Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:48:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 113 83 23 2780 1726 262 Max 114 84 24 2782 1750 264 Sum 4085 2997 847 100107 62489 9459 bravais-lattice index = 14 lattice parameter (alat) = 14.7301 a.u. unit-cell volume = 1307.3401 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.730053 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.830382 celldm(5)= -0.671617 celldm(6)= 0.501999 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.501999 0.864868 0.000000 ) a(3) = ( -0.671617 -0.570297 0.472962 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.580435 0.720137 ) b(2) = ( 0.000000 1.156246 1.394200 ) b(3) = ( 0.000000 0.000000 2.114337 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( -0.0071341 0.0123897 0.0198929), wk = 0.0031847 k( 3) = ( -0.0142683 0.0247795 0.0397858), wk = 0.0031847 k( 4) = ( -0.0214025 0.0371692 0.0596786), wk = 0.0031847 k( 5) = ( -0.0285366 0.0495590 0.0795715), wk = 0.0031847 k( 6) = ( -0.0356708 0.0619487 0.0994643), wk = 0.0031847 k( 7) = ( -0.0428049 0.0743385 0.1193572), wk = 0.0031847 k( 8) = ( -0.0499391 0.0867282 0.1392501), wk = 0.0031847 k( 9) = ( -0.0570732 0.0991179 0.1591430), wk = 0.0031847 k( 10) = ( -0.0642074 0.1115077 0.1790359), wk = 0.0031847 k( 11) = ( -0.0713415 0.1238974 0.1989287), wk = 0.0031847 k( 12) = ( -0.0784757 0.1362872 0.2188216), wk = 0.0031847 k( 13) = ( -0.0856098 0.1486769 0.2387144), wk = 0.0031847 k( 14) = ( -0.0927440 0.1610667 0.2586073), wk = 0.0031847 k( 15) = ( -0.0998781 0.1734564 0.2785002), wk = 0.0031847 k( 16) = ( -0.1070123 0.1858462 0.2983931), wk = 0.0031847 k( 17) = ( -0.1141464 0.1982359 0.3182859), wk = 0.0031847 k( 18) = ( -0.1212806 0.2106257 0.3381788), wk = 0.0031847 k( 19) = ( -0.1284147 0.2230154 0.3580717), wk = 0.0031847 k( 20) = ( -0.1355489 0.2354051 0.3779645), wk = 0.0031847 k( 21) = ( -0.1426831 0.2477949 0.3978574), wk = 0.0031847 k( 22) = ( -0.1498172 0.2601846 0.4177503), wk = 0.0031847 k( 23) = ( -0.1569514 0.2725744 0.4376432), wk = 0.0031847 k( 24) = ( -0.1640855 0.2849641 0.4575360), wk = 0.0031847 k( 25) = ( -0.1712197 0.2973539 0.4774289), wk = 0.0031847 k( 26) = ( -0.1783538 0.3097436 0.4973218), wk = 0.0031847 k( 27) = ( -0.1854880 0.3221333 0.5172147), wk = 0.0031847 k( 28) = ( -0.1926221 0.3345231 0.5371075), wk = 0.0031847 k( 29) = ( -0.1997563 0.3469128 0.5570004), wk = 0.0031847 k( 30) = ( -0.2068904 0.3593026 0.5768933), wk = 0.0031847 k( 31) = ( -0.2140246 0.3716923 0.5967861), wk = 0.0031847 k( 32) = ( -0.2211587 0.3840821 0.6166790), wk = 0.0031847 k( 33) = ( -0.2282929 0.3964718 0.6365719), wk = 0.0031847 k( 34) = ( -0.2354270 0.4088615 0.6564648), wk = 0.0031847 k( 35) = ( -0.2425612 0.4212513 0.6763576), wk = 0.0031847 k( 36) = ( -0.2496954 0.4336410 0.6962505), wk = 0.0031847 k( 37) = ( -0.2568295 0.4460308 0.7161434), wk = 0.0031847 k( 38) = ( -0.2639636 0.4584205 0.7360362), wk = 0.0031847 k( 39) = ( -0.2710978 0.4708103 0.7559291), wk = 0.0031847 k( 40) = ( -0.2782320 0.4832000 0.7758220), wk = 0.0031847 k( 41) = ( -0.2782320 0.4832000 0.7758220), wk = 0.0031847 k( 42) = ( -0.2684648 0.4662376 0.7898893), wk = 0.0031847 k( 43) = ( -0.2586977 0.4492753 0.8039566), wk = 0.0031847 k( 44) = ( -0.2489306 0.4323129 0.8180240), wk = 0.0031847 k( 45) = ( -0.2391635 0.4153506 0.8320913), wk = 0.0031847 k( 46) = ( -0.2293964 0.3983882 0.8461586), wk = 0.0031847 k( 47) = ( -0.2196293 0.3814258 0.8602259), wk = 0.0031847 k( 48) = ( -0.2098621 0.3644635 0.8742932), wk = 0.0031847 k( 49) = ( -0.2000950 0.3475011 0.8883605), wk = 0.0031847 k( 50) = ( -0.1903279 0.3305388 0.9024279), wk = 0.0031847 k( 51) = ( -0.1805608 0.3135764 0.9164952), wk = 0.0031847 k( 52) = ( -0.1707937 0.2966140 0.9305625), wk = 0.0031847 k( 53) = ( -0.1610266 0.2796517 0.9446298), wk = 0.0031847 k( 54) = ( -0.1512594 0.2626893 0.9586972), wk = 0.0031847 k( 55) = ( -0.1414923 0.2457270 0.9727645), wk = 0.0031847 k( 56) = ( -0.1317252 0.2287646 0.9868318), wk = 0.0031847 k( 57) = ( -0.1219581 0.2118022 1.0008991), wk = 0.0031847 k( 58) = ( -0.1121910 0.1948399 1.0149664), wk = 0.0031847 k( 59) = ( -0.1024239 0.1778775 1.0290338), wk = 0.0031847 k( 60) = ( -0.0926567 0.1609152 1.0431011), wk = 0.0031847 k( 61) = ( -0.0828896 0.1439528 1.0571684), wk = 0.0031847 k( 62) = ( -0.0828896 0.1439528 1.0571684), wk = 0.0031847 k( 63) = ( -0.0710482 0.1233881 1.0571684), wk = 0.0031847 k( 64) = ( -0.0592069 0.1028234 1.0571684), wk = 0.0031847 k( 65) = ( -0.0473655 0.0822587 1.0571684), wk = 0.0031847 k( 66) = ( -0.0355241 0.0616940 1.0571684), wk = 0.0031847 k( 67) = ( -0.0236827 0.0411294 1.0571684), wk = 0.0031847 k( 68) = ( -0.0118414 0.0205647 1.0571684), wk = 0.0031847 k( 69) = ( 0.0000000 0.0000000 1.0571684), wk = 0.0031847 k( 70) = ( 0.0000000 0.0000000 1.0571684), wk = 0.0031847 k( 71) = ( 0.0208333 0.0119961 1.0571684), wk = 0.0031847 k( 72) = ( 0.0416667 0.0239921 1.0571684), wk = 0.0031847 k( 73) = ( 0.0625000 0.0359882 1.0571684), wk = 0.0031847 k( 74) = ( 0.0833333 0.0479843 1.0571684), wk = 0.0031847 k( 75) = ( 0.1041667 0.0599803 1.0571684), wk = 0.0031847 k( 76) = ( 0.1250000 0.0719764 1.0571684), wk = 0.0031847 k( 77) = ( 0.1458333 0.0839725 1.0571684), wk = 0.0031847 k( 78) = ( 0.1666667 0.0959685 1.0571684), wk = 0.0031847 k( 79) = ( 0.1875000 0.1079646 1.0571684), wk = 0.0031847 k( 80) = ( 0.2083333 0.1199607 1.0571684), wk = 0.0031847 k( 81) = ( 0.2291667 0.1319567 1.0571684), wk = 0.0031847 k( 82) = ( 0.2500000 0.1439528 1.0571684), wk = 0.0031847 k( 83) = ( 0.2500000 0.1439528 1.0571684), wk = 0.0031847 k( 84) = ( 0.2400000 0.1613196 1.0427657), wk = 0.0031847 k( 85) = ( 0.2300000 0.1786864 1.0283629), wk = 0.0031847 k( 86) = ( 0.2200000 0.1960532 1.0139602), wk = 0.0031847 k( 87) = ( 0.2100000 0.2134200 0.9995575), wk = 0.0031847 k( 88) = ( 0.2000000 0.2307868 0.9851547), wk = 0.0031847 k( 89) = ( 0.1900000 0.2481536 0.9707520), wk = 0.0031847 k( 90) = ( 0.1800000 0.2655204 0.9563493), wk = 0.0031847 k( 91) = ( 0.1700000 0.2828872 0.9419465), wk = 0.0031847 k( 92) = ( 0.1600000 0.3002540 0.9275438), wk = 0.0031847 k( 93) = ( 0.1500000 0.3176208 0.9131410), wk = 0.0031847 k( 94) = ( 0.1400000 0.3349876 0.8987383), wk = 0.0031847 k( 95) = ( 0.1300000 0.3523544 0.8843356), wk = 0.0031847 k( 96) = ( 0.1200000 0.3697213 0.8699328), wk = 0.0031847 k( 97) = ( 0.1100000 0.3870881 0.8555301), wk = 0.0031847 k( 98) = ( 0.1000000 0.4044549 0.8411274), wk = 0.0031847 k( 99) = ( 0.0900000 0.4218217 0.8267246), wk = 0.0031847 k( 100) = ( 0.0800000 0.4391885 0.8123219), wk = 0.0031847 k( 101) = ( 0.0700000 0.4565553 0.7979192), wk = 0.0031847 k( 102) = ( 0.0600000 0.4739221 0.7835164), wk = 0.0031847 k( 103) = ( 0.0500000 0.4912889 0.7691137), wk = 0.0031847 k( 104) = ( 0.0400000 0.5086557 0.7547109), wk = 0.0031847 k( 105) = ( 0.0300000 0.5260225 0.7403082), wk = 0.0031847 k( 106) = ( 0.0200000 0.5433893 0.7259055), wk = 0.0031847 k( 107) = ( 0.0100000 0.5607561 0.7115027), wk = 0.0031847 k( 108) = ( 0.0000000 0.5781229 0.6971000), wk = 0.0031847 k( 109) = ( 0.0000000 0.5781229 0.6971000), wk = 0.0031847 k( 110) = ( 0.0214025 0.5854247 0.6910445), wk = 0.0031847 k( 111) = ( 0.0428049 0.5927264 0.6849889), wk = 0.0031847 k( 112) = ( 0.0642074 0.6000282 0.6789334), wk = 0.0031847 k( 113) = ( 0.0856098 0.6073300 0.6728778), wk = 0.0031847 k( 114) = ( 0.1070123 0.6146317 0.6668223), wk = 0.0031847 k( 115) = ( 0.1284147 0.6219335 0.6607668), wk = 0.0031847 k( 116) = ( 0.1498172 0.6292352 0.6547112), wk = 0.0031847 k( 117) = ( 0.1712197 0.6365370 0.6486557), wk = 0.0031847 k( 118) = ( 0.1926221 0.6438388 0.6426001), wk = 0.0031847 k( 119) = ( 0.2140246 0.6511405 0.6365446), wk = 0.0031847 k( 120) = ( 0.2354270 0.6584423 0.6304891), wk = 0.0031847 k( 121) = ( 0.2568295 0.6657440 0.6244335), wk = 0.0031847 k( 122) = ( 0.2782320 0.6730458 0.6183780), wk = 0.0031847 k( 123) = ( 0.2782320 0.6730458 0.6183780), wk = 0.0031847 k( 124) = ( 0.2853858 0.6606219 0.5984303), wk = 0.0031847 k( 125) = ( 0.2925396 0.6481981 0.5784827), wk = 0.0031847 k( 126) = ( 0.2996934 0.6357742 0.5585350), wk = 0.0031847 k( 127) = ( 0.3068472 0.6233503 0.5385873), wk = 0.0031847 k( 128) = ( 0.3140010 0.6109264 0.5186396), wk = 0.0031847 k( 129) = ( 0.3211548 0.5985025 0.4986919), wk = 0.0031847 k( 130) = ( 0.3283086 0.5860787 0.4787443), wk = 0.0031847 k( 131) = ( 0.3354624 0.5736548 0.4587966), wk = 0.0031847 k( 132) = ( 0.3426162 0.5612309 0.4388489), wk = 0.0031847 k( 133) = ( 0.3497700 0.5488070 0.4189012), wk = 0.0031847 k( 134) = ( 0.3569238 0.5363832 0.3989536), wk = 0.0031847 k( 135) = ( 0.3640776 0.5239593 0.3790059), wk = 0.0031847 k( 136) = ( 0.3712315 0.5115354 0.3590582), wk = 0.0031847 k( 137) = ( 0.3783853 0.4991115 0.3391105), wk = 0.0031847 k( 138) = ( 0.3855391 0.4866876 0.3191628), wk = 0.0031847 k( 139) = ( 0.3926929 0.4742638 0.2992152), wk = 0.0031847 k( 140) = ( 0.3998467 0.4618399 0.2792675), wk = 0.0031847 k( 141) = ( 0.4070005 0.4494160 0.2593198), wk = 0.0031847 k( 142) = ( 0.4141543 0.4369921 0.2393721), wk = 0.0031847 k( 143) = ( 0.4213081 0.4245682 0.2194245), wk = 0.0031847 k( 144) = ( 0.4284619 0.4121444 0.1994768), wk = 0.0031847 k( 145) = ( 0.4356157 0.3997205 0.1795291), wk = 0.0031847 k( 146) = ( 0.4427695 0.3872966 0.1595814), wk = 0.0031847 k( 147) = ( 0.4499233 0.3748727 0.1396337), wk = 0.0031847 k( 148) = ( 0.4570771 0.3624489 0.1196861), wk = 0.0031847 k( 149) = ( 0.4642310 0.3500250 0.0997384), wk = 0.0031847 k( 150) = ( 0.4713848 0.3376011 0.0797907), wk = 0.0031847 k( 151) = ( 0.4785386 0.3251772 0.0598430), wk = 0.0031847 k( 152) = ( 0.4856924 0.3127533 0.0398954), wk = 0.0031847 k( 153) = ( 0.4928462 0.3003295 0.0199477), wk = 0.0031847 k( 154) = ( 0.5000000 0.2879056 0.0000000), wk = 0.0031847 k( 155) = ( 0.5000000 0.2879056 0.0000000), wk = 0.0031847 k( 156) = ( 0.4791667 0.2759095 0.0000000), wk = 0.0031847 k( 157) = ( 0.4583333 0.2639134 0.0000000), wk = 0.0031847 k( 158) = ( 0.4375000 0.2519174 0.0000000), wk = 0.0031847 k( 159) = ( 0.4166667 0.2399213 0.0000000), wk = 0.0031847 k( 160) = ( 0.3958333 0.2279252 0.0000000), wk = 0.0031847 k( 161) = ( 0.3750000 0.2159292 0.0000000), wk = 0.0031847 k( 162) = ( 0.3541667 0.2039331 0.0000000), wk = 0.0031847 k( 163) = ( 0.3333333 0.1919371 0.0000000), wk = 0.0031847 k( 164) = ( 0.3125000 0.1799410 0.0000000), wk = 0.0031847 k( 165) = ( 0.2916667 0.1679449 0.0000000), wk = 0.0031847 k( 166) = ( 0.2708333 0.1559489 0.0000000), wk = 0.0031847 k( 167) = ( 0.2500000 0.1439528 0.0000000), wk = 0.0031847 k( 168) = ( 0.2291667 0.1319567 0.0000000), wk = 0.0031847 k( 169) = ( 0.2083333 0.1199607 0.0000000), wk = 0.0031847 k( 170) = ( 0.1875000 0.1079646 0.0000000), wk = 0.0031847 k( 171) = ( 0.1666667 0.0959685 0.0000000), wk = 0.0031847 k( 172) = ( 0.1458333 0.0839725 0.0000000), wk = 0.0031847 k( 173) = ( 0.1250000 0.0719764 0.0000000), wk = 0.0031847 k( 174) = ( 0.1041667 0.0599803 0.0000000), wk = 0.0031847 k( 175) = ( 0.0833333 0.0479843 0.0000000), wk = 0.0031847 k( 176) = ( 0.0625000 0.0359882 0.0000000), wk = 0.0031847 k( 177) = ( 0.0416667 0.0239921 0.0000000), wk = 0.0031847 k( 178) = ( 0.0208333 0.0119961 0.0000000), wk = 0.0031847 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 181) = ( 0.0098277 -0.0170675 0.0141545), wk = 0.0031847 k( 182) = ( 0.0196553 -0.0341350 0.0283091), wk = 0.0031847 k( 183) = ( 0.0294830 -0.0512026 0.0424636), wk = 0.0031847 k( 184) = ( 0.0393107 -0.0682701 0.0566181), wk = 0.0031847 k( 185) = ( 0.0491383 -0.0853376 0.0707726), wk = 0.0031847 k( 186) = ( 0.0589660 -0.1024051 0.0849272), wk = 0.0031847 k( 187) = ( 0.0687937 -0.1194726 0.0990817), wk = 0.0031847 k( 188) = ( 0.0786213 -0.1365401 0.1132362), wk = 0.0031847 k( 189) = ( 0.0884490 -0.1536077 0.1273908), wk = 0.0031847 k( 190) = ( 0.0982767 -0.1706752 0.1415453), wk = 0.0031847 k( 191) = ( 0.1081043 -0.1877427 0.1556998), wk = 0.0031847 k( 192) = ( 0.1179320 -0.2048102 0.1698544), wk = 0.0031847 k( 193) = ( 0.1277597 -0.2218777 0.1840089), wk = 0.0031847 k( 194) = ( 0.1375873 -0.2389452 0.1981634), wk = 0.0031847 k( 195) = ( 0.1474150 -0.2560128 0.2123179), wk = 0.0031847 k( 196) = ( 0.1572427 -0.2730803 0.2264725), wk = 0.0031847 k( 197) = ( 0.1670703 -0.2901478 0.2406270), wk = 0.0031847 k( 198) = ( 0.1768980 -0.3072153 0.2547815), wk = 0.0031847 k( 199) = ( 0.1867257 -0.3242828 0.2689361), wk = 0.0031847 k( 200) = ( 0.1965533 -0.3413503 0.2830906), wk = 0.0031847 k( 201) = ( 0.2063810 -0.3584179 0.2972451), wk = 0.0031847 k( 202) = ( 0.2162087 -0.3754854 0.3113996), wk = 0.0031847 k( 203) = ( 0.2260363 -0.3925529 0.3255542), wk = 0.0031847 k( 204) = ( 0.2358640 -0.4096204 0.3397087), wk = 0.0031847 k( 205) = ( 0.2456917 -0.4266879 0.3538632), wk = 0.0031847 k( 206) = ( 0.2555193 -0.4437554 0.3680178), wk = 0.0031847 k( 207) = ( 0.2653470 -0.4608230 0.3821723), wk = 0.0031847 k( 208) = ( 0.2751747 -0.4778905 0.3963268), wk = 0.0031847 k( 209) = ( 0.2850023 -0.4949580 0.4104814), wk = 0.0031847 k( 210) = ( 0.2948300 -0.5120255 0.4246359), wk = 0.0031847 k( 211) = ( 0.3046577 -0.5290930 0.4387904), wk = 0.0031847 k( 212) = ( 0.3046577 -0.5290930 0.4387904), wk = 0.0031847 k( 213) = ( 0.3196840 -0.5107180 0.4327349), wk = 0.0031847 k( 214) = ( 0.3347103 -0.4923429 0.4266793), wk = 0.0031847 k( 215) = ( 0.3497367 -0.4739679 0.4206238), wk = 0.0031847 k( 216) = ( 0.3647630 -0.4555928 0.4145683), wk = 0.0031847 k( 217) = ( 0.3797893 -0.4372178 0.4085127), wk = 0.0031847 k( 218) = ( 0.3948157 -0.4188427 0.4024572), wk = 0.0031847 k( 219) = ( 0.4098420 -0.4004676 0.3964016), wk = 0.0031847 k( 220) = ( 0.4248683 -0.3820926 0.3903461), wk = 0.0031847 k( 221) = ( 0.4398947 -0.3637175 0.3842906), wk = 0.0031847 k( 222) = ( 0.4549210 -0.3453425 0.3782350), wk = 0.0031847 k( 223) = ( 0.4699473 -0.3269674 0.3721795), wk = 0.0031847 k( 224) = ( 0.4849737 -0.3085924 0.3661240), wk = 0.0031847 k( 225) = ( 0.5000000 -0.2902173 0.3600684), wk = 0.0031847 k( 226) = ( 0.5000000 -0.2902173 0.3600684), wk = 0.0031847 k( 227) = ( 0.4928571 -0.2778125 0.3799856), wk = 0.0031847 k( 228) = ( 0.4857143 -0.2654076 0.3999027), wk = 0.0031847 k( 229) = ( 0.4785714 -0.2530028 0.4198198), wk = 0.0031847 k( 230) = ( 0.4714286 -0.2405979 0.4397370), wk = 0.0031847 k( 231) = ( 0.4642857 -0.2281930 0.4596541), wk = 0.0031847 k( 232) = ( 0.4571429 -0.2157882 0.4795713), wk = 0.0031847 k( 233) = ( 0.4500000 -0.2033833 0.4994884), wk = 0.0031847 k( 234) = ( 0.4428571 -0.1909784 0.5194056), wk = 0.0031847 k( 235) = ( 0.4357143 -0.1785736 0.5393227), wk = 0.0031847 k( 236) = ( 0.4285714 -0.1661687 0.5592398), wk = 0.0031847 k( 237) = ( 0.4214286 -0.1537639 0.5791570), wk = 0.0031847 k( 238) = ( 0.4142857 -0.1413590 0.5990741), wk = 0.0031847 k( 239) = ( 0.4071429 -0.1289541 0.6189913), wk = 0.0031847 k( 240) = ( 0.4000000 -0.1165493 0.6389084), wk = 0.0031847 k( 241) = ( 0.3928571 -0.1041444 0.6588256), wk = 0.0031847 k( 242) = ( 0.3857143 -0.0917396 0.6787427), wk = 0.0031847 k( 243) = ( 0.3785714 -0.0793347 0.6986598), wk = 0.0031847 k( 244) = ( 0.3714286 -0.0669298 0.7185770), wk = 0.0031847 k( 245) = ( 0.3642857 -0.0545250 0.7384941), wk = 0.0031847 k( 246) = ( 0.3571429 -0.0421201 0.7584113), wk = 0.0031847 k( 247) = ( 0.3500000 -0.0297153 0.7783284), wk = 0.0031847 k( 248) = ( 0.3428571 -0.0173104 0.7982456), wk = 0.0031847 k( 249) = ( 0.3357143 -0.0049055 0.8181627), wk = 0.0031847 k( 250) = ( 0.3285714 0.0074993 0.8380798), wk = 0.0031847 k( 251) = ( 0.3214286 0.0199042 0.8579970), wk = 0.0031847 k( 252) = ( 0.3142857 0.0323091 0.8779141), wk = 0.0031847 k( 253) = ( 0.3071429 0.0447139 0.8978313), wk = 0.0031847 k( 254) = ( 0.3000000 0.0571188 0.9177484), wk = 0.0031847 k( 255) = ( 0.2928571 0.0695236 0.9376656), wk = 0.0031847 k( 256) = ( 0.2857143 0.0819285 0.9575827), wk = 0.0031847 k( 257) = ( 0.2785714 0.0943333 0.9774998), wk = 0.0031847 k( 258) = ( 0.2714286 0.1067382 0.9974170), wk = 0.0031847 k( 259) = ( 0.2642857 0.1191431 1.0173341), wk = 0.0031847 k( 260) = ( 0.2571429 0.1315479 1.0372513), wk = 0.0031847 k( 261) = ( 0.2500000 0.1439528 1.0571684), wk = 0.0031847 k( 262) = ( 0.0828896 -0.1439528 1.0571684), wk = 0.0031847 k( 263) = ( 0.0900434 -0.1563767 1.0372207), wk = 0.0031847 k( 264) = ( 0.0971972 -0.1688005 1.0172731), wk = 0.0031847 k( 265) = ( 0.1043511 -0.1812244 0.9973254), wk = 0.0031847 k( 266) = ( 0.1115049 -0.1936483 0.9773777), wk = 0.0031847 k( 267) = ( 0.1186587 -0.2060722 0.9574300), wk = 0.0031847 k( 268) = ( 0.1258125 -0.2184961 0.9374824), wk = 0.0031847 k( 269) = ( 0.1329663 -0.2309199 0.9175347), wk = 0.0031847 k( 270) = ( 0.1401201 -0.2433438 0.8975870), wk = 0.0031847 k( 271) = ( 0.1472739 -0.2557677 0.8776393), wk = 0.0031847 k( 272) = ( 0.1544277 -0.2681916 0.8576916), wk = 0.0031847 k( 273) = ( 0.1615815 -0.2806155 0.8377440), wk = 0.0031847 k( 274) = ( 0.1687353 -0.2930393 0.8177963), wk = 0.0031847 k( 275) = ( 0.1758891 -0.3054632 0.7978486), wk = 0.0031847 k( 276) = ( 0.1830429 -0.3178871 0.7779009), wk = 0.0031847 k( 277) = ( 0.1901967 -0.3303110 0.7579533), wk = 0.0031847 k( 278) = ( 0.1973506 -0.3427348 0.7380056), wk = 0.0031847 k( 279) = ( 0.2045044 -0.3551587 0.7180579), wk = 0.0031847 k( 280) = ( 0.2116582 -0.3675826 0.6981102), wk = 0.0031847 k( 281) = ( 0.2188120 -0.3800065 0.6781625), wk = 0.0031847 k( 282) = ( 0.2259658 -0.3924304 0.6582149), wk = 0.0031847 k( 283) = ( 0.2331196 -0.4048542 0.6382672), wk = 0.0031847 k( 284) = ( 0.2402734 -0.4172781 0.6183195), wk = 0.0031847 k( 285) = ( 0.2474272 -0.4297020 0.5983718), wk = 0.0031847 k( 286) = ( 0.2545810 -0.4421259 0.5784242), wk = 0.0031847 k( 287) = ( 0.2617348 -0.4545498 0.5584765), wk = 0.0031847 k( 288) = ( 0.2688886 -0.4669736 0.5385288), wk = 0.0031847 k( 289) = ( 0.2760424 -0.4793975 0.5185811), wk = 0.0031847 k( 290) = ( 0.2831962 -0.4918214 0.4986335), wk = 0.0031847 k( 291) = ( 0.2903501 -0.5042453 0.4786858), wk = 0.0031847 k( 292) = ( 0.2975039 -0.5166691 0.4587381), wk = 0.0031847 k( 293) = ( 0.3046577 -0.5290930 0.4387904), wk = 0.0031847 k( 294) = ( 0.6953423 -0.0513416 0.2813464), wk = 0.0031847 k( 295) = ( 0.6855752 -0.0343793 0.2672791), wk = 0.0031847 k( 296) = ( 0.6758081 -0.0174169 0.2532118), wk = 0.0031847 k( 297) = ( 0.6660410 -0.0004546 0.2391445), wk = 0.0031847 k( 298) = ( 0.6562739 0.0165078 0.2250771), wk = 0.0031847 k( 299) = ( 0.6465068 0.0334702 0.2110098), wk = 0.0031847 k( 300) = ( 0.6367396 0.0504325 0.1969425), wk = 0.0031847 k( 301) = ( 0.6269725 0.0673949 0.1828752), wk = 0.0031847 k( 302) = ( 0.6172054 0.0843572 0.1688079), wk = 0.0031847 k( 303) = ( 0.6074383 0.1013196 0.1547405), wk = 0.0031847 k( 304) = ( 0.5976712 0.1182820 0.1406732), wk = 0.0031847 k( 305) = ( 0.5879041 0.1352443 0.1266059), wk = 0.0031847 k( 306) = ( 0.5781369 0.1522067 0.1125386), wk = 0.0031847 k( 307) = ( 0.5683698 0.1691690 0.0984713), wk = 0.0031847 k( 308) = ( 0.5586027 0.1861314 0.0844039), wk = 0.0031847 k( 309) = ( 0.5488356 0.2030938 0.0703366), wk = 0.0031847 k( 310) = ( 0.5390685 0.2200561 0.0562693), wk = 0.0031847 k( 311) = ( 0.5293014 0.2370185 0.0422020), wk = 0.0031847 k( 312) = ( 0.5195342 0.2539809 0.0281346), wk = 0.0031847 k( 313) = ( 0.5097671 0.2709432 0.0140673), wk = 0.0031847 k( 314) = ( 0.5000000 0.2879056 0.0000000), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( -0.0071341 0.0071341 0.0071342), wk = 0.0031847 k( 3) = ( -0.0142683 0.0142683 0.0142683), wk = 0.0031847 k( 4) = ( -0.0214025 0.0214025 0.0214025), wk = 0.0031847 k( 5) = ( -0.0285366 0.0285366 0.0285366), wk = 0.0031847 k( 6) = ( -0.0356708 0.0356708 0.0356708), wk = 0.0031847 k( 7) = ( -0.0428049 0.0428049 0.0428049), wk = 0.0031847 k( 8) = ( -0.0499391 0.0499391 0.0499391), wk = 0.0031847 k( 9) = ( -0.0570732 0.0570732 0.0570732), wk = 0.0031847 k( 10) = ( -0.0642074 0.0642074 0.0642074), wk = 0.0031847 k( 11) = ( -0.0713415 0.0713415 0.0713415), wk = 0.0031847 k( 12) = ( -0.0784757 0.0784757 0.0784757), wk = 0.0031847 k( 13) = ( -0.0856098 0.0856098 0.0856098), wk = 0.0031847 k( 14) = ( -0.0927440 0.0927440 0.0927440), wk = 0.0031847 k( 15) = ( -0.0998781 0.0998781 0.0998781), wk = 0.0031847 k( 16) = ( -0.1070123 0.1070123 0.1070123), wk = 0.0031847 k( 17) = ( -0.1141464 0.1141464 0.1141464), wk = 0.0031847 k( 18) = ( -0.1212806 0.1212806 0.1212806), wk = 0.0031847 k( 19) = ( -0.1284147 0.1284148 0.1284147), wk = 0.0031847 k( 20) = ( -0.1355489 0.1355489 0.1355489), wk = 0.0031847 k( 21) = ( -0.1426831 0.1426831 0.1426831), wk = 0.0031847 k( 22) = ( -0.1498172 0.1498172 0.1498172), wk = 0.0031847 k( 23) = ( -0.1569514 0.1569514 0.1569514), wk = 0.0031847 k( 24) = ( -0.1640855 0.1640855 0.1640855), wk = 0.0031847 k( 25) = ( -0.1712197 0.1712197 0.1712197), wk = 0.0031847 k( 26) = ( -0.1783538 0.1783538 0.1783538), wk = 0.0031847 k( 27) = ( -0.1854880 0.1854880 0.1854880), wk = 0.0031847 k( 28) = ( -0.1926221 0.1926221 0.1926221), wk = 0.0031847 k( 29) = ( -0.1997563 0.1997563 0.1997563), wk = 0.0031847 k( 30) = ( -0.2068904 0.2068904 0.2068904), wk = 0.0031847 k( 31) = ( -0.2140246 0.2140246 0.2140246), wk = 0.0031847 k( 32) = ( -0.2211587 0.2211587 0.2211587), wk = 0.0031847 k( 33) = ( -0.2282929 0.2282929 0.2282929), wk = 0.0031847 k( 34) = ( -0.2354270 0.2354270 0.2354270), wk = 0.0031847 k( 35) = ( -0.2425612 0.2425612 0.2425612), wk = 0.0031847 k( 36) = ( -0.2496954 0.2496954 0.2496954), wk = 0.0031847 k( 37) = ( -0.2568295 0.2568295 0.2568295), wk = 0.0031847 k( 38) = ( -0.2639636 0.2639637 0.2639637), wk = 0.0031847 k( 39) = ( -0.2710978 0.2710978 0.2710978), wk = 0.0031847 k( 40) = ( -0.2782320 0.2782320 0.2782320), wk = 0.0031847 k( 41) = ( -0.2782320 0.2782320 0.2782320), wk = 0.0031847 k( 42) = ( -0.2684648 0.2684648 0.2879991), wk = 0.0031847 k( 43) = ( -0.2586977 0.2586977 0.2977662), wk = 0.0031847 k( 44) = ( -0.2489306 0.2489306 0.3075333), wk = 0.0031847 k( 45) = ( -0.2391635 0.2391635 0.3173004), wk = 0.0031847 k( 46) = ( -0.2293964 0.2293964 0.3270675), wk = 0.0031847 k( 47) = ( -0.2196293 0.2196293 0.3368347), wk = 0.0031847 k( 48) = ( -0.2098621 0.2098621 0.3466018), wk = 0.0031847 k( 49) = ( -0.2000950 0.2000950 