.0000 ( 1499 PWs) bands (ev): -13.3861 -13.3861 -5.9344 -5.9344 -0.6260 -0.6260 0.9954 0.9954 1.3067 1.3067 2.3092 2.3092 2.7653 2.7653 3.0113 3.0113 3.2923 3.2923 4.2905 4.2905 7.0983 7.0983 8.7042 8.7042 10.7162 10.7162 14.2733 14.2733 14.9548 14.9548 18.3386 18.3386 k = 0.2414-0.1977-0.0000 ( 1495 PWs) bands (ev): -13.3908 -13.3908 -5.9348 -5.9348 -0.6288 -0.6288 0.9913 0.9913 1.3010 1.3010 2.3082 2.3082 2.7768 2.7768 3.0173 3.0173 3.2986 3.2986 4.2895 4.2895 7.0848 7.0848 8.7060 8.7060 10.6857 10.6857 14.2831 14.2831 15.0485 15.0485 18.3841 18.3841 k = 0.2328-0.1906-0.0000 ( 1495 PWs) bands (ev): -13.3955 -13.3955 -5.9352 -5.9352 -0.6318 -0.6318 0.9870 0.9870 1.2961 1.2961 2.3082 2.3082 2.7889 2.7889 3.0235 3.0235 3.3045 3.3045 4.2882 4.2882 7.0667 7.0667 8.7086 8.7086 10.6558 10.6558 14.2915 14.2915 15.1496 15.1496 18.4277 18.4277 k = 0.2241-0.1835-0.0000 ( 1495 PWs) bands (ev): -13.4002 -13.4002 -5.9356 -5.9356 -0.6352 -0.6352 0.9826 0.9826 1.2920 1.2920 2.3092 2.3092 2.8016 2.8016 3.0301 3.0301 3.3099 3.3099 4.2866 4.2866 7.0442 7.0442 8.7122 8.7122 10.6268 10.6268 14.2988 14.2988 15.2575 15.2575 18.4688 18.4689 k = 0.2155-0.1765 0.0000 ( 1493 PWs) bands (ev): -13.4048 -13.4048 -5.9359 -5.9359 -0.6387 -0.6387 0.9781 0.9781 1.2886 1.2886 2.3110 2.3110 2.8150 2.8150 3.0370 3.0370 3.3147 3.3147 4.2849 4.2849 7.0172 7.0172 8.7165 8.7165 10.5988 10.5988 14.3050 14.3050 15.3715 15.3715 18.5071 18.5071 k = 0.2069-0.1694 0.0000 ( 1491 PWs) bands (ev): -13.4095 -13.4095 -5.9362 -5.9362 -0.6426 -0.6426 0.9736 0.9736 1.2858 1.2858 2.3136 2.3136 2.8292 2.8292 3.0442 3.0442 3.3191 3.3191 4.2830 4.2830 6.9860 6.9860 8.7217 8.7217 10.5720 10.5720 14.3104 14.3104 15.4911 15.4911 18.5421 18.5421 k = 0.1983-0.1624 0.0000 ( 1485 PWs) bands (ev): -13.4141 -13.4141 -5.9364 -5.9364 -0.6466 -0.6466 0.9692 0.9692 1.2835 1.2835 2.3169 2.3169 2.8441 2.8441 3.0518 3.0518 3.3228 3.3228 4.2810 4.2810 6.9509 6.9509 8.7277 8.7277 10.5466 10.5466 14.3150 14.3150 15.6156 15.6156 18.5734 18.5734 k = 0.1897-0.1553 0.0000 ( 1487 PWs) bands (ev): -13.4186 -13.4186 -5.9366 -5.9366 -0.6508 -0.6508 0.9649 0.9649 1.2816 1.2816 2.3209 2.3209 2.8598 2.8598 3.0599 3.0599 3.3260 3.3260 4.2788 4.2788 6.9120 6.9120 8.7344 8.7344 10.5226 10.5226 14.3190 14.3190 15.7443 15.7443 18.6009 18.6009 k = 0.1810-0.1482-0.0000 ( 1487 PWs) bands (ev): -13.4230 -13.4230 -5.9368 -5.9368 -0.6552 -0.6552 0.9608 0.9608 1.2801 1.2801 2.3253 2.3253 2.8762 2.8762 3.0683 3.0683 3.3285 3.3285 4.2767 4.2767 6.8697 6.8697 8.7417 8.7417 10.5002 10.5002 14.3224 14.3224 15.8763 15.8763 18.6247 18.6247 k = 0.1724-0.1412-0.0000 ( 1493 PWs) bands (ev): -13.4274 -13.4274 -5.9370 -5.9370 -0.6597 -0.6597 0.9568 0.9568 1.2789 1.2789 2.3303 2.3303 2.8934 2.8934 3.0773 3.0773 3.3305 3.3305 4.2745 4.2745 6.8243 6.8243 8.7496 8.7496 10.4793 10.4793 14.3252 14.3252 16.0110 16.0110 18.6449 18.6449 k = 0.1638-0.1341-0.0000 ( 1499 PWs) bands (ev): -13.4317 -13.4317 -5.9371 -5.9371 -0.6643 -0.6643 0.9530 0.9530 1.2778 1.2778 2.3355 2.3355 2.9112 2.9112 3.0867 3.0867 3.3318 3.3318 4.2723 4.2723 6.7763 6.7763 8.7580 8.7580 10.4599 10.4599 14.3276 14.3276 16.1473 16.1473 18.6622 18.6622 k = 0.1552-0.1271 0.0000 ( 1503 PWs) bands (ev): -13.4358 -13.4358 -5.9372 -5.9372 -0.6690 -0.6690 0.9494 0.9494 1.2770 1.2770 2.3410 2.3410 2.9297 2.9297 3.0967 3.0967 3.3325 3.3325 4.2701 4.2701 6.7261 6.7261 8.7668 8.7668 10.4421 10.4421 14.3297 14.3297 16.2843 16.2843 18.6772 18.6772 k = 0.1466-0.1200 0.0000 ( 1503 PWs) bands (ev): -13.4398 -13.4398 -5.9373 -5.9373 -0.6736 -0.6736 0.9461 0.9461 1.2764 1.2764 2.3466 2.3466 2.9486 2.9486 3.1072 3.1072 3.3327 3.3327 4.2680 4.2680 6.6741 6.6741 8.7759 8.7759 10.4259 10.4259 14.3314 14.3314 16.4210 16.4210 18.6911 18.6911 k = 0.1379-0.1129 0.0000 ( 1503 PWs) bands (ev): -13.4436 -13.4436 -5.9373 -5.9373 -0.6782 -0.6782 0.9430 0.9430 1.2759 1.2759 2.3523 2.3523 2.9678 2.9678 3.1183 3.1183 3.3323 3.3323 4.2660 4.2660 6.6209 6.6209 8.7853 8.7853 10.4111 10.4111 14.3328 14.3328 16.5560 16.5560 18.7048 18.7048 k = 0.1293-0.1059 0.0000 ( 1501 PWs) bands (ev): -13.4473 -13.4473 -5.9374 -5.9374 -0.6828 -0.6828 0.9401 0.9401 1.2754 1.2754 2.3579 2.3579 2.9872 2.9872 3.1300 3.1300 3.3313 3.3313 4.2641 4.2641 6.5668 6.5668 8.7948 8.7948 10.3976 10.3976 14.3339 14.3339 16.6882 16.6882 18.7195 18.7195 k = 0.1207-0.0988-0.0000 ( 1495 PWs) bands (ev): -13.4508 -13.4508 -5.9374 -5.9374 -0.6872 -0.6872 0.9374 0.9374 1.2751 1.2751 2.3635 2.3635 3.0064 3.0064 3.1423 3.1423 3.3300 3.3300 4.2623 4.2623 6.5125 6.5125 8.8044 8.8044 10.3856 10.3856 14.3349 14.3349 16.8159 16.8159 18.7365 18.7365 k = 0.1121-0.0918-0.0000 ( 1495 PWs) bands (ev): -13.4541 -13.4541 -5.9374 -5.9374 -0.6916 -0.6916 0.9349 0.9349 1.2748 1.2748 2.3688 2.3688 3.0254 3.0254 3.1552 3.1552 3.3282 3.3282 4.2606 4.2606 6.4585 6.4585 8.8138 8.8138 10.3747 10.3747 14.3356 14.3356 16.9377 16.9377 18.7569 18.7569 k = 0.1034-0.0847 0.0000 ( 1499 PWs) bands (ev): -13.4572 -13.4572 -5.9374 -5.9374 -0.6957 -0.6957 0.9326 0.9326 1.2746 1.2746 2.3740 2.3740 3.0437 3.0437 3.1685 3.1685 3.3262 3.3262 4.2592 4.2592 6.4053 6.4053 