Program PWSCF v.5.1.1 starts on 29May2015 at 8:52:25 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 13 4 819 239 42 Max 31 14 5 822 260 44 Sum 1447 653 203 39389 11993 2071 bravais-lattice index = 14 lattice parameter (alat) = 6.6666 a.u. unit-cell volume = 274.8461 (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)= 6.666581 celldm(2)= 1.000000 celldm(3)= 0.997505 celldm(4)= 0.200500 celldm(5)= 0.200500 celldm(6)= -0.197257 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.197257 0.980352 0.000000 ) a(3) = ( 0.200000 0.244251 0.946233 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.201211 -0.263303 ) b(2) = ( 0.000000 1.020042 -0.263303 ) b(3) = ( 0.000000 0.000000 1.056822 ) PseudoPot. # 1 for Hg read from file: /home/autes/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: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients 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: E 1 i 2 -E -1 -i -2 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) = ( 0.0069603 0.0085003 -0.0021942), wk = 0.0021413 k( 3) = ( 0.0139207 0.0170007 -0.0043884), wk = 0.0021413 k( 4) = ( 0.0208811 0.0255011 -0.0065826), wk = 0.0021413 k( 5) = ( 0.0278414 0.0340014 -0.0087768), wk = 0.0021413 k( 6) = ( 0.0348018 0.0425017 -0.0109710), wk = 0.0021413 k( 7) = ( 0.0417621 0.0510021 -0.0131651), wk = 0.0021413 k( 8) = ( 0.0487225 0.0595025 -0.0153593), wk = 0.0021413 k( 9) = ( 0.0556828 0.0680028 -0.0175535), wk = 0.0021413 k( 10) = ( 0.0626432 0.0765032 -0.0197477), wk = 0.0021413 k( 11) = ( 0.0696035 0.0850035 -0.0219419), wk = 0.0021413 k( 12) = ( 0.0765639 0.0935039 -0.0241361), wk = 0.0021413 k( 13) = ( 0.0835242 0.1020042 -0.0263303), wk = 0.0021413 k( 14) = ( 0.0904846 0.1105046 -0.0285245), wk = 0.0021413 k( 15) = ( 0.0974449 0.1190049 -0.0307187), wk = 0.0021413 k( 16) = ( 0.1044053 0.1275053 -0.0329129), wk = 0.0021413 k( 17) = ( 0.1113656 0.1360056 -0.0351071), wk = 0.0021413 k( 18) = ( 0.1183260 0.1445060 -0.0373013), wk = 0.0021413 k( 19) = ( 0.1252863 0.1530063 -0.0394954), wk = 0.0021413 k( 20) = ( 0.1322467 0.1615067 -0.0416896), wk = 0.0021413 k( 21) = ( 0.1392071 0.1700070 -0.0438838), wk = 0.0021413 k( 22) = ( 0.1461674 0.1785074 -0.0460780), wk = 0.0021413 k( 23) = ( 0.1531278 0.1870077 -0.0482722), wk = 0.0021413 k( 24) = ( 0.1600881 0.1955081 -0.0504664), wk = 0.0021413 k( 25) = ( 0.1670485 0.2040084 -0.0526606), wk = 0.0021413 k( 26) = ( 0.1740088 0.2125088 -0.0548548), wk = 0.0021413 k( 27) = ( 0.1809692 0.2210091 -0.0570490), wk = 0.0021413 k( 28) = ( 0.1879295 0.2295095 -0.0592432), wk = 0.0021413 k( 29) = ( 0.1948899 0.2380098 -0.0614374), wk = 0.0021413 k( 30) = ( 0.2018502 0.2465102 -0.0636315), wk = 0.0021413 k( 31) = ( 0.2088106 0.2550105 -0.0658257), wk = 0.0021413 k( 32) = ( 0.2157709 0.2635109 -0.0680199), wk = 0.0021413 k( 33) = ( 0.2227313 0.2720112 -0.0702141), wk = 0.0021413 k( 34) = ( 0.2296916 0.2805116 -0.0724083), wk = 0.0021413 k( 35) = ( 0.2366520 0.2890119 -0.0746025), wk = 0.0021413 k( 36) = ( 0.2436124 0.2975123 -0.0767967), wk = 0.0021413 k( 37) = ( 0.2505727 0.3060126 -0.0789909), wk = 0.0021413 k( 38) = ( 0.2575330 0.3145130 -0.0811851), wk = 0.0021413 k( 39) = ( 0.2644934 0.3230133 -0.0833793), wk = 0.0021413 k( 40) = ( 0.2714538 0.3315137 -0.0855735), wk = 0.0021413 k( 41) = ( 0.2784141 0.3400140 -0.0877676), wk = 0.0021413 k( 42) = ( 0.2853745 0.3485144 -0.0899618), wk = 0.0021413 k( 43) = ( 0.2923348 0.3570147 -0.0921560), wk = 0.0021413 k( 44) = ( 0.2992952 0.3655151 -0.0943502), wk = 0.0021413 k( 45) = ( 0.3062555 0.3740154 -0.0965444), wk = 0.0021413 k( 46) = ( 0.3132159 0.3825158 -0.0987386), wk = 0.0021413 k( 47) = ( 0.3201762 0.3910161 -0.1009328), wk = 0.0021413 k( 48) = ( 0.3271366 0.3995165 -0.1031270), wk = 0.0021413 k( 49) = ( 0.3340969 0.4080168 -0.1053212), wk = 0.0021413 k( 50) = ( 0.3410573 0.4165172 -0.1075154), wk = 0.0021413 k( 51) = ( 0.3480176 0.4250175 -0.1097096), wk = 0.0021413 k( 52) = ( 0.3549780 0.4335179 -0.1119038), wk = 0.0021413 k( 53) = ( 0.3619384 0.4420182 -0.1140980), wk = 0.0021413 k( 54) = ( 0.3688987 0.4505186 -0.1162921), wk = 0.0021413 k( 55) = ( 0.3758590 0.4590189 -0.1184863), wk = 0.0021413 k( 56) = ( 0.3828194 0.4675193 -0.1206805), wk = 0.0021413 k( 57) = ( 0.3897798 0.4760196 -0.1228747), wk = 0.0021413 k( 58) = ( 0.3967401 0.4845200 -0.1250689), wk = 0.0021413 k( 59) = ( 0.4037005 0.4930203 -0.1272631), wk = 0.0021413 k( 60) = ( 0.4106608 0.5015207 -0.1294573), wk = 0.0021413 k( 61) = ( 0.4176212 0.5100210 -0.1316515), wk = 0.0021413 k( 62) = ( 0.4176212 0.5100210 -0.1316515), wk = 0.0021413 k( 63) = ( 0.4198280 0.5127162 -0.1212104), wk = 0.0021413 k( 64) = ( 0.4220349 0.5154113 -0.1107694), wk = 0.0021413 k( 65) = ( 0.4242418 0.5181064 -0.1003284), wk = 0.0021413 k( 66) = ( 0.4264486 0.5208016 -0.0898873), wk = 0.0021413 k( 67) = ( 0.4286555 0.5234967 -0.0794463), wk = 0.0021413 k( 68) = ( 0.4308624 0.5261919 -0.0690052), wk = 0.0021413 k( 69) = ( 0.4330692 0.5288870 -0.0585642), wk = 0.0021413 k( 70) = ( 0.4352761 0.5315821 -0.0481231), wk = 0.0021413 k( 71) = ( 0.4374830 0.5342773 -0.0376821), wk = 0.0021413 k( 72) = ( 0.4396898 0.5369724 -0.0272411), wk = 0.0021413 k( 73) = ( 0.4418967 0.5396676 -0.0168000), wk = 0.0021413 k( 74) = ( 0.4441036 0.5423627 -0.0063590), wk = 0.0021413 k( 75) = ( 0.4463104 0.5450578 0.0040821), wk = 0.0021413 k( 76) = ( 0.4485173 0.5477530 0.0145231), wk = 0.0021413 k( 77) = ( 0.4507241 0.5504481 0.0249641), wk = 0.0021413 k( 78) = ( 0.4529310 0.5531433 0.0354052), wk = 0.0021413 k( 79) = ( 0.4551379 0.5558384 0.0458462), wk = 0.0021413 k( 80) = ( 0.4573448 0.5585336 0.0562873), wk = 0.0021413 k( 81) = ( 0.4595516 0.5612287 0.0667283), wk = 0.0021413 k( 82) = ( 0.4617585 0.5639238 0.0771693), wk = 0.0021413 k( 83) = ( 0.4639653 0.5666190 0.0876104), wk = 0.0021413 k( 84) = ( 0.4661722 0.5693141 0.0980514), wk = 0.0021413 k( 85) = ( 0.4683791 0.5720093 0.1084925), wk = 0.0021413 k( 86) = ( 0.4705859 0.5747044 0.1189335), wk = 0.0021413 k( 87) = ( 0.4727928 0.5773995 0.1293746), wk = 0.0021413 k( 88) = ( 0.4749997 0.5800947 0.1398156), wk = 0.0021413 k( 89) = ( 0.4772065 0.5827898 0.1502566), wk = 0.0021413 k( 90) = ( 0.4794134 0.5854850 0.1606977), wk = 0.0021413 k( 91) = ( 0.4816203 0.5881801 0.1711387), wk = 0.0021413 k( 92) = ( 0.4838271 0.5908752 0.1815798), wk = 0.0021413 k( 93) = ( 0.4860340 0.5935704 0.1920208), wk = 0.0021413 k( 94) = ( 0.4882409 0.5962655 0.2024618), wk = 0.0021413 k( 95) = ( 0.4904477 0.5989607 0.2129029), wk = 0.0021413 k( 96) = ( 0.4926546 0.6016558 0.2233439), wk = 0.0021413 k( 97) = ( 0.4948615 0.6043509 0.2337850), wk = 0.0021413 k( 98) = ( 0.4970683 0.6070461 0.2442260), wk = 0.0021413 k( 99) = ( 0.4992752 0.6097412 0.2546670), wk = 0.0021413 k( 100) = ( 0.5014821 0.6124364 0.2651081), wk = 0.0021413 k( 101) = ( 0.5014821 0.6124364 0.2651081), wk = 0.0021413 k( 102) = ( 0.4965491 0.6064119 0.2728523), wk = 0.0021413 k( 103) = ( 0.4916161 0.6003875 0.2805965), wk = 0.0021413 k( 104) = ( 0.4866831 0.5943631 0.2883407), wk = 0.0021413 k( 105) = ( 0.4817501 0.5883386 0.2960849), wk = 0.0021413 k( 106) = ( 0.4768171 0.5823142 0.3038291), wk = 0.0021413 k( 107) = ( 0.4718841 0.5762898 0.3115733), wk = 0.0021413 k( 108) = ( 0.4669511 0.5702653 0.3193175), wk = 0.0021413 k( 109) = ( 0.4620181 0.5642409 0.3270617), wk = 0.0021413 k( 110) = ( 0.4570851 0.5582165 0.3348059), wk = 0.0021413 k( 111) = ( 0.4521521 0.5521920 0.3425501), wk = 0.0021413 k( 112) = ( 0.4472191 0.5461676 0.3502943), wk = 0.0021413 k( 113) = ( 0.4422861 0.5401432 0.3580385), wk = 0.0021413 k( 114) = ( 0.4373531 0.5341187 0.3657827), wk = 0.0021413 k( 115) = ( 0.4324202 0.5280943 0.3735269), wk = 0.0021413 k( 116) = ( 0.4274872 0.5220699 0.3812711), wk = 0.0021413 k( 117) = ( 0.4225542 0.5160454 0.3890154), wk = 0.0021413 k( 118) = ( 0.4176212 0.5100210 0.3967596), wk = 0.0021413 k( 119) = ( 0.4126882 0.5039966 0.4045038), wk = 0.0021413 k( 120) = ( 0.4077552 0.4979722 0.4122480), wk = 0.0021413 k( 121) = ( 0.4028222 0.4919477 0.4199922), wk = 0.0021413 k( 122) = ( 0.3978892 0.4859233 0.4277364), wk = 0.0021413 k( 123) = ( 0.3929562 0.4798989 0.4354806), wk = 0.0021413 k( 124) = ( 0.3880232 0.4738744 0.4432248), wk = 0.0021413 k( 125) = ( 0.3830902 0.4678500 0.4509690), wk = 0.0021413 k( 126) = ( 0.3781572 0.4618256 0.4587132), wk = 0.0021413 k( 127) = ( 0.3732242 0.4558011 0.4664574), wk = 0.0021413 k( 128) = ( 0.3682912 0.4497767 0.4742016), wk = 0.0021413 k( 129) = ( 0.3633582 0.4437523 0.4819458), wk = 0.0021413 k( 130) = ( 0.3584252 0.4377278 0.4896900), wk = 0.0021413 k( 131) = ( 0.3534923 0.4317034 0.4974342), wk = 0.0021413 k( 132) = ( 0.3485593 0.4256790 0.5051784), wk = 0.0021413 k( 133) = ( 0.3436263 0.4196545 0.5129226), wk = 0.0021413 k( 134) = ( 0.3386933 0.4136301 0.5206668), wk = 0.0021413 k( 135) = ( 0.3337603 0.4076057 0.5284110), wk = 0.0021413 k( 136) = ( 0.3337603 0.4076057 0.5284110), wk = 0.0021413 k( 137) = ( 0.3266590 0.3989332 0.5284110), wk = 0.0021413 k( 138) = ( 0.3195577 0.3902607 0.5284110), wk = 0.0021413 k( 139) = ( 0.3124564 0.3815883 0.5284110), wk = 0.0021413 k( 140) = ( 0.3053552 0.3729158 0.5284110), wk = 0.0021413 k( 141) = ( 0.2982539 0.3642434 0.5284110), wk = 0.0021413 k( 142) = ( 0.2911526 0.3555709 0.5284110), wk = 0.0021413 k( 143) = ( 0.2840513 0.3468984 0.5284110), wk = 0.0021413 k( 144) = ( 0.2769500 0.3382260 0.5284110), wk = 0.0021413 k( 145) = ( 0.2698487 0.3295535 0.5284110), wk = 0.0021413 k( 146) = ( 0.2627474 0.3208811 0.5284110), wk = 0.0021413 k( 147) = ( 0.2556462 0.3122086 0.5284110), wk = 0.0021413 k( 148) = ( 0.2485449 0.3035361 0.5284110), wk = 0.0021413 k( 149) = ( 0.2414436 0.2948637 0.5284110), wk = 0.0021413 k( 150) = ( 0.2343423 0.2861912 0.5284110), wk = 0.0021413 k( 151) = ( 0.2272410 0.2775188 0.5284110), wk = 0.0021413 k( 152) = ( 0.2201398 0.2688463 0.5284110), wk = 0.0021413 k( 153) = ( 0.2130385 0.2601738 0.5284110), wk = 0.0021413 k( 154) = ( 0.2059372 0.2515014 0.5284110), wk = 0.0021413 k( 155) = ( 0.1988359 0.2428289 0.5284110), wk = 0.0021413 k( 156) = ( 0.1917346 0.2341565 0.5284110), wk = 0.0021413 k( 157) = ( 0.1846334 0.2254840 0.5284110), wk = 0.0021413 k( 158) = ( 0.1775321 0.2168115 0.5284110), wk = 0.0021413 k( 159) = ( 0.1704308 0.2081391 0.5284110), wk = 0.0021413 k( 160) = ( 0.1633295 0.1994666 0.5284110), wk = 0.0021413 k( 161) = ( 0.1562282 0.1907942 0.5284110), wk = 0.0021413 k( 162) = ( 0.1491269 0.1821217 0.5284110), wk = 0.0021413 k( 163) = ( 0.1420257 0.1734492 0.5284110), wk = 0.0021413 k( 164) = ( 0.1349244 0.1647768 0.5284110), wk = 0.0021413 k( 165) = ( 0.1278231 0.1561043 0.5284110), wk = 0.0021413 k( 166) = ( 0.1207218 0.1474318 0.5284110), wk = 0.0021413 k( 167) = ( 0.1136205 0.1387594 0.5284110), wk = 0.0021413 k( 168) = ( 0.1065192 0.1300869 0.5284110), wk = 0.0021413 k( 169) = ( 0.0994180 0.1214145 0.5284110), wk = 0.0021413 k( 170) = ( 0.0923167 0.1127420 0.5284110), wk = 0.0021413 k( 171) = ( 0.0852154 0.1040695 0.5284110), wk = 0.0021413 k( 172) = ( 0.0781141 0.0953971 0.5284110), wk = 0.0021413 k( 173) = ( 0.0710128 0.0867246 0.5284110), wk = 0.0021413 k( 174) = ( 0.0639115 0.0780521 0.5284110), wk = 0.0021413 k( 175) = ( 0.0568103 0.0693797 0.5284110), wk = 0.0021413 k( 176) = ( 0.0497090 0.0607072 0.5284110), wk = 0.0021413 k( 177) = ( 0.0426077 0.0520348 0.5284110), wk = 0.0021413 k( 178) = ( 0.0355064 0.0433623 0.5284110), wk = 0.0021413 k( 179) = ( 0.0284051 0.0346898 0.5284110), wk = 0.0021413 k( 180) = ( 0.0213038 0.0260174 0.5284110), wk = 0.0021413 k( 181) = ( 0.0142026 0.0173449 0.5284110), wk = 0.0021413 k( 182) = ( 0.0071013 0.0086725 0.5284110), wk = 0.0021413 k( 183) = ( 0.0000000 0.0000000 0.5284110), wk = 0.0021413 k( 184) = ( 0.0000000 0.0000000 0.5284110), wk = 0.0021413 k( 185) = ( 0.0086207 -0.0070589 0.5284110), wk = 0.0021413 k( 186) = ( 0.0172414 -0.0141178 0.5284110), wk = 0.0021413 k( 187) = ( 0.0258621 -0.0211767 0.5284110), wk = 0.0021413 k( 188) = ( 0.0344828 -0.0282356 0.5284110), wk = 0.0021413 k( 189) = ( 0.0431035 -0.0352945 0.5284110), wk = 0.0021413 k( 190) = ( 0.0517241 -0.0423533 0.5284110), wk = 0.0021413 k( 191) = ( 0.0603448 -0.0494122 0.5284110), wk = 0.0021413 k( 192) = ( 0.0689655 -0.0564711 0.5284110), wk = 0.0021413 k( 193) = ( 0.0775862 -0.0635300 0.5284110), wk = 0.0021413 k( 194) = ( 0.0862069 -0.0705889 0.5284110), wk = 0.0021413 k( 195) = ( 0.0948276 -0.0776478 0.5284110), wk = 0.0021413 k( 196) = ( 0.1034483 -0.0847067 0.5284110), wk = 0.0021413 k( 197) = ( 0.1120690 -0.0917656 0.5284110), wk = 0.0021413 k( 198) = ( 0.1206897 -0.0988245 0.5284110), wk = 0.0021413 k( 199) = ( 0.1293103 -0.1058834 0.5284110), wk = 0.0021413 k( 200) = ( 0.1379310 -0.1129422 0.5284110), wk = 0.0021413 k( 201) = ( 0.1465517 -0.1200011 0.5284110), wk = 0.0021413 k( 202) = ( 0.1551724 -0.1270600 0.5284110), wk = 0.0021413 k( 203) = ( 0.1637931 -0.1341189 0.5284110), wk = 0.0021413 k( 204) = ( 0.1724138 -0.1411778 0.5284110), wk = 0.0021413 k( 205) = ( 0.1810345 -0.1482367 0.5284110), wk = 0.0021413 k( 206) = ( 0.1896552 -0.1552956 0.5284110), wk = 0.0021413 k( 207) = ( 0.1982759 -0.1623545 0.5284110), wk = 0.0021413 k( 208) = ( 0.2068966 -0.1694134 0.5284110), wk = 0.0021413 k( 209) = ( 0.2155172 -0.1764723 0.5284110), wk = 0.0021413 k( 210) = ( 0.2241379 -0.1835311 0.5284110), wk = 0.0021413 k( 211) = ( 0.2327586 -0.1905900 0.5284110), wk = 0.0021413 k( 212) = ( 0.2413793 -0.1976489 0.5284110), wk = 0.0021413 k( 213) = ( 0.2500000 -0.2047078 0.5284110), wk = 0.0021413 k( 214) = ( 0.2586207 -0.2117667 0.5284110), wk = 0.0021413 k( 215) = ( 0.2672414 -0.2188256 0.5284110), wk = 0.0021413 k( 216) = ( 0.2758621 -0.2258845 0.5284110), wk = 0.0021413 k( 217) = ( 0.2844828 -0.2329434 0.5284110), wk = 0.0021413 k( 218) = ( 0.2931034 -0.2400023 0.5284110), wk = 0.0021413 k( 219) = ( 0.3017241 -0.2470612 0.5284110), wk = 0.0021413 k( 220) = ( 0.3103448 -0.2541201 0.5284110), wk = 0.0021413 k( 221) = ( 0.3189655 -0.2611789 0.5284110), wk = 0.0021413 k( 222) = ( 0.3275862 -0.2682378 0.5284110), wk = 0.0021413 k( 223) = ( 0.3362069 -0.2752967 0.5284110), wk = 0.0021413 k( 224) = ( 0.3448276 -0.2823556 0.5284110), wk = 0.0021413 k( 225) = ( 0.3534483 -0.2894145 0.5284110), wk = 0.0021413 k( 226) = ( 0.3620690 -0.2964734 0.5284110), wk = 0.0021413 k( 227) = ( 0.3706897 -0.3035323 0.5284110), wk = 0.0021413 k( 228) = ( 0.3793103 -0.3105912 0.5284110), wk = 0.0021413 k( 229) = ( 0.3879310 -0.3176501 0.5284110), wk = 0.0021413 k( 230) = ( 0.3965517 -0.3247090 0.5284110), wk = 0.0021413 k( 231) = ( 0.4051724 -0.3317678 0.5284110), wk = 0.0021413 k( 232) = ( 0.4137931 -0.3388267 0.5284110), wk = 0.0021413 k( 233) = ( 0.4224138 -0.3458856 0.5284110), wk = 0.0021413 k( 234) = ( 0.4310345 -0.3529445 0.5284110), wk = 0.0021413 k( 235) = ( 0.4396552 -0.3600034 0.5284110), wk = 0.0021413 k( 236) = ( 0.4482759 -0.3670623 0.5284110), wk = 0.0021413 k( 237) = ( 0.4568966 -0.3741212 0.5284110), wk = 0.0021413 k( 238) = ( 0.4655172 -0.3811801 0.5284110), wk = 0.0021413 k( 239) = ( 0.4741379 -0.3882390 0.5284110), wk = 0.0021413 k( 240) = ( 0.4827586 -0.3952979 0.5284110), wk = 0.0021413 k( 241) = ( 0.4913793 -0.4023568 0.5284110), wk = 0.0021413 k( 242) = ( 0.5000000 -0.4094156 0.5284110), wk = 0.0021413 k( 243) = ( 0.5000000 -0.4094156 0.5284110), wk = 0.0021413 k( 244) = ( 0.4985179 -0.4112256 0.5284110), wk = 0.0021413 k( 245) = ( 0.6662397 -0.2063949 0.2651081), wk = 0.0021413 k( 246) = ( 0.6640329 -0.2090901 0.2546670), wk = 0.0021413 k( 247) = ( 0.6618260 -0.2117852 0.2442260), wk = 0.0021413 k( 248) = ( 0.6596191 -0.2144803 0.2337850), wk = 0.0021413 k( 249) = ( 0.6574123 -0.2171755 0.2233439), wk = 0.0021413 k( 250) = ( 0.6552054 -0.2198706 0.2129029), wk = 0.0021413 k( 251) = ( 0.6529985 -0.2225658 0.2024618), wk = 0.0021413 k( 252) = ( 0.6507917 -0.2252609 0.1920208), wk = 0.0021413 k( 253) = ( 0.6485848 -0.2279560 0.1815798), wk = 0.0021413 k( 254) = ( 0.6463779 -0.2306512 0.1711387), wk = 0.0021413 k( 255) = ( 0.6441711 -0.2333463 0.1606977), wk = 0.0021413 k( 256) = ( 0.6419642 -0.2360415 0.1502566), wk = 0.0021413 k( 257) = ( 0.6397573 -0.2387366 0.1398156), wk = 0.0021413 k( 258) = ( 0.6375505 -0.2414317 0.1293746), wk = 0.0021413 k( 259) = ( 0.6353436 -0.2441269 0.1189335), wk = 0.0021413 k( 260) = ( 0.6331367 -0.2468220 0.1084925), wk = 0.0021413 k( 261) = ( 0.6309299 -0.2495172 0.0980514), wk = 0.0021413 k( 262) = ( 0.6287230 -0.2522123 0.0876104), wk = 0.0021413 k( 263) = ( 0.6265161 -0.2549075 0.0771693), wk = 0.0021413 k( 264) = ( 0.6243093 -0.2576026 0.0667283), wk = 0.0021413 k( 265) = ( 0.6221024 -0.2602977 0.0562873), wk = 0.0021413 k( 266) = ( 0.6198955 -0.2629929 0.0458462), wk = 0.0021413 k( 267) = ( 0.6176887 -0.2656880 0.0354052), wk = 0.0021413 k( 268) = ( 0.6154818 -0.2683832 0.0249641), wk = 0.0021413 k( 269) = ( 0.6132749 -0.2710783 0.0145231), wk = 0.0021413 k( 270) = ( 0.6110681 -0.2737734 0.0040821), wk = 0.0021413 k( 271) = ( 0.6088612 -0.2764686 -0.0063590), wk = 0.0021413 k( 272) = ( 0.6066544 -0.2791637 -0.0168000), wk = 0.0021413 k( 273) = ( 0.6044475 -0.2818589 -0.0272411), wk = 0.0021413 k( 274) = ( 0.6022406 -0.2845540 -0.0376821), wk = 0.0021413 k( 275) = ( 0.6000338 -0.2872491 -0.0481231), wk = 0.0021413 k( 276) = ( 0.5978269 -0.2899443 -0.0585642), wk = 0.0021413 k( 277) = ( 0.5956200 -0.2926394 -0.0690052), wk = 0.0021413 k( 278) = ( 0.5934132 -0.2953346 -0.0794463), wk = 0.0021413 k( 279) = ( 0.5912063 -0.2980297 -0.0898873), wk = 0.0021413 k( 280) = ( 0.5889994 -0.3007248 -0.1003284), wk = 0.0021413 k( 281) = ( 0.5867926 -0.3034200 -0.1107694), wk = 0.0021413 k( 282) = ( 0.5845857 -0.3061151 -0.1212104), wk = 0.0021413 k( 283) = ( 0.5823788 -0.3088103 -0.1316515), wk = 0.0021413 k( 284) = ( 0.5823788 -0.3088103 -0.1316515), wk = 0.0021413 k( 285) = ( 0.5775330 -0.3147282 -0.1239073), wk = 0.0021413 k( 286) = ( 0.5726872 -0.3206462 -0.1161631), wk = 0.0021413 k( 287) = ( 0.5678414 -0.3265642 -0.1084189), wk = 0.0021413 k( 288) = ( 0.5629956 -0.3324821 -0.1006747), wk = 0.0021413 k( 289) = ( 0.5581498 -0.3384001 -0.0929304), wk = 0.0021413 k( 290) = ( 0.5533039 -0.3443180 -0.0851862), wk = 0.0021413 k( 291) = ( 0.5484581 -0.3502360 -0.0774420), wk = 0.0021413 k( 292) = ( 0.5436123 -0.3561540 -0.0696978), wk = 0.0021413 k( 293) = ( 0.5387665 -0.3620719 -0.0619536), wk = 0.0021413 k( 294) = ( 0.5339207 -0.3679899 -0.0542094), wk = 0.0021413 k( 295) = ( 0.5290749 -0.3739079 -0.0464652), wk = 0.0021413 k( 296) = ( 0.5242291 -0.3798258 -0.0387210), wk = 0.0021413 k( 297) = ( 0.5193832 -0.3857438 -0.0309768), wk = 0.0021413 k( 298) = ( 0.5145374 -0.3916618 -0.0232326), wk = 0.0021413 k( 299) = ( 0.5096916 -0.3975797 -0.0154884), wk = 0.0021413 k( 300) = ( 0.5048458 -0.4034977 -0.0077442), wk = 0.0021413 k( 301) = ( 0.5000000 -0.4094156 0.0000000), wk = 0.0021413 k( 302) = ( 0.5000000 -0.4094156 0.0000000), wk = 0.0021413 k( 303) = ( 0.4913793 -0.4023568 0.0000000), wk = 0.0021413 k( 304) = ( 0.4827586 -0.3952979 0.0000000), wk = 0.0021413 k( 305) = ( 0.4741379 -0.3882390 0.0000000), wk = 0.0021413 k( 306) = ( 0.4655172 -0.3811801 0.0000000), wk = 0.0021413 k( 307) = ( 0.4568966 -0.3741212 0.0000000), wk = 0.0021413 k( 308) = ( 0.4482759 -0.3670623 0.0000000), wk = 0.0021413 k( 309) = ( 0.4396552 -0.3600034 0.0000000), wk = 0.0021413 k( 310) = ( 0.4310345 -0.3529445 0.0000000), wk = 0.0021413 k( 311) = ( 0.4224138 -0.3458856 0.0000000), wk = 0.0021413 k( 312) = ( 0.4137931 -0.3388267 0.0000000), wk = 0.0021413 k( 313) = ( 0.4051724 -0.3317678 0.0000000), wk = 0.0021413 k( 314) = ( 0.3965517 -0.3247090 0.0000000), wk = 0.0021413 k( 315) = ( 0.3879310 -0.3176501 0.0000000), wk = 0.0021413 k( 316) = ( 0.3793103 -0.3105912 0.0000000), wk = 0.0021413 k( 317) = ( 0.3706897 -0.3035323 0.0000000), wk = 0.0021413 k( 318) = ( 0.3620690 -0.2964734 0.0000000), wk = 0.0021413 k( 319) = ( 0.3534483 -0.2894145 0.0000000), wk = 0.0021413 k( 320) = ( 0.3448276 -0.2823556 0.0000000), wk = 0.0021413 k( 321) = ( 0.3362069 -0.2752967 0.0000000), wk = 0.0021413 k( 322) = ( 0.3275862 -0.2682378 0.0000000), wk = 0.0021413 k( 323) = ( 0.3189655 -0.2611789 0.0000000), wk = 0.0021413 k( 324) = ( 0.3103448 -0.2541201 0.0000000), wk = 0.0021413 k( 325) = ( 0.3017241 -0.2470612 0.0000000), wk = 0.0021413 k( 326) = ( 0.2931034 -0.2400023 0.0000000), wk = 0.0021413 k( 327) = ( 0.2844828 -0.2329434 0.0000000), wk = 0.0021413 k( 328) = ( 0.2758621 -0.2258845 0.0000000), wk = 0.0021413 k( 329) = ( 0.2672414 -0.2188256 0.0000000), wk = 0.0021413 k( 330) = ( 0.2586207 -0.2117667 0.0000000), wk = 0.0021413 k( 331) = ( 0.2500000 -0.2047078 0.0000000), wk = 0.0021413 k( 332) = ( 0.2413793 -0.1976489 0.0000000), wk = 0.0021413 k( 333) = ( 0.2327586 -0.1905900 0.0000000), wk = 0.0021413 k( 334) = ( 0.2241379 -0.1835311 0.0000000), wk = 0.0021413 k( 335) = ( 0.2155172 -0.1764723 0.0000000), wk = 0.0021413 k( 336) = ( 0.2068966 -0.1694134 0.0000000), wk = 0.0021413 k( 337) = ( 0.1982759 -0.1623545 0.0000000), wk = 0.0021413 k( 338) = ( 0.1896552 -0.1552956 0.0000000), wk = 0.0021413 k( 339) = ( 0.1810345 -0.1482367 0.0000000), wk = 0.0021413 k( 340) = ( 0.1724138 -0.1411778 0.0000000), wk = 0.0021413 k( 341) = ( 0.1637931 -0.1341189 0.0000000), wk = 0.0021413 k( 342) = ( 0.1551724 -0.1270600 0.0000000), wk = 0.0021413 k( 343) = ( 0.1465517 -0.1200011 0.0000000), wk = 0.0021413 k( 344) = ( 0.1379310 -0.1129422 0.0000000), wk = 0.0021413 k( 345) = ( 0.1293103 -0.1058834 0.0000000), wk = 0.0021413 k( 346) = ( 0.1206897 -0.0988245 0.0000000), wk = 0.0021413 k( 347) = ( 0.1120690 -0.0917656 0.0000000), wk = 0.0021413 k( 348) = ( 0.1034483 -0.0847067 0.0000000), wk = 0.0021413 k( 349) = ( 0.0948276 -0.0776478 0.0000000), wk = 0.0021413 k( 350) = ( 0.0862069 -0.0705889 0.0000000), wk = 0.0021413 k( 351) = ( 0.0775862 -0.0635300 0.0000000), wk = 0.0021413 k( 352) = ( 0.0689655 -0.0564711 0.0000000), wk = 0.0021413 k( 353) = ( 0.0603448 -0.0494122 0.0000000), wk = 0.0021413 k( 354) = ( 0.0517241 -0.0423533 0.0000000), wk = 0.0021413 k( 355) = ( 0.0431035 -0.0352945 0.0000000), wk = 0.0021413 k( 356) = ( 0.0344828 -0.0282356 0.0000000), wk = 0.0021413 k( 357) = ( 0.0258621 -0.0211767 0.0000000), wk = 0.0021413 k( 358) = ( 0.0172414 -0.0141178 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 0.0042811 -0.0056022), wk = 0.0021413 k( 364) = ( 0.0319149 0.0064216 -0.0084033), wk = 0.0021413 k( 365) = ( 0.0425532 0.0085622 -0.0112044), wk = 0.0021413 k( 366) = ( 0.0531915 0.0107027 -0.0140055), wk = 0.0021413 k( 367) = ( 0.0638298 0.0128432 -0.0168066), wk = 0.0021413 k( 368) = ( 0.0744681 0.0149838 -0.0196077), wk = 0.0021413 k( 369) = ( 0.0851064 0.0171243 -0.0224088), wk = 0.0021413 k( 370) = ( 0.0957447 0.0192649 -0.0252099), wk = 0.0021413 k( 371) = ( 0.1063830 0.0214054 -0.0280110), wk = 0.0021413 k( 372) = ( 0.1170213 0.0235459 -0.0308120), wk = 0.0021413 k( 373) = ( 0.1276596 0.0256865 -0.0336131), wk = 0.0021413 k( 374) = ( 0.1382979 0.0278270 -0.0364142), wk = 0.0021413 k( 375) = ( 0.1489362 0.0299676 -0.0392153), wk = 0.0021413 k( 376) = ( 0.1595745 0.0321081 -0.0420164), wk = 0.0021413 k( 377) = ( 0.1702128 0.0342486 -0.0448175), wk = 0.0021413 k( 378) = ( 0.1808511 0.0363892 -0.0476186), wk = 0.0021413 k( 379) = ( 0.1914894 0.0385297 -0.0504197), wk = 0.0021413 k( 380) = ( 0.2021277 0.0406703 -0.0532208), wk = 0.0021413 k( 381) = ( 0.2127660 0.0428108 -0.0560219), wk = 0.0021413 k( 382) = ( 0.2234043 0.0449513 -0.0588230), wk = 0.0021413 k( 383) = ( 0.2340425 0.0470919 -0.0616241), wk = 0.0021413 k( 384) = ( 0.2446809 0.0492324 -0.0644252), wk = 0.0021413 k( 385) = ( 0.2553191 0.0513730 -0.0672263), wk = 0.0021413 k( 386) = ( 0.2659574 0.0535135 -0.0700274), wk = 0.0021413 k( 387) = ( 0.2765957 0.0556540 -0.0728285), wk = 0.0021413 k( 388) = ( 0.2872340 0.0577946 -0.0756296), wk = 0.0021413 k( 389) = ( 0.2978723 0.0599351 -0.0784307), wk = 0.0021413 k( 390) = ( 0.3085106 0.0620757 -0.0812318), wk = 0.0021413 k( 391) = ( 0.3191489 0.0642162 -0.0840329), wk = 0.0021413 k( 392) = ( 0.3297872 0.0663567 -0.0868340), wk = 0.0021413 k( 393) = ( 0.3404255 0.0684973 -0.0896350), wk = 0.0021413 k( 394) = ( 0.3510638 0.0706378 -0.0924361), wk = 0.0021413 k( 395) = ( 0.3617021 0.0727784 -0.0952372), wk = 0.0021413 k( 396) = ( 0.3723404 0.0749189 -0.0980383), wk = 0.0021413 k( 397) = ( 0.3829787 0.0770594 -0.1008394), wk = 0.0021413 k( 398) = ( 0.3936170 0.0792000 -0.1036405), wk = 0.0021413 k( 399) = ( 0.4042553 0.0813405 -0.1064416), wk = 0.0021413 k( 400) = ( 0.4148936 0.0834811 -0.1092427), wk = 0.0021413 k( 401) = ( 0.4255319 0.0856216 -0.1120438), wk = 0.0021413 k( 402) = ( 0.4361702 0.0877621 -0.1148449), wk = 0.0021413 k( 403) = ( 0.4468085 0.0899027 -0.1176460), wk = 0.0021413 k( 404) = ( 0.4574468 0.0920432 -0.1204471), wk = 0.0021413 k( 405) = ( 0.4680851 0.0941838 -0.1232482), wk = 0.0021413 k( 406) = ( 0.4787234 0.0963243 -0.1260493), wk = 0.0021413 k( 407) = ( 0.4893617 0.0984648 -0.1288504), wk = 0.0021413 k( 408) = ( 0.5000000 0.1006054 -0.1316515), wk = 0.0021413 k( 409) = ( 0.5000000 0.1006054 0.3967596), wk = 0.0021413 k( 410) = ( 0.4913793 0.0988708 0.3899189), wk = 0.0021413 k( 411) = ( 0.4827586 0.0971362 0.3830782), wk = 0.0021413 k( 412) = ( 0.4741379 0.0954017 0.3762375), wk = 0.0021413 k( 413) = ( 0.4655172 0.0936671 0.3693968), wk = 0.0021413 k( 414) = ( 0.4568966 0.0919325 0.3625561), wk = 0.0021413 k( 415) = ( 0.4482759 