0.3563689), wk = 0.0031847 k( 50) = ( -0.1903279 0.1903279 0.3661360), wk = 0.0031847 k( 51) = ( -0.1805608 0.1805608 0.3759031), wk = 0.0031847 k( 52) = ( -0.1707937 0.1707937 0.3856702), wk = 0.0031847 k( 53) = ( -0.1610266 0.1610266 0.3954374), wk = 0.0031847 k( 54) = ( -0.1512594 0.1512594 0.4052045), wk = 0.0031847 k( 55) = ( -0.1414923 0.1414923 0.4149716), wk = 0.0031847 k( 56) = ( -0.1317252 0.1317252 0.4247387), wk = 0.0031847 k( 57) = ( -0.1219581 0.1219581 0.4345058), wk = 0.0031847 k( 58) = ( -0.1121910 0.1121910 0.4442729), wk = 0.0031847 k( 59) = ( -0.1024239 0.1024239 0.4540401), wk = 0.0031847 k( 60) = ( -0.0926567 0.0926567 0.4638072), wk = 0.0031847 k( 61) = ( -0.0828896 0.0828896 0.4735743), wk = 0.0031847 k( 62) = ( -0.0828896 0.0828896 0.4735743), wk = 0.0031847 k( 63) = ( -0.0710482 0.0710483 0.4773494), wk = 0.0031847 k( 64) = ( -0.0592069 0.0592069 0.4811245), wk = 0.0031847 k( 65) = ( -0.0473655 0.0473655 0.4848996), wk = 0.0031847 k( 66) = ( -0.0355241 0.0355241 0.4886747), wk = 0.0031847 k( 67) = ( -0.0236827 0.0236827 0.4924498), wk = 0.0031847 k( 68) = ( -0.0118414 0.0118414 0.4962249), wk = 0.0031847 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 70) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031847 k( 71) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0031847 k( 72) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0031847 k( 73) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0031847 k( 74) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031847 k( 75) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0031847 k( 76) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031847 k( 77) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0031847 k( 78) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031847 k( 79) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0031847 k( 80) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0031847 k( 81) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0031847 k( 82) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031847 k( 83) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031847 k( 84) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0031847 k( 85) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0031847 k( 86) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0031847 k( 87) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0031847 k( 88) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0031847 k( 89) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0031847 k( 90) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0031847 k( 91) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0031847 k( 92) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0031847 k( 93) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0031847 k( 94) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0031847 k( 95) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0031847 k( 96) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0031847 k( 97) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0031847 k( 98) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0031847 k( 99) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0031847 k( 100) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0031847 k( 101) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0031847 k( 102) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0031847 k( 103) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0031847 k( 104) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0031847 k( 105) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0031847 k( 106) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0031847 k( 107) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0031847 k( 108) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031847 k( 109) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031847 k( 110) = ( 0.0214025 0.5170591 -0.0214025), wk = 0.0031847 k( 111) = ( 0.0428049 0.5341182 -0.0428049), wk = 0.0031847 k( 112) = ( 0.0642074 0.5511772 -0.0642074), wk = 0.0031847 k( 113) = ( 0.0856098 0.5682363 -0.0856098), wk = 0.0031847 k( 114) = ( 0.1070123 0.5852954 -0.1070123), wk = 0.0031847 k( 115) = ( 0.1284147 0.6023545 -0.1284147), wk = 0.0031847 k( 116) = ( 0.1498172 0.6194136 -0.1498172), wk = 0.0031847 k( 117) = ( 0.1712197 0.6364726 -0.1712197), wk = 0.0031847 k( 118) = ( 0.1926221 0.6535317 -0.1926221), wk = 0.0031847 k( 119) = ( 0.2140246 0.6705908 -0.2140246), wk = 0.0031847 k( 120) = ( 0.2354270 0.6876499 -0.2354270), wk = 0.0031847 k( 121) = ( 0.2568295 0.7047090 -0.2568295), wk = 0.0031847 k( 122) = ( 0.2782320 0.7217680 -0.2782320), wk = 0.0031847 k( 123) = ( 0.2782320 0.7217680 -0.2782320), wk = 0.0031847 k( 124) = ( 0.2853858 0.7146142 -0.2853858), wk = 0.0031847 k( 125) = ( 0.2925396 0.7074604 -0.2925396), wk = 0.0031847 k( 126) = ( 0.2996934 0.7003066 -0.2996934), wk = 0.0031847 k( 127) = ( 0.3068472 0.6931528 -0.3068472), wk = 0.0031847 k( 128) = ( 0.3140010 0.6859990 -0.3140010), wk = 0.0031847 k( 129) = ( 0.3211548 0.6788452 -0.3211548), wk = 0.0031847 k( 130) = ( 0.3283086 0.6716914 -0.3283086), wk = 0.0031847 k( 131) = ( 0.3354624 0.6645376 -0.3354624), wk = 0.0031847 k( 132) = ( 0.3426162 0.6573838 -0.3426162), wk = 0.0031847 k( 133) = ( 0.3497700 0.6502300 -0.3497700), wk = 0.0031847 k( 134) = ( 0.3569238 0.6430762 -0.3569238), wk = 0.0031847 k( 135) = ( 0.3640776 0.6359224 -0.3640777), wk = 0.0031847 k( 136) = ( 0.3712315 0.6287685 -0.3712315), wk = 0.0031847 k( 137) = ( 0.3783853 0.6216147 -0.3783853), wk = 0.0031847 k( 138) = ( 0.3855391 0.6144609 -0.3855391), wk = 0.0031847 k( 139) = ( 0.3926929 0.6073071 -0.3926929), wk = 0.0031847 k( 140) = ( 0.3998467 0.6001533 -0.3998467), wk = 0.0031847 k( 141) = ( 0.4070005 0.5929995 -0.4070005), wk = 0.0031847 k( 142) = ( 0.4141543 0.5858457 -0.4141543), wk = 0.0031847 k( 143) = ( 0.4213081 0.5786919 -0.4213081), wk = 0.0031847 k( 144) = ( 0.4284619 0.5715381 -0.4284619), wk = 0.0031847 k( 145) = ( 0.4356157 0.5643843 -0.4356157), wk = 0.0031847 k( 146) = ( 0.4427695 0.5572305 -0.4427695), wk = 0.0031847 k( 147) = ( 0.4499233 0.5500766 -0.4499234), wk = 0.0031847 k( 148) = ( 0.4570771 0.5429229 -0.4570772), wk = 0.0031847 k( 149) = ( 0.4642310 0.5357690 -0.4642310), wk = 0.0031847 k( 150) = ( 0.4713848 0.5286152 -0.4713848), wk = 0.0031847 k( 151) = ( 0.4785386 0.5214614 -0.4785386), wk = 0.0031847 k( 152) = ( 0.4856924 0.5143076 -0.4856924), wk = 0.0031847 k( 153) = ( 0.4928462 0.5071538 -0.4928462), wk = 0.0031847 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031847 k( 155) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031847 k( 156) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0031847 k( 157) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0031847 k( 158) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0031847 k( 159) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0031847 k( 160) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0031847 k( 161) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0031847 k( 162) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0031847 k( 163) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0031847 k( 164) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0031847 k( 165) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0031847 k( 166) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0031847 k( 167) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0031847 k( 168) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0031847 k( 169) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0031847 k( 170) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0031847 k( 171) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0031847 k( 172) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0031847 k( 173) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0031847 k( 174) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0031847 k( 175) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0031847 k( 176) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0031847 k( 177) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0031847 k( 178) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0031847 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 181) = ( 0.0098277 -0.0098277 0.0098277), wk = 0.0031847 k( 182) = ( 0.0196553 -0.0196553 0.0196553), wk = 0.0031847 k( 183) = ( 0.0294830 -0.0294830 0.0294830), wk = 0.0031847 k( 184) = ( 0.0393107 -0.0393107 0.0393107), wk = 0.0031847 k( 185) = ( 0.0491383 -0.0491383 0.0491383), wk = 0.0031847 k( 186) = ( 0.0589660 -0.0589660 0.0589660), wk = 0.0031847 k( 187) = ( 0.0687937 -0.0687937 0.0687937), wk = 0.0031847 k( 188) = ( 0.0786213 -0.0786213 0.0786213), wk = 0.0031847 k( 189) = ( 0.0884490 -0.0884490 0.0884490), wk = 0.0031847 k( 190) = ( 0.0982767 -0.0982767 0.0982767), wk = 0.0031847 k( 191) = ( 0.1081043 -0.1081043 0.1081043), wk = 0.0031847 k( 192) = ( 0.1179320 -0.1179320 0.1179320), wk = 0.0031847 k( 193) = ( 0.1277597 -0.1277597 0.1277597), wk = 0.0031847 k( 194) = ( 0.1375873 -0.1375873 0.1375873), wk = 0.0031847 k( 195) = ( 0.1474150 -0.1474150 0.1474150), wk = 0.0031847 k( 196) = ( 0.1572427 -0.1572427 0.1572427), wk = 0.0031847 k( 197) = ( 0.1670703 -0.1670703 0.1670703), wk = 0.0031847 k( 198) = ( 0.1768980 -0.1768980 0.1768980), wk = 0.0031847 k( 199) = ( 0.1867257 -0.1867257 0.1867257), wk = 0.0031847 k( 200) = ( 0.1965533 -0.1965533 0.1965533), wk = 0.0031847 k( 201) = ( 0.2063810 -0.2063810 0.2063810), wk = 0.0031847 k( 202) = ( 0.2162087 -0.2162087 0.2162087), wk = 0.0031847 k( 203) = ( 0.2260363 -0.2260363 0.2260363), wk = 0.0031847 k( 204) = ( 0.2358640 -0.2358640 0.2358640), wk = 0.0031847 k( 205) = ( 0.2456917 -0.2456917 0.2456917), wk = 0.0031847 k( 206) = ( 0.2555193 -0.2555193 0.2555193), wk = 0.0031847 k( 207) = ( 0.2653470 -0.2653470 0.2653470), wk = 0.0031847 k( 208) = ( 0.2751747 -0.2751747 0.2751747), wk = 0.0031847 k( 209) = ( 0.2850023 -0.2850023 0.2850023), wk = 0.0031847 k( 210) = ( 0.2948300 -0.2948300 0.2948300), wk = 0.0031847 k( 211) = ( 0.3046577 -0.3046577 0.3046577), wk = 0.0031847 k( 212) = ( 0.3046577 -0.3046577 0.3046577), wk = 0.0031847 k( 213) = ( 0.3196840 -0.2812225 0.2812225), wk = 0.0031847 k( 214) = ( 0.3347103 -0.2577873 0.2577873), wk = 0.0031847 k( 215) = ( 0.3497367 -0.2343521 0.2343521), wk = 0.0031847 k( 216) = ( 0.3647630 -0.2109168 0.2109168), wk = 0.0031847 k( 217) = ( 0.3797893 -0.1874816 0.1874816), wk = 0.0031847 k( 218) = ( 0.3948157 -0.1640464 0.1640464), wk = 0.0031847 k( 219) = ( 0.4098420 -0.1406112 0.1406112), wk = 0.0031847 k( 220) = ( 0.4248683 -0.1171760 0.1171760), wk = 0.0031847 k( 221) = ( 0.4398947 -0.0937408 0.0937408), wk = 0.0031847 k( 222) = ( 0.4549210 -0.0703056 0.0703056), wk = 0.0031847 k( 223) = ( 0.4699473 -0.0468704 0.0468704), wk = 0.0031847 k( 224) = ( 0.4849737 -0.0234352 0.0234352), wk = 0.0031847 k( 225) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 226) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031847 k( 227) = ( 0.4928571 0.0071429 0.0071429), wk = 0.0031847 k( 228) = ( 0.4857143 0.0142857 0.0142857), wk = 0.0031847 k( 229) = ( 0.4785714 0.0214286 0.0214286), wk = 0.0031847 k( 230) = ( 0.4714286 0.0285714 0.0285714), wk = 0.0031847 k( 231) = ( 0.4642857 0.0357143 0.0357143), wk = 0.0031847 k( 232) = ( 0.4571429 0.0428571 0.0428571), wk = 0.0031847 k( 233) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0031847 k( 234) = ( 0.4428571 0.0571429 0.0571429), wk = 0.0031847 k( 235) = ( 0.4357143 0.0642857 0.0642857), wk = 0.0031847 k( 236) = ( 0.4285714 0.0714286 0.0714286), wk = 0.0031847 k( 237) = ( 0.4214286 0.0785714 0.0785714), wk = 0.0031847 k( 238) = ( 0.4142857 0.0857143 0.0857143), wk = 0.0031847 k( 239) = ( 0.4071429 0.0928571 0.0928571), wk = 0.0031847 k( 240) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0031847 k( 241) = ( 0.3928571 0.1071429 0.1071429), wk = 0.0031847 k( 242) = ( 0.3857143 0.1142857 0.1142857), wk = 0.0031847 k( 243) = ( 0.3785714 0.1214286 0.1214286), wk = 0.0031847 k( 244) = ( 0.3714286 0.1285714 0.1285714), wk = 0.0031847 k( 245) = ( 0.3642857 0.1357143 0.1357143), wk = 0.0031847 k( 246) = ( 0.3571429 0.1428571 0.1428571), wk = 0.0031847 k( 247) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0031847 k( 248) = ( 0.3428571 0.1571429 0.1571429), wk = 0.0031847 k( 249) = ( 0.3357143 0.1642857 0.1642857), wk = 0.0031847 k( 250) = ( 0.3285714 0.1714286 0.1714286), wk = 0.0031847 k( 251) = ( 0.3214286 0.1785714 0.1785714), wk = 0.0031847 k( 252) = ( 0.3142857 0.1857143 0.1857143), wk = 0.0031847 k( 253) = ( 0.3071429 0.1928571 0.1928571), wk = 0.0031847 k( 254) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0031847 k( 255) = ( 0.2928571 0.2071429 0.2071429), wk = 0.0031847 k( 256) = ( 0.2857143 0.2142857 0.2142857), wk = 0.0031847 k( 257) = ( 0.2785714 0.2214286 0.2214286), wk = 0.0031847 k( 258) = ( 0.2714286 0.2285714 0.2285714), wk = 0.0031847 k( 259) = ( 0.2642857 0.2357143 0.2357143), wk = 0.0031847 k( 260) = ( 0.2571429 0.2428571 0.2428571), wk = 0.0031847 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031847 k( 262) = ( 0.0828896 -0.0828896 0.5264257), wk = 0.0031847 k( 263) = ( 0.0900434 -0.0900434 0.5192719), wk = 0.0031847 k( 264) = ( 0.0971972 -0.0971972 0.5121181), wk = 0.0031847 k( 265) = ( 0.1043511 -0.1043511 0.5049643), wk = 0.0031847 k( 266) = ( 0.1115049 -0.1115049 0.4978105), wk = 0.0031847 k( 267) = ( 0.1186587 -0.1186587 0.4906567), wk = 0.0031847 k( 268) = ( 0.1258125 -0.1258125 0.4835029), wk = 0.0031847 k( 269) = ( 0.1329663 -0.1329663 0.4763491), wk = 0.0031847 k( 270) = ( 0.1401201 -0.1401201 0.4691952), wk = 0.0031847 k( 271) = ( 0.1472739 -0.1472739 0.4620414), wk = 0.0031847 k( 272) = ( 0.1544277 -0.1544277 0.4548876), wk = 0.0031847 k( 273) = ( 0.1615815 -0.1615815 0.4477338), wk = 0.0031847 k( 274) = ( 0.1687353 -0.1687353 0.4405800), wk = 0.0031847 k( 275) = ( 0.1758891 -0.1758891 0.4334262), wk = 0.0031847 k( 276) = ( 0.1830429 -0.1830429 0.4262724), wk = 0.0031847 k( 277) = ( 0.1901967 -0.1901967 0.4191186), wk = 0.0031847 k( 278) = ( 0.1973506 -0.1973506 0.4119648), wk = 0.0031847 k( 279) = ( 0.2045044 -0.2045044 0.4048110), wk = 0.0031847 k( 280) = ( 0.2116582 -0.2116582 0.3976572), wk = 0.0031847 k( 281) = ( 0.2188120 -0.2188120 0.3905034), wk = 0.0031847 k( 282) = ( 0.2259658 -0.2259658 0.3833496), wk = 0.0031847 k( 283) = ( 0.2331196 -0.2331196 0.3761957), wk = 0.0031847 k( 284) = ( 0.2402734 -0.2402734 0.3690419), wk = 0.0031847 k( 285) = ( 0.2474272 -0.2474272 0.3618881), wk = 0.0031847 k( 286) = ( 0.2545810 -0.2545810 0.3547343), wk = 0.0031847 k( 287) = ( 0.2617348 -0.2617348 0.3475805), wk = 0.0031847 k( 288) = ( 0.2688886 -0.2688886 0.3404267), wk = 0.0031847 k( 289) = ( 0.2760424 -0.2760424 0.3332729), wk = 0.0031847 k( 290) = ( 0.2831962 -0.2831962 0.3261191), wk = 0.0031847 k( 291) = ( 0.2903501 -0.2903501 0.3189653), wk = 0.0031847 k( 292) = ( 0.2975039 -0.2975039 0.3118115), wk = 0.0031847 k( 293) = ( 0.3046577 -0.3046577 0.3046577), wk = 0.0031847 k( 294) = ( 0.6953423 0.3046577 -0.3046577), wk = 0.0031847 k( 295) = ( 0.6855752 0.3144248 -0.3144248), wk = 0.0031847 k( 296) = ( 0.6758081 0.3241919 -0.3241919), wk = 0.0031847 k( 297) = ( 0.6660410 0.3339590 -0.3339590), wk = 0.0031847 k( 298) = ( 0.6562739 0.3437261 -0.3437261), wk = 0.0031847 k( 299) = ( 0.6465068 0.3534932 -0.3534933), wk = 0.0031847 k( 300) = ( 0.6367396 0.3632604 -0.3632604), wk = 0.0031847 k( 301) = ( 0.6269725 0.3730275 -0.3730275), wk = 0.0031847 k( 302) = ( 0.6172054 0.3827946 -0.3827946), wk = 0.0031847 k( 303) = ( 0.6074383 0.3925617 -0.3925617), wk = 0.0031847 k( 304) = ( 0.5976712 0.4023288 -0.4023288), wk = 0.0031847 k( 305) = ( 0.5879041 0.4120959 -0.4120960), wk = 0.0031847 k( 306) = ( 0.5781369 0.4218631 -0.4218631), wk = 0.0031847 k( 307) = ( 0.5683698 0.4316302 -0.4316302), wk = 0.0031847 k( 308) = ( 0.5586027 0.4413973 -0.4413973), wk = 0.0031847 k( 309) = ( 0.5488356 0.4511644 -0.4511644), wk = 0.0031847 k( 310) = ( 0.5390685 0.4609315 -0.4609315), wk = 0.0031847 k( 311) = ( 0.5293014 0.4706987 -0.4706987), wk = 0.0031847 k( 312) = ( 0.5195342 0.4804658 -0.4804658), wk = 0.0031847 k( 313) = ( 0.5097671 0.4902329 -0.4902329), wk = 0.0031847 k( 314) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031847 Dense grid: 100107 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 62489 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 450, 58) NL pseudopotentials 0.56 Mb ( 225, 164) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2781) G-vector shells 0.02 Mb ( 2570) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.59 Mb ( 450, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.3 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 11.7 secs Computing kpt #: 3 total cpu time spent up to now is 14.1 secs Computing kpt #: 4 total cpu time spent up to now is 17.1 secs Computing kpt #: 5 total cpu time spent up to now is 19.5 secs Computing kpt #: 6 total cpu time spent up to now is 21.9 secs Computing kpt #: 7 total cpu time spent up to now is 24.3 secs Computing kpt #: 8 total cpu time spent up to now is 26.6 secs Computing kpt #: 9 total cpu time spent up to now is 29.0 secs Computing kpt #: 10 total cpu time spent up to now is 31.4 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.8 secs Computing kpt #: 12 total cpu time spent up to now is 37.6 secs Computing kpt #: 13 total cpu time spent up to now is 40.1 secs Computing kpt #: 14 total cpu time spent up to now is 42.5 secs Computing kpt #: 15 total cpu time spent up to now is 44.9 secs Computing kpt #: 16 total cpu time spent up to now is 47.2 secs Computing kpt #: 17 total cpu time spent up to now is 49.7 secs Computing kpt #: 18 total cpu time spent up to now is 52.6 secs Computing kpt #: 19 total cpu time spent up to now is 55.1 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.4 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.6 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.9 secs Computing kpt #: 23 total cpu time spent up to now is 68.0 secs Computing kpt #: 24 total cpu time spent up to now is 70.4 secs Computing kpt #: 25 total cpu time spent up to now is 72.7 secs Computing kpt #: 26 total cpu time spent up to now is 75.0 secs Computing kpt #: 27 total cpu time spent up to now is 77.3 secs Computing kpt #: 28 total cpu time spent up to now is 79.8 secs Computing kpt #: 29 total cpu time spent up to now is 82.3 secs Computing kpt #: 30 total cpu time spent up to now is 85.3 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.5 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.7 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.9 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.2 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.4 secs Computing kpt #: 36 total cpu time spent up to now is 103.7 secs Computing kpt #: 37 total cpu time spent up to now is 106.0 secs Computing kpt #: 38 total cpu time spent up to now is 108.2 secs Computing kpt #: 39 total cpu time spent up to now is 110.1 secs Computing kpt #: 40 total cpu time spent up to now is 112.2 secs Computing kpt #: 41 total cpu time spent up to now is 114.1 secs Computing kpt #: 42 total cpu time spent up to now is 116.0 secs Computing kpt #: 43 total cpu time spent up to now is 117.9 secs Computing kpt #: 44 total cpu time spent up to now is 119.8 secs Computing kpt #: 45 total cpu time spent up to now is 121.8 secs Computing kpt #: 46 total cpu time spent up to now is 123.8 secs Computing kpt #: 47 total cpu time spent up to now is 125.9 secs Computing kpt #: 48 total cpu time spent up to now is 128.0 secs Computing kpt #: 49 total cpu time spent up to now is 130.4 secs Computing kpt #: 50 total cpu time spent up to now is 132.7 secs Computing kpt #: 51 total cpu time spent up to now is 135.2 secs Computing kpt #: 52 total cpu time spent up to now is 137.6 secs Computing kpt #: 53 total cpu time spent up to now is 140.5 secs Computing kpt #: 54 total cpu time spent up to now is 143.3 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.4 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.6 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.9 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.2 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.4 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.6 secs Computing kpt #: 61 total cpu time spent up to now is 165.7 secs Computing kpt #: 62 total cpu time spent up to now is 168.6 secs Computing kpt #: 63 total cpu time spent up to now is 171.1 secs Computing kpt #: 64 total cpu time spent up to now is 173.9 secs Computing kpt #: 65 total cpu time spent up to now is 175.8 secs Computing kpt #: 66 total cpu time spent up to now is 177.7 secs Computing kpt #: 67 total cpu time spent up to now is 179.5 secs Computing kpt #: 68 total cpu time spent up to now is 181.2 secs Computing kpt #: 69 total cpu time spent up to now is 183.0 secs Computing kpt #: 70 total cpu time spent up to now is 184.7 secs Computing kpt #: 71 total cpu time spent up to now is 186.5 secs Computing kpt #: 72 total cpu time spent up to now is 188.2 secs Computing kpt #: 73 total cpu time spent up to now is 189.9 secs Computing kpt #: 74 total cpu time spent up to now is 191.6 secs Computing kpt #: 75 total cpu time spent up to now is 193.7 secs Computing kpt #: 76 total cpu time spent up to now is 195.9 secs Computing kpt #: 77 total cpu time spent up to now is 197.8 secs Computing kpt #: 78 total cpu time spent up to now is 201.3 secs Computing kpt #: 79 total cpu time spent up to now is 203.6 secs Computing kpt #: 80 total cpu time spent up to now is 205.7 secs Computing kpt #: 81 total cpu time spent up to now is 208.0 secs Computing kpt #: 82 total cpu time spent up to now is 210.1 secs Computing kpt #: 83 total cpu time spent up to now is 212.3 secs Computing kpt #: 84 total cpu time spent up to now is 214.4 secs Computing kpt #: 85 total cpu time spent up to now is 216.5 secs Computing kpt #: 86 total cpu time spent up to now is 218.8 