8.8230 8.8230 10.3650 10.3650 14.3361 14.3361 17.0520 17.0520 18.7818 18.7818 k = 0.0948-0.0776 0.0000 ( 1505 PWs) bands (ev): -13.4602 -13.4602 -5.9373 -5.9373 -0.6997 -0.6997 0.9305 0.9305 1.2744 1.2744 2.3788 2.3788 3.0614 3.0614 3.1820 3.1820 3.3241 3.3241 4.2578 4.2578 6.3534 6.3534 8.8320 8.8320 10.3564 10.3564 14.3364 14.3364 17.1573 17.1573 18.8121 18.8121 k = 0.0862-0.0706-0.0000 ( 1511 PWs) bands (ev): -13.4629 -13.4629 -5.9373 -5.9373 -0.7034 -0.7034 0.9285 0.9285 1.2743 1.2743 2.3834 2.3834 3.0781 3.0781 3.1953 3.1953 3.3223 3.3223 4.2567 4.2567 6.3035 6.3035 8.8406 8.8406 10.3489 10.3489 14.3366 14.3366 17.2524 17.2524 18.8481 18.8481 k = 0.0776-0.0635 0.0000 ( 1515 PWs) bands (ev): -13.4653 -13.4653 -5.9373 -5.9373 -0.7069 -0.7069 0.9268 0.9268 1.2742 1.2742 2.3875 2.3875 3.0940 3.0940 3.2077 3.2077 3.3210 3.3210 4.2557 4.2557 6.2560 6.2560 8.8487 8.8487 10.3422 10.3422 14.3367 14.3367 17.3362 17.3362 18.8898 18.8898 k = 0.0690-0.0565 0.0000 ( 1517 PWs) bands (ev): -13.4676 -13.4676 -5.9372 -5.9372 -0.7101 -0.7101 0.9253 0.9253 1.2741 1.2741 2.3913 2.3913 3.1089 3.1089 3.2186 3.2186 3.3207 3.3207 4.2549 4.2549 6.2116 6.2116 8.8562 8.8562 10.3365 10.3365 14.3368 14.3368 17.4083 17.4083 18.9363 18.9363 k = 0.0603-0.0494-0.0000 ( 1521 PWs) bands (ev): -13.4696 -13.4696 -5.9372 -5.9372 -0.7129 -0.7129 0.9239 0.9239 1.2740 1.2740 2.3947 2.3947 3.1228 3.1228 3.2269 3.2269 3.3219 3.3219 4.2542 4.2542 6.1709 6.1709 8.8631 8.8631 10.3316 10.3316 14.3367 14.3367 17.4689 17.4689 18.9862 18.9862 k = 0.0517-0.0424 0.0000 ( 1521 PWs) bands (ev): -13.4713 -13.4713 -5.9371 -5.9371 -0.7154 -0.7154 0.9227 0.9227 1.2740 1.2740 2.3977 2.3977 3.1358 3.1358 3.2322 3.2322 3.3250 3.3250 4.2537 4.2537 6.1342 6.1342 8.8692 8.8692 10.3274 10.3274 14.3367 14.3367 17.5185 17.5185 19.0374 19.0374 k = 0.0431-0.0353-0.0000 ( 1521 PWs) bands (ev): -13.4728 -13.4728 -5.9371 -5.9371 -0.7176 -0.7176 0.9217 0.9217 1.2739 1.2739 2.4002 2.4002 3.1479 3.1479 3.2342 3.2342 3.3296 3.3296 4.2533 4.2533 6.1022 6.1022 8.8745 8.8745 10.3240 10.3240 14.3366 14.3366 17.5580 17.5580 19.0872 19.0872 k = 0.0345-0.0282 0.0000 ( 1521 PWs) bands (ev): -13.4740 -13.4740 -5.9371 -5.9371 -0.7194 -0.7194 0.9209 0.9209 1.2739 1.2739 2.4023 2.4023 3.1591 3.1591 3.2335 3.2335 3.3350 3.3350 4.2531 4.2531 6.0753 6.0753 8.8789 8.8789 10.3212 10.3212 14.3366 14.3366 17.5885 17.5885 19.1330 19.1330 k = 0.0259-0.0212 0.0000 ( 1519 PWs) bands (ev): -13.4750 -13.4750 -5.9370 -5.9370 -0.7208 -0.7208 0.9203 0.9203 1.2739 1.2739 2.4039 2.4039 3.1691 3.1691 3.2308 3.2308 3.3402 3.3402 4.2529 4.2529 6.0539 6.0539 8.8824 8.8824 10.3191 10.3191 14.3366 14.3366 17.6109 17.6109 19.1720 19.1720 k = 0.0172-0.0141 0.0000 ( 1517 PWs) bands (ev): -13.4756 -13.4756 -5.9370 -5.9370 -0.7218 -0.7218 0.9198 0.9198 1.2739 1.2739 2.4051 2.4051 3.1777 3.1777 3.2270 3.2270 3.3446 3.3446 4.2528 4.2528 6.0384 6.0384 8.8850 8.8850 10.3177 10.3177 14.3366 14.3366 17.6263 17.6263 19.2017 19.2017 k = 0.0086-0.0071 0.0000 ( 1521 PWs) bands (ev): -13.4760 -13.4760 -5.9370 -5.9370 -0.7224 -0.7224 0.9195 0.9195 1.2739 1.2739 2.4058 2.4058 3.1840 3.1840 3.2235 3.2235 3.3474 3.3474 4.2527 4.2527 6.0290 6.0290 8.8865 8.8865 10.3168 10.3168 14.3365 14.3365 17.6352 17.6352 19.2204 19.2204 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4762 -13.4762 -5.9370 -5.9370 -0.7226 -0.7226 0.9194 0.9194 1.2739 1.2739 2.4060 2.4060 3.1864 3.1864 3.2220 3.2220 3.3484 3.3484 4.2527 4.2527 6.0258 6.0258 8.8870 8.8870 10.3165 10.3165 14.3365 14.3365 17.6381 17.6381 19.2268 19.2268 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4762 -13.4762 -5.9370 -5.9370 -0.7226 -0.7226 0.9194 0.9194 1.2739 1.2739 2.4060 2.4060 3.1864 3.1864 3.2220 3.2220 3.3484 3.3484 4.2527 4.2527 6.0258 6.0258 8.8870 8.8870 10.3165 10.3165 14.3365 14.3365 17.6381 17.6381 19.2268 19.2268 k = 0.0106 0.0021-0.0028 ( 1523 PWs) bands (ev): -13.4759 -13.4759 -5.9378 -5.9378 -0.7217 -0.7217 0.9194 0.9194 1.2739 1.2739 2.4044 2.4044 3.1711 3.1711 3.2336 3.2336 3.3507 3.3507 4.2538 4.2538 6.0292 6.0292 8.8864 8.8864 10.3162 10.3162 14.3371 14.3371 17.6344 17.6344 19.2156 19.2156 k = 0.0213 0.0043-0.0056 ( 1522 PWs) bands (ev): -13.4749 -13.4749 -5.9401 -5.9401 -0.7188 -0.7188 0.9192 0.9192 1.2740 1.2740 2.3997 2.3997 3.1440 3.1440 3.2494 3.2494 3.3579 3.3579 4.2571 4.2571 6.0394 6.0394 8.8848 8.8848 10.3155 10.3155 14.3390 14.3390 17.6232 17.6232 19.1840 19.1840 k = 0.0319 0.0064-0.0084 ( 1520 PWs) bands (ev): -13.4733 -13.4733 -5.9440 -5.9440 -0.7141 -0.7141 0.9188 0.9188 1.2742 1.2742 2.3918 2.3918 3.1141 3.1141 3.2596 3.2596 3.3706 3.3706 4.2626 4.2626 6.0561 6.0561 8.8819 8.8819 10.3143 10.3143 14.3420 14.3420 17.6040 17.6040 19.1361 19.1361 k = 0.0426 0.0086-0.0112 ( 1519 PWs) bands (ev): -13.4711 -13.4711 -5.9495 -5.9495 -0.7075 -0.7075 0.9181 0.9181 1.2744 1.2744 2.3808 2.3808 3.0834 3.0834 3.2635 3.2635 3.3881 3.3881 4.2706 4.2706 6.0791 6.0791 8.8780 8.8780 10.3127 10.3127 14.3463 14.3463 17.5759 17.5759 19.0777 19.0777 k = 0.0532 0.0107-0.0140 ( 1520 PWs) bands (ev): -13.4683 -13.4683 -5.9564 -5.9564 -0.6990 -0.6990 0.9172 0.9172 1.2747 