0.0901979 0.3557155), wk = 0.0021413 k( 416) = ( 0.4396552 0.0884633 0.3488748), wk = 0.0021413 k( 417) = ( 0.4310345 0.0867288 0.3420341), wk = 0.0021413 k( 418) = ( 0.4224138 0.0849942 0.3351934), wk = 0.0021413 k( 419) = ( 0.4137931 0.0832596 0.3283527), wk = 0.0021413 k( 420) = ( 0.4051724 0.0815250 0.3215121), wk = 0.0021413 k( 421) = ( 0.3965517 0.0797905 0.3146714), wk = 0.0021413 k( 422) = ( 0.3879310 0.0780559 0.3078307), wk = 0.0021413 k( 423) = ( 0.3793103 0.0763213 0.3009900), wk = 0.0021413 k( 424) = ( 0.3706897 0.0745867 0.2941493), wk = 0.0021413 k( 425) = ( 0.3620690 0.0728522 0.2873086), wk = 0.0021413 k( 426) = ( 0.3534483 0.0711176 0.2804680), wk = 0.0021413 k( 427) = ( 0.3448276 0.0693830 0.2736273), wk = 0.0021413 k( 428) = ( 0.3362069 0.0676484 0.2667866), wk = 0.0021413 k( 429) = ( 0.3275862 0.0659139 0.2599459), wk = 0.0021413 k( 430) = ( 0.3189655 0.0641793 0.2531052), wk = 0.0021413 k( 431) = ( 0.3103448 0.0624447 0.2462646), wk = 0.0021413 k( 432) = ( 0.3017241 0.0607101 0.2394239), wk = 0.0021413 k( 433) = ( 0.2931034 0.0589756 0.2325832), wk = 0.0021413 k( 434) = ( 0.2844828 0.0572410 0.2257425), wk = 0.0021413 k( 435) = ( 0.2758621 0.0555064 0.2189018), wk = 0.0021413 k( 436) = ( 0.2672414 0.0537718 0.2120611), wk = 0.0021413 k( 437) = ( 0.2586207 0.0520373 0.2052205), wk = 0.0021413 k( 438) = ( 0.2500000 0.0503027 0.1983798), wk = 0.0021413 k( 439) = ( 0.2413793 0.0485681 0.1915391), wk = 0.0021413 k( 440) = ( 0.2327586 0.0468335 0.1846984), wk = 0.0021413 k( 441) = ( 0.2241379 0.0450990 0.1778577), wk = 0.0021413 k( 442) = ( 0.2155172 0.0433644 0.1710170), wk = 0.0021413 k( 443) = ( 0.2068966 0.0416298 0.1641764), wk = 0.0021413 k( 444) = ( 0.1982759 0.0398952 0.1573357), wk = 0.0021413 k( 445) = ( 0.1896552 0.0381607 0.1504950), wk = 0.0021413 k( 446) = ( 0.1810345 0.0364261 0.1436543), wk = 0.0021413 k( 447) = ( 0.1724138 0.0346915 0.1368136), wk = 0.0021413 k( 448) = ( 0.1637931 0.0329569 0.1299730), wk = 0.0021413 k( 449) = ( 0.1551724 0.0312224 0.1231323), wk = 0.0021413 k( 450) = ( 0.1465517 0.0294878 0.1162916), wk = 0.0021413 k( 451) = ( 0.1379310 0.0277532 0.1094509), wk = 0.0021413 k( 452) = ( 0.1293103 0.0260186 0.1026102), wk = 0.0021413 k( 453) = ( 0.1206897 0.0242841 0.0957696), wk = 0.0021413 k( 454) = ( 0.1120690 0.0225495 0.0889289), wk = 0.0021413 k( 455) = ( 0.1034483 0.0208149 0.0820882), wk = 0.0021413 k( 456) = ( 0.0948276 0.0190803 0.0752475), wk = 0.0021413 k( 457) = ( 0.0862069 0.0173458 0.0684068), wk = 0.0021413 k( 458) = ( 0.0775862 0.0156112 0.0615661), wk = 0.0021413 k( 459) = ( 0.0689655 0.0138766 0.0547255), wk = 0.0021413 k( 460) = ( 0.0603448 0.0121420 0.0478848), wk = 0.0021413 k( 461) = ( 0.0517241 0.0104075 0.0410441), wk = 0.0021413 k( 462) = ( 0.0431035 0.0086729 0.0342034), wk = 0.0021413 k( 463) = ( 0.0344828 0.0069383 0.0273627), wk = 0.0021413 k( 464) = ( 0.0258621 0.0052037 0.0205220), wk = 0.0021413 k( 465) = ( 0.0172414 0.0034692 0.0136814), wk = 0.0021413 k( 466) = ( 0.0086207 0.0017346 0.0068407), 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) = ( 0.0069603 0.0069603 0.0013921), wk = 0.0021413 k( 3) = ( 0.0139207 0.0139207 0.0027841), wk = 0.0021413 k( 4) = ( 0.0208811 0.0208811 0.0041762), wk = 0.0021413 k( 5) = ( 0.0278414 0.0278414 0.0055683), wk = 0.0021413 k( 6) = ( 0.0348018 0.0348018 0.0069604), wk = 0.0021413 k( 7) = ( 0.0417621 0.0417621 0.0083524), wk = 0.0021413 k( 8) = ( 0.0487225 0.0487225 0.0097445), wk = 0.0021413 k( 9) = ( 0.0556828 0.0556828 0.0111366), wk = 0.0021413 k( 10) = ( 0.0626432 0.0626432 0.0125286), wk = 0.0021413 k( 11) = ( 0.0696035 0.0696035 0.0139207), wk = 0.0021413 k( 12) = ( 0.0765639 0.0765639 0.0153128), wk = 0.0021413 k( 13) = ( 0.0835242 0.0835242 0.0167049), wk = 0.0021413 k( 14) = ( 0.0904846 0.0904846 0.0180969), wk = 0.0021413 k( 15) = ( 0.0974449 0.0974449 0.0194890), wk = 0.0021413 k( 16) = ( 0.1044053 0.1044053 0.0208811), wk = 0.0021413 k( 17) = ( 0.1113656 0.1113657 0.0222731), wk = 0.0021413 k( 18) = ( 0.1183260 0.1183260 0.0236652), wk = 0.0021413 k( 19) = ( 0.1252863 0.1252863 0.0250573), wk = 0.0021413 k( 20) = ( 0.1322467 0.1322467 0.0264494), wk = 0.0021413 k( 21) = ( 0.1392071 0.1392071 0.0278414), wk = 0.0021413 k( 22) = ( 0.1461674 0.1461674 0.0292335), wk = 0.0021413 k( 23) = ( 0.1531278 0.1531278 0.0306256), wk = 0.0021413 k( 24) = ( 0.1600881 0.1600881 0.0320176), wk = 0.0021413 k( 25) = ( 0.1670485 0.1670485 0.0334097), wk = 0.0021413 k( 26) = ( 0.1740088 0.1740088 0.0348018), wk = 0.0021413 k( 27) = ( 0.1809692 0.1809692 0.0361939), wk = 0.0021413 k( 28) = ( 0.1879295 0.1879295 0.0375859), wk = 0.0021413 k( 29) = ( 0.1948899 0.1948899 0.0389780), wk = 0.0021413 k( 30) = ( 0.2018502 0.2018502 0.0403701), wk = 0.0021413 k( 31) = ( 0.2088106 0.2088106 0.0417621), wk = 0.0021413 k( 32) = ( 0.2157709 0.2157709 0.0431542), wk = 0.0021413 k( 33) = ( 0.2227313 0.2227313 0.0445463), wk = 0.0021413 k( 34) = ( 0.2296916 0.2296916 0.0459384), wk = 0.0021413 k( 35) = ( 0.2366520 0.2366520 0.0473304), wk = 0.0021413 k( 36) = ( 0.2436124 0.2436123 0.0487225), wk = 0.0021413 k( 37) = ( 0.2505727 0.2505727 0.0501146), wk = 0.0021413 k( 38) = ( 0.2575330 0.2575330 0.0515066), wk = 0.0021413 k( 39) = ( 0.2644934 0.2644934 0.0528987), wk = 0.0021413 k( 40) = ( 0.2714538 0.2714538 0.0542908), wk = 0.0021413 k( 41) = ( 0.2784141 0.2784141 0.0556829), wk = 0.0021413 k( 42) = ( 0.2853745 0.2853745 0.0570749), wk = 0.0021413 k( 43) = ( 0.2923348 0.2923348 0.0584670), wk = 0.0021413 k( 44) = ( 0.2992952 0.2992952 0.0598591), wk = 0.0021413 k( 45) = ( 0.3062555 0.3062555 0.0612511), wk = 0.0021413 k( 46) = ( 0.3132159 0.3132159 0.0626432), wk = 0.0021413 k( 47) = ( 0.3201762 0.3201762 0.0640353), wk = 0.0021413 k( 48) = ( 0.3271366 0.3271366 0.0654273), wk = 0.0021413 k( 49) = ( 0.3340969 0.3340969 0.0668194), wk = 0.0021413 k( 50) = ( 0.3410573 0.3410573 0.0682115), wk = 0.0021413 k( 51) = ( 0.3480176 0.3480176 0.0696036), wk = 0.0021413 k( 52) = ( 0.3549780 0.3549780 0.0709956), wk = 0.0021413 k( 53) = ( 0.3619384 0.3619384 0.0723877), wk = 0.0021413 k( 54) = ( 0.3688987 0.3688987 0.0737798), wk = 0.0021413 k( 55) = ( 0.3758590 0.3758590 0.0751719), wk = 0.0021413 k( 56) = ( 0.3828194 0.3828194 0.0765639), wk = 0.0021413 k( 57) = ( 0.3897798 0.3897798 0.0779560), wk = 0.0021413 k( 58) = ( 0.3967401 0.3967401 0.0793481), wk = 0.0021413 k( 59) = ( 0.4037005 0.4037005 0.0807401), wk = 0.0021413 k( 60) = ( 0.4106608 0.4106608 0.0821322), wk = 0.0021413 k( 61) = ( 0.4176212 0.4176212 0.0835243), wk = 0.0021413 k( 62) = ( 0.4176212 0.4176212 0.0835243), wk = 0.0021413 k( 63) = ( 0.4198280 0.4198280 0.0945036), wk = 0.0021413 k( 64) = ( 0.4220349 0.4220349 0.1054829), wk = 0.0021413 k( 65) = ( 0.4242418 0.4242418 0.1164622), wk = 0.0021413 k( 66) = ( 0.4264486 0.4264486 0.1274416), wk = 0.0021413 k( 67) = ( 0.4286555 0.4286555 0.1384209), wk = 0.0021413 k( 68) = ( 0.4308624 0.4308624 0.1494002), wk = 0.0021413 k( 69) = ( 0.4330692 0.4330692 0.1603795), wk = 0.0021413 k( 70) = ( 0.4352761 0.4352761 0.1713589), wk = 0.0021413 k( 71) = ( 0.4374830 0.4374830 0.1823382), wk = 0.0021413 k( 72) = ( 0.4396898 0.4396898 0.1933175), wk = 0.0021413 k( 73) = ( 0.4418967 0.4418967 0.2042968), wk = 0.0021413 k( 74) = ( 0.4441036 0.4441036 0.2152761), wk = 0.0021413 k( 75) = ( 0.4463104 0.4463104 0.2262555), wk = 0.0021413 k( 76) = ( 0.4485173 0.4485173 0.2372348), wk = 0.0021413 k( 77) = ( 0.4507241 0.4507241 0.2482141), wk = 0.0021413 k( 78) = ( 0.4529310 0.4529310 0.2591934), wk = 0.0021413 k( 79) = ( 0.4551379 0.4551379 0.2701727), wk = 0.0021413 k( 80) = ( 0.4573448 0.4573448 0.2811521), wk = 0.0021413 k( 81) = ( 0.4595516 0.4595516 0.2921314), wk = 0.0021413 k( 82) = ( 0.4617585 0.4617585 0.3031107), wk = 0.0021413 k( 83) = ( 0.4639653 0.4639654 0.3140900), wk = 0.0021413 k( 84) = ( 0.4661722 0.4661722 0.3250694), wk = 0.0021413 k( 85) = ( 0.4683791 0.4683791 0.3360487), wk = 0.0021413 k( 86) = ( 0.4705859 0.4705859 0.3470280), wk = 0.0021413 k( 87) = ( 0.4727928 0.4727928 0.3580073), wk = 0.0021413 k( 88) = ( 0.4749997 0.4749997 0.3689866), wk = 0.0021413 k( 89) = ( 0.4772065 0.4772065 0.3799660), wk = 0.0021413 k( 90) = ( 0.4794134 0.4794134 0.3909453), wk = 0.0021413 k( 91) = ( 0.4816203 0.4816203 0.4019246), wk = 0.0021413 k( 92) = ( 0.4838271 0.4838271 0.4129039), wk = 0.0021413 k( 93) = ( 0.4860340 0.4860340 0.4238833), wk = 0.0021413 k( 94) = ( 0.4882409 0.4882409 0.4348626), wk = 0.0021413 k( 95) = ( 0.4904477 0.4904477 0.4458419), wk = 0.0021413 k( 96) = ( 0.4926546 0.4926546 0.4568212), wk = 0.0021413 k( 97) = ( 0.4948615 0.4948615 0.4678005), wk = 0.0021413 k( 98) = ( 0.4970683 0.4970683 0.4787799), wk = 0.0021413 k( 99) = ( 0.4992752 0.4992752 0.4897592), wk = 0.0021413 k( 100) = ( 0.5014821 0.5014821 0.5007385), wk = 0.0021413 k( 101) = ( 0.5014821 0.5014821 0.5007385), wk = 0.0021413 k( 102) = ( 0.4965491 0.4965491 0.5056082), wk = 0.0021413 k( 103) = ( 0.4916161 0.4916161 0.5104780), wk = 0.0021413 k( 104) = ( 0.4866831 0.4866831 0.5153477), wk = 0.0021413 k( 105) = ( 0.4817501 0.4817501 0.5202175), wk = 0.0021413 k( 106) = ( 0.4768171 0.4768171 0.5250873), wk = 0.0021413 k( 107) = ( 0.4718841 0.4718841 0.5299570), wk = 0.0021413 k( 108) = ( 0.4669511 0.4669511 0.5348268), wk = 0.0021413 k( 109) = ( 0.4620181 0.4620181 0.5396965), wk = 0.0021413 k( 110) = ( 0.4570851 0.4570851 0.5445663), wk = 0.0021413 k( 111) = ( 0.4521521 0.4521521 0.5494360), wk = 0.0021413 k( 112) = ( 0.4472191 0.4472191 0.5543058), wk = 0.0021413 k( 113) = ( 0.4422861 0.4422861 0.5591755), wk = 0.0021413 k( 114) = ( 0.4373531 0.4373531 0.5640453), wk = 0.0021413 k( 115) = ( 0.4324202 0.4324202 0.5689150), wk = 0.0021413 k( 116) = ( 0.4274872 0.4274872 0.5737848), wk = 0.0021413 k( 117) = ( 0.4225542 0.4225542 0.5786545), wk = 0.0021413 k( 118) = ( 0.4176212 0.4176212 0.5835243), wk = 0.0021413 k( 119) = ( 0.4126882 0.4126882 0.5883940), wk = 0.0021413 k( 120) = ( 0.4077552 0.4077552 0.5932638), wk = 0.0021413 k( 121) = ( 0.4028222 0.4028222 0.5981335), wk = 0.0021413 k( 122) = ( 0.3978892 0.3978892 0.6030033), wk = 0.0021413 k( 123) = ( 0.3929562 0.3929562 0.6078730), wk = 0.0021413 k( 124) = ( 0.3880232 0.3880232 0.6127428), wk = 0.0021413 k( 125) = ( 0.3830902 0.3830902 0.6176125), wk = 0.0021413 k( 126) = ( 0.3781572 0.3781572 0.6224823), wk = 0.0021413 k( 127) = ( 0.3732242 0.3732242 0.6273520), wk = 0.0021413 k( 128) = ( 0.3682912 0.3682912 0.6322218), wk = 0.0021413 k( 129) = ( 0.3633582 0.3633582 0.6370915), wk = 0.0021413 k( 130) = ( 0.3584252 0.3584252 0.6419613), wk = 0.0021413 k( 131) = ( 0.3534923 0.3534923 0.6468310), wk = 0.0021413 k( 132) = ( 0.3485593 0.3485593 0.6517008), wk = 0.0021413 k( 133) = ( 0.3436263 0.3436263 0.6565705), wk = 0.0021413 k( 134) = ( 0.3386933 0.3386933 0.6614403), wk = 0.0021413 k( 135) = ( 0.3337603 0.3337603 0.6663100), wk = 0.0021413 k( 136) = ( 0.3337603 0.3337603 0.6663100), wk = 0.0021413 k( 137) = ( 0.3266590 0.3266590 0.6627715), wk = 0.0021413 k( 138) = ( 0.3195577 0.3195577 0.6592330), wk = 0.0021413 k( 139) = ( 0.3124564 0.3124564 0.6556945), wk = 0.0021413 k( 140) = ( 0.3053552 0.3053552 0.6521560), wk = 0.0021413 k( 141) = ( 0.2982539 0.2982539 0.6486175), wk = 0.0021413 k( 142) = ( 0.2911526 0.2911526 0.6450790), wk = 0.0021413 k( 143) = ( 0.2840513 0.2840513 0.6415405), wk = 0.0021413 k( 144) = ( 0.2769500 0.2769500 0.6380020), wk = 0.0021413 k( 145) = ( 0.2698487 0.2698487 0.6344635), wk = 0.0021413 k( 146) = ( 0.2627474 0.2627474 0.6309249), wk = 0.0021413 k( 147) = ( 0.2556462 0.2556462 0.6273864), wk = 0.0021413 k( 148) = ( 0.2485449 0.2485449 0.6238479), wk = 0.0021413 k( 149) = ( 0.2414436 0.2414436 0.6203094), wk = 0.0021413 k( 150) = ( 0.2343423 0.2343423 0.6167709), wk = 0.0021413 k( 151) = ( 0.2272410 0.2272410 0.6132324), wk = 0.0021413 k( 152) = ( 0.2201398 0.2201398 0.6096939), wk = 0.0021413 k( 153) = ( 0.2130385 0.2130385 0.6061553), wk = 0.0021413 k( 154) = ( 0.2059372 0.2059372 0.6026168), wk = 0.0021413 k( 155) = ( 0.1988359 0.1988359 0.5990783), wk = 0.0021413 k( 156) = ( 0.1917346 0.1917346 0.5955398), wk = 0.0021413 k( 157) = ( 0.1846334 0.1846334 0.5920013), wk = 0.0021413 k( 158) = ( 0.1775321 0.1775321 0.5884628), wk = 0.0021413 k( 159) = ( 0.1704308 0.1704308 0.5849243), wk = 0.0021413 k( 160) = ( 0.1633295 0.1633295 0.5813858), wk = 0.0021413 k( 161) = ( 0.1562282 0.1562282 0.5778473), wk = 0.0021413 k( 162) = ( 0.1491269 0.1491269 0.5743088), wk = 0.0021413 k( 163) = ( 0.1420257 0.1420257 0.5707702), wk = 0.0021413 k( 164) = ( 0.1349244 0.1349244 0.5672317), wk = 0.0021413 k( 165) = ( 0.1278231 0.1278231 0.5636932), wk = 0.0021413 k( 166) = ( 0.1207218 0.1207218 0.5601547), wk = 0.0021413 k( 167) = ( 0.1136205 0.1136205 0.5566162), wk = 0.0021413 k( 168) = ( 0.1065192 0.1065192 0.5530777), wk = 0.0021413 k( 169) = ( 0.0994180 0.0994180 0.5495392), wk = 0.0021413 k( 170) = ( 0.0923167 0.0923167 0.5460006), wk = 0.0021413 k( 171) = ( 0.0852154 0.0852154 0.5424621), wk = 0.0021413 k( 172) = ( 0.0781141 0.0781141 0.5389236), wk = 0.0021413 k( 173) = ( 0.0710128 0.0710128 0.5353851), wk = 0.0021413 k( 174) = ( 0.0639115 0.0639115 0.5318466), wk = 0.0021413 k( 175) = ( 0.0568103 0.0568103 0.5283081), wk = 0.0021413 k( 176) = ( 0.0497090 0.0497090 0.5247696), wk = 0.0021413 k( 177) = ( 0.0426077 0.0426077 0.5212311), wk = 0.0021413 k( 178) = ( 0.0355064 0.0355064 0.5176926), wk = 0.0021413 k( 179) = ( 0.0284051 0.0284051 0.5141540), wk = 0.0021413 k( 180) = ( 0.0213038 0.0213038 0.5106155), wk = 0.0021413 k( 181) = ( 0.0142026 0.0142026 0.5070770), wk = 0.0021413 k( 182) = ( 0.0071013 0.0071013 0.5035385), 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 -0.4568966 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) = ( 0.4985179 -0.5014821 0.4992615), wk = 0.0021413 k( 245) = ( 0.6662397 -0.3337603 0.3336900), wk = 0.0021413 k( 246) = ( 0.6640329 -0.3359671 0.3227106), wk = 0.0021413 k( 247) = ( 0.6618260 -0.3381740 0.3117313), wk = 0.0021413 k( 248) = ( 0.6596191 -0.3403809 0.3007520), wk = 0.0021413 k( 249) = ( 0.6574123 -0.3425877 0.2897727), wk = 0.0021413 k( 250) = ( 0.6552054 -0.3447946 0.2787933), wk = 0.0021413 k( 251) = ( 0.6529985 -0.3470015 0.2678140), wk = 0.0021413 k( 252) = ( 0.6507917 -0.3492083 0.2568347), wk = 0.0021413 k( 253) = ( 0.6485848 -0.3514152 0.2458554), wk = 0.0021413 k( 254) = ( 0.6463779 -0.3536221 0.2348761), wk = 0.0021413 k( 255) = ( 0.6441711 -0.3558289 0.2238967), wk = 0.0021413 k( 256) = ( 0.6419642 -0.3580358 0.2129174), wk = 0.0021413 k( 257) = ( 0.6397573 -0.3602427 0.2019381), wk = 0.0021413 k( 258) = ( 0.6375505 -0.3624495 0.1909588), wk = 0.0021413 k( 259) = ( 0.6353436 -0.3646564 0.1799795), wk = 0.0021413 k( 260) = ( 0.6331367 -0.3668633 0.1690001), wk = 0.0021413 k( 261) = ( 0.6309299 -0.3690701 0.1580208), wk = 0.0021413 k( 262) = ( 0.6287230 -0.3712770 0.1470415), wk = 0.0021413 k( 263) = ( 0.6265161 -0.3734839 0.1360622), wk = 0.0021413 k( 264) = ( 0.6243093 -0.3756907 0.1250828), wk = 0.0021413 k( 265) = ( 0.6221024 -0.3778976 0.1141035), wk = 0.0021413 k( 266) = ( 0.6198955 -0.3801045 0.1031242), wk = 0.0021413 k( 267) = ( 0.6176887 -0.3823113 0.0921449), wk = 0.0021413 k( 268) = ( 0.6154818 -0.3845182 0.0811656), wk = 0.0021413 k( 269) = ( 0.6132749 -0.3867251 0.0701862), wk = 0.0021413 k( 270) = ( 0.6110681 -0.3889319 0.0592069), wk = 0.0021413 k( 271) = ( 0.6088612 -0.3911388 0.0482276), wk = 0.0021413 k( 272) = ( 0.6066544 -0.3933456 0.0372483), wk = 0.0021413 k( 273) = ( 0.6044475 -0.3955525 0.0262689), wk = 0.0021413 k( 274) = ( 0.6022406 -0.3977594 0.0152896), wk = 0.0021413 k( 275) = ( 0.6000338 -0.3999662 0.0043103), wk = 0.0021413 k( 276) = ( 0.5978269 -0.4021731 -0.0066690), wk = 0.0021413 k( 277) = ( 0.5956200 -0.4043800 -0.0176483), wk = 0.0021413 k( 278) = ( 0.5934132 -0.4065868 -0.0286277), wk = 0.0021413 k( 279) = ( 0.5912063 -0.4087937 -0.0396070), wk = 0.0021413 k( 280) = ( 0.5889994 -0.4110006 -0.0505863), wk = 0.0021413 k( 281) = ( 0.5867926 -0.4132074 -0.0615656), wk = 0.0021413 k( 282) = ( 0.5845857 -0.4154143 -0.0725449), wk = 0.0021413 k( 283) = ( 0.5823788 -0.4176212 -0.0835243), wk = 0.0021413 k( 284) = ( 0.5823788 -0.4176212 -0.0835243), wk = 0.0021413 k( 285) = ( 0.5775330 -0.4224670 -0.0786111), wk = 0.0021413 k( 286) = ( 0.5726872 -0.4273128 -0.0736979), wk = 0.0021413 k( 287) = ( 0.5678414 -0.4321586 -0.0687847), wk = 0.0021413 k( 288) = ( 0.5629956 -0.4370044 -0.0638715), wk = 0.0021413 k( 289) = ( 0.5581498 -0.4418502 -0.0589583), wk = 0.0021413 k( 290) = ( 0.5533039 -0.4466961 -0.0540451), wk = 0.0021413 k( 291) = ( 0.5484581 -0.4515419 -0.0491319), wk = 0.0021413 k( 292) = ( 0.5436123 -0.4563877 -0.0442187), wk = 0.0021413 k( 293) = ( 0.5387665 -0.4612335 -0.0393055), wk = 0.0021413 k( 294) = ( 0.5339207 -0.4660793 -0.0343923), wk = 0.0021413 k( 295) = ( 0.5290749 -0.4709251 -0.0294792), wk = 0.0021413 k( 296) = ( 0.5242291 -0.4757709 -0.0245660), wk = 0.0021413 k( 297) = ( 0.5193832 -0.4806167 -0.0196528), wk = 0.0021413 k( 298) = ( 0.5145374 -0.4854626 -0.0147396), wk = 0.0021413 k( 299) = ( 0.5096916 -0.4903084 -0.0098264), wk = 0.0021413 k( 300) = ( 0.5048458 -0.4951542 -0.0049132), 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 -0.4568966 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: 39389 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 0.03 Mb ( 62, 32) NL pseudopotentials 0.03 Mb ( 31, 62) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 822) G-vector shells 0.01 Mb ( 790) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 62, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) 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 46.2 secs Computing kpt #: 2 total cpu time spent up to now is 46.9 secs Computing kpt #: 3 total cpu time spent up to now is 47.7 secs Computing kpt #: 4 total cpu time spent up to now is 48.4 secs Computing kpt #: 5 total cpu time spent up to now is 49.3 secs Computing kpt #: 6 total cpu time spent up to now is 50.1 secs Computing kpt #: 7 total cpu time spent up to now is 50.8 secs Computing kpt #: 8 total cpu time spent up to now is 51.5 secs Computing kpt #: 9 total cpu time spent up to now is 52.2 secs Computing kpt #: 10 total cpu time spent up to now is 52.9 secs Computing kpt #: 11 total cpu time spent up to now is 53.6 secs Computing kpt #: 12 total cpu time spent up to now is 54.3 secs Computing kpt #: 13 total cpu time spent up to now is 55.0 secs Computing kpt #: 14 total cpu time spent up to now is 55.7 secs Computing kpt #: 15 total cpu time spent up to now is 56.3 secs Computing kpt #: 16 total cpu time spent up to now is 57.0 secs Computing kpt #: 17 total cpu time spent up to now is 57.7 secs Computing kpt #: 18 total cpu time spent up to now is 58.4 secs Computing kpt #: 19 total cpu time spent up to now is 59.2 secs Computing kpt #: 20 total cpu time spent up to now is 59.9 secs Computing kpt #: 21 total cpu time spent up to now is 60.7 secs Computing kpt #: 22 total cpu time spent up to now is 61.4 secs Computing kpt #: 23 total cpu time spent up to now is 62.1 secs Computing kpt #: 24 total cpu time spent up to now is 63.0 secs Computing kpt #: 25 total cpu time spent up to now is 63.7 secs Computing kpt #: 26 total cpu time spent up to now is 64.5 secs Computing kpt #: 27 total cpu time spent up to now is 65.2 secs Computing kpt #: 28 total cpu time spent up to now is 65.9 secs Computing kpt #: 29 total cpu time spent up to now is 66.6 secs Computing kpt #: 30 total cpu time spent up to now is 67.4 secs Computing kpt #: 31 total cpu time spent up to now is 68.1 secs Computing kpt #: 32 total cpu time spent up to now is 68.8 secs Computing kpt #: 33 total cpu time spent up to now is 69.5 secs Computing kpt #: 34 total cpu time spent up to now is 70.2 secs Computing kpt #: 35 total cpu time spent up to now is 70.9 secs Computing kpt #: 36 total cpu time spent up to now is 71.7 secs Computing kpt #: 37 total cpu time spent up to now is 72.5 secs Computing kpt #: 38 total cpu time spent up to now is 73.2 secs Computing kpt #: 39 total cpu time spent up to now is 73.9 secs Computing kpt #: 40 total cpu time spent up to now is 74.6 secs Computing kpt #: 41 total cpu time spent up to now is 75.3 secs Computing kpt #: 42 total cpu time spent up to now is 76.4 secs Computing kpt #: 43 total cpu time spent up to now is 78.5 secs Computing kpt #: 44 total cpu time spent up to now is 80.0 secs Computing kpt #: 45 total cpu time spent up to now is 82.5 secs Computing kpt #: 46 total cpu time spent up to now is 83.2 secs Computing kpt #: 47 total cpu time spent up to now is 84.0 secs Computing kpt #: 48 total cpu time spent up to now is 84.7 secs Computing kpt #: 49 total cpu time spent up to now is 85.5 secs Computing kpt #: 50 total cpu time spent up to now is 86.2 secs Computing kpt #: 51 total cpu time spent up to now is 86.9 secs Computing kpt #: 52 total cpu time spent up to now is 87.5 secs Computing kpt #: 53 total cpu time spent up to now is 88.6 secs Computing kpt #: 54 total cpu time spent up to now is 89.5 secs Computing kpt #: 55 total cpu time spent up to now is 90.5 secs Computing kpt #: 56 total cpu time spent up to now is 92.2 secs Computing kpt #: 57 total cpu time spent up to now is 93.9 secs Computing kpt #: 58 total cpu time spent up to now is 95.4 secs Computing kpt #: 59 total cpu time spent up to now is 96.4 secs Computing kpt #: 60 total cpu time spent up to now is 97.2 secs Computing kpt #: 61 total cpu time spent up to now is 98.2 secs Computing kpt #: 62 total cpu time spent up to now is 99.0 secs Computing kpt #: 63 total cpu time spent up to now is 99.7 secs Computing kpt #: 64 total cpu time spent up to now is 100.5 secs Computing kpt #: 65 total cpu time spent up to now is 101.2 secs Computing kpt #: 66 total cpu time spent up to now is 101.9 secs Computing kpt #: 67 total cpu time spent up to now is 102.6 secs Computing kpt #: 68 total cpu time spent up to now is 103.3 secs Computing kpt #: 69 total cpu time spent up to now is 104.0 secs Computing kpt #: 70 total cpu time spent up to now is 104.8 secs Computing kpt #: 71 total cpu time spent up to now is 105.6 secs Computing kpt #: 72 total cpu time spent up to now is 106.3 secs Computing kpt #: 73 total cpu time spent up to now is 107.0 secs Computing kpt #: 74 total cpu time spent up to now is 107.7 secs Computing kpt #: 75 total cpu time spent up to now is 108.4 secs Computing kpt #: 76 total cpu time spent up to now is 109.3 secs Computing kpt #: 77 total cpu time spent up to now is 110.0 secs Computing kpt #: 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up to now is 121.5 secs Computing kpt #: 94 total cpu time spent up to now is 122.5 secs Computing kpt #: 95 total cpu time spent up to now is 123.3 secs Computing kpt #: 96 total cpu time spent up to now is 124.0 secs Computing kpt #: 97 total cpu time spent up to now is 124.8 secs Computing kpt #: 98 total cpu time spent up to now is 126.0 secs Computing kpt #: 99 total cpu time spent up to now is 127.7 secs Computing kpt #: 100 total cpu time spent up to now is 128.4 secs Computing kpt #: 101 total cpu time spent up to now is 129.0 secs Computing kpt #: 102 total cpu time spent up to now is 130.1 secs Computing kpt #: 103 total cpu time spent up to now is 131.7 secs Computing kpt #: 104 total cpu time spent up to now is 133.9 secs Computing kpt #: 105 total cpu time spent up to now is 137.9 secs Computing kpt #: 106 total cpu time spent up to now is 139.0 secs Computing kpt #: 107 total cpu time spent up to now is 139.7 secs Computing kpt #: 108 total cpu time spent up to now is 140.6 secs Computing kpt #: 109 total cpu time spent up to now is 141.8 secs Computing kpt #: 110 total cpu time spent up to now is 142.6 secs Computing kpt #: 111 total cpu time spent up to now is 143.6 secs Computing kpt #: 112 total cpu time spent up to now is 144.4 secs Computing kpt #: 113 total cpu time spent up to now is 145.1 secs Computing kpt #: 114 total cpu time spent up to now is 145.9 secs Computing kpt #: 115 total cpu time spent up to now is 146.6 secs Computing kpt #: 116 total cpu time spent up to now is 147.2 secs Computing kpt #: 117 total cpu time spent up to now is 148.0 secs Computing kpt #: 118 total cpu time spent up to now is 148.8 secs Computing kpt #: 119 total cpu time spent up to now is 149.5 secs Computing kpt #: 120 total cpu time spent up to now is 150.2 secs Computing kpt #: 121 total cpu time spent up to now is 151.0 secs Computing kpt #: 122 total cpu time spent up to now is 151.8 secs Computing kpt #: 123 total cpu time spent up to now is 152.5 secs Computing kpt #: 124 total cpu time spent up to now is 153.3 secs Computing kpt #: 125 total cpu time spent up to now is 154.2 secs Computing kpt #: 126 total cpu time spent up to now is 154.8 secs Computing kpt #: 127 total cpu time spent up to now is 155.5 secs Computing kpt #: 128 total cpu time spent up to now is 156.1 secs Computing kpt #: 129 total cpu time spent up to now is 156.8 secs Computing kpt #: 130 total cpu time spent up to now is 157.7 secs Computing kpt #: 131 total cpu time spent up to now is 158.4 secs Computing kpt #: 132 total cpu time spent up to now is 159.1 secs Computing kpt #: 133 total cpu time spent up to now is 160.0 secs Computing kpt #: 134 total cpu time spent up to now is 160.7 secs Computing kpt #: 135 total cpu time