secs Computing kpt #: 87 total cpu time spent up to now is 221.2 secs Computing kpt #: 88 total cpu time spent up to now is 223.6 secs Computing kpt #: 89 total cpu time spent up to now is 226.3 secs Computing kpt #: 90 total cpu time spent up to now is 229.3 secs Computing kpt #: 91 total cpu time spent up to now is 232.3 secs Computing kpt #: 92 total cpu time spent up to now is 235.4 secs Computing kpt #: 93 total cpu time spent up to now is 238.0 secs Computing kpt #: 94 total cpu time spent up to now is 240.7 secs Computing kpt #: 95 total cpu time spent up to now is 243.1 secs Computing kpt #: 96 total cpu time spent up to now is 245.5 secs Computing kpt #: 97 total cpu time spent up to now is 247.9 secs Computing kpt #: 98 total cpu time spent up to now is 249.9 secs Computing kpt #: 99 total cpu time spent up to now is 251.9 secs Computing kpt #: 100 total cpu time spent up to now is 253.8 secs Computing kpt #: 101 total cpu time spent up to now is 255.8 secs Computing kpt #: 102 total cpu time spent up to now is 257.7 secs Computing kpt #: 103 total cpu time spent up to now is 259.7 secs Computing kpt #: 104 total cpu time spent up to now is 261.5 secs Computing kpt #: 105 total cpu time spent up to now is 263.2 secs Computing kpt #: 106 total cpu time spent up to now is 265.0 secs Computing kpt #: 107 total cpu time spent up to now is 266.8 secs Computing kpt #: 108 total cpu time spent up to now is 268.5 secs Computing kpt #: 109 total cpu time spent up to now is 270.3 secs Computing kpt #: 110 total cpu time spent up to now is 272.1 secs Computing kpt #: 111 total cpu time spent up to now is 273.9 secs Computing kpt #: 112 total cpu time spent up to now is 275.6 secs Computing kpt #: 113 total cpu time spent up to now is 277.6 secs Computing kpt #: 114 total cpu time spent up to now is 279.7 secs Computing kpt #: 115 total cpu time spent up to now is 282.0 secs Computing kpt #: 116 total cpu time spent up to now is 284.4 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.8 secs Computing kpt #: 119 total cpu time spent up to now is 292.9 secs Computing kpt #: 120 total cpu time spent up to now is 294.9 secs Computing kpt #: 121 total cpu time spent up to now is 296.8 secs Computing kpt #: 122 total cpu time spent up to now is 298.7 secs Computing kpt #: 123 total cpu time spent up to now is 300.6 secs Computing kpt #: 124 total cpu time spent up to now is 302.6 secs Computing kpt #: 125 total cpu time spent up to now is 304.5 secs Computing kpt #: 126 total cpu time spent up to now is 306.2 secs Computing kpt #: 127 total cpu time spent up to now is 307.9 secs Computing kpt #: 128 total cpu time spent up to now is 309.6 secs Computing kpt #: 129 total cpu time spent up to now is 311.2 secs Computing kpt #: 130 total cpu time spent up to now is 312.9 secs Computing kpt #: 131 total cpu time spent up to now is 314.6 secs Computing kpt #: 132 total cpu time spent up to now is 316.2 secs Computing kpt #: 133 total cpu time spent up to now is 317.9 secs Computing kpt #: 134 total cpu time spent up to now is 319.4 secs Computing kpt #: 135 total cpu time spent up to now is 321.1 secs Computing kpt #: 136 total cpu time spent up to now is 322.6 secs Computing kpt #: 137 total cpu time spent up to now is 324.2 secs Computing kpt #: 138 total cpu time spent up to now is 325.8 secs Computing kpt #: 139 total cpu time spent up to now is 327.5 secs Computing kpt #: 140 total cpu time spent up to now is 329.1 secs Computing kpt #: 141 total cpu time spent up to now is 330.7 secs Computing kpt #: 142 total cpu time spent up to now is 332.4 secs Computing kpt #: 143 total cpu time spent up to now is 334.0 secs Computing kpt #: 144 total cpu time spent up to now is 335.7 secs Computing kpt #: 145 total cpu time spent up to now is 337.4 secs Computing kpt #: 146 total cpu time spent up to now is 339.0 secs Computing kpt #: 147 total cpu time spent up to now is 340.7 secs Computing kpt #: 148 total cpu time spent up to now is 342.5 secs Computing kpt #: 149 total cpu time spent up to now is 344.2 secs Computing kpt #: 150 total cpu time spent up to now is 346.0 secs Computing kpt #: 151 total cpu time spent up to now is 347.9 secs Computing kpt #: 152 total cpu time spent up to now is 350.0 secs Computing kpt #: 153 total cpu time spent up to now is 352.3 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.4 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.6 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.8 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.9 secs Computing kpt #: 158 total cpu time spent up to now is 368.0 secs Computing kpt #: 159 total cpu time spent up to now is 371.0 secs Computing kpt #: 160 total cpu time spent up to now is 373.1 secs Computing kpt #: 161 total cpu time spent up to now is 375.4 secs Computing kpt #: 162 total cpu time spent up to now is 377.7 secs Computing kpt #: 163 total cpu time spent up to now is 380.2 secs Computing kpt #: 164 total cpu time spent up to now is 382.5 secs Computing kpt #: 165 total cpu time spent up to now is 385.1 secs Computing kpt #: 166 total cpu time spent up to now is 387.6 secs Computing kpt #: 167 total cpu time spent up to now is 390.0 secs Computing kpt #: 168 total cpu time spent up to now is 392.4 secs Computing kpt #: 169 total cpu time spent up to now is 394.8 secs Computing kpt #: 170 total cpu time spent up to now is 397.2 secs Computing kpt #: 171 total cpu time spent up to now is 399.4 secs Computing kpt #: 172 total cpu time spent up to now is 401.7 secs Computing kpt #: 173 total cpu time spent up to now is 403.8 secs Computing kpt #: 174 total cpu time spent up to now is 405.9 secs Computing kpt #: 175 total cpu time spent up to now is 408.0 secs Computing kpt #: 176 total cpu time spent up to now is 410.1 secs Computing kpt #: 177 total cpu time spent up to now is 412.3 secs Computing kpt #: 178 total cpu time spent up to now is 414.7 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.0 secs Computing kpt #: 180 total cpu time spent up to now is 420.9 secs Computing kpt #: 181 total cpu time spent up to now is 424.1 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 427.4 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.6 secs Computing kpt #: 184 total cpu time spent up to now is 433.9 secs Computing kpt #: 185 total cpu time spent up to now is 436.8 secs Computing kpt #: 186 total cpu time spent up to now is 439.4 secs Computing kpt #: 187 total cpu time spent up to now is 442.3 secs Computing kpt #: 188 total cpu time spent up to now is 444.8 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 448.1 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.4 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.7 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 457.9 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.1 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.4 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.7 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.9 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.6 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.9 secs Computing kpt #: 199 total cpu time spent up to now is 481.1 secs Computing kpt #: 200 total cpu time spent up to now is 483.8 secs Computing kpt #: 201 total cpu time spent up to now is 486.4 secs Computing kpt #: 202 total cpu time spent up to now is 488.7 secs Computing kpt #: 203 total cpu time spent up to now is 491.1 secs Computing kpt #: 204 total cpu time spent up to now is 493.2 secs Computing kpt #: 205 total cpu time spent up to now is 495.2 secs Computing kpt #: 206 total cpu time spent up to now is 497.5 secs Computing kpt #: 207 total cpu time spent up to now is 499.6 secs Computing kpt #: 208 total cpu time spent up to now is 501.5 secs Computing kpt #: 209 total cpu time spent up to now is 503.9 secs Computing kpt #: 210 total cpu time spent up to now is 506.3 secs Computing kpt #: 211 total cpu time spent up to now is 508.7 secs Computing kpt #: 212 total cpu time spent up to now is 511.1 secs Computing kpt #: 213 total cpu time spent up to now is 513.4 secs Computing kpt #: 214 total cpu time spent up to now is 516.0 secs Computing kpt #: 215 total cpu time spent up to now is 518.3 secs Computing kpt #: 216 total cpu time spent up to now is 520.7 secs Computing kpt #: 217 total cpu time spent up to now is 523.0 secs Computing kpt #: 218 total cpu time spent up to now is 525.2 secs Computing kpt #: 219 total cpu time spent up to now is 527.4 secs Computing kpt #: 220 total cpu time spent up to now is 529.7 secs Computing kpt #: 221 total cpu time spent up to now is 532.0 secs Computing kpt #: 222 total cpu time spent up to now is 534.3 secs Computing kpt #: 223 total cpu time spent up to now is 536.5 secs Computing kpt #: 224 total cpu time spent up to now is 538.9 secs Computing kpt #: 225 total cpu time spent up to now is 540.9 secs Computing kpt #: 226 total cpu time spent up to now is 543.0 secs Computing kpt #: 227 total cpu time spent up to now is 545.2 secs Computing kpt #: 228 total cpu time spent up to now is 547.5 secs Computing kpt #: 229 total cpu time spent up to now is 549.6 secs Computing kpt #: 230 total cpu time spent up to now is 552.0 secs Computing kpt #: 231 total cpu time spent up to now is 554.2 secs Computing kpt #: 232 total cpu time spent up to now is 556.2 secs Computing kpt #: 233 total cpu time spent up to now is 558.4 secs Computing kpt #: 234 total cpu time spent up to now is 560.5 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.7 secs Computing kpt #: 236 total cpu time spent up to now is 566.7 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.9 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.1 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.4 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.7 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.9 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.2 secs Computing kpt #: 243 total cpu time spent up to now is 589.3 secs Computing kpt #: 244 total cpu time spent up to now is 592.3 secs Computing kpt #: 245 total cpu time spent up to now is 594.9 secs Computing kpt #: 246 total cpu time spent up to now is 597.0 secs Computing kpt #: 247 total cpu time spent up to now is 599.1 secs Computing kpt #: 248 total cpu time spent up to now is 601.3 secs Computing kpt #: 249 total cpu time spent up to now is 603.4 secs Computing kpt #: 250 total cpu time spent up to now is 605.5 secs Computing kpt #: 251 total cpu time spent up to now is 607.6 secs Computing kpt #: 252 total cpu time spent up to now is 609.6 secs Computing kpt #: 253 total cpu time spent up to now is 611.9 secs Computing kpt #: 254 total cpu time spent up to now is 613.8 secs Computing kpt #: 255 total cpu time spent up to now is 616.1 secs Computing kpt #: 256 total cpu time spent up to now is 618.4 secs Computing kpt #: 257 total cpu time spent up to now is 620.7 secs Computing kpt #: 258 total cpu time spent up to now is 623.0 secs Computing kpt #: 259 total cpu time spent up to now is 625.1 secs Computing kpt #: 260 total cpu time spent up to now is 627.2 secs Computing kpt #: 261 total cpu time spent up to now is 629.3 secs Computing kpt #: 262 total cpu time spent up to now is 632.3 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 635.5 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 638.7 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 641.9 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 645.1 secs Computing kpt #: 267 total cpu time spent up to now is 648.1 secs Computing kpt #: 268 total cpu time spent up to now is 650.2 secs Computing kpt #: 269 total cpu time spent up to now is 652.2 secs Computing kpt #: 270 total cpu time spent up to now is 654.1 secs Computing kpt #: 271 total cpu time spent up to now is 655.8 secs Computing kpt #: 272 total cpu time spent up to now is 657.6 secs Computing kpt #: 273 total cpu time spent up to now is 659.4 secs Computing kpt #: 274 total cpu time spent up to now is 661.2 secs Computing kpt #: 275 total cpu time spent up to now is 663.0 secs Computing kpt #: 276 total cpu time spent up to now is 664.8 secs Computing kpt #: 277 total cpu time spent up to now is 666.8 secs Computing kpt #: 278 total cpu time spent up to now is 668.6 secs Computing kpt #: 279 total cpu time spent up to now is 670.6 secs Computing kpt #: 280 total cpu time spent up to now is 672.8 secs Computing kpt #: 281 total cpu time spent up to now is 675.1 secs Computing kpt #: 282 total cpu time spent up to now is 677.7 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 680.8 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 684.0 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 687.2 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.5 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 693.7 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.9 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 700.0 secs Computing kpt #: 290 total cpu time spent up to now is 702.6 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 705.7 secs Computing kpt #: 292 total cpu time spent up to now is 708.1 secs Computing kpt #: 293 total cpu time spent up to now is 711.1 secs Computing kpt #: 294 total cpu time spent up to now is 713.8 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 717.0 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 720.1 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 723.3 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 726.4 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.4 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 733.6 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 736.7 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 739.8 secs Computing kpt #: 303 total cpu time spent up to now is 741.9 secs Computing kpt #: 304 total cpu time spent up to now is 744.1 secs Computing kpt #: 305 total cpu time spent up to now is 746.1 secs Computing kpt #: 306 total cpu time spent up to now is 748.3 secs Computing kpt #: 307 total cpu time spent up to now is 751.2 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 754.4 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 757.5 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.7 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 764.0 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 767.2 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.4 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 774.2 secs ethr = 2.08E-08, avg # of iterations = 74.3 total cpu time spent up to now is 774.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7849 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3649 -17.3649 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9296 -16.9296 -16.9192 -16.9192 -11.1307 -11.1307 -11.0017 -11.0017 -0.3141 -0.3141 0.0655 0.0655 0.3814 0.3814 0.5973 0.5973 0.7866 0.7866 0.9999 0.9999 1.1642 1.1642 5.0859 5.0859 5.3910 5.3910 6.0912 6.0912 6.3771 6.3771 7.5055 7.5055 7.6276 7.6276 7.7000 7.7000 7.8299 7.8300 k =-0.0071 0.0124 0.0199 ( 7853 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9296 -16.9296 -16.9193 -16.9193 -11.1306 -11.1306 -11.0017 -11.0017 -0.3138 -0.3138 0.0658 0.0658 0.3819 0.3819 0.5969 0.5969 0.7856 0.7856 0.9999 0.9999 1.1629 1.1629 5.0864 5.0864 5.3906 5.3906 6.0840 6.0840 6.3822 6.3822 7.5086 7.5086 7.6273 7.6273 7.7009 7.7009 7.8333 7.8334 k =-0.0143 0.0248 0.0398 ( 7843 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9297 -16.9297 -16.9193 -16.9193 -11.1301 -11.1301 -11.0018 -11.0018 -0.3130 -0.3130 0.0668 0.0668 0.3833 0.3833 0.5959 0.5959 0.7826 0.7826 0.9999 0.9999 1.1590 1.1590 5.0881 5.0881 5.3893 5.3893 6.0636 6.0636 6.3967 6.3967 7.5177 7.5177 7.6264 7.6264 7.7034 7.7034 7.8384 7.8384 k =-0.0214 0.0372 0.0597 ( 7841 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6111 -17.6111 -17.3764 -17.3764 -17.3650 -17.3650 -17.2883 -17.2883 -17.0801 -17.0801 -17.0245 -17.0245 -17.0077 -17.0077 -16.9297 -16.9297 -16.9194 -16.9194 -11.1292 -11.1292 -11.0018 -11.0018 -0.3116 -0.3116 0.0684 0.0684 0.3856 0.3856 0.5942 0.5942 0.7776 0.7776 0.9998 0.9998 1.1526 1.1526 5.0908 5.0908 5.3874 5.3874 6.0319 6.0319 6.4191 6.4191 7.5323 7.5323 7.6249 7.6249 7.7076 7.7076 7.8383 7.8383 k =-0.0285 0.0496 0.0796 ( 7841 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6111 -17.6111 -17.3764 -17.3764 -17.3651 -17.3651 -17.2884 -17.2884 -17.0801 -17.0801 -17.0245 -17.0245 -17.0077 -17.0077 -16.9299 -16.9299 -16.9196 -16.9196 -11.1281 -11.1281 -11.0019 -11.0019 -0.3097 -0.3097 0.0707 0.0707 0.3888 0.3888 0.5918 0.5918 0.7708 0.7708 0.9996 0.9996 1.1438 1.1438 5.0946 5.0946 5.3846 5.3846 5.9912 5.9912 6.4477 6.4477 7.5518 7.5518 7.6227 7.6227 7.7136 7.7136 7.8403 7.8403 k =-0.0357 0.0619 0.0995 ( 7841 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1111 -36.1111 -17.6112 -17.6112 -17.3764 -17.3764 -17.3652 -17.3652 -17.2885 -17.2885 -17.0801 -17.0801 -17.0244 -17.0244 -17.0078 -17.0078 -16.9300 -16.9300 -16.9198 -16.9198 -11.1267 -11.1267 -11.0020 -11.0020 -0.3073 -0.3073 0.0736 0.0736 0.3929 0.3929 0.5887 0.5887 0.7624 0.7624 0.9994 0.9994 1.1330 1.1330 5.0995 5.0995 5.3812 5.3812 5.9432 5.9432 6.4816 6.4816 7.5754 7.5754 7.6200 7.6200 7.7211 7.7211 7.8454 7.8454 k =-0.0428 0.0743 0.1194 ( 7847 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1111 -36.1111 -17.6113 -17.6113 -17.3764 -17.3764 -17.3652 -17.3652 -17.2887 -17.2887 -17.0800 -17.0800 -17.0244 -17.0244 -17.0079 -17.0079 -16.9303 -16.9303 -16.9201 -16.9201 -11.1249 -11.1249 -11.0021 -11.0021 -0.3045 -0.3045 0.0769 0.0769 0.3977 0.3977 0.5848 0.5848 0.7525 0.7525 0.9989 0.9989 1.1202 1.1202 5.1056 5.1056 5.3771 5.3771 5.8893 5.8893 6.5203 6.5203 7.6024 7.6024 7.6168 7.6168 7.7302 7.7302 7.8544 7.8544 k =-0.0499 0.0867 0.1393 ( 7847 PWs) bands (ev): -36.3441 -36.3441 -36.1127 -36.1127 -36.1111 -36.1111 -17.6114 -17.6114 -17.3764 -17.3764 -17.3654 -17.3654 -17.2889 -17.2889 -17.0800 -17.0800 -17.0243 -17.0243 -17.0080 -17.0080 -16.9305 -16.9305 -16.9204 -16.9204 -11.1229 -11.1229 -11.0022 -11.0022 -0.3012 -0.3012 0.0808 0.0808 0.4032 0.4032 0.5800 0.5800 0.7415 0.7415 0.9982 0.9982 1.1060 1.1060 5.1128 5.1128 5.3724 5.3724 5.8306 5.8306 6.5633 6.5633 7.6125 7.6125 7.6329 7.6329 7.7410 7.7410 7.8675 7.8675 k =-0.0571 0.0991 0.1591 ( 7857 PWs) bands (ev): -36.3441 -36.3441 -36.1127 -36.1127 -36.1111 -36.1111 -17.6115 -17.6115 -17.3764 -17.3764 -17.3655 -17.3655 -17.2891 -17.2891 -17.0800 -17.0800 -17.0242 -17.0242 -17.0082 -17.0082 -16.9308 -16.9308 -16.9207 -16.9207 -11.1206 -11.1206 -11.0024 -11.0024 -0.2977 -0.2977 0.0850 0.0850 0.4093 0.4093 0.5745 0.5745 0.7296 0.7296 0.9972 0.9972 1.0907 1.0907 5.1212 5.1212 5.3671 5.3671 5.7680 5.7680 6.6104 6.6104 7.6080 7.6080 7.6656 7.6656 7.7532 7.7532 7.8850 7.8850 k =-0.0642 0.1115 0.1790 ( 7857 PWs) bands (ev): -36.3441 -36.3441 -36.1127 -36.1127 -36.1111 -36.1111 -17.6117 -17.6117 -17.3764 -17.3764 -17.3656 -17.3656 -17.2894 -17.2894 -17.0799 -17.0799 -17.0241 -17.0241 -17.0083 -17.0083 -16.9311 -16.9311 -16.9211 -16.9211 -11.1180 -11.1180 -11.0026 -11.0026 -0.2939 -0.2939 0.0895 0.0895 0.4158 0.4158 0.5681 0.5681 0.7171 0.7171 0.9956 0.9956 1.0747 1.0747 5.1307 5.1307 5.3614 5.3614 5.7024 5.7024 6.6611 6.6611 7.6028 7.6028 7.7008 7.7008 7.7665 7.7665 7.9066 7.9066 k =-0.0713 0.1239 0.1989 ( 7849 PWs) bands (ev): -36.3441 -36.3441 -36.1126 -36.1126 -36.1111 -36.1111 -17.6118 -17.6118 -17.3764 -17.3764 -17.3658 -17.3658 -17.2896 -17.2896 -17.0799 -17.0799 -17.0240 -17.0240 -17.0085 -17.0085 -16.9314 -16.9314 -16.9215 -16.9215 -11.1152 -11.1152 -11.0029 -11.0029 -0.2899 -0.2899 0.0943 0.0943 0.4224 0.4224 0.5611 0.5611 0.7044 0.7044 0.9932 0.9932 1.0586 1.0586 5.1415 5.1415 5.3554 5.3554 5.6345 5.6345 6.7152 6.7152 7.5969 7.5969 7.7383 7.7383 7.7806 7.7806 7.9306 7.9308 k =-0.0785 0.1363 0.2188 ( 7865 PWs) bands (ev): -36.3441 -36.3441 -36.1126 -36.1126 -36.1111 -36.1111 -17.6120 -17.6120 -17.3764 -17.3764 -17.3660 -17.3660 -17.2899 -17.2899 -17.0798 -17.0798 -17.0239 -17.0239 -17.0087 -17.0087 -16.9317 -16.9317 -16.9220 -16.9220 -11.1121 -11.1121 -11.0031 -11.0031 -0.2859 -0.2859 0.0991 0.0991 0.4289 0.4289 0.5537 0.5537 0.6917 0.6917 0.9895 0.9895 1.0432 1.0432 5.1534 5.1534 5.3492 5.3492 5.5651 5.5651 6.7722 6.7722 7.5899 7.5899 7.7763 7.7763 7.7934 7.7934 7.8892 7.8892 k =-0.0856 0.1487 0.2387 ( 7835 PWs) bands (ev): -36.3440 -36.3440 -36.1126 -36.1126 -36.1111 -36.1111 -17.6122 -17.6122 -17.3763 -17.3763 -17.3661 -17.3661 -17.2901 -17.2901 -17.0798 -17.0798 -17.0238 -17.0238 -17.0089 -17.0089 -16.9320 -16.9320 -16.9224 -16.9224 -11.1088 -11.1088 -11.0034 -11.0034 -0.2818 -0.2818 0.1040 0.1040 0.4345 0.4345 0.5464 0.5464 0.6795 0.6795 0.9839 0.9839 1.0296 1.0296 5.1666 5.1666 5.3428 5.3428 5.4947 5.4947 6.8316 6.8316 7.5821 7.5821 7.7763 7.7763 7.8225 7.8225 7.8499 7.8499 k =-0.0927 0.1611 0.2586 ( 7839 PWs) bands (ev): -36.3440 -36.3440 -36.1125 -36.1125 -36.1110 -36.1110 -17.6124 -17.6124 -17.3763 -17.3763 -17.3663 -17.3663 -17.2905 -17.2905 -17.0797 -17.0797 -17.0236 -17.0236 -17.0091 -17.0091 -16.9324 -16.9324 -16.9229 -16.9229 -11.1053 -11.1053 -11.0038 -11.0038 -0.2780 -0.2780 0.1088 0.1088 0.4385 0.4385 0.5399 0.5399 0.6679 0.6679 0.9753 0.9753 1.0188 1.0188 5.1811 5.1811 5.3365 5.3365 5.4239 5.4239 6.8931 6.8931 7.5729 7.5729 7.7209 7.7209 7.8526 7.8526 7.8685 7.8685 k =-0.0999 0.1735 0.2785 ( 7835 PWs) bands (ev): -36.3440 -36.3440 -36.1125 -36.1125 -36.1110 -36.1110 -17.6126 -17.6126 -17.3763 -17.3763 -17.3665 -17.3665 -17.2908 -17.2908 -17.0797 -17.0797 -17.0235 -17.0235 -17.0093 -17.0093 -16.9328 -16.9328 -16.9234 -16.9234 -11.1017 -11.1017 -11.0042 -11.0042 -0.2744 -0.2744 0.1133 0.1133 0.4399 0.4399 0.5356 0.5356 0.6572 0.6572 0.9639 0.9639 1.0110 1.0110 5.1968 5.1968 5.3302 5.3302 5.3533 5.3533 6.9563 6.9563 7.5622 7.5622 7.6534 7.6534 7.8716 7.8716 7.9142 7.9142 k =-0.1070 0.1858 0.2984 ( 7821 PWs) bands (ev): -36.3440 -36.3440 -36.1125 -36.1125 -36.1110 -36.1110 -17.6128 -17.6128 -17.3763 -17.3763 -17.3667 -17.3667 -17.2911 -17.2911 -17.0796 -17.0796 -17.0234 -17.0234 -17.0096 -17.0096 -16.9331 -16.9331 -16.9239 -16.9239 -11.0979 -11.0979 -11.0047 -11.0047 -0.2711 -0.2711 0.1174 0.1174 0.4377 0.4377 0.5343 0.5343 0.6476 0.6476 0.9507 0.9507 1.0054 1.0054 5.2137 5.2137 5.2832 5.2832 5.3244 5.3244 7.0206 7.0206 7.5497 7.5497 7.5841 7.5841 7.8938 7.8938 7.9628 7.9628 k =-0.1141 0.1982 0.3183 ( 7809 PWs) bands (ev): -36.3439 -36.3439 -36.1124 -36.1124 -36.1110 -36.1110 -17.6130 -17.6130 -17.3762 -17.3762 -17.3670 -17.3670 -17.2914 -17.2914 -17.0795 -17.0795 -17.0232 -17.0232 -17.0098 -17.0098 -16.9335 -16.9335 -16.9244 -16.9244 -11.0940 -11.0940 -11.0052 -11.0052 -0.2684 -0.2684 0.1211 0.1211 0.4317 0.4317 0.5366 0.5366 0.6392 0.6392 0.9368 0.9368 1.0009 1.0009 5.2138 5.2138 5.2323 5.2323 5.3190 5.3190 7.0856 7.0856 7.5150 7.5150 7.5351 7.5351 7.9182 7.9182 8.0132 8.0132 k =-0.1213 0.2106 0.3382 ( 7807 PWs) bands (ev): -36.3439 -36.3439 -36.1124 -36.1124 -36.1110 -36.1110 -17.6132 -17.6132 -17.3762 -17.3762 -17.3672 -17.3672 -17.2917 -17.2917 -17.0795 -17.0795 -17.0230 -17.0230 -17.0101 -17.0101 -16.9339 -16.9339 -16.9250 -16.9250 -11.0900 -11.0900 -11.0057 -11.0057 -0.2663 -0.2663 0.1242 0.1242 0.4226 0.4226 0.5418 0.5418 0.6321 0.6321 0.9229 0.9229 0.9970 0.9970 5.1468 5.1468 5.2511 5.2511 5.3142 5.3142 7.1509 7.1509 7.4467 7.4467 7.5181 7.5181 7.9442 7.9442 8.0653 8.0653 k =-0.1284 0.2230 0.3581 ( 7799 PWs) bands (ev): -36.3439 -36.3439 -36.1124 -36.1124 -36.1110 -36.1110 -17.6134 -17.6134 -17.3762 -17.3762 -17.3674 -17.3674 -17.2920 -17.2920 -17.0794 -17.0794 -17.0229 -17.0229 -17.0103 -17.0103 -16.9342 -16.9342 -16.9255 -16.9255 -11.0859 -11.0859 -11.0064 -11.0064 -0.2649 -0.2649 0.1266 0.1266 0.4118 0.4118 0.5490 0.5490 0.6265 0.6265 0.9095 0.9095 0.9932 0.9932 5.0815 5.0815 5.2710 5.2710 5.3105 5.3105 7.2162 7.2162 7.3796 7.3796 7.4983 7.4983 7.9717 7.9717 8.1187 8.1187 k =-0.1355 0.2354 0.3780 ( 7811 PWs) bands (ev): -36.3439 -36.3439 -36.1123 -36.1123 -36.1110 -36.1110 -17.6136 -17.6136 -17.3761 -17.3761 -17.3677 -17.3677 -17.2924 -17.2924 -17.0793 -17.0793 -17.0227 -17.0227 -17.0106 -17.0106 -16.9346 -16.9346 -16.9261 -16.9261 -11.0817 -11.0817 -11.0071 -11.0071 -0.2643 -0.2643 0.1282 0.1282 0.4001 0.4001 0.5573 0.5573 0.6225 0.6225 0.8967 0.8967 0.9895 0.9895 5.0185 5.0185 5.2900 5.2900 5.3096 5.3096 7.2804 7.2804 7.3145 7.3145 7.4756 7.4756 8.0005 8.0005 8.1730 8.1730 k =-0.1427 0.2478 0.3979 ( 7811 PWs) bands (ev): -36.3438 -36.3438 -36.1123 -36.1123 -36.1110 -36.1110 -17.6138 -17.6138 -17.3761 -17.3761 -17.3680 -17.3680 -17.2927 -17.2927 -17.0793 -17.0793 -17.0225 -17.0225 -17.0109 -17.0109 -16.9350 -16.9350 -16.9266 -16.9266 -11.0775 -11.0775 -11.0078 -11.0078 -0.2645 -0.2645 0.1289 0.1289 0.3885 0.3885 0.5658 0.5658 0.6204 0.6204 0.8846 0.8846 0.9856 0.9856 4.9582 4.9582 5.2990 5.2990 5.3207 5.3207 7.2494 7.2494 7.3453 7.3453 7.4500 7.4500 8.0307 8.0307 8.2276 8.2278 k =-0.1498 0.2602 0.4178 ( 7803 PWs) bands (ev): -36.3438 -36.3438 -36.1122 -36.1122 -36.1109 -36.1109 -17.6141 -17.6141 -17.3760 -17.3760 -17.3682 -17.3682 -17.2930 -17.2930 -17.0792 -17.0792 -17.0224 -17.0224 -17.0112 -17.0112 -16.9353 -16.9353 -16.9271 -16.9271 -11.0733 -11.0733 -11.0086 -11.0086 -0.2656 -0.2656 0.1287 0.1287 0.3777 0.3777 0.5737 0.5737 0.6206 0.6206 0.8731 0.8731 0.9816 0.9816 4.9011 4.9011 5.2997 5.2997 5.3421 5.3421 7.1874 7.1874 7.4033 7.4033 7.4257 7.4257 8.0621 8.0621 8.2812 8.2849 k =-0.1570 0.2726 0.4376 ( 7785 PWs) bands (ev): -36.3438 -36.3438 -36.1122 -36.1122 -36.1109 -36.1109 -17.6143 -17.6143 -17.3759 -17.3759 -17.3684 -17.3684 -17.2933 -17.2933 -17.0791 -17.0791 -17.0222 -17.0222 -17.0115 -17.0115 -16.9356 -16.9356 -16.9276 -16.9276 -11.0691 -11.0691 -11.0096 -11.0096 -0.2675 -0.2675 0.1275 0.1275 0.3680 0.3680 0.5800 0.5800 0.6236 0.6236 0.8623 0.8623 0.9774 0.9774 4.8474 4.8474 5.3001 5.3001 5.3657 5.3657 7.1273 7.1273 7.3858 7.3858 7.4724 7.4724 8.0946 8.0946 8.2957 8.2958 k =-0.1641 0.2850 0.4575 ( 7785 PWs) bands (ev): -36.3438 -36.3438 -36.1122 -36.1122 -36.1109 -36.1109 -17.6145 -17.6145 -17.3759 -17.3759 -17.3687 -17.3687 -17.2935 -17.2935 -17.0791 -17.0791 -17.0220 -17.0220 -17.0118 -17.0118 -16.9359 -16.9359 -16.9281 -16.9281 -11.0650 -11.0650 -11.0105 -11.0105 -0.2702 -0.2702 0.1252 0.1252 0.3600 0.3600 0.5844 0.5844 0.6295 0.6295 0.8521 0.8521 0.9731 0.9731 4.7975 4.7975 5.3015 5.3015 5.3902 5.3902 7.0693 7.0693 7.3505 7.3505 7.5321 7.5321 8.1283 8.1283 8.2827 8.2827 k =-0.1712 0.2974 0.4774 ( 7779 PWs) bands (ev): -36.3437 -36.3437 -36.1121 -36.1121 -36.1109 -36.1109 -17.6147 -17.6147 -17.3758 -17.3758 -17.3689 -17.3689 -17.2938 -17.2938 -17.0790 -17.0790 -17.0218 -17.0218 -17.0121 -17.0121 -16.9361 -16.9361 -16.9286 -16.9286 -11.0609 -11.0609 -11.0116 -11.0116 -0.2736 -0.2736 0.1221 0.1221 0.3538 0.3538 0.5869 0.5869 0.6378 0.6378 0.8425 0.8425 0.9687 0.9687 4.7517 4.7517 5.3042 5.3042 5.4151 5.4151 7.0136 7.0136 7.3119 7.3119 7.5904 7.5904 8.1629 8.1629 8.2628 8.2628 k =-0.1784 0.3097 0.4973 ( 7784 PWs) bands (ev): -36.3437 -36.3437 -36.1121 -36.1121 -36.1109 -36.1109 -17.6149 -17.6149 -17.3757 -17.3757 -17.3692 -17.3692 -17.2941 -17.2941 -17.0789 -17.0789 -17.0216 -17.0216 -17.0124 -17.0124 -16.9364 -16.9364 -16.9291 -16.9291 -11.0569 -11.0569 -11.0127 -11.0127 -0.2775 -0.2775 0.1181 0.1181 0.3494 0.3494 0.5883 0.5883 0.6476 0.6476 0.8334 0.8334 0.9641 0.9641 4.7102 4.7102 5.3085 5.3085 5.4402 5.4402 6.9605 6.9605 7.2706 7.2706 7.6466 7.6466 8.1983 8.1983 8.2378 8.2378 k =-0.1855 0.3221 0.5172 ( 7792 PWs) bands (ev): -36.3437 -36.3437 -36.1121 -36.1121 -36.1109 -36.1109 -17.6150 -17.6150 -17.3757 -17.3757 -17.3694 -17.3694 -17.2943 -17.2943 -17.0789 -17.0789 -17.0215 -17.0215 -17.0127 -17.0127 -16.9366 -16.9366 -16.9295 -16.9295 -11.0530 -11.0530 -11.0140 -11.0140 -0.2818 -0.2818 0.1135 0.1135 0.3469 0.3469 0.5890 0.5890 0.6580 0.6580 0.8249 0.8249 0.9596 0.9596 4.6733 4.6733 5.3143 5.3143 5.4651 5.4651 6.9098 6.9098 7.2270 7.2270 7.7004 7.7004 8.2077 8.2077 8.2350 8.2350 k =-0.1926 0.3345 0.5371 ( 7796 PWs) bands (ev): -36.3437 -36.3437 -36.1120 -36.1120 -36.1109 -36.1109 -17.6152 -17.6152 -17.3756 -17.3756 -17.3697 -17.3697 -17.2945 -17.2945 -17.0788 -17.0788 -17.0213 -17.0213 -17.0130 -17.0130 -16.9368 -16.9368 -16.9300 -16.9300 -11.0493 -11.0493 -11.0153 -11.0153 -0.2863 -0.2863 0.1085 0.1085 0.3459 0.3459 0.5891 0.5891 0.6685 0.6685 0.8171 0.8171 0.9551 0.9551 4.6412 4.6412 5.3218 5.3218 5.4896 5.4896 6.8620 6.8620 7.1817 7.1817 7.7515 7.7515 8.1735 8.1735 8.2720 8.2720 k =-0.1998 0.3469 0.5570 ( 7794 PWs) bands (ev): -36.3437 -36.3437 -36.1120 -36.1120 -36.1109 -36.1109 -17.6154 -17.6154 -17.3755 -17.3755 -17.3699 -17.3699 -17.2947 -17.2947 -17.0788 -17.0788 -17.0211 -17.0211 -17.0133 -17.0133 -16.9369 -16.9369 -16.9304 -16.9304 -11.0457 -11.0457 -11.0167 -11.0167 -0.2909 -0.2909 0.1033 0.1033 0.3463 0.3463 0.5888 0.5888 0.6783 0.6783 0.8103 0.8103 0.9507 0.9507 4.6141 4.6141 5.3311 5.3311 5.5133 5.5133 6.8170 6.8170 7.1351 7.1351 7.7995 7.7995 8.1347 8.1347 8.3098 8.3098 k =-0.2069 0.3593 0.5769 ( 7782 PWs) bands (ev): -36.3436 -36.3436 -36.1120 -36.1120 -36.1109 -36.1109 -17.6155 -17.6155 -17.3753 -17.3753 -17.3702 -17.3702 -17.2949 -17.2949 -17.0787 -17.0787 -17.0209 -17.0209 -17.0136 -17.0136 -16.9371 -16.9371 -16.9307 -16.9307 -11.0422 -11.0422 -11.0182 -11.0182 -0.2954 -0.2954 0.0983 0.0983 0.3477 0.3477 0.5882 0.5882 0.6867 0.6867 0.8049 0.8049 0.9465 0.9465 4.5922 4.5922 5.3420 5.3420 5.5359 5.5359 6.7750 6.7750 7.0875 7.0875 7.8442 7.8442 8.0917 8.0917 8.3483 8.3483 k =-0.2140 0.3717 0.5968 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1119 -36.1119 -36.1109 -36.1109 -17.6156 -17.6156 -17.3752 -17.3752 -17.3704 -17.3704 -17.2950 -17.2950 -17.0787 -17.0787 -17.0207 -17.0207 -17.0138 -17.0138 -16.9371 -16.9371 -16.9310 -16.9310 -11.0390 -11.0390 -11.0197 -11.0197 -0.2995 -0.2995 0.0937 0.0937 0.3496 0.3496 0.5875 0.5875 0.6930 0.6930 0.8017 0.8017 0.9426 0.9426 4.5755 4.5755 5.3547 5.3547 5.5569 5.5569 6.7360 6.7360 7.0395 7.0395 7.8852 7.8852 8.0449 8.0449 8.3872 8.3872 k =-0.2212 0.3841 0.6167 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1119 -36.1119 -36.1109 -36.1109 -17.6157 -17.6157 -17.3751 -17.3751 -17.3706 -17.3706 -17.2951 -17.2951 -17.0787 -17.0787 -17.0205 -17.0205 -17.0141 -17.0141 -16.9372 -16.9372 -16.9313 -16.9313 -11.0359 -11.0359 -11.0214 -11.0214 -0.3033 -0.3033 0.0896 0.0896 0.3517 0.3517 0.5868 0.5868 0.6961 0.6961 0.8012 0.8012 0.9391 0.9391 4.5642 4.5642 5.3690 5.3690 5.5760 5.5760 6.7002 6.7002 6.9914 6.9914 7.9222 7.9222 7.9951 7.9951 8.4265 8.4266 k =-0.2283 0.3965 0.6366 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1119 -36.1119 -36.1110 -36.1110 -17.6158 -17.6158 -17.3750 -17.3750 -17.3708 -17.3708 -17.2952 -17.2952 -17.0786 -17.0786 -17.0203 -17.0203 -17.0143 -17.0143 -16.9372 -16.9372 -16.9316 -16.9316 -11.0330 -11.0330 -11.0231 -11.0231 -0.3065 -0.3065 0.0864 0.0864 0.3535 0.3535 0.5863 0.5863 0.6956 0.6956 0.8040 0.8040 0.9360 0.9360 4.5582 4.5582 5.3850 5.3850 5.5927 5.5927 6.6677 6.6677 6.9437 6.9437 7.9423 7.9423 7.9557 7.9557 8.4662 8.4669 k =-0.2354 0.4089 0.6565 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6158 -17.6158 -17.3748 -17.3748 -17.3710 -17.3710 -17.2953 -17.2953 -17.0786 -17.0786 -17.0201 -17.0201 -17.0146 -17.0146 -16.9372 -16.9372 -16.9318 -16.9318 -11.0304 -11.0304 -11.0249 -11.0249 -0.3091 -0.3091 0.0841 0.0841 0.3546 0.3546 0.5863 0.5863 0.6916 0.6916 0.8097 0.8097 0.9335 0.9335 4.5575 4.5575 5.4025 5.4025 5.6067 5.6067 6.6385 6.6385 6.8968 6.8968 7.8896 7.8896 7.9834 7.9834 8.5062 8.5434 k =-0.2426 0.4213 0.6764 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3747 -17.3747 -17.3712 -17.3712 -17.2953 -17.2953 -17.0786 -17.0786 -17.0199 -17.0199 -17.0148 -17.0148 -16.9371 -16.9371 -16.9320 -16.9320 -11.0280 -11.0280 -11.0268 -11.0268 -0.3110 -0.3110 0.0829 0.0829 0.3545 0.3545 0.5870 0.5870 0.6848 0.6848 0.8175 0.8175 0.9317 0.9317 4.5622 4.5622 5.4214 5.4214 5.6173 5.6173 6.6127 6.6127 6.8512 6.8512 7.8363 7.8363 8.0069 8.0069 8.5511 8.5516 k =-0.2497 0.4336 0.6963 ( 7792 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3745 -17.3745 -17.3714 -17.3714 -17.2953 -17.2953 -17.0786 -17.0786 -17.0197 -17.0197 -17.0150 -17.0150 -16.9370 -16.9370 -16.9321 -16.9321 -11.0288 -11.0288 -11.0258 -11.0258 -0.3122 -0.3122 0.0828 0.0828 0.3531 0.3531 0.5887 0.5887 0.6759 0.6759 0.8267 0.8267 0.9307 0.9307 4.5721 4.5721 5.4414 5.4414 5.6242 5.6242 6.5904 6.5904 6.8071 6.8071 7.7840 7.7840 8.0255 8.0255 8.5426 8.5426 k =-0.2568 0.4460 0.7161 ( 7798 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3743 -17.3743 -17.3716 -17.3716 -17.2953 -17.2953 -17.0786 -17.0786 -17.0195 -17.0195 -17.0152 -17.0152 -16.9368 -16.9368 -16.9323 -16.9323 -11.0308 -11.0308 -11.0239 -11.0239 -0.3128 -0.3128 0.0839 0.0839 0.3500 0.3500 0.5916 0.5916 0.6657 0.6657 0.8364 0.8364 0.9308 0.9308 4.5871 4.5871 5.4624 5.4624 5.6270 5.6270 6.5717 6.5717 6.7651 6.7651 7.7338 7.7338 8.0387 8.0387 8.5202 8.5202 k =-0.2640 0.4584 0.7360 ( 7806 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3742 -17.3742 -17.3718 -17.3718 -17.2953 -17.2953 -17.0786 -17.0786 -17.0193 -17.0193 -17.0154 -17.0154 -16.9367 -16.9367 -16.9323 -16.9323 -11.0329 -11.0329 -11.0222 -11.0222 -0.3127 -0.3127 0.0862 0.0862 0.3455 0.3455 0.5956 0.5956 0.6545 0.6545 0.8461 0.8461 0.9319 0.9319 4.6070 4.6070 5.4841 5.4841 5.6254 5.6254 6.5566 6.5566 6.7257 6.7257 7.6865 7.6865 8.0461 8.0461 8.4845 8.4845 k =-0.2711 0.4708 0.7559 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3740 -17.3740 -17.3719 -17.3719 -17.2952 -17.2952 -17.0786 -17.0786 -17.0191 -17.0191 -17.0155 -17.0155 -16.9365 -16.9365 -16.9323 -16.9323 -11.0351 -11.0351 -11.0208 -11.0208 -0.3122 -0.3122 0.0896 0.0896 0.3396 0.3396 0.6005 0.6005 0.6430 0.6430 0.8552 0.8552 0.9345 0.9345 4.6316 4.6316 5.5059 5.5059 5.6190 5.6190 6.5452 6.5452 6.6893 6.6893 7.6429 7.6429 8.0468 8.0468 8.4386 8.4386 k =-0.2782 0.4832 0.7758 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3738 -17.3738 -17.3721 -17.3721 -17.2951 -17.2951 -17.0787 -17.0787 -17.0189 -17.0189 -17.0157 -17.0157 -16.9362 -16.9362 -16.9323 -16.9323 -11.0373 -11.0373 -11.0196 -11.0196 -0.3114 -0.3114 0.0941 0.0941 0.3326 0.3326 0.6056 0.6056 0.6323 0.6323 0.8635 0.8635 0.9384 0.9384 4.6608 4.6608 5.5276 5.5276 5.6077 5.6077 6.5374 6.5374 6.6565 6.6565 7.6036 7.6036 8.0398 8.0398 8.3872 8.3872 k =-0.2782 0.4832 0.7758 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3738 -17.3738 -17.3721 -17.3721 -17.2951 -17.2951 -17.0787 -17.0787 -17.0189 -17.0189 -17.0157 -17.0157 -16.9362 -16.9362 -16.9323 -16.9323 -11.0373 -11.0373 -11.0196 -11.0196 -0.3114 -0.3114 0.0941 0.0941 0.3326 0.3326 0.6056 0.6056 0.6323 0.6323 0.8635 0.8635 0.9384 0.9384 4.6608 4.6608 5.5276 5.5276 5.6077 5.6077 6.5374 6.5374 6.6565 6.6565 7.6036 7.6036 8.0398 8.0398 8.3872 8.3872 k =-0.2685 0.4662 0.7899 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3738 -17.3738 -17.3721 -17.3721 -17.2951 -17.2951 -17.0787 -17.0787 -17.0189 -17.0189 -17.0157 -17.0157 -16.9362 -16.9362 -16.9323 -16.9323 -11.0372 -11.0372 -11.0195 -11.0195 -0.3107 -0.3107 0.0938 0.0938 0.3313 0.3313 0.6008 0.6008 0.6370 0.6370 0.8621 0.8621 0.9389 0.9389 4.6602 4.6602 5.5260 5.5260 5.6049 5.6049 6.5424 6.5424 6.6584 6.6584 7.6068 7.6068 8.0405 8.0405 8.3886 8.3886 k =-0.2587 0.4493 0.8040 ( 7802 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3738 -17.3738 -17.3721 -17.3721 -17.2951 -17.2951 -17.0787 -17.0787 -17.0190 -17.0190 -17.0157 -17.0157 -16.9362 -16.9362 -16.9323 -16.9323 -11.0369 -11.0369 -11.0193 -11.0193 -0.3087 -0.3087 0.0927 0.0927 0.3275 0.3275 0.5912 0.5912 0.6461 0.6461 0.8581 0.8581 0.9400 0.9400 4.6584 4.6584 5.5212 5.5212 5.5966 5.5966 6.5570 6.5570 6.6645 6.6645 7.6163 7.6163 8.0425 8.0425 8.3932 8.3932 k =-0.2489 0.4323 0.8180 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3739 -17.3739 -17.3722 -17.3722 -17.2951 -17.2951 -17.0787 -17.0787 -17.0190 -17.0190 -17.0158 -17.0158 -16.9362 -16.9362 -16.9323 -16.9323 -11.0363 -11.0363 -11.0188 -11.0188 -0.3053 -0.3053 0.0910 0.0910 0.3211 0.3211 0.5806 0.5806 0.6559 0.6559 0.8520 0.8520 0.9413 0.9413 4.6556 4.6556 5.5130 5.5130 5.5835 5.5835 6.5809 6.5809 6.6747 6.6747 7.6319 7.6319 8.0446 8.0446 8.4011 8.4011 k =-0.2392 0.4154 0.8321 ( 7804 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3740 -17.3740 -17.3723 -17.3723 -17.2951 -17.2951 -17.0787 -17.0787 -17.0191 -17.0191 -17.0158 -17.0158 -16.9362 -16.9362 -16.9323 -16.9323 -11.0355 -11.0355 -11.0182 -11.0182 -0.3006 -0.3006 0.0885 0.0885 0.3123 0.3123 0.5704 0.5704 0.6651 0.6651 0.8443 0.8443 0.9425 0.9425 4.6519 4.6519 5.5015 5.5015 5.5663 5.5663 6.6130 6.6130 6.6896 6.6896 7.6532 7.6532 8.0456 8.0456 8.4128 8.4128 k =-0.2294 0.3984 0.8462 ( 7804 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3740 -17.3740 -17.3724 -17.3724 -17.2951 -17.2951 -17.0787 -17.0787 -17.0192 -17.0192 -17.0158 -17.0158 -16.9362 -16.9362 -16.9322 -16.9322 -11.0345 -11.0345 -11.0175 -11.0175 -0.2947 -0.2947 0.0854 0.0854 0.3011 0.3011 0.5609 0.5609 0.6733 0.6733 0.8356 0.8356 0.9432 0.9432 4.6475 4.6475 5.4865 5.4865 5.5459 5.5459 6.6524 6.6524 6.7095 6.7095 7.6797 7.6797 8.0439 8.0439 8.4284 8.4284 k =-0.2196 0.3814 0.8602 ( 7806 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3742 -17.3742 -17.3725 -17.3725 -17.2950 -17.2950 -17.0788 -17.0788 -17.0193 -17.0193 -17.0159 -17.0159 -16.9363 -16.9363 -16.9322 -16.9322 -11.0333 -11.0333 -11.0166 -11.0166 -0.2875 -0.2875 0.0815 0.0815 0.2880 0.2880 0.5524 0.5524 0.6800 0.6800 0.8264 0.8264 0.9430 0.9430 4.6424 4.6424 5.4682 5.4682 5.5234 5.5234 6.6982 6.6982 6.7346 6.7346 7.7108 7.7108 8.0384 8.0384 8.4473 8.4473 k =-0.2099 0.3645 0.8743 ( 7814 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3743 -17.3743 -17.3726 -17.3726 -17.2950 -17.2950 -17.0788 -17.0788 -17.0195 -17.0195 -17.0160 -17.0160 -16.9363 -16.9363 -16.9322 -16.9322 -11.0319 -11.0319 -11.0156 -11.0156 -0.2792 -0.2792 0.0768 0.0768 0.2730 0.2730 0.5449 0.5449 0.6852 0.6852 0.8170 0.8170 0.9419 0.9419 4.6371 4.6371 5.4466 5.4466 5.4994 5.4994 6.7493 6.7493 6.7652 6.7652 7.7457 7.7457 8.0286 8.0286 8.4683 8.4683 k =-0.2001 0.3475 0.8884 ( 7820 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3744 -17.3744 -17.3728 -17.3728 -17.2950 -17.2950 -17.0789 -17.0789 -17.0196 -17.0196 -17.0161 -17.0161 -16.9363 -16.9363 -16.9321 -16.9321 -11.0304 -11.0304 -11.0144 -11.0144 -0.2699 -0.2699 0.0714 0.0714 0.2567 0.2567 0.5385 0.5385 0.6885 0.6885 0.8080 0.8080 0.9397 0.9397 4.6315 4.6315 5.4220 5.4220 5.4747 5.4747 6.7995 6.7995 6.8071 6.8071 7.7835 7.7835 8.0148 8.0148 8.4891 8.4891 k =-0.1903 0.3305 0.9024 ( 7818 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3745 -17.3745 -17.3729 -17.3729 -17.2950 -17.2950 -17.0789 -17.0789 -17.0198 -17.0198 -17.0162 -17.0162 -16.9363 -16.9363 -16.9321 -16.9321 -11.0287 -11.0287 -11.0132 -11.0132 -0.2597 -0.2597 0.0653 0.0653 0.2395 0.2395 0.5330 0.5330 0.6898 0.6898 0.7996 0.7996 0.9364 0.9364 4.6260 4.6260 5.3950 5.3950 5.4498 5.4498 6.8415 6.8415 6.8666 6.8666 7.8231 7.8231 7.9976 7.9976 8.5079 8.5079 k =-0.1806 0.3136 0.9165 ( 7820 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3747 -17.3747 -17.3731 -17.3731 -17.2949 -17.2949 -17.0789 -17.0789 -17.0200 -17.0200 -17.0162 -17.0162 -16.9363 -16.9363 -16.9320 -16.9320 -11.0269 -11.0269 -11.0119 -11.0119 -0.2487 -0.2487 0.0585 0.0585 0.2218 0.2218 0.5284 0.5284 0.6892 0.6892 0.7922 0.7922 0.9320 0.9320 4.6206 4.6206 5.3660 5.3660 5.4253 5.4253 6.8878 6.8878 6.9303 6.9303 7.8636 7.8636 7.9780 7.9780 8.5239 8.5239 k =-0.1708 0.2966 0.9306 ( 7818 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3748 -17.3748 -17.3733 -17.3733 -17.2949 -17.2949 -17.0790 -17.0790 -17.0202 -17.0202 -17.0163 -17.0163 -16.9363 -16.9363 -16.9319 -16.9319 -11.0250 -11.0250 -11.0106 -11.0106 -0.2371 -0.2371 0.0510 0.0510 0.2040 0.2040 0.5245 0.5245 0.6866 0.6866 0.7859 0.7859 0.9266 0.9266 4.6155 4.6155 5.3355 5.3355 5.4014 5.4014 6.9388 6.9388 6.9973 6.9973 7.9039 7.9039 7.9569 7.9569 8.5372 8.5372 k =-0.1610 0.2797 0.9446 ( 7809 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3750 -17.3750 -17.3735 -17.3735 -17.2949 -17.2949 -17.0790 -17.0790 -17.0204 -17.0204 -17.0164 -17.0164 -16.9363 -16.9363 -16.9319 -16.9319 -11.0230 -11.0230 -11.0093 -11.0093 -0.2252 -0.2252 0.0430 0.0430 0.1868 0.1868 0.5213 0.5213 0.6821 0.6821 0.7808 0.7808 0.9200 0.9200 4.6108 4.6108 5.3041 5.3041 5.3786 5.3786 6.9941 6.9941 7.0670 7.0670 7.9343 7.9343 7.9439 7.9439 8.5488 8.5488 k =-0.1513 0.2627 0.9587 ( 7809 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3751 -17.3751 -17.3736 -17.3736 -17.2948 -17.2948 -17.0791 -17.0791 -17.0205 -17.0205 -17.0165 -17.0165 -16.9364 -16.9364 -16.9318 -16.9318 -11.0210 -11.0210 -11.0079 -11.0079 -0.2131 -0.2131 0.0345 0.0345 0.1705 0.1705 0.5185 0.5185 0.6760 0.6760 0.7770 0.7770 0.9126 0.9126 4.6066 4.6066 5.2725 5.2725 5.3570 5.3570 7.0532 7.0532 7.1391 7.1391 7.9129 7.9129 7.9809 7.9809 8.5592 8.5592 k =-0.1415 0.2457 0.9728 ( 7812 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3753 -17.3753 -17.3738 -17.3738 -17.2948 -17.2948 -17.0791 -17.0791 -17.0207 -17.0207 -17.0166 -17.0166 -16.9364 -16.9364 -16.9317 -16.9317 -11.0190 -11.0190 -11.0066 -11.0066 -0.2013 -0.2013 0.0258 0.0258 0.1555 0.1555 0.5161 0.5161 0.6686 0.6686 0.7741 0.7741 0.9042 0.9042 4.6029 4.6029 5.2412 5.2412 5.3368 5.3368 7.1154 7.1154 7.2133 7.2133 7.8915 7.8915 8.0158 8.0158 8.5688 8.5688 k =-0.1317 0.2288 0.9868 ( 7800 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3755 -17.3755 -17.3740 -17.3740 -17.2948 -17.2948 -17.0791 -17.0791 -17.0209 -17.0209 -17.0167 -17.0167 -16.9364 -16.9364 -16.9317 -16.9317 -11.0170 -11.0170 -11.0053 -11.0053 -0.1901 -0.1901 0.0170 0.0170 0.1424 0.1424 0.5140 0.5140 0.6602 0.6602 0.7723 0.7723 0.8952 0.8952 4.5997 4.5997 5.2107 5.2107 5.3181 5.3181 7.1802 7.1802 7.2892 7.2892 7.8710 7.8710 8.0477 8.0477 8.5777 8.5777 k =-0.1220 0.2118 1.0009 ( 7804 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3756 -17.3756 -17.3742 -17.3742 -17.2947 -17.2947 -17.0792 -17.0792 -17.0211 -17.0211 -17.0168 -17.0168 -16.9364 -16.9364 -16.9316 -16.9316 -11.0150 -11.0150 -11.0041 -11.0041 -0.1799 -0.1799 0.0084 0.0084 0.1316 0.1316 0.5121 0.5121 0.6510 0.6510 0.7713 0.7713 0.8855 0.8855 4.5970 4.5970 5.1815 5.1815 5.3011 5.3011 7.2469 7.2469 7.3664 7.3664 7.8519 7.8519 8.0762 8.0762 8.5859 8.5860 k =-0.1122 0.1948 1.0150 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6160 -17.6160 -17.3758 -17.3758 -17.3743 -17.3743 -17.2947 -17.2947 -17.0792 -17.0792 -17.0213 -17.0213 -17.0168 -17.0168 -16.9364 -16.9364 -16.9315 -16.9315 -11.0130 -11.0130 -11.0030 -11.0030 -0.1713 -0.1713 0.0002 0.0002 0.1235 0.1235 0.5104 0.5104 0.6413 0.6413 0.7711 0.7711 0.8754 0.8754 4.5948 4.5948 5.1540 5.1540 5.2857 5.2857 7.3144 7.3144 7.4448 7.4448 7.8349 7.8349 8.1006 8.1006 8.5918 8.5925 k =-0.1024 0.1779 1.0290 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6160 -17.6160 -17.3759 -17.3759 -17.3744 -17.3744 -17.2947 -17.2947 -17.0793 -17.0793 -17.0215 -17.0215 -17.0169 -17.0169 -16.9365 -16.9365 -16.9315 -16.9315 -11.0112 -11.0112 -11.0020 -11.0020 -0.1646 -0.1646 -0.0072 -0.0072 0.1184 0.1184 0.5087 0.5087 0.6313 0.6313 0.7715 0.7715 0.8650 0.8650 4.5931 4.5931 5.1288 5.1288 5.2722 5.2722 7.3815 7.3815 7.5238 7.5238 7.8208 7.8208 8.1205 8.1205 8.5787 8.5825 k =-0.0927 0.1609 1.0431 ( 7802 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3761 -17.3761 -17.3746 -17.3746 -17.2946 -17.2946 -17.0793 -17.0793 -17.0216 -17.0216 -17.0170 -17.0170 -16.9365 -16.9365 -16.9314 -16.9314 -11.0095 -11.0095 -11.0012 -11.0012 -0.1602 -0.1602 -0.0137 -0.0137 0.1166 0.1166 0.5072 0.5072 0.6211 0.6211 0.7726 0.7726 0.8545 0.8545 4.5918 4.5918 5.1060 5.1060 5.2605 5.2605 7.4462 7.4462 7.6032 7.6032 7.8111 7.8111 8.1350 8.1350 8.5385 8.5386 k =-0.0829 0.1440 1.0572 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3762 -17.3762 -17.3747 -17.3747 -17.2946 -17.2946 -17.0793 -17.0793 -17.0218 -17.0218 -17.0170 -17.0170 -16.9365 -16.9365 -16.9314 -16.9314 -11.0079 -11.0079 -11.0005 -11.0005 -0.1581 -0.1581 -0.0193 -0.0193 0.1182 0.1182 0.5058 0.5058 0.6108 0.6108 0.7741 0.7741 0.8443 0.8443 4.5909 4.5909 5.0860 5.0860 5.2506 5.2506 7.5054 7.5054 7.6822 7.6822 7.8087 7.8087 8.1430 8.1430 8.4902 8.4902 k =-0.0829 0.1440 1.0572 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3762 -17.3762 -17.3747 -17.3747 -17.2946 -17.2946 -17.0793 -17.0793 -17.0218 -17.0218 -17.0170 -17.0170 -16.9365 -16.9365 -16.9314 -16.9314 -11.0079 -11.0079 -11.0005 -11.0005 -0.1581 -0.1581 -0.0193 -0.0193 0.1182 0.1182 0.5058 0.5058 0.6108 0.6108 0.7741 0.7741 0.8443 0.8443 4.5909 4.5909 5.0860 5.0860 5.2506 5.2506 7.5054 7.5054 7.6822 7.6822 7.8087 7.8087 8.1430 8.1430 8.4902 8.4902 k =-0.0710 0.1234 1.0572 ( 7808 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3763 -17.3763 -17.3748 -17.3748 -17.2947 -17.2947 -17.0794 -17.0794 -17.0219 -17.0219 -17.0170 -17.0170 -16.9366 -16.9366 -16.9314 -16.9314 -11.0062 -11.0062 -10.9999 -10.9999 -0.1626 -0.1626 -0.0236 -0.0236 0.1319 0.1319 0.5046 0.5046 0.5971 0.5971 0.7730 0.7730 0.8355 0.8355 4.5808 4.5808 5.0758 5.0758 5.2471 5.2471 7.5438 7.5438 7.7378 7.7378 7.8162 7.8162 8.1624 8.1624 8.4397 8.4397 k =-0.0592 0.1028 1.0572 ( 7803 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3764 -17.3764 -17.3749 -17.3749 -17.2947 -17.2947 -17.0794 -17.0794 -17.0221 -17.0221 -17.0170 -17.0170 -16.9367 -16.9367 -16.9314 -16.9314 -11.0048 -11.0048 -10.9994 -10.9994 -0.1669 -0.1669 -0.0279 -0.0279 0.1459 0.1459 0.5044 0.5044 0.5833 0.5833 0.7727 0.7727 0.8270 0.8270 4.5724 4.5724 5.0674 5.0674 5.2440 5.2440 7.5718 7.5718 7.7916 7.7916 7.8359 7.8359 8.1710 8.1710 8.3872 8.3872 k =-0.0474 0.0823 1.0572 ( 7799 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3764 -17.3764 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0222 -17.0222 -17.0170 -17.0170 -16.9368 -16.9368 -16.9314 -16.9314 -11.0037 -11.0037 -10.9989 -10.9989 -0.1707 -0.1707 -0.0318 -0.0318 0.1591 0.1591 0.5054 0.5054 0.5698 0.5698 0.7733 0.7733 0.8190 0.8190 4.5658 4.5658 5.0607 5.0607 5.2415 5.2415 7.5890 7.5890 7.8425 7.8425 7.8693 7.8693 8.1675 8.1675 8.3334 8.3334 k =-0.0355 0.0617 1.0572 ( 7787 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3765 -17.3765 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0222 -17.0222 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0027 -11.0027 -10.9986 -10.9986 -0.1739 -0.1739 -0.0351 -0.0351 0.1706 0.1706 0.5077 0.5077 0.5570 0.5570 0.7747 0.7747 0.8117 0.8117 4.5607 4.5607 5.0555 5.0555 5.2394 5.2394 7.5975 7.5975 7.8899 7.8899 7.9135 7.9135 8.1526 8.1526 8.2795 8.2795 k =-0.0237 0.0411 1.0572 ( 7787 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3765 -17.3765 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0021 -11.0021 -10.9984 -10.9984 -0.1762 -0.1762 -0.0375 -0.0375 0.1794 0.1794 0.5115 0.5115 0.5451 0.5451 0.7765 0.7765 0.8055 0.8055 4.5571 4.5571 5.0518 5.0518 5.2380 5.2380 7.6010 7.6010 7.9348 7.9348 7.9617 7.9617 8.1285 8.1285 8.2274 8.2274 k =-0.0118 0.0206 1.0572 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0017 -11.0017 -10.9982 -10.9982 -0.1776 -0.1776 -0.0390 -0.0390 0.1851 0.1851 0.5168 0.5168 0.5348 0.5348 0.7784 0.7784 0.8010 0.8010 4.5550 4.5550 5.0497 5.0497 5.2371 5.2371 7.6021 7.6021 7.9733 7.9733 8.0073 8.0073 8.0991 8.0991 8.1829 8.1829 k = 0.0000 0.0000 1.0572 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9370 -16.9370 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1780 -0.1780 -0.0395 -0.0395 0.1870 0.1870 0.5214 0.5214 0.5285 0.5285 0.7793 0.7793 0.7993 0.7993 4.5543 4.5543 5.0489 5.0489 5.2368 5.2368 7.6023 7.6023 7.9909 7.9909 8.0342 8.0342 8.0785 8.0785 8.1624 8.1624 k = 0.0000 0.0000 1.0572 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9370 -16.9370 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1780 -0.1780 -0.0395 -0.0395 0.1870 0.1870 0.5214 0.5214 0.5285 0.5285 0.7793 0.7793 0.7993 0.7993 4.5543 4.5543 5.0489 5.0489 5.2368 5.2368 7.6023 7.6023 7.9909 7.9909 8.0342 8.0342 8.0785 8.0785 8.1624 8.1624 k = 0.0208 0.0120 1.0572 ( 7784 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1777 -0.1777 -0.0398 -0.0398 0.1871 0.1871 0.5152 0.5152 0.5349 0.5349 0.7772 0.7772 0.8012 0.8012 4.5545 4.5545 5.0486 5.0486 5.2365 5.2365 7.6038 7.6038 7.9890 7.9890 8.0305 8.0305 8.0808 8.0808 8.1671 8.1671 k = 0.0417 0.0240 1.0572 ( 7780 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1769 -0.1769 -0.0409 -0.0409 0.1873 0.1873 0.5067 0.5067 0.5441 0.5441 0.7724 0.7724 0.8054 0.8054 4.5553 4.5553 5.0475 5.0475 5.2358 5.2358 7.6082 7.6082 7.9835 7.9835 8.0215 8.0215 8.0863 8.0863 8.1800 8.1800 k = 0.0625 0.0360 1.0572 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1755 -0.1755 -0.0427 -0.0427 0.1877 0.1877 0.4984 0.4984 0.5535 0.5535 0.7663 0.7663 0.8103 0.8103 4.5566 4.5566 5.0459 5.0459 5.2345 5.2345 7.6154 7.6154 7.9756 7.9756 8.0100 8.0100 8.0930 8.0930 8.1989 8.1989 k = 0.0833 0.0480 1.0572 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1736 -0.1736 -0.0450 -0.0450 0.1882 0.1882 0.4905 0.4905 0.5631 0.5631 0.7598 0.7598 0.8153 0.8153 4.5582 4.5582 5.0437 5.0437 5.2329 5.2329 7.6251 7.6251 7.9659 7.9659 7.9980 7.9980 8.0999 8.0999 8.2218 8.2218 k = 0.1042 0.0600 1.0572 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1714 -0.1714 -0.0479 -0.0479 0.1889 0.1889 0.4831 0.4831 0.5726 0.5726 0.7530 0.7530 0.8201 0.8201 4.5602 4.5602 5.0412 5.0412 5.2310 5.2310 7.6370 7.6370 7.9551 7.9551 7.9864 7.9864 8.1067 8.1067 8.2470 8.2470 k = 0.1250 0.0720 1.0572 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3750 -17.3750 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1688 -0.1688 -0.0510 -0.0510 0.1896 0.1896 0.4763 0.4763 0.5819 0.5819 0.7461 0.7461 0.8245 0.8245 4.5623 4.5623 5.0384 5.0384 5.2289 5.2289 7.6505 7.6505 7.9431 7.9431 7.9764 7.9764 8.1129 8.1129 8.2732 8.2732 k = 0.1458 0.0840 1.0572 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1661 -0.1661 -0.0543 -0.0543 0.1903 0.1903 0.4703 0.4703 0.5907 0.5907 0.7394 0.7394 0.8285 0.8285 4.5644 4.5644 5.0356 5.0356 5.2269 5.2269 7.6651 7.6651 7.9301 7.9301 7.9684 7.9684 8.1185 8.1185 8.2990 8.2990 k = 0.1667 0.0960 1.0572 ( 7788 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1634 -0.1634 -0.0576 -0.0576 0.1910 0.1910 0.4652 0.4652 0.5989 0.5989 0.7331 0.7331 0.8318 0.8318 4.5664 4.5664 5.0330 5.0330 5.2250 5.2250 7.6799 7.6799 7.9167 7.9167 7.9624 7.9624 8.1232 8.1232 8.3231 8.3231 k = 0.1875 0.1080 1.0572 ( 7788 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1610 -0.1610 -0.0605 -0.0605 0.1917 0.1917 0.4610 0.4610 0.6061 0.6061 0.7274 0.7274 0.8345 0.8345 4.5681 4.5681 5.0307 5.0307 5.2234 5.2234 7.6941 7.6941 7.9037 7.9037 7.9581 7.9581 8.1270 8.1270 8.3438 8.3438 k = 0.2083 0.1200 1.0572 ( 7786 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1590 -0.1590 -0.0628 -0.0628 0.1922 0.1922 0.4580 0.4580 0.6117 0.6117 0.7228 0.7228 0.8365 0.8365 4.5695 4.5695 5.0290 5.0290 5.2222 5.2222 7.7061 7.7061 7.8926 7.8926 7.9553 7.9553 8.1298 8.1298 8.3598 8.3598 k = 0.2292 0.1320 1.0572 ( 7784 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1578 -0.1578 -0.0644 -0.0644 0.1925 0.1925 0.4561 0.4561 0.6154 0.6154 0.7198 0.7198 0.8376 0.8376 4.5704 4.5704 5.0278 5.0278 5.2214 5.2214 7.7145 7.7145 7.8849 7.8849 7.9537 7.9537 8.1314 8.1315 8.3697 8.3697 k = 0.2500 0.1440 1.0572 ( 7792 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1573 -0.1573 -0.0649 -0.0649 0.1926 0.1926 0.4555 0.4555 0.6167 0.6167 0.7187 0.7187 0.8380 0.8380 4.5707 4.5707 5.0274 5.0274 5.2211 5.2211 7.7175 7.7175 7.8821 7.8821 7.9532 7.9532 8.1320 8.1320 8.3731 8.3731 k = 0.2500 0.1440 1.0572 ( 7792 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1573 -0.1573 -0.0649 -0.0649 0.1926 0.1926 0.4555 0.4555 0.6167 0.6167 0.7187 0.7187 0.8380 0.8380 4.5707 4.5707 5.0274 5.0274 5.2211 5.2211 7.7175 7.7175 7.8821 7.8821 7.9532 7.9532 8.1320 8.1320 8.3731 8.3731 k = 0.2400 0.1613 1.0428 ( 7792 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0016 -11.0016 -10.9983 -10.9983 -0.1578 -0.1578 -0.0641 -0.0641 0.1928 0.1928 0.4557 0.4557 0.6173 0.6173 0.7190 0.7190 0.8387 0.8387 4.5706 4.5706 5.0291 5.0291 5.2223 5.2223 7.7096 7.7096 7.8801 7.8801 7.9280 7.9280 8.1594 8.1594 8.3707 8.3707 k = 0.2300 0.1787 1.0284 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3748 -17.3748 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0020 -11.0020 -10.9986 -10.9986 -0.1592 -0.1592 -0.0619 -0.0619 0.1934 0.1934 0.4562 0.4562 0.6189 0.6189 0.7197 0.7197 0.8405 0.8405 4.5704 4.5704 5.0341 5.0341 5.2259 5.2259 7.6852 7.6852 7.8738 7.8738 7.8788 7.8788 8.2163 8.2163 8.3637 8.3637 k = 0.2200 0.1961 1.0140 ( 7800 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3748 -17.3748 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9315 -16.9315 -11.0025 -11.0025 -10.9991 -10.9991 -0.1616 -0.1616 -0.0583 -0.0583 0.1944 0.1944 0.4570 0.4570 0.6216 0.6216 0.7210 0.7210 0.8435 0.8435 4.5702 4.5702 5.0423 5.0423 5.2318 5.2318 7.6427 7.6427 7.8283 7.8283 7.8652 7.8652 8.2790 8.2790 8.3527 8.3527 k = 0.2100 0.2134 0.9996 ( 7800 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3766 -17.3766 -17.3747 -17.3747 -17.2948 -17.2948 -17.0794 -17.0794 -17.0222 -17.0222 -17.0169 -17.0169 -16.9369 -16.9369 -16.9315 -16.9315 -11.0032 -11.0032 -10.9999 -10.9999 -0.1649 -0.1649 -0.0534 -0.0534 0.1962 0.1962 0.4582 0.4582 0.6254 0.6254 0.7226 0.7226 0.8476 0.8476 4.5698 4.5698 5.0536 5.0536 5.2399 5.2399 7.5836 7.5836 7.7848 7.7848 7.8529 7.8529 8.3298 8.3298 8.3464 8.3464 k = 0.2000 0.2308 0.9852 ( 7802 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3765 -17.3765 -17.3746 -17.3746 -17.2949 -17.2949 -17.0793 -17.0793 -17.0221 -17.0221 -17.0169 -17.0169 -16.9369 -16.9369 -16.9315 -16.9315 -11.0042 -11.0042 -11.0008 -11.0008 -0.1693 -0.1693 -0.0473 -0.0473 0.1989 0.1989 0.4595 0.4595 0.6303 0.6303 0.7244 0.7244 0.8527 0.8527 4.5695 4.5695 5.0679 5.0679 5.2502 5.2502 7.5131 7.5131 7.7458 7.7458 7.8385 7.8385 8.3174 8.3174 8.3911 8.3911 k = 0.1900 0.2482 0.9708 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3764 -17.3764 -17.3744 -17.3744 -17.2949 -17.2949 -17.0793 -17.0793 -17.0220 -17.0220 -17.0168 -17.0168 -16.9369 -16.9369 -16.9315 -16.9315 -11.0053 -11.0053 -11.0019 -11.0019 -0.1747 -0.1747 -0.0403 -0.0403 0.2027 0.2027 0.4612 0.4612 0.6361 0.6361 0.7265 0.7265 0.8587 0.8587 4.5691 4.5691 5.0849 5.0849 5.2626 5.2626 7.4361 7.4361 7.7086 7.7086 7.8226 7.8226 8.2970 8.2970 8.4277 8.4277 k = 0.1800 0.2655 0.9563 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3763 -17.3763 -17.3742 -17.3742 -17.2949 -17.2949 -17.0793 -17.0793 -17.0219 -17.0219 -17.0167 -17.0167 -16.9369 -16.9369 -16.9315 -16.9315 -11.0065 -11.0065 -11.0032 -11.0032 -0.1811 -0.1811 -0.0324 -0.0324 0.2078 0.2078 0.4632 0.4632 0.6428 0.6428 0.7288 0.7288 0.8653 0.8653 4.5688 4.5688 5.1045 5.1045 5.2769 5.2769 7.3559 7.3559 7.6714 7.6714 7.8061 7.8061 8.2741 8.2741 8.4498 8.4498 k = 0.1700 0.2829 0.9419 ( 7802 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3762 -17.3762 -17.3741 -17.3741 -17.2949 -17.2949 -17.0792 -17.0792 -17.0218 -17.0218 -17.0166 -17.0166 -16.9369 -16.9369 -16.9316 -16.9316 -11.0079 -11.0079 -11.0046 -11.0046 -0.1885 -0.1885 -0.0239 -0.0239 0.2143 0.2143 0.4656 0.4656 0.6502 0.6502 0.7312 0.7312 0.8724 0.8724 4.5686 4.5686 5.1263 5.1263 5.2931 5.2931 7.2744 7.2744 7.6339 7.6339 7.7900 7.7900 8.2493 8.2493 8.4593 8.4593 k = 0.1600 0.3003 0.9275 ( 7804 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3761 -17.3761 -17.3739 -17.3739 -17.2950 -17.2950 -17.0792 -17.0792 -17.0216 -17.0216 -17.0165 -17.0165 -16.9369 -16.9369 -16.9316 -16.9316 -11.0094 -11.0094 -11.0061 -11.0061 -0.1966 -0.1966 -0.0150 -0.0150 0.2221 0.2221 0.4686 0.4686 0.6580 0.6580 0.7337 0.7337 0.8798 0.8798 4.5685 4.5685 5.1499 5.1499 5.3109 5.3109 7.1927 7.1927 7.5961 7.5961 7.7749 7.7749 8.2227 8.2227 8.4592 8.4592 k = 0.1500 0.3176 0.9131 ( 7806 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3760 -17.3760 -17.3737 -17.3737 -17.2950 -17.2950 -17.0792 -17.0792 -17.0215 -17.0215 -17.0164 -17.0164 -16.9369 -16.9369 -16.9317 -16.9317 -11.0110 -11.0110 -11.0077 -11.0077 -0.2055 -0.2055 -0.0060 -0.0060 0.2312 0.2312 0.4723 0.4723 0.6661 0.6661 0.7364 0.7364 0.8873 0.8873 4.5686 4.5686 5.1752 5.1752 5.3303 5.3303 7.1118 7.1118 7.5584 7.5584 7.7617 7.7617 8.1943 8.1943 8.4516 8.4516 k = 0.1400 0.3350 0.8987 ( 7806 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3759 -17.3759 -17.3735 -17.3735 -17.2950 -17.2950 -17.0791 -17.0791 -17.0213 -17.0213 -17.0162 -17.0162 -16.9370 -16.9370 -16.9317 -16.9317 -11.0127 -11.0127 -11.0094 -11.0094 -0.2148 -0.2148 0.0029 0.0029 0.2415 0.2415 0.4769 0.4769 0.6742 0.6742 0.7394 0.7394 0.8945 0.8945 4.5689 4.5689 5.2016 5.2016 5.3510 5.3510 7.0321 7.0321 7.5211 7.5211 7.7510 7.7510 8.1641 8.1641 8.4376 8.4376 k = 0.1300 0.3524 0.8843 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3757 -17.3757 -17.3733 -17.3733 -17.2951 -17.2951 -17.0791 -17.0791 -17.0211 -17.0211 -17.0161 -17.0161 -16.9370 -16.9370 -16.9318 -16.9318 -11.0144 -11.0144 -11.0111 -11.0111 -0.2244 -0.2244 0.0116 0.0116 0.2527 0.2527 0.4824 0.4824 0.6820 0.6820 0.7429 0.7429 0.9014 0.9014 4.5693 4.5693 5.2288 5.2288 5.3729 5.3729 6.9542 6.9542 7.4848 7.4848 7.7432 7.7432 8.1320 8.1320 8.4179 8.4179 k = 0.1200 0.3697 0.8699 ( 7812 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3756 -17.3756 -17.3730 -17.3730 -17.2951 -17.2951 -17.0790 -17.0790 -17.0210 -17.0210 -17.0160 -17.0160 -16.9370 -16.9370 -16.9318 -16.9318 -11.0161 -11.0161 -11.0128 -11.0128 -0.2342 -0.2342 0.0198 0.0198 0.2645 0.2645 0.4889 0.4889 0.6890 0.6890 0.7470 0.7470 0.9076 0.9076 4.5700 4.5700 5.2563 5.2563 5.3957 5.3957 6.8786 6.8786 7.4498 7.4498 7.7386 7.7386 8.0983 8.0983 8.3933 8.3933 k = 0.1100 0.3871 0.8555 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3755 -17.3755 -17.3728 -17.3728 -17.2951 -17.2951 -17.0790 -17.0790 -17.0208 -17.0208 -17.0159 -17.0159 -16.9370 -16.9370 -16.9319 -16.9319 -11.0178 -11.0178 -11.0146 -11.0146 -0.2439 -0.2439 0.0275 0.0275 0.2768 0.2768 0.4965 0.4965 0.6949 0.6949 0.7520 0.7520 0.9131 0.9131 4.5709 4.5709 5.2838 5.2838 5.4193 5.4193 6.8056 6.8056 7.4167 7.4167 7.7370 7.7370 8.0637 8.0637 8.3643 8.3644 k = 0.1000 0.4045 0.8411 ( 7808 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3754 -17.3754 -17.3726 -17.3726 -17.2952 -17.2952 -17.0789 -17.0789 -17.0206 -17.0206 -17.0157 -17.0157 -16.9370 -16.9370 -16.9319 -16.9319 -11.0195 -11.0195 -11.0162 -11.0162 -0.2534 -0.2534 0.0344 0.0344 0.2891 0.2891 0.5052 0.5052 0.6992 0.6992 0.7584 0.7584 0.9176 0.9176 4.5719 4.5719 5.3108 5.3108 5.4434 5.4434 6.7358 6.7358 7.3857 7.3857 7.7379 7.7379 8.0291 8.0291 8.3321 8.3321 k = 0.0900 0.4218 0.8267 ( 7804 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3752 -17.3752 -17.3724 -17.3724 -17.2952 -17.2952 -17.0789 -17.0789 -17.0205 -17.0205 -17.0156 -17.0156 -16.9370 -16.9370 -16.9319 -16.9319 -11.0211 -11.0211 -11.0178 -11.0178 -0.2625 -0.2625 0.0405 0.0405 0.3011 0.3011 0.5150 0.5150 0.7016 0.7016 0.7662 0.7662 0.9210 0.9210 4.5730 4.5730 5.3368 5.3368 5.4678 5.4678 6.6695 6.6695 7.3571 7.3571 7.7400 7.7400 7.9967 7.9967 8.2976 8.2976 k = 0.0800 0.4392 0.8123 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3751 -17.3751 -17.3722 -17.3722 -17.2952 -17.2952 -17.0788 -17.0788 -17.0203 -17.0203 -17.0155 -17.0155 -16.9370 -16.9370 -16.9320 -16.9320 -11.0226 -11.0226 -11.0194 -11.0194 -0.2710 -0.2710 0.0459 0.0459 0.3125 0.3125 0.5257 0.5257 0.7020 0.7020 0.7753 0.7753 0.9232 0.9232 4.5743 4.5743 5.3614 5.3614 5.4921 5.4921 6.6072 6.6072 7.3313 7.3313 7.7411 7.7411 7.9695 7.9695 8.2622 8.2622 k = 0.0700 0.4566 0.7979 ( 7806 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3750 -17.3750 -17.3720 -17.3720 -17.2952 -17.2952 -17.0788 -17.0788 -17.0202 -17.0202 -17.0154 -17.0154 -16.9370 -16.9370 -16.9320 -16.9320 -11.0239 -11.0239 -11.0208 -11.0208 -0.2788 -0.2788 0.0505 0.0505 0.3231 0.3231 0.5372 0.5372 0.7006 0.7006 0.7854 0.7854 0.9242 0.9242 4.5755 4.5755 5.3843 5.3843 5.5159 5.5159 6.5495 6.5495 7.3083 7.3083 7.7382 7.7382 7.9510 7.9510 8.2273 8.2273 k = 0.0600 0.4739 0.7835 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3749 -17.3749 -17.3718 -17.3718 -17.2953 -17.2953 -17.0787 -17.0787 -17.0200 -17.0200 -17.0153 -17.0153 -16.9370 -16.9370 -16.9320 -16.9320 -11.0252 -11.0252 -11.0220 -11.0220 -0.2858 -0.2858 0.0544 0.0544 0.3325 0.3325 0.5494 0.5494 0.6976 0.6976 0.7961 0.7961 0.9239 0.9239 4.5768 4.5768 5.4051 5.4051 5.5387 5.5387 6.4969 6.4969 7.2884 7.2884 7.7290 7.7290 7.9442 7.9442 8.1942 8.1942 k = 0.0500 0.4913 0.7691 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3748 -17.3748 -17.3717 -17.3717 -17.2953 -17.2953 -17.0787 -17.0787 -17.0199 -17.0199 -17.0152 -17.0152 -16.9370 -16.9370 -16.9321 -16.9321 -11.0263 -11.0263 -11.0231 -11.0231 -0.2919 -0.2919 0.0575 0.0575 0.3407 0.3407 0.5619 0.5619 0.6931 0.6931 0.8070 0.8070 0.9224 0.9224 4.5780 4.5780 5.4234 5.4234 5.5601 5.5601 6.4502 6.4502 7.2715 7.2715 7.7141 7.7141 7.9486 7.9486 8.1641 8.1641 k = 0.0400 0.5087 0.7547 ( 7788 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3747 -17.3747 -17.3716 -17.3716 -17.2953 -17.2953 -17.0787 -17.0787 -17.0198 -17.0198 -17.0152 -17.0152 -16.9370 -16.9370 -16.9321 -16.9321 -11.0272 -11.0272 -11.0240 -11.0240 -0.2970 -0.2970 0.0600 0.0600 0.3475 0.3475 0.5744 0.5744 0.6874 0.6874 0.8176 0.8176 0.9199 0.9199 4.5791 4.5791 5.4388 5.4388 5.5792 5.5792 6.4102 6.4102 7.2578 7.2578 7.6964 7.6964 7.9608 7.9608 8.1380 8.1380 k = 0.0300 0.5260 0.7403 ( 7804 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3747 -17.3747 -17.3715 -17.3715 -17.2953 -17.2953 -17.0787 -17.0787 -17.0198 -17.0198 -17.0151 -17.0151 -16.9370 -16.9370 -16.9321 -16.9321 -11.0279 -11.0279 -11.0248 -11.0248 -0.3010 -0.3010 0.0618 0.0618 0.3529 0.3529 0.5863 0.5863 0.6810 0.6810 0.8273 0.8273 0.9167 0.9167 4.5800 4.5800 5.4511 5.4511 5.5954 5.5954 6.3776 6.3776 7.2472 7.2472 7.6795 7.6795 7.9762 7.9762 8.1168 8.1168 k = 0.0200 0.5434 0.7259 ( 7808 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0197 -17.0197 -17.0151 -17.0151 -16.9370 -16.9370 -16.9321 -16.9321 -11.0285 -11.0285 -11.0253 -11.0253 -0.3039 -0.3039 0.0631 0.0631 0.3567 0.3567 0.5968 0.5968 0.6746 0.6746 0.8354 0.8354 0.9135 0.9135 4.5806 4.5806 5.4601 5.4601 5.6077 5.6077 6.3535 6.3535 7.2396 7.2396 7.6658 7.6658 7.9909 7.9909 8.1012 8.1012 k = 0.0100 0.5608 0.7115 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0197 -17.0197 -17.0151 -17.0151 -16.9370 -16.9370 -16.9322 -16.9322 -11.0288 -11.0288 -11.0256 -11.0256 -0.3057 -0.3057 0.0639 0.0639 0.3590 0.3590 0.6045 0.6045 0.6694 0.6694 0.8410 0.8410 0.9109 0.9109 4.5811 4.5811 5.4656 5.4656 5.6155 5.6155 6.3386 6.3386 7.2351 7.2351 7.6570 7.6570 8.0013 8.0013 8.0916 8.0916 k = 0.0000 0.5781 0.6971 ( 7818 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0197 -17.0197 -17.0151 -17.0151 -16.9370 -16.9370 -16.9322 -16.9322 -11.0289 -11.0289 -11.0257 -11.0257 -0.3063 -0.3063 0.0641 0.0641 0.3597 0.3597 0.6074 0.6074 0.6673 0.6673 0.8430 0.8430 0.9098 0.9098 4.5812 4.5812 5.4674 5.4674 5.6182 5.6182 6.3335 6.3335 7.2336 7.2336 7.6540 7.6540 8.0050 8.0050 8.0884 8.0884 k = 0.0000 0.5781 0.6971 ( 7818 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0197 -17.0197 -17.0151 -17.0151 -16.9370 -16.9370 -16.9322 -16.9322 -11.0289 -11.0289 -11.0257 -11.0257 -0.3063 -0.3063 0.0641 0.0641 0.3597 0.3597 0.6074 0.6074 0.6673 0.6673 0.8430 0.8430 0.9098 0.9098 4.5812 4.5812 5.4674 5.4674 5.6182 5.6182 6.3335 6.3335 7.2336 7.2336 7.6540 7.6540 8.0050 8.0050 8.0884 8.0884 k = 0.0214 0.5854 0.6910 ( 7816 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0197 -17.0197 -17.0151 -17.0151 -16.9370 -16.9370 -16.9322 -16.9322 -11.0291 -11.0291 -11.0256 -11.0256 -0.3064 -0.3064 0.0645 0.0645 0.3595 0.3595 0.6073 0.6073 0.6670 0.6670 0.8431 0.8431 0.9102 0.9102 4.5818 4.5818 5.4678 5.4678 5.6183 5.6183 6.3351 6.3351 7.2248 7.2248 7.6541 7.6541 8.0145 8.0145 8.0881 8.0881 k = 0.0428 0.5927 0.6850 ( 7821 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0197 -17.0197 -17.0151 -17.0151 -16.9370 -16.9370 -16.9322 -16.9322 -11.0295 -11.0295 -11.0251 -11.0251 -0.3066 -0.3066 0.0655 0.0655 0.3587 0.3587 0.6069 0.6069 0.6661 0.6661 0.8434 0.8434 0.9113 0.9113 4.5834 4.5834 5.4691 5.4691 5.6185 5.6185 6.3398 6.3398 7.1999 7.1999 7.6546 7.6546 8.0414 8.0414 8.0871 8.0871 k = 0.0642 0.6000 0.6789 ( 7817 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3746 -17.3746 -17.3714 -17.3714 -17.2954 -17.2954 -17.0786 -17.0786 -17.0196 -17.0196 -17.0151 -17.0151 -16.9369 -16.9369 -16.9322 -16.9322 -11.0302 -11.0302 -11.0246 -11.0246 -0.3070 -0.3070 0.0671 0.0671 0.3575 0.3575 0.6063 0.6063 0.6647 0.6647 0.8440 0.8440 0.9131 0.9131 4.5862 4.5862 5.4712 5.4712 5.6188 5.6188 6.3477 6.3477 7.1619 7.1619 7.6552 7.6552 8.0778 8.0778 8.0905 8.0905 k = 0.0856 0.6073 0.6729 ( 7800 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3745 -17.3745 -17.3715 -17.3715 -17.2953 -17.2953 -17.0786 -17.0786 -17.0196 -17.0196 -17.0152 -17.0152 -16.9369 -16.9369 -16.9322 -16.9322 -11.0309 -11.0309 -11.0240 -11.0240 -0.3076 -0.3076 0.0692 0.0692 0.3559 0.3559 0.6055 0.6055 0.6627 0.6627 0.8449 0.8449 0.9154 0.9154 4.5901 4.5901 5.4741 5.4741 5.6191 5.6191 6.3586 6.3586 7.1146 7.1146 7.6556 7.6556 8.0804 8.0804 8.1378 8.1378 k = 0.1070 0.6146 0.6668 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3744 -17.3744 -17.3715 -17.3715 -17.2953 -17.2953 -17.0786 -17.0786 -17.0195 -17.0195 -17.0152 -17.0152 -16.9368 -16.9368 -16.9322 -16.9322 -11.0316 -11.0316 -11.0234 -11.0234 -0.3082 -0.3082 0.0718 0.0718 0.3539 0.3539 0.6047 0.6047 0.6602 0.6602 0.8460 0.8460 0.9181 0.9181 4.5950 4.5950 5.4778 5.4778 5.6194 5.6194 6.3724 6.3724 7.0612 7.0612 7.6555 7.6555 8.0772 8.0772 8.1978 8.1978 k = 0.1284 0.6219 0.6608 ( 7793 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3744 -17.3744 -17.3716 -17.3716 -17.2953 -17.2953 -17.0786 -17.0786 -17.0194 -17.0194 -17.0152 -17.0152 -16.9368 -16.9368 -16.9322 -16.9322 -11.0323 -11.0323 -11.0228 -11.0228 -0.3089 -0.3089 0.0748 0.0748 0.3515 0.3515 0.6038 0.6038 0.6573 0.6573 0.8475 0.8475 0.9210 0.9210 4.6008 4.6008 5.4823 5.4823 5.6196 5.6196 6.3891 6.3891 7.0041 7.0041 7.6544 7.6544 8.0730 8.0730 8.2632 8.2632 k = 0.1498 0.6292 0.6547 ( 7787 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6158 -17.6158 -17.3743 -17.3743 -17.3716 -17.3716 -17.2953 -17.2953 -17.0786 -17.0786 -17.0194 -17.0194 -17.0153 -17.0153 -16.9367 -16.9367 -16.9322 -16.9322 -11.0331 -11.0331 -11.0222 -11.0222 -0.3096 -0.3096 0.0779 0.0779 0.3489 0.3489 0.6032 0.6032 0.6540 0.6540 0.8493 0.8493 0.9240 0.9240 4.6076 4.6076 5.4875 5.4875 5.6195 5.6195 6.4085 6.4085 6.9453 6.9453 7.6520 7.6520 8.0683 8.0683 8.3318 8.3318 k = 0.1712 0.6365 0.6487 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3742 -17.3742 -17.3717 -17.3717 -17.2952 -17.2952 -17.0786 -17.0786 -17.0193 -17.0193 -17.0154 -17.0154 -16.9366 -16.9366 -16.9323 -16.9323 -11.0338 -11.0338 -11.0217 -11.0217 -0.3102 -0.3102 0.0812 0.0812 0.3461 0.3461 0.6027 0.6027 0.6504 0.6504 0.8513 0.8513 0.9270 0.9270 4.6152 4.6152 5.4934 5.4934 5.6191 5.6191 6.4303 6.4303 6.8864 6.8864 7.6480 7.6480 8.0633 8.0633 8.4016 8.4018 k = 0.1926 0.6438 0.6426 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3741 -17.3741 -17.3718 -17.3718 -17.2952 -17.2952 -17.0786 -17.0786 -17.0192 -17.0192 -17.0154 -17.0154 -16.9366 -16.9366 -16.9323 -16.9323 -11.0345 -11.0345 -11.0212 -11.0212 -0.3108 -0.3108 0.0843 0.0843 0.3432 0.3432 0.6025 0.6025 0.6467 0.6467 0.8536 0.8536 0.9299 0.9299 4.6235 4.6235 5.4998 5.4998 5.6181 5.6181 6.4543 6.4543 6.8286 6.8286 7.6422 7.6422 8.0581 8.0581 8.4525 8.4527 k = 0.2140 0.6511 0.6365 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3740 -17.3740 -17.3719 -17.3719 -17.2952 -17.2952 -17.0786 -17.0786 -17.0191 -17.0191 -17.0155 -17.0155 -16.9365 -16.9365 -16.9323 -16.9323 -11.0352 -11.0352 -11.0208 -11.0208 -0.3112 -0.3112 0.0873 0.0873 0.3404 0.3404 0.6027 0.6027 0.6429 0.6429 0.8560 0.8560 0.9325 0.9325 4.6324 4.6324 5.5067 5.5067 5.6166 5.6166 6.4798 6.4798 6.7733 6.7733 7.6345 7.6345 8.0529 8.0529 8.4385 8.4385 k = 0.2354 0.6584 0.6305 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3739 -17.3739 -17.3719 -17.3719 -17.2952 -17.2952 -17.0786 -17.0786 -17.0191 -17.0191 -17.0156 -17.0156 -16.9364 -16.9364 -16.9323 -16.9323 -11.0359 -11.0359 -11.0203 -11.0203 -0.3115 -0.3115 0.0900 0.0900 0.3376 0.3376 0.6033 0.6033 0.6391 0.6391 0.8585 0.8585 0.9348 0.9348 4.6417 4.6417 5.5138 5.5138 5.6144 5.6144 6.5054 6.5054 6.7225 6.7225 7.6252 7.6252 8.0480 8.0480 8.4210 8.4210 k = 0.2568 0.6657 0.6244 ( 7798 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6158 -17.6158 -17.3739 -17.3739 -17.3720 -17.3720 -17.2951 -17.2951 -17.0786 -17.0786 -17.0190 -17.0190 -17.0156 -17.0156 -16.9363 -16.9363 -16.9323 -16.9323 -11.0366 -11.0366 -11.0200 -11.0200 -0.3115 -0.3115 0.0923 0.0923 0.3350 0.3350 0.6043 0.6043 0.6355 0.6355 0.8611 0.8611 0.9368 0.9368 4.6512 4.6512 5.5208 5.5208 5.6115 5.6115 6.5278 6.5278 6.6802 6.6802 7.6148 7.6148 8.0436 8.0436 8.4037 8.4037 k = 0.2782 0.6730 0.6184 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3738 -17.3738 -17.3721 -17.3721 -17.2951 -17.2951 -17.0787 -17.0787 -17.0189 -17.0189 -17.0157 -17.0157 -16.9362 -16.9362 -16.9323 -16.9323 -11.0373 -11.0373 -11.0196 -11.0196 -0.3114 -0.3114 0.0941 0.0941 0.3326 0.3326 0.6056 0.6056 0.6323 0.6323 0.8635 0.8635 0.9384 0.9384 4.6608 4.6608 5.5276 5.5276 5.6077 5.6077 6.5374 6.5374 6.6565 6.6565 7.6036 7.6036 8.0398 8.0398 8.3872 8.3872 k = 0.2782 0.6730 0.6184 ( 7796 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3738 -17.3738 -17.3721 -17.3721 -17.2951 -17.2951 -17.0787 -17.0787 -17.0189 -17.0189 -17.0157 -17.0157 -16.9362 -16.9362 -16.9323 -16.9323 -11.0373 -11.0373 -11.0196 -11.0196 -0.3114 -0.3114 0.0941 0.0941 0.3326 0.3326 0.6056 0.6056 0.6323 0.6323 0.8635 0.8635 0.9384 0.9384 4.6608 4.6608 5.5276 5.5276 5.6077 5.6077 6.5374 6.5374 6.6565 6.6565 7.6036 7.6036 8.0398 8.0398 8.3872 8.3872 k = 0.2854 0.6606 0.5984 ( 7808 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1111 -36.1111 -17.6157 -17.6157 -17.3736 -17.3736 -17.3722 -17.3722 -17.2950 -17.2950 -17.0787 -17.0787 -17.0187 -17.0187 -17.0158 -17.0158 -16.9360 -16.9360 -16.9323 -16.9323 -11.0396 -11.0396 -11.0187 -11.0187 -0.3105 -0.3105 0.0996 0.0996 0.3251 0.3251 0.6069 0.6069 0.6263 0.6263 0.8708 0.8708 0.9439 0.9439 4.6944 4.6944 5.5486 5.5486 5.5914 5.5914 6.5333 6.5333 6.6278 6.6278 7.5689 7.5689 8.0232 8.0232 8.3348 8.3348 k = 0.2925 0.6482 0.5785 ( 7800 PWs) bands (ev): -36.3436 -36.3436 -36.1117 -36.1117 -36.1112 -36.1112 -17.6155 -17.6155 -17.3734 -17.3734 -17.3723 -17.3723 -17.2948 -17.2948 -17.0787 -17.0787 -17.0185 -17.0185 -17.0159 -17.0159 -16.9357 -16.9357 -16.9322 -16.9322 -11.0419 -11.0419 -11.0180 -11.0180 -0.3097 -0.3097 0.1059 0.1059 0.3177 0.3177 0.5995 0.5995 0.6299 0.6299 0.8771 0.8771 0.9507 0.9507 4.7320 4.7320 5.5668 5.5668 5.5716 5.5716 6.5331 6.5331 6.6041 6.6041 7.5390 7.5390 7.9953 7.9953 8.2857 8.2857 k = 0.2997 0.6358 0.5585 ( 7828 PWs) bands (ev): -36.3437 -36.3437 -36.1117 -36.1117 -36.1112 -36.1112 -17.6154 -17.6154 -17.3733 -17.3733 -17.3724 -17.3724 -17.2947 -17.2947 -17.0788 -17.0788 -17.0184 -17.0184 -17.0161 -17.0161 -16.9353 -16.9353 -16.9321 -16.9321 -11.0443 -11.0443 -11.0175 -11.0175 -0.3094 -0.3094 0.1129 0.1129 0.3109 0.3109 0.5886 0.5886 0.6379 0.6379 0.8827 0.8827 0.9586 0.9586 4.7734 4.7734 5.5437 5.5437 5.5865 5.5865 6.5365 6.5365 6.5859 6.5859 7.5141 7.5141 7.9549 7.9549 8.2425 8.2425 k = 0.3068 0.6234 0.5386 ( 7818 PWs) bands (ev): -36.3437 -36.3437 -36.1117 -36.1117 -36.1112 -36.1112 -17.6153 -17.6153 -17.3732 -17.3732 -17.3724 -17.3724 -17.2944 -17.2944 -17.0788 -17.0788 -17.0182 -17.0182 -17.0162 -17.0162 -16.9350 -16.9350 -16.9319 -16.9319 -11.0467 -11.0467 -11.0173 -11.0173 -0.3099 -0.3099 0.1202 0.1202 0.3056 0.3056 0.5774 0.5774 0.6472 0.6472 0.8876 0.8876 0.9672 0.9672 4.8183 4.8183 5.5132 5.5132 5.6017 5.6017 6.5437 6.5437 6.5740 6.5740 7.4940 7.4940 7.9029 7.9029 8.2059 8.2059 k = 0.3140 0.6109 0.5186 ( 7806 PWs) bands (ev): -36.3437 -36.3437 -36.1117 -36.1117 -36.1113 -36.1113 -17.6151 -17.6151 -17.3731 -17.3731 -17.3723 -17.3723 -17.2942 -17.2942 -17.0789 -17.0789 -17.0180 -17.0180 -17.0162 -17.0162 -16.9346 -16.9346 -16.9316 -16.9316 -11.0491 -11.0491 -11.0173 -11.0173 -0.3116 -0.3116 0.1277 0.1277 0.3023 0.3023 0.5665 0.5665 0.6571 0.6571 0.8923 0.8923 0.9762 0.9762 4.8664 4.8664 5.4786 5.4786 5.6139 5.6139 6.5547 6.5547 6.5690 6.5690 7.4783 7.4783 7.8418 7.8418 8.1742 8.1742 k = 0.3212 0.5985 0.4987 ( 7806 PWs) bands (ev): -36.3437 -36.3437 -36.1117 -36.1117 -36.1113 -36.1113 -17.6149 -17.6149 -17.3730 -17.3730 -17.3722 -17.3722 -17.2940 -17.2940 -17.0789 -17.0789 -17.0178 -17.0178 -17.0163 -17.0163 -16.9342 -16.9342 -16.9314 -16.9314 -11.0515 -11.0515 -11.0175 -11.0175 -0.3146 -0.3146 0.1351 0.1351 0.3015 0.3015 0.5564 0.5564 0.6673 0.6673 0.8968 0.8968 0.9855 0.9855 4.9174 4.9174 5.4404 5.4404 5.6224 5.6224 6.5693 6.5693 6.5712 6.5712 7.4667 7.4667 7.7744 7.7744 8.1455 8.1455 k = 0.3283 0.5861 0.4787 ( 7784 PWs) bands (ev): -36.3437 -36.3437 -36.1117 -36.1117 -36.1113 -36.1113 -17.6147 -17.6147 -17.3730 -17.3730 -17.3720 -17.3720 -17.2937 -17.2937 -17.0789 -17.0789 -17.0176 -17.0176 -17.0164 -17.0164 -16.9337 -16.9337 -16.9311 -16.9311 -11.0540 -11.0540 -11.0178 -11.0178 -0.3194 -0.3194 0.1421 0.1421 0.3038 0.3038 0.5474 0.5474 0.6777 0.6777 0.9014 0.9014 0.9947 0.9947 4.9709 4.9709 5.3991 5.3991 5.6272 5.6272 6.5811 6.5811 6.5876 6.5876 7.4588 7.4588 7.7031 7.7031 8.1181 8.1181 k = 0.3355 0.5737 0.4588 ( 7800 PWs) bands (ev): -36.3438 -36.3438 -36.1117 -36.1117 -36.1114 -36.1114 -17.6145 -17.6145 -17.3731 -17.3731 -17.3718 -17.3718 -17.2934 -17.2934 -17.0790 -17.0790 -17.0174 -17.0174 -17.0164 -17.0164 -16.9332 -16.9332 -16.9308 -16.9308 -11.0564 -11.0564 -11.0184 -11.0184 -0.3260 -0.3260 0.1487 0.1487 0.3091 0.3091 0.5396 0.5396 0.6879 0.6879 0.9061 0.9061 1.0039 1.0039 5.0266 5.0266 5.3553 5.3553 5.6280 5.6280 6.5985 6.5985 6.6095 6.6095 7.4539 7.4539 7.6297 7.6297 8.0905 8.0906 k = 0.3426 0.5612 0.4388 ( 7804 PWs) bands (ev): -36.3438 -36.3438 -36.1117 -36.1117 -36.1114 -36.1114 -17.6143 -17.6143 -17.3731 -17.3731 -17.3716 -17.3716 -17.2931 -17.2931 -17.0790 -17.0790 -17.0173 -17.0173 -17.0165 -17.0165 -16.9328 -16.9328 -16.9305 -16.9305 -11.0588 -11.0588 -11.0191 -11.0191 -0.3345 -0.3345 0.1548 0.1548 0.3174 0.3174 0.5335 0.5335 0.6981 0.6981 0.9111 0.9111 1.0128 1.0128 5.0843 5.0843 5.3095 5.3095 5.6251 5.6251 6.6233 6.6233 6.6350 6.6350 7.4516 7.4516 7.5554 7.5554 8.0622 8.0622 k = 0.3498 0.5488 0.4189 ( 7802 PWs) bands (ev): -36.3438 -36.3438 -36.1117 -36.1117 -36.1114 -36.1114 -17.6141 -17.6141 -17.3732 -17.3732 -17.3714 -17.3714 -17.2928 -17.2928 -17.0791 -17.0791 -17.0171 -17.0171 -17.0165 -17.0165 -16.9323 -16.9323 -16.9302 -16.9302 -11.0612 -11.0612 -11.0200 -11.0200 -0.3449 -0.3449 0.1605 0.1605 0.3284 0.3284 0.5293 0.5293 0.7081 0.7081 0.9163 0.9163 1.0215 1.0215 5.1433 5.1433 5.2623 5.2623 5.6189 5.6189 6.6551 6.6551 6.6639 6.6639 7.4512 7.4512 7.4812 7.4812 8.0324 8.0324 k = 0.3569 0.5364 0.3990 ( 7798 PWs) bands (ev): -36.3438 -36.3438 -36.1117 -36.1117 -36.1115 -36.1115 -17.6138 -17.6138 -17.3732 -17.3732 -17.3711 -17.3711 -17.2925 -17.2925 -17.0791 -17.0791 -17.0170 -17.0170 -17.0165 -17.0165 -16.9318 -16.9318 -16.9298 -16.9298 -11.0636 -11.0636 -11.0210 -11.0210 -0.3571 -0.3571 0.1656 0.1656 0.3416 0.3416 0.5271 0.5271 0.7179 0.7179 0.9218 0.9218 1.0298 1.0298 5.2004 5.2004 5.2175 5.2175 5.6097 5.6097 6.6934 6.6934 6.6961 6.6961 7.4070 7.4070 7.4529 7.4529 8.0007 8.0007 k = 0.3641 0.5240 0.3790 ( 7804 PWs) bands (ev): -36.3439 -36.3439 -36.1118 -36.1118 -36.1115 -36.1115 -17.6136 -17.6136 -17.3732 -17.3732 -17.3709 -17.3709 -17.2922 -17.2922 -17.0792 -17.0792 -17.0169 -17.0169 -17.0165 -17.0165 -16.9313 -16.9313 -16.9294 -16.9294 -11.0659 -11.0659 -11.0221 -11.0221 -0.3708 -0.3708 0.1701 0.1701 0.3567 0.3567 0.5274 0.5274 0.7274 0.7274 0.9275 0.9275 1.0378 1.0378 5.1644 5.1644 5.2660 5.2660 5.5982 5.5982 6.7316 6.7316 6.7376 6.7376 7.3341 7.3341 7.4552 7.4552 7.9667 7.9667 k = 0.3712 0.5115 0.3591 ( 7816 PWs) bands (ev): -36.3439 -36.3439 -36.1118 -36.1118 -36.1116 -36.1116 -17.6134 -17.6134 -17.3733 -17.3733 -17.3707 -17.3707 -17.2919 -17.2919 -17.0793 -17.0793 -17.0167 -17.0167 -17.0165 -17.0165 -16.9309 -16.9309 -16.9290 -16.9290 -11.0682 -11.0682 -11.0233 -11.0233 -0.3858 -0.3858 0.1739 0.1739 0.3730 0.3730 0.5301 0.5301 0.7368 0.7368 0.9335 0.9335 1.0454 1.0454 5.1159 5.1159 5.3276 5.3276 5.5849 5.5849 6.7702 6.7702 6.7870 6.7870 7.2623 7.2623 7.4581 7.4581 7.9302 7.9302 k = 0.3784 0.4991 0.3391 ( 7816 PWs) bands (ev): -36.3439 -36.3439 -36.1118 -36.1118 -36.1116 -36.1116 -17.6132 -17.6132 -17.3733 -17.3733 -17.3705 -17.3705 -17.2915 -17.2915 -17.0793 -17.0793 -17.0167 -17.0167 -17.0165 -17.0165 -16.9304 -16.9304 -16.9286 -16.9286 -11.0704 -11.0704 -11.0245 -11.0245 -0.4018 -0.4018 0.1768 0.1768 0.3903 0.3903 0.5353 0.5353 0.7459 0.7459 0.9396 0.9396 1.0528 1.0528 5.0676 5.0676 5.3896 5.3896 5.5704 5.5704 6.8118 6.8118 6.8411 6.8411 7.1920 7.1920 7.4613 7.4613 7.8911 7.8911 k = 0.3855 0.4867 0.3192 ( 7816 PWs) bands (ev): -36.3439 -36.3439 -36.1118 -36.1118 -36.1116 -36.1116 -17.6129 -17.6129 -17.3733 -17.3733 -17.3703 -17.3703 -17.2912 -17.2912 -17.0794 -17.0794 -17.0166 -17.0166 -17.0164 -17.0164 -16.9299 -16.9299 -16.9282 -16.9282 -11.0725 -11.0725 -11.0259 -11.0259 -0.4184 -0.4184 0.1787 0.1787 0.4081 0.4081 0.5428 0.5428 0.7550 0.7550 0.9459 0.9459 1.0598 1.0598 5.0201 5.0201 5.4513 5.4513 5.5552 5.5552 6.8564 6.8564 6.8994 6.8994 7.1232 7.1232 7.4644 7.4644 7.8495 7.8495 k = 0.3927 0.4743 0.2992 ( 7818 PWs) bands (ev): -36.3440 -36.3440 -36.1118 -36.1118 -36.1117 -36.1117 -17.6127 -17.6127 -17.3734 -17.3734 -17.3701 -17.3701 -17.2909 -17.2909 -17.0794 -17.0794 -17.0166 -17.0166 -17.0164 -17.0164 -16.9294 -16.9294 -16.9277 -16.9277 -11.0746 -11.0746 -11.0272 -11.0272 -0.4354 -0.4354 0.1796 0.1796 0.4263 0.4263 0.5524 0.5524 0.7641 0.7641 0.9523 0.9523 1.0665 1.0665 4.9736 4.9736 5.5114 5.5114 5.5407 5.5407 6.9035 6.9035 6.9612 6.9612 7.0563 7.0563 7.4672 7.4672 7.8055 7.8055 k = 0.3998 0.4618 0.2793 ( 7820 PWs) bands (ev): -36.3440 -36.3440 -36.1118 -36.1118 -36.1117 -36.1117 -17.6125 -17.6125 -17.3734 -17.3734 -17.3699 -17.3699 -17.2905 -17.2905 -17.0795 -17.0795 -17.0166 -17.0166 -17.0163 -17.0163 -16.9289 -16.9289 -16.9273 -16.9273 -11.0766 -11.0766 -11.0286 -11.0286 -0.4524 -0.4524 0.1795 0.1795 0.4445 0.4445 0.5636 0.5636 0.7734 0.7734 0.9586 0.9586 1.0729 1.0729 4.9286 4.9286 5.5217 5.5217 5.5752 5.5752 6.9532 6.9532 6.9907 6.9907 7.0266 7.0266 7.4694 7.4694 7.7599 7.7599 k = 0.4070 0.4494 0.2593 ( 7816 PWs) bands (ev): -36.3440 -36.3440 -36.1118 -36.1118 -36.1117 -36.1117 -17.6123 -17.6123 -17.3734 -17.3734 -17.3697 -17.3697 -17.2902 -17.2902 -17.0795 -17.0795 -17.0166 -17.0166 -17.0162 -17.0162 -16.9285 -16.9285 -16.9269 -16.9269 -11.0785 -11.0785 -11.0300 -11.0300 -0.4692 -0.4692 0.1785 0.1785 0.4627 0.4627 0.5757 0.5757 0.7828 0.7828 0.9648 0.9648 1.0791 1.0791 4.8853 4.8853 5.5066 5.5066 5.6344 5.6344 6.9275 6.9275 7.0053 7.0053 7.0941 7.0941 7.4710 7.4710 7.7131 7.7131 k = 0.4142 0.4370 0.2394 ( 7804 PWs) bands (ev): -36.3440 -36.3440 -36.1118 -36.1118 -36.1118 -36.1118 -17.6121 -17.6121 -17.3734 -17.3734 -17.3695 -17.3695 -17.2899 -17.2899 -17.0795 -17.0795 -17.0166 -17.0166 -17.0161 -17.0161 -16.9280 -16.9280 -16.9265 -16.9265 -11.0802 -11.0802 -11.0313 -11.0313 -0.4856 -0.4856 0.1768 0.1768 0.4805 0.4805 0.5882 0.5882 0.7927 0.7927 0.9708 0.9708 1.0850 1.0850 4.8441 4.8441 5.4914 5.4914 5.6927 5.6927 6.8662 6.8662 7.0595 7.0595 7.1643 7.1643 7.4720 7.4720 7.6660 7.6660 k = 0.4213 0.4246 0.2194 ( 7816 PWs) bands (ev): -36.3441 -36.3441 -36.1119 -36.1119 -36.1118 -36.1118 -17.6119 -17.6119 -17.3734 -17.3734 -17.3693 -17.3693 -17.2896 -17.2896 -17.0796 -17.0796 -17.0166 -17.0166 -17.0160 -17.0160 -16.9276 -16.9276 -16.9262 -16.9262 -11.0819 -11.0819 -11.0326 -11.0326 -0.5014 -0.5014 0.1746 0.1746 0.4980 0.4980 0.6003 0.6003 0.8031 0.8031 0.9765 0.9765 1.0907 1.0907 4.8051 4.8051 5.4769 5.4769 5.7495 5.7495 6.8069 6.8069 7.1155 7.1155 7.2366 7.2366 7.4722 7.4722 7.6194 7.6194 k = 0.4285 0.4121 0.1995 ( 7812 PWs) bands (ev): -36.3441 -36.3441 -36.1119 -36.1119 -36.1118 -36.1118 -17.6117 -17.6117 -17.3734 -17.3734 -17.3692 -17.3692 -17.2894 -17.2894 -17.0796 -17.0796 -17.0166 -17.0166 -17.0160 -17.0160 -16.9272 -16.9272 -16.9258 -16.9258 -11.0835 -11.0835 -11.0339 -11.0339 -0.5163 -0.5163 0.1719 0.1719 0.5150 0.5150 0.6117 0.6117 0.8139 0.8139 0.9819 0.9819 1.0961 1.0961 4.7687 4.7687 5.4631 5.4631 5.8047 5.8047 6.7496 6.7496 7.1731 7.1731 7.3105 7.3105 7.4718 7.4718 7.5742 7.5742 k = 0.4356 0.3997 0.1795 ( 7812 PWs) bands (ev): -36.3441 -36.3441 -36.1119 -36.1119 -36.1119 -36.1119 -17.6115 -17.6115 -17.3734 -17.3734 -17.3690 -17.3690 -17.2891 -17.2891 -17.0796 -17.0796 -17.0166 -17.0166 -17.0159 -17.0159 -16.9268 -16.9268 -16.9255 -16.9255 -11.0849 -11.0849 -11.0351 -11.0351 -0.5302 -0.5302 0.1690 0.1690 0.5313 0.5313 0.6217 0.6217 0.8253 0.8253 0.9867 0.9867 1.1012 1.1012 4.7349 4.7349 5.4503 5.4503 5.8580 5.8580 6.6945 6.6945 7.2319 7.2319 7.3858 7.3858 7.4709 7.4709 7.5311 7.5311 k = 0.4428 0.3873 0.1596 ( 7824 PWs) bands (ev): -36.3441 -36.3441 -36.1119 -36.1119 -36.1119 -36.1119 -17.6114 -17.6114 -17.3734 -17.3734 -17.3689 -17.3689 -17.2889 -17.2889 -17.0797 -17.0797 -17.0166 -17.0166 -17.0159 -17.0159 -16.9265 -16.9265 -16.9252 -16.9252 -11.0862 -11.0862 -11.0362 -11.0362 -0.5430 -0.5430 0.1661 0.1661 0.5468 0.5468 0.6300 0.6300 0.8369 0.8369 0.9911 0.9911 1.1060 1.1060 4.7041 4.7041 5.4386 5.4386 5.9093 5.9093 6.6415 6.6415 7.2915 7.2915 7.4601 7.4601 7.4713 7.4713 7.4914 7.4914 k = 0.4499 0.3749 0.1396 ( 7828 PWs) bands (ev): -36.3441 -36.3441 -36.1119 -36.1119 -36.1119 -36.1119 -17.6113 -17.6113 -17.3734 -17.3734 -17.3688 -17.3688 -17.2887 -17.2887 -17.0797 -17.0797 -17.0166 -17.0166 -17.0158 -17.0158 -16.9262 -16.9262 -16.9249 -16.9249 -11.0874 -11.0874 -11.0372 -11.0372 -0.5546 -0.5546 0.1632 0.1632 0.5614 0.5614 0.6366 0.6366 0.8486 0.8486 0.9948 0.9948 1.1105 1.1105 4.6765 4.6765 5.4281 5.4281 5.9586 5.9586 6.5906 6.5906 7.3512 7.3512 7.4540 7.4540 7.4672 7.4672 7.5408 7.5408 k = 0.4571 0.3624 0.1197 ( 7828 PWs) bands (ev): -36.3441 -36.3441 -36.1119 -36.1119 -36.1119 -36.1119 -17.6112 -17.6112 -17.3734 -17.3734 -17.3687 -17.3687 -17.2885 -17.2885 -17.0797 -17.0797 -17.0166 -17.0166 -17.0158 -17.0158 -16.9259 -16.9259 -16.9246 -16.9246 -11.0884 -11.0884 -11.0381 -11.0381 -0.5648 -0.5648 0.1605 0.1605 0.5751 0.5751 0.6412 0.6412 0.8600 0.8600 0.9979 0.9979 1.1146 1.1146 4.6522 4.6522 5.4188 5.4188 6.0058 6.0058 6.5420 6.5420 7.4072 7.4072 7.4249 7.4249 7.4654 7.4654 7.6187 7.6187 k = 0.4642 0.3500 0.0997 ( 7816 PWs) bands (ev): -36.3442 -36.3442 -36.1119 -36.1119 -36.1119 -36.1119 -17.6110 -17.6110 -17.3734 -17.3734 -17.3686 -17.3686 -17.2883 -17.2883 -17.0797 -17.0797 -17.0166 -17.0166 -17.0158 -17.0158 -16.9256 -16.9256 -16.9244 -16.9244 -11.0892 -11.0892 -11.0389 -11.0389 -0.5736 -0.5736 0.1580 0.1580 0.5878 0.5878 0.6441 0.6441 0.8707 0.8707 1.0004 1.0004 1.1182 1.1182 4.6313 4.6313 5.4109 5.4109 6.0510 6.0510 6.4955 6.4955 7.3914 7.3914 7.4635 7.4635 7.4704 7.4704 7.6970 7.6970 k = 0.4714 0.3376 0.0798 ( 7802 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6109 -17.6109 -17.3734 -17.3734 -17.3685 -17.3685 -17.2881 -17.2881 -17.0797 -17.0797 -17.0166 -17.0166 -17.0157 -17.0157 -16.9254 -16.9254 -16.9242 -16.9242 -11.0899 -11.0899 -11.0396 -11.0396 -0.5809 -0.5809 0.1559 0.1559 0.5993 0.5993 0.6451 0.6451 0.8801 0.8801 1.0022 1.0022 1.1213 1.1213 4.6140 4.6140 5.4043 5.4043 6.0942 6.0942 6.4513 6.4513 7.3680 7.3680 7.4618 7.4618 7.5255 7.5255 7.7753 7.7753 k = 0.4785 0.3252 0.0598 ( 7800 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6109 -17.6109 -17.3734 -17.3734 -17.3684 -17.3684 -17.2880 -17.2880 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9252 -16.9252 -16.9241 -16.9241 -11.0905 -11.0905 -11.0401 -11.0401 -0.5866 -0.5866 0.1542 0.1542 0.6096 0.6096 0.6445 0.6445 0.8881 0.8881 1.0036 1.0036 1.1238 1.1238 4.6004 4.6004 5.3992 5.3992 6.1350 6.1350 6.4095 6.4095 7.3494 7.3494 7.4603 7.4603 7.5759 7.5759 7.8529 7.8529 k = 0.4857 0.3128 0.0399 ( 7808 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2880 -17.2880 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9251 -16.9251 -16.9240 -16.9240 -11.0909 -11.0909 -11.0404 -11.0404 -0.5907 -0.5907 0.1530 0.1530 0.6187 0.6187 0.6423 0.6423 0.8940 0.8940 1.0044 1.0044 1.1256 1.1256 4.5907 4.5907 5.3955 5.3955 6.1727 6.1727 6.3710 6.3710 7.3359 7.3359 7.4591 7.4591 7.6178 7.6178 7.9289 7.9289 k = 0.4928 0.3003 0.0199 ( 7816 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2879 -17.2879 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9251 -16.9251 -16.9239 -16.9239 -11.0912 -11.0912 -11.0407 -11.0407 -0.5932 -0.5932 0.1522 0.1522 0.6265 0.6265 0.6387 0.6387 0.8977 0.8977 1.0049 1.0049 1.1267 1.1267 4.5848 4.5848 5.3932 5.3932 6.2042 6.2042 6.3392 6.3392 7.3278 7.3278 7.4584 7.4584 7.6466 7.6466 7.9998 7.9998 k = 0.5000 0.2879 0.0000 ( 7808 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2879 -17.2879 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9250 -16.9250 -16.9239 -16.9239 -11.0912 -11.0912 -11.0407 -11.0407 -0.5940 -0.5940 0.1520 0.1520 0.6317 0.6317 0.6349 0.6349 0.8990 0.8990 1.0050 1.0050 1.1271 1.1271 4.5829 4.5829 5.3925 5.3925 6.2185 6.2185 6.3247 6.3247 7.3250 7.3250 7.4581 7.4581 7.6570 7.6570 8.0413 8.0413 k = 0.5000 0.2879 0.0000 ( 7808 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2879 -17.2879 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9250 -16.9250 -16.9239 -16.9239 -11.0912 -11.0912 -11.0407 -11.0407 -0.5940 -0.5940 0.1520 0.1520 0.6317 0.6317 0.6349 0.6349 0.8990 0.8990 1.0050 1.0050 1.1271 1.1271 4.5829 4.5829 5.3925 5.3925 6.2185 6.2185 6.3247 6.3247 7.3250 7.3250 7.4581 7.4581 7.6570 7.6570 8.0413 8.0419 k = 0.4792 0.2759 0.0000 ( 7790 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3683 -17.3683 -17.2879 -17.2879 -17.0798 -17.0798 -17.0169 -17.0169 -17.0154 -17.0154 -16.9251 -16.9251 -16.9238 -16.9238 -11.0915 -11.0915 -11.0404 -11.0404 -0.5930 -0.5930 0.1519 0.1519 0.6162 0.6162 0.6486 0.6486 0.8971 0.8971 1.0072 1.0072 1.1272 1.1272 4.5828 4.5828 5.3925 5.3925 6.2190 6.2190 6.3275 6.3275 7.3239 7.3239 7.4603 7.4603 7.6570 7.6570 8.0301 8.0302 k = 0.4583 0.2639 0.0000 ( 7802 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1118 -36.1118 -17.6108 -17.6108 -17.3735 -17.3735 -17.3683 -17.3683 -17.2879 -17.2879 -17.0798 -17.0798 -17.0173 -17.0173 -17.0149 -17.0149 -16.9253 -16.9253 -16.9236 -16.9236 -11.0924 -11.0924 -11.0396 -11.0396 -0.5900 -0.5900 0.1515 0.1515 0.5978 0.5978 0.6619 0.6619 0.8920 0.8920 1.0132 1.0132 1.1274 1.1274 4.5826 4.5826 5.3925 5.3925 6.2205 6.2205 6.3355 6.3355 7.3200 7.3200 7.4672 7.4672 7.6570 7.6570 8.0057 8.0057 k = 0.4375 0.2519 0.0000 ( 7790 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1118 -36.1118 -17.6108 -17.6108 -17.3736 -17.3736 -17.3681 -17.3681 -17.2879 -17.2879 -17.0798 -17.0798 -17.0178 -17.0178 -17.0144 -17.0144 -16.9256 -16.9256 -16.9233 -16.9233 -11.0938 -11.0938 -11.0382 -11.0382 -0.5851 -0.5851 0.1508 0.1508 0.5781 0.5781 0.6733 0.6733 0.8848 0.8848 1.0216 1.0216 1.1279 1.1279 4.5827 4.5827 5.3925 5.3925 6.2230 6.2230 6.3485 6.3485 7.3121 7.3121 7.4802 7.4802 7.6572 7.6572 7.9773 7.9773 k = 0.4167 0.2399 0.0000 ( 7794 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6108 -17.6108 -17.3737 -17.3737 -17.3680 -17.3680 -17.2879 -17.2879 -17.0798 -17.0798 -17.0183 -17.0183 -17.0139 -17.0139 -16.9259 -16.9259 -16.9230 -16.9230 -11.0955 -11.0955 -11.0365 -11.0365 -0.5783 -0.5783 0.1498 0.1498 0.5576 0.5576 0.6826 0.6826 0.8764 0.8764 1.0312 1.0312 1.1287 1.1287 4.5835 4.5835 5.3924 5.3924 6.2265 6.2265 6.3657 6.3657 7.2994 7.2994 7.5006 7.5006 7.6575 7.6575 7.9481 7.9481 k = 