1.2747 2.3665 2.3665 3.0526 3.0526 3.2624 3.2624 3.4083 3.4083 4.2810 4.2810 6.1081 6.1081 8.8729 8.8729 10.3108 10.3108 14.3517 14.3517 17.5379 17.5379 19.0142 19.0142 k = 0.0638 0.0128-0.0168 ( 1520 PWs) bands (ev): -13.4648 -13.4648 -5.9648 -5.9648 -0.6887 -0.6887 0.9160 0.9160 1.2751 1.2751 2.3491 2.3491 3.0223 3.0223 3.2582 3.2582 3.4292 3.4292 4.2940 4.2940 6.1425 6.1425 8.8667 8.8667 10.3085 10.3085 14.3583 14.3583 17.4889 17.4889 18.9506 18.9506 k = 0.0745 0.0150-0.0196 ( 1520 PWs) bands (ev): -13.4608 -13.4608 -5.9746 -5.9746 -0.6766 -0.6766 0.9143 0.9143 1.2755 1.2755 2.3285 2.3285 2.9929 2.9929 3.2520 3.2520 3.4496 3.4496 4.3098 4.3098 6.1820 6.1820 8.8595 8.8595 10.3062 10.3062 14.3659 14.3659 17.4281 17.4281 18.8908 18.8908 k = 0.0851 0.0171-0.0224 ( 1518 PWs) bands (ev): -13.4562 -13.4562 -5.9858 -5.9858 -0.6628 -0.6628 0.9122 0.9122 1.2760 1.2760 2.3048 2.3048 2.9648 2.9648 3.2445 3.2445 3.4686 3.4686 4.3286 4.3286 6.2258 6.2258 8.8511 8.8511 10.3037 10.3037 14.3746 14.3746 17.3548 17.3548 18.8377 18.8377 k = 0.0957 0.0193-0.0252 ( 1514 PWs) bands (ev): -13.4510 -13.4510 -5.9983 -5.9983 -0.6472 -0.6472 0.9094 0.9094 1.2765 1.2765 2.2781 2.2781 2.9384 2.9384 3.2362 3.2362 3.4858 3.4858 4.3503 4.3503 6.2735 6.2735 8.8418 8.8418 10.3014 10.3014 14.3842 14.3842 17.2691 17.2691 18.7930 18.7930 k = 0.1064 0.0214-0.0280 ( 1513 PWs) bands (ev): -13.4452 -13.4452 -6.0120 -6.0120 -0.6300 -0.6300 0.9060 0.9060 1.2770 1.2770 2.2486 2.2486 2.9139 2.9139 3.2275 3.2275 3.5008 3.5008 4.3751 4.3751 6.3245 6.3245 8.8314 8.8314 10.2993 10.2993 14.3947 14.3947 17.1716 17.1716 18.7575 18.7575 k = 0.1170 0.0235-0.0308 ( 1509 PWs) bands (ev): -13.4390 -13.4390 -6.0270 -6.0270 -0.6112 -0.6112 0.9018 0.9018 1.2775 1.2775 2.2164 2.2164 2.8915 2.8915 3.2187 3.2187 3.5135 3.5135 4.4030 4.4030 6.3781 6.3781 8.8200 8.8200 10.2976 10.2976 14.4060 14.4060 17.0632 17.0632 18.7311 18.7311 k = 0.1277 0.0257-0.0336 ( 1505 PWs) bands (ev): -13.4322 -13.4322 -6.0430 -6.0430 -0.5907 -0.5907 0.8967 0.8967 1.2779 1.2779 2.1820 2.1820 2.8713 2.8713 3.2098 3.2098 3.5240 3.5240 4.4339 4.4339 6.4339 6.4339 8.8076 8.8076 10.2966 10.2966 14.4179 14.4179 16.9456 16.9456 18.7134 18.7134 k = 0.1383 0.0278-0.0364 ( 1501 PWs) bands (ev): -13.4250 -13.4250 -6.0601 -6.0601 -0.5688 -0.5688 0.8907 0.8907 1.2781 1.2781 2.1455 2.1455 2.8535 2.8535 3.2009 3.2009 3.5324 3.5324 4.4676 4.4676 6.4910 6.4910 8.7943 8.7943 10.2964 10.2964 14.4305 14.4305 16.8201 16.8201 18.7035 18.7035 k = 0.1489 0.0300-0.0392 ( 1502 PWs) bands (ev): -13.4173 -13.4173 -6.0781 -6.0781 -0.5454 -0.5454 0.8836 0.8836 1.2781 1.2781 2.1075 2.1075 2.8380 2.8380 3.1920 3.1920 3.5389 3.5389 4.5041 4.5041 6.5491 6.5491 8.7801 8.7801 10.2972 10.2972 14.4435 14.4435 16.6882 16.6882 18.7004 18.7004 k = 0.1596 0.0321-0.0420 ( 1500 PWs) bands (ev): -13.4092 -13.4092 -6.0969 -6.0969 -0.5206 -0.5206 0.8755 0.8755 1.2778 1.2778 2.0682 2.0682 2.8247 2.8247 3.1832 3.1832 3.5438 3.5438 4.5430 4.5430 6.6075 6.6075 8.7650 8.7650 10.2993 10.2993 14.4569 14.4569 16.5515 16.5515 18.7031 18.7031 k = 0.1702 0.0342-0.0448 ( 1497 PWs) bands (ev): -13.4007 -13.4007 -6.1166 -6.1166 -0.4946 -0.4946 0.8663 0.8663 1.2770 1.2770 2.0283 2.0283 2.8136 2.8136 3.1744 3.1744 3.5474 3.5474 4.5842 4.5842 6.6657 6.6657 8.7491 8.7491 10.3030 10.3030 14.4705 14.4705 16.4110 16.4110 18.7108 18.7108 k = 0.1809 0.0364-0.0476 ( 1496 PWs) bands (ev): -13.3919 -13.3919 -6.1369 -6.1369 -0.4672 -0.4672 0.8560 0.8560 1.2757 1.2757 1.9880 1.9880 2.8046 2.8046 3.1656 3.1656 3.5501 3.5501 4.6273 4.6273 6.7232 6.7232 8.7324 8.7324 10.3086 10.3086 14.4842 14.4842 16.2681 16.2681 18.7227 18.7227 k = 0.1915 0.0385-0.0504 ( 1497 PWs) bands (ev): -13.3828 -13.3828 -6.1578 -6.1578 -0.4387 -0.4387 0.8446 0.8446 1.2738 1.2738 1.9478 1.9478 2.7973 2.7973 3.1567 3.1567 3.5524 3.5524 4.6721 4.6721 6.7794 6.7794 8.7149 8.7149 10.3163 10.3163 14.4976 14.4976 16.1237 16.1237 18.7380 18.7380 k = 0.2021 0.0407-0.0532 ( 1497 PWs) bands (ev): -13.3734 -13.3734 -6.1792 -6.1792 -0.4091 -0.4091 0.8320 0.8320 1.2710 1.2710 1.9081 1.9081 2.7917 2.7917 3.1478 3.1478 3.5544 3.5544 4.7185 4.7185 6.8338 6.8338 8.6969 8.6969 10.3263 10.3263 14.5107 14.5107 15.9786 15.9786 18.7561 18.7561 k = 0.2128 0.0428-0.0560 ( 1496 PWs) bands (ev): -13.3637 -13.3637 -6.2009 -6.2009 -0.3785 -0.3785 0.8184 0.8184 1.2672 1.2672 1.8693 1.8693 2.7875 2.7875 3.1388 3.1388 3.5567 3.5567 4.7660 4.7660 6.8860 6.8860 8.6781 8.6781 10.3390 10.3390 14.5230 14.5230 15.8339 15.8339 18.7764 18.7764 k = 0.2234 0.0449-0.0588 ( 1496 PWs) bands (ev): -13.3539 -13.3539 -6.2230 -6.2230 -0.3469 -0.3469 0.8037 0.8037 1.2625 1.2625 1.8316 1.8316 2.7845 2.7845 3.1297 3.1297 3.5595 3.5595 4.8145 4.8145 6.9357 6.9357 8.6589 8.6589 10.3547 10.3547 14.5342 14.5342 15.6904 15.6904 18.7985 18.7985 k = 0.2340 0.0471-0.0616 ( 1498 PWs) bands (ev): -13.3439 -13.3439 -6.2453 -6.2453 -0.3145 -0.3145 0.7881 0.7881 1.2565 1.2565 1.7954 1.7954 2.7822 2.7822 3.1207 3.1207 3.5631 3.5631 4.8637 4.8637 6.9823 6.9823 8.6391 8.6391 10.3736 10.3736 14.5434 14.5434 15.5491 15.5491 18.8219 18.8219 k = 0.2447 0.0492-0.0644 ( 1493 PWs) bands (ev): -13.3338 -13.3338 -6.2676 -6.2676 -0.2813 -0.2813 0.7717 0.7717 1.2493 1.2493 1.7608 1.7608 2.7806 2.7806 3.1118 3.1118 3.5677 3.5677 4.9135 4.9135 7.0255 7.0255 8.6190 8.6190 10.3960 10.3960 14.5499 14.5499 15.4116 15.4116 18.8462 18.8462 k = 0.2553 0.0514-0.0672 ( 1494 PWs) bands (ev): -13.3236 -13.3236 -6.2900 -6.2900 -0.2475 -0.2475 0.7544 0.7544 1.2409 1.2409 1.7280 1.7280 2.7792 2.7792 3.1031 3.1031 3.5735 3.5735 4.9636 4.9636 7.0651 7.0651 8.5985 8.5985 10.4219 10.4219 14.5516 14.5516 15.2795 15.2795 18.8709 18.8709 k = 0.2660 0.0535-0.0700 ( 1496 PWs) bands (ev): -13.3134 -13.3134 -6.3122 -6.3122 -0.2132 -0.2132 0.7365 0.7365 1.2312 1.2312 1.6971 1.6971 2.7778 2.7778 3.0949 3.0949 3.5805 3.5805 5.0138 5.0138 7.1008 7.1008 8.5778 8.5778 10.4516 10.4516 14.5459 14.5459 15.1563 15.1563 18.8957 18.8957 k = 0.2766 0.0557-0.0728 ( 1495 PWs) bands (ev): -13.3032 -13.3032 -6.3343 -6.3343 -0.1783 -0.1783 0.7181 0.7181 1.2204 1.2204 1.6680 1.6680 2.7760 2.7760 3.0873 3.0873 3.5890 3.5890 5.0639 5.0639 7.1324 7.1324 8.5569 8.5569 10.4853 10.4853 14.5278 14.5278 15.0468 15.0468 18.9203 18.9203 k = 0.2872 0.0578-0.0756 ( 1494 PWs) bands (ev): -13.2931 -13.2931 -6.3560 -6.3560 -0.1432 -0.1432 0.6993 0.6993 1.2085 1.2085 1.6406 1.6406 2.7737 2.7737 3.0806 3.0806 3.5988 3.5988 5.1139 5.1139 7.1599 7.1599 8.5360 8.5360 10.5229 10.5229 14.4906 14.4906 14.9580 14.9580 18.9442 18.9442 k = 0.2979 0.0599-0.0784 ( 1498 PWs) bands (ev): -13.2831 -13.2831 -6.3774 -6.3774 -0.1079 -0.1079 0.6803 0.6803 1.1957 1.1957 1.6149 1.6149 2.7706 2.7706 3.0748 3.0748 3.6099 3.6099 5.1634 5.1634 7.1831 7.1831 8.5151 8.5151 10.5645 10.5645 14.4287 14.4287 14.8955 14.8955 18.9672 18.9672 k = 0.3085 0.0621-0.0812 ( 1497 PWs) bands (ev): -13.2732 -13.2732 -6.3983 -6.3983 -0.0726 -0.0726 0.6614 0.6614 1.1822 1.1822 1.5905 1.5905 2.7666 2.7666 3.0702 3.0702 3.6223 3.6223 5.2123 5.2123 7.2022 7.2022 8.4944 8.4944 10.6100 10.6100 14.3432 14.3432 14.8584 14.8584 18.9889 18.9889 k = 0.3191 0.0642-0.0840 ( 1498 PWs) bands (ev): -13.2636 -13.2636 -6.4187 -6.4187 -0.0374 -0.0374 0.6426 0.6426 1.1682 1.1682 1.5674 1.5674 2.7616 2.7616 3.0667 3.0667 3.6359 3.6359 5.2604 5.2604 7.2172 7.2172 8.4739 8.4739 10.6594 10.6594 14.2412 14.2412 14.8397 14.8397 19.0091 19.0091 k = 0.3298 0.0664-0.0868 ( 1495 PWs) bands (ev): -13.2542 -13.2542 -6.4384 -6.4384 -0.0025 -0.0025 0.6243 0.6243 1.1541 1.1541 1.5453 1.5453 2.7557 2.7557 3.0644 3.0644 3.6504 3.6504 5.3076 5.3076 7.2283 7.2283 8.4538 8.4538 10.7125 10.7125 14.1299 14.1299 14.8325 14.8325 19.0275 19.0275 k = 0.3404 0.0685-0.0896 ( 1496 PWs) bands (ev): -13.2452 -13.2452 -6.4574 -6.4574 0.0318 0.0318 0.6066 0.6066 1.1398 1.1398 1.5240 1.5240 2.7490 2.7490 3.0632 3.0632 3.6657 3.6657 5.3537 5.3537 7.2357 7.2357 8.4341 8.4341 10.7690 10.7690 14.0141 14.0141 14.8318 14.8318 19.0439 19.0439 k = 0.3511 0.0706-0.0924 ( 1495 PWs) bands (ev): -13.2364 -13.2364 -6.4755 -6.4755 0.0653 0.0653 0.5899 0.5899 1.1258 1.1258 1.5033 1.5033 2.7415 2.7415 3.0630 3.0630 3.6817 3.6817 5.3984 5.3984 7.2397 7.2397 8.4150 8.4150 10.8288 10.8288 13.8967 13.8967 14.8349 14.8349 19.0581 19.0581 k = 0.3617 0.0728-0.0952 ( 1493 PWs) bands (ev): -13.2281 -13.2281 -6.4927 -6.4927 0.0976 0.0976 0.5743 0.5743 1.1122 1.1122 1.4831 1.4831 2.7336 2.7336 3.0636 3.0636 3.6980 3.6980 5.4416 5.4416 7.2406 7.2406 8.3967 8.3967 10.8914 10.8914 13.7795 13.7795 14.8401 14.8401 19.0701 19.0701 k = 0.3723 0.0749-0.0980 ( 1492 PWs) bands (ev): -13.2202 -13.2202 -6.5090 -6.5090 0.1286 0.1286 0.5603 0.5603 1.0990 1.0990 1.4633 1.4633 2.7254 2.7254 3.0649 3.0649 3.7145 3.7145 5.4831 5.4831 7.2388 7.2388 8.3791 8.3791 10.9566 10.9566 13.6637 13.6637 14.8465 14.8465 19.0798 19.0798 k = 0.3830 0.0771-0.1008 ( 1491 PWs) bands (ev): -13.2127 -13.2127 -6.5243 -6.5243 0.1576 0.1576 0.5482 0.5482 1.0865 1.0865 1.4439 1.4439 2.7171 2.7171 3.0667 3.0667 3.7309 3.7309 5.5227 5.5227 7.2347 7.2347 8.3625 8.3625 11.0239 11.0239 13.5500 13.5500 14.8535 14.8535 19.0873 19.0873 k = 0.3936 0.0792-0.1036 ( 1491 PWs) bands (ev): -13.2058 -13.2058 -6.5384 -6.5384 0.1844 0.1844 0.5383 0.5383 1.0747 1.0747 1.4250 1.4250 2.7090 2.7090 3.0689 3.0689 3.7469 3.7469 5.5601 5.5601 7.2288 7.2288 8.3468 8.3468 11.0927 11.0927 13.4391 13.4391 14.8605 14.8605 19.0926 19.0926 k = 0.4043 0.0813-0.1064 ( 1489 PWs) bands (ev): -13.1994 -13.1994 -6.5514 -6.5514 0.2084 0.2084 0.5308 0.5308 1.0638 1.0638 1.4066 1.4066 2.7012 2.7012 3.0712 3.0712 3.7623 3.7623 5.5951 5.5951 7.2215 7.2215 8.3323 8.3323 11.1624 11.1624 13.3317 13.3317 14.8675 14.8675 19.0960 19.0960 k = 0.4149 0.0835-0.1092 ( 1493 PWs) bands (ev): -13.1936 -13.1936 -6.5632 -6.5632 0.2292 0.2292 0.5261 0.5261 1.0538 1.0538 1.3890 1.3890 2.6938 2.6938 3.0736 3.0736 3.7769 3.7769 5.6274 5.6274 7.2132 7.2132 8.3190 8.3190 11.2324 11.2324 13.2284 13.2284 14.8740 14.8740 19.0978 19.0978 k = 0.4255 0.0856-0.1120 ( 1496 PWs) bands (ev): -13.1883 -13.1883 -6.5738 -6.5738 0.2465 0.2465 0.5242 0.5242 1.0447 1.0447 1.3723 1.3723 2.6870 2.6870 3.0760 3.0760 3.7904 3.7904 5.6567 5.6567 7.2045 7.2045 8.3070 8.3070 11.3016 