spent up to now is 161.3 secs Computing kpt #: 136 total cpu time spent up to now is 162.0 secs Computing kpt #: 137 total cpu time spent up to now is 162.8 secs Computing kpt #: 138 total cpu time spent up to now is 163.5 secs Computing 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total cpu time spent up to now is 181.2 secs Computing kpt #: 155 total cpu time spent up to now is 181.9 secs Computing kpt #: 156 total cpu time spent up to now is 182.7 secs Computing kpt #: 157 total cpu time spent up to now is 185.4 secs Computing kpt #: 158 total cpu time spent up to now is 186.1 secs Computing kpt #: 159 total cpu time spent up to now is 188.2 secs Computing kpt #: 160 total cpu time spent up to now is 189.0 secs Computing kpt #: 161 total cpu time spent up to now is 189.9 secs Computing kpt #: 162 total cpu time spent up to now is 190.6 secs Computing kpt #: 163 total cpu time spent up to now is 191.4 secs Computing kpt #: 164 total cpu time spent up to now is 192.2 secs Computing kpt #: 165 total cpu time spent up to now is 192.9 secs Computing kpt #: 166 total cpu time spent up to now is 193.5 secs Computing kpt #: 167 total cpu time spent up to now is 194.2 secs Computing kpt #: 168 total cpu time spent up to now is 194.9 secs Computing kpt #: 169 total cpu 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is 219.9 secs Computing kpt #: 200 total cpu time spent up to now is 221.6 secs Computing kpt #: 201 total cpu time spent up to now is 223.2 secs Computing kpt #: 202 total cpu time spent up to now is 224.3 secs Computing kpt #: 203 total cpu time spent up to now is 225.3 secs Computing kpt #: 204 total cpu time spent up to now is 227.2 secs Computing kpt #: 205 total cpu time spent up to now is 227.9 secs Computing kpt #: 206 total cpu time spent up to now is 231.2 secs Computing kpt #: 207 total cpu time spent up to now is 231.9 secs Computing kpt #: 208 total cpu time spent up to now is 232.6 secs Computing kpt #: 209 total cpu time spent up to now is 233.4 secs Computing kpt #: 210 total cpu time spent up to now is 234.3 secs Computing kpt #: 211 total cpu time spent up to now is 235.0 secs Computing kpt #: 212 total cpu time spent up to now is 235.7 secs Computing kpt #: 213 total cpu time spent up to now is 236.4 secs Computing kpt #: 214 total cpu time spent up to now is 237.0 secs Computing kpt #: 215 total cpu time spent up to now is 237.7 secs Computing kpt #: 216 total cpu time spent up to now is 238.6 secs Computing kpt #: 217 total cpu time spent up to now is 239.4 secs Computing kpt #: 218 total cpu time spent up to now is 240.1 secs Computing kpt #: 219 total cpu time spent up to now is 240.7 secs Computing kpt #: 220 total cpu time spent up to now is 241.5 secs Computing kpt #: 221 total cpu time spent up to now is 242.3 secs Computing kpt #: 222 total cpu time spent up to now is 243.1 secs Computing kpt #: 223 total cpu time spent up to now is 243.8 secs Computing kpt #: 224 total cpu time spent up to now is 244.4 secs Computing kpt #: 225 total cpu time spent up to now is 245.1 secs Computing kpt #: 226 total cpu time spent up to now is 245.8 secs Computing kpt #: 227 total cpu time spent up to now is 246.4 secs Computing kpt #: 228 total cpu time spent up to now is 247.2 secs Computing kpt #: 229 total cpu time spent up to now is 247.9 secs Computing kpt #: 230 total cpu time spent up to now is 248.6 secs Computing kpt #: 231 total cpu time spent up to now is 249.3 secs Computing kpt #: 232 total cpu time spent up to now is 249.9 secs Computing kpt #: 233 total cpu time spent up to now is 250.5 secs Computing kpt #: 234 total cpu time spent up to now is 251.2 secs Computing kpt #: 235 total cpu time spent up to now is 251.8 secs Computing kpt #: 236 total cpu time spent up to now is 252.5 secs Computing kpt #: 237 total cpu time spent up to now is 253.2 secs Computing kpt #: 238 total cpu time spent up to now is 254.0 secs Computing kpt #: 239 total cpu time spent up to now is 254.7 secs Computing kpt #: 240 total cpu time spent up to now is 255.8 secs Computing kpt #: 241 total cpu time spent up to now is 257.3 secs Computing kpt #: 242 total cpu time spent up to now is 259.1 secs Computing kpt #: 243 total cpu time spent up to now is 260.8 secs Computing kpt #: 244 total cpu time spent up to now is 261.4 secs Computing kpt #: 245 total cpu time spent up to now is 262.1 secs Computing kpt #: 246 total cpu time spent up to now is 263.1 secs Computing kpt #: 247 total cpu time spent up to now is 264.4 secs Computing kpt #: 248 total cpu time spent up to now is 265.9 secs Computing kpt #: 249 total cpu time spent up to now is 268.5 secs Computing kpt #: 250 total cpu time spent up to now is 270.5 secs Computing kpt #: 251 total cpu time spent up to now is 272.4 secs Computing kpt #: 252 total cpu time spent up to now is 273.6 secs Computing kpt #: 253 total cpu time spent up to now is 275.3 secs Computing kpt #: 254 total cpu time spent up to now is 277.1 secs Computing kpt #: 255 total cpu time spent up to now is 278.5 secs Computing kpt #: 256 total cpu time spent up to now is 279.2 secs Computing kpt #: 257 total cpu time spent up to now is 280.0 secs Computing kpt #: 258 total cpu time spent up to now is 280.8 secs Computing kpt #: 259 total cpu time spent up to now is 281.6 secs Computing kpt #: 260 total cpu time spent up to now is 282.3 secs Computing kpt #: 261 total cpu time spent up to now is 283.0 secs Computing kpt #: 262 total cpu time spent up to now is 283.8 secs Computing kpt #: 263 total cpu time spent up to now is 284.5 secs Computing kpt #: 264 total cpu time spent up to now is 285.2 secs Computing kpt #: 265 total cpu time spent up to now is 286.0 secs Computing kpt #: 266 total cpu time spent up to now is 286.7 secs Computing kpt #: 267 total cpu time spent up to now is 287.4 secs Computing kpt #: 268 total cpu time spent up to now is 288.1 secs Computing kpt #: 269 total cpu time spent up to now is 288.9 secs Computing kpt #: 270 total cpu time spent up to now is 289.7 secs Computing kpt #: 271 total cpu time spent up to now is 290.4 secs Computing kpt #: 272 total cpu time spent up to now is 291.1 secs Computing kpt #: 273 total cpu time spent up to now is 291.8 secs Computing kpt #: 274 total cpu time spent up to now is 292.6 secs Computing kpt #: 275 total cpu 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up to now is 307.1 secs Computing kpt #: 291 total cpu time spent up to now is 307.8 secs Computing kpt #: 292 total cpu time spent up to now is 308.5 secs Computing kpt #: 293 total cpu time spent up to now is 309.6 secs Computing kpt #: 294 total cpu time spent up to now is 312.4 secs Computing kpt #: 295 total cpu time spent up to now is 313.1 secs Computing kpt #: 296 total cpu time spent up to now is 313.9 secs Computing kpt #: 297 total cpu time spent up to now is 314.7 secs Computing kpt #: 298 total cpu time spent up to now is 318.0 secs Computing kpt #: 299 total cpu time spent up to now is 320.8 secs Computing kpt #: 300 total cpu time spent up to now is 321.5 secs Computing kpt #: 301 total cpu time spent up to now is 322.2 secs Computing kpt #: 302 total cpu time spent up to now is 322.8 secs Computing kpt #: 303 total cpu time spent up to now is 323.4 secs Computing kpt #: 304 total cpu time spent up to now is 324.1 secs Computing kpt #: 305 total cpu time spent up to now is 324.8 secs Computing kpt #: 306 total cpu time spent up to now is 325.6 secs Computing kpt #: 307 total cpu time spent up to now is 326.3 secs Computing kpt #: 308 total cpu time spent up to now is 327.0 secs Computing kpt #: 309 total cpu time spent up to now is 327.9 secs Computing kpt #: 310 total cpu time spent up to now is 328.6 secs Computing kpt #: 311 total cpu time spent up to now is 329.2 secs Computing kpt #: 312 total cpu time spent up to now is 330.0 secs Computing kpt #: 313 total cpu time spent up to now is 330.7 secs Computing kpt #: 314 total cpu time spent up to now is 331.4 secs Computing kpt #: 315 total cpu time spent up to now is 332.1 secs Computing kpt #: 316 total cpu time spent up to now is 333.0 secs Computing kpt #: 317 total cpu time spent up to now is 333.6 secs Computing kpt #: 318 total cpu time spent up to now is 334.3 secs Computing kpt #: 319 total cpu time spent up to now is 335.1 secs Computing kpt #: 320 total cpu time spent up to now is 335.8 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Computing kpt #: 336 total cpu time spent up to now is 348.5 secs Computing kpt #: 337 total cpu time spent up to now is 349.3 secs Computing kpt #: 338 total cpu time spent up to now is 351.3 secs Computing kpt #: 339 total cpu time spent up to now is 352.1 secs Computing kpt #: 340 total cpu time spent up to now is 353.0 secs Computing kpt #: 341 total cpu time spent up to now is 354.6 secs Computing kpt #: 342 total cpu time spent up to now is 355.7 secs Computing kpt #: 343 total cpu time spent up to now is 357.8 secs Computing kpt #: 344 total cpu time spent up to now is 360.4 secs Computing kpt #: 345 total cpu time spent up to now is 362.6 secs Computing kpt #: 346 total cpu time spent up to now is 363.4 secs Computing kpt #: 347 total cpu time spent up to now is 365.1 secs Computing kpt #: 348 total cpu time spent up to now is 366.4 secs Computing kpt #: 349 total cpu time spent up to now is 367.3 secs Computing kpt #: 350 total cpu time spent up to now is 368.0 secs Computing 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total cpu time spent up to now is 380.5 secs Computing kpt #: 367 total cpu time spent up to now is 381.2 secs Computing kpt #: 368 total cpu time spent up to now is 381.9 secs Computing kpt #: 369 total cpu time spent up to now is 382.6 secs Computing kpt #: 370 total cpu time spent up to now is 383.4 secs Computing kpt #: 371 total cpu time spent up to now is 384.2 secs Computing kpt #: 372 total cpu time spent up to now is 384.9 secs Computing kpt #: 373 total cpu time spent up to now is 385.6 secs Computing kpt #: 374 total cpu time spent up to now is 386.3 secs Computing kpt #: 375 total cpu time spent up to now is 387.0 secs Computing kpt #: 376 total cpu time spent up to now is 387.8 secs Computing kpt #: 377 total cpu time spent up to now is 388.5 secs Computing kpt #: 378 total cpu time spent up to now is 389.6 secs Computing kpt #: 379 total cpu time spent up to now is 390.3 secs Computing kpt #: 380 total cpu time spent up to now is 391.3 secs Computing kpt #: 381 total cpu time spent up to now is 392.4 secs Computing kpt #: 382 total cpu time spent up to now is 393.5 secs Computing kpt #: 383 total cpu time spent up to now is 394.4 secs Computing kpt #: 384 total cpu time spent up to now is 395.2 secs Computing kpt #: 385 total cpu time spent up to now is 395.9 secs Computing kpt #: 386 total cpu time spent up to now is 397.1 secs Computing kpt #: 387 total cpu time spent up to now is 397.8 secs Computing kpt #: 388 total cpu time spent up to now is 398.5 secs Computing kpt #: 389 total cpu time spent up to now is 399.2 secs Computing kpt #: 390 total cpu time spent up to now is 399.9 secs Computing kpt #: 391 total cpu time spent up to now is 400.7 secs Computing kpt #: 392 total cpu time spent up to now is 401.6 secs Computing kpt #: 393 total cpu time spent up to now is 402.3 secs Computing kpt #: 394 total cpu time spent up to now is 403.1 secs Computing kpt #: 395 total cpu time spent up to now is 403.8 secs Computing kpt #: 396 total cpu time spent up to now is 406.3 secs Computing kpt #: 397 total cpu time spent up to now is 409.3 secs Computing kpt #: 398 total cpu time spent up to now is 411.0 secs Computing kpt #: 399 total cpu time spent up to now is 411.8 secs Computing kpt #: 400 total cpu time spent up to now is 412.5 secs Computing kpt #: 401 total cpu time spent up to now is 413.1 secs Computing kpt #: 402 total cpu time spent up to now is 413.9 secs Computing kpt #: 403 total cpu time spent up to now is 414.6 secs Computing kpt #: 404 total cpu time spent up to now is 415.3 secs Computing kpt #: 405 total cpu time spent up to now is 416.0 secs Computing kpt #: 406 total cpu time spent up to now is 416.7 secs Computing kpt #: 407 total cpu time spent up to now is 417.4 secs Computing kpt #: 408 total cpu time spent up to now is 418.0 secs Computing kpt #: 409 total cpu time spent up to now is 418.7 secs Computing kpt #: 410 total cpu time spent up to now is 419.5 secs Computing kpt #: 411 total cpu time spent up to now is 420.2 secs Computing kpt #: 412 total cpu time spent up to now is 420.9 secs Computing kpt #: 413 total cpu time spent up to now is 421.6 secs Computing kpt #: 414 total cpu time spent up to now is 422.4 secs Computing kpt #: 415 total cpu time spent up to now is 423.2 secs Computing kpt #: 416 total cpu time spent up to now is 423.9 secs Computing kpt #: 417 total cpu time spent up to now is 424.7 secs Computing kpt #: 418 total cpu time spent up to now is 425.3 secs Computing kpt #: 419 total cpu time spent up to now is 426.0 secs Computing kpt #: 420 total cpu time spent up to now is 426.7 secs Computing kpt #: 421 total cpu time spent up to now is 427.4 secs Computing kpt #: 422 total cpu time spent up to now is 428.1 secs Computing kpt #: 423 total cpu time spent up to now is 428.9 secs Computing kpt #: 424 total cpu time spent up to now is 429.6 secs Computing kpt #: 425 total cpu time spent up to now is 430.3 secs Computing kpt #: 426 total cpu time spent up to now is 430.9 secs Computing kpt #: 427 total cpu time spent up to now is 431.6 secs Computing kpt #: 428 total cpu time spent up to now is 432.2 secs Computing kpt #: 429 total cpu time spent up to now is 433.5 secs Computing kpt #: 430 total cpu time spent up to now is 434.5 secs Computing kpt #: 431 total cpu time spent up to now is 435.1 secs Computing kpt #: 432 total cpu time spent up to now is 435.9 secs Computing kpt #: 433 total cpu time spent up to now is 438.1 secs Computing kpt #: 434 total cpu time spent up to now is 439.9 secs Computing kpt #: 435 total cpu time spent up to now is 441.2 secs Computing kpt #: 436 total cpu time spent up to now is 441.8 secs Computing kpt #: 437 total cpu time spent up to now is 442.5 secs Computing kpt #: 438 total cpu time spent up to now is 443.2 secs Computing kpt #: 439 total cpu time spent up to now is 443.9 secs Computing kpt #: 440 total cpu time spent up to now is 444.5 secs Computing kpt #: 441 total cpu time spent up to now is 445.2 secs Computing kpt #: 442 total cpu time spent up to now is 445.9 secs Computing kpt #: 443 total cpu time spent up to now is 448.4 secs Computing kpt #: 444 total cpu time spent up to now is 450.0 secs Computing kpt #: 445 total cpu time spent up to now is 451.5 secs Computing kpt #: 446 total cpu time spent up to now is 452.7 secs Computing kpt #: 447 total cpu time spent up to now is 454.2 secs Computing kpt #: 448 total cpu time spent up to now is 457.4 secs Computing kpt #: 449 total cpu time spent up to now is 458.1 secs Computing kpt #: 450 total cpu time spent up to now is 458.8 secs Computing kpt #: 451 total cpu time spent up to now is 459.5 secs Computing kpt #: 452 total cpu time spent up to now is 460.2 secs Computing kpt #: 453 total cpu time spent up to now is 461.2 secs Computing kpt #: 454 total cpu time spent up to now is 461.9 secs Computing kpt #: 455 total cpu time spent up to now is 462.7 secs Computing kpt #: 456 total cpu time spent up to now is 463.6 secs Computing kpt #: 457 total cpu time spent up to now is 464.3 secs Computing kpt #: 458 total cpu time spent up to now is 465.0 secs Computing kpt #: 459 total cpu time spent up to now is 465.8 secs Computing kpt #: 460 total cpu time spent up to now is 466.6 secs Computing kpt #: 461 total cpu time spent up to now is 467.3 secs Computing kpt #: 462 total cpu time spent up to now is 468.2 secs Computing kpt #: 463 total cpu time spent up to now is 468.9 secs Computing kpt #: 464 total cpu time spent up to now is 469.6 secs Computing kpt #: 465 total cpu time spent up to now is 470.4 secs Computing kpt #: 466 total cpu time spent up to now is 471.1 secs Computing kpt #: 467 total cpu time spent up to now is 472.0 secs ethr = 4.17E-11, avg # of iterations = 26.9 total cpu time spent up to now is 472.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4757 -13.4757 -5.9348 -5.9348 -0.7218 -0.7218 0.9211 0.9211 1.2756 1.2756 2.4077 2.4077 3.1883 3.1883 3.2232 3.2232 3.3504 3.3504 4.2538 4.2538 6.0279 6.0279 8.8891 8.8891 10.3191 10.3191 14.3397 14.3397 17.6411 17.6411 19.2297 19.2297 k = 0.0070 0.0085-0.0022 ( 1521 PWs) bands (ev): -13.4753 -13.4753 -5.9359 -5.9359 -0.7207 -0.7207 0.9211 0.9211 1.2757 1.2757 2.4056 2.4056 3.1671 3.1671 3.2395 3.2395 3.3539 3.3539 4.2555 4.2555 6.0311 6.0311 8.8886 8.8886 10.3187 10.3187 14.3405 14.3405 17.6375 17.6375 19.2166 19.2166 k = 0.0139 0.0170-0.0044 ( 1517 PWs) bands (ev): -13.4741 -13.4741 -5.9392 -5.9392 -0.7174 -0.7174 0.9212 0.9212 1.2760 1.2760 2.3994 2.3994 3.1326 3.1326 3.2594 3.2594 3.3647 3.3647 4.2604 4.2604 6.0408 6.0408 8.8867 8.8867 10.3175 10.3175 14.3429 14.3429 17.6264 17.6264 19.1802 19.1802 k = 0.0209 0.0255-0.0066 ( 1517 PWs) bands (ev): -13.4721 -13.4721 -5.9447 -5.9447 -0.7120 -0.7120 0.9212 0.9212 1.2765 1.2765 2.3890 2.3890 3.0958 3.0958 3.2718 3.2718 3.3827 3.3827 4.2685 4.2685 6.0568 6.0568 8.8837 8.8837 10.3156 10.3156 14.3470 14.3470 17.6075 17.6075 19.1274 19.1274 k = 0.0278 0.0340-0.0088 ( 1517 PWs) bands (ev): -13.4693 -13.4693 -5.9523 -5.9523 -0.7045 -0.7045 0.9211 0.9211 1.2771 1.2771 2.3744 2.3744 3.0590 3.0590 3.2776 3.2776 3.4052 3.4052 4.2797 4.2797 6.0790 6.0790 8.8794 8.8794 10.3130 10.3130 14.3526 14.3526 17.5799 17.5799 19.0663 19.0663 k = 0.0348 0.0425-0.0110 ( 1517 PWs) bands (ev): -13.4657 -13.4657 -5.9620 -5.9620 -0.6948 -0.6948 0.9207 0.9207 1.2780 1.2780 2.3558 2.3558 3.0233 3.0233 3.2789 3.2789 3.4292 3.4292 4.2938 4.2938 6.1070 6.1070 8.8739 8.8739 10.3100 10.3100 14.3597 14.3597 17.5429 17.5429 19.0038 19.0038 k = 0.0418 0.0510-0.0132 ( 1519 PWs) bands (ev): -13.4613 -13.4613 -5.9737 -5.9737 -0.6831 -0.6831 0.9200 0.9200 1.2792 1.2792 2.3333 2.3333 2.9895 2.9895 3.2773 3.2773 3.4527 3.4527 4.3108 4.3108 6.1405 6.1405 8.8672 8.8672 10.3066 10.3066 14.3682 14.3682 17.4957 17.4957 18.9452 18.9452 k = 0.0487 0.0595-0.0154 ( 1519 PWs) bands (ev): -13.4562 -13.4562 -5.9873 -5.9873 -0.6693 -0.6693 0.9187 0.9187 1.2805 1.2805 2.3071 2.3071 2.9582 2.9582 3.2737 3.2737 3.4745 3.4745 4.3304 4.3304 6.1790 6.1790 8.8593 8.8593 10.3032 10.3032 14.3780 14.3780 17.4379 17.4379 18.8942 18.8942 k = 0.0557 0.0680-0.0176 ( 1519 PWs) bands (ev): -13.4504 -13.4504 -6.0028 -6.0028 -0.6535 -0.6535 0.9166 0.9166 1.2822 1.2822 2.2776 2.2776 2.9298 2.9298 3.2685 3.2685 3.4942 3.4942 4.3524 4.3524 6.2220 6.2220 8.8502 8.8502 10.3000 10.3000 14.3892 14.3892 17.3698 17.3698 18.8529 18.8529 k = 0.0626 0.0765-0.0197 ( 1519 PWs) bands (ev): -13.4438 -13.4438 -6.0200 -6.0200 -0.6358 -0.6358 0.9138 0.9138 1.2840 1.2840 2.2453 2.2453 2.9045 2.9045 3.2618 3.2618 3.5117 3.5117 4.3765 4.3765 6.2690 6.2690 8.8400 8.8400 10.2972 10.2972 14.4015 14.4015 17.2919 17.2919 18.8222 18.8222 k = 0.0696 0.0850-0.0219 ( 1517 PWs) bands (ev): -13.4366 -13.4366 -6.0388 -6.0388 -0.6162 -0.6162 0.9098 0.9098 1.2859 1.2859 2.2108 2.2108 2.8823 2.8823 3.2537 3.2537 3.5270 3.5270 4.4024 4.4024 6.3193 6.3193 8.8287 8.8287 10.2954 10.2954 14.4148 14.4148 17.2055 17.2055 18.8021 18.8021 k = 0.0766 0.0935-0.0241 ( 1513 PWs) bands (ev): -13.4288 -13.4288 -6.0592 -6.0592 -0.5947 -0.5947 0.9048 0.9048 1.2879 1.2879 2.1746 2.1746 2.8633 2.8633 3.2444 3.2444 3.5403 3.5403 4.4300 4.4300 6.3722 6.3722 8.8162 8.8162 10.2947 10.2947 14.4291 14.4291 17.1118 17.1118 18.7918 18.7918 k = 0.0835 0.1020-0.0263 ( 1511 PWs) bands (ev): -13.4204 -13.4204 -6.0809 -6.0809 -0.5715 -0.5715 0.8984 0.8984 1.2897 1.2897 2.1373 2.1373 2.8472 2.8472 3.2337 3.2337 3.5519 3.5519 4.4588 4.4588 6.4271 6.4271 8.8027 8.8027 10.2955 10.2955 14.4441 14.4441 17.0125 17.0125 18.7904 18.7904 k = 0.0905 0.1105-0.0285 ( 1507 PWs) bands (ev): -13.4114 -13.4114 -6.1038 -6.1038 -0.5466 -0.5466 0.8908 0.8908 1.2913 1.2913 2.0997 2.0997 2.8340 2.8340 3.2219 3.2219 3.5621 3.5621 4.4887 4.4887 6.4832 6.4832 8.7881 8.7881 10.2983 10.2983 14.4599 14.4599 16.9090 16.9090 18.7967 18.7967 k = 0.0974 0.1190-0.0307 ( 1505 PWs) bands (ev): -13.4019 -13.4019 -6.1277 -6.1277 -0.5200 -0.5200 0.8818 0.8818 1.2925 1.2925 2.0621 2.0621 2.8234 2.8234 3.2089 3.2089 3.5713 3.5713 4.5194 4.5194 6.5397 6.5397 8.7725 8.7725 10.3034 10.3034 14.4762 14.4762 16.8028 16.8028 18.8093 18.8093 k = 0.1044 0.1275-0.0329 ( 1503 PWs) bands (ev): -13.3919 -13.3919 -6.1526 -6.1526 -0.4920 -0.4920 0.8715 0.8715 1.2932 1.2932 2.0252 2.0252 2.8151 2.8151 3.1948 3.1948 3.5798 3.5798 4.5507 4.5507 6.5961 6.5961 8.7560 8.7560 10.3112 10.3112 14.4929 14.4929 16.6949 16.6949 18.8273 18.8273 k = 0.1114 0.1360-0.0351 ( 1499 PWs) bands (ev): -13.3815 -13.3815 -6.1783 -6.1783 -0.4625 -0.4625 0.8600 0.8600 1.2931 1.2931 1.9891 1.9891 2.8091 2.8091 3.1799 3.1799 3.5878 3.5878 4.5822 4.5822 6.6515 6.6515 8.7386 8.7386 10.3220 10.3220 14.5100 14.5100 16.5863 16.5863 18.8495 18.8495 k = 0.1183 0.1445-0.0373 ( 1497 PWs) bands (ev): -13.3708 -13.3708 -6.2046 -6.2046 -0.4316 -0.4316 0.8472 0.8472 1.2921 1.2921 1.9543 1.9543 2.8049 2.8049 3.1644 3.1644 3.5956 3.5956 4.6138 4.6138 6.7053 6.7053 8.7203 8.7203 10.3364 10.3364 14.5272 14.5272 16.4780 16.4780 18.8749 18.8749 k = 0.1253 0.1530-0.0395 ( 1497 PWs) bands (ev): -13.3597 -13.3597 -6.2314 -6.2314 -0.3996 -0.3996 0.8334 0.8334 1.2902 1.2902 1.9208 1.9208 2.8022 2.8022 3.1485 3.1485 3.6036 3.6036 4.6453 4.6453 6.7569 6.7569 8.7013 8.7013 10.3544 10.3544 14.5446 14.5446 16.3705 16.3705 18.9024 18.9024 k = 0.1322 0.1615-0.0417 ( 1497 PWs) bands (ev): -13.3484 -13.3484 -6.2584 -6.2584 -0.3664 -0.3664 0.8186 0.8186 1.2873 1.2873 1.8887 1.8887 2.8008 2.8008 3.1326 3.1326 3.6118 3.6118 4.6763 4.6763 6.8059 6.8059 8.6816 8.6816 10.3764 10.3764 14.5619 14.5619 16.2645 16.2645 18.9311 18.9311 k = 0.1392 0.1700-0.0439 ( 1494 PWs) bands (ev): -13.3368 -13.3368 -6.2856 -6.2856 -0.3321 -0.3321 0.8031 0.8031 1.2835 1.2835 1.8580 1.8580 2.8002 2.8002 3.1171 3.1171 3.6205 3.6205 4.7068 4.7068 6.8518 6.8518 8.6613 8.6613 10.4027 10.4027 14.5792 14.5792 16.1605 16.1605 18.9598 18.9598 k = 0.1462 0.1785-0.0461 ( 1494 PWs) bands (ev): -13.3251 -13.3251 -6.3127 -6.3127 -0.2970 -0.2970 0.7870 0.7870 1.2788 1.2788 1.8285 1.8285 2.8000 2.8000 3.1025 3.1025 3.6298 3.6298 4.7365 4.7365 6.8941 6.8941 8.6404 8.6404 10.4332 10.4332 14.5962 14.5962 16.0587 16.0587 18.9874 18.9874 k = 0.1531 0.1870-0.0483 ( 1494 PWs) bands (ev): -13.3133 -13.3133 -6.3397 -6.3397 -0.2612 -0.2612 0.7705 0.7705 1.2734 1.2734 1.8002 1.8002 2.7996 2.7996 3.0893 3.0893 3.6399 3.6399 4.7651 4.7651 6.9328 6.9328 8.6192 8.6192 10.4679 10.4679 14.6130 14.6130 15.9595 15.9595 19.0123 19.0123 k = 0.1601 0.1955-0.0505 ( 1496 PWs) bands (ev): -13.3015 -13.3015 -6.3664 -6.3664 -0.2248 -0.2248 0.7539 0.7539 1.2674 1.2674 1.7729 1.7729 2.7985 2.7985 3.0778 3.0778 3.6508 3.6508 4.7926 4.7926 6.9676 6.9676 8.5977 8.5977 10.5068 10.5068 14.6295 14.6295 15.8631 15.8631 19.0329 19.0329 k = 0.1670 0.2040-0.0527 ( 1493 PWs) bands (ev): -13.2898 -13.2898 -6.3925 -6.3925 -0.1880 -0.1880 0.7373 0.7373 1.2610 1.2610 1.7463 1.7463 2.7963 2.7963 3.0686 3.0686 3.6626 3.6626 4.8186 4.8186 6.9985 6.9985 8.5760 8.5760 10.5495 10.5495 14.6456 14.6456 15.7699 15.7699 19.0471 19.0471 k = 0.1740 0.2125-0.0549 ( 1491 PWs) bands (ev): -13.2781 -13.2781 -6.4181 -6.4181 -0.1510 -0.1510 0.7211 0.7211 1.2544 1.2544 1.7203 1.7203 2.7927 2.7927 3.0618 3.0618 3.6754 3.6754 4.8429 4.8429 7.0255 7.0255 8.5542 8.5542 10.5959 10.5959 14.6612 14.6612 15.6799 15.6799 19.0521 19.0521 k = 0.1810 0.2210-0.0570 ( 1488 PWs) bands (ev): -13.2666 -13.2666 -6.4428 -6.4428 -0.1139 -0.1139 0.7053 0.7053 1.2477 1.2477 1.6948 1.6948 2.7875 2.7875 3.0575 3.0575 3.6891 3.6891 4.8655 4.8655 7.0489 7.0489 8.5326 8.5326 10.6454 10.6454 14.6762 14.6762 15.5933 15.5933 19.0447 19.0447 k = 0.1879 0.2295-0.0592 ( 1488 PWs) bands (ev): -13.2553 -13.2553 -6.4667 -6.4667 -0.0771 -0.0771 0.6903 0.6903 1.2413 1.2413 1.6695 1.6695 2.7809 2.7809 3.0554 3.0554 3.7038 3.7038 4.8861 4.8861 7.0689 7.0689 8.5112 8.5112 10.6975 10.6975 14.6906 14.6906 15.5101 15.5101 19.0217 19.0217 k = 0.1949 0.2380-0.0614 ( 1489 PWs) bands (ev): -13.2443 -13.2443 -6.4895 -6.4895 -0.0407 -0.0407 0.6762 0.6762 1.2352 1.2352 1.6446 1.6446 2.7730 2.7730 3.0553 3.0553 3.7195 3.7195 4.9044 4.9044 7.0857 7.0857 8.4901 8.4901 10.7516 10.7516 14.7044 14.7044 15.4305 15.4305 18.9801 18.9801 k = 0.2019 0.2465-0.0636 ( 1491 PWs) bands (ev): -13.2336 -13.2336 -6.5112 -6.5112 -0.0049 -0.0049 0.6631 0.6631 1.2297 1.2297 1.6199 1.6199 2.7643 2.7643 3.0566 3.0566 3.7360 3.7360 4.9204 4.9204 7.0997 7.0997 8.4696 8.4696 10.8071 10.8071 14.7176 14.7176 15.3544 15.3544 18.9188 18.9188 k = 0.2088 0.2550-0.0658 ( 1491 PWs) bands (ev): -13.2233 -13.2233 -6.5316 -6.5316 0.0299 0.0299 0.6512 0.6512 1.2249 1.2249 1.5955 1.5955 2.7552 2.7552 3.0588 3.0588 3.7533 3.7533 4.9339 4.9339 7.1113 7.1113 8.4498 8.4498 10.8632 10.8632 14.7300 14.7300 15.2820 15.2820 18.8388 18.8388 k = 0.2158 0.2635-0.0680 ( 1493 PWs) bands (ev): -13.2134 -13.2134 -6.5506 -6.5506 0.0635 0.0635 0.6405 0.6405 1.2211 1.2211 1.5715 1.5715 2.7461 2.7461 3.0613 3.0613 3.7712 3.7712 4.9448 4.9448 7.1208 7.1208 8.4309 8.4309 10.9193 10.9193 14.7416 14.7416 15.2133 15.2133 18.7434 18.7434 k = 0.2227 0.2720-0.0702 ( 1494 PWs) bands (ev): -13.2040 -13.2040 -6.5682 -6.5682 0.0957 0.0957 0.6311 0.6311 1.2183 1.2183 1.5482 1.5482 2.7374 2.7374 3.0639 3.0639 3.7896 3.7896 4.9528 4.9528 7.1287 7.1287 8.4130 8.4130 10.9745 10.9745 14.7525 14.7525 15.1482 15.1482 18.6371 18.6371 k = 0.2297 0.2805-0.0724 ( 1490 PWs) bands (ev): -13.1952 -13.1952 -6.5842 -6.5842 0.1263 0.1263 0.6228 0.6228 1.2167 1.2167 1.5256 1.5256 2.7295 2.7295 3.0660 3.0660 3.8083 3.8083 4.9579 4.9579 7.1352 7.1352 8.3963 8.3963 11.0280 11.0280 14.7624 14.7624 15.0868 15.0868 18.5242 18.5242 k = 0.2367 0.2890-0.0746 ( 1492 PWs) bands (ev): -13.1870 -13.1870 -6.5985 -6.5985 0.1550 0.1550 0.6154 0.6154 1.2166 1.2166 1.5041 1.5041 2.7225 2.7225 3.0675 3.0675 3.8271 3.8271 4.9600 4.9600 7.1408 7.1408 8.3808 8.3808 11.0791 11.0791 14.7713 14.7713 15.0290 15.0290 18.4082 18.4082 k = 0.2436 0.2975-0.0768 ( 1492 PWs) bands (ev): -13.1793 -13.1793 -6.6111 -6.6111 0.1818 0.1818 0.6088 0.6088 1.2181 1.2181 1.4838 1.4838 2.7166 2.7166 3.0681 3.0681 3.8458 3.8458 4.9590 4.9590 7.1457 7.1457 8.3668 8.3668 11.1270 11.1270 14.7790 14.7790 14.9749 14.9749 18.2922 18.2922 k = 0.2506 0.3060-0.0790 ( 1492 PWs) bands (ev): -13.1724 -13.1724 -6.6220 -6.6220 0.2065 0.2065 0.6026 0.6026 1.2214 1.2214 1.4651 1.4651 2.7122 2.7122 3.0678 3.0678 3.8642 3.8642 4.9548 4.9548 7.1503 7.1503 8.3542 8.3542 11.1712 11.1712 14.7852 14.7852 14.9247 14.9247 18.1786 18.1786 k = 0.2575 0.3145-0.0812 ( 1496 PWs) bands (ev): -13.1661 -13.1661 -6.6311 -6.6311 0.2292 0.2292 0.5964 0.5964 1.2267 1.2267 1.4481 1.4481 2.7093 2.7093 3.0664 3.0664 3.8819 3.8819 4.9476 4.9476 7.1546 7.1546 8.3434 8.3434 11.2108 11.2108 14.7890 14.7890 14.8790 14.8790 18.0690 18.0690 k = 0.2645 0.3230-0.0834 ( 1494 PWs) bands (ev): -13.1605 -13.1605 -6.6383 -6.6383 0.2500 0.2500 0.5899 0.5899 1.2341 1.2341 1.4331 1.4331 2.7080 2.7080 3.0640 3.0640 3.8988 3.8988 4.9372 4.9372 7.1589 7.1589 8.3342 8.3342 11.2453 11.2453 14.7874 14.7874 14.8408 14.8408 17.9651 17.9651 k = 0.2715 0.3315-0.0856 ( 1494 PWs) bands (ev): -13.1556 -13.1556 -6.6436 -6.6436 0.2688 0.2688 0.5826 0.5826 1.2435 1.2435 1.4202 1.4202 2.7085 2.7085 3.0605 3.0605 3.9147 3.9147 4.9237 4.9237 7.1632 7.1632 8.3268 8.3268 11.2743 11.2743 14.7709 14.7709 14.8193 14.8193 17.8678 17.8678 k = 0.2784 0.3400-0.0878 ( 1494 PWs) bands (ev): -13.1514 -13.1514 -6.6471 -6.6471 0.2858 0.2858 0.5745 0.5745 1.2551 1.2551 1.4097 1.4097 2.7107 2.7107 3.0561 3.0561 3.9294 3.9294 4.9072 4.9072 7.1676 7.1676 8.3211 8.3211 11.2974 11.2974 14.7401 14.7401 14.8135 14.8135 17.7781 17.7781 k = 0.2854 0.3485-0.0900 ( 1494 PWs) bands (ev): -13.1480 -13.1480 -6.6487 -6.6487 0.3009 0.3009 0.5655 0.5655 1.2684 1.2684 1.4017 1.4017 2.7149 2.7149 3.0508 3.0508 3.9427 3.9427 4.8879 4.8879 7.1720 7.1720 8.3173 8.3173 11.3145 11.3145 14.7071 14.7071 14.8114 14.8114 17.6967 17.6967 k = 0.2923 0.3570-0.0922 ( 1494 PWs) bands (ev): -13.1454 -13.1454 -6.6484 -6.6484 0.3139 0.3139 0.5559 0.5559 1.2831 1.2831 1.3966 1.3966 2.7209 2.7209 3.0447 3.0447 3.9543 3.9543 4.8658 4.8658 7.1764 7.1764 8.3152 8.3152 11.3253 11.3253 14.6753 14.6753 14.8090 14.8090 17.6238 17.6238 k = 0.2993 0.3655-0.0944 ( 1501 PWs) bands (ev): -13.1434 -13.1434 -6.6463 -6.6463 0.3244 0.3244 0.5462 0.5462 1.2984 1.2984 1.3948 1.3948 2.7288 2.7288 3.0380 3.0380 3.9642 3.9642 4.8412 4.8412 7.1805 7.1805 8.3149 8.3149 11.3299 11.3299 14.6457 14.6457 14.8054 14.8054 17.5598 17.5598 k = 0.3063 0.3740-0.0965 ( 1501 PWs) bands (ev): -13.1422 -13.1422 -6.6424 -6.6424 0.3318 0.3318 0.5376 0.5376 1.3130 1.3130 1.3972 1.3972 2.7386 2.7386 3.0309 3.0309 3.9721 3.9721 4.8143 4.8143 7.1844 7.1844 8.3162 8.3162 11.3285 11.3285 14.6182 14.6182 14.8002 14.8002 17.5047 17.5047 k = 0.3132 0.3825-0.0987 ( 1501 PWs) bands (ev): -13.1417 -13.1417 -6.6367 -6.6367 0.3350 0.3350 0.5312 0.5312 1.3254 1.3254 1.4050 1.4050 2.7501 2.7501 3.0236 3.0236 3.9779 3.9779 4.7853 4.7853 7.1876 7.1876 8.3192 8.3192 11.3214 11.3214 14.5928 14.5928 14.7932 14.7932 17.4583 17.4583 k = 0.3202 0.3910-0.1009 ( 1501 PWs) bands (ev): -13.1419 -13.1419 -6.6293 -6.6293 0.3331 0.3331 0.5285 0.5285 1.3345 1.3345 1.4188 1.4188 2.7633 2.7633 3.0163 3.0163 3.9815 3.9815 4.7546 4.7546 7.1900 7.1900 8.3237 8.3237 11.3091 11.3091 14.5695 14.5695 14.7845 14.7845 17.4203 17.4203 k = 0.3271 0.3995-0.1031 ( 1503 PWs) bands (ev): -13.1427 -13.1427 -6.6203 -6.6203 0.3255 0.3255 0.5301 0.5301 1.3405 1.3405 1.4380 1.4380 2.7779 2.7779 3.0093 3.0093 3.9826 3.9826 4.7225 4.7225 7.1912 7.1912 8.3296 8.3296 11.2921 11.2921 14.5480 14.5480 14.7740 14.7740 17.3901 17.3901 k = 0.3341 0.4080-0.1053 ( 1501 PWs) bands (ev): -13.1442 -13.1442 -6.6098 -6.6098 0.3125 0.3125 0.5363 0.5363 1.3446 1.3446 1.4611 1.4611 2.7936 2.7936 3.0030 3.0030 3.9812 3.9812 4.6893 4.6893 7.1910 7.1910 8.3369 8.3369 11.2711 11.2711 14.5281 14.5281 14.7619 14.7619 17.3670 17.3670 k = 0.3411 0.4165-0.1075 ( 1499 PWs) bands (ev): -13.1462 -13.1462 -6.5978 -6.5978 0.2950 0.2950 0.5464 0.5464 1.3476 1.3476 1.4871 1.4871 2.8100 2.8100 2.9979 2.9979 3.9771 3.9771 4.6554 4.6554 7.1891 7.1891 8.3455 8.3455 11.2467 11.2467 14.5096 14.5096 14.7484 14.7484 17.3504 17.3504 k = 0.3480 0.4250-0.1097 ( 1499 PWs) bands (ev): -13.1488 -13.1488 -6.5844 -6.5844 0.2739 0.2739 0.5596 0.5596 1.3500 1.3500 1.5151 1.5151 2.8263 2.8263 2.9944 2.9944 3.9701 3.9701 4.6211 4.6211 7.1851 7.1851 8.3551 8.3551 11.2197 11.2197 14.4924 14.4924 14.7335 14.7335 17.3393 17.3393 k = 0.3550 0.4335-0.1119 ( 1499 PWs) bands (ev): -13.1519 -13.1519 -6.5698 -6.5698 0.2503 0.2503 0.5751 0.5751 1.3521 1.3521 1.5449 1.5449 2.8418 2.8418 2.9933 2.9933 3.9603 3.9603 4.5869 4.5869 7.1790 7.1790 8.3657 8.3657 11.1909 11.1909 14.4761 14.4761 14.7175 14.7175 17.3327 17.3327 k = 0.3619 0.4420-0.1141 ( 1501 PWs) bands (ev): -13.1555 -13.1555 -6.5541 -6.5541 0.2248 0.2248 0.5923 0.5923 1.3540 1.3540 1.5763 1.5763 2.8554 2.8554 2.9954 2.9954 3.9474 3.9474 4.5531 4.5531 7.1703 7.1703 8.3772 8.3772 11.1611 11.1611 14.4605 14.4605 14.7007 14.7007 17.3299 17.3299 k = 0.3689 0.4505-0.1163 ( 1499 PWs) bands (ev): -13.1595 -13.1595 -6.5373 -6.5373 0.1981 0.1981 0.6106 0.6106 1.3558 1.3558 1.6090 1.6090 2.8663 2.8663 3.0014 3.0014 3.9315 3.9315 4.5201 4.5201 7.1589 7.1589 8.3894 8.3894 11.1309 11.1309 14.4453 14.4453 14.6835 14.6835 17.3298 17.3298 k = 0.3759 0.4590-0.1185 ( 1497 PWs) bands (ev): -13.1638 -13.1638 -6.5197 -6.5197 0.1705 0.1705 0.6298 0.6298 1.3577 1.3577 1.6432 1.6432 2.8739 2.8739 3.0114 3.0114 3.9127 3.9127 4.4881 4.4881 7.1448 7.1448 8.4023 8.4023 11.1010 11.1010 14.4302 14.4302 14.6661 14.6661 17.3316 17.3316 k = 0.3828 0.4675-0.1207 ( 1495 PWs) bands (ev): -13.1684 -13.1684 -6.5014 -6.5014 0.1423 0.1423 0.6494 0.6494 1.3597 1.3597 1.6787 1.6787 2.8785 2.8785 3.0246 3.0246 3.8911 3.8911 4.4573 4.4573 7.1279 7.1279 8.4157 8.4157 11.0721 11.0721 14.4149 14.4149 14.6489 14.6489 17.3345 17.3345 k = 0.3898 0.4760-0.1229 ( 1491 PWs) bands (ev): -13.1733 -13.1733 -6.4824 -6.4824 0.1139 0.1139 0.6692 0.6692 1.3621 1.3621 1.7157 1.7157 2.8810 2.8810 3.0398 3.0398 3.8670 3.8670 4.4280 4.4280 7.1083 7.1083 8.4295 8.4295 11.0446 11.0446 14.3992 14.3992 14.6322 14.6322 17.3378 17.3378 k = 0.3967 0.4845-0.1251 ( 1491 PWs) bands (ev): -13.1784 -13.1784 -6.4630 -6.4630 0.0853 0.0853 0.6889 0.6889 1.3650 1.3650 1.7542 1.7542 2.8820 2.8820 3.0558 3.0558 3.8408 3.8408 4.4002 4.4002 7.0860 7.0860 8.4435 8.4435 11.0189 11.0189 14.3826 14.3826 14.6164 14.6164 17.3409 17.3409 k = 0.4037 0.4930-0.1273 ( 1494 PWs) bands (ev): -13.1836 -13.1836 -6.4434 -6.4434 0.0567 0.0567 0.7083 0.7083 1.3686 1.3686 1.7941 1.7941 2.8821 2.8821 3.0714 3.0714 3.8129 3.8129 4.3739 4.3739 7.0612 7.0612 8.4578 8.4578 10.9954 10.9954 14.3651 14.3651 14.6016 14.6016 17.3434 17.3434 k = 0.4107 0.5015-0.1295 ( 1496 PWs) bands (ev): -13.1890 -13.1890 -6.4235 -6.4235 0.0283 0.0283 0.7273 0.7273 1.3730 1.3730 1.8354 1.8354 2.8817 2.8817 3.0854 3.0854 3.7837 3.7837 4.3492 4.3492 7.0342 7.0342 8.4721 8.4721 10.9744 10.9744 14.3464 14.3464 14.5883 14.5883 17.3451 17.3451 k = 0.4176 0.5100-0.1317 ( 1498 PWs) bands (ev): -13.1943 -13.1943 -6.4037 -6.4037 0.0000 0.0000 0.7458 0.7458 1.3785 1.3785 1.8783 1.8783 2.8810 2.8810 3.0972 3.0972 3.7538 3.7538 4.3262 4.3262 7.0053 7.0053 8.4865 8.4865 10.9561 10.9561 14.3265 14.3265 14.5764 14.5764 17.3456 17.3456 k = 0.4176 0.5100-0.1317 ( 1498 PWs) bands (ev): -13.1943 -13.1943 -6.4037 -6.4037 0.0000 0.0000 0.7458 0.7458 1.3785 1.3785 1.8783 1.8783 2.8810 2.8810 3.0972 3.0972 3.7538 3.7538 4.3262 4.3262 7.0053 7.0053 8.4865 8.4865 10.9561 10.9561 14.3265 14.3265 14.5764 14.5764 17.3456 17.3456 k = 0.4198 0.5127-0.1212 ( 1495 PWs) bands (ev): -13.1824 -13.1824 -6.4563 -6.4563 0.0553 0.0553 0.7345 0.7345 1.3758 1.3758 1.8863 1.8863 2.8943 2.8943 3.1128 3.1128 3.7727 3.7727 4.3403 4.3403 7.0199 7.0199 8.4417 8.4417 10.9276 10.9276 14.3324 14.3324 14.5732 14.5732 17.3341 17.3341 k = 0.4220 0.5154-0.1108 ( 1499 PWs) bands (ev): -13.1693 -13.1693 -6.5127 -6.5127 0.1066 0.1066 0.7306 0.7306 1.3738 1.3738 1.8969 1.8969 2.9059 2.9059 3.1316 3.1316 3.7925 3.7925 4.3560 4.3560 7.0328 7.0328 8.3938 8.3938 10.9000 10.9000 14.3290 14.3290 14.5758 14.5758 17.3185 17.3185 k = 0.4242 0.5181-0.1003 ( 1505 PWs) bands (ev): -13.1552 -13.1552 -6.5724 -6.5724 0.1514 0.1514 0.7361 0.7361 1.3724 1.3724 1.9100 1.9100 2.9162 2.9162 3.1532 3.1532 3.8132 3.8132 4.3732 4.3732 7.0439 7.0439 8.3429 8.3429 10.8735 10.8735 14.3141 14.3141 14.5864 14.5864 17.2976 17.2976 k = 0.4264 0.5208-0.0899 ( 1504 PWs) bands (ev): -13.1401 -13.1401 -6.6350 -6.6350 0.1874 0.1874 0.7526 0.7526 1.3719 1.3719 1.9256 1.9256 2.9256 2.9256 3.1771 3.1771 3.8351 3.8351 4.3921 4.3921 7.0530 7.0530 8.2892 8.2892 10.8483 10.8483 14.2875 14.2875 14.6052 14.6052 17.2695 17.2695 k = 0.4287 0.5235-0.0794 ( 1496 PWs) bands (ev): -13.1239 -13.1239 -6.7003 -6.7003 0.2131 0.2131 0.7809 0.7809 1.3725 1.3725 1.9436 1.9436 2.9345 2.9345 3.2027 3.2027 3.8582 3.8582 4.4128 4.4128 7.0600 7.0600 8.2328 8.2328 10.8247 10.8247 14.2505 14.2505 14.6305 14.6305 17.2323 17.2323 k = 0.4309 0.5262-0.0690 ( 1494 PWs) bands (ev): -13.1067 -13.1067 -6.7679 -6.7679 0.2283 0.2283 0.8199 0.8199 1.3746 1.3746 1.9640 1.9640 2.9434 2.9434 3.2296 3.2296 3.8827 3.8827 4.4355 4.4355 7.0650 7.0650 8.1739 8.1739 10.8030 10.8030 14.2045 14.2045 14.6608 14.6608 17.1839 17.1839 k = 0.4331 0.5289-0.0586 ( 1494 PWs) bands (ev): -13.0886 -13.0886 -6.8375 -6.8375 0.2345 0.2345 0.8672 0.8672 1.3789 1.3789 1.9868 1.9868 2.9524 2.9524 3.2573 3.2573 3.9088 3.9088 4.4600 4.4600 7.0676 7.0676 8.1126 8.1126 10.7833 10.7833 14.1508 14.1508 14.6946 14.6946 17.1228 17.1228 k = 0.4353 0.5316-0.0481 ( 1494 PWs) bands (ev): -13.0696 -13.0696 -6.9086 -6.9086 0.2336 0.2336 0.9191 0.9191 1.3864 1.3864 2.0121 2.0121 2.9619 2.9619 3.2854 3.2854 3.9366 3.9366 4.4867 4.4867 7.0680 7.0680 8.0492 8.0492 10.7660 10.7660 14.0903 14.0903 14.7307 14.7307 17.0475 17.0475 k = 0.4375 0.5343-0.0377 ( 1491 PWs) bands (ev): -13.0498 -13.0498 -6.9810 -6.9810 0.2276 0.2276 0.9718 0.9718 1.3982 1.3982 2.0398 2.0398 2.9720 2.9720 3.3135 3.3135 3.9664 3.9664 4.5155 4.5155 7.0659 7.0659 7.9837 7.9837 10.7513 10.7513 14.0239 14.0239 14.7683 14.7683 16.9580 16.9580 k = 0.4397 0.5370-0.0272 ( 1491 PWs) bands (ev): -13.0292 -13.0292 -7.0543 -7.0543 0.2180 0.2180 1.0214 1.0214 1.4160 1.4160 2.0700 2.0700 2.9830 2.9830 3.3413 3.3413 3.9984 3.9984 4.5467 4.5467 7.0614 7.0614 7.9164 7.9164 10.7394 10.7394 13.9518 13.9518 14.8065 14.8065 16.8550 16.8550 k = 0.4419 0.5397-0.0168 ( 1493 PWs) bands (ev): -13.0079 -13.0079 -7.1284 -7.1284 0.2061 0.2061 1.0647 1.0647 1.4411 1.4411 2.1030 2.1030 2.9949 2.9949 3.3685 3.3685 4.0327 4.0327 4.5802 4.5802 7.0544 7.0544 7.8474 7.8474 10.7305 10.7305 13.8745 13.8745 14.8444 14.8444 16.7404 16.7404 k = 0.4441 0.5424-0.0064 ( 1495 PWs) bands (ev): -12.9859 -12.9859 -7.2027 -7.2027 0.1926 0.1926 1.0993 1.0993 1.4742 1.4742 2.1386 2.1386 3.0078 3.0078 3.3949 3.3949 4.0695 4.0695 4.6162 4.6162 7.0449 7.0449 7.7770 7.7770 10.7249 10.7249 13.7926 13.7926 14.8810 14.8810 16.6168 16.6168 k = 0.4463 0.5451 0.0041 ( 1497 PWs) bands (ev): -12.9633 -12.9633 -7.2772 -7.2772 0.1783 0.1783 1.1249 1.1249 1.5144 1.5144 2.1772 2.1772 3.0218 3.0218 3.4203 3.4203 4.1088 4.1088 4.6548 4.6548 7.0328 7.0328 7.7052 7.7052 10.7226 10.7226 13.7063 13.7063 14.9148 14.9148 16.4874 16.4874 k = 0.4485 0.5478 0.0145 ( 1495 PWs) bands (ev): -12.9401 -12.9401 -7.3514 -7.3514 0.1636 0.1636 1.1425 1.1425 1.5595 1.5595 2.2186 2.2186 3.0370 3.0370 3.4446 3.4446 4.1508 4.1508 4.6960 4.6960 7.0182 7.0182 7.6323 7.6323 10.7238 10.7238 13.6162 13.6162 14.9440 14.9440 16.3560 16.3560 k = 0.4507 0.5504 0.0250 ( 1495 PWs) bands (ev): -12.9166 -12.9166 -7.4252 -7.4252 0.1487 0.1487 1.1539 1.1539 1.6070 1.6070 2.2628 2.2628 3.0534 3.0534 3.4675 3.4675 4.1953 4.1953 4.7399 4.7399 7.0012 7.0012 7.5586 7.5586 10.7285 10.7285 13.5227 13.5227 14.9660 14.9660 16.2267 16.2267 k = 0.4529 0.5531 0.0354 ( 1496 PWs) bands (ev): -12.8927 -12.8927 -7.4982 -7.4982 0.1339 0.1339 1.1606 1.1606 1.6546 1.6546 2.3097 2.3097 3.0711 3.0711 3.4892 3.4892 4.2424 4.2424 4.7866 4.7866 6.9817 6.9817 7.4842 7.4842 10.7370 10.7370 13.4263 13.4263 14.9770 14.9770 16.1049 16.1049 k = 0.4551 0.5558 0.0458 ( 1496 PWs) bands (ev): -12.8685 -12.8685 -7.5702 -7.5702 0.1193 0.1193 1.1641 1.1641 1.7007 1.7007 2.3589 2.3589 3.0901 3.0901 3.5095 3.5095 4.2919 4.2919 4.8359 4.8359 6.9598 6.9598 7.4095 7.4095 10.7491 10.7491 13.3274 13.3274 14.9722 14.9722 15.9967 15.9967 k = 0.4573 0.5585 0.0563 ( 1497 PWs) bands (ev): -12.8442 -12.8442 -7.6411 -7.6411 0.1051 0.1051 1.1653 1.1653 1.7440 1.7440 2.4097 2.4097 3.1106 3.1106 3.5286 3.5286 4.3436 4.3436 4.8879 4.8879 6.9355 6.9355 7.3347 7.3347 10.7649 10.7649 13.2267 13.2267 14.9460 14.9460 15.9086 15.9086 k = 0.4596 0.5612 0.0667 ( 1497 PWs) bands (ev): -12.8198 -12.8198 -7.7104 -7.7104 0.0913 0.0913 1.1649 1.1649 1.7840 1.7840 2.4617 2.4617 3.1324 3.1324 3.5464 3.5464 4.3973 4.3973 4.9423 4.9423 6.9088 6.9088 7.2604 7.2604 10.7841 10.7841 13.1249 13.1249 14.8939 14.8939 15.8457 15.8457 k = 0.4618 0.5639 0.0772 ( 1497 PWs) bands (ev): -12.7955 -12.7955 -7.7780 -7.7780 0.0781 0.0781 1.1634 1.1634 1.8206 1.8206 2.5138 2.5138 3.1558 3.1558 3.5630 3.5630 4.4528 4.4528 4.9990 4.9990 6.8795 6.8795 7.1872 7.1872 10.8068 10.8068 13.0225 13.0225 14.8155 14.8155 15.8092 15.8092 k = 0.4640 0.5666 0.0876 ( 1499 PWs) bands (ev): -12.7714 -12.7714 -7.8437 -7.8437 0.0655 0.0655 1.1612 1.1612 1.8536 1.8536 2.5653 2.5653 3.1806 3.1806 3.5786 3.5786 4.5098 4.5098 5.0576 5.0576 6.8472 6.8472 7.1160 7.1160 10.8326 10.8326 12.9205 12.9205 14.7144 14.7144 15.7959 15.7959 k = 0.4662 0.5693 0.0981 ( 1501 PWs) bands (ev): -12.7475 -12.7475 -7.9073 -7.9073 0.0534 0.0534 1.1584 1.1584 1.8833 1.8833 2.6154 2.6154 3.2069 3.2069 3.5933 3.5933 4.5682 4.5682 5.1176 5.1176 6.8110 6.8110 7.0481 7.0481 10.8612 10.8612 12.8197 12.8197 14.5965 14.5965 15.8003 15.8003 k = 0.4684 0.5720 0.1085 ( 1501 PWs) bands (ev): -12.7241 -12.7241 -7.9684 -7.9684 0.0420 0.0420 1.1553 1.1553 1.9100 1.9100 2.6633 2.6633 3.2346 3.2346 3.6071 3.6071 4.6278 4.6278 5.1785 5.1785 6.7698 6.7698 6.9854 6.9854 10.8921 10.8921 12.7212 12.7212 14.4672 14.4672 15.8170 15.8170 k = 0.4706 0.5747 0.1189 ( 1503 PWs) bands (ev): -12.7013 -12.7013 -8.0268 -8.0268 0.0313 0.0313 1.1520 1.1520 1.9337 1.9337 2.7084 2.7084 3.2634 3.2634 3.6203 3.6203 4.6883 4.6883 5.2396 5.2396 6.7220 6.7220 6.9300 6.9300 10.9248 10.9248 12.6264 12.6264 14.3312 14.3312 15.8417 15.8417 k = 0.4728 0.5774 0.1294 ( 1505 PWs) bands (ev): -12.6792 -12.6792 -8.0824 -8.0824 0.0213 0.0213 1.1486 1.1486 1.9549 1.9549 2.7502 2.7502 3.2931 3.2931 3.6329 3.6329 4.7496 4.7496 5.3000 5.3000 6.6670 6.6670 6.8833 6.8833 10.9585 10.9585 12.5365 12.5365 14.1915 14.1915 15.8714 15.8714 k = 0.4750 0.5801 0.1398 ( 1497 PWs) bands (ev): -12.6579 -12.6579 -8.1350 -8.1350 0.0120 0.0120 1.1452 1.1452 1.9737 1.9737 2.7885 2.7885 3.3234 3.3234 3.6450 3.6450 4.8116 4.8116 5.3590 5.3590 6.6055 6.6055 6.8452 6.8452 10.9923 10.9923 12.4534 12.4534 14.0504 14.0504 15.9039 15.9039 k = 0.4772 0.5828 0.1503 ( 1495 PWs) bands (ev): -12.6376 -12.6376 -8.1842 -8.1842 0.0034 0.0034 1.1419 1.1419 1.9904 1.9904 2.8229 2.8229 3.3536 3.3536 3.6569 3.6569 4.8741 4.8741 5.4156 5.4156 6.5390 6.5390 6.8148 6.8148 11.0248 11.0248 12.3790 12.3790 13.9094 13.9094 15.9375 15.9375 k = 0.4794 0.5855 0.1607 ( 1497 PWs) bands (ev): -12.6185 -12.6185 -8.2300 -8.2300 -0.0045 -0.0045 1.1388 1.1388 2.0050 2.0050 2.8537 2.8537 3.3833 3.3833 3.6685 3.6685 4.9370 4.9370 5.4688 5.4688 6.4694 6.4694 6.7910 6.7910 11.0547 11.0547 12.3155 12.3155 13.7697 13.7697 15.9710 15.9710 k = 0.4816 0.5882 0.1711 ( 1495 PWs) bands (ev): -12.6007 -12.6007 -8.2721 -8.2721 -0.0117 -0.0117 1.1358 1.1358 2.0179 2.0179 2.8808 2.8808 3.4116 3.4116 3.6800 3.6800 5.0000 5.0000 5.5180 5.5180 6.3980 6.3980 6.7730 6.7730 11.0805 11.0805 12.2653 12.2653 13.6321 13.6321 16.0037 16.0037 k = 0.4838 0.5909 0.1816 ( 1493 PWs) bands (ev): -12.5843 -12.5843 -8.3104 -8.3104 -0.0181 -0.0181 1.1330 1.1330 2.0290 2.0290 2.9044 2.9044 3.4381 3.4381 3.6914 3.6914 5.0630 5.0630 5.5624 5.5624 6.3258 6.3258 6.7600 6.7600 11.1006 11.1006 12.2305 12.2305 13.4975 13.4975 16.0346 16.0346 k = 0.4860 0.5936 0.1920 ( 1493 PWs) bands (ev): -12.5694 -12.5694 -8.3445 -8.3445 -0.0238 -0.0238 1.1305 1.1305 2.0386 2.0386 2.9247 2.9247 3.4620 3.4620 3.7026 3.7026 5.1255 5.1255 5.6017 5.6017 6.2538 6.2538 6.7515 6.7515 11.1142 11.1142 12.2129 12.2129 13.3663 13.3663 16.0633 16.0633 k = 0.4882 0.5963 0.2025 ( 1495 PWs) bands (ev): -12.5563 -12.5563 -8.3745 -8.3745 -0.0288 -0.0288 1.1283 1.1283 2.0467 2.0467 2.9418 2.9418 3.4830 3.4830 3.7135 3.7135 5.1870 5.1870 5.6359 5.6359 6.1824 6.1824 6.7469 6.7469 11.1209 11.1209 12.2133 12.2133 13.2392 13.2392 16.0892 16.0892 k = 0.4904 0.5990 0.2129 ( 1497 PWs) bands (ev): -12.5450 -12.5450 -8.4001 -8.4001 -0.0330 -0.0330 1.1264 1.1264 2.0535 2.0535 2.9561 2.9561 3.5009 3.5009 3.7236 3.7236 5.2466 5.2466 5.6655 5.6655 6.1124 6.1124 6.7454 6.7454 11.1218 11.1218 12.2315 12.2315 13.1168 13.1168 16.1117 16.1117 k = 0.4927 0.6017 0.2233 ( 1496 PWs) bands (ev): -12.5356 -12.5356 -8.4212 -8.4212 -0.0365 -0.0365 1.1248 1.1248 2.0589 2.0589 2.9676 2.9676 3.5154 3.5154 3.7326 3.7326 5.3030 5.3030 5.6916 5.6916 6.0445 6.0445 6.7461 6.7461 11.1185 11.1185 12.2659 12.2659 13.0000 13.0000 16.1307 16.1307 k = 0.4949 0.6044 0.2338 ( 1498 PWs) bands (ev): -12.5282 -12.5282 -8.4377 -8.4377 -0.0393 -0.0393 1.1235 1.1235 2.0630 2.0630 2.9765 2.9765 3.5266 3.5266 3.7400 3.7400 5.3537 5.3537 5.7161 5.7161 5.9796 5.9796 6.7481 6.7481 11.1132 11.1132 12.3140 12.3140 12.8899 12.8899 16.1458 16.1458 k = 0.4971 0.6070 0.2442 ( 1498 PWs) bands (ev): -12.5229 -12.5229 -8.4494 -8.4494 -0.0413 -0.0413 1.1226 1.1226 2.0659 2.0659 2.9829 2.9829 3.5347 3.5347 3.7452 3.7452 5.3955 5.3955 5.7415 5.7415 5.9192 5.9192 6.7502 6.7502 11.1081 11.1081 12.3719 12.3719 12.7891 12.7891 16.1566 16.1566 k = 0.4993 0.6097 0.2547 ( 1488 PWs) bands (ev): -12.5197 -12.5197 -8.4565 -8.4565 -0.0425 -0.0425 1.1220 1.1220 2.0676 2.0676 2.9869 2.9869 3.5397 3.5397 3.7479 3.7479 5.4236 5.4236 5.7711 5.7711 5.8652 5.8652 6.7520 6.7520 11.1049 11.1049 12.4313 12.4313 12.7049 12.7049 16.1631 16.1631 k = 0.5015 0.6124 0.2651 ( 1484 PWs) bands (ev): -12.5186 -12.5186 -8.4587 -8.4587 -0.0430 -0.0430 1.1218 1.1218 2.0681 2.0681 2.9884 2.9884 3.5417 3.5417 3.7478 3.7478 5.4338 5.4338 5.8009 5.8009 5.8261 5.8261 6.7527 6.7527 11.1047 11.1047 12.4651 12.4651 12.6635 12.6635 16.1652 16.1652 k = 0.5015 0.6124 0.2651 ( 1484 PWs) bands (ev): -12.5186 -12.5186 -8.4587 -8.4587 -0.0430 -0.0430 1.1218 1.1218 2.0681 2.0681 2.9884 2.9884 3.5417 3.5417 3.7478 3.7478 5.4338 5.4338 5.8009 5.8009 5.8261 5.8261 6.7527 6.7527 11.1047 11.1047 12.4651 12.4651 12.6635 12.6635 16.1652 16.1652 k = 0.4965 0.6064 0.2729 ( 1486 PWs) bands (ev): -12.5192 -12.5192 -8.4575 -8.4575 -0.0420 -0.0420 1.1221 1.1221 2.0670 2.0670 2.9852 2.9852 3.5374 3.5374 3.7547 3.7547 5.4268 5.4268 5.7743 5.7743 5.8595 5.8595 6.7518 6.7518 11.1022 11.1022 12.4395 12.4395 12.6933 12.6933 16.1646 16.1646 k = 0.4916 0.6004 0.2806 ( 1484 PWs) bands (ev): -12.5212 -12.5212 -8.4534 -8.4534 -0.0381 -0.0381 1.1233 1.1233 2.0618 2.0618 2.9726 2.9726 3.5228 3.5228 3.7808 3.7808 5.4052 5.4052 5.7433 5.7433 5.9115 5.9115 6.7488 6.7488 11.0931 11.0931 12.3849 12.3849 12.7625 12.7625 16.1632 16.1632 k = 0.4867 0.5944 0.2883 ( 1486 PWs) bands (ev): -12.5246 -12.5246 -8.4466 -8.4466 -0.0314 -0.0314 1.1253 1.1253 2.0526 2.0526 2.9518 2.9518 3.5037 3.5037 3.8193 3.8193 5.3715 5.3715 5.7183 5.7183 5.9689 5.9689 6.7435 6.7435 11.0774 11.0774 12.3260 12.3260 12.8459 12.8459 16.1611 16.1611 k = 0.4818 0.5883 0.2961 ( 1489 PWs) bands (ev): -12.5293 -12.5293 -8.4371 -8.4371 -0.0218 -0.0218 1.1282 1.1282 2.0392 2.0392 2.9245 2.9245 3.4838 3.4838 3.8647 3.8647 5.3292 5.3292 5.6981 5.6981 6.0299 6.0299 6.7360 6.7360 11.0557 11.0557 12.2708 12.2708 12.9353 12.9353 16.1582 16.1582 k = 0.4768 0.5823 0.3038 ( 1483 PWs) bands (ev): -12.5352 -12.5352 -8.4249 -8.4249 -0.0094 -0.0094 1.1319 1.1319 2.0213 2.0213 2.8929 2.8929 3.4646 3.4646 3.9135 3.9135 5.2814 5.2814 5.6806 5.6806 6.0932 6.0932 6.7265 6.7265 11.0285 11.0285 12.2218 12.2218 13.0276 13.0276 16.1547 16.1547 k = 0.4719 0.5763 0.3116 ( 1487 PWs) bands (ev): -12.5424 -12.5424 -8.4101 -8.4101 0.0058 0.0058 1.1363 1.1363 1.9989 1.9989 2.8591 2.8591 3.4464 3.4464 3.9633 3.9633 5.2305 5.2305 5.6644 5.6644 6.1578 6.1578 6.7151 6.7151 10.9967 10.9967 12.1799 12.1799 13.1209 13.1209 16.1503 16.1503 k = 0.4670 0.5703 0.3193 ( 1492 PWs) bands (ev): -12.5508 -12.5508 -8.3929 -8.3929 0.0235 0.0235 1.1413 1.1413 1.9718 1.9718 2.8247 2.8247 3.4289 3.4289 4.0125 4.0125 5.1781 5.1781 5.6488 5.6488 6.2232 6.2232 6.7020 6.7020 10.9614 10.9614 12.1452 12.1452 13.2142 13.2142 16.1452 16.1452 k = 0.4620 0.5642 0.3271 ( 1495 PWs) bands (ev): -12.5603 -12.5603 -8.3734 -8.3734 0.0438 0.0438 1.1469 1.1469 1.9401 1.9401 2.7915 2.7915 3.4116 3.4116 4.0598 4.0598 5.1255 5.1255 5.6331 5.6331 6.2883 6.2883 6.6877 6.6877 10.9239 10.9239 12.1176 12.1176 13.3062 13.3062 16.1394 16.1394 k = 0.4571 0.5582 0.3348 ( 1495 PWs) bands (ev): -12.5707 -12.5707 -8.3516 -8.3516 0.0664 0.0664 1.1529 1.1529 1.9041 1.9041 2.7604 2.7604 3.3944 3.3944 4.1040 4.1040 5.0734 5.0734 5.6173 5.6173 6.3521 6.3521 6.6730 6.6730 10.8856 10.8856 12.0967 12.0967 13.3963 13.3963 16.1328 16.1328 k = 0.4522 0.5522 0.3426 ( 1497 PWs) bands (ev): -12.5821 -12.5821 -8.3278 -8.3278 0.0913 0.0913 1.1591 1.1591 1.8641 1.8641 2.7322 2.7322 3.3767 3.3767 4.1440 4.1440 5.0225 5.0225 5.6013 5.6013 6.4126 6.4126 6.6597 6.6597 10.8478 10.8478 12.0816 12.0816 13.4838 13.4838 16.1254 16.1254 k = 0.4472 0.5462 0.3503 ( 1497 PWs) bands (ev): -12.5943 -12.5943 -8.3020 -8.3020 0.1182 0.1182 1.1654 1.1654 1.8210 1.8210 2.7071 2.7071 3.3585 3.3585 4.1790 4.1790 4.9730 4.9730 5.5851 5.5851 6.4648 6.4648 6.6526 6.6526 10.8119 10.8119 12.0718 12.0718 13.5680 13.5680 16.1173 16.1173 k = 0.4423 0.5401 0.3580 ( 1498 PWs) bands (ev): -12.6071 -12.6071 -8.2745 -8.2745 0.1469 0.1469 1.1713 1.1713 1.7757 1.7757 2.6854 2.6854 3.3396 3.3396 4.2081 4.2081 4.9255 4.9255 5.5691 5.5691 6.4988 6.4988 6.6616 6.6616 10.7791 10.7791 12.0667 12.0667 13.6484 13.6484 16.1085 16.1085 k = 0.4374 0.5341 0.3658 ( 1496 PWs) bands (ev): -12.6206 -12.6206 -8.2454 -8.2454 0.1770 0.1770 1.1764 1.1764 1.7295 1.7295 2.6669 2.6669 3.3198 3.3198 4.2307 4.2307 4.8801 4.8801 5.5533 5.5533 6.5061 6.5061 6.6952 6.6952 10.7503 10.7503 12.0657 12.0657 13.7247 13.7247 16.0988 16.0988 k = 0.4324 0.5281 0.3735 ( 1496 PWs) bands (ev): -12.6346 -12.6346 -8.2149 -8.2149 0.2081 0.2081 1.1803 1.1803 1.6837 1.6837 2.6513 2.6513 3.2992 3.2992 4.2462 4.2462 4.8369 4.8369 5.5380 5.5380 6.4939 6.4939 6.7462 6.7462 10.7266 10.7266 12.0682 12.0682 13.7965 13.7965 16.0884 16.0884 k = 0.4275 0.5221 0.3813 ( 1491 PWs) bands (ev): -12.6490 -12.6490 -8.1832 -8.1832 0.2398 0.2398 1.1821 1.1821 1.6402 1.6402 2.6382 2.6382 3.2777 3.2777 4.2544 4.2544 4.7960 4.7960 5.5232 5.5232 6.4721 6.4721 6.8047 6.8047 10.7086 10.7086 12.0738 12.0738 13.8636 13.8636 16.0773 16.0773 k = 0.4226 0.5160 0.3890 ( 1490 PWs) bands (ev): -12.6637 -12.6637 -8.1504 -8.1504 0.2714 0.2714 1.1810 1.1810 1.6008 1.6008 2.6274 2.6274 3.2556 3.2556 4.2552 4.2552 4.7574 4.7574 5.5089 5.5089 6.4456 6.4456 6.8659 6.8659 10.6970 10.6970 12.0821 12.0821 13.9259 13.9259 16.0654 16.0654 k = 0.4176 0.5100 0.3968 ( 1488 PWs) bands (ev): -12.6787 -12.6787 -8.1168 -8.1168 0.3022 0.3022 1.1762 1.1762 1.5675 1.5675 2.6184 2.6184 3.2328 3.2328 4.2487 4.2487 4.7209 4.7209 5.4951 5.4951 6.4164 6.4164 6.9281 6.9281 10.6921 10.6921 12.0926 12.0926 13.9831 13.9831 16.0527 16.0527 k = 0.4127 0.5040 0.4045 ( 1488 PWs) bands (ev): -12.6937 -12.6937 -8.0826 -8.0826 0.3312 0.3312 1.1673 1.1673 1.5418 1.5418 2.6107 2.6107 3.2097 3.2097 4.2352 4.2352 4.6864 4.6864 5.4813 5.4813 6.3855 6.3855 6.9902 6.9902 10.6942 10.6942 12.1051 12.1051 14.0353 14.0353 16.0393 16.0393 k = 0.4078 0.4980 0.4122 ( 1484 PWs) bands (ev): -12.7087 -12.7087 -8.0479 -8.0479 0.3573 0.3573 1.1546 1.1546 1.5249 1.5249 2.6042 2.6042 3.1864 3.1864 4.2153 4.2153 4.6539 4.6539 5.4673 5.4673 6.3537 6.3537 