11.3016 13.1302 13.1302 14.8801 14.8801 19.0981 19.0981 k = 0.4362 0.0878-0.1148 ( 1496 PWs) bands (ev): -13.1838 -13.1838 -6.5830 -6.5830 0.2602 0.2602 0.5250 0.5250 1.0367 1.0367 1.3568 1.3568 2.6810 2.6810 3.0782 3.0782 3.8026 3.8026 5.6829 5.6829 7.1957 7.1957 8.2965 8.2965 11.3690 11.3690 13.0379 13.0379 14.8855 14.8855 19.0975 19.0975 k = 0.4468 0.0899-0.1176 ( 1498 PWs) bands (ev): -13.1799 -13.1799 -6.5908 -6.5908 0.2706 0.2706 0.5278 0.5278 1.0297 1.0297 1.3429 1.3429 2.6757 2.6757 3.0802 3.0802 3.8133 3.8133 5.7056 5.7056 7.1875 7.1875 8.2874 8.2874 11.4330 11.4330 12.9532 12.9532 14.8903 14.8903 19.0962 19.0962 k = 0.4574 0.0920-0.1204 ( 1496 PWs) bands (ev): -13.1766 -13.1766 -6.5973 -6.5973 0.2779 0.2779 0.5319 0.5319 1.0239 1.0239 1.3308 1.3308 2.6713 2.6713 3.0819 3.0819 3.8223 3.8223 5.7246 5.7246 7.1801 7.1801 8.2798 8.2798 11.4915 11.4915 12.8779 12.8779 14.8943 14.8943 19.0946 19.0946 k = 0.4681 0.0942-0.1232 ( 1495 PWs) bands (ev): -13.1741 -13.1741 -6.6024 -6.6024 0.2829 0.2829 0.5363 0.5363 1.0193 1.0193 1.3210 1.3210 2.6679 2.6679 3.0833 3.0833 3.8295 3.8295 5.7397 5.7397 7.1739 7.1739 8.2739 8.2739 11.5420 11.5420 12.8143 12.8143 14.8975 14.8975 19.0930 19.0930 k = 0.4787 0.0963-0.1260 ( 1494 PWs) bands (ev): -13.1723 -13.1723 -6.6060 -6.6060 0.2859 0.2859 0.5403 0.5403 1.0159 1.0159 1.3138 1.3138 2.6654 2.6654 3.0843 3.0843 3.8347 3.8347 5.7506 5.7506 7.1692 7.1692 8.2697 8.2697 11.5816 11.5816 12.7655 12.7655 14.8998 14.8998 19.0916 19.0916 k = 0.4894 0.0985-0.1288 ( 1499 PWs) bands (ev): -13.1712 -13.1712 -6.6082 -6.6082 0.2876 0.2876 0.5430 0.5430 1.0139 1.0139 1.3093 1.3093 2.6638 2.6638 3.0849 3.0849 3.8378 3.8378 5.7572 5.7572 7.1663 7.1663 8.2671 8.2671 11.6070 11.6070 12.7346 12.7346 14.9011 14.9011 19.0907 19.0907 k = 0.5000 0.1006-0.1317 ( 1500 PWs) bands (ev): -13.1708 -13.1708 -6.6090 -6.6090 0.2881 0.2881 0.5439 0.5439 1.0132 1.0132 1.3078 1.3078 2.6633 2.6633 3.0852 3.0852 3.8389 3.8389 5.7594 5.7594 7.1653 7.1653 8.2662 8.2662 11.6158 11.6158 12.7239 12.7239 14.9016 14.9016 19.0904 19.0904 k = 0.5000 0.1006 0.3968 ( 1492 PWs) bands (ev): -12.7562 -12.7562 -8.0494 -8.0494 0.1370 0.1370 1.2291 1.2291 1.8818 1.8818 2.8284 2.8284 3.0358 3.0358 3.3995 3.3995 4.5801 4.5801 5.2327 5.2327 6.1520 6.1520 8.3380 8.3380 10.8540 10.8540 13.0646 13.0646 13.0902 13.0902 15.6732 15.6732 k = 0.4914 0.0989 0.3899 ( 1495 PWs) bands (ev): -12.7568 -12.7568 -8.0480 -8.0480 0.1369 0.1369 1.2291 1.2291 1.8813 1.8813 2.8269 2.8269 3.0369 3.0369 3.3991 3.3991 4.5795 4.5795 5.2340 5.2340 6.1492 6.1492 8.3378 8.3378 10.8565 10.8565 12.9695 12.9695 13.1869 13.1869 15.6755 15.6755 k = 0.4828 0.0971 0.3831 ( 1496 PWs) bands (ev): -12.7587 -12.7587 -8.0440 -8.0440 0.1366 0.1366 1.2288 1.2288 1.8798 1.8798 2.8228 2.8228 3.0400 3.0400 3.3980 3.3980 4.5775 4.5775 5.2380 5.2380 6.1410 6.1410 8.3373 8.3373 10.8642 10.8642 12.8649 12.8649 13.2964 13.2964 15.6823 15.6823 k = 0.4741 0.0954 0.3762 ( 1499 PWs) bands (ev): -12.7619 -12.7619 -8.0372 -8.0372 0.1361 0.1361 1.2284 1.2284 1.8774 1.8774 2.8163 2.8163 3.0447 3.0447 3.3961 3.3961 4.5742 4.5742 5.2443 5.2443 6.1275 6.1275 8.3364 8.3364 10.8764 10.8764 12.7629 12.7629 13.4068 13.4068 15.6937 15.6937 k = 0.4655 0.0937 0.3694 ( 1497 PWs) bands (ev): -12.7664 -12.7664 -8.0278 -8.0278 0.1355 0.1355 1.2279 1.2279 1.8740 1.8740 2.8077 2.8077 3.0507 3.0507 3.3936 3.3936 4.5700 4.5700 5.2526 5.2526 6.1093 6.1093 8.3352 8.3352 10.8928 10.8928 12.6643 12.6643 13.5176 13.5176 15.7095 15.7095 k = 0.4569 0.0919 0.3625 ( 1498 PWs) bands (ev): -12.7721 -12.7721 -8.0158 -8.0158 0.1346 0.1346 1.2272 1.2272 1.8696 1.8696 2.7976 2.7976 3.0576 3.0576 3.3903 3.3903 4.5648 4.5648 5.2620 5.2620 6.0872 6.0872 8.3337 8.3337 10.9124 10.9124 12.5703 12.5703 13.6283 13.6283 15.7297 15.7297 k = 0.4483 0.0902 0.3557 ( 1497 PWs) bands (ev): -12.7790 -12.7790 -8.0011 -8.0011 0.1335 0.1335 1.2263 1.2263 1.8643 1.8643 2.7863 2.7863 3.0648 3.0648 3.3864 3.3864 4.5589 4.5589 5.2718 5.2718 6.0620 6.0620 8.3319 8.3319 10.9339 10.9339 12.4818 12.4818 13.7388 13.7388 15.7544 15.7544 k = 0.4397 0.0885 0.3489 ( 1497 PWs) bands (ev): -12.7871 -12.7871 -7.9838 -7.9838 0.1322 0.1322 1.2253 1.2253 1.8581 1.8581 2.7741 2.7741 3.0721 3.0721 3.3820 3.3820 4.5526 4.5526 5.2810 5.2810 6.0350 6.0350 8.3299 8.3299 10.9560 10.9560 12.4002 12.4002 13.8486 13.8486 15.7833 15.7833 k = 0.4310 0.0867 0.3420 ( 1501 PWs) bands (ev): -12.7963 -12.7963 -7.9641 -7.9641 0.1306 0.1306 1.2241 1.2241 1.8511 1.8511 2.7613 2.7613 3.0791 3.0791 3.3769 3.3769 4.5459 4.5459 5.2881 5.2881 6.0076 6.0076 8.3277 8.3277 10.9768 10.9768 12.3273 12.3273 13.9575 13.9575 15.8164 15.8164 k = 0.4224 0.0850 0.3352 ( 1502 PWs) bands (ev): -12.8066 -12.8066 -7.9418 -7.9418 0.1288 0.1288 1.2227 1.2227 1.8432 1.8432 2.7481 2.7481 3.0855 3.0855 3.3714 3.3714 4.5390 4.5390 5.2916 5.2916 5.9816 5.9816 8.3254 8.3254 10.9941 10.9941 12.2649 12.2649 14.0653 14.0653 15.8535 15.8535 k = 0.4138 0.0833 0.3283 ( 1502 PWs) bands (ev): -12.8180 -12.8180 -7.9171 -7.9171 0.1266 0.1266 1.2211 1.2211 1.8345 1.8345 2.7347 2.7347 3.0913 3.0913 3.3655 3.3655 4.5321 4.5321 5.2899 5.2899 5.9590 5.9590 8.3231 8.3231 11.0055 11.0055 12.2151 12.2151 14.1719 14.1719 15.8946 15.8946 k = 0.4052 0.0815 0.3215 ( 1502 PWs) bands (ev): -12.8303 -12.8303 -7.8901 -7.8901 0.1241 0.1241 1.2193 1.2193 1.8250 1.8250 2.7211 2.7211 3.0963 3.0963 3.3592 3.3592 4.5251 4.5251 5.2812 5.2812 5.9416 5.9416 8.3207 8.3207 11.0089 11.0089 12.1800 12.1800 14.2770 14.2770 15.9395 15.9395 k = 0.3966 0.0798 0.3147 ( 1501 PWs) bands (ev): -12.8435 -12.8435 -7.8608 -7.8608 0.1213 0.1213 1.2173 1.2173 1.8147 1.8147 2.7075 2.7075 3.1003 3.1003 3.3527 3.3527 4.5182 4.5182 5.2643 5.2643 5.9310 5.9310 8.3183 8.3183 11.0026 11.0026 12.1608 12.1608 14.3806 14.3806 15.9879 15.9879 k = 0.3879 0.0781 0.3078 ( 1503 PWs) bands (ev): -12.8577 -12.8577 -7.8293 -7.8293 0.1180 0.1180 1.2152 1.2152 1.8038 1.8038 2.6940 2.6940 3.1032 3.1032 3.3460 3.3460 4.5112 4.5112 5.2385 5.2385 5.9281 5.9281 8.3161 8.3161 10.9855 10.9855 12.1583 12.1583 14.4826 14.4826 16.0396 16.0396 k = 0.3793 0.0763 0.3010 ( 1501 PWs) bands (ev): -12.8726 -12.8726 -7.7957 -7.7957 0.1144 0.1144 1.2128 1.2128 1.7922 1.7922 2.6805 2.6805 3.1051 3.1051 3.3393 3.3393 4.5041 4.5041 5.2041 5.2041 5.9329 5.9329 8.3140 8.3140 10.9582 10.9582 12.1719 12.1719 14.5829 14.5829 16.0945 16.0945 k = 0.3707 0.0746 0.2941 ( 1498 PWs) bands (ev): -12.8882 -12.8882 -7.7599 -7.7599 0.1102 0.1102 1.2101 1.2101 1.7799 1.7799 2.6671 2.6671 3.1058 3.1058 3.3326 3.3326 4.4967 4.4967 5.1621 5.1621 5.9447 5.9447 8.3121 8.3121 10.9217 10.9217 12.2001 12.2001 14.6816 14.6816 16.1524 16.1524 k = 0.3621 0.0728 0.2873 ( 1495 PWs) bands (ev): -12.9046 -12.9046 -7.7223 -7.7223 0.1055 0.1055 1.2072 1.2072 1.7670 1.7670 2.6539 2.6539 3.1054 3.1054 3.3259 3.3259 4.4890 4.4890 5.1138 5.1138 5.9624 5.9624 8.3106 8.3106 10.8781 10.8781 12.2408 12.2408 14.7787 14.7787 16.2129 16.2129 k = 0.3534 0.0711 0.2805 ( 1498 PWs) bands (ev): -12.9215 -12.9215 -7.6827 -7.6827 0.1002 0.1002 1.2041 1.2041 1.7534 1.7534 2.6408 2.6408 3.1040 3.1040 3.3195 3.3195 4.4806 4.4806 5.0609 5.0609 5.9849 5.9849 8.3094 8.3094 10.8291 10.8291 12.2917 12.2917 14.8743 14.8743 16.2758 16.2758 k = 0.3448 0.0694 0.2736 ( 1495 PWs) bands (ev): -12.9390 -12.9390 -7.6413 -7.6413 0.0943 0.0943 1.2008 1.2008 1.7393 1.7393 2.6279 2.6279 3.1017 3.1017 3.3133 3.3133 4.4711 4.4711 5.0049 5.0049 6.0108 6.0108 8.3087 8.3087 10.7766 10.7766 12.3509 12.3509 14.9684 14.9684 16.3409 16.3409 k = 0.3362 0.0676 0.2668 ( 1494 PWs) bands (ev): -12.9570 -12.9570 -7.5982 -7.5982 0.0877 0.0877 1.1971 1.1971 1.7246 1.7246 2.6151 2.6151 3.0984 3.0984 3.3073 3.3073 4.4602 4.4602 4.9473 4.9473 6.0392 6.0392 8.3086 8.3086 10.7224 10.7224 12.4165 12.4165 15.0611 15.0611 16.4080 16.4080 k = 0.3276 0.0659 0.2599 ( 1493 PWs) bands (ev): -12.9754 -12.9754 -7.5535 -7.5535 0.0804 0.0804 1.1932 1.1932 1.7094 1.7094 2.6024 2.6024 3.0944 3.0944 3.3017 3.3017 4.4472 4.4472 4.8895 4.8895 6.0691 6.0691 8.3092 8.3092 10.6676 10.6676 12.4870 12.4870 15.1526 15.1526 16.4768 16.4768 k = 0.3190 0.0642 0.2531 ( 1495 PWs) bands (ev): -12.9941 -12.9941 -7.5073 -7.5073 0.0722 0.0722 1.1890 1.1890 1.6936 1.6936 2.5900 2.5900 3.0898 3.0898 3.2964 3.2964 4.4315 4.4315 4.8332 4.8332 6.0998 6.0998 8.3105 8.3105 10.6133 10.6133 12.5612 12.5612 15.2429 15.2429 16.5473 16.5473 k = 0.3103 0.0624 0.2463 ( 1495 PWs) bands (ev): -13.0131 -13.0131 -7.4596 -7.4596 0.0632 0.0632 1.1845 1.1845 1.6773 1.6773 2.5777 2.5777 3.0846 3.0846 3.2914 3.2914 4.4120 4.4120 4.7796 4.7796 6.1305 6.1305 8.3127 8.3127 10.5605 10.5605 12.6381 12.6381 15.3322 15.3322 16.6192 16.6192 k = 0.3017 0.0607 0.2394 ( 1495 PWs) bands (ev): -13.0324 -13.0324 -7.4107 -7.4107 0.0532 0.0532 1.1797 1.1797 1.6605 1.6605 2.5656 2.5656 3.0792 3.0792 3.2869 3.2869 4.3878 4.3878 4.7305 4.7305 6.1606 6.1606 8.3160 8.3160 10.5097 10.5097 12.7167 12.7167 15.4206 15.4206 16.6925 16.6925 k = 0.2931 0.0590 0.2326 ( 1493 PWs) bands (ev): -13.0517 -13.0517 -7.3605 -7.3605 0.0422 0.0422 1.1746 1.1746 1.6433 1.6433 2.5538 2.5538 3.0735 3.0735 3.2827 3.2827 4.3580 4.3580 4.6869 4.6869 6.1896 6.1896 8.3204 8.3204 10.4614 10.4614 12.7965 12.7965 15.5082 15.5082 16.7670 16.7670 k = 0.2845 0.0572 0.2257 ( 1495 PWs) bands (ev): -13.0712 -13.0712 -7.3092 -7.3092 0.0301 0.0301 1.1692 1.1692 1.6255 1.6255 2.5421 2.5421 3.0678 3.0678 3.2789 3.2789 4.3225 4.3225 4.6496 4.6496 6.2169 6.2169 8.3260 8.3260 10.4162 10.4162 12.8768 12.8768 15.5950 15.5950 16.8427 16.8427 k = 0.2759 0.0555 0.2189 ( 1494 PWs) bands (ev): -13.0907 -13.0907 -7.2569 -7.2569 0.0168 0.0168 1.1634 1.1634 1.6075 1.6075 2.5308 2.5308 3.0622 3.0622 3.2754 3.2754 4.2815 4.2815 4.6184 4.6184 6.2423 6.2423 8.3331 8.3331 10.3743 10.3743 12.9571 12.9571 15.6811 15.6811 16.9195 16.9195 k = 0.2672 0.0538 0.2121 ( 1492 PWs) bands (ev): -13.1102 -13.1102 -7.2037 -7.2037 0.0023 0.0023 1.1572 1.1572 1.5890 1.5890 2.5198 2.5198 3.0568 3.0568 3.2724 3.2724 4.2361 4.2361 4.5925 4.5925 6.2652 6.2652 8.3416 8.3416 10.3359 10.3359 13.0370 13.0370 15.7666 15.7666 16.9974 16.9974 k = 0.2586 0.0520 0.2052 ( 1491 PWs) bands (ev): -13.1296 -13.1296 -7.1497 -7.1497 -0.0135 -0.0135 1.1507 1.1507 1.5703 