7.0518 7.0518 10.7035 10.7035 12.1194 12.1194 14.0826 14.0826 16.0252 16.0252 k = 0.4028 0.4919 0.4200 ( 1486 PWs) bands (ev): -12.7237 -12.7237 -8.0129 -8.0129 0.3792 0.3792 1.1396 1.1396 1.5167 1.5167 2.5982 2.5982 3.1634 3.1634 4.1895 4.1895 4.6232 4.6232 5.4526 5.4526 6.3215 6.3215 7.1125 7.1125 10.7201 10.7201 12.1350 12.1350 14.1251 14.1251 16.0103 16.0103 k = 0.3979 0.4859 0.4277 ( 1486 PWs) bands (ev): -12.7385 -12.7385 -7.9779 -7.9779 0.3954 0.3954 1.1246 1.1246 1.5164 1.5164 2.5925 2.5925 3.1409 3.1409 4.1584 4.1584 4.5944 4.5944 5.4366 5.4366 6.2893 6.2893 7.1722 7.1722 10.7439 10.7439 12.1518 12.1518 14.1629 14.1629 15.9948 15.9948 k = 0.3930 0.4799 0.4355 ( 1484 PWs) bands (ev): -12.7531 -12.7531 -7.9429 -7.9429 0.4046 0.4046 1.1121 1.1121 1.5229 1.5229 2.5867 2.5867 3.1195 3.1195 4.1227 4.1227 4.5676 4.5676 5.4186 5.4186 6.2576 6.2576 7.2308 7.2308 10.7748 10.7748 12.1697 12.1697 14.1964 14.1964 15.9785 15.9785 k = 0.3880 0.4739 0.4432 ( 1483 PWs) bands (ev): -12.7674 -12.7674 -7.9082 -7.9082 0.4057 0.4057 1.1042 1.1042 1.5349 1.5349 2.5804 2.5804 3.0996 3.0996 4.0829 4.0829 4.5429 4.5429 5.3983 5.3983 6.2267 6.2267 7.2880 7.2880 10.8126 10.8126 12.1881 12.1881 14.2257 14.2257 15.9617 15.9617 k = 0.3831 0.4678 0.4510 ( 1481 PWs) bands (ev): -12.7813 -12.7813 -7.8739 -7.8739 0.3984 0.3984 1.1020 1.1020 1.5517 1.5517 2.5733 2.5733 3.0816 3.0816 4.0397 4.0397 4.5205 4.5205 5.3751 5.3751 6.1969 6.1969 7.3438 7.3438 10.8570 10.8570 12.2071 12.2071 14.2512 14.2512 15.9442 15.9442 k = 0.3782 0.4618 0.4587 ( 1481 PWs) bands (ev): -12.7948 -12.7948 -7.8402 -7.8402 0.3832 0.3832 1.1055 1.1055 1.5723 1.5723 2.5652 2.5652 3.0660 3.0660 3.9939 3.9939 4.5004 4.5004 5.3486 5.3486 6.1684 6.1684 7.3981 7.3981 10.9076 10.9076 12.2263 12.2263 14.2733 14.2733 15.9262 15.9262 k = 0.3732 0.4558 0.4665 ( 1479 PWs) bands (ev): -12.8079 -12.8079 -7.8073 -7.8073 0.3609 0.3609 1.1141 1.1141 1.5963 1.5963 2.5560 2.5560 3.0530 3.0530 3.9461 3.9461 4.4827 4.4827 5.3185 5.3185 6.1416 6.1416 7.4508 7.4508 10.9641 10.9641 12.2455 12.2455 14.2922 14.2922 15.9076 15.9076 k = 0.3683 0.4498 0.4742 ( 1478 PWs) bands (ev): -12.8204 -12.8204 -7.7753 -7.7753 0.3331 0.3331 1.1263 1.1263 1.6230 1.6230 2.5457 2.5457 3.0428 3.0428 3.8971 3.8971 4.4674 4.4674 5.2847 5.2847 6.1164 6.1164 7.5019 7.5019 11.0262 11.0262 12.2646 12.2646 14.3084 14.3084 15.8886 15.8886 k = 0.3634 0.4438 0.4819 ( 1476 PWs) bands (ev): -12.8324 -12.8324 -7.7443 -7.7443 0.3013 0.3013 1.1409 1.1409 1.6517 1.6517 2.5348 2.5348 3.0355 3.0355 3.8478 3.8478 4.4544 4.4544 5.2473 5.2473 6.0929 6.0929 7.5512 7.5512 11.0933 11.0933 12.2832 12.2832 14.3223 14.3223 15.8692 15.8692 k = 0.3584 0.4377 0.4897 ( 1478 PWs) bands (ev): -12.8438 -12.8438 -7.7145 -7.7145 0.2668 0.2668 1.1564 1.1564 1.6815 1.6815 2.5238 2.5238 3.0306 3.0306 3.7990 3.7990 4.4438 4.4438 5.2062 5.2062 6.0713 6.0713 7.5988 7.5988 11.1650 11.1650 12.3012 12.3012 14.3343 14.3343 15.8496 15.8496 k = 0.3535 0.4317 0.4974 ( 1480 PWs) bands (ev): -12.8546 -12.8546 -7.6859 -7.6859 0.2308 0.2308 1.1719 1.1719 1.7114 1.7114 2.5136 2.5136 3.0278 3.0278 3.7517 3.7517 4.4354 4.4354 5.1617 5.1617 6.0513 6.0513 7.6445 7.6445 11.2408 11.2408 12.3184 12.3184 14.3447 14.3447 15.8296 15.8296 k = 0.3486 0.4257 0.5052 ( 1486 PWs) bands (ev): -12.8647 -12.8647 -7.6588 -7.6588 0.1943 0.1943 1.1867 1.1867 1.7401 1.7401 2.5053 2.5053 3.0263 3.0263 3.7069 3.7069 4.4291 4.4291 5.1142 5.1142 6.0329 6.0329 7.6884 7.6884 11.3203 11.3203 12.3345 12.3345 14.3541 14.3541 15.8096 15.8096 k = 0.3436 0.4197 0.5129 ( 1486 PWs) bands (ev): -12.8742 -12.8742 -7.6331 -7.6331 0.1581 0.1581 1.2003 1.2003 1.7660 1.7660 2.5001 2.5001 3.0254 3.0254 3.6657 3.6657 4.4248 4.4248 5.0639 5.0639 6.0162 6.0162 7.7303 7.7303 11.4029 11.4029 12.3494 12.3494 14.3629 14.3629 15.7895 15.7895 k = 0.3387 0.4136 0.5207 ( 1488 PWs) bands (ev): -12.8831 -12.8831 -7.6089 -7.6089 0.1227 0.1227 1.2123 1.2123 1.7876 1.7876 2.4994 2.4994 3.0239 3.0239 3.6291 3.6291 4.4224 4.4224 5.0114 5.0114 6.0009 6.0009 7.7703 7.7703 11.4880 11.4880 12.3630 12.3630 14.3712 14.3712 15.7695 15.7695 k = 0.3338 0.4076 0.5284 ( 1490 PWs) bands (ev): -12.8913 -12.8913 -7.5864 -7.5864 0.0887 0.0887 1.2227 1.2227 1.8035 1.8035 2.5040 2.5040 3.0208 3.0208 3.5983 3.5983 4.4215 4.4215 4.9571 4.9571 5.9872 5.9872 7.8084 7.8084 11.5752 11.5752 12.3753 12.3753 14.3797 14.3797 15.7496 15.7496 k = 0.3338 0.4076 0.5284 ( 1490 PWs) bands (ev): -12.8913 -12.8913 -7.5864 -7.5864 0.0887 0.0887 1.2227 1.2227 1.8035 1.8035 2.5040 2.5040 3.0208 3.0208 3.5983 3.5983 4.4215 4.4215 4.9571 4.9571 5.9872 5.9872 7.8084 7.8084 11.5752 11.5752 12.3753 12.3753 14.3797 14.3797 15.7496 15.7496 k = 0.3267 0.3989 0.5284 ( 1488 PWs) bands (ev): -12.8853 -12.8853 -7.6084 -7.6084 0.0725 0.0725 1.2320 1.2320 1.8199 1.8199 2.5182 2.5182 3.0195 3.0195 3.5828 3.5828 4.4512 4.4512 4.9761 4.9761 5.9565 5.9565 7.8073 7.8073 11.6586 11.6586 12.3414 12.3414 14.2944 14.2944 15.7679 15.7679 k = 0.3196 0.3903 0.5284 ( 1486 PWs) bands (ev): -12.8790 -12.8790 -7.6314 -7.6314 0.0583 0.0583 1.2398 1.2398 1.8314 1.8314 2.5389 2.5389 3.0156 3.0156 3.5699 3.5699 4.4814 4.4814 4.9954 4.9954 5.9270 5.9270 7.8057 7.8057 11.7345 11.7345 12.3143 12.3143 14.2054 14.2054 15.7890 15.7890 k = 0.3125 0.3816 0.5284 ( 1488 PWs) bands (ev): -12.8725 -12.8725 -7.6554 -7.6554 0.0462 0.0462 1.2462 1.2462 1.8377 1.8377 2.5657 2.5657 3.0090 3.0090 3.5604 3.5604 4.5120 4.5120 5.0148 5.0148 5.8989 5.8989 7.8034 7.8034 11.7977 11.7977 12.2983 12.2983 14.1132 14.1132 15.8128 15.8128 k = 0.3054 0.3729 0.5284 ( 1490 PWs) bands (ev): -12.8658 -12.8658 -7.6802 -7.6802 0.0363 0.0363 1.2514 1.2514 1.8392 1.8392 2.5978 2.5978 2.9999 2.9999 3.5547 3.5547 4.5428 4.5428 5.0344 5.0344 5.8724 5.8724 7.8005 7.8005 11.8412 11.8412 12.2996 12.2996 14.0184 14.0184 15.8392 15.8392 k = 0.2983 0.3642 0.5284 ( 1490 PWs) bands (ev): -12.8589 -12.8589 -7.7058 -7.7058 0.0286 0.0286 1.2554 1.2554 1.8363 1.8363 2.6336 2.6336 2.9890 2.9890 3.5530 3.5530 4.5739 4.5739 5.0541 5.0541 5.8477 5.8477 7.7969 7.7969 11.8599 11.8599 12.3224 12.3224 13.9216 13.9216 15.8680 15.8680 k = 0.2912 0.3556 0.5284 ( 1492 PWs) bands (ev): -12.8519 -12.8519 -7.7324 -7.7324 0.0233 0.0233 1.2583 1.2583 1.8296 1.8296 2.6714 2.6714 2.9772 2.9772 3.5557 3.5557 4.6052 4.6052 5.0736 5.0736 5.8250 5.8250 7.7927 7.7927 11.8545 11.8545 12.3652 12.3652 13.8232 13.8232 15.8992 15.8992 k = 0.2841 0.3469 0.5284 ( 1488 PWs) bands (ev): -12.8446 -12.8446 -7.7596 -7.7596 0.0202 0.0202 1.2603 1.2603 1.8198 1.8198 2.7084 2.7084 2.9663 2.9663 3.5629 3.5629 4.6367 4.6367 5.0928 5.0928 5.8047 5.8047 7.7877 7.7877 11.8306 11.8306 12.4214 12.4214 13.7239 13.7239 15.9328 15.9328 k = 0.2770 0.3382 0.5284 ( 1486 PWs) bands (ev): -12.8372 -12.8372 -7.7877 -7.7877 0.0195 0.0195 1.2614 1.2614 1.8075 1.8075 2.7412 2.7412 2.9592 2.9592 3.5746 3.5746 4.6681 4.6681 5.1113 5.1113 5.7873 5.7873 7.7821 7.7821 11.7941 11.7941 12.4843 12.4843 13.6241 13.6241 15.9685 15.9685 k = 0.2698 0.3296 0.5284 ( 1486 PWs) bands (ev): -12.8297 -12.8297 -7.8164 -7.8164 0.0210 0.0210 1.2617 1.2617 1.7933 1.7933 2.7647 2.7647 2.9602 2.9602 3.5910 3.5910 4.6996 4.6996 5.1287 5.1287 5.7731 5.7731 7.7757 7.7757 11.7490 11.7490 12.5489 12.5489 13.5245 13.5245 16.0065 16.0065 k = 0.2627 0.3209 0.5284 ( 1486 PWs) bands (ev): -12.8221 -12.8221 -7.8457 -7.8457 0.0247 0.0247 1.2613 1.2613 1.7776 1.7776 2.7751 2.7751 2.9727 2.9727 3.6122 3.6122 4.7309 4.7309 5.1446 5.1446 5.7628 5.7628 7.7687 7.7687 11.6976 11.6976 12.6121 12.6121 13.4255 13.4255 16.0466 16.0466 k = 0.2556 0.3122 0.5284 ( 1488 PWs) bands (ev): -12.8144 -12.8144 -7.8756 -7.8756 0.0305 0.0305 1.2602 1.2602 1.7609 1.7609 2.7727 2.7727 2.9959 2.9959 3.6382 3.6382 4.7620 4.7620 5.1584 5.1584 5.7571 5.7571 7.7609 7.7609 11.6412 11.6412 12.6718 12.6718 13.3277 13.3277 16.0888 16.0888 k = 0.2485 0.3035 0.5284 ( 1488 PWs) bands (ev): -12.8066 -12.8066 -7.9060 -7.9060 0.0382 0.0382 1.2584 1.2584 1.7437 1.7437 2.7616 2.7616 3.0252 3.0252 3.6690 3.6690 4.7926 4.7926 5.1696 5.1696 5.7566 5.7566 7.7524 7.7524 11.5805 11.5805 12.7265 12.7265 13.2317 13.2317 16.1331 16.1331 k = 0.2414 0.2949 0.5284 ( 1492 PWs) bands (ev): -12.7987 -12.7987 -7.9368 -7.9368 0.0477 0.0477 1.2561 1.2561 1.7262 1.7262 2.7458 2.7458 3.0565 3.0565 3.7046 3.7046 4.8227 4.8227 5.1777 5.1777 5.7619 5.7619 7.7431 7.7431 11.5158 11.5158 12.7749 12.7749 13.1382 13.1382 16.1795 16.1795 k = 0.2343 0.2862 0.5284 ( 1496 PWs) bands (ev): -12.7907 -12.7907 -7.9679 -7.9679 0.0588 0.0588 1.2531 1.2531 1.7090 1.7090 2.7279 2.7279 3.0872 3.0872 3.7447 3.7447 4.8518 4.8518 5.1826 5.1826 5.7736 5.7736 7.7333 7.7333 11.4474 11.4474 12.8158 12.8158 13.0484 13.0484 16.2279 16.2279 k = 0.2272 0.2775 0.5284 ( 1494 PWs) bands (ev): -12.7827 -12.7827 -7.9993 -7.9993 0.0712 0.0712 1.2495 1.2495 1.6925 1.6925 2.7092 2.7092 3.1161 3.1161 3.7888 3.7888 4.8798 4.8798 5.1843 5.1843 5.7916 5.7916 7.7227 7.7227 11.3754 11.3754 12.8450 12.8450 12.9662 12.9662 16.2783 16.2783 k = 0.2201 0.2688 0.5284 ( 1494 PWs) bands (ev): -12.7747 -12.7747 -8.0309 -8.0309 0.0847 0.0847 1.2454 1.2454 1.6770 1.6770 2.6907 2.6907 3.1423 3.1423 3.8366 3.8366 4.9059 4.9059 5.1836 5.1836 5.8161 5.8161 7.7115 7.7115 11.3000 11.3000 12.8368 12.8368 12.9173 12.9173 16.3306 16.3306 k = 0.2130 0.2602 0.5284 ( 1492 PWs) bands (ev): -12.7667 -12.7667 -8.0626 -8.0626 0.0990 0.0990 1.2405 1.2405 1.6630 1.6630 2.6728 2.6728 3.1659 3.1659 3.8873 3.8873 4.9293 4.9293 5.1814 5.1814 5.8467 5.8467 7.6998 7.6998 11.2213 11.2213 12.7717 12.7717 12.9213 12.9213 16.3848 16.3848 k = 0.2059 0.2515 0.5284 ( 1498 PWs) bands (ev): -12.7587 -12.7587 -8.0943 -8.0943 0.1137 0.1137 1.2350 1.2350 1.6510 1.6510 2.6560 2.6560 3.1869 3.1869 3.9402 3.9402 4.9490 4.9490 5.1792 5.1792 5.8830 5.8830 7.6874 7.6874 11.1397 11.1397 12.6959 12.6959 12.9320 12.9320 16.4407 16.4407 k = 0.1988 0.2428 0.5284 ( 1500 PWs) bands (ev): -12.7507 -12.7507 -8.1260 -8.1260 0.1286 0.1286 1.2288 1.2288 1.6415 1.6415 2.6405 2.6405 3.2054 3.2054 3.9948 3.9948 4.9633 4.9633 5.1791 5.1791 5.9243 5.9243 7.6745 7.6745 11.0555 11.0555 12.6207 12.6207 12.9382 12.9382 16.4983 16.4983 k = 0.1917 0.2342 0.5284 ( 1500 PWs) bands (ev): -12.7428 -12.7428 -8.1575 -8.1575 0.1433 0.1433 1.2220 1.2220 1.6349 1.6349 2.6264 2.6264 3.2216 3.2216 4.0502 4.0502 4.9708 4.9708 5.1830 5.1830 5.9701 5.9701 7.6611 7.6611 10.9690 10.9690 12.5477 12.5477 12.9384 12.9384 16.5575 16.5575 k = 0.1846 0.2255 0.5284 ( 1504 PWs) bands (ev): -12.7350 -12.7350 -8.1887 -8.1887 0.1574 0.1574 1.2144 1.2144 1.6314 1.6314 2.6139 2.6139 3.2360 3.2360 4.1058 4.1058 4.9707 4.9707 5.1921 5.1921 6.0198 6.0198 7.6474 7.6474 10.8808 10.8808 12.4771 12.4771 12.9326 12.9326 16.6182 16.6182 k = 0.1775 0.2168 0.5284 ( 1502 PWs) bands (ev): -12.7272 -12.7272 -8.2196 -8.2196 0.1707 0.1707 1.2064 1.2064 1.6315 1.6315 2.6029 2.6029 3.2486 3.2486 4.1609 4.1609 4.9638 4.9638 5.2064 5.2064 6.0729 6.0729 7.6332 7.6332 10.7914 10.7914 12.4090 12.4090 12.9211 12.9211 16.6802 16.6802 k = 0.1704 0.2081 0.5284 ( 1507 PWs) bands (ev): -12.7196 -12.7196 -8.2501 -8.2501 0.1827 0.1827 1.1978 1.1978 1.6352 1.6352 2.5936 2.5936 3.2597 3.2597 4.2149 4.2149 4.9515 4.9515 5.2246 5.2246 6.1287 6.1287 7.6188 7.6188 10.7014 10.7014 12.3428 12.3428 12.9043 12.9043 16.7433 16.7433 k = 0.1633 0.1995 0.5284 ( 1504 PWs) bands (ev): -12.7120 -12.7120 -8.2801 -8.2801 0.1932 0.1932 1.1891 1.1891 1.6427 1.6427 2.5861 2.5861 3.2695 3.2695 4.2669 4.2669 4.9359 4.9359 5.2457 5.2457 6.1866 6.1866 7.6041 7.6041 10.6115 10.6115 12.2783 12.2783 12.8828 12.8828 16.8074 16.8074 k = 0.1562 0.1908 0.5284 ( 1504 PWs) bands (ev): -12.7046 -12.7046 -8.3095 -8.3095 0.2019 0.2019 1.1803 1.1803 1.6540 1.6540 2.5804 2.5804 3.2781 3.2781 4.3159 4.3159 4.9188 4.9188 5.2685 5.2685 6.2460 6.2460 7.5892 7.5892 10.5224 10.5224 12.2150 12.2150 12.8574 12.8574 16.8723 16.8723 k = 0.1491 0.1821 0.5284 ( 1504 PWs) bands (ev): -12.6974 -12.6974 -8.3382 -8.3382 0.2088 0.2088 1.1716 1.1716 1.6688 1.6688 2.5765 2.5765 3.2858 3.2858 4.3607 4.3607 4.9023 4.9023 5.2922 5.2922 6.3064 6.3064 7.5743 7.5743 10.4348 10.4348 12.1524 12.1524 12.8286 12.8286 16.9378 16.9378 k = 0.1420 0.1734 0.5284 ( 1504 PWs) bands (ev): -12.6904 -12.6904 -8.3662 -8.3662 0.2136 0.2136 1.1632 1.1632 1.6871 1.6871 2.5745 2.5745 3.2926 3.2926 4.3995 4.3995 4.8883 4.8883 5.3163 5.3163 6.3672 6.3672 7.5593 7.5593 10.3495 10.3495 12.0901 12.0901 12.7973 12.7973 17.0036 17.0036 k = 0.1349 0.1648 0.5284 ( 1502 PWs) bands (ev): -12.6836 -12.6836 -8.3933 -8.3933 0.2164 0.2164 1.1552 1.1552 1.7084 1.7084 2.5745 2.5745 3.2987 3.2987 4.4304 4.4304 4.8793 4.8793 5.3405 5.3405 6.4275 6.4275 7.5444 7.5444 10.2673 10.2673 12.0276 12.0276 12.7641 12.7641 17.0695 17.0695 k = 0.1278 0.1561 0.5284 ( 1502 PWs) bands (ev): -12.6770 -12.6770 -8.4195 -8.4195 0.2171 0.2171 1.1478 1.1478 1.7323 1.7323 2.5765 2.5765 3.3040 3.3040 4.4511 4.4511 4.8777 4.8777 5.3645 5.3645 6.4869 6.4869 7.5296 7.5296 10.1891 10.1891 11.9646 11.9646 12.7298 12.7298 17.1352 17.1352 k = 0.1207 0.1474 0.5284 ( 1502 PWs) bands (ev): -12.6706 -12.6706 -8.4448 -8.4448 0.2161 0.2161 1.1410 1.1410 1.7585 1.7585 2.5808 2.5808 3.3088 3.3088 4.4601 4.4601 4.8852 4.8852 5.3880 5.3880 6.5445 6.5445 7.5150 7.5150 10.1155 10.1155 11.9005 11.9005 12.6951 12.6951 17.2005 17.2005 k = 0.1136 0.1388 0.5284 ( 1494 PWs) bands (ev): -12.6645 -12.6645 -8.4690 -8.4690 0.2133 0.2133 1.1349 1.1349 1.7863 1.7863 2.5875 2.5875 3.3132 3.3132 4.4571 4.4571 4.9022 4.9022 5.4109 5.4109 6.5998 6.5998 7.5007 7.5007 10.0475 10.0475 11.8353 11.8353 12.6607 12.6607 17.2651 17.2651 k = 0.1065 0.1301 0.5284 ( 1494 PWs) bands (ev): -12.6586 -12.6586 -8.4921 -8.4921 0.2090 0.2090 1.1294 1.1294 1.8151 1.8151 2.5965 2.5965 3.3171 3.3171 4.4436 4.4436 4.9272 4.9272 5.4330 5.4330 6.6519 6.6519 7.4868 7.4868 9.9857 9.9857 11.7686 11.7686 12.6270 12.6270 17.3285 17.3285 k = 0.0994 0.1214 0.5284 ( 1498 PWs) bands (ev): -12.6531 -12.6531 -8.5140 -8.5140 0.2035 0.2035 1.1245 1.1245 1.8444 1.8444 2.6082 2.6082 3.3206 3.3206 4.4218 4.4218 4.9581 4.9581 5.4543 5.4543 6.7003 6.7003 7.4733 7.4733 9.9310 9.9310 11.7005 11.7005 12.5947 12.5947 17.3905 17.3905 k = 0.0923 0.1127 0.5284 ( 1500 PWs) bands (ev): -12.6479 -12.6479 -8.5347 -8.5347 0.1971 0.1971 1.1202 1.1202 1.8734 1.8734 2.6224 2.6224 3.3239 3.3239 4.3940 4.3940 4.9929 4.9929 5.4747 5.4747 6.7444 6.7444 7.4604 7.4604 9.8838 9.8838 11.6310 11.6310 12.5640 12.5640 17.4508 17.4508 k = 0.0852 0.1041 0.5284 ( 1500 PWs) bands (ev): -12.6429 -12.6429 -8.5540 -8.5540 0.1899 0.1899 1.1165 1.1165 1.9017 1.9017 2.6393 2.6393 3.3269 3.3269 4.3618 4.3618 5.0297 5.0297 5.4941 5.4941 6.7837 6.7837 7.4480 7.4480 9.8448 9.8448 11.5603 11.5603 12.5353 12.5353 17.5088 17.5088 k = 0.0781 0.0954 0.5284 ( 1500 PWs) bands (ev): -12.6383 -12.6383 -8.5720 -8.5720 0.1824 0.1824 1.1132 1.1132 1.9286 1.9286 2.6588 2.6588 3.3298 3.3298 4.3268 4.3268 5.0672 5.0672 5.5123 5.5123 6.8178 6.8178 7.4364 7.4364 9.8141 9.8141 11.4889 11.4889 12.5087 12.5087 17.5643 17.5643 k = 0.0710 0.0867 0.5284 ( 1502 PWs) bands (ev): -12.6341 -12.6341 -8.5886 -8.5886 0.1746 0.1746 1.1104 1.1104 1.9537 1.9537 2.6806 2.6806 3.3325 3.3325 4.2900 4.2900 5.1044 5.1044 5.5294 5.5294 6.8465 6.8465 7.4254 7.4254 9.7920 9.7920 11.4172 11.4172 12.4845 12.4845 17.6169 17.6169 k = 0.0639 0.0781 0.5284 ( 1502 PWs) bands (ev): -12.6302 -12.6302 -8.6038 -8.6038 0.1668 0.1668 1.1080 1.1080 1.9766 1.9766 2.7043 2.7043 3.3352 3.3352 4.2525 4.2525 5.1405 5.1405 5.5453 5.5453 6.8700 6.8700 7.4154 7.4154 9.7781 9.7781 11.3460 11.3460 12.4627 12.4627 17.6661 17.6661 k = 0.0568 0.0694 0.5284 ( 1502 PWs) bands (ev): -12.6267 -12.6267 -8.6175 -8.6175 0.1593 0.1593 1.1060 1.1060 1.9970 1.9970 2.7293 2.7293 3.3378 3.3378 4.2150 4.2150 5.1747 5.1747 5.5598 5.5598 6.8884 6.8884 7.4062 7.4062 9.7719 9.7719 11.2761 11.2761 12.4433 12.4433 17.7116 17.7116 k = 0.0497 0.0607 0.5284 ( 1504 PWs) bands (ev): -12.6236 -12.6236 -8.6296 -8.6296 0.1523 0.1523 1.1043 1.1043 2.0149 2.0149 2.7550 2.7550 3.3404 3.3404 4.1785 4.1785 5.2066 5.2066 5.5730 5.5730 6.9021 6.9021 7.3979 7.3979 9.7727 9.7727 11.2086 11.2086 12.4263 12.4263 17.7528 17.7528 k = 0.0426 0.0520 0.5284 ( 1500 PWs) bands (ev): -12.6209 -12.6209 -8.6402 -8.6402 0.1459 0.1459 1.1029 1.1029 2.0302 2.0302 2.7805 2.7805 3.3430 3.3430 4.1438 4.1438 5.2354 5.2354 5.5847 5.5847 6.9117 6.9117 7.3906 7.3906 9.7792 9.7792 11.1446 11.1446 12.4117 12.4117 17.7896 17.7896 k = 0.0355 0.0434 0.5284 ( 1500 PWs) bands (ev): -12.6186 -12.6186 -8.6492 -8.6492 0.1402 0.1402 1.1018 1.1018 2.0429 2.0429 2.8046 2.8046 3.3455 3.3455 4.1119 4.1119 5.2608 5.2608 5.5949 5.5949 6.9180 6.9180 7.3844 7.3844 9.7899 9.7899 11.0858 11.0858 12.3994 12.3994 17.8213 17.8213 k = 0.0284 0.0347 0.5284 ( 1494 PWs) bands (ev): -12.6167 -12.6167 -8.6566 -8.6566 0.1354 0.1354 1.1009 1.1009 2.0532 2.0532 2.8264 2.8264 3.3479 3.3479 4.0837 4.0837 5.2822 5.2822 5.6035 5.6035 6.9218 6.9218 7.3793 7.3793 9.8029 9.8029 11.0337 11.0337 12.3895 12.3895 17.8478 17.8478 k = 0.0213 0.0260 0.5284 ( 1494 PWs) bands (ev): -12.6152 -12.6152 -8.6624 -8.6624 0.1316 0.1316 1.1002 1.1002 2.0610 2.0610 2.8448 2.8448 3.3500 3.3500 4.0604 4.0604 5.2993 5.2993 5.6103 5.6103 6.9237 6.9237 7.3752 7.3752 9.8162 9.8162 10.9903 10.9903 12.3818 12.3818 17.8688 17.8688 k = 0.0142 0.0173 0.5284 ( 1494 PWs) bands (ev): -12.6141 -12.6141 -8.6666 -8.6666 0.1288 0.1288 1.0997 1.0997 2.0665 2.0665 2.8587 2.8587 3.3518 3.3518 4.0428 4.0428 5.3117 5.3117 5.6152 5.6152 6.9245 6.9245 7.3723 7.3723 9.8277 9.8277 10.9574 10.9574 12.3763 12.3763 17.8839 17.8839 k = 0.0071 0.0087 0.5284 ( 1500 PWs) bands (ev): -12.6135 -12.6135 -8.6691 -8.6691 0.1271 0.1271 1.0994 1.0994 2.0697 2.0697 2.8674 2.8674 3.3529 3.3529 4.0319 4.0319 5.3193 5.3193 5.6182 5.6182 6.9248 6.9248 7.3706 7.3706 9.8355 9.8355 10.9369 10.9369 12.3730 12.3730 17.8930 17.8930 k = 0.0000 0.0000 0.5284 ( 1502 PWs) bands (ev): -12.6133 -12.6133 -8.6699 -8.6699 0.1265 0.1265 1.0993 1.0993 2.0708 2.0708 2.8704 2.8704 3.3533 3.3533 4.0282 4.0282 5.3218 5.3218 5.6192 5.6192 6.9248 6.9248 7.3700 7.3700 9.8382 9.8382 10.9299 10.9299 12.3719 12.3719 17.8961 17.8961 k = 0.0000 0.0000 0.5284 ( 1502 PWs) bands (ev): -12.6133 -12.6133 -8.6699 -8.6699 0.1265 0.1265 1.0993 1.0993 2.0708 2.0708 2.8704 2.8704 3.3533 3.3533 4.0282 4.0282 5.3218 5.3218 5.6192 5.6192 6.9248 6.9248 7.3700 7.3700 9.8382 9.8382 10.9299 10.9299 12.3719 12.3719 17.8961 17.8961 k = 0.0086-0.0071 0.5284 ( 1498 PWs) bands (ev): -12.6132 -12.6132 -8.6697 -8.6697 0.1265 0.1265 1.0996 1.0996 2.0706 2.0706 2.8703 2.8703 3.3529 3.3529 4.0282 4.0282 5.3204 5.3204 5.6179 5.6179 6.9251 6.9251 7.3718 7.3718 9.8393 9.8393 10.9323 10.9323 12.3722 12.3722 17.8947 17.8947 k = 0.0172-0.0141 0.5284 ( 1500 PWs) bands (ev): -12.6130 -12.6130 -8.6691 -8.6691 0.1263 0.1263 1.1005 1.1005 2.0701 2.0701 2.8702 2.8702 3.3517 3.3517 4.0282 4.0282 5.3162 5.3162 5.6138 5.6138 6.9259 6.9259 7.3770 7.3770 9.8426 9.8426 10.9393 10.9393 12.3732 12.3732 17.8904 17.8904 k = 0.0259-0.0212 0.5284 ( 1498 PWs) bands (ev): -12.6127 -12.6127 -8.6682 -8.6682 0.1260 0.1260 1.1018 1.1018 2.0692 2.0692 2.8701 2.8701 3.3497 3.3497 4.0282 4.0282 5.3093 5.3093 5.6070 5.6070 6.9272 6.9272 7.3855 7.3855 9.8482 9.8482 10.9511 10.9511 12.3749 12.3749 17.8831 17.8831 k = 0.0345-0.0282 0.5284 ( 1496 PWs) bands (ev): -12.6122 -12.6122 -8.6668 -8.6668 0.1256 0.1256 1.1037 1.1037 2.0680 2.0680 2.8699 2.8699 3.3469 3.3469 4.0281 4.0281 5.2999 5.2999 5.5978 5.5978 6.9290 6.9290 7.3971 7.3971 9.8559 9.8559 10.9674 10.9674 12.3773 12.3773 17.8729 17.8729 k = 0.0431-0.0353 0.5284 ( 1496 PWs) bands (ev): -12.6117 -12.6117 -8.6651 -8.6651 0.1250 0.1250 1.1061 1.1061 2.0664 2.0664 2.8697 2.8697 3.3433 3.3433 4.0281 4.0281 5.2883 5.2883 5.5863 5.5863 6.9311 6.9311 7.4114 7.4114 9.8660 9.8660 10.9881 10.9881 12.3803 12.3803 17.8597 17.8597 k = 0.0517-0.0424 0.5284 ( 1498 PWs) bands (ev): -12.6109 -12.6109 -8.6630 -8.6630 0.1243 0.1243 1.1090 1.1090 2.0645 2.0645 2.8695 2.8695 3.3389 3.3389 4.0280 4.0280 5.2746 5.2746 5.5727 5.5727 6.9334 6.9334 7.4280 7.4280 9.8783 9.8783 11.0132 11.0132 12.3840 12.3840 17.8432 17.8432 k = 0.0603-0.0494 0.5284 ( 1496 PWs) bands (ev): -12.6101 -12.6101 -8.6606 -8.6606 0.1235 0.1235 1.1124 1.1124 2.0623 2.0623 2.8692 2.8692 3.3338 3.3338 4.0279 4.0279 5.2591 5.2591 5.5573 5.5573 6.9360 6.9360 7.4464 7.4464 9.8930 9.8930 11.0424 11.0424 12.3884 12.3884 17.8235 17.8235 k = 0.0690-0.0565 0.5284 ( 1494 PWs) bands (ev): -12.6092 -12.6092 -8.6578 -8.6578 0.1226 0.1226 1.1163 1.1163 2.0597 2.0597 2.8690 2.8690 3.3280 3.3280 4.0277 4.0277 5.2423 5.2423 5.5403 5.5403 6.9386 6.9386 7.4661 7.4661 9.9102 9.9102 11.0755 11.0755 12.3935 12.3935 17.8004 17.8004 k = 0.0776-0.0635 0.5284 ( 1494 PWs) bands (ev): -12.6081 -12.6081 -8.6547 -8.6547 0.1215 0.1215 1.1206 1.1206 2.0568 2.0568 2.8688 2.8688 3.3215 3.3215 4.0275 4.0275 5.2243 5.2243 5.5220 5.5220 6.9412 6.9412 7.4866 7.4866 9.9297 9.9297 11.1124 11.1124 12.3994 12.3994 17.7737 17.7737 k = 0.0862-0.0706 0.5284 ( 1502 PWs) bands (ev): -12.6069 -12.6069 -8.6513 -8.6513 0.1203 0.1203 1.1253 1.1253 2.0536 2.0536 2.8687 2.8687 3.3143 3.3143 4.0272 4.0272 5.2055 5.2055 5.5028 5.5028 6.9437 6.9437 7.5074 7.5074 9.9517 9.9517 11.1527 11.1527 12.4059 12.4059 17.7434 17.7434 k = 0.0948-0.0776 0.5284 ( 1502 PWs) bands (ev): -12.6056 -12.6056 -8.6475 -8.6475 0.1189 0.1189 1.1303 1.1303 2.0501 2.0501 2.8688 2.8688 3.3065 3.3065 4.0269 4.0269 5.1862 5.1862 5.4829 5.4829 6.9459 6.9459 7.5279 7.5279 9.9761 9.9761 11.1963 11.1963 12.4132 12.4132 17.7093 17.7093 k = 0.1034-0.0847 0.5284 ( 1502 PWs) bands (ev): -12.6042 -12.6042 -8.6435 -8.6435 0.1175 0.1175 1.1357 1.1357 2.0463 2.0463 2.8689 2.8689 3.2982 3.2982 4.0264 4.0264 5.1667 5.1667 5.4627 5.4627 6.9478 6.9478 7.5477 7.5477 10.0031 10.0031 11.2428 11.2428 12.4213 12.4213 17.6714 17.6714 k = 0.1121-0.0918 0.5284 ( 1498 PWs) bands (ev): -12.6026 -12.6026 -8.6392 -8.6392 0.1158 0.1158 1.1414 1.1414 2.0423 2.0423 2.8692 2.8692 3.2893 3.2893 4.0258 4.0258 5.1472 5.1472 5.4424 5.4424 6.9494 6.9494 7.5663 7.5663 10.0324 10.0324 11.2920 11.2920 12.4302 12.4302 17.6297 17.6297 k = 0.1207-0.0988 0.5284 ( 1498 PWs) bands (ev): -12.6010 -12.6010 -8.6347 -8.6347 0.1140 0.1140 1.1474 1.1474 2.0380 2.0380 2.8698 2.8698 3.2799 3.2799 4.0251 4.0251 5.1280 5.1280 5.4222 5.4222 6.9506 6.9506 7.5833 7.5833 10.0640 10.0640 11.3435 11.3435 12.4398 12.4398 17.5841 17.5841 k = 0.1293-0.1059 0.5284 ( 1498 PWs) bands (ev): -12.5993 -12.5993 -8.6299 -8.6299 0.1121 0.1121 1.1535 1.1535 2.0335 2.0335 2.8706 2.8706 3.2701 3.2701 4.0243 4.0243 5.1092 5.1092 5.4026 5.4026 6.9512 6.9512 7.5983 7.5983 10.0978 10.0978 11.3970 11.3970 12.4502 12.4502 17.5347 17.5347 k = 0.1379-0.1129 0.5284 ( 1498 PWs) bands (ev): -12.5975 -12.5975 -8.6249 -8.6249 0.1100 0.1100 1.1599 1.1599 2.0287 2.0287 2.8716 2.8716 3.2600 3.2600 4.0233 4.0233 5.0910 5.0910 5.3836 5.3836 6.9514 6.9514 7.6111 7.6111 10.1337 10.1337 11.4522 11.4522 12.4614 12.4614 17.4816 17.4816 k = 0.1466-0.1200 0.5284 ( 1498 PWs) bands (ev): -12.5955 -12.5955 -8.6198 -8.6198 0.1077 0.1077 1.1663 1.1663 2.0239 2.0239 2.8730 2.8730 3.2497 3.2497 4.0221 4.0221 5.0735 5.0735 5.3655 5.3655 6.9510 6.9510 7.6212 7.6212 10.1715 10.1715 11.5087 11.5087 12.4734 12.4734 17.4251 17.4251 k = 0.1552-0.1271 0.5284 ( 1504 PWs) bands (ev): -12.5935 -12.5935 -8.6144 -8.6144 0.1053 0.1053 1.1728 1.1728 2.0188 2.0188 2.8747 2.8747 3.2392 3.2392 4.0206 4.0206 5.0569 5.0569 5.3486 5.3486 6.9500 6.9500 7.6284 7.6284 10.2110 10.2110 11.5663 11.5663 12.4861 12.4861 17.3652 17.3652 k = 0.1638-0.1341 0.5284 ( 1502 PWs) bands (ev): -12.5915 -12.5915 -8.6089 -8.6089 0.1026 0.1026 1.1793 1.1793 2.0137 2.0137 2.8768 2.8768 3.2286 3.2286 4.0190 4.0190 5.0413 5.0413 5.3331 5.3331 6.9485 6.9485 7.6327 7.6327 10.2519 10.2519 11.6246 11.6246 12.4995 12.4995 17.3025 17.3025 k = 0.1724-0.1412 0.5284 ( 1502 PWs) bands (ev): -12.5893 -12.5893 -8.6033 -8.6033 0.0998 0.0998 1.1857 1.1857 2.0086 2.0086 2.8793 2.8793 3.2182 3.2182 4.0171 4.0171 5.0267 5.0267 5.3190 5.3190 6.9464 6.9464 7.6338 7.6338 10.2940 10.2940 11.6832 11.6832 12.5136 12.5136 17.2372 17.2372 k = 0.1810-0.1482 0.5284 ( 1500 PWs) bands (ev): -12.5871 -12.5871 -8.5976 -8.5976 0.0969 0.0969 1.1920 1.1920 2.0034 2.0034 2.8823 2.8823 3.2080 3.2080 4.0149 4.0149 5.0132 5.0132 5.3065 5.3065 6.9437 6.9437 7.6316 7.6316 10.3370 10.3370 11.7418 11.7418 12.5283 12.5283 17.1698 17.1698 k = 0.1897-0.1553 0.5284 ( 1496 PWs) bands (ev): -12.5848 -12.5848 -8.5918 -8.5918 0.0937 0.0937 1.1982 1.1982 1.9982 1.9982 2.8856 2.8856 3.1981 3.1981 4.0125 4.0125 5.0009 5.0009 5.2958 5.2958 6.9405 6.9405 7.6261 7.6261 10.3806 10.3806 11.8000 11.8000 12.5436 12.5436 17.1008 17.1008 k = 0.1983-0.1624 0.5284 ( 1492 PWs) bands (ev): -12.5824 -12.5824 -8.5859 -8.5859 0.0904 0.0904 1.2041 1.2041 1.9931 1.9931 2.8893 2.8893 3.1888 3.1888 4.0097 4.0097 4.9897 4.9897 5.2869 5.2869 6.9367 6.9367 7.6171 7.6171 10.4245 10.4245 11.8576 11.8576 12.5593 12.5593 17.0307 17.0307 k = 0.2069-0.1694 0.5284 ( 1490 PWs) bands (ev): -12.5800 -12.5800 -8.5800 -8.5800 0.0868 0.0868 1.2098 1.2098 1.9882 1.9882 2.8934 2.8934 3.1801 3.1801 4.0065 4.0065 4.9798 4.9798 5.2799 5.2799 6.9323 6.9323 7.6048 7.6048 10.4683 10.4683 11.9142 11.9142 12.5754 12.5754 16.9601 16.9601 k = 0.2155-0.1765 0.5284 ( 1492 PWs) bands (ev): -12.5776 -12.5776 -8.5741 -8.5741 0.0831 0.0831 1.2150 1.2150 1.9834 1.9834 2.8977 2.8977 3.1723 3.1723 4.0030 4.0030 4.9711 4.9711 5.2749 5.2749 6.9275 6.9275 7.5890 7.5890 10.5118 10.5118 11.9694 11.9694 12.5916 12.5916 16.8896 16.8896 k = 0.2241-0.1835 0.5284 ( 1492 PWs) bands (ev): -12.5751 -12.5751 -8.5682 -8.5682 0.0792 0.0792 1.2198 1.2198 1.9789 1.9789 2.9023 2.9023 3.1657 3.1657 3.9992 3.9992 4.9637 4.9637 5.2719 5.2719 6.9221 6.9221 7.5699 7.5699 10.5547 10.5547 12.0229 12.0229 12.6079 12.6079 16.8197 16.8197 k = 0.2328-0.1906 0.5284 ( 1492 PWs) bands (ev): -12.5726 -12.5726 -8.5623 -8.5623 0.0751 0.0751 1.2241 1.2241 1.9747 1.9747 2.9071 2.9071 3.1603 3.1603 3.9949 3.9949 4.9575 4.9575 5.2708 5.2708 6.9163 6.9163 7.5475 7.5475 10.5966 10.5966 12.0746 12.0746 12.6241 12.6241 16.7510 16.7510 k = 0.2414-0.1976 0.5284 ( 1496 PWs) bands (ev): -12.5700 -12.5700 -8.5564 -8.5564 0.0709 0.0709 1.2278 1.2278 1.9710 1.9710 2.9119 2.9119 3.1564 3.1564 3.9903 3.9903 4.9526 4.9526 5.2716 5.2716 6.9099 6.9099 7.5217 7.5217 10.6374 10.6374 12.1240 12.1240 12.6399 12.6399 16.6841 16.6841 k = 0.2500-0.2047 0.5284 ( 1492 PWs) bands (ev): -12.5675 -12.5675 -8.5506 -8.5506 0.0665 0.0665 1.2309 1.2309 1.9677 1.9677 2.9166 2.9166 3.1542 3.1542 3.9852 3.9852 4.9490 4.9490 5.2744 5.2744 6.9032 6.9032 7.4928 7.4928 10.6769 10.6769 12.1709 12.1709 12.6553 12.6553 16.6196 16.6196 k = 0.2586-0.2118 0.5284 ( 1490 PWs) bands (ev): -12.5649 -12.5649 -8.5449 -8.5449 0.0619 0.0619 1.2333 1.2333 1.9650 1.9650 2.9211 2.9211 3.1539 3.1539 3.9797 3.9797 4.9468 4.9468 5.2789 5.2789 6.8961 6.8961 7.4607 7.4607 10.7148 10.7148 12.2152 12.2152 12.6699 12.6699 16.5579 16.5579 k = 0.2672-0.2188 0.5284 ( 1490 PWs) bands (ev): -12.5623 -12.5623 -8.5393 -8.5393 0.0572 0.0572 1.2349 1.2349 1.9628 1.9628 2.9252 2.9252 3.1557 3.1557 3.9738 3.9738 4.9460 4.9460 5.2852 5.2852 6.8886 6.8886 7.4255 7.4255 10.7510 10.7510 12.2565 12.2565 12.6836 12.6836 16.4996 16.4996 k = 0.2759-0.2259 0.5284 ( 1488 PWs) bands (ev): -12.5598 -12.5598 -8.5338 -8.5338 0.0523 0.0523 1.2358 1.2358 1.9614 1.9614 2.9290 2.9290 3.1596 3.1596 3.9675 3.9675 4.9466 4.9466 5.2931 5.2931 6.8807 6.8807 7.3874 7.3874 10.7853 10.7853 12.2947 12.2947 12.6961 12.6961 16.4450 16.4450 k = 0.2845-0.2329 0.5284 ( 1490 PWs) bands (ev): -12.5572 -12.5572 -8.5284 -8.5284 0.0474 0.0474 1.2358 1.2358 1.9607 1.9607 2.9324 2.9324 3.1658 3.1658 3.9607 3.9607 4.9486 4.9486 5.3026 5.3026 6.8725 6.8725 7.3464 7.3464 10.8177 10.8177 12.3297 12.3297 12.7074 12.7074 16.3944 16.3944 k = 0.2931-0.2400 0.5284 ( 1490 PWs) bands (ev): -12.5547 -12.5547 -8.5232 -8.5232 0.0423 0.0423 1.2349 1.2349 1.9608 1.9608 2.9353 2.9353 3.1741 3.1741 3.9535 3.9535 4.9522 4.9522 5.3134 5.3134 6.8639 6.8639 7.3028 7.3028 10.8481 10.8481 12.3614 12.3614 12.7172 12.7172 16.3482 16.3482 k = 0.3017-0.2471 0.5284 ( 1492 PWs) bands (ev): -12.5522 -12.5522 -8.5181 -8.5181 0.0372 0.0372 1.2332 1.2332 1.9617 1.9617 2.9379 2.9379 3.1846 3.1846 3.9460 3.9460 4.9573 4.9573 5.3256 5.3256 6.8550 6.8550 7.2567 7.2567 10.8764 10.8764 12.3897 12.3897 12.7254 12.7254 16.3065 16.3065 k = 0.3103-0.2541 0.5284 ( 1494 PWs) bands (ev): -12.5498 -12.5498 -8.5132 -8.5132 0.0321 0.0321 1.2306 1.2306 1.9635 1.9635 2.9401 2.9401 3.1970 3.1970 3.9380 3.9380 4.9641 4.9641 5.3388 5.3388 6.8456 6.8456 7.2082 7.2082 10.9027 10.9027 12.4146 12.4146 12.7319 12.7319 16.2694 16.2694 k = 0.3190-0.2612 0.5284 ( 1494 PWs) bands (ev): -12.5473 -12.5473 -8.5085 -8.5085 0.0269 0.0269 1.2273 1.2273 1.9661 1.9661 2.9422 2.9422 3.2111 3.2111 3.9296 3.9296 4.9725 4.9725 5.3531 5.3531 6.8357 6.8357 7.1577 7.1577 10.9269 10.9269 12.4361 12.4361 12.7368 12.7368 16.2370 16.2370 k = 0.3276-0.2682 0.5284 ( 1492 PWs) bands (ev): -12.5450 -12.5450 -8.5040 -8.5040 0.0217 0.0217 1.2231 1.2231 1.9695 1.9695 2.9442 2.9442 3.2268 3.2268 3.9208 3.9208 4.9827 4.9827 5.3682 5.3682 6.8251 6.8251 7.1056 7.1056 10.9492 10.9492 12.4543 12.4543 12.7400 12.7400 16.2092 16.2092 k = 0.3362-0.2753 0.5284 ( 1500 PWs) bands (ev): -12.5427 -12.5427 -8.4996 -8.4996 0.0165 0.0165 1.2182 1.2182 1.9736 1.9736 2.9461 2.9461 3.2439 3.2439 3.9117 3.9117 4.9948 4.9948 5.3840 5.3840 6.8132 6.8132 7.0525 7.0525 10.9694 10.9694 12.4692 12.4692 12.7416 12.7416 16.1858 16.1858 k = 0.3448-0.2824 0.5284 ( 1500 PWs) bands (ev): -12.5404 -12.5404 -8.4955 -8.4955 0.0114 0.0114 1.2128 1.2128 1.9784 1.9784 2.9481 2.9481 3.2621 3.2621 3.9023 3.9023 5.0087 5.0087 5.4004 5.4004 6.7994 6.7994 6.9994 6.9994 10.9878 10.9878 12.4812 12.4812 12.7416 12.7416 16.1668 16.1668 k = 0.3534-0.2894 0.5284 ( 1500 PWs) bands (ev): -12.5383 -12.5383 -8.4916 -8.4916 0.0064 0.0064 1.2067 1.2067 1.9839 1.9839 2.9503 2.9503 3.2811 3.2811 3.8926 3.8926 5.0245 5.0245 5.4173 5.4173 6.7819 6.7819 6.9483 6.9483 11.0044 11.0044 12.4902 12.4902 12.7402 12.7402 16.1518 16.1518 k = 0.3621-0.2965 0.5284 ( 1504 PWs) bands (ev): -12.5362 -12.5362 -8.4878 -8.4878 0.0015 0.0015 1.2003 1.2003 1.9898 1.9898 2.9526 2.9526 3.3009 3.3009 3.8826 3.8826 5.0424 5.0424 5.4344 5.4344 6.7577 6.7577 6.9023 6.9023 11.0193 11.0193 12.4966 12.4966 12.7375 12.7375 16.1405 16.1405 k = 0.3707-0.3035 0.5284 ( 1504 PWs) bands (ev): -12.5342 -12.5342 -8.4843 -8.4843 -0.0033 -0.0033 1.1935 1.1935 1.9962 1.9962 2.9550 2.9550 3.3212 3.3212 3.8724 3.8724 5.0623 5.0623 5.4517 5.4517 6.7230 6.7230 6.8655 6.8655 11.0325 11.0325 12.5007 12.5007 12.7337 12.7337 16.1326 16.1326 k = 0.3793-0.3106 0.5284 ( 1508 PWs) bands (ev): -12.5323 -12.5323 -8.4810 -8.4810 -0.0079 -0.0079 1.1865 1.1865 2.0029 2.0029 2.9576 2.9576 3.3417 3.3417 3.8620 3.8620 5.0842 5.0842 5.4691 5.4691 6.6767 6.6767 6.8393 6.8393 11.0443 11.0443 12.5027 12.5027 12.7290 12.7290 16.1277 16.1277 k = 0.3879-0.3177 0.5284 ( 1506 PWs) bands (ev): -12.5305 -12.5305 -8.4780 -8.4780 -0.0123 -0.0123 1.1794 1.1794 2.0098 2.0098 2.9604 2.9604 3.3623 3.3623 3.8515 3.8515 5.1082 5.1082 5.4865 5.4865 6.6216 6.6216 6.8212 6.8212 11.0546 11.0546 12.5029 12.5029 12.7235 12.7235 16.1253 16.1253 k = 0.3966-0.3247 0.5284 ( 1506 PWs) bands (ev): -12.5288 -12.5288 -8.4751 -8.4751 -0.0166 -0.0166 1.1724 1.1724 2.0167 2.0167 2.9633 2.9633 3.3828 3.3828 3.8409 3.8409 5.1343 5.1343 5.5038 5.5038 6.5611 6.5611 6.8078 6.8078 11.0636 11.0636 12.5016 12.5016 12.7174 12.7174 16.1252 16.1252 k = 0.4052-0.3318 0.5284 ( 1506 PWs) bands (ev): -12.5273 -12.5273 -8.4725 -8.4725 -0.0205 -0.0205 1.1654 1.1654 2.0236 2.0236 2.9663 2.9663 3.4029 3.4029 3.8303 3.8303 5.1622 5.1622 5.5211 5.5211 6.4975 6.4975 6.7974 6.7974 11.0714 11.0714 12.4992 12.4992 12.7110 12.7110 16.1268 16.1268 k = 0.4138-0.3388 0.5284 ( 1502 PWs) bands (ev): -12.5258 -12.5258 -8.4701 -8.4701 -0.0242 -0.0242 1.1587 1.1587 2.0304 2.0304 2.9693 2.9693 3.4226 3.4226 3.8197 3.8197 5.1919 5.1919 5.5383 5.5383 6.4322 6.4322 6.7888 6.7888 11.0782 11.0782 12.4958 12.4958 12.7045 12.7045 16.1299 16.1299 k = 0.4224-0.3459 0.5284 ( 1498 PWs) bands (ev): -12.5245 -12.5245 -8.4680 -8.4680 -0.0277 -0.0277 1.1523 1.1523 2.0368 2.0368 2.9723 2.9723 3.4415 3.4415 3.8092 3.8092 5.2231 5.2231 5.5557 5.5557 6.3660 6.3660 6.7815 6.7815 11.0840 11.0840 12.4919 12.4919 12.6979 12.6979 16.1339 16.1339 k = 0.4310-0.3529 0.5284 ( 1496 PWs) bands (ev): -12.5233 -12.5233 -8.4660 -8.4660 -0.0308 -0.0308 1.1464 1.1464 2.0429 2.0429 2.9753 2.9753 3.4595 3.4595 3.7989 3.7989 5.2554 5.2554 5.5734 5.5734 6.2995 6.2995 6.7752 6.7752 11.0889 11.0889 12.4876 12.4876 12.6916 12.6916 16.1385 16.1385 k = 0.4397-0.3600 0.5284 ( 1492 PWs) bands (ev): -12.5222 -12.5222 -8.4643 -8.4643 -0.0336 -0.0336 1.1409 1.1409 2.0484 2.0484 2.9780 2.9780 3.4765 3.4765 3.7890 3.7890 5.2882 5.2882 5.5919 5.5919 6.2332 6.2332 6.7698 6.7698 11.0929 11.0929 12.4833 12.4833 12.6856 12.6856 16.1435 16.1435 k = 0.4483-0.3671 0.5284 ( 1492 PWs) bands (ev): -12.5213 -12.5213 -8.4628 -8.4628 -0.0360 -0.0360 1.1360 1.1360 2.0535 2.0535 2.9806 2.9806 3.4921 3.4921 3.7796 3.7796 5.3205 5.3205 5.6117 5.6117 6.1675 6.1675 6.7652 6.7652 11.0963 11.0963 12.4790 12.4790 12.6801 12.6801 16.1484 16.1484 k = 0.4569-0.3741 0.5284 ( 1494 PWs) bands (ev): -12.5205 -12.5205 -8.4616 -8.4616 -0.0382 -0.0382 1.1318 1.1318 2.0578 2.0578 2.9829 2.9829 3.5061 3.5061 3.7710 3.7710 5.3512 5.3512 5.6339 5.6339 6.1029 6.1029 6.7614 6.7614 11.0989 11.0989 12.4751 12.4751 12.6752 12.6752 16.1530 16.1530 k = 0.4655-0.3812 0.5284 ( 1494 PWs) bands (ev): -12.5198 -12.5198 -8.4606 -8.4606 -0.0399 -0.0399 1.1283 1.1283 2.0615 2.0615 2.9849 2.9849 3.5182 3.5182 3.7632 3.7632 5.3790 5.3790 5.6595 5.6595 6.0399 6.0399 6.7582 6.7582 11.1011 11.1011 12.4717 12.4717 12.6711 12.6711 16.1571 16.1571 k = 0.4741-0.3882 0.5284 ( 1496 PWs) bands (ev): -12.5193 -12.5193 -8.4598 -8.4598 -0.0413 -0.0413 1.1254 1.1254 2.0644 2.0644 2.9865 2.9865 3.5282 3.5282 3.7567 3.7567 5.4022 5.4022 5.6896 5.6896 5.9790 5.9790 6.7558 6.7558 11.1027 11.1027 12.4688 12.4688 12.6678 12.6678 16.1605 16.1605 k = 0.4828-0.3953 0.5284 ( 1494 PWs) bands (ev): -12.5189 -12.5189 -8.4592 -8.4592 -0.0422 -0.0422 1.1234 1.1234 2.0665 2.0665 2.9876 2.9876 3.5357 3.5357 3.7517 3.7517 5.4196 5.4196 5.7249 5.7249 5.9208 5.9208 6.7541 6.7541 11.1038 11.1038 12.4667 12.4667 12.6654 12.6654 16.1630 16.1630 k = 0.4914-0.4024 0.5284 ( 1492 PWs) bands (ev): -12.5187 -12.5187 -8.4589 -8.4589 -0.0428 -0.0428 1.1222 1.1222 2.0678 2.0678 2.9883 2.9883 3.5403 3.5403 3.7485 3.7485 5.4303 5.4303 5.7654 5.7654 5.8663 5.8663 6.7531 6.7531 11.1044 11.1044 12.4654 12.4654 12.6639 12.6639 16.1646 16.1646 k = 0.5000-0.4094 0.5284 ( 1486 PWs) bands (ev): -12.5186 -12.5186 -8.4587 -8.4587 -0.0430 -0.0430 1.1218 1.1218 2.0682 2.0682 2.9886 2.9886 3.5419 3.5419 3.7475 3.7475 5.4339 5.4339 5.8011 5.8011 5.8259 5.8259 6.7527 6.7527 11.1046 11.1046 12.4650 12.4650 12.6634 12.6634 16.1652 16.1652 k = 0.5000-0.4094 0.5284 ( 1486 PWs) bands (ev): -12.5186 -12.5186 -8.4587 -8.4587 -0.0430 -0.0430 1.1218 1.1218 2.0682 2.0682 2.9886 2.9886 3.5419 3.5419 3.7475 3.7475 5.4339 5.4339 5.8011 5.8011 5.8259 5.8259 6.7527 6.7527 11.1046 11.1046 12.4650 12.4650 12.6634 12.6634 16.1652 16.1652 k = 0.4985-0.4112 0.5284 ( 1484 PWs) bands (ev): -12.5186 -12.5186 -8.4587 -8.4587 -0.0430 -0.0430 1.1218 1.1218 2.0681 2.0681 2.9884 2.9884 3.5417 3.5417 3.7478 3.7478 5.4338 5.4338 5.8009 5.8009 5.8261 5.8261 6.7527 6.7527 11.1047 11.1047 12.4651 12.4651 12.6635 12.6635 16.1652 16.1652 k = 0.6662-0.2064 0.2651 ( 1490 PWs) bands (ev): -12.8913 -12.8913 -7.5864 -7.5864 0.0887 0.0887 1.2227 1.2227 1.8035 1.8035 2.5040 2.5040 3.0208 3.0208 3.5983 3.5983 4.4215 4.4215 4.9571 4.9571 5.9872 5.9872 7.8084 7.8084 11.5752 11.5752 12.3753 12.3753 14.3797 14.3797 15.7496 15.7496 k = 0.6640-0.2091 0.2547 ( 1492 PWs) bands (ev): -12.9096 -12.9096 -7.5290 -7.5290 0.0645 0.0645 1.2230 1.2230 1.7970 1.7970 2.5008 2.5008 3.0149 3.0149 3.5814 3.5814 4.3836 4.3836 4.8604 4.8604 6.0096 6.0096 7.8596 7.8596 11.5832 11.5832 12.4414 12.4414 14.4936 14.4936 15.7055 15.7055 k = 0.6618-0.2118 0.2442 ( 1492 PWs) bands (ev): -12.9281 -12.9281 -7.4696 -7.4696 0.0390 0.0390 1.2229 1.2229 1.7899 1.7899 2.4974 2.4974 3.0089 3.0089 3.5630 3.5630 4.3432 4.3432 4.7669 4.7669 6.0336 6.0336 7.9111 7.9111 11.5856 11.5856 12.5164 12.5164 14.6023 14.6023 15.6704 15.6704 k = 0.6596-0.2145 0.2338 ( 1492 PWs) bands (ev): -12.9468 -12.9468 -7.4084 -7.4084 0.0122 0.0122 1.2225 1.2225 1.7822 1.7822 2.4940 2.4940 3.0023 3.0023 3.5431 3.5431 4.2986 4.2986 4.6797 4.6797 6.0587 6.0587 7.9626 7.9626 11.5841 11.5841 12.5978 12.5978 14.7014 14.7014 15.6485 15.6485 k = 0.6574-0.2172 0.2233 ( 1492 PWs) bands (ev): -12.9656 -12.9656 -7.3456 -7.3456 -0.0157 -0.0157 1.2217 1.2217 1.7741 1.7741 2.4906 2.4906 2.9948 2.9948 3.5215 3.5215 4.2482 4.2482 4.6018 4.6018 6.0847 6.0847 8.0140 8.0140 11.5800 11.5800 12.6839 12.6839 14.7853 14.7853 15.6455 15.6455 k = 0.6552-0.2199 0.2129 ( 1490 PWs) bands (ev): -12.9844 -12.9844 -7.2815 -7.2815 -0.0446 -0.0446 1.2205 1.2205 1.7657 1.7657 2.4874 2.4874 2.9859 2.9859 3.4984 3.4984 4.1908 4.1908 4.5356 4.5356 6.1115 6.1115 8.0651 8.0651 11.5740 11.5740 12.7729 12.7729 14.8476 14.8476 15.6675 15.6675 k = 0.6530-0.2226 0.2025 ( 1486 PWs) bands (ev): -13.0030 -13.0030 -7.2162 -7.2162 -0.0743 -0.0743 1.2189 1.2189 1.7568 1.7568 2.4843 2.4843 2.9749 2.9749 3.4738 3.4738 4.1268 4.1268 4.4816 4.4816 6.1389 6.1389 8.1158 8.1158 11.5668 11.5668 12.8636 12.8636 14.8845 14.8845 15.7180 15.7180 k = 0.6508-0.2253 0.1920 ( 1486 PWs) bands (ev): -13.0215 -13.0215 -7.1502 -7.1502 -0.1047 -0.1047 1.2168 1.2168 1.7475 1.7475 2.4817 2.4817 2.9610 2.9610 3.4477 3.4477 4.0588 4.0588 4.4387 4.4387 6.1668 6.1668 8.1657 8.1657 11.5589 11.5589 12.9552 12.9552 14.8970 14.8970 15.7957 15.7957 k = 0.6486-0.2280 0.1816 ( 1487 PWs) bands (ev): -13.0397 -13.0397 -7.0836 -7.0836 -0.1357 -0.1357 1.2142 1.2142 1.7379 1.7379 2.4794 2.4794 2.9433 2.9433 3.4207 3.4207 3.9900 3.9900 4.4046 4.4046 6.1951 6.1951 8.2148 8.2148 11.5505 11.5505 13.0466 13.0466 14.8902 14.8902 15.8953 15.8953 k = 0.6464-0.2307 0.1711 ( 1493 PWs) bands (ev): -13.0576 -13.0576 -7.0167 -7.0167 -0.1670 -0.1670 1.2110 1.2110 1.7280 1.7280 2.4776 2.4776 2.9207 2.9207 3.3931 3.3931 3.9236 3.9236 4.3771 4.3771 6.2239 6.2239 8.2629 8.2629 11.5416 11.5416 13.1374 13.1374 14.8701 14.8701 16.0101 16.0101 k = 0.6442-0.2333 0.1607 ( 1493 PWs) bands (ev): -13.0750 -13.0750 -6.9499 -6.9499 -0.1984 -0.1984 1.2074 1.2074 1.7176 1.7176 2.4762 2.4762 2.8922 2.8922 3.3659 3.3659 3.8618 3.8618 4.3545 4.3545 6.2531 6.2531 8.3097 8.3097 11.5323 11.5323 13.2270 13.2270 14.8416 14.8416 16.1347 16.1347 k = 0.6420-0.2360 0.1503 ( 1491 PWs) bands (ev): -13.0919 -13.0919 -6.8834 -6.8834 -0.2297 -0.2297 1.2032 1.2032 1.7069 1.7069 2.4754 2.4754 2.8573 2.8573 3.3399 3.3399 3.8061 3.8061 4.3357 4.3357 6.2826 6.2826 8.3551 8.3551 11.5227 11.5227 13.3150 13.3150 14.8084 14.8084 16.2648 16.2648 k = 0.6398-0.2387 0.1398 ( 1493 PWs) bands (ev): -13.1082 -13.1082 -6.8175 -6.8175 -0.2606 -0.2606 1.1984 1.1984 1.6958 1.6958 2.4747 2.4747 2.8159 2.8159 3.3159 3.3159 3.7572 3.7572 4.3199 4.3199 6.3124 6.3124 8.3989 8.3989 11.5126 11.5126 13.4007 13.4007 14.7727 14.7727 16.3971 16.3971 k = 0.6376-0.2414 0.1294 ( 1495 PWs) bands (ev): -13.1239 -13.1239 -6.7527 -6.7527 -0.2909 -0.2909 1.1931 1.1931 1.6842 1.6842 2.4740 2.4740 2.7688 2.7688 3.2942 3.2942 3.7151 3.7151 4.3064 4.3064 6.3424 6.3424 8.4408 8.4408 11.5021 11.5021 13.4839 13.4839 14.7362 14.7362 16.5288 16.5288 k = 0.6353-0.2441 0.1189 ( 1493 PWs) bands (ev): -13.1388 -13.1388 -6.6892 -6.6892 -0.3202 -0.3202 1.1871 1.1871 1.6721 1.6721 2.4724 2.4724 2.7179 2.7179 3.2750 3.2750 3.6795 3.6795 4.2949 4.2949 6.3726 6.3726 8.4808 8.4808 11.4910 11.4910 13.5643 13.5643 14.7000 14.7000 16.6574 16.6574 k = 0.6331-0.2468 0.1085 ( 1493 PWs) bands (ev): -13.1531 -13.1531 -6.6274 -6.6274 -0.3484 -0.3484 1.1805 1.1805 1.6595 1.6595 2.4679 2.4679 2.6666 2.6666 3.2580 3.2580 3.6501 3.6501 4.2850 4.2850 6.4030 6.4030 8.5186 8.5186 11.4793 11.4793 13.6413 13.6413 14.6652 14.6652 16.7804 16.7804 k = 0.6309-0.2495 0.0981 ( 1493 PWs) bands (ev): -13.1665 -13.1665 -6.5677 -6.5677 -0.3749 -0.3749 1.1732 1.1732 1.6463 1.6463 2.4566 2.4566 2.6205 2.6205 3.2426 3.2426 3.6261 3.6261 4.2766 4.2766 6.4334 6.4334 8.5541 8.5541 11.4669 11.4669 13.7147 13.7147 14.6322 14.6322 16.8954 16.8954 k = 0.6287-0.2522 0.0876 ( 1493 PWs) bands (ev): -13.1790 -13.1790 -6.5105 -6.5105 -0.3996 -0.3996 1.1652 1.1652 1.6325 1.6325 2.4322 2.4322 2.5874 2.5874 3.2284 3.2284 3.6071 3.6071 4.2694 4.2694 6.4640 6.4640 8.5870 8.5870 11.4538 11.4538 13.7840 13.7840 14.6019 14.6019 16.9998 16.9998 k = 0.6265-0.2549 0.0772 ( 1493 PWs) bands (ev): -13.1907 -13.1907 -6.4562 -6.4562 -0.4220 -0.4220 1.1564 1.1564 1.6180 1.6180 2.3922 2.3922 2.5712 2.5712 3.2150 3.2150 3.5925 3.5925 4.2634 4.2634 6.4945 6.4945 8.6172 8.6172 11.4397 11.4397 13.8489 13.8489 14.5747 14.5747 17.0916 17.0916 k = 0.6243-0.2576 0.0667 ( 1498 PWs) bands (ev): -13.2014 -13.2014 -6.4051 -6.4051 -0.4418 -0.4418 1.1467 1.1467 1.6029 1.6029 2.3420 2.3420 2.5677 2.5677 3.2020 3.2020 3.5820 3.5820 4.2584 4.2584 6.5250 6.5250 8.6445 8.6445 11.4247 11.4247 13.9088 13.9088 14.5511 14.5511 17.1693 17.1693 k = 0.6221-0.2603 0.0563 ( 1498 PWs) bands (ev): -13.2111 -13.2111 -6.3576 -6.3576 -0.4586 -0.4586 1.1359 1.1359 1.5871 1.5871 2.2881 2.2881 2.5713 2.5713 3.1892 3.1892 3.5750 3.5750 4.2543 4.2543 6.5553 6.5553 8.6688 8.6688 11.4086 11.4086 13.9633 13.9633 14.5319 14.5319 17.2325 17.2325 k = 0.6199-0.2630 0.0458 ( 1500 PWs) bands (ev): -13.2198 -13.2198 -6.3142 -6.3142 -0.4720 -0.4720 1.1240 1.1240 1.5707 1.5707 2.2343 2.2343 2.5792 2.5792 3.1766 3.1766 3.5713 3.5713 4.2511 4.2511 6.5855 6.5855 8.6899 8.6899 11.3915 11.3915 14.0119 14.0119 14.5175 14.5175 17.2818 17.2818 k = 0.6177-0.2657 0.0354 ( 1504 PWs) bands (ev): -13.2275 -13.2275 -6.2752 -6.2752 -0.4816 -0.4816 1.1107 1.1107 1.5538 1.5538 2.1826 2.1826 2.5898 2.5898 3.1641 3.1641 3.5703 3.5703 4.2487 4.2487 6.6154 6.6154 8.7077 8.7077 11.3733 11.3733 14.0542 14.0542 14.5083 14.5083 17.3187 17.3187 k = 0.6155-0.2684 0.0250 ( 1504 PWs) bands (ev): -13.2340 -13.2340 -6.2409 -6.2409 -0.4872 -0.4872 1.0960 1.0960 1.5365 1.5365 2.1343 2.1343 2.6026 2.6026 3.1519 3.1519 3.5718 3.5718 4.2471 4.2471 6.6451 6.6451 8.7221 8.7221 11.3540 11.3540 14.0899 14.0899 14.5047 14.5047 17.3452 17.3452 k = 0.6133-0.2711 0.0145 ( 1505 PWs) bands (ev): -13.2395 -13.2395 -6.2116 -6.2116 -0.4883 -0.4883 1.0796 1.0796 1.5191 1.5191 2.0898 2.0898 2.6170 2.6170 3.1399 3.1399 3.5755 3.5755 4.2463 4.2463 6.6744 6.6744 8.7329 8.7329 11.3336 11.3336 14.1191 14.1191 14.5065 14.5065 17.3634 17.3634 k = 0.6111-0.2738 0.0041 ( 1509 PWs) bands (ev): -13.2439 -13.2439 -6.1878 -6.1878 -0.4846 -0.4846 1.0614 1.0614 1.5019 1.5019 2.0497 2.0497 2.6328 2.6328 3.1283 3.1283 3.5810 3.5810 4.2462 4.2462 6.7032 6.7032 8.7400 8.7400 11.3119 11.3119 14.1424 14.1424 14.5131 14.5131 17.3751 17.3751 k = 0.6089-0.2765-0.0064 ( 1505 PWs) bands (ev): -13.2471 -13.2471 -6.1695 -6.1695 -0.4760 -0.4760 1.0414 1.0414 1.4852 1.4852 2.0141 2.0141 2.6499 2.6499 3.1173 3.1173 3.5882 3.5882 4.2469 4.2469 6.7316 6.7316 8.7434 8.7434 11.2892 11.2892 14.1611 14.1611 14.5235 14.5235 17.3821 17.3821 k = 0.6067-0.2792-0.0168 ( 1503 PWs) bands (ev): -13.2492 -13.2492 -6.1571 -6.1571 -0.4622 -0.4622 1.0194 1.0194 1.4694 1.4694 1.9829 1.9829 2.6680 2.6680 3.1070 3.1070 3.5968 3.5968 4.2484 4.2484 6.7594 6.7594 8.7430 8.7430 11.2653 11.2653 14.1761 14.1761 14.5361 14.5361 17.3856 17.3856 k = 0.6044-0.2819-0.0272 ( 1504 PWs) bands (ev): -13.2501 -13.2501 -6.1506 -6.1506 -0.4431 -0.4431 0.9957 0.9957 1.4547 1.4547 1.9561 1.9561 2.6871 2.6871 3.0975 3.0975 3.6066 3.6066 4.2507 4.2507 6.7865 6.7865 8.7387 8.7387 11.2404 11.2404 14.1890 14.1890 14.5495 14.5495 17.3866 17.3866 k = 0.6022-0.2846-0.0377 ( 1504 PWs) bands (ev): -13.2499 -13.2499 -6.1502 -6.1502 -0.4187 -0.4187 0.9704 0.9704 1.4413 1.4413 1.9333 1.9333 2.7069 2.7069 3.0890 3.0890 3.6176 3.6176 4.2538 4.2538 6.8130 6.8130 8.7306 8.7306 11.2144 11.2144 14.2009 14.2009 14.5627 14.5627 17.3859 17.3859 k = 0.6000-0.2872-0.0481 ( 1506 PWs) bands (ev): -13.2484 -13.2484 -6.1558 -6.1558 -0.3889 -0.3889 0.9437 0.9437 1.4294 1.4294 1.9144 1.9144 2.7273 2.7273 3.0817 3.0817 3.6296 3.6296 4.2578 4.2578 6.8386 6.8386 8.7186 8.7186 11.1876 11.1876 14.2126 14.2126 14.5743 14.5743 17.3841 17.3841 k = 0.5978-0.2899-0.0586 ( 1504 PWs) bands (ev): -13.2458 -13.2458 -6.1674 -6.1674 -0.3540 -0.3540 0.9162 0.9162 1.4190 1.4190 1.8991 1.8991 2.7482 2.7482 3.0757 3.0757 3.6425 3.6425 4.2626 4.2626 6.8634 6.8634 8.7026 8.7026 11.1600 11.1600 14.2249 14.2249 14.5840 14.5840 17.3815 17.3815 k = 0.5956-0.2926-0.0690 ( 1502 PWs) bands (ev): -13.2420 -13.2420 -6.1850 -6.1850 -0.3140 -0.3140 0.8883 0.8883 1.4100 1.4100 1.8871 1.8871 2.7693 2.7693 3.0714 3.0714 3.6562 3.6562 4.2684 4.2684 6.8872 6.8872 8.6828 8.6828 11.1317 11.1317 14.2382 14.2382 14.5909 14.5909 17.3784 17.3784 k = 0.5934-0.2953-0.0794 ( 1505 PWs) bands (ev): -13.2370 -13.2370 -6.2084 -6.2084 -0.2694 -0.2694 0.8604 0.8604 1.4023 1.4023 1.8784 1.8784 2.7902 2.7902 3.0690 3.0690 3.6706 3.6706 4.2752 4.2752 6.9100 6.9100 8.6592 8.6592 11.1028 11.1028 14.2524 14.2524 14.5948 14.5948 17.3749 17.3749 k = 0.5912-0.2980-0.0899 ( 1505 PWs) bands (ev): -13.2308 -13.2308 -6.2373 -6.2373 -0.2207 -0.2207 0.8332 0.8332 1.3958 1.3958 1.8728 1.8728 2.8107 2.8107 3.0688 3.0688 3.6858 3.6858 4.2830 4.2830 6.9317 6.9317 8.6319 8.6319 11.0735 11.0735 14.2677 14.2677 14.5956 14.5956 17.3709 17.3709 k = 0.5890-0.3007-0.1003 ( 1505 PWs) bands (ev): -13.2234 -13.2234 -6.2717 -6.2717 -0.1684 -0.1684 0.8073 0.8073 1.3903 1.3903 1.8700 1.8700 2.8304 2.8304 3.0711 3.0711 3.7017 3.7017 4.2919 4.2919 6.9522 6.9522 8.6008 8.6008 11.0440 11.0440 14.2837 14.2837 14.5934 14.5934 17.3664 17.3664 k = 0.5868-0.3034-0.1108 ( 1503 PWs) bands (ev): -13.2149 -13.2149 -6.3110 -6.3110 -0.1134 -0.1134 0.7835 0.7835 1.3856 1.3856 1.8701 1.8701 2.8489 2.8489 3.0765 3.0765 3.7183 3.7183 4.3021 4.3021 6.9713 6.9713 8.5662 8.5662 11.0145 11.0145 14.2998 14.2998 14.5887 14.5887 17.3610 17.3610 k = 0.5846-0.3061-0.1212 ( 1500 PWs) bands (ev): -13.2052 -13.2052 -6.3551 -6.3551 -0.0568 -0.0568 0.7626 0.7626 1.3817 1.3817 1.8728 1.8728 2.8659 2.8659 3.0851 3.0851 3.7357 3.7357 4.3135 4.3135 6.9891 6.9891 8.5280 8.5280 10.9851 10.9851 14.3147 14.3147 14.5825 14.5825 17.3543 17.3543 k = 0.5824-0.3088-0.1317 ( 1498 PWs) bands (ev): -13.1943 -13.1943 -6.4037 -6.4037 0.0000 0.0000 0.7458 0.7458 1.3785 1.3785 1.8783 1.8783 2.8810 2.8810 3.0972 3.0972 3.7538 3.7538 4.3262 4.3262 7.0053 7.0053 8.4865 8.4865 10.9561 10.9561 14.3265 14.3265 14.5764 14.5764 17.3456 17.3456 k = 0.5824-0.3088-0.1317 ( 1498 PWs) bands (ev): -13.1943 -13.1943 -6.4037 -6.4037 0.0000 0.0000 0.7458 0.7458 1.3785 1.3785 1.8783 1.8783 2.8810 2.8810 3.0972 3.0972 3.7538 3.7538 4.3262 4.3262 7.0053 7.0053 8.4865 8.4865 10.9561 10.9561 14.3265 14.3265 14.5764 14.5764 17.3456 17.3456 k = 0.5775-0.3147-0.1239 ( 1500 PWs) bands (ev): -13.2052 -13.2052 -6.3584 -6.3584 -0.0565 -0.0565 0.7704 0.7704 1.3863 1.3863 1.9138 1.9138 2.8712 2.8712 3.0975 3.0975 3.7167 3.7167 4.3003 4.3003 6.9702 6.9702 8.5224 8.5224 10.9588 10.9588 14.3033 14.3033 14.5692 14.5692 17.3514 17.3514 k = 0.5727-0.3206-0.1162 ( 1502 PWs) bands (ev): -13.2158 -13.2158 -6.3139 -6.3139 -0.1134 -0.1134 0.7961 0.7961 1.3959 1.3959 1.9518 1.9518 2.8591 2.8591 3.0959 3.0959 3.6786 3.6786 4.2767 4.2767 6.9343 6.9343 8.5570 8.5570 10.9645 10.9645 14.2802 14.2802 14.5614 14.5614 17.3577 17.3577 k = 0.5678-0.3266-0.1084 ( 1500 PWs) bands (ev): -13.2260 -13.2260 -6.2703 -6.2703 -0.1697 -0.1697 0.8218 0.8218 1.4075 1.4075 1.9923 1.9923 2.8447 2.8447 3.0923 3.0923 3.6393 3.6393 4.2556 4.2556 6.8982 6.8982 8.5900 8.5900 10.9728 10.9728 14.2572 14.2572 14.5530 14.5530 17.3642 17.3642 k = 0.5630-0.3325-0.1007 ( 1503 PWs) bands (ev): -13.2358 -13.2358 -6.2280 -6.2280 -0.2247 -0.2247 0.8469 0.8469 1.4212 1.4212 2.0353 2.0353 2.8278 2.8278 3.0872 3.0872 3.5985 3.5985 4.2371 4.2371 6.8626 6.8626 8.6214 8.6214 10.9831 10.9831 14.2345 14.2345 14.5443 14.5443 17.3709 17.3709 k = 0.5581-0.3384-0.0929 ( 1500 PWs) bands (ev): -13.2451 -13.2451 -6.1873 -6.1873 -0.2777 -0.2777 0.8706 0.8706 1.4369 1.4369 2.0806 2.0806 2.8086 2.8086 3.0810 3.0810 3.5559 3.5559 4.2212 4.2212 6.8278 6.8278 8.6509 8.6509 10.9951 10.9951 14.2123 14.2123 14.5354 14.5354 17.3776 17.3776 k = 0.5533-0.3443-0.0852 ( 1500 PWs) bands (ev): -13.2538 -13.2538 -6.1484 -6.1484 -0.3284 -0.3284 0.8926 0.8926 1.4547 1.4547 2.1282 2.1282 2.7872 2.7872 3.0739 3.0739 3.5112 3.5112 4.2081 4.2081 6.7944 6.7944 8.6786 8.6786 11.0083 11.0083 14.1907 14.1907 14.5266 14.5266 17.3842 17.3842 k = 0.5485-0.3502-0.0774 ( 1501 PWs) bands (ev): -13.2620 -13.2620 -6.1117 -6.1117 -0.3762 -0.3762 0.9125 0.9125 1.4743 1.4743 2.1781 2.1781 2.7639 2.7639 3.0664 3.0664 3.4644 3.4644 4.1976 4.1976 6.7628 6.7628 8.7042 8.7042 11.0223 11.0223 14.1700 14.1700 14.5180 14.5180 17.3905 17.3905 k = 0.5436-0.3562-0.0697 ( 1499 PWs) bands (ev): -13.2695 -13.2695 -6.0774 -6.0774 -0.4207 -0.4207 0.9301 0.9301 1.4954 1.4954 2.2299 2.2299 2.7393 2.7393 3.0585 3.0585 3.4156 3.4156 4.1894 4.1894 6.7334 6.7334 8.7277 8.7277 11.0366 11.0366 14.1502 14.1502 14.5097 14.5097 17.3965 17.3965 k = 0.5388-0.3621-0.0620 ( 1497 PWs) bands (ev): -13.2763 -13.2763 -6.0458 -6.0458 -0.4615 -0.4615 0.9455 0.9455 1.5176 1.5176 2.2834 2.2834 2.7141 2.7141 3.0503 3.0503 3.3650 3.3650 4.1833 4.1833 6.7064 6.7064 8.7489 8.7489 11.0507 11.0507 14.1318 14.1318 14.5020 14.5020 17.4020 17.4020 k = 0.5339-0.3680-0.0542 ( 1495 PWs) bands (ev): -13.2824 -13.2824 -6.0172 -6.0172 -0.4984 -0.4984 0.9585 0.9585 1.5401 1.5401 2.3383 2.3383 2.6892 2.6892 3.0413 3.0413 3.3136 3.3136 4.1789 4.1789 6.6821 6.6821 8.7679 8.7679 11.0643 11.0643 14.1148 14.1148 14.4949 14.4949 17.4071 17.4071 k = 0.5291-0.3739-0.0465 ( 1493 PWs) bands (ev): -13.2877 -13.2877 -5.9918 -5.9918 -0.5309 -0.5309 0.9694 0.9694 1.5624 1.5624 2.3936 2.3936 2.6659 2.6659 3.0308 3.0308 3.2626 3.2626 4.1760 4.1760 6.6607 6.6607 8.7845 8.7845 11.0769 11.0769 14.0995 14.0995 14.4886 14.4886 17.4117 17.4117 k = 0.5242-0.3798-0.0387 ( 1496 PWs) bands (ev): -13.2923 -13.2923 -5.9700 -5.9700 -0.5590 -0.5590 0.9782 0.9782 1.5835 1.5835 2.4480 2.4480 2.6462 2.6462 3.0170 3.0170 3.2141 3.2141 4.1742 4.1742 6.6424 6.6424 8.7986 8.7986 11.0882 11.0882 14.0861 14.0861 14.4831 14.4831 17.4155 17.4155 k = 0.5194-0.3857-0.0310 ( 1494 PWs) bands (ev): -13.2961 -13.2961 -5.9518 -5.9518 -0.5822 -0.5822 0.9852 0.9852 1.6025 1.6025 2.4976 2.4976 2.6340 2.6340 2.9973 2.9973 3.1717 3.1717 4.1731 4.1731 6.6273 6.6273 8.8103 8.8103 11.0979 11.0979 14.0748 14.0748 14.4785 14.4785 17.4188 17.4188 k = 0.5145-0.3917-0.0232 ( 1494 PWs) bands (ev): -13.2991 -13.2991 -5.9374 -5.9374 -0.6005 -0.6005 0.9904 0.9904 1.6185 1.6185 2.5331 2.5331 2.6386 2.6386 2.9692 2.9692 3.1393 3.1393 4.1725 4.1725 6.6154 6.6154 8.8194 8.8194 11.1057 11.1057 14.0659 14.0659 14.4748 14.4748 17.4214 17.4214 k = 0.5097-0.3976-0.0155 ( 1492 PWs) bands (ev): -13.3012 -13.3012 -5.9270 -5.9270 -0.6137 -0.6137 0.9940 0.9940 1.6306 1.6306 2.5461 2.5461 2.6667 2.6667 2.9335 2.9335 3.1185 3.1185 4.1722 4.1722 6.6069 6.6069 8.8259 8.8259 11.1115 11.1115 14.0594 14.0594 14.4722 14.4722 17.4232 17.4232 k = 0.5048-0.4035-0.0077 ( 1494 PWs) bands (ev): -13.3025 -13.3025 -5.9208 -5.9208 -0.6217 -0.6217 0.9961 0.9961 1.6382 1.6382 2.5471 2.5471 2.7023 2.7023 2.8981 2.8981 3.1076 3.1076 4.1721 4.1721 6.6018 6.6018 8.8299 8.8299 11.1150 11.1150 14.0554 14.0554 14.4707 14.4707 17.4243 17.4243 k = 0.5000-0.4094 0.0000 ( 1494 PWs) bands (ev): -13.3029 -13.3029 -5.9187 -5.9187 -0.6243 -0.6243 0.9968 0.9968 1.6408 1.6408 2.5466 2.5466 2.7199 2.7199 2.8811 2.8811 3.1043 3.1043 4.1721 4.1721 6.6001 6.6001 8.8312 8.8312 11.1162 11.1162 14.0541 14.0541 14.4701 14.4701 17.4247 17.4247 k = 0.5000-0.4094 0.0000 ( 1494 PWs) bands (ev): -13.3029 -13.3029 -5.9187 -5.9187 -0.6243 -0.6243 0.9968 0.9968 1.6408 1.6408 2.5466 2.5466 2.7199 2.7199 2.8811 2.8811 3.1043 3.1043 4.1721 4.1721 6.6001 6.6001 8.8312 8.8312 11.1162 11.1162 14.0541 14.0541 14.4701 14.4701 17.4247 17.4247 k = 0.4914-0.4024 0.0000 ( 1494 PWs) bands (ev): -13.3030 -13.3030 -5.9187 -5.9187 -0.6243 -0.6243 0.9969 0.9969 1.6400 1.6400 2.5467 2.5467 2.7180 2.7180 2.8820 2.8820 3.1048 3.1048 4.1728 4.1728 6.6017 6.6017 8.8308 8.8308 11.1161 11.1161 14.0540 14.0540 14.4696 14.4696 17.4261 17.4261 k = 0.4828-0.3953 0.0000 ( 1496 PWs) bands (ev): -13.3034 -13.3034 -5.9188 -5.9188 -0.6241 -0.6241 0.9972 0.9972 1.6376 1.6376 2.5468 2.5468 2.7125 2.7125 2.8844 2.8844 3.1066 3.1066 4.1747 4.1747 6.6066 6.6066 8.8296 8.8296 11.1158 11.1158 14.0536 14.0536 14.4680 14.4680 17.4300 17.4300 k = 0.4741-0.3882 0.0000 ( 1500 PWs) bands (ev): -13.3040 -13.3040 -5.9189 -5.9189 -0.6238 -0.6238 0.9977 0.9977 1.6337 1.6337 2.5469 2.5469 2.7040 2.7040 2.8881 2.8881 3.1093 3.1093 4.1778 4.1778 6.6147 6.6147 8.8275 8.8275 11.1153 11.1153 14.0530 14.0530 14.4655 14.4655 17.4365 17.4365 k = 0.4655-0.3812 0.0000 ( 1494 PWs) bands (ev): -13.3048 -13.3048 -5.9191 -5.9191 -0.6234 -0.6234 0.9983 0.9983 1.6282 1.6282 2.5467 2.5467 2.6933 2.6933 2.8926 2.8926 3.1130 3.1130 4.1820 4.1820 6.6259 6.6259 8.8248 8.8248 11.1145 11.1145 14.0522 14.0522 14.4622 14.4622 17.4457 17.4457 k = 0.4569-0.3741 0.0000 ( 1494 PWs) bands (ev): -13.3058 -13.3058 -5.9194 -5.9194 -0.6229 -0.6229 0.9991 0.9991 1.6212 1.6212 2.5461 2.5461 2.6814 2.6814 2.8975 2.8975 3.1176 3.1176 4.1872 4.1872 6.6401 6.6401 8.8213 8.8213 11.1134 11.1134 14.0512 14.0512 14.4582 14.4582 17.4575 17.4575 k = 0.4483-0.3671 0.0000 ( 1492 PWs) bands (ev): -13.3071 -13.3071 -5.9197 -5.9197 -0.6223 -0.6223 1.0000 1.0000 1.6127 1.6127 2.5443 2.5443 2.6692 2.6692 2.9027 2.9027 3.1229 3.1229 4.1932 4.1932 6.6571 6.6571 8.8171 8.8171 11.1119 11.1119 14.0499 14.0499 14.4538 14.4538 17.4718 17.4718 k = 0.4397-0.3600 0.0000 ( 1492 PWs) bands (ev): -13.3085 -13.3085 -5.9200 -5.9200 -0.6216 -0.6216 1.0011 1.0011 1.6030 1.6030 2.5410 2.5410 2.6579 2.6579 2.9078 2.9078 3.1287 3.1287 4.1999 4.1999 6.6767 6.6767 8.8123 8.8123 11.1098 11.1098 14.0486 14.0486 14.4493 14.4493 17.4886 17.4886 k = 0.4310-0.3529 0.0000 ( 1494 PWs) bands (ev): -13.3102 -13.3102 -5.9204 -5.9204 -0.6209 -0.6209 1.0023 1.0023 1.5919 1.5919 2.5353 2.5353 2.6486 2.6486 2.9129 2.9129 3.1349 3.1349 4.2072 4.2072 6.6988 6.6988 8.8069 8.8069 11.1071 11.1071 14.0472 14.0472 14.4449 14.4449 17.5080 17.5080 k = 0.4224-0.3459 0.0000 ( 1496 PWs) bands (ev): -13.3122 -13.3122 -5.9208 -5.9208 -0.6201 -0.6201 1.0037 1.0037 1.5796 1.5796 2.5269 2.5269 2.6419 2.6419 2.9179 2.9179 3.1416 3.1416 4.2147 4.2147 6.7230 6.7230 8.8010 8.8010 11.1037 11.1037 14.0460 14.0460 14.4408 14.4408 17.5298 17.5298 k = 0.4138-0.3388 0.0000 ( 1494 PWs) bands (ev): -13.3143 -13.3143 -5.9213 -5.9213 -0.6192 -0.6192 1.0050 1.0050 1.5663 1.5663 2.5158 2.5158 2.6382 2.6382 2.9228 2.9228 3.1485 3.1485 4.2224 4.2224 6.7491 6.7491 8.7947 8.7947 11.0993 11.0993 14.0450 14.0450 14.4374 14.4374 17.5541 17.5541 k = 0.4052-0.3318 0.0000 ( 1498 PWs) bands (ev): -13.3166 -13.3166 -5.9218 -5.9218 -0.6184 -0.6184 1.0065 1.0065 1.5521 1.5521 2.5024 2.5024 2.6372 2.6372 2.9276 2.9276 3.1556 3.1556 4.2301 4.2301 6.7768 6.7768 8.7881 8.7881 11.0939 11.0939 14.0446 14.0446 14.4348 14.4348 17.5807 17.5807 k = 0.3966-0.3247 0.0000 ( 1498 PWs) bands (ev): -13.3192 -13.3192 -5.9223 -5.9223 -0.6175 -0.6175 1.0080 1.0080 1.5371 1.5371 2.4875 2.4875 2.6384 2.6384 2.9323 2.9323 3.1629 3.1629 4.2377 4.2377 6.8056 6.8056 8.7812 8.7812 11.0872 11.0872 14.0451 14.0451 14.4334 14.4334 17.6097 17.6097 k = 0.3879-0.3177 0.0000 ( 1502 PWs) bands (ev): -13.3219 -13.3219 -5.9229 -5.9229 -0.6167 -0.6167 1.0094 1.0094 1.5214 1.5214 2.4717 2.4717 2.6412 2.6412 2.9369 2.9369 3.1704 3.1704 4.2451 4.2451 6.8353 6.8353 8.7741 8.7741 11.0791 11.0791 14.0468 14.0468 14.4333 14.4333 17.6409 17.6409 k = 0.3793-0.3106 0.0000 ( 1506 PWs) bands (ev): -13.3248 -13.3248 -5.9235 -5.9235 -0.6159 -0.6159 1.0109 1.0109 1.5052 1.5052 2.4556 2.4556 2.6453 2.6453 2.9414 2.9414 3.1780 3.1780 4.2521 4.2521 6.8655 6.8655 8.7670 8.7670 11.0695 11.0695 14.0501 14.0501 14.4347 14.4347 17.6742 17.6742 k = 0.3707-0.3035 0.0000 ( 1501 PWs) bands (ev): -13.3279 -13.3279 -5.9241 -5.9241 -0.6152 -0.6152 1.0122 1.0122 1.4887 1.4887 2.4396 2.4396 2.6503 2.6503 2.9459 2.9459 3.1857 3.1857 4.2586 4.2586 6.8957 6.8957 8.7599 8.7599 11.0582 11.0582 14.0553 14.0553 14.4379 14.4379 17.7096 17.7096 k = 0.3621-0.2965 0.0000 ( 1499 PWs) bands (ev): -13.3312 -13.3312 -5.9247 -5.9247 -0.6145 -0.6145 1.0134 1.0134 1.4720 1.4720 2.4241 2.4241 2.6560 2.6560 2.9503 2.9503 3.1935 3.1935 4.2647 4.2647 6.9255 6.9255 8.7529 8.7529 11.0451 11.0451 14.0628 14.0628 14.4431 14.4431 17.7470 17.7470 k = 0.3534-0.2894 0.0000 ( 1501 PWs) bands (ev): -13.3346 -13.3346 -5.9253 -5.9253 -0.6140 -0.6140 1.0144 1.0144 1.4554 1.4554 2.4091 2.4091 2.6622 2.6622 2.9548 2.9548 3.2015 3.2015 4.2702 4.2702 6.9545 6.9545 8.7460 8.7460 11.0300 11.0300 14.0728 14.0728 14.4505 14.4505 17.7863 17.7863 k = 0.3448-0.2824 0.0000 ( 1503 PWs) bands (ev): -13.3383 -13.3383 -5.9260 -5.9260 -0.6137 -0.6137 1.0152 1.0152 1.4389 1.4389 2.3950 2.3950 2.6689 2.6689 2.9592 2.9592 3.2095 3.2095 4.2751 4.2751 6.9823 6.9823 8.7394 8.7394 11.0129 11.0129 14.0855 14.0855 14.4606 14.4606 17.8273 17.8273 k = 0.3362-0.2753 0.0000 ( 1499 PWs) bands (ev): -13.3420 -13.3420 -5.9266 -5.9266 -0.6135 -0.6135 1.0157 1.0157 1.4228 1.4228 2.3818 2.3818 2.6761 2.6761 2.9636 2.9636 3.2175 3.2175 4.2794 4.2794 7.0085 7.0085 8.7333 8.7333 10.9938 10.9938 14.1008 14.1008 14.4739 14.4739 17.8699 17.8699 k = 0.3276-0.2682 0.0000 ( 1499 PWs) bands (ev): -13.3459 -13.3459 -5.9273 -5.9273 -0.6135 -0.6135 1.0158 1.0158 1.4073 1.4073 2.3696 2.3696 2.6836 2.6836 2.9681 2.9681 3.2256 3.2256 4.2831 4.2831 7.0327 7.0327 8.7275 8.7275 10.9726 10.9726 14.1185 14.1185 14.4910 14.4910 17.9140 17.9140 k = 0.3190-0.2612 0.0000 ( 1499 PWs) bands (ev): -13.3500 -13.3500 -5.9279 -5.9279 -0.6137 -0.6137 1.0156 1.0156 1.3924 1.3924 2.3585 2.3585 2.6914 2.6914 2.9726 2.9726 3.2337 3.2337 4.2862 4.2862 7.0543 7.0543 8.7223 8.7223 10.9496 10.9496 14.1380 14.1380 14.5128 14.5128 17.9594 17.9594 k = 0.3103-0.2541 0.0000 ( 1497 PWs) bands (ev): -13.3541 -13.3541 -5.9285 -5.9285 -0.6141 -0.6141 1.0149 1.0149 1.3783 1.3783 2.3485 2.3485 2.6995 2.6995 2.9772 2.9772 3.2418 3.2418 4.2887 4.2887 7.0732 7.0732 8.7177 8.7177 10.9247 10.9247 14.1587 14.1587 14.5402 14.5402 18.0058 18.0058 k = 0.3017-0.2471 0.0000 ( 1493 PWs) bands (ev): -13.3584 -13.3584 -5.9291 -5.9291 -0.6148 -0.6148 1.0138 1.0138 1.3651 1.3651 2.3397 2.3397 2.7080 2.7080 2.9818 2.9818 3.2499 3.2499 4.2907 4.2907 7.0889 7.0889 8.7137 8.7137 10.8982 10.8982 14.1797 14.1797 14.5743 14.5743 18.0532 18.0532 k = 0.2931-0.2400 0.0000 ( 1493 PWs) bands (ev): -13.3627 -13.3627 -5.9297 -5.9297 -0.6158 -0.6158 1.0121 1.0121 1.3529 1.3529 2.3320 2.3320 2.7167 2.7167 2.9866 2.9866 3.2578 3.2578 4.2921 4.2921 7.1010 7.1010 8.7105 8.7105 10.8702 10.8702 14.2001 14.2001 14.6162 14.6162 18.1013 18.1013 k = 0.2845-0.2329 0.0000 ( 1493 PWs) bands (ev): -13.3672 -13.3672 -5.9302 -5.9302 -0.6171 -0.6171 1.0100 1.0100 1.3418 1.3418 2.3254 2.3254 2.7259 2.7259 2.9915 2.9915 3.2655 3.2655 4.2930 4.2930 7.1094 7.1094 8.7080 8.7080 10.8411 10.8411 14.2192 14.2192 14.6666 14.6666 18.1498 18.1498 k = 0.2759-0.2259 0.0000 ( 1491 PWs) bands (ev): -13.3717 -13.3717 -5.9308 -5.9308 -0.6186 -0.6186 1.0074 1.0074 1.3319 1.3319 2.3200 2.3200 2.7354 2.7354 2.9965 2.9965 3.2731 3.2731 4.2935 4.2935 7.1137 7.1137 8.7063 8.7063 10.8111 10.8111 14.2365 14.2365 14.7259 14.7259 18.1984 18.1984 k = 0.2672-0.2188 0.0000 ( 1495 PWs) bands (ev): -13.3763 -13.3763 -5.9313 -5.9313 -0.6205 -0.6205 1.0043 1.0043 1.3230 1.3230 2.3158 2.3158 2.7454 2.7454 3.0017 3.0017 3.2804 3.2804 4.2935 4.2935 7.1137 7.1137 8.7054 8.7054 10.7805 10.7805 14.2517 14.2517 14.7943 14.7943 18.2469 18.2469 k = 0.2586-0.2118 0.0000 ( 1497 PWs) bands (ev): -13.3809 -13.3809 -5.9318 -5.9318 -0.6226 -0.6226 1.0008 1.0008 1.3152 1.3152 2.3127 2.3127 2.7558 2.7558 3.0072 3.0072 3.2874 3.2874 4.2931 4.2931 7.1093 7.1093 8.7054 8.7054 10.7496 10.7496 14.2650 14.2650 14.8715 14.8715 18.2947 18.2947 k = 0.2500-0.2047 0.0000 ( 1499 PWs) bands (ev): -13.3856 -13.3856 -5.9322 -5.9322 -0.6251 -0.6251 0.9970 0.9970 1.3085 1.3085 2.3106 2.3106 2.7668 2.7668 3.0129 3.0129 3.2941 3.2941 4.2924 4.2924 7.1004 7.1004 8.7063 8.7063 10.7188 10.7188 14.2764 14.2764 14.9572 14.9572 18.3416 18.3416 k = 0.2414-0.1976 0.0000 ( 1495 PWs) bands (ev): -13.3903 -13.3903 -5.9326 -5.9326 -0.6279 -0.6279 0.9929 0.9929 1.3028 1.3028 2.3097 2.3097 2.7783 2.7783 3.0188 3.0188 3.3004 3.3004 4.2913 4.2913 7.0869 7.0869 8.7081 8.7081 10.6883 10.6883 14.2863 14.2863 15.0509 15.0509 18.3871 18.3871 k = 0.2328-0.1906 0.0000 ( 1495 PWs) bands (ev): -13.3950 -13.3950 -5.9330 -5.9330 -0.6309 -0.6309 0.9886 0.9886 1.2979 1.2979 2.3097 2.3097 2.7904 2.7904 3.0250 3.0250 3.3062 3.3062 4.2900 4.2900 7.0688 7.0688 8.7108 8.7108 10.6584 10.6584 14.2947 14.2947 15.1520 15.1520 18.4307 18.4307 k = 0.2241-0.1835 0.0000 ( 1495 PWs) bands (ev): -13.3997 -13.3997 -5.9334 -5.9334 -0.6343 -0.6343 0.9842 0.9842 1.2938 1.2938 2.3106 2.3106 2.8031 2.8031 3.0316 3.0316 3.3116 3.3116 4.2884 4.2884 7.0462 7.0462 8.7143 8.7143 10.6294 10.6294 14.3020 14.3020 15.2599 15.2599 18.4718 18.4718 k = 0.2155-0.1765 0.0000 ( 1493 PWs) bands (ev): -13.4044 -13.4044 -5.9337 -5.9337 -0.6378 -0.6378 0.9797 0.9797 1.2904 1.2904 2.3124 2.3124 2.8166 2.8166 3.0385 3.0385 3.3165 3.3165 4.2867 4.2867 7.0193 7.0193 8.7187 8.7187 10.6014 10.6014 14.3082 14.3082 15.3740 15.3740 18.5101 18.5101 k = 0.2069-0.1694 0.0000 ( 1491 PWs) bands (ev): -13.4090 -13.4090 -5.9340 -5.9340 -0.6417 -0.6417 0.9752 0.9752 1.2876 1.2876 2.3151 2.3151 2.8307 2.8307 3.0457 3.0457 3.3208 3.3208 4.2848 4.2848 6.9881 6.9881 8.7239 8.7239 10.5746 10.5746 14.3136 14.3136 15.4936 15.4936 18.5451 18.5451 k = 0.1983-0.1624 0.0000 ( 1485 PWs) bands (ev): -13.4136 -13.4136 -5.9342 -5.9342 -0.6457 -0.6457 0.9708 0.9708 1.2853 1.2853 2.3184 2.3184 2.8457 2.8457 3.0533 3.0533 3.3246 3.3246 4.2827 4.2827 6.9529 6.9529 8.7298 8.7298 10.5492 10.5492 14.3182 14.3182 15.6181 15.6181 18.5765 18.5765 k = 0.1897-0.1553 0.0000 ( 1487 PWs) bands (ev): -13.4181 -13.4181 -5.9345 -5.9345 -0.6499 -0.6499 0.9665 0.9665 1.2834 1.2834 2.3224 2.3224 2.8613 2.8613 3.0614 3.0614 3.3277 3.3277 4.2806 4.2806 6.9140 6.9140 8.7365 8.7365 10.5253 10.5253 14.3222 14.3222 15.7467 15.7467 18.6040 18.6040 k = 0.1810-0.1482 0.0000 ( 1487 PWs) bands (ev): -13.4226 -13.4226 -5.9346 -5.9346 -0.6543 -0.6543 0.9623 0.9623 1.2819 1.2819 2.3269 2.3269 2.8778 2.8778 3.0698 3.0698 3.3303 3.3303 4.2784 4.2784 6.8717 6.8717 8.7438 8.7438 10.5028 10.5028 14.3256 14.3256 15.8788 15.8788 18.6277 18.6277 k = 0.1724-0.1412 0.0000 ( 1493 PWs) bands (ev): -13.4269 -13.4269 -5.9348 -5.9348 -0.6588 -0.6588 0.9584 0.9584 1.2807 1.2807 2.3318 2.3318 2.8950 2.8950 3.0788 3.0788 3.3322 3.3322 4.2762 4.2762 6.8263 6.8263 8.7517 8.7517 10.4819 10.4819 14.3284 14.3284 16.0134 16.0134 18.6480 18.6480 k = 0.1638-0.1341 0.0000 ( 1495 PWs) bands (ev): -13.4312 -13.4312 -5.9349 -5.9349 -0.6634 -0.6634 0.9546 0.9546 1.2797 1.2797 2.3371 2.3371 2.9128 2.9128 3.0882 3.0882 3.3335 3.3335 4.2739 4.2739 6.7783 6.7783 8.7601 8.7601 10.4626 10.4626 14.3309 14.3309 16.1498 16.1498 18.6653 18.6653 k = 0.1552-0.1271 0.0000 ( 1501 PWs) bands (ev): -13.4353 -13.4353 -5.9350 -5.9350 -0.6681 -0.6681 0.9510 0.9510 1.2788 1.2788 2.3425 2.3425 2.9313 2.9313 3.0981 3.0981 3.3343 3.3343 4.2718 4.2718 6.7281 6.7281 8.7689 8.7689 10.4448 10.4448 14.3329 14.3329 16.2869 16.2869 18.6804 18.6804 k = 0.1466-0.1200 0.0000 ( 1503 PWs) bands (ev): -13.4393 -13.4393 -5.9351 -5.9351 -0.6727 -0.6727 0.9477 0.9477 1.2782 1.2782 2.3482 2.3482 2.9502 2.9502 3.1086 3.1086 3.3344 3.3344 4.2696 4.2696 6.6761 6.6761 8.7781 8.7781 10.4285 10.4285 14.3346 14.3346 16.4235 16.4235 18.6942 18.6942 k = 0.1379-0.1129 0.0000 ( 1503 PWs) bands (ev): -13.4432 -13.4432 -5.9352 -5.9352 -0.6773 -0.6773 0.9446 0.9446 1.2777 1.2777 2.3539 2.3539 2.9694 2.9694 3.1197 3.1197 3.3340 3.3340 4.2676 4.2676 6.6229 6.6229 8.7874 8.7874 10.4137 10.4137 14.3360 14.3360 16.5586 16.5586 18.7079 18.7079 k = 0.1293-0.1059 0.0000 ( 1501 PWs) bands (ev): -13.4468 -13.4468 -5.9352 -5.9352 -0.6819 -0.6819 0.9417 0.9417 1.2772 1.2772 2.3595 2.3595 2.9888 2.9888 3.1314 3.1314 3.3331 3.3331 4.2656 4.2656 6.5688 6.5688 8.7969 8.7969 10.4003 10.4003 14.3372 14.3372 16.6908 16.6908 18.7226 18.7226 k = 0.1207-0.0988 0.0000 ( 1495 PWs) bands (ev): -13.4503 -13.4503 -5.9352 -5.9352 -0.6864 -0.6864 0.9390 0.9390 1.2769 1.2769 2.3651 2.3651 3.0081 3.0081 3.1438 3.1438 3.3317 3.3317 4.2638 4.2638 6.5145 6.5145 8.8065 8.8065 10.3882 10.3882 14.3381 14.3381 16.8186 16.8186 18.7396 18.7396 k = 0.1121-0.0918 0.0000 ( 1495 PWs) bands (ev): -13.4537 -13.4537 -5.9352 -5.9352 -0.6907 -0.6907 0.9365 0.9365 1.2766 1.2766 2.3705 2.3705 3.0270 3.0270 3.1567 3.1567 3.3299 3.3299 4.2622 4.2622 6.4605 6.4605 8.8159 8.8159 10.3773 10.3773 14.3388 14.3388 16.9404 16.9404 18.7600 18.7600 k = 0.1034-0.0847 0.0000 ( 1499 PWs) bands (ev): -13.4568 -13.4568 -5.9352 -5.9352 -0.6949 -0.6949 0.9342 0.9342 1.2764 1.2764 2.3756 2.3756 3.0454 3.0454 3.1700 3.1700 3.3279 3.3279 4.2606 4.2606 6.4073 6.4073 8.8252 8.8252 10.3677 10.3677 14.3393 14.3393 17.0547 17.0547 18.7849 18.7849 k = 0.0948-0.0776 0.0000 ( 1505 PWs) bands (ev): -13.4597 -13.4597 -5.9352 -5.9352 -0.6988 -0.6988 0.9321 0.9321 1.2762 1.2762 2.3805 2.3805 3.0630 3.0630 3.1835 3.1835 3.3259 3.3259 4.2593 4.2593 6.3554 6.3554 8.8341 8.8341 10.3591 10.3591 14.3396 14.3396 17.1601 17.1601 18.8151 18.8151 k = 0.0862-0.0706 0.0000 ( 1511 PWs) bands (ev): -13.4624 -13.4624 -5.9351 -5.9351 -0.7026 -0.7026 0.9302 0.9302 1.2760 1.2760 2.3850 2.3850 3.0798 3.0798 3.1968 3.1968 3.3240 3.3240 4.2581 4.2581 6.3055 6.3055 8.8427 8.8427 10.3515 10.3515 14.3398 14.3398 17.2551 17.2551 18.8511 18.8511 k = 0.0776-0.0635 0.0000 ( 1515 PWs) bands (ev): -13.4649 -13.4649 -5.9351 -5.9351 -0.7060 -0.7060 0.9284 0.9284 1.2759 1.2759 2.3892 2.3892 3.0956 3.0956 3.2092 3.2092 3.3227 3.3227 4.2570 4.2570 6.2580 6.2580 8.8508 8.8508 10.3448 10.3448 14.3399 14.3399 17.3390 17.3390 18.8928 18.8928 k = 0.0690-0.0565 0.0000 ( 1517 PWs) bands (ev): -13.4671 -13.4671 -5.9350 -5.9350 -0.7092 -0.7092 0.9269 0.9269 1.2758 1.2758 2.3930 2.3930 3.1105 3.1105 3.2200 3.2200 3.3225 3.3225 4.2562 4.2562 6.2137 6.2137 8.8584 8.8584 10.3391 10.3391 14.3400 14.3400 17.4112 17.4112 18.9393 18.9393 k = 0.0603-0.0494 0.0000 ( 1521 PWs) bands (ev): -13.4691 -13.4691 -5.9350 -5.9350 -0.7120 -0.7120 0.9255 0.9255 1.2758 1.2758 2.3964 2.3964 3.1245 3.1245 3.2284 3.2284 3.3238 3.3238 4.2555 4.2555 6.1729 6.1729 8.8652 8.8652 10.3342 10.3342 14.3400 14.3400 17.4718 17.4718 18.9892 18.9892 k = 0.0517-0.0424 0.0000 ( 1521 PWs) bands (ev): -13.4709 -13.4709 -5.9350 -5.9350 -0.7146 -0.7146 0.9244 0.9244 1.2757 1.2757 2.3994 2.3994 3.1375 3.1375 3.2336 3.2336 3.3268 3.3268 4.2550 4.2550 6.1362 6.1362 8.8713 8.8713 10.3300 10.3300 14.3399 14.3399 17.5214 17.5214 19.0403 19.0403 k = 0.0431-0.0353 0.0000 ( 1521 PWs) bands (ev): -13.4723 -13.4723 -5.9349 -5.9349 -0.7167 -0.7167 0.9234 0.9234 1.2757 1.2757 2.4019 2.4019 3.1496 3.1496 3.2356 3.2356 3.3314 3.3314 4.2546 4.2546 6.1042 6.1042 8.8766 8.8766 10.3266 10.3266 14.3398 14.3398 17.5610 17.5610 19.0902 19.0902 k = 0.0345-0.0282 0.0000 ( 1519 PWs) bands (ev): -13.4736 -13.4736 -5.9349 -5.9349 -0.7185 -0.7185 0.9225 0.9225 1.2757 1.2757 2.4040 2.4040 3.1608 3.1608 3.2348 3.2348 3.3369 3.3369 4.2543 4.2543 6.0773 6.0773 8.8811 8.8811 10.3239 10.3239 14.3398 14.3398 17.5914 17.5914 19.1360 19.1360 k = 0.0259-0.0212 0.0000 ( 1519 PWs) bands (ev): -13.4745 -13.4745 -5.9349 -5.9349 -0.7199 -0.7199 0.9219 0.9219 1.2757 1.2757 2.4056 2.4056 3.1709 3.1709 3.2321 3.2321 3.3422 3.3422 4.2541 4.2541 6.0560 6.0560 8.8846 8.8846 10.3218 10.3218 14.3398 14.3398 17.6139 17.6139 19.1749 19.1749 k = 0.0172-0.0141 0.0000 ( 1517 PWs) bands (ev): -13.4752 -13.4752 -5.9348 -5.9348 -0.7209 -0.7209 0.9215 0.9215 1.2757 1.2757 2.4068 2.4068 3.1795 3.1795 3.2283 3.2283 3.3465 3.3465 4.2539 4.2539 6.0404 6.0404 8.8871 8.8871 10.3203 10.3203 14.3398 14.3398 17.6292 17.6292 19.2047 19.2047 k = 0.0086-0.0071 0.0000 ( 1521 PWs) bands (ev): -13.4756 -13.4756 -5.9348 -5.9348 -0.7216 -0.7216 0.9212 0.9212 1.2756 1.2756 2.4075 2.4075 3.1858 3.1858 3.2248 3.2248 3.3494 3.3494 4.2539 4.2539 6.0310 6.0310 8.8887 8.8887 10.3194 10.3194 14.3397 14.3397 17.6382 17.6382 19.2234 19.2234 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4757 -13.4757 -5.9348 -5.9348 -0.7218 -0.7218 0.9211 0.9211 1.2756 1.2756 2.4077 2.4077 3.1883 3.1883 3.2232 3.2232 3.3504 3.3504 4.2538 4.2538 6.0279 6.0279 8.8891 8.8891 10.3191 10.3191 14.3397 14.3397 17.6411 17.6411 19.2297 19.2297 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4757 -13.4757 -5.9348 -5.9348 -0.7218 -0.7218 0.9211 0.9211 1.2756 1.2756 2.4077 2.4077 3.1883 3.1883 3.2232 3.2232 3.3504 3.3504 4.2538 4.2538 6.0279 6.0279 8.8891 8.8891 10.3191 10.3191 14.3397 14.3397 17.6411 17.6411 19.2297 19.2297 k = 0.0106 0.0021-0.0028 ( 1522 PWs) bands (ev): -13.4754 -13.4754 -5.9356 -5.9356 -0.7208 -0.7208 0.9210 0.9210 1.2757 1.2757 2.4061 2.4061 3.1729 3.1729 3.2350 3.2350 3.3526 3.3526 4.2549 4.2549 6.0313 6.0313 8.8886 8.8886 10.3189 10.3189 14.3403 14.3403 17.6374 17.6374 19.2186 19.2186 k = 0.0213 0.0043-0.0056 ( 1522 PWs) bands (ev): -13.4745 -13.4745 -5.9380 -5.9380 -0.7180 -0.7180 0.9208 0.9208 1.2758 1.2758 2.4014 2.4014 3.1456 3.1456 3.2509 3.2509 3.3597 3.3597 4.2582 4.2582 6.0414 6.0414 8.8869 8.8869 10.3181 10.3181 14.3422 14.3422 17.6262 17.6262 19.1869 19.1869 k = 0.0319 0.0064-0.0084 ( 1520 PWs) bands (ev): -13.4729 -13.4729 -5.9419 -5.9419 -0.7132 -0.7132 0.9204 0.9204 1.2760 1.2760 2.3935 2.3935 3.1157 3.1157 3.2612 3.2612 3.3724 3.3724 4.2638 4.2638 6.0581 6.0581 8.8841 8.8841 10.3169 10.3169 14.3452 14.3452 17.6070 17.6070 19.1391 19.1391 k = 0.0426 0.0086-0.0112 ( 1518 PWs) bands (ev): -13.4706 -13.4706 -5.9473 -5.9473 -0.7066 -0.7066 0.9198 0.9198 1.2762 1.2762 2.3824 2.3824 3.0850 3.0850 3.2652 3.2652 3.3898 3.3898 4.2717 4.2717 6.0812 6.0812 8.8801 8.8801 10.3153 10.3153 14.3495 14.3495 17.5788 17.5788 19.0806 19.0806 k = 0.0532 0.0107-0.0140 ( 1519 PWs) bands (ev): -13.4678 -13.4678 -5.9542 -5.9542 -0.6981 -0.6981 0.9189 0.9189 1.2765 1.2765 2.3682 2.3682 3.0541 3.0541 3.2642 3.2642 3.4100 3.4100 4.2822 4.2822 6.1101 6.1101 8.8750 8.8750 10.3134 10.3134 14.3549 14.3549 17.5408 17.5408 19.0171 19.0171 k = 0.0638 0.0128-0.0168 ( 1520 PWs) bands (ev): -13.4644 -13.4644 -5.9626 -5.9626 -0.6879 -0.6879 0.9176 0.9176 1.2769 1.2769 2.3507 2.3507 3.0238 3.0238 3.2600 3.2600 3.4309 3.4309 4.2952 4.2952 6.1446 6.1446 8.8689 8.8689 10.3112 10.3112 14.3615 14.3615 17.4918 17.4918 18.9536 18.9536 k = 0.0745 0.0150-0.0196 ( 1519 PWs) bands (ev): -13.4603 -13.4603 -5.9724 -5.9724 -0.6758 -0.6758 0.9160 0.9160 1.2773 1.2773 2.3301 2.3301 2.9944 2.9944 3.2538 3.2538 3.4513 3.4513 4.3111 4.3111 6.1840 6.1840 8.8616 8.8616 10.3088 10.3088 14.3691 14.3691 17.4309 17.4309 18.8938 18.8938 k = 0.0851 0.0171-0.0224 ( 1518 PWs) bands (ev): -13.4557 -13.4557 -5.9836 -5.9836 -0.6619 -0.6619 0.9138 0.9138 1.2778 1.2778 2.3064 2.3064 2.9664 2.9664 3.2463 3.2463 3.4703 3.4703 4.3298 4.3298 6.2278 6.2278 8.8533 8.8533 10.3064 10.3064 14.3778 14.3778 17.3576 17.3576 18.8407 18.8407 k = 0.0957 0.0193-0.0252 ( 1514 PWs) bands (ev): -13.4505 -13.4505 -5.9961 -5.9961 -0.6464 -0.6464 0.9111 0.9111 1.2783 1.2783 2.2797 2.2797 2.9400 2.9400 3.2381 3.2381 3.4875 3.4875 4.3516 4.3516 6.2755 6.2755 8.8439 8.8439 10.3040 10.3040 14.3874 14.3874 17.2719 17.2719 18.7960 18.7960 k = 0.1064 0.0214-0.0280 ( 1513 PWs) bands (ev): -13.4448 -13.4448 -6.0099 -6.0099 -0.6291 -0.6291 0.9076 0.9076 1.2788 1.2788 2.2501 2.2501 2.9154 2.9154 3.2294 3.2294 3.5025 3.5025 4.3764 4.3764 6.3265 6.3265 8.8335 8.8335 10.3019 10.3019 14.3979 14.3979 17.1743 17.1743 18.7605 18.7605 k = 0.1170 0.0235-0.0308 ( 1509 PWs) bands (ev): -13.4385 -13.4385 -6.0248 -6.0248 -0.6103 -0.6103 0.9034 0.9034 1.2793 1.2793 2.2180 2.2180 2.8930 2.8930 3.2205 3.2205 3.5152 3.5152 4.4043 4.4043 6.3801 6.3801 8.8221 8.8221 10.3002 10.3002 14.4092 14.4092 17.0659 17.0659 18.7342 18.7342 k = 0.1277 0.0257-0.0336 ( 1505 PWs) bands (ev): -13.4318 -13.4318 -6.0409 -6.0409 -0.5898 -0.5898 0.8983 0.8983 1.2796 1.2796 2.1835 2.1835 2.8729 2.8729 3.2116 3.2116 3.5257 3.5257 4.4352 4.4352 6.4359 6.4359 8.8097 8.8097 10.2992 10.2992 14.4212 14.4212 16.9482 16.9482 18.7165 18.7165 k = 0.1383 0.0278-0.0364 ( 1501 PWs) bands (ev): -13.4245 -13.4245 -6.0580 -6.0580 -0.5679 -0.5679 0.8923 0.8923 1.2799 1.2799 2.1470 2.1470 2.8551 2.8551 3.2027 3.2027 3.5341 3.5341 4.4690 4.4690 6.4930 6.4930 8.7964 8.7964 10.2990 10.2990 14.4338 14.4338 16.8227 16.8227 18.7066 18.7066 k = 0.1489 0.0300-0.0392 ( 1502 PWs) bands (ev): -13.4168 -13.4168 -6.0760 -6.0760 -0.5445 -0.5445 0.8853 0.8853 1.2799 1.2799 2.1089 2.1089 2.8395 2.8395 3.1939 3.1939 3.5406 3.5406 4.5055 4.5055 6.5511 6.5511 8.7822 8.7822 10.2998 10.2998 14.4468 14.4468 16.6908 16.6908 18.7035 18.7035 k = 0.1596 0.0321-0.0420 ( 1500 PWs) bands (ev): -13.4088 -13.4088 -6.0949 -6.0949 -0.5197 -0.5197 0.8771 0.8771 1.2795 1.2795 2.0697 2.0697 2.8263 2.8263 3.1850 3.1850 3.5455 3.5455 4.5444 4.5444 6.6095 6.6095 8.7671 8.7671 10.3019 10.3019 14.4602 14.4602 16.5540 16.5540 18.7063 18.7063 k = 0.1702 0.0342-0.0448 ( 1497 PWs) bands (ev): -13.4003 -13.4003 -6.1145 -6.1145 -0.4936 -0.4936 0.8679 0.8679 1.2788 1.2788 2.0297 2.0297 2.8152 2.8152 3.1763 3.1763 3.5492 3.5492 4.5856 4.5856 6.6677 6.6677 8.7512 8.7512 10.3056 10.3056 14.4738 14.4738 16.4135 16.4135 18.7140 18.7140 k = 0.1809 0.0364-0.0476 ( 1496 PWs) bands (ev): -13.3915 -13.3915 -6.1348 -6.1348 -0.4663 -0.4663 0.8576 0.8576 1.2775 1.2775 1.9894 1.9894 2.8062 2.8062 3.1675 3.1675 3.5519 3.5519 4.6287 4.6287 6.7252 6.7252 8.7345 8.7345 10.3111 10.3111 14.4874 14.4874 16.2706 16.2706 18.7258 18.7258 k = 0.1915 0.0385-0.0504 ( 1496 PWs) bands (ev): -13.3823 -13.3823 -6.1557 -6.1557 -0.4378 -0.4378 0.8462 0.8462 1.2755 1.2755 1.9492 1.9492 2.7990 2.7990 3.1586 3.1586 3.5542 3.5542 4.6736 4.6736 6.7814 6.7814 8.7171 8.7171 10.3188 10.3188 14.5009 14.5009 16.1261 16.1261 18.7411 18.7411 k = 0.2021 0.0407-0.0532 ( 1497 PWs) bands (ev): -13.3729 -13.3729 -6.1771 -6.1771 -0.4082 -0.4082 0.8336 0.8336 1.2727 1.2727 1.9095 1.9095 2.7934 2.7934 3.1497 3.1497 3.5563 3.5563 4.7199 4.7199 6.8358 6.8358 8.6990 8.6990 10.3289 10.3289 14.5140 14.5140 15.9811 15.9811 18.7592 18.7592 k = 0.2128 0.0428-0.0560 ( 1496 PWs) bands (ev): -13.3633 -13.3633 -6.1989 -6.1989 -0.3775 -0.3775 0.8200 0.8200 1.2690 1.2690 1.8707 1.8707 2.7892 2.7892 3.1407 3.1407 3.5585 3.5585 4.7675 4.7675 6.8880 6.8880 8.6802 8.6802 10.3416 10.3416 14.5263 14.5263 15.8363 15.8363 18.7796 18.7796 k = 0.2234 0.0450-0.0588 ( 1496 PWs) bands (ev): -13.3534 -13.3534 -6.2210 -6.2210 -0.3460 -0.3460 0.8053 0.8053 1.2642 1.2642 1.8330 1.8330 2.7861 2.7861 3.1316 3.1316 3.5613 3.5613 4.8160 4.8160 6.9377 6.9377 8.6610 8.6610 10.3573 10.3573 14.5374 14.5374 15.6928 15.6928 18.8017 18.8017 k = 0.2340 0.0471-0.0616 ( 1497 PWs) bands (ev): -13.3434 -13.3434 -6.2433 -6.2433 -0.3136 -0.3136 0.7897 0.7897 1.2582 1.2582 1.7968 1.7968 2.7839 2.7839 3.1226 3.1226 3.5649 3.5649 4.8652 4.8652 6.9842 6.9842 8.6412 8.6412 10.3761 10.3761 14.5467 14.5467 15.5516 15.5516 18.8251 18.8251 k = 0.2447 0.0492-0.0644 ( 1493 PWs) bands (ev): -13.3333 -13.3333 -6.2656 -6.2656 -0.2804 -0.2804 0.7732 0.7732 1.2510 1.2510 1.7622 1.7622 2.7822 2.7822 3.1137 3.1137 3.5695 3.5695 4.9150 4.9150 7.0275 7.0275 8.6211 8.6211 10.3985 10.3985 14.5531 14.5531 15.4140 15.4140 18.8494 18.8494 k = 0.2553 0.0514-0.0672 ( 