1.5703 2.5092 2.5092 3.0517 3.0517 3.2698 3.2698 4.1877 4.1877 4.5707 4.5707 6.2854 6.2854 8.3518 8.3518 10.3012 10.3012 13.1160 13.1160 15.8515 15.8515 17.0763 17.0763 k = 0.2500 0.0503 0.1984 ( 1493 PWs) bands (ev): -13.1489 -13.1489 -7.0951 -7.0951 -0.0307 -0.0307 1.1438 1.1438 1.5514 1.5514 2.4990 2.4990 3.0470 3.0470 3.2677 3.2677 4.1376 4.1376 4.5519 4.5519 6.3026 6.3026 8.3637 8.3637 10.2703 10.2703 13.1938 13.1938 15.9359 15.9359 17.1564 17.1564 k = 0.2414 0.0486 0.1915 ( 1492 PWs) bands (ev): -13.1680 -13.1680 -7.0400 -7.0400 -0.0492 -0.0492 1.1365 1.1365 1.5325 1.5325 2.4893 2.4893 3.0427 3.0427 3.2659 3.2659 4.0869 4.0869 4.5353 4.5353 6.3165 6.3165 8.3773 8.3773 10.2432 10.2432 13.2702 13.2702 16.0197 16.0197 17.2375 17.2375 k = 0.2328 0.0468 0.1847 ( 1494 PWs) bands (ev): -13.1869 -13.1869 -6.9844 -6.9844 -0.0693 -0.0693 1.1288 1.1288 1.5136 1.5136 2.4801 2.4801 3.0391 3.0391 3.2647 3.2647 4.0363 4.0363 4.5200 4.5200 6.3271 6.3271 8.3927 8.3927 10.2200 10.2200 13.3447 13.3447 16.1029 16.1029 17.3196 17.3196 k = 0.2241 0.0451 0.1779 ( 1494 PWs) bands (ev): -13.2055 -13.2055 -6.9286 -6.9286 -0.0908 -0.0908 1.1206 1.1206 1.4949 1.4949 2.4714 2.4714 3.0360 3.0360 3.2639 3.2639 3.9865 3.9865 4.5057 4.5057 6.3343 6.3343 8.4098 8.4098 10.2005 10.2005 13.4173 13.4173 16.1856 16.1856 17.4028 17.4028 k = 0.2155 0.0434 0.1710 ( 1493 PWs) bands (ev): -13.2237 -13.2237 -6.8726 -6.8726 -0.1137 -0.1137 1.1120 1.1120 1.4764 1.4764 2.4634 2.4634 3.0335 3.0335 3.2636 3.2636 3.9378 3.9378 4.4920 4.4920 6.3380 6.3380 8.4286 8.4286 10.1847 10.1847 13.4878 13.4878 16.2677 16.2677 17.4870 17.4870 k = 0.2069 0.0416 0.1642 ( 1491 PWs) bands (ev): -13.2416 -13.2416 -6.8167 -6.8167 -0.1382 -0.1382 1.1030 1.1030 1.4585 1.4585 2.4559 2.4559 3.0318 3.0318 3.2637 3.2637 3.8905 3.8905 4.4787 4.4787 6.3384 6.3384 8.4490 8.4490 10.1725 10.1725 13.5558 13.5558 16.3491 16.3491 17.5722 17.5722 k = 0.1983 0.0399 0.1573 ( 1488 PWs) bands (ev): -13.2590 -13.2590 -6.7609 -6.7609 -0.1641 -0.1641 1.0936 1.0936 1.4411 1.4411 2.4490 2.4490 3.0307 3.0307 3.2644 3.2644 3.8449 3.8449 4.4655 4.4655 6.3355 6.3355 8.4708 8.4708 10.1637 10.1637 13.6213 13.6213 16.4297 16.4297 17.6583 17.6583 k = 0.1897 0.0382 0.1505 ( 1491 PWs) bands (ev): -13.2760 -13.2760 -6.7054 -6.7054 -0.1913 -0.1913 1.0837 1.0837 1.4244 1.4244 2.4428 2.4428 3.0303 3.0303 3.2656 3.2656 3.8010 3.8010 4.4525 4.4525 6.3296 6.3296 8.4939 8.4939 10.1580 10.1580 13.6841 13.6841 16.5096 16.5096 17.7452 17.7452 k = 0.1810 0.0364 0.1437 ( 1493 PWs) bands (ev): -13.2925 -13.2925 -6.6504 -6.6504 -0.2199 -0.2199 1.0735 1.0735 1.4086 1.4086 2.4372 2.4372 3.0307 3.0307 3.2673 3.2673 3.7589 3.7589 4.4395 4.4395 6.3208 6.3208 8.5180 8.5180 10.1553 10.1553 13.7442 13.7442 16.5885 16.5885 17.8328 17.8328 k = 0.1724 0.0347 0.1368 ( 1494 PWs) bands (ev): -13.3085 -13.3085 -6.5960 -6.5960 -0.2496 -0.2496 1.0630 1.0630 1.3936 1.3936 2.4322 2.4322 3.0318 3.0318 3.2695 3.2695 3.7187 3.7187 4.4265 4.4265 6.3095 6.3095 8.5429 8.5429 10.1553 10.1553 13.8014 13.8014 16.6664 16.6664 17.9210 17.9210 k = 0.1638 0.0330 0.1300 ( 1496 PWs) bands (ev): -13.3239 -13.3239 -6.5424 -6.5424 -0.2804 -0.2804 1.0523 1.0523 1.3797 1.3797 2.4278 2.4278 3.0337 3.0337 3.2721 3.2721 3.6802 3.6802 4.4136 4.4136 6.2960 6.2960 8.5685 8.5685 10.1578 10.1578 13.8556 13.8556 16.7432 16.7432 18.0095 18.0095 k = 0.1552 0.0312 0.1231 ( 1498 PWs) bands (ev): -13.3387 -13.3387 -6.4898 -6.4898 -0.3119 -0.3119 1.0414 1.0414 1.3667 1.3667 2.4239 2.4239 3.0362 3.0362 3.2752 3.2752 3.6436 3.6436 4.4008 4.4008 6.2805 6.2805 8.5943 8.5943 10.1625 10.1625 13.9070 13.9070 16.8186 16.8186 18.0983 18.0983 k = 0.1466 0.0295 0.1163 ( 1500 PWs) bands (ev): -13.3529 -13.3529 -6.4384 -6.4384 -0.3441 -0.3441 1.0305 1.0305 1.3549 1.3549 2.4205 2.4205 3.0396 3.0396 3.2787 3.2787 3.6087 3.6087 4.3880 4.3880 6.2635 6.2635 8.6203 8.6203 10.1691 10.1691 13.9552 13.9552 16.8924 16.8924 18.1870 18.1870 k = 0.1379 0.0278 0.1094 ( 1500 PWs) bands (ev): -13.3664 -13.3664 -6.3884 -6.3884 -0.3768 -0.3768 1.0197 1.0197 1.3440 1.3440 2.4177 2.4177 3.0436 3.0436 3.2826 3.2826 3.5754 3.5754 4.3755 4.3755 6.2452 6.2452 8.6460 8.6460 10.1774 10.1774 14.0005 14.0005 16.9646 16.9646 18.2754 18.2754 k = 0.1293 0.0260 0.1026 ( 1498 PWs) bands (ev): -13.3792 -13.3792 -6.3399 -6.3399 -0.4095 -0.4095 1.0090 1.0090 1.3341 1.3341 2.4152 2.4152 3.0484 3.0484 3.2869 3.2869 3.5438 3.5438 4.3631 4.3631 6.2261 6.2261 8.6714 8.6714 10.1870 10.1870 14.0428 14.0428 17.0347 17.0347 18.3631 18.3631 k = 0.1207 0.0243 0.0958 ( 1496 PWs) bands (ev): -13.3913 -13.3913 -6.2932 -6.2932 -0.4421 -0.4421 0.9986 0.9986 1.3252 1.3252 2.4132 2.4132 3.0539 3.0539 3.2913 3.2913 3.5138 3.5138 4.3510 4.3510 6.2064 6.2064 8.6962 8.6962 10.1977 10.1977 14.0820 14.0820 17.1027 17.1027 18.4498 18.4498 k = 0.1121 0.0225 0.0889 ( 1497 PWs) bands (ev): -13.4027 -13.4027 -6.2485 -6.2485 -0.4744 -0.4744 0.9886 0.9886 1.3172 1.3172 2.4115 2.4115 3.0601 3.0601 3.2960 3.2960 3.4852 3.4852 4.3393 4.3393 6.1865 6.1865 8.7200 8.7200 10.2091 10.2091 14.1182 14.1182 17.1681 17.1681 18.5351 18.5351 k = 0.1034 0.0208 0.0821 ( 1500 PWs) bands (ev): -13.4134 -13.4134 -6.2060 -6.2060 -0.5058 -0.5058 0.9790 0.9790 1.3100 1.3100 2.4102 2.4102 3.0670 3.0670 3.3007 3.3007 3.4582 3.4582 4.3280 4.3280 6.1667 6.1667 8.7429 8.7429 10.2211 10.2211 14.1515 14.1515 17.2307 17.2307 18.6185 18.6185 k = 0.0948 0.0191 0.0752 ( 1506 PWs) bands (ev): -13.4232 -13.4232 -6.1659 -6.1659 -0.5363 -0.5363 0.9700 0.9700 1.3037 1.3037 2.4091 2.4091 3.0745 3.0745 3.3053 3.3053 3.4325 3.4325 4.3172 4.3172 6.1472 6.1472 8.7644 8.7644 10.2332 10.2332 14.1818 14.1818 17.2901 17.2901 18.6996 18.6996 k = 0.0862 0.0173 0.0684 ( 1508 PWs) bands (ev): -13.4323 -13.4323 -6.1284 -6.1284 -0.5654 -0.5654 0.9616 0.9616 1.2981 1.2981 2.4082 2.4082 3.0828 3.0828 3.3097 3.3097 3.4084 3.4084 4.3069 4.3069 6.1285 6.1285 8.7846 8.7846 10.2452 10.2452 14.2093 14.2093 17.3461 17.3461 18.7776 18.7776 k = 0.0776 0.0156 0.0616 ( 1511 PWs) bands (ev): -13.4405 -13.4405 -6.0937 -6.0937 -0.5928 -0.5928 0.9538 0.9538 1.2932 1.2932 2.4076 2.4076 3.0917 3.0917 3.3133 3.3133 3.3861 3.3861 4.2974 4.2974 6.1107 6.1107 8.8033 8.8033 10.2570 10.2570 14.2339 14.2339 17.3981 17.3981 18.8521 18.8521 k = 0.0690 0.0139 0.0547 ( 1515 PWs) bands (ev): -13.4479 -13.4479 -6.0620 -6.0620 -0.6183 -0.6183 0.9467 0.9467 1.2889 1.2889 2.4071 2.4071 3.1013 3.1013 3.3153 3.3153 3.3663 3.3663 4.2885 4.2885 6.0941 6.0941 8.8203 8.8203 10.2682 10.2682 14.2557 14.2557 17.4460 17.4460 18.9223 18.9223 k = 0.0603 0.0121 0.0479 ( 1519 PWs) bands (ev): -13.4545 -13.4545 -6.0336 -6.0336 -0.6415 -0.6415 0.9404 0.9404 1.2852 1.2852 2.4067 2.4067 3.1115 3.1115 3.3133 3.3133 3.3513 3.3513 4.2805 4.2805 6.0790 6.0790 8.8356 8.8356 10.2786 10.2786 14.2748 14.2748 17.4892 17.4892 18.9874 18.9874 k = 0.0517 0.0104 0.0410 ( 1519 PWs) bands (ev): -13.4602 -13.4602 -6.0085 -6.0085 -0.6622 -0.6622 0.9349 0.9349 1.2821 1.2821 2.4064 2.4064 3.1223 3.1223 3.3039 3.3039 3.3443 3.3443 4.2734 4.2734 6.0654 6.0654 8.8490 8.8490 10.2881 10.2881 14.2913 14.2913 17.5276 17.5276 19.0465 19.0465 k = 0.0431 0.0087 0.0342 ( 1520 PWs) bands (ev): -13.4651 -13.4651 -5.9870 -5.9870 -0.6802 -0.6802 0.9302 0.9302 1.2795 1.2795 2.4063 2.4063 3.1337 3.1337 3.2891 3.2891 3.3433 3.3433 4.2672 4.2672 6.0536 6.0536 8.8605 8.8605 10.2964 10.2964 14.3052 14.3052 17.5606 17.5606 19.0988 19.0988 k = 0.0345 0.0069 0.0274 ( 1522 PWs) bands (ev): -13.4691 -13.4691 -5.9692 -5.9692 -0.6952 -0.6952 0.9264 0.9264 1.2775 1.2775 2.4061 2.4061 3.1455 3.1455 3.2726 3.2726 3.3444 3.3444 4.2621 4.2621 6.0438 6.0438 8.8700 8.8700 10.3035 10.3035 14.3164 14.3164 17.5881 17.5881 19.1433 19.1433 k = 0.0259 0.0052 0.0205 ( 1524 PWs) bands (ev): -13.4722 -13.4722 -5.9552 -5.9552 -0.7071 -0.7071 0.9233 0.9233 1.2759 1.2759 2.4061 2.4061 3.1578 3.1578 3.2563 3.2563 3.3459 3.3459 4.2580 4.2580 6.0360 6.0360 8.8774 8.8774 10.3091 10.3091 14.3252 14.3252 17.6098 17.6098 19.1791 19.1791 k = 0.0172 0.0035 0.0137 ( 1525 PWs) bands (ev): -13.4744 -13.4744 -5.9451 -5.9451 -0.7157 -0.7157 0.9212 0.9212 1.2748 1.2748 2.4060 2.4060 3.1700 3.1700 3.2409 3.2409 3.3473 3.3473 4.2551 4.2551 6.0304 6.0304 8.8827 8.8827 10.3131 10.3131 14.3314 14.3314 17.6255 17.6255 19.2053 19.2053 k = 0.0086 0.0017 0.0068 ( 1526 PWs) bands (ev): -13.4757 -13.4757 -5.9390 -5.9390 -0.7209 -0.7209 0.9199 0.9199 1.2741 1.2741 2.4060 2.4060 3.1810 3.1810 3.2280 3.2280 3.3481 3.3481 4.2533 4.2533 6.0270 6.0270 8.8859 8.8859 10.3156 10.3156 14.3352 14.3352 17.6349 17.6349 19.2214 19.2214 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4762 -13.4762 -5.9370 -5.9370 -0.7226 -0.7226 0.9194 0.9194 1.2739 1.2739 2.4060 2.4060 3.1864 3.1864 3.2220 3.2220 3.3484 3.3484 4.2527 4.2527 6.0258 6.0258 8.8870 8.8870 10.3165 10.3165 14.3365 14.3365 17.6381 17.6381 19.2268 19.2268 Writing output data file HgO2.save init_run : 0.16s CPU 0.35s WALL ( 1 calls) electrons : 77.69s CPU 79.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 77.69s CPU 79.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 467 calls) cegterg : 73.42s CPU 75.01s WALL ( 515 calls) Called by sum_band: Called by *egterg: h_psi : 37.04s CPU 38.28s WALL ( 8947 calls) s_psi : 1.25s CPU 1.37s WALL ( 8947 calls) g_psi : 0.11s CPU 0.11s WALL ( 7965 calls) cdiaghg : 31.27s CPU 32.00s WALL ( 8432 calls) cegterg:over : 2.96s CPU 2.84s WALL ( 7965 calls) cegterg:upda : 1.80s CPU 1.75s WALL ( 7965 calls) cegterg:last : 1.28s CPU 1.27s WALL ( 2314 calls) cdiaghg:chol : 1.60s CPU 1.58s WALL ( 8432 calls) cdiaghg:inve : 0.77s CPU 0.84s WALL ( 8432 calls) cdiaghg:para : 1.88s CPU 1.79s WALL ( 16864 calls) Called by h_psi: h_psi:vloc : 33.77s CPU 34.81s WALL ( 8947 calls) h_psi:vnl : 3.24s CPU 3.42s WALL ( 8947 calls) add_vuspsi : 1.76s CPU 1.84s WALL ( 8947 calls) General routines calbec : 1.46s CPU 1.55s WALL ( 8947 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 31.26s CPU 32.19s WALL ( 873296 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.14s WALL ( 934 calls) Parallel routines fft_scatter : 16.47s CPU 17.15s WALL ( 873319 calls) PWSCF : 1m27.83s CPU 1m51.42s WALL This run was terminated on: 19:46: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=