1493 PWs) bands (ev): -13.3231 -13.3231 -6.2880 -6.2880 -0.2466 -0.2466 0.7560 0.7560 1.2426 1.2426 1.7295 1.7295 2.7809 2.7809 3.1050 3.1050 3.5753 3.5753 4.9651 4.9651 7.0671 7.0671 8.6006 8.6006 10.4244 10.4244 14.5549 14.5549 15.2820 15.2820 18.8741 18.8741 k = 0.2660 0.0535-0.0700 ( 1496 PWs) bands (ev): -13.3129 -13.3129 -6.3103 -6.3103 -0.2122 -0.2122 0.7380 0.7380 1.2329 1.2329 1.6985 1.6985 2.7794 2.7794 3.0968 3.0968 3.5824 3.5824 5.0154 5.0154 7.1028 7.1028 8.5799 8.5799 10.4542 10.4542 14.5491 14.5491 15.1588 15.1588 18.8989 18.8989 k = 0.2766 0.0557-0.0728 ( 1495 PWs) bands (ev): -13.3027 -13.3027 -6.3323 -6.3323 -0.1774 -0.1774 0.7196 0.7196 1.2220 1.2220 1.6694 1.6694 2.7777 2.7777 3.0892 3.0892 3.5908 3.5908 5.0655 5.0655 7.1344 7.1344 8.5590 8.5590 10.4878 10.4878 14.5309 14.5309 15.0494 15.0494 18.9235 18.9235 k = 0.2872 0.0578-0.0756 ( 1494 PWs) bands (ev): -13.2926 -13.2926 -6.3541 -6.3541 -0.1422 -0.1422 0.7008 0.7008 1.2101 1.2101 1.6421 1.6421 2.7754 2.7754 3.0825 3.0825 3.6007 3.6007 5.1155 5.1155 7.1619 7.1619 8.5381 8.5381 10.5254 10.5254 14.4935 14.4935 14.9607 14.9607 18.9474 18.9474 k = 0.2979 0.0599-0.0784 ( 1498 PWs) bands (ev): -13.2826 -13.2826 -6.3755 -6.3755 -0.1069 -0.1069 0.6818 0.6818 1.1972 1.1972 1.6164 1.6164 2.7723 2.7723 3.0767 3.0767 3.6118 3.6118 5.1650 5.1650 7.1851 7.1851 8.5172 8.5172 10.5670 10.5670 14.4314 14.4314 14.8984 14.8984 18.9703 18.9703 k = 0.3085 0.0621-0.0812 ( 1497 PWs) bands (ev): -13.2727 -13.2727 -6.3964 -6.3964 -0.0716 -0.0716 0.6628 0.6628 1.1837 1.1837 1.5921 1.5921 2.7683 2.7683 3.0720 3.0720 3.6242 3.6242 5.2139 5.2139 7.2042 7.2042 8.4964 8.4964 10.6126 10.6126 14.3458 14.3458 14.8615 14.8615 18.9921 18.9921 k = 0.3191 0.0642-0.0840 ( 1497 PWs) bands (ev): -13.2631 -13.2631 -6.4168 -6.4168 -0.0364 -0.0364 0.6440 0.6440 1.1698 1.1698 1.5690 1.5690 2.7634 2.7634 3.0686 3.0686 3.6378 3.6378 5.2621 5.2621 7.2192 7.2192 8.4759 8.4759 10.6620 10.6620 14.2437 14.2437 14.8429 14.8429 19.0122 19.0122 k = 0.3298 0.0664-0.0868 ( 1495 PWs) bands (ev): -13.2537 -13.2537 -6.4365 -6.4365 -0.0015 -0.0015 0.6257 0.6257 1.1556 1.1556 1.5469 1.5469 2.7575 2.7575 3.0662 3.0662 3.6523 3.6523 5.3093 5.3093 7.2303 7.2303 8.4558 8.4558 10.7150 10.7150 14.1323 14.1323 14.8357 14.8357 19.0306 19.0306 k = 0.3404 0.0685-0.0896 ( 1495 PWs) bands (ev): -13.2446 -13.2446 -6.4555 -6.4555 0.0328 0.0328 0.6080 0.6080 1.1414 1.1414 1.5256 1.5256 2.7507 2.7507 3.0651 3.0651 3.6677 3.6677 5.3554 5.3554 7.2376 7.2376 8.4362 8.4362 10.7716 10.7716 14.0164 14.0164 14.8351 14.8351 19.0470 19.0470 k = 0.3511 0.0706-0.0924 ( 1495 PWs) bands (ev): -13.2359 -13.2359 -6.4736 -6.4736 0.0663 0.0663 0.5912 0.5912 1.1273 1.1273 1.5049 1.5049 2.7433 2.7433 3.0648 3.0648 3.6836 3.6836 5.4001 5.4001 7.2416 7.2416 8.4171 8.4171 10.8313 10.8313 13.8990 13.8990 14.8382 14.8382 19.0613 19.0613 k = 0.3617 0.0728-0.0952 ( 1493 PWs) bands (ev): -13.2275 -13.2275 -6.4909 -6.4909 0.0987 0.0987 0.5757 0.5757 1.1137 1.1137 1.4847 1.4847 2.7354 2.7354 3.0655 3.0655 3.7000 3.7000 5.4434 5.4434 7.2426 7.2426 8.3987 8.3987 10.8940 10.8940 13.7818 13.7818 14.8435 14.8435 19.0733 19.0733 k = 0.3723 0.0749-0.0980 ( 1492 PWs) bands (ev): -13.2196 -13.2196 -6.5072 -6.5072 0.1296 0.1296 0.5616 0.5616 1.1005 1.1005 1.4650 1.4650 2.7272 2.7272 3.0668 3.0668 3.7164 3.7164 5.4849 5.4849 7.2408 7.2408 8.3811 8.3811 10.9592 10.9592 13.6659 13.6659 14.8499 14.8499 19.0830 19.0830 k = 0.3830 0.0771-0.1008 ( 1491 PWs) bands (ev): -13.2122 -13.2122 -6.5224 -6.5224 0.1587 0.1587 0.5495 0.5495 1.0880 1.0880 1.4456 1.4456 2.7189 2.7189 3.0686 3.0686 3.7328 3.7328 5.5244 5.5244 7.2367 7.2367 8.3645 8.3645 11.0264 11.0264 13.5522 13.5522 14.8568 14.8568 19.0904 19.0904 k = 0.3936 0.0792-0.1036 ( 1491 PWs) bands (ev): -13.2052 -13.2052 -6.5366 -6.5366 0.1855 0.1855 0.5395 0.5395 1.0762 1.0762 1.4267 1.4267 2.7108 2.7108 3.0708 3.0708 3.7489 3.7489 5.5618 5.5618 7.2307 7.2307 8.3488 8.3488 11.0952 11.0952 13.4413 13.4413 14.8639 14.8639 19.0957 19.0957 k = 0.4043 0.0813-0.1064 ( 1489 PWs) bands (ev): -13.1988 -13.1988 -6.5496 -6.5496 0.2095 0.2095 0.5320 0.5320 1.0652 1.0652 1.4084 1.4084 2.7030 2.7030 3.0731 3.0731 3.7643 3.7643 5.5968 5.5968 7.2234 7.2234 8.3343 8.3343 11.1650 11.1650 13.3339 13.3339 14.8709 14.8709 19.0991 19.0991 k = 0.4149 0.0835-0.1092 ( 1493 PWs) bands (ev): -13.1930 -13.1930 -6.5614 -6.5614 0.2304 0.2304 0.5273 0.5273 1.0552 1.0552 1.3907 1.3907 2.6956 2.6956 3.0755 3.0755 3.7789 3.7789 5.6291 5.6291 7.2151 7.2151 8.3210 8.3210 11.2350 11.2350 13.2306 13.2306 14.8775 14.8775 19.1009 19.1009 k = 0.4255 0.0856-0.1120 ( 1496 PWs) bands (ev): -13.1878 -13.1878 -6.5719 -6.5719 0.2477 0.2477 0.5253 0.5253 1.0461 1.0461 1.3740 1.3740 2.6888 2.6888 3.0779 3.0779 3.7924 3.7924 5.6585 5.6585 7.2064 7.2064 8.3090 8.3090 11.3043 11.3043 13.1323 13.1323 14.8835 14.8835 19.1012 19.1012 k = 0.4362 0.0878-0.1148 ( 1496 PWs) bands (ev): -13.1832 -13.1832 -6.5811 -6.5811 0.2615 0.2615 0.5260 0.5260 1.0381 1.0381 1.3586 1.3586 2.6828 2.6828 3.0801 3.0801 3.8046 3.8046 5.6847 5.6847 7.1977 7.1977 8.2985 8.2985 11.3717 11.3717 13.0401 13.0401 14.8890 14.8890 19.1006 19.1006 k = 0.4468 0.0899-0.1176 ( 1497 PWs) bands (ev): -13.1793 -13.1793 -6.5890 -6.5890 0.2719 0.2719 0.5287 0.5287 1.0311 1.0311 1.3447 1.3447 2.6775 2.6775 3.0821 3.0821 3.8153 3.8153 5.7074 5.7074 7.1894 7.1894 8.2894 8.2894 11.4356 11.4356 12.9553 12.9553 14.8937 14.8937 19.0993 19.0993 k = 0.4574 0.0920-0.1204 ( 1496 PWs) bands (ev): -13.1761 -13.1761 -6.5955 -6.5955 0.2792 0.2792 0.5328 0.5328 1.0253 1.0253 1.3327 1.3327 2.6731 2.6731 3.0838 3.0838 3.8243 3.8243 5.7265 5.7265 7.1820 7.1820 8.2818 8.2818 11.4942 11.4942 12.8799 12.8799 14.8977 14.8977 19.0977 19.0977 k = 0.4681 0.0942-0.1232 ( 1494 PWs) bands (ev): -13.1736 -13.1736 -6.6006 -6.6006 0.2842 0.2842 0.5372 0.5372 1.0207 1.0207 1.3229 1.3229 2.6697 2.6697 3.0852 3.0852 3.8315 3.8315 5.7415 5.7415 7.1758 7.1758 8.2759 8.2759 11.5448 11.5448 12.8164 12.8164 14.9009 14.9009 19.0960 19.0960 k = 0.4787 0.0963-0.1260 ( 1494 PWs) bands (ev): -13.1717 -13.1717 -6.6042 -6.6042 0.2873 0.2873 0.5411 0.5411 1.0173 1.0173 1.3156 1.3156 2.6672 2.6672 3.0862 3.0862 3.8367 3.8367 5.7524 5.7524 7.1712 7.1712 8.2716 8.2716 11.5843 11.5843 12.7675 12.7675 14.9032 14.9032 19.0947 19.0947 k = 0.4894 0.0985-0.1289 ( 1499 PWs) bands (ev): -13.1706 -13.1706 -6.6064 -6.6064 0.2889 0.2889 0.5438 0.5438 1.0153 1.0153 1.3111 1.3111 2.6657 2.6657 3.0869 3.0869 3.8398 3.8398 5.7590 5.7590 7.1682 7.1682 8.2691 8.2691 11.6098 11.6098 12.7366 12.7366 14.9046 14.9046 19.0938 19.0938 k = 0.5000 0.1006-0.1317 ( 1500 PWs) bands (ev): -13.1703 -13.1703 -6.6072 -6.6072 0.2894 0.2894 0.5448 0.5448 1.0146 1.0146 1.3096 1.3096 2.6652 2.6652 3.0871 3.0871 3.8409 3.8409 5.7612 5.7612 7.1673 7.1673 8.2682 8.2682 11.6186 11.6186 12.7259 12.7259 14.9050 14.9050 19.0935 19.0935 k = 0.5000 0.1006 0.3968 ( 1492 PWs) bands (ev): -12.7556 -12.7556 -8.0479 -8.0479 0.1383 0.1383 1.2310 1.2310 1.8835 1.8835 2.8302 2.8302 3.0369 3.0369 3.4015 3.4015 4.5814 4.5814 5.2348 5.2348 6.1541 6.1541 8.3401 8.3401 10.8569 10.8569 13.0668 13.0668 13.0932 13.0932 15.6757 15.6757 k = 0.4914 0.0989 0.3899 ( 1495 PWs) bands (ev): -12.7563 -12.7563 -8.0465 -8.0465 0.1382 0.1382 1.2309 1.2309 1.8830 1.8830 2.8288 2.8288 3.0380 3.0380 3.4011 3.4011 4.5807 4.5807 5.2362 5.2362 6.1513 6.1513 8.3399 8.3399 10.8594 10.8594 12.9720 12.9720 13.1895 13.1895 15.6780 15.6780 k = 0.4828 0.0971 0.3831 ( 1495 PWs) bands (ev): -12.7582 -12.7582 -8.0425 -8.0425 0.1379 0.1379 1.2307 1.2307 1.8815 1.8815 2.8246 2.8246 3.0410 3.0410 3.4000 3.4000 4.5787 4.5787 5.2402 5.2402 6.1431 6.1431 8.3394 8.3394 10.8671 10.8671 12.8675 12.8675 13.2990 13.2990 15.6848 15.6848 k = 0.4741 0.0954 0.3762 ( 1498 PWs) bands (ev): -12.7614 -12.7614 -8.0357 -8.0357 0.1375 0.1375 1.2303 1.2303 1.8791 1.8791 2.8181 2.8181 3.0458 3.0458 3.3981 3.3981 4.5755 4.5755 5.2465 5.2465 6.1296 6.1296 8.3385 8.3385 10.8793 10.8793 12.7654 12.7654 13.4094 13.4094 15.6961 15.6961 k = 0.4655 0.0937 0.3694 ( 1497 PWs) bands (ev): -12.7659 -12.7659 -8.0263 -8.0263 0.1368 0.1368 1.2297 1.2297 1.8757 1.8757 2.8095 2.8095 3.0519 3.0519 3.3956 3.3956 4.5712 4.5712 5.2547 5.2547 6.1114 6.1114 8.3373 8.3373 10.8957 10.8957 12.6669 12.6669 13.5202 13.5202 15.7119 15.7119 k = 0.4569 0.0919 0.3626 ( 1495 PWs) bands (ev): -12.7716 -12.7716 -8.0142 -8.0142 0.1360 0.1360 1.2290 1.2290 1.8713 1.8713 2.7993 2.7993 3.0588 3.0588 3.3923 3.3923 4.5660 4.5660 5.2641 5.2641 6.0893 6.0893 8.3358 8.3358 10.9153 10.9153 12.5728 12.5728 13.6310 13.6310 15.7322 15.7322 k = 0.4483 0.0902 0.3557 ( 1497 PWs) bands (ev): -12.7785 -12.7785 -7.9995 -7.9995 0.1349 0.1349 1.2282 1.2282 1.8660 1.8660 2.7880 2.7880 3.0660 3.0660 3.3884 3.3884 4.5602 4.5602 5.2740 5.2740 6.0641 6.0641 8.3341 8.3341 10.9368 10.9368 12.4843 12.4843 13.7414 13.7414 15.7568 15.7568 k = 0.4397 0.0885 0.3489 ( 1497 PWs) bands (ev): -12.7866 -12.7866 -7.9823 -7.9823 0.1335 0.1335 1.2271 1.2271 1.8598 1.8598 2.7758 2.7758 3.0733 3.0733 3.3839 3.3839 4.5539 4.5539 5.2831 5.2831 6.0371 6.0371 8.3321 8.3321 10.9589 10.9589 12.4028 12.4028 13.8513 13.8513 15.7858 15.7858 k = 0.4310 0.0867 0.3420 ( 1501 PWs) bands (ev): -12.7958 -12.7958 -7.9625 -7.9625 0.1320 0.1320 1.2259 1.2259 1.8528 1.8528 2.7629 2.7629 3.0804 3.0804 3.3789 3.3789 4.5472 4.5472 5.2902 5.2902 6.0097 6.0097 8.3299 8.3299 10.9797 10.9797 12.3299 12.3299 13.9602 13.9602 15.8189 15.8189 k = 0.4224 0.0850 0.3352 ( 1502 PWs) bands (ev): -12.8061 -12.8061 -7.9403 -7.9403 0.1301 0.1301 1.2245 1.2245 1.8449 1.8449 2.7497 2.7497 3.0869 3.0869 3.3733 3.3733 4.5403 4.5403 5.2937 5.2937 5.9837 5.9837 8.3276 8.3276 10.9969 10.9969 12.2675 12.2675 14.0680 14.0680 15.8560 15.8560 k = 0.4138 0.0833 0.3284 ( 1502 PWs) bands (ev): -12.8174 -12.8174 -7.9156 -7.9156 0.1280 0.1280 1.2229 1.2229 1.8361 1.8361 2.7363 2.7363 3.0927 3.0927 3.3674 3.3674 4.5334 4.5334 5.2920 5.2920 5.9610 5.9610 8.3252 8.3252 11.0084 11.0084 12.2177 12.2177 14.1746 14.1746 15.8971 15.8971 k = 0.4052 0.0815 0.3215 ( 1502 PWs) bands (ev): -12.8298 -12.8298 -7.8886 -7.8886 0.1255 0.1255 1.2211 1.2211 1.8266 1.8266 2.7227 2.7227 3.0977 3.0977 3.3611 3.3611 4.5265 4.5265 5.2833 5.2833 5.9436 5.9436 8.3228 8.3228 11.0118 11.0118 12.1826 12.1826 14.2797 14.2797 15.9420 15.9420 k = 0.3966 0.0798 0.3147 ( 1500 PWs) bands (ev): -12.8430 -12.8430 -7.8593 -7.8593 0.1226 0.1226 1.2192 1.2192 1.8164 1.8164 2.7091 2.7091 3.1017 3.1017 3.3546 3.3546 4.5195 4.5195 5.2664 5.2664 5.9330 5.9330 8.3204 8.3204 11.0054 11.0054 12.1635 12.1635 14.3833 14.3833 15.9904 15.9904 k = 0.3879 0.0781 0.3078 ( 1503 PWs) bands (ev): -12.8571 -12.8571 -7.8277 -7.8277 0.1194 0.1194 1.2170 1.2170 1.8054 1.8054 2.6956 2.6956 3.1047 3.1047 3.3479 3.3479 4.5125 4.5125 5.2405 5.2405 5.9301 5.9301 8.3182 8.3182 10.9883 10.9883 12.1610 12.1610 14.4853 14.4853 16.0422 16.0422 k = 0.3793 0.0763 0.3010 ( 1501 PWs) bands (ev): -12.8720 -12.8720 -7.7941 -7.7941 0.1157 0.1157 1.2146 1.2146 1.7938 1.7938 2.6821 2.6821 3.1066 3.1066 3.3412 3.3412 4.5054 4.5054 5.2061 5.2061 5.9349 5.9349 8.3161 8.3161 10.9609 10.9609 12.1747 12.1747 14.5856 14.5856 16.0971 16.0971 k = 0.3707 0.0746 0.2941 ( 1498 PWs) bands (ev): -12.8877 -12.8877 -7.7584 -7.7584 0.1115 0.1115 1.2119 1.2119 1.7815 1.7815 2.6687 2.6687 3.1074 3.1074 3.3344 3.3344 4.4981 4.4981 5.1641 5.1641 5.9467 5.9467 8.3142 8.3142 10.9244 10.9244 12.2029 12.2029 14.6844 14.6844 16.1549 16.1549 k = 0.3621 0.0729 0.2873 ( 1495 PWs) bands (ev): -12.9041 -12.9041 -7.7207 -7.7207 0.1068 0.1068 1.2091 1.2091 1.7686 1.7686 2.6555 2.6555 3.1070 3.1070 3.3278 3.3278 4.4904 4.4904 5.1158 5.1158 5.9644 5.9644 8.3127 8.3127 10.8807 10.8807 12.2436 12.2436 14.7815 14.7815 16.2154 16.2154 k = 0.3534 0.0711 0.2805 ( 1498 PWs) bands (ev): -12.9210 -12.9210 -7.6811 -7.6811 0.1016 0.1016 1.2059 1.2059 1.7550 1.7550 2.6424 2.6424 3.1057 3.1057 3.3213 3.3213 4.4820 4.4820 5.0629 5.0629 5.9869 5.9869 8.3115 8.3115 10.8317 10.8317 12.2946 12.2946 14.8770 14.8770 16.2784 16.2784 k = 0.3448 0.0694 0.2736 ( 1495 PWs) bands (ev): -12.9385 -12.9385 -7.6397 -7.6397 0.0957 0.0957 1.2026 1.2026 1.7409 1.7409 2.6295 2.6295 3.1033 3.1033 3.3151 3.3151 4.4725 4.4725 5.0068 5.0068 6.0128 6.0128 8.3108 8.3108 10.7792 10.7792 12.3538 12.3538 14.9711 14.9711 16.3435 16.3435 k = 0.3362 0.0676 0.2668 ( 1494 PWs) bands (ev): -12.9565 -12.9565 -7.5966 -7.5966 0.0891 0.0891 1.1989 1.1989 1.7262 1.7262 2.6167 2.6167 3.1001 3.1001 3.3091 3.3091 4.4616 4.4616 4.9492 4.9492 6.0412 6.0412 8.3107 8.3107 10.7249 10.7249 12.4194 12.4194 15.0639 15.0639 16.4106 16.4106 k = 0.3276 0.0659 0.2599 ( 1493 PWs) bands (ev): -12.9749 -12.9749 -7.5519 -7.5519 0.0817 0.0817 1.1950 1.1950 1.7110 1.7110 2.6040 2.6040 3.0961 3.0961 3.3035 3.3035 4.4487 4.4487 4.8914 4.8914 6.0711 6.0711 8.3113 8.3113 10.6701 10.6701 12.4900 12.4900 15.1554 15.1554 16.4795 16.4795 k = 0.3190 0.0642 0.2531 ( 1495 PWs) bands (ev): -12.9936 -12.9936 -7.5056 -7.5056 0.0736 0.0736 1.1908 1.1908 1.6952 1.6952 2.5916 2.5916 3.0914 3.0914 3.2981 3.2981 4.4329 4.4329 4.8350 4.8350 6.1018 6.1018 8.3126 8.3126 10.6159 10.6159 12.5642 12.5642 15.2457 15.2457 16.5499 16.5499 k = 0.3103 0.0624 0.2463 ( 1495 PWs) bands (ev): -13.0126 -13.0126 -7.4580 -7.4580 0.0645 0.0645 1.1863 1.1863 1.6789 1.6789 2.5793 2.5793 3.0863 3.0863 3.2932 3.2932 4.4135 4.4135 4.7814 4.7814 6.1324 6.1324 8.3148 8.3148 10.5630 10.5630 12.6411 12.6411 15.3350 15.3350 16.6219 16.6219 k = 0.3017 0.0607 0.2394 ( 1494 PWs) bands (ev): -13.0319 -13.0319 -7.4090 -7.4090 0.0545 0.0545 1.1815 1.1815 1.6621 1.6621 2.5672 2.5672 3.0809 3.0809 3.2886 3.2886 4.3893 4.3893 4.7322 4.7322 6.1626 6.1626 8.3181 8.3181 10.5122 10.5122 12.7198 12.7198 15.4234 15.4234 16.6952 16.6952 k = 0.2931 0.0590 0.2326 ( 1493 PWs) bands (ev): -13.0512 -13.0512 -7.3588 -7.3588 0.0435 0.0435 1.1764 1.1764 1.6449 1.6449 2.5554 2.5554 3.0752 3.0752 3.2844 3.2844 4.3596 4.3596 4.6886 4.6886 6.1915 6.1915 8.3224 8.3224 10.4640 10.4640 12.7996 12.7996 15.5110 15.5110 16.7697 16.7697 k = 0.2845 0.0572 0.2257 ( 1495 PWs) bands (ev): -13.0707 -13.0707 -7.3075 -7.3075 0.0314 0.0314 1.1710 1.1710 1.6271 1.6271 2.5437 2.5437 3.0695 3.0695 3.2806 3.2806 4.3241 4.3241 4.6512 4.6512 6.2189 6.2189 8.3281 8.3281 10.4187 10.4187 12.8799 12.8799 15.5978 15.5978 16.8454 16.8454 k = 0.2759 0.0555 0.2189 ( 1494 PWs) bands (ev): -13.0902 -13.0902 -7.2552 -7.2552 0.0181 0.0181 1.1652 1.1652 1.6091 1.6091 2.5324 2.5324 3.0639 3.0639 3.2772 3.2772 4.2831 4.2831 4.6200 4.6200 6.2443 6.2443 8.3351 8.3351 10.3768 10.3768 12.9602 12.9602 15.6839 15.6839 16.9222 16.9222 k = 0.2672 0.0538 0.2121 ( 1492 PWs) bands (ev): -13.1097 -13.1097 -7.2020 -7.2020 0.0036 0.0036 1.1590 1.1590 1.5906 1.5906 2.5214 2.5214 3.0585 3.0585 3.2742 3.2742 4.2377 4.2377 4.5940 4.5940 6.2672 6.2672 8.3437 8.3437 10.3384 10.3384 13.0401 13.0401 15.7694 15.7694 17.0001 17.0001 k = 0.2586 0.0520 0.2052 ( 1491 PWs) bands (ev): -13.1291 -13.1291 -7.1480 -7.1480 -0.0122 -0.0122 1.1525 1.1525 1.5719 1.5719 2.5108 2.5108 3.0534 3.0534 3.2716 3.2716 4.1894 4.1894 4.5722 4.5722 6.2874 6.2874 8.3539 8.3539 10.3037 10.3037 13.1192 13.1192 15.8543 15.8543 17.0790 17.0790 k = 0.2500 0.0503 0.1984 ( 1493 PWs) bands (ev): -13.1484 -13.1484 -7.0934 -7.0934 -0.0294 -0.0294 1.1456 1.1456 1.5531 1.5531 2.5006 2.5006 3.0487 3.0487 3.2694 3.2694 4.1393 4.1393 4.5534 4.5534 6.3046 6.3046 8.3657 8.3657 10.2728 10.2728 13.1970 13.1970 15.9387 15.9387 17.1591 17.1591 k = 0.2414 0.0486 0.1915 ( 1492 PWs) bands (ev): -13.1675 -13.1675 -7.0382 -7.0382 -0.0480 -0.0480 1.1383 1.1383 1.5341 1.5341 2.4909 2.4909 3.0445 3.0445 3.2677 3.2677 4.0885 4.0885 4.5368 4.5368 6.3185 6.3185 8.3794 8.3794 10.2457 10.2457 13.2734 13.2734 16.0225 16.0225 17.2402 17.2402 k = 0.2328 0.0468 0.1847 ( 1493 PWs) bands (ev): -13.1864 -13.1864 -6.9827 -6.9827 -0.0680 -0.0680 1.1305 1.1305 1.5152 1.5152 2.4817 2.4817 3.0408 3.0408 3.2665 3.2665 4.0379 4.0379 4.5215 4.5215 6.3291 6.3291 8.3947 8.3947 10.2225 10.2225 13.3479 13.3479 16.1058 16.1058 17.3223 17.3223 k = 0.2241 0.0451 0.1779 ( 1494 PWs) bands (ev): -13.2050 -13.2050 -6.9268 -6.9268 -0.0896 -0.0896 1.1224 1.1224 1.4965 1.4965 2.4731 2.4731 3.0377 3.0377 3.2657 3.2657 3.9881 3.9881 4.5072 4.5072 6.3363 6.3363 8.4119 8.4119 10.2030 10.2030 13.4205 13.4205 16.1885 16.1885 17.4055 17.4055 k = 0.2155 0.0434 0.1710 ( 1493 PWs) bands (ev): -13.2232 -13.2232 -6.8708 -6.8708 -0.1125 -0.1125 1.1138 1.1138 1.4781 1.4781 2.4650 2.4650 3.0352 3.0352 3.2654 3.2654 3.9394 3.9394 4.4935 4.4935 6.3400 6.3400 8.4307 8.4307 10.1873 10.1873 13.4909 13.4909 16.2705 16.2705 17.4897 17.4897 k = 0.2069 0.0416 0.1642 ( 1491 PWs) bands (ev): -13.2411 -13.2411 -6.8149 -6.8149 -0.1370 -0.1370 1.1047 1.1047 1.4601 1.4601 2.4575 2.4575 3.0335 3.0335 3.2655 3.2655 3.8921 3.8921 4.4801 4.4801 6.3404 6.3404 8.4510 8.4510 10.1750 10.1750 13.5590 13.5590 16.3519 16.3519 17.5749 17.5749 k = 0.1983 0.0399 0.1573 ( 1488 PWs) bands (ev): -13.2585 -13.2585 -6.7590 -6.7590 -0.1629 -0.1629 1.0953 1.0953 1.4427 1.4427 2.4507 2.4507 3.0324 3.0324 3.2662 3.2662 3.8465 3.8465 4.4669 4.4669 6.3375 6.3375 8.4729 8.4729 10.1662 10.1662 13.6245 13.6245 16.4326 16.4326 17.6610 17.6610 k = 0.1897 0.0382 0.1505 ( 1491 PWs) bands (ev): -13.2755 -13.2755 -6.7035 -6.7035 -0.1902 -0.1902 1.0854 1.0854 1.4261 1.4261 2.4444 2.4444 3.0320 3.0320 3.2674 3.2674 3.8026 3.8026 4.4539 4.4539 6.3316 6.3316 8.4959 8.4959 10.1605 10.1605 13.6873 13.6873 16.5125 16.5125 17.7479 17.7479 k = 0.1810 0.0364 0.1437 ( 1493 PWs) bands (ev): -13.2921 -13.2921 -6.6485 -6.6485 -0.2188 -0.2188 1.0752 1.0752 1.4102 1.4102 2.4388 2.4388 3.0324 3.0324 3.2691 3.2691 3.7605 3.7605 4.4409 4.4409 6.3228 6.3228 8.5201 8.5201 10.1578 10.1578 13.7474 13.7474 16.5914 16.5914 17.8356 17.8356 k = 0.1724 0.0347 0.1368 ( 1494 PWs) bands (ev): -13.3080 -13.3080 -6.5941 -6.5941 -0.2485 -0.2485 1.0647 1.0647 1.3953 1.3953 2.4338 2.4338 3.0335 3.0335 3.2713 3.2713 3.7202 3.7202 4.4279 4.4279 6.3115 6.3115 8.5450 8.5450 10.1578 10.1578 13.8046 13.8046 16.6693 16.6693 17.9237 17.9237 k = 0.1638 0.0330 0.1300 ( 1495 PWs) bands (ev): -13.3234 -13.3234 -6.5405 -6.5405 -0.2792 -0.2792 1.0540 1.0540 1.3814 1.3814 2.4294 2.4294 3.0353 3.0353 3.2740 3.2740 3.6818 3.6818 4.4150 4.4150 6.2980 6.2980 8.5706 8.5706 10.1604 10.1604 13.8589 13.8589 16.7461 16.7461 18.0123 18.0123 k = 0.1552 0.0312 0.1231 ( 1498 PWs) bands (ev): -13.3382 -13.3382 -6.4879 -6.4879 -0.3108 -0.3108 1.0431 1.0431 1.3684 1.3684 2.4255 2.4255 3.0379 3.0379 3.2771 3.2771 3.6451 3.6451 4.4021 4.4021 6.2825 6.2825 8.5964 8.5964 10.1651 10.1651 13.9102 13.9102 16.8215 16.8215 18.1011 18.1011 k = 0.1466 0.0295 0.1163 ( 1500 PWs) bands (ev): -13.3524 -13.3524 -6.4365 -6.4365 -0.3431 -0.3431 1.0322 1.0322 1.3566 1.3566 2.4222 2.4222 3.0412 3.0412 3.2806 3.2806 3.6102 3.6102 4.3894 4.3894 6.2655 6.2655 8.6224 8.6224 10.1717 10.1717 13.9585 13.9585 16.8953 16.8953 18.1898 18.1898 k = 0.1379 0.0278 0.1095 ( 1500 PWs) bands (ev): -13.3659 -13.3659 -6.3864 -6.3864 -0.3757 -0.3757 1.0214 1.0214 1.3457 1.3457 2.4193 2.4193 3.0453 3.0453 3.2845 3.2845 3.5770 3.5770 4.3768 4.3768 6.2472 6.2472 8.6482 8.6482 10.1800 10.1800 14.0037 14.0037 16.9675 16.9675 18.2782 18.2782 k = 0.1293 0.0260 0.1026 ( 1497 PWs) bands (ev): -13.3788 -13.3788 -6.3379 -6.3379 -0.4085 -0.4085 1.0107 1.0107 1.3358 1.3358 2.4169 2.4169 3.0500 3.0500 3.2887 3.2887 3.5453 3.5453 4.3644 4.3644 6.2281 6.2281 8.6735 8.6735 10.1896 10.1896 14.0460 14.0460 17.0377 17.0377 18.3659 18.3659 k = 0.1207 0.0243 0.0958 ( 1496 PWs) bands (ev): -13.3909 -13.3909 -6.2912 -6.2912 -0.4411 -0.4411 1.0003 1.0003 1.3269 1.3269 2.4149 2.4149 3.0555 3.0555 3.2932 3.2932 3.5153 3.5153 4.3524 4.3524 6.2084 6.2084 8.6983 8.6983 10.2003 10.2003 14.0852 14.0852 17.1056 17.1056 18.4527 18.4527 k = 0.1121 0.0225 0.0889 ( 1497 PWs) bands (ev): -13.4023 -13.4023 -6.2465 -6.2465 -0.4733 -0.4733 0.9903 0.9903 1.3189 1.3189 2.4132 2.4132 3.0617 3.0617 3.2978 3.2978 3.4867 3.4867 4.3406 4.3406 6.1885 6.1885 8.7222 8.7222 10.2117 10.2117 14.1214 14.1214 17.1710 17.1710 18.5380 18.5380 k = 0.1034 0.0208 0.0821 ( 1499 PWs) bands (ev): -13.4129 -13.4129 -6.2039 -6.2039 -0.5048 -0.5048 0.9807 0.9807 1.3118 1.3118 2.4118 2.4118 3.0686 3.0686 3.3026 3.3026 3.4597 3.4597 4.3293 4.3293 6.1687 6.1687 8.7450 8.7450 10.2236 10.2236 14.1547 14.1547 17.2336 17.2336 18.6214 18.6214 k = 0.0948 0.0191 0.0752 ( 1504 PWs) bands (ev): -13.4227 -13.4227 -6.1638 -6.1638 -0.5353 -0.5353 0.9716 0.9716 1.3054 1.3054 2.4108 2.4108 3.0762 3.0762 3.3072 3.3072 3.4340 3.4340 4.3184 4.3184 6.1493 6.1493 8.7666 8.7666 10.2358 10.2358 14.1850 14.1850 17.2931 17.2931 18.7024 18.7024 k = 0.0862 0.0173 0.0684 ( 1508 PWs) bands (ev): -13.4318 -13.4318 -6.1263 -6.1263 -0.5644 -0.5644 0.9632 0.9632 1.2998 1.2998 2.4099 2.4099 3.0844 3.0844 3.3115 3.3115 3.4099 3.4099 4.3082 4.3082 6.1305 6.1305 8.7868 8.7868 10.2478 10.2478 14.2125 14.2125 17.3490 17.3490 18.7805 18.7805 k = 0.0776 0.0156 0.0616 ( 1511 PWs) bands (ev): -13.4401 -13.4401 -6.0916 -6.0916 -0.5919 -0.5919 0.9554 0.9554 1.2949 1.2949 2.4092 2.4092 3.0933 3.0933 3.3151 3.3151 3.3876 3.3876 4.2986 4.2986 6.1128 6.1128 8.8055 8.8055 10.2596 10.2596 14.2371 14.2371 17.4011 17.4011 18.8550 18.8550 k = 0.0690 0.0139 0.0547 ( 1515 PWs) bands (ev): -13.4475 -13.4475 -6.0599 -6.0599 -0.6174 -0.6174 0.9484 0.9484 1.2906 1.2906 2.4088 2.4088 3.1029 3.1029 3.3171 3.3171 3.3678 3.3678 4.2897 4.2897 6.0962 6.0962 8.8225 8.8225 10.2708 10.2708 14.2589 14.2589 17.4489 17.4489 18.9252 18.9252 k = 0.0603 0.0121 0.0479 ( 1519 PWs) bands (ev): -13.4541 -13.4541 -6.0314 -6.0314 -0.6406 -0.6406 0.9421 0.9421 1.2870 1.2870 2.4084 2.4084 3.1131 3.1131 3.3150 3.3150 3.3530 3.3530 4.2817 4.2817 6.0810 6.0810 8.8378 8.8378 10.2813 10.2813 14.2780 14.2780 17.4922 17.4922 18.9903 18.9903 k = 0.0517 0.0104 0.0410 ( 1519 PWs) bands (ev): -13.4598 -13.4598 -6.0063 -6.0063 -0.6613 -0.6613 0.9366 0.9366 1.2839 1.2839 2.4081 2.4081 3.1239 3.1239 3.3054 3.3054 3.3461 3.3461 4.2746 4.2746 6.0674 6.0674 8.8512 8.8512 10.2907 10.2907 14.2945 14.2945 17.5305 17.5305 19.0494 19.0494 k = 0.0431 0.0087 0.0342 ( 1520 PWs) bands (ev): -13.4646 -13.4646 -5.9848 -5.9848 -0.6793 -0.6793 0.9319 0.9319 1.2813 1.2813 2.4080 2.4080 3.1353 3.1353 3.2905 3.2905 3.3452 3.3452 4.2684 4.2684 6.0557 6.0557 8.8627 8.8627 10.2991 10.2991 14.3084 14.3084 17.5636 17.5636 19.1017 19.1017 k = 0.0345 0.0069 0.0274 ( 1521 PWs) bands (ev): -13.4686 -13.4686 -5.9670 -5.9670 -0.6944 -0.6944 0.9280 0.9280 1.2792 1.2792 2.4078 2.4078 3.1472 3.1472 3.2740 3.2740 3.3463 3.3463 4.2632 4.2632 6.0458 6.0458 8.8721 8.8721 10.3061 10.3061 14.3197 14.3197 17.5911 17.5911 19.1462 19.1462 k = 0.0259 0.0052 0.0205 ( 1524 PWs) bands (ev): -13.4717 -13.4717 -5.9530 -5.9530 -0.7062 -0.7062 0.9250 0.9250 1.2776 1.2776 2.4078 2.4078 3.1595 3.1595 3.2577 3.2577 3.3479 3.3479 4.2592 4.2592 6.0380 6.0380 8.8795 8.8795 10.3117 10.3117 14.3284 14.3284 17.6128 17.6128 19.1820 19.1820 k = 0.0172 0.0035 0.0137 ( 1524 PWs) bands (ev): -13.4740 -13.4740 -5.9429 -5.9429 -0.7148 -0.7148 0.9228 0.9228 1.2765 1.2765 2.4077 2.4077 3.1717 3.1717 3.2423 3.2423 3.3492 3.3492 4.2562 4.2562 6.0324 6.0324 8.8849 8.8849 10.3158 10.3158 14.3346 14.3346 17.6285 17.6285 19.2083 19.2083 k = 0.0086 0.0017 0.0068 ( 1526 PWs) bands (ev): -13.4753 -13.4753 -5.9369 -5.9369 -0.7200 -0.7200 0.9215 0.9215 1.2759 1.2759 2.4077 2.4077 3.1828 3.1828 3.2293 3.2293 3.3501 3.3501 4.2544 4.2544 6.0290 6.0290 8.8881 8.8881 10.3183 10.3183 14.3384 14.3384 17.6379 17.6379 19.2243 19.2243 k = 0.0000 0.0000 0.0000 ( 1527 PWs) bands (ev): -13.4757 -13.4757 -5.9348 -5.9348 -0.7218 -0.7218 0.9211 0.9211 1.2756 1.2756 2.4077 2.4077 3.1883 3.1883 3.2232 3.2232 3.3504 3.3504 4.2538 4.2538 6.0279 6.0279 8.8891 8.8891 10.3191 10.3191 14.3397 14.3397 17.6411 17.6411 19.2297 19.2297 Writing output data file HgO2.save init_run : 3.15s CPU 12.74s WALL ( 1 calls) electrons : 421.98s CPU 429.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.36s WALL ( 1 calls) Called by electrons: c_bands : 421.95s CPU 429.20s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.97s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.06s CPU 0.56s WALL ( 1 calls) newd : 0.15s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 467 calls) cegterg : 303.16s CPU 306.71s WALL ( 934 calls) Called by sum_band: Called by *egterg: h_psi : 150.81s CPU 158.93s WALL ( 13975 calls) s_psi : 10.11s CPU 10.77s WALL ( 13975 calls) g_psi : 0.18s CPU 0.33s WALL ( 12574 calls) cdiaghg : 97.10s CPU 95.86s WALL ( 13041 calls) cegterg:over : 31.22s CPU 26.76s WALL ( 12574 calls) cegterg:upda : 1.25s CPU 3.47s WALL ( 12574 calls) cegterg:last : 1.88s CPU 3.18s WALL ( 3736 calls) Called by h_psi: h_psi:vloc : 128.96s CPU 136.56s WALL ( 13975 calls) h_psi:vnl : 21.80s CPU 22.00s WALL ( 13975 calls) add_vuspsi : 3.96s CPU 7.86s WALL ( 13975 calls) General routines calbec : 17.82s CPU 13.96s WALL ( 13975 calls) fft : 0.24s CPU 1.26s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.04s CPU 130.22s WALL ( 1455536 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.02s CPU 2.18s WALL ( 934 calls) Parallel routines fft_scatter : 86.28s CPU 90.15s WALL ( 1455559 calls) PWSCF : 7m48.04s CPU 10m 3.34s WALL This run was terminated on: 9: 2:28 29May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=