0.3958 0.2279 0.0000 ( 7796 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6108 -17.6108 -17.3739 -17.3739 -17.3678 -17.3678 -17.2879 -17.2879 -17.0798 -17.0798 -17.0188 -17.0188 -17.0134 -17.0134 -16.9262 -16.9262 -16.9227 -16.9227 -11.0976 -11.0976 -11.0344 -11.0344 -0.5696 -0.5696 0.1485 0.1485 0.5366 0.5366 0.6900 0.6900 0.8677 0.8677 1.0407 1.0407 1.1299 1.1299 4.5855 4.5855 5.3923 5.3923 6.2310 6.2310 6.3863 6.3863 7.2821 7.2821 7.5284 7.5284 7.6580 7.6580 7.9193 7.9193 k = 0.3750 0.2159 0.0000 ( 7806 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6108 -17.6108 -17.3741 -17.3741 -17.3676 -17.3676 -17.2879 -17.2879 -17.0798 -17.0798 -17.0193 -17.0193 -17.0129 -17.0129 -16.9265 -16.9265 -16.9225 -16.9225 -11.1000 -11.1000 -11.0321 -11.0321 -0.5592 -0.5592 0.1466 0.1466 0.5157 0.5157 0.6954 0.6954 0.8590 0.8590 1.0494 1.0494 1.1314 1.1314 4.5894 4.5894 5.3923 5.3923 6.2364 6.2364 6.4093 6.4093 7.2609 7.2609 7.5631 7.5631 7.6587 7.6587 7.8912 7.8912 k = 0.3542 0.2039 0.0000 ( 7807 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6108 -17.6108 -17.3743 -17.3743 -17.3674 -17.3674 -17.2880 -17.2880 -17.0798 -17.0798 -17.0198 -17.0198 -17.0124 -17.0124 -16.9268 -16.9268 -16.9222 -16.9222 -11.1024 -11.1024 -11.0296 -11.0296 -0.5472 -0.5472 0.1443 0.1443 0.4951 0.4951 0.6989 0.6989 0.8507 0.8507 1.0565 1.0565 1.1334 1.1334 4.5958 4.5958 5.3922 5.3922 6.2427 6.2427 6.4332 6.4332 7.2373 7.2373 7.6037 7.6037 7.6599 7.6599 7.8641 7.8641 k = 0.3333 0.1919 0.0000 ( 7815 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6108 -17.6108 -17.3745 -17.3745 -17.3672 -17.3672 -17.2880 -17.2880 -17.0799 -17.0799 -17.0203 -17.0203 -17.0119 -17.0119 -16.9271 -16.9271 -16.9219 -16.9219 -11.1050 -11.1050 -11.0271 -11.0271 -0.5336 -0.5336 0.1413 0.1413 0.4755 0.4755 0.7005 0.7005 0.8428 0.8428 1.0616 1.0616 1.1359 1.1359 4.6053 4.6053 5.3921 5.3921 6.2499 6.2499 6.4565 6.4565 7.2129 7.2129 7.6483 7.6483 7.6621 7.6621 7.8382 7.8382 k = 0.3125 0.1799 0.0000 ( 7823 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6109 -17.6109 -17.3747 -17.3747 -17.3670 -17.3670 -17.2880 -17.2880 -17.0799 -17.0799 -17.0208 -17.0208 -17.0114 -17.0114 -16.9273 -16.9273 -16.9216 -16.9216 -11.1075 -11.1075 -11.0246 -11.0246 -0.5187 -0.5187 0.1376 0.1376 0.4571 0.4571 0.7004 0.7004 0.8355 0.8355 1.0647 1.0647 1.1388 1.1388 4.6184 4.6184 5.3919 5.3919 6.2579 6.2579 6.4773 6.4773 7.1897 7.1897 7.6623 7.6623 7.6986 7.6986 7.8136 7.8136 k = 0.2917 0.1679 0.0000 ( 7825 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1115 -36.1115 -17.6109 -17.6109 -17.3749 -17.3749 -17.3668 -17.3668 -17.2880 -17.2880 -17.0799 -17.0799 -17.0212 -17.0212 -17.0110 -17.0110 -16.9276 -16.9276 -16.9213 -16.9213 -11.1101 -11.1101 -11.0220 -11.0220 -0.5025 -0.5025 0.1332 0.1332 0.4402 0.4402 0.6986 0.6986 0.8286 0.8286 1.0656 1.0656 1.1419 1.1419 4.6355 4.6355 5.3918 5.3918 6.2666 6.2666 6.4933 6.4933 7.1700 7.1700 7.6647 7.6647 7.7481 7.7481 7.7903 7.7903 k = 0.2708 0.1559 0.0000 ( 7831 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1114 -36.1114 -17.6109 -17.6109 -17.3751 -17.3751 -17.3666 -17.3666 -17.2880 -17.2880 -17.0799 -17.0799 -17.0217 -17.0217 -17.0106 -17.0106 -16.9278 -16.9278 -16.9211 -16.9211 -11.1126 -11.1126 -11.0196 -11.0196 -0.4854 -0.4854 0.1281 0.1281 0.4253 0.4253 0.6953 0.6953 0.8224 0.8224 1.0645 1.0645 1.1450 1.1450 4.6569 4.6569 5.3917 5.3917 6.2760 6.2760 6.5020 6.5020 7.1563 7.1563 7.6673 7.6673 7.7684 7.7684 7.7960 7.7960 k = 0.2500 0.1440 0.0000 ( 7827 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1114 -36.1114 -17.6109 -17.6109 -17.3752 -17.3752 -17.3663 -17.3663 -17.2880 -17.2880 -17.0799 -17.0799 -17.0220 -17.0220 -17.0102 -17.0102 -16.9281 -16.9281 -16.9208 -16.9208 -11.1150 -11.1150 -11.0172 -11.0172 -0.4676 -0.4676 0.1222 0.1222 0.4124 0.4124 0.6904 0.6904 0.8166 0.8166 1.0617 1.0617 1.1479 1.1479 4.6827 4.6827 5.3915 5.3915 6.2859 6.2859 6.5012 6.5012 7.1511 7.1511 7.6701 7.6701 7.7481 7.7481 7.8368 7.8368 k = 0.2292 0.1320 0.0000 ( 7837 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6109 -17.6109 -17.3754 -17.3754 -17.3661 -17.3661 -17.2881 -17.2881 -17.0800 -17.0800 -17.0224 -17.0224 -17.0098 -17.0098 -16.9283 -16.9283 -16.9206 -16.9206 -11.1174 -11.1174 -11.0149 -11.0149 -0.4493 -0.4493 0.1158 0.1158 0.4017 0.4017 0.6841 0.6841 0.8114 0.8114 1.0574 1.0574 1.1506 1.1506 4.7129 4.7129 5.3913 5.3913 6.2961 6.2961 6.4893 6.4893 7.1561 7.1561 7.6732 7.6732 7.7292 7.7292 7.8616 7.8616 k = 0.2083 0.1200 0.0000 ( 7837 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6109 -17.6109 -17.3756 -17.3756 -17.3659 -17.3659 -17.2881 -17.2881 -17.0800 -17.0800 -17.0228 -17.0228 -17.0094 -17.0094 -16.9285 -16.9285 -16.9204 -16.9204 -11.1195 -11.1195 -11.0127 -11.0127 -0.4309 -0.4309 0.1090 0.1090 0.3932 0.3932 0.6766 0.6766 0.8068 0.8068 1.0518 1.0518 1.1530 1.1530 4.7471 4.7471 5.3912 5.3912 6.3066 6.3066 6.4661 6.4661 7.1717 7.1717 7.6765 7.6765 7.7119 7.7119 7.8618 7.8618 k = 0.1875 0.1080 0.0000 ( 7839 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6109 -17.6109 -17.3757 -17.3757 -17.3657 -17.3657 -17.2881 -17.2881 -17.0800 -17.0800 -17.0231 -17.0231 -17.0091 -17.0091 -16.9287 -16.9287 -16.9201 -16.9201 -11.1216 -11.1216 -11.0108 -11.0108 -0.4126 -0.4126 0.1021 0.1021 0.3867 0.3867 0.6680 0.6680 0.8026 0.8026 1.0454 1.0454 1.1552 1.1552 4.7850 4.7850 5.3910 5.3910 6.3171 6.3171 6.4328 6.4328 7.1973 7.1973 7.6797 7.6797 7.6962 7.6962 7.8431 7.8431 k = 0.1667 0.0960 0.0000 ( 7853 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3759 -17.3759 -17.3656 -17.3656 -17.2881 -17.2881 -17.0800 -17.0800 -17.0234 -17.0234 -17.0088 -17.0088 -16.9289 -16.9289 -16.9200 -16.9200 -11.1234 -11.1234 -11.0089 -11.0089 -0.3948 -0.3948 0.0952 0.0952 0.3821 0.3821 0.6585 0.6585 0.7990 0.7990 1.0384 1.0384 1.1571 1.1571 4.8260 4.8260 5.3908 5.3908 6.3272 6.3272 6.3915 6.3915 7.2313 7.2313 7.6801 7.6801 7.6850 7.6850 7.8177 7.8177 k = 0.1458 0.0840 0.0000 ( 7853 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3760 -17.3760 -17.3654 -17.3654 -17.2881 -17.2881 -17.0801 -17.0801 -17.0237 -17.0237 -17.0085 -17.0085 -16.9291 -16.9291 -16.9198 -16.9198 -11.1251 -11.1251 -11.0073 -11.0073 -0.3779 -0.3779 0.0887 0.0887 0.3792 0.3792 0.6483 0.6483 0.7959 0.7959 1.0311 1.0311 1.1587 1.1587 4.8690 4.8690 5.3907 5.3907 6.3338 6.3338 6.3477 6.3477 7.2718 7.2718 7.6688 7.6688 7.6870 7.6870 7.7922 7.7922 k = 0.1250 0.0720 0.0000 ( 7857 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3761 -17.3761 -17.3653 -17.3653 -17.2881 -17.2881 -17.0801 -17.0801 -17.0240 -17.0240 -17.0083 -17.0083 -16.9292 -16.9292 -16.9196 -16.9196 -11.1265 -11.1265 -11.0058 -11.0058 -0.3624 -0.3624 0.0827 0.0827 0.3778 0.3778 0.6379 0.6379 0.7933 0.7933 1.0240 1.0240 1.1602 1.1602 4.9129 4.9129 5.3907 5.3907 6.2928 6.2928 6.3478 6.3478 7.3165 7.3165 7.6580 7.6580 7.6900 7.6900 7.7698 7.7698 k = 0.1042 0.0600 0.0000 ( 7855 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3762 -17.3762 -17.3652 -17.3652 -17.2881 -17.2881 -17.0801 -17.0801 -17.0241 -17.0241 -17.0081 -17.0081 -16.9293 -16.9293 -16.9195 -16.9195 -11.1278 -11.1278 -11.0046 -11.0046 -0.3484 -0.3484 0.0775 0.0775 0.3776 0.3776 0.6275 0.6275 0.7912 0.7912 1.0173 1.0173 1.1614 1.1614 4.9562 4.9562 5.3906 5.3906 6.2427 6.2427 6.3559 6.3559 7.3631 7.3631 7.6487 7.6487 7.6928 7.6928 7.7529 7.7529 k = 0.0833 0.0480 0.0000 ( 7855 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1112 -36.1112 -17.6110 -17.6110 -17.3763 -17.3763 -17.3651 -17.3651 -17.2881 -17.2881 -17.0801 -17.0801 -17.0243 -17.0243 -17.0079 -17.0079 -16.9294 -16.9294 -16.9194 -16.9194 -11.1288 -11.1288 -11.0036 -11.0036 -0.3365 -0.3365 0.0732 0.0732 0.3781 0.3781 0.6179 0.6179 0.7895 0.7895 1.0114 1.0114 1.1624 1.1624 4.9970 4.9970 5.3907 5.3907 6.1951 6.1951 6.3631 6.3631 7.4085 7.4085 7.6412 7.6412 7.6952 7.6952 7.7441 7.7441 k = 0.0625 0.0360 0.0000 ( 7853 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1112 -36.1112 -17.6110 -17.6110 -17.3764 -17.3764 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0244 -17.0244 -17.0078 -17.0078 -16.9295 -16.9295 -16.9193 -16.9193 -11.1297 -11.1297 -11.0028 -11.0028 -0.3269 -0.3269 0.0698 0.0698 0.3792 0.3792 0.6095 0.6095 0.7882 0.7882 1.0066 1.0066 1.1632 1.1632 5.0329 5.0329 5.3907 5.3907 6.1531 6.1531 6.3690 6.3690 7.4490 7.4490 7.6352 7.6352 7.6973 7.6973 7.7461 7.7461 k = 0.0417 0.0240 0.0000 ( 7857 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0245 -17.0245 -17.0077 -17.0077 -16.9295 -16.9295 -16.9193 -16.9193 -11.1302 -11.1302 -11.0022 -11.0022 -0.3199 -0.3199 0.0674 0.0674 0.3803 0.3803 0.6029 0.6029 0.7873 0.7873 1.0029 1.0029 1.1638 1.1638 5.0612 5.0612 5.3908 5.3908 6.1199 6.1199 6.3734 6.3734 7.4802 7.4802 7.6310 7.6310 7.6988 7.6988 7.7618 7.7618 k = 0.0208 0.0120 0.0000 ( 7861 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9296 -16.9296 -16.9193 -16.9193 -11.1306 -11.1306 -11.0019 -11.0019 -0.3156 -0.3156 0.0659 0.0659 0.3811 0.3811 0.5987 0.5987 0.7868 0.7868 1.0007 1.0007 1.1641 1.1641 5.0795 5.0795 5.3909 5.3909 6.0985 6.0985 6.3761 6.3761 7.4993 7.4993 7.6284 7.6284 7.6997 7.6997 7.7921 7.7921 k = 0.0000 0.0000 0.0000 ( 7849 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3649 -17.3649 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9296 -16.9296 -16.9192 -16.9192 -11.1307 -11.1307 -11.0017 -11.0017 -0.3141 -0.3141 0.0655 0.0655 0.3814 0.3814 0.5973 0.5973 0.7866 0.7866 0.9999 0.9999 1.1642 1.1642 5.0859 5.0859 5.3910 5.3910 6.0912 6.0912 6.3771 6.3771 7.5055 7.5055 7.6276 7.6276 7.7000 7.7000 7.8299 7.8299 k = 0.0000 0.0000 0.0000 ( 7849 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3649 -17.3649 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9296 -16.9296 -16.9192 -16.9192 -11.1307 -11.1307 -11.0017 -11.0017 -0.3141 -0.3141 0.0655 0.0655 0.3814 0.3814 0.5973 0.5973 0.7866 0.7866 0.9999 0.9999 1.1642 1.1642 5.0859 5.0859 5.3910 5.3910 6.0912 6.0912 6.3771 6.3771 7.5055 7.5055 7.6276 7.6276 7.7000 7.7000 7.8299 7.8399 k = 0.0098-0.0171 0.0142 ( 7857 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3764 -17.3764 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0076 -17.0076 -16.9296 -16.9296 -16.9192 -16.9192 -11.1305 -11.1305 -11.0017 -11.0017 -0.3141 -0.3141 0.0647 0.0647 0.3791 0.3791 0.5989 0.5989 0.7865 0.7865 1.0002 1.0002 1.1639 1.1639 5.0858 5.0858 5.3820 5.3820 6.1004 6.1004 6.3757 6.3757 7.5056 7.5056 7.6307 7.6307 7.7020 7.7020 7.8287 7.8287 k = 0.0197-0.0341 0.0283 ( 7859 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3765 -17.3765 -17.3650 -17.3650 -17.2882 -17.2882 -17.0801 -17.0801 -17.0246 -17.0246 -17.0077 -17.0077 -16.9296 -16.9296 -16.9193 -16.9193 -11.1300 -11.1300 -11.0017 -11.0017 -0.3139 -0.3139 0.0625 0.0625 0.3723 0.3723 0.6037 0.6037 0.7863 0.7863 1.0009 1.0009 1.1631 1.1631 5.0853 5.0853 5.3565 5.3565 6.1268 6.1268 6.3717 6.3717 7.5060 7.5060 7.6398 7.6398 7.7078 7.7078 7.8252 7.8255 k = 0.0295-0.0512 0.0425 ( 7851 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3765 -17.3765 -17.3651 -17.3651 -17.2881 -17.2881 -17.0801 -17.0801 -17.0246 -17.0246 -17.0078 -17.0078 -16.9295 -16.9295 -16.9193 -16.9193 -11.1290 -11.1290 -11.0016 -11.0016 -0.3137 -0.3137 0.0589 0.0589 0.3620 0.3620 0.6108 0.6108 0.7859 0.7859 1.0020 1.0020 1.1618 1.1618 5.0846 5.0846 5.3181 5.3181 6.1668 6.1668 6.3652 6.3652 7.5063 7.5063 7.6548 7.6548 7.7172 7.7172 7.8194 7.8199 k = 0.0393-0.0683 0.0566 ( 7843 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1111 -36.1111 -17.6110 -17.6110 -17.3765 -17.3765 -17.3652 -17.3652 -17.2881 -17.2881 -17.0801 -17.0801 -17.0245 -17.0245 -17.0079 -17.0079 -16.9295 -16.9295 -16.9193 -16.9193 -11.1277 -11.1277 -11.0015 -11.0015 -0.3137 -0.3137 0.0542 0.0542 0.3489 0.3489 0.6194 0.6194 0.7854 0.7854 1.0035 1.0035 1.1600 1.1600 5.0836 5.0836 5.2705 5.2705 6.2163 6.2163 6.3564 6.3564 7.5066 7.5066 7.6754 7.6754 7.7296 7.7296 7.8113 7.8114 k = 0.0491-0.0853 0.0708 ( 7835 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1112 -36.1112 -17.6110 -17.6110 -17.3766 -17.3766 -17.3653 -17.3653 -17.2881 -17.2881 -17.0801 -17.0801 -17.0245 -17.0245 -17.0081 -17.0081 -16.9294 -16.9294 -16.9194 -16.9194 -11.1261 -11.1261 -11.0013 -11.0013 -0.3139 -0.3139 0.0484 0.0484 0.3340 0.3340 0.6289 0.6289 0.7849 0.7849 1.0052 1.0052 1.1576 1.1576 5.0823 5.0823 5.2172 5.2172 6.2720 6.2720 6.3458 6.3458 7.5062 7.5062 7.7014 7.7014 7.7430 7.7430 7.8013 7.8013 k = 0.0590-0.1024 0.0849 ( 7847 PWs) bands (ev): -36.3442 -36.3442 -36.1128 -36.1128 -36.1112 -36.1112 -17.6110 -17.6110 -17.3766 -17.3766 -17.3656 -17.3656 -17.2881 -17.2881 -17.0801 -17.0801 -17.0245 -17.0245 -17.0084 -17.0084 -16.9293 -16.9293 -16.9194 -16.9194 -11.1241 -11.1241 -11.0012 -11.0012 -0.3147 -0.3147 0.0420 0.0420 0.3181 0.3181 0.6385 0.6385 0.7845 0.7845 1.0070 1.0070 1.1548 1.1548 5.0805 5.0805 5.1609 5.1609 6.3261 6.3261 6.3385 6.3385 7.5049 7.5049 7.7322 7.7322 7.7490 7.7490 7.7927 7.7927 k = 0.0688-0.1195 0.0991 ( 7849 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3767 -17.3767 -17.3658 -17.3658 -17.2880 -17.2880 -17.0800 -17.0800 -17.0245 -17.0245 -17.0087 -17.0087 -16.9292 -16.9292 -16.9195 -16.9195 -11.1218 -11.1218 -11.0010 -11.0010 -0.3163 -0.3163 0.0352 0.0352 0.3020 0.3020 0.6477 0.6477 0.7842 0.7842 1.0088 1.0088 1.1515 1.1515 5.0758 5.0758 5.1059 5.1059 6.3182 6.3182 6.3935 6.3935 7.5019 7.5019 7.7359 7.7359 7.7677 7.7677 7.7862 7.7862 k = 0.0786-0.1365 0.1132 ( 7837 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3767 -17.3767 -17.3660 -17.3660 -17.2880 -17.2880 -17.0800 -17.0800 -17.0244 -17.0244 -17.0090 -17.0090 -16.9291 -16.9291 -16.9196 -16.9196 -11.1192 -11.1192 -11.0009 -11.0009 -0.3190 -0.3190 0.0283 0.0283 0.2862 0.2862 0.6563 0.6563 0.7841 0.7841 1.0104 1.0104 1.1479 1.1479 5.0391 5.0391 5.0825 5.0825 6.3034 6.3034 6.4545 6.4545 7.4967 7.4967 7.7104 7.7104 7.7789 7.7789 7.8074 7.8074 k = 0.0884-0.1536 0.1274 ( 7841 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3768 -17.3768 -17.3663 -17.3663 -17.2880 -17.2880 -17.0800 -17.0800 -17.0244 -17.0244 -17.0094 -17.0094 -16.9290 -16.9290 -16.9197 -16.9197 -11.1163 -11.1163 -11.0008 -11.0008 -0.3230 -0.3230 0.0217 0.0217 0.2714 0.2714 0.6640 0.6640 0.7843 0.7843 1.0117 1.0117 1.1438 1.1438 4.9830 4.9830 5.0792 5.0792 6.2878 6.2878 6.5145 6.5145 7.4884 7.4884 7.6791 7.6791 7.7732 7.7732 7.8504 7.8510 k = 0.0983-0.1707 0.1415 ( 7833 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3768 -17.3768 -17.3666 -17.3666 -17.2879 -17.2879 -17.0800 -17.0800 -17.0243 -17.0243 -17.0097 -17.0097 -16.9289 -16.9289 -16.9198 -16.9198 -11.1132 -11.1132 -11.0008 -11.0008 -0.3288 -0.3288 0.0157 0.0157 0.2580 0.2580 0.6705 0.6705 0.7847 0.7847 1.0126 1.0126 1.1394 1.1394 4.9272 4.9272 5.0773 5.0773 6.2716 6.2716 6.5728 6.5728 7.4765 7.4765 7.6444 7.6444 7.7700 7.7700 7.8962 7.8967 k = 0.1081-0.1877 0.1557 ( 7827 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6110 -17.6110 -17.3769 -17.3769 -17.3669 -17.3669 -17.2879 -17.2879 -17.0799 -17.0799 -17.0242 -17.0242 -17.0101 -17.0101 -16.9288 -16.9288 -16.9199 -16.9199 -11.1099 -11.1099 -11.0008 -11.0008 -0.3365 -0.3365 0.0105 0.0105 0.2466 0.2466 0.6758 0.6758 0.7856 0.7856 1.0129 1.0129 1.1347 1.1347 4.8734 4.8734 5.0756 5.0756 6.2553 6.2553 6.6284 6.6284 7.4608 7.4608 7.6077 7.6077 7.7701 7.7701 7.9428 7.9440 k = 0.1179-0.2048 0.1699 ( 7825 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1112 -36.1112 -17.6111 -17.6111 -17.3769 -17.3769 -17.3672 -17.3672 -17.2878 -17.2878 -17.0799 -17.0799 -17.0241 -17.0241 -17.0106 -17.0106 -16.9286 -16.9286 -16.9200 -16.9200 -11.1064 -11.1064 -11.0010 -11.0010 -0.3461 -0.3461 0.0063 0.0063 0.2375 0.2375 0.6798 0.6798 0.7868 0.7868 1.0125 1.0125 1.1298 1.1298 4.8223 4.8223 5.0740 5.0740 6.2391 6.2391 6.6808 6.6808 7.4414 7.4414 7.5696 7.5696 7.7736 7.7736 7.9868 7.9874 k = 0.1278-0.2219 0.1840 ( 7817 PWs) bands (ev): -36.3442 -36.3442 -36.1127 -36.1127 -36.1113 -36.1113 -17.6111 -17.6111 -17.3769 -17.3769 -17.3675 -17.3675 -17.2878 -17.2878 -17.0798 -17.0798 -17.0240 -17.0240 -17.0110 -17.0110 -16.9285 -16.9285 -16.9201 -16.9201 -11.1028 -11.1028 -11.0012 -11.0012 -0.3576 -0.3576 0.0029 0.0029 0.2311 0.2311 0.6824 0.6824 0.7884 0.7884 1.0114 1.0114 1.1247 1.1247 4.7743 4.7743 5.0724 5.0724 6.2231 6.2231 6.7296 6.7296 7.4188 7.4188 7.5310 7.5310 7.7805 7.7805 8.0326 8.0334 k = 0.1376-0.2389 0.1982 ( 7827 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6111 -17.6111 -17.3770 -17.3770 -17.3679 -17.3679 -17.2877 -17.2877 -17.0798 -17.0798 -17.0240 -17.0240 -17.0115 -17.0115 -16.9283 -16.9283 -16.9202 -16.9202 -11.0990 -11.0990 -11.0016 -11.0016 -0.3710 -0.3710 0.0005 0.0005 0.2278 0.2278 0.6836 0.6836 0.7905 0.7905 1.0093 1.0093 1.1197 1.1197 4.7298 4.7298 5.0708 5.0708 6.2076 6.2076 6.7743 6.7743 7.3936 7.3936 7.4922 7.4922 7.7904 7.7904 8.0804 8.0805 k = 0.1474-0.2560 0.2123 ( 7821 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6111 -17.6111 -17.3770 -17.3770 -17.3683 -17.3683 -17.2877 -17.2877 -17.0798 -17.0798 -17.0238 -17.0238 -17.0119 -17.0119 -16.9281 -16.9281 -16.9203 -16.9203 -11.0952 -11.0952 -11.0021 -11.0021 -0.3859 -0.3859 -0.0010 -0.0010 0.2276 0.2276 0.6833 0.6833 0.7930 0.7930 1.0062 1.0062 1.1146 1.1146 4.6893 4.6893 5.0692 5.0692 6.1927 6.1927 6.8146 6.8146 7.3667 7.3667 7.4537 7.4537 7.8030 7.8030 8.1300 8.1300 k = 0.1572-0.2731 0.2265 ( 7833 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6111 -17.6111 -17.3770 -17.3770 -17.3686 -17.3686 -17.2876 -17.2876 -17.0798 -17.0798 -17.0237 -17.0237 -17.0124 -17.0124 -16.9280 -16.9280 -16.9205 -16.9205 -11.0913 -11.0913 -11.0028 -11.0028 -0.4021 -0.4021 -0.0018 -0.0018 0.2307 0.2307 0.6815 0.6815 0.7959 0.7959 1.0022 1.0022 1.1096 1.1096 4.6529 4.6529 5.0675 5.0675 6.1785 6.1785 6.8499 6.8499 7.3391 7.3391 7.4158 7.4158 7.8178 7.8178 8.1571 8.1626 k = 0.1671-0.2901 0.2406 ( 7829 PWs) bands (ev): -36.3442 -36.3442 -36.1126 -36.1126 -36.1113 -36.1113 -17.6111 -17.6111 -17.3769 -17.3769 -17.3690 -17.3690 -17.2876 -17.2876 -17.0797 -17.0797 -17.0236 -17.0236 -17.0129 -17.0129 -16.9278 -16.9278 -16.9206 -16.9206 -11.0874 -11.0874 -11.0036 -11.0036 -0.4192 -0.4192 -0.0017 -0.0017 0.2369 0.2369 0.6784 0.6784 0.7991 0.7991 0.9972 0.9972 1.1048 1.1048 4.6209 4.6209 5.0657 5.0657 6.1653 6.1653 6.8798 6.8798 7.3118 7.3118 7.3787 7.3787 7.8346 7.8346 8.1704 8.1705 k = 0.1769-0.3072 0.2548 ( 7817 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1114 -36.1114 -17.6111 -17.6111 -17.3769 -17.3769 -17.3694 -17.3694 -17.2875 -17.2875 -17.0797 -17.0797 -17.0234 -17.0234 -17.0133 -17.0133 -16.9276 -16.9276 -16.9208 -16.9208 -11.0835 -11.0835 -11.0047 -11.0047 -0.4369 -0.4369 -0.0007 -0.0007 0.2460 0.2460 0.6738 0.6738 0.8027 0.8027 0.9914 0.9914 1.1001 1.1001 4.5936 4.5936 5.0636 5.0636 6.1529 6.1529 6.9035 6.9035 7.2863 7.2863 7.3427 7.3427 7.8531 7.8531 8.1845 8.1845 k = 0.1867-0.3243 0.2689 ( 7815 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1114 -36.1114 -17.6111 -17.6111 -17.3768 -17.3768 -17.3697 -17.3697 -17.2875 -17.2875 -17.0796 -17.0796 -17.0233 -17.0233 -17.0137 -17.0137 -16.9275 -16.9275 -16.9209 -16.9209 -11.0797 -11.0797 -11.0059 -11.0059 -0.4549 -0.4549 0.0014 0.0014 0.2578 0.2578 0.6678 0.6678 0.8066 0.8066 0.9848 0.9848 1.0956 1.0956 4.5711 4.5711 5.0612 5.0612 6.1416 6.1416 6.9200 6.9200 7.2639 7.2639 7.3079 7.3079 7.8728 7.8728 8.1992 8.1992 k = 0.1966-0.3414 0.2831 ( 7813 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1114 -36.1114 -17.6111 -17.6111 -17.3767 -17.3767 -17.3701 -17.3701 -17.2875 -17.2875 -17.0796 -17.0796 -17.0231 -17.0231 -17.0142 -17.0142 -16.9273 -16.9273 -16.9211 -16.9211 -11.0759 -11.0759 -11.0074 -11.0074 -0.4728 -0.4728 0.0046 0.0046 0.2720 0.2720 0.6604 0.6604 0.8107 0.8107 0.9776 0.9776 1.0912 1.0912 4.5535 4.5535 5.0584 5.0584 6.1315 6.1315 6.9282 6.9282 7.2461 7.2461 7.2746 7.2746 7.8937 7.8937 8.2143 8.2143 k = 0.2064-0.3584 0.2972 ( 7823 PWs) bands (ev): -36.3442 -36.3442 -36.1125 -36.1125 -36.1114 -36.1114 -17.6111 -17.6111 -17.3766 -17.3766 -17.3704 -17.3704 -17.2874 -17.2874 -17.0796 -17.0796 -17.0229 -17.0229 -17.0146 -17.0146 -16.9271 -16.9271 -16.9213 -16.9213 -11.0723 -11.0723 -11.0091 -11.0091 -0.4903 -0.4903 0.0093 0.0093 0.2880 0.2880 0.6518 0.6518 0.8149 0.8149 0.9702 0.9702 1.0870 1.0870 4.5409 4.5409 5.0550 5.0550 6.1224 6.1224 6.9274 6.9274 7.2340 7.2340 7.2429 7.2429 7.9154 7.9154 8.2299 8.2299 k = 0.2162-0.3755 0.3114 ( 7821 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6111 -17.6111 -17.3765 -17.3765 -17.3708 -17.3708 -17.2874 -17.2874 -17.0796 -17.0796 -17.0227 -17.0227 -17.0150 -17.0150 -16.9269 -16.9269 -16.9214 -16.9214 -11.0687 -11.0687 -11.0110 -11.0110 -0.5073 -0.5073 0.0155 0.0155 0.3057 0.3057 0.6419 0.6419 0.8192 0.8192 0.9626 0.9626 1.0830 1.0830 4.5334 4.5334 5.0510 5.0510 6.1146 6.1146 6.9179 6.9179 7.2129 7.2129 7.2279 7.2279 7.9378 7.9378 8.2458 8.2458 k = 0.2260-0.3926 0.3256 ( 7809 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6111 -17.6111 -17.3763 -17.3763 -17.3711 -17.3711 -17.2874 -17.2874 -17.0795 -17.0795 -17.0224 -17.0224 -17.0153 -17.0153 -16.9267 -16.9267 -16.9216 -16.9216 -11.0654 -11.0654 -11.0131 -11.0131 -0.5235 -0.5235 0.0232 0.0232 0.3247 0.3247 0.6309 0.6309 0.8233 0.8233 0.9552 0.9552 1.0791 1.0791 4.5309 4.5309 5.0462 5.0462 6.1080 6.1080 6.9009 6.9009 7.1849 7.1849 7.2267 7.2267 7.9607 7.9607 8.2620 8.2620 k = 0.2359-0.4096 0.3397 ( 7801 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6111 -17.6111 -17.3761 -17.3761 -17.3714 -17.3714 -17.2874 -17.2874 -17.0795 -17.0795 -17.0222 -17.0222 -17.0157 -17.0157 -16.9265 -16.9265 -16.9218 -16.9218 -11.0622 -11.0622 -11.0155 -11.0155 -0.5387 -0.5387 0.0327 0.0327 0.3445 0.3445 0.6190 0.6190 0.8271 0.8271 0.9484 0.9484 1.0754 1.0754 4.5335 4.5335 5.0405 5.0405 6.1025 6.1025 6.8779 6.8779 7.1590 7.1590 7.2291 7.2291 7.9838 7.9838 8.2785 8.2785 k = 0.2457-0.4267 0.3539 ( 7799 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6111 -17.6111 -17.3759 -17.3759 -17.3717 -17.3717 -17.2873 -17.2873 -17.0795 -17.0795 -17.0219 -17.0219 -17.0160 -17.0160 -16.9264 -16.9264 -16.9219 -16.9219 -11.0592 -11.0592 -11.0181 -11.0181 -0.5528 -0.5528 0.0438 0.0438 0.3649 0.3649 0.6063 0.6063 0.8304 0.8304 0.9425 0.9425 1.0718 1.0718 4.5410 4.5410 5.0337 5.0337 6.0984 6.0984 6.8509 6.8509 7.1354 7.1354 7.2334 7.2334 8.0070 8.0070 8.2952 8.2952 k = 0.2555-0.4438 0.3680 ( 7801 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3756 -17.3756 -17.3719 -17.3719 -17.2873 -17.2873 -17.0794 -17.0794 -17.0217 -17.0217 -17.0163 -17.0163 -16.9262 -16.9262 -16.9221 -16.9221 -11.0564 -11.0564 -11.0209 -11.0209 -0.5657 -0.5657 0.0566 0.0566 0.3853 0.3853 0.5931 0.5931 0.8331 0.8331 0.9377 0.9377 1.0683 1.0683 4.5534 4.5534 5.0258 5.0258 6.0955 6.0955 6.8212 6.8212 7.1141 7.1141 7.2385 7.2385 8.0300 8.0300 8.3120 8.3120 k = 0.2653-0.4608 0.3822 ( 7803 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3753 -17.3753 -17.3722 -17.3722 -17.2873 -17.2873 -17.0794 -17.0794 -17.0214 -17.0214 -17.0165 -17.0165 -16.9260 -16.9260 -16.9223 -16.9223 -11.0538 -11.0538 -11.0239 -11.0239 -0.5773 -0.5773 0.0710 0.0710 0.4053 0.4053 0.5800 0.5800 0.8349 0.8349 0.9344 0.9344 1.0651 1.0651 4.5705 4.5705 5.0165 5.0165 6.0937 6.0937 6.7900 6.7900 7.0954 7.0954 7.2433 7.2433 8.0527 8.0527 8.3288 8.3288 k = 0.2752-0.4779 0.3963 ( 7815 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3751 -17.3751 -17.3724 -17.3724 -17.2873 -17.2873 -17.0794 -17.0794 -17.0211 -17.0211 -17.0167 -17.0167 -16.9259 -16.9259 -16.9225 -16.9225 -11.0515 -11.0515 -11.0271 -11.0271 -0.5875 -0.5875 0.0868 0.0868 0.4239 0.4239 0.5678 0.5678 0.8359 0.8359 0.9327 0.9327 1.0622 1.0622 4.5921 4.5921 5.0058 5.0058 6.0932 6.0932 6.7581 6.7581 7.0794 7.0794 7.2473 7.2473 8.0746 8.0746 8.3455 8.3455 k = 0.2850-0.4950 0.4105 ( 7812 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3747 -17.3747 -17.3726 -17.3726 -17.2873 -17.2873 -17.0794 -17.0794 -17.0208 -17.0208 -17.0169 -17.0169 -16.9257 -16.9257 -16.9227 -16.9227 -11.0493 -11.0493 -11.0305 -11.0305 -0.5964 -0.5964 0.1039 0.1039 0.4399 0.4399 0.5578 0.5578 0.8360 0.8360 0.9325 0.9325 1.0596 1.0596 4.6180 4.6180 4.9936 4.9936 6.0939 6.0939 6.7259 6.7259 7.0661 7.0661 7.2502 7.2502 8.0956 8.0956 8.3622 8.3622 k = 0.2948-0.5120 0.4246 ( 7810 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6111 -17.6111 -17.3744 -17.3744 -17.3727 -17.3727 -17.2873 -17.2873 -17.0794 -17.0794 -17.0205 -17.0205 -17.0171 -17.0171 -16.9256 -16.9256 -16.9228 -16.9228 -11.0475 -11.0475 -11.0340 -11.0340 -0.6039 -0.6039 0.1219 0.1219 0.4512 0.4512 0.5523 0.5523 0.8356 0.8356 0.9337 0.9337 1.0574 1.0574 4.6479 4.6479 4.9798 4.9798 6.0956 6.0956 6.6940 6.6940 7.0557 7.0557 7.2516 7.2516 8.1153 8.1153 8.3787 8.3787 k = 0.3047-0.5291 0.4388 ( 7818 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6110 -17.6110 -17.3741 -17.3741 -17.3729 -17.3729 -17.2874 -17.2874 -17.0795 -17.0795 -17.0202 -17.0202 -17.0172 -17.0172 -16.9254 -16.9254 -16.9230 -16.9230 -11.0458 -11.0458 -11.0376 -11.0376 -0.6101 -0.6101 0.1405 0.1405 0.4557 0.4557 0.5534 0.5534 0.8348 0.8348 0.9361 0.9361 1.0557 1.0557 4.6816 4.6816 4.9643 4.9643 6.0985 6.0985 6.6625 6.6625 7.0484 7.0484 7.2517 7.2517 8.1331 8.1331 8.3948 8.3948 k = 0.3047-0.5291 0.4388 ( 7818 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6110 -17.6110 -17.3741 -17.3741 -17.3729 -17.3729 -17.2874 -17.2874 -17.0795 -17.0795 -17.0202 -17.0202 -17.0172 -17.0172 -16.9254 -16.9254 -16.9230 -16.9230 -11.0458 -11.0458 -11.0376 -11.0376 -0.6101 -0.6101 0.1405 0.1405 0.4557 0.4557 0.5534 0.5534 0.8348 0.8348 0.9361 0.9361 1.0557 1.0557 4.6816 4.6816 4.9643 4.9643 6.0985 6.0985 6.6625 6.6625 7.0484 7.0484 7.2517 7.2517 8.1331 8.1331 8.3948 8.3948 k = 0.3197-0.5107 0.4327 ( 7816 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6111 -17.6111 -17.3743 -17.3743 -17.3728 -17.3728 -17.2874 -17.2874 -17.0795 -17.0795 -17.0203 -17.0203 -17.0171 -17.0171 -16.9255 -16.9255 -16.9229 -16.9229 -11.0468 -11.0468 -11.0357 -11.0357 -0.6069 -0.6069 0.1301 0.1301 0.4555 0.4555 0.5526 0.5526 0.8355 0.8355 0.9347 0.9347 1.0565 1.0565 4.6644 4.6644 4.9725 4.9725 6.0972 6.0972 6.6780 6.6780 7.0512 7.0512 7.2538 7.2538 8.1239 8.1239 8.3890 8.3890 k = 0.3347-0.4923 0.4267 ( 7815 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6111 -17.6111 -17.3745 -17.3745 -17.3727 -17.3727 -17.2874 -17.2874 -17.0794 -17.0794 -17.0205 -17.0205 -17.0170 -17.0170 -16.9256 -16.9256 -16.9228 -16.9228 -11.0482 -11.0482 -11.0334 -11.0334 -0.6022 -0.6022 0.1154 0.1154 0.4565 0.4565 0.5534 0.5534 0.8370 0.8370 0.9331 0.9331 1.0577 1.0577 4.6442 4.6442 4.9822 4.9822 6.0962 6.0962 6.6975 6.6975 7.0544 7.0544 7.2597 7.2597 8.1103 8.1103 8.3854 8.3855 k = 0.3497-0.4740 0.4206 ( 7810 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3747 -17.3747 -17.3725 -17.3725 -17.2873 -17.2873 -17.0794 -17.0794 -17.0207 -17.0207 -17.0169 -17.0169 -16.9257 -16.9257 -16.9227 -16.9227 -11.0497 -11.0497 -11.0312 -11.0312 -0.5960 -0.5960 0.0970 0.0970 0.4590 0.4590 0.5552 0.5552 0.8392 0.8392 0.9311 0.9311 1.0592 1.0592 4.6223 4.6223 4.9922 4.9922 6.0954 6.0954 6.7206 6.7206 7.0577 7.0577 7.2694 7.2694 8.0920 8.0920 8.3842 8.3842 k = 0.3648-0.4556 0.4146 ( 7807 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3749 -17.3749 -17.3724 -17.3724 -17.2873 -17.2873 -17.0795 -17.0795 -17.0209 -17.0209 -17.0168 -17.0168 -16.9258 -16.9258 -16.9226 -16.9226 -11.0511 -11.0511 -11.0291 -11.0291 -0.5886 -0.5886 0.0757 0.0757 0.4630 0.4630 0.5573 0.5573 0.8420 0.8420 0.9287 0.9287 1.0610 1.0610 4.5998 4.5998 5.0019 5.0019 6.0949 6.0949 6.7465 6.7465 7.0608 7.0608 7.2831 7.2831 8.0686 8.0686 8.3853 8.3853 k = 0.3798-0.4372 0.4085 ( 7811 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3751 -17.3751 -17.3723 -17.3723 -17.2873 -17.2873 -17.0795 -17.0795 -17.0210 -17.0210 -17.0167 -17.0167 -16.9259 -16.9259 -16.9225 -16.9225 -11.0525 -11.0525 -11.0272 -11.0272 -0.5801 -0.5801 0.0527 0.0527 0.4682 0.4682 0.5594 0.5594 0.8455 0.8455 0.9259 0.9259 1.0628 1.0628 4.5776 4.5776 5.0108 5.0108 6.0945 6.0945 6.7744 6.7744 7.0635 7.0635 7.3009 7.3009 8.0404 8.0404 8.3885 8.3885 k = 0.3948-0.4188 0.4025 ( 7803 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3752 -17.3752 -17.3721 -17.3721 -17.2873 -17.2873 -17.0795 -17.0795 -17.0212 -17.0212 -17.0166 -17.0166 -16.9259 -16.9259 -16.9224 -16.9224 -11.0537 -11.0537 -11.0254 -11.0254 -0.5708 -0.5708 0.0290 0.0290 0.4740 0.4740 0.5612 0.5612 0.8494 0.8494 0.9228 0.9228 1.0647 1.0647 4.5565 4.5565 5.0185 5.0185 6.0942 6.0942 6.8032 6.8032 7.0655 7.0655 7.3230 7.3230 8.0075 8.0075 8.3935 8.3935 k = 0.4098-0.4005 0.3964 ( 7801 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3754 -17.3754 -17.3720 -17.3720 -17.2873 -17.2873 -17.0795 -17.0795 -17.0213 -17.0213 -17.0165 -17.0165 -16.9260 -16.9260 -16.9223 -16.9223 -11.0547 -11.0547 -11.0238 -11.0238 -0.5612 -0.5612 0.0056 0.0056 0.4802 0.4802 0.5627 0.5627 0.8537 0.8537 0.9194 0.9194 1.0665 1.0665 4.5370 4.5370 5.0249 5.0249 6.0940 6.0940 6.8316 6.8316 7.0665 7.0665 7.3494 7.3494 7.9705 7.9705 8.4000 8.4000 k = 0.4249-0.3821 0.3903 ( 7795 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3755 -17.3755 -17.3719 -17.3719 -17.2873 -17.2873 -17.0795 -17.0795 -17.0214 -17.0214 -17.0164 -17.0164 -16.9261 -16.9261 -16.9222 -16.9222 -11.0557 -11.0557 -11.0225 -11.0225 -0.5515 -0.5515 -0.0165 -0.0165 0.4861 0.4861 0.5638 0.5638 0.8582 0.8582 0.9158 0.9158 1.0682 1.0682 4.5198 4.5198 5.0302 5.0302 6.0939 6.0939 6.8585 6.8585 7.0666 7.0666 7.3797 7.3797 7.9302 7.9302 8.4074 8.4074 k = 0.4399-0.3637 0.3843 ( 7793 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3756 -17.3756 -17.3718 -17.3718 -17.2873 -17.2873 -17.0795 -17.0795 -17.0215 -17.0215 -17.0163 -17.0163 -16.9261 -16.9261 -16.9222 -16.9222 -11.0564 -11.0564 -11.0214 -11.0214 -0.5424 -0.5424 -0.0363 -0.0363 0.4916 0.4916 0.5645 0.5645 0.8628 0.8628 0.9121 0.9121 1.0697 1.0697 4.5051 4.5051 5.0343 5.0343 6.0938 6.0938 6.8828 6.8828 7.0658 7.0658 7.4132 7.4132 7.8881 7.8881 8.4151 8.4151 k = 0.4549-0.3453 0.3782 ( 7787 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3757 -17.3757 -17.3718 -17.3718 -17.2873 -17.2873 -17.0795 -17.0795 -17.0216 -17.0216 -17.0163 -17.0163 -16.9262 -16.9262 -16.9221 -16.9221 -11.0570 -11.0570 -11.0205 -11.0205 -0.5343 -0.5343 -0.0530 -0.0530 0.4962 0.4962 0.5649 0.5649 0.8672 0.8672 0.9085 0.9085 1.0709 1.0709 4.4933 4.4933 5.0373 5.0373 6.0937 6.0937 6.9033 6.9033 7.0642 7.0642 7.4484 7.4484 7.8460 7.8460 8.4224 8.4224 k = 0.4699-0.3270 0.3722 ( 7789 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1116 -36.1116 -17.6111 -17.6111 -17.3758 -17.3758 -17.3717 -17.3717 -17.2873 -17.2873 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9262 -16.9262 -16.9221 -16.9221 -11.0575 -11.0575 -11.0199 -11.0199 -0.5280 -0.5280 -0.0656 -0.0656 0.4997 0.4997 0.5651 0.5651 0.8712 0.8712 0.9051 0.9051 1.0718 1.0718 4.4848 4.4848 5.0394 5.0394 6.0937 6.0937 6.9191 6.9191 7.0623 7.0623 7.4821 7.4821 7.8073 7.8073 8.4284 8.4284 k = 0.4850-0.3086 0.3661 ( 7798 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1115 -36.1115 -17.6111 -17.6111 -17.3758 -17.3758 -17.3717 -17.3717 -17.2873 -17.2873 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9262 -16.9262 -16.9221 -16.9221 -11.0577 -11.0577 -11.0195 -11.0195 -0.5239 -0.5239 -0.0735 -0.0735 0.5019 0.5019 0.5652 0.5652 0.8741 0.8741 0.9026 0.9026 1.0723 1.0723 4.4795 4.4795 5.0406 5.0406 6.0937 6.0937 6.9291 6.9291 7.0607 7.0607 7.5085 7.5085 7.7778 7.7778 8.4324 8.4324 k = 0.5000-0.2902 0.3601 ( 7804 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6111 -17.6111 -17.3758 -17.3758 -17.3717 -17.3717 -17.2873 -17.2873 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9262 -16.9262 -16.9221 -16.9221 -11.0578 -11.0578 -11.0194 -11.0194 -0.5225 -0.5225 -0.0762 -0.0762 0.5027 0.5027 0.5652 0.5652 0.8752 0.8752 0.9017 0.9017 1.0725 1.0725 4.4778 4.4778 5.0410 5.0410 6.0937 6.0937 6.9326 6.9326 7.0601 7.0601 7.5190 7.5190 7.7663 7.7663 8.4337 8.4337 k = 0.5000-0.2902 0.3601 ( 7804 PWs) bands (ev): -36.3442 -36.3442 -36.1124 -36.1124 -36.1115 -36.1115 -17.6111 -17.6111 -17.3758 -17.3758 -17.3717 -17.3717 -17.2873 -17.2873 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9262 -16.9262 -16.9221 -16.9221 -11.0578 -11.0578 -11.0194 -11.0194 -0.5225 -0.5225 -0.0762 -0.0762 0.5027 0.5027 0.5652 0.5652 0.8752 0.8752 0.9017 0.9017 1.0725 1.0725 4.4778 4.4778 5.0410 5.0410 6.0937 6.0937 6.9326 6.9326 7.0601 7.0601 7.5190 7.5190 7.7663 7.7663 8.4337 8.4338 k = 0.4929-0.2778 0.3800 ( 7802 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1115 -36.1115 -17.6111 -17.6111 -17.3758 -17.3758 -17.3717 -17.3717 -17.2873 -17.2873 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9263 -16.9263 -16.9221 -16.9221 -11.0577 -11.0577 -11.0194 -11.0194 -0.5218 -0.5218 -0.0756 -0.0756 0.5020 0.5020 0.5648 0.5648 0.8747 0.8747 0.9007 0.9007 1.0716 1.0716 4.4792 4.4792 5.0412 5.0412 6.0884 6.0884 6.9359 6.9359 7.0635 7.0635 7.5212 7.5212 7.7664 7.7664 8.4339 8.4339 k = 0.4857-0.2654 0.3999 ( 7796 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1115 -36.1115 -17.6111 -17.6111 -17.3758 -17.3758 -17.3717 -17.3717 -17.2874 -17.2874 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9263 -16.9263 -16.9221 -16.9221 -11.0573 -11.0573 -11.0193 -11.0193 -0.5196 -0.5196 -0.0740 -0.0740 0.4998 0.4998 0.5637 0.5637 0.8732 0.8732 0.8978 0.8978 1.0692 1.0692 4.4834 4.4834 5.0421 5.0421 6.0727 6.0727 6.9460 6.9460 7.0735 7.0735 7.5278 7.5278 7.7666 7.7666 8.4346 8.4346 k = 0.4786-0.2530 0.4198 ( 7796 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1115 -36.1115 -17.6112 -17.6112 -17.3759 -17.3759 -17.3717 -17.3717 -17.2875 -17.2875 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9264 -16.9264 -16.9222 -16.9222 -11.0568 -11.0568 -11.0191 -11.0191 -0.5158 -0.5158 -0.0713 -0.0713 0.4961 0.4961 0.5620 0.5620 0.8707 0.8707 0.8930 0.8930 1.0652 1.0652 4.4902 4.4902 5.0435 5.0435 6.0473 6.0473 6.9626 6.9626 7.0895 7.0895 7.5387 7.5387 7.7670 7.7670 8.4357 8.4357 k = 0.4714-0.2406 0.4397 ( 7798 PWs) bands (ev): -36.3442 -36.3442 -36.1123 -36.1123 -36.1115 -36.1115 -17.6112 -17.6112 -17.3759 -17.3759 -17.3718 -17.3718 -17.2876 -17.2876 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9266 -16.9266 -16.9224 -16.9224 -11.0559 -11.0559 -11.0188 -11.0188 -0.5107 -0.5107 -0.0676 -0.0676 0.4909 0.4909 0.5594 0.5594 0.8674 0.8674 0.8865 0.8865 1.0598 1.0598 4.4997 4.4997 5.0454 5.0454 6.0131 6.0131 6.9857 6.9857 7.1108 7.1108 7.5536 7.5536 7.7675 7.7675 8.4375 8.4376 k = 0.4643-0.2282 0.4597 ( 7788 PWs) bands (ev): -36.3441 -36.3441 -36.1123 -36.1123 -36.1115 -36.1115 -17.6113 -17.6113 -17.3759 -17.3759 -17.3718 -17.3718 -17.2877 -17.2877 -17.0795 -17.0795 -17.0217 -17.0217 -17.0162 -17.0162 -16.9268 -16.9268 -16.9225 -16.9225 -11.0549 -11.0549 -11.0185 -11.0185 -0.5040 -0.5040 -0.0628 -0.0628 0.4839 0.4839 0.5562 0.5562 0.8632 0.8632 0.8783 0.8783 1.0534 1.0534 4.5116 4.5116 5.0478 5.0478 5.9714 5.9714 7.0151 7.0151 7.1366 7.1366 7.5725 7.5725 7.7681 7.7681 8.4403 8.4403 k = 0.4571-0.2158 0.4796 ( 7794 PWs) bands (ev): -36.3441 -36.3441 -36.1123 -36.1123 -36.1115 -36.1115 -17.6114 -17.6114 -17.3759 -17.3759 -17.3719 -17.3719 -17.2879 -17.2879 -17.0795 -17.0795 -17.0218 -17.0218 -17.0162 -17.0162 -16.9271 -16.9271 -16.9227 -16.9227 -11.0536 -11.0536 -11.0181 -11.0181 -0.4960 -0.4960 -0.0572 -0.0572 0.4753 0.4753 0.5522 0.5522 0.8581 0.8581 0.8687 0.8687 1.0460 1.0460 4.5258 4.5258 5.0508 5.0508 5.9234 5.9234 7.0506 7.0506 7.1659 7.1659 7.5949 7.5949 7.7689 7.7689 8.4440 8.4440 k = 0.4500-0.2034 0.4995 ( 7800 PWs) bands (ev): -36.3441 -36.3441 -36.1123 -36.1123 -36.1115 -36.1115 -17.6115 -17.6115 -17.3760 -17.3760 -17.3719 -17.3719 -17.2881 -17.2881 -17.0795 -17.0795 -17.0218 -17.0218 -17.0162 -17.0162 -16.9274 -16.9274 -16.9230 -16.9230 -11.0522 -11.0522 -11.0177 -11.0177 -0.4866 -0.4866 -0.0506 -0.0506 0.4648 0.4648 0.5474 0.5474 0.8520 0.8520 0.8583 0.8583 1.0379 1.0379 4.5422 4.5422 5.0542 5.0542 5.8700 5.8700 7.0918 7.0918 7.1979 7.1979 7.6207 7.6207 7.7698 7.7698 8.4490 8.4490 k = 0.4429-0.1910 0.5194 ( 7800 PWs) bands (ev): -36.3441 -36.3441 -36.1123 -36.1123 -36.1115 -36.1115 -17.6117 -17.6117 -17.3760 -17.3760 -17.3720 -17.3720 -17.2883 -17.2883 -17.0795 -17.0795 -17.0218 -17.0218 -17.0162 -17.0162 -16.9277 -16.9277 -16.9232 -16.9232 -11.0505 -11.0505 -11.0172 -11.0172 -0.4758 -0.4758 -0.0433 -0.0433 0.4524 0.4524 0.5419 0.5419 0.8429 0.8429 0.8492 0.8492 1.0294 1.0294 4.5603 4.5603 5.0582 5.0582 5.8124 5.8124 7.1385 7.1385 7.2318 7.2318 7.6497 7.6497 7.7709 7.7709 8.4550 8.4550 k = 0.4357-0.1786 0.5393 ( 7804 PWs) bands (ev): -36.3441 -36.3441 -36.1123 -36.1123 -36.1115 -36.1115 -17.6118 -17.6118 -17.3761 -17.3761 -17.3721 -17.3721 -17.2885 -17.2885 -17.0795 -17.0795 -17.0218 -17.0218 -17.0163 -17.0163 -16.9281 -16.9281 -16.9235 -16.9235 -11.0487 -11.0487 -11.0166 -11.0166 -0.4638 -0.4638 -0.0354 -0.0354 0.4381 0.4381 0.5356 0.5356 0.8305 0.8305 0.8423 0.8423 1.0206 1.0206 4.5801 4.5801 5.0625 5.0625 5.7514 5.7514 7.1902 7.1902 7.2671 7.2671 7.6815 7.6815 7.7720 7.7720 8.4620 8.4620 k = 0.4286-0.1662 0.5592 ( 7804 PWs) bands (ev): -36.3441 -36.3441 -36.1122 -36.1122 -36.1114 -36.1114 -17.6120 -17.6120 -17.3761 -17.3761 -17.3722 -17.3722 -17.2888 -17.2888 -17.0795 -17.0795 -17.0218 -17.0218 -17.0163 -17.0163 -16.9284 -16.9284 -16.9239 -16.9239 -11.0467 -11.0467 -11.0160 -11.0160 -0.4505 -0.4505 -0.0269 -0.0269 0.4219 0.4219 0.5285 0.5285 0.8170 0.8170 0.8357 0.8357 1.0117 1.0117 4.6014 4.6014 5.0674 5.0674 5.6879 5.6879 7.2463 7.2463 7.3031 7.3031 7.7160 7.7160 7.7733 7.7733 8.4696 8.4696 k = 0.4214-0.1538 0.5792 ( 7798 PWs) bands (ev): -36.3440 -36.3440 -36.1122 -36.1122 -36.1114 -36.1114 -17.6121 -17.6121 -17.3761 -17.3761 -17.3723 -17.3723 -17.2891 -17.2891 -17.0795 -17.0795 -17.0218 -17.0218 -17.0163 -17.0163 -16.9288 -16.9288 -16.9242 -16.9242 -11.0445 -11.0445 -11.0154 -11.0154 -0.4361 -0.4361 -0.0180 -0.0180 0.4041 0.4041 0.5206 0.5206 0.8030 0.8030 0.8293 0.8293 1.0027 1.0027 4.6238 4.6238 5.0726 5.0726 5.6226 5.6226 7.3058 7.3058 7.3398 7.3398 7.7526 7.7526 7.7749 7.7749 8.4771 8.4772 k = 0.4143-0.1414 0.5991 ( 7798 PWs) bands (ev): -36.3440 -36.3440 -36.1122 -36.1122 -36.1114 -36.1114 -17.6123 -17.6123 -17.3762 -17.3762 -17.3724 -17.3724 -17.2894 -17.2894 -17.0795 -17.0795 -17.0218 -17.0218 -17.0163 -17.0163 -16.9293 -16.9293 -16.9246 -16.9246 -11.0422 -11.0422 -11.0147 -11.0147 -0.4205 -0.4205 -0.0091 -0.0091 0.3847 0.3847 0.5120 0.5120 0.7888 0.7888 0.8231 0.8231 0.9938 0.9938 4.6471 4.6471 5.0783 5.0783 5.5561 5.5561 7.3641 7.3641 7.3809 7.3809 7.7750 7.7750 7.7928 7.7928 8.4831 8.4840 k = 0.4071-0.1290 0.6190 ( 7804 PWs) bands (ev): -36.3440 -36.3440 -36.1122 -36.1122 -36.1114 -36.1114 -17.6125 -17.6125 -17.3762 -17.3762 -17.3725 -17.3725 -17.2897 -17.2897 -17.0795 -17.0795 -17.0219 -17.0219 -17.0164 -17.0164 -16.9297 -16.9297 -16.9250 -16.9250 -11.0398 -11.0398 -11.0140 -11.0140 -0.4040 -0.4040 -0.0003 -0.0003 0.3642 0.3642 0.5027 0.5027 0.7748 0.7748 0.8170 0.8170 0.9849 0.9849 4.6712 4.6712 5.0844 5.0844 5.4891 5.4891 7.4055 7.4055 7.4407 7.4407 7.7768 7.7768 7.8326 7.8326 8.4771 8.4810 k = 0.4000-0.1165 0.6389 ( 7804 PWs) bands (ev): -36.3440 -36.3440 -36.1122 -36.1122 -36.1114 -36.1114 -17.6127 -17.6127 -17.3763 -17.3763 -17.3726 -17.3726 -17.2900 -17.2900 -17.0795 -17.0795 -17.0219 -17.0219 -17.0164 -17.0164 -16.9302 -16.9302 -16.9254 -16.9254 -11.0374 -11.0374 -11.0132 -11.0132 -0.3865 -0.3865 0.0081 0.0081 0.3430 0.3430 0.4928 0.4928 0.7612 0.7612 0.8110 0.8110 0.9761 0.9761 4.6957 4.6957 5.0908 5.0908 5.4219 5.4219 7.4401 7.4401 7.5081 7.5081 7.7785 7.7785 7.8735 7.8735 8.4592 8.4606 k = 0.3929-0.1041 0.6588 ( 7802 PWs) bands (ev): -36.3440 -36.3440 -36.1121 -36.1121 -36.1113 -36.1113 -17.6130 -17.6130 -17.3763 -17.3763 -17.3727 -17.3727 -17.2903 -17.2903 -17.0795 -17.0795 -17.0219 -17.0219 -17.0164 -17.0164 -16.9306 -16.9306 -16.9258 -16.9258 -11.0348 -11.0348 -11.0125 -11.0125 -0.3682 -0.3682 0.0156 0.0156 0.3215 0.3215 0.4825 0.4825 0.7481 0.7481 0.8053 0.8053 0.9674 0.9674 4.7205 4.7205 5.0976 5.0976 5.3552 5.3552 7.4727 7.4727 7.5767 7.5767 7.7807 7.7807 7.9141 7.9141 8.4386 8.4391 k = 0.3857-0.0917 0.6787 ( 7812 PWs) bands (ev): -36.3439 -36.3439 -36.1121 -36.1121 -36.1113 -36.1113 -17.6132 -17.6132 -17.3764 -17.3764 -17.3729 -17.3729 -17.2907 -17.2907 -17.0795 -17.0795 -17.0219 -17.0219 -17.0165 -17.0165 -16.9311 -16.9311 -16.9262 -16.9262 -11.0322 -11.0322 -11.0117 -11.0117 -0.3492 -0.3492 0.0217 0.0217 0.3005 0.3005 0.4720 0.4720 0.7356 0.7356 0.7998 0.7998 0.9588 0.9588 4.7454 4.7454 5.1048 5.1048 5.2893 5.2893 7.5039 7.5039 7.6439 7.6439 7.7846 7.7846 7.9532 7.9532 8.4176 8.4177 k = 0.3786-0.0793 0.6987 ( 7810 PWs) bands (ev): -36.3439 -36.3439 -36.1121 -36.1121 -36.1113 -36.1113 -17.6134 -17.6134 -17.3764 -17.3764 -17.3730 -17.3730 -17.2910 -17.2910 -17.0795 -17.0795 -17.0220 -17.0220 -17.0165 -17.0165 -16.9316 -16.9316 -16.9266 -16.9266 -11.0295 -11.0295 -11.0109 -11.0109 -0.3297 -0.3297 0.0258 0.0258 0.2806 0.2806 0.4616 0.4616 0.7239 0.7239 0.7944 0.7944 0.9502 0.9502 4.7700 4.7700 5.1122 5.1122 5.2247 5.2247 7.5336 7.5336 7.7036 7.7036 7.7948 7.7948 7.9893 7.9893 8.3973 8.3973 k = 0.3714-0.0669 0.7186 ( 7808 PWs) bands (ev): -36.3439 -36.3439 -36.1121 -36.1121 -36.1113 -36.1113 -17.6136 -17.6136 -17.3765 -17.3765 -17.3732 -17.3732 -17.2913 -17.2913 -17.0795 -17.0795 -17.0220 -17.0220 -17.0165 -17.0165 -16.9321 -16.9321 -16.9270 -16.9270 -11.0268 -11.0268 -11.0101 -11.0101 -0.3097 -0.3097 0.0273 0.0273 0.2625 0.2625 0.4517 0.4517 0.7128 0.7128 0.7891 0.7891 0.9416 0.9416 4.7944 4.7944 5.1198 5.1198 5.1618 5.1618 7.5619 7.5619 7.7413 7.7413 7.8248 7.8248 8.0207 8.0207 8.3788 8.3788 k = 0.3643-0.0545 0.7385 ( 7812 PWs) bands (ev): -36.3439 -36.3439 -36.1120 -36.1120 -36.1112 -36.1112 -17.6139 -17.6139 -17.3765 -17.3765 -17.3733 -17.3733 -17.2917 -17.2917 -17.0795 -17.0795 -17.0220 -17.0220 -17.0166 -17.0166 -16.9325 -16.9325 -16.9275 -16.9275 -11.0241 -11.0241 -11.0093 -11.0093 -0.2894 -0.2894 0.0256 0.0256 0.2468 0.2468 0.4426 0.4426 0.7023 0.7023 0.7839 0.7839 0.9332 0.9332 4.8182 4.8182 5.1001 5.1001 5.1283 5.1283 7.5889 7.5889 7.7538 7.7538 7.8758 7.8758 8.0460 8.0460 8.3633 8.3633 k = 0.3571-0.0421 0.7584 ( 7812 PWs) bands (ev): -36.3438 -36.3438 -36.1120 -36.1120 -36.1112 -36.1112 -17.6141 -17.6141 -17.3766 -17.3766 -17.3735 -17.3735 -17.2920 -17.2920 -17.0795 -17.0795 -17.0220 -17.0220 -17.0166 -17.0166 -16.9330 -16.9330 -16.9279 -16.9279 -11.0215 -11.0215 -11.0085 -11.0085 -0.2691 -0.2691 0.0203 0.0203 0.2341 0.2341 0.4347 0.4347 0.6926 0.6926 0.7788 0.7788 0.9247 0.9247 4.8412 4.8412 5.0414 5.0414 5.1362 5.1362 7.6147 7.6147 7.7567 7.7567 7.9304 7.9304 8.0642 8.0642 8.3524 8.3524 k = 0.3500-0.0297 0.7783 ( 7818 PWs) bands (ev): -36.3438 -36.3438 -36.1120 -36.1120 -36.1112 -36.1112 -17.6143 -17.6143 -17.3766 -17.3766 -17.3736 -17.3736 -17.2923 -17.2923 -17.0795 -17.0795 -17.0221 -17.0221 -17.0167 -17.0167 -16.9335 -16.9335 -16.9283 -16.9283 -11.0189 -11.0189 -11.0077 -11.0077 -0.2489 -0.2489 0.0116 0.0116 0.2241 0.2241 0.4284 0.4284 0.6834 0.6834 0.7737 0.7737 0.9164 0.9164 4.8634 4.8634 4.9850 4.9850 5.1445 5.1445 7.6392 7.6392 7.7564 7.7564 7.9799 7.9799 8.0754 8.0754 8.3477 8.3477 k = 0.3429-0.0173 0.7982 ( 7804 PWs) bands (ev): -36.3438 -36.3438 -36.1120 -36.1120 -36.1112 -36.1112 -17.6145 -17.6145 -17.3766 -17.3766 -17.3737 -17.3737 -17.2926 -17.2926 -17.0794 -17.0794 -17.0221 -17.0221 -17.0167 -17.0167 -16.9339 -16.9339 -16.9287 -16.9287 -11.0164 -11.0164 -11.0070 -11.0070 -0.2290 -0.2290 -0.0000 -0.0000 0.2166 0.2166 0.4239 0.4239 0.6747 0.6747 0.7686 0.7686 0.9081 0.9081 4.8845 4.8845 4.9314 4.9314 5.1528 5.1528 7.6627 7.6627 7.7547 7.7547 8.0203 8.0203 8.0802 8.0802 8.3508 8.3508 k = 0.3357-0.0049 0.8182 ( 7800 PWs) bands (ev): -36.3438 -36.3438 -36.1119 -36.1119 -36.1111 -36.1111 -17.6148 -17.6148 -17.3766 -17.3766 -17.3739 -17.3739 -17.2929 -17.2929 -17.0794 -17.0794 -17.0221 -17.0221 -17.0167 -17.0167 -16.9343 -16.9343 -16.9290 -16.9290 -11.0140 -11.0140 -11.0062 -11.0062 -0.2098 -0.2098 -0.0137 -0.0137 0.2109 0.2109 0.4215 0.4215 0.6665 0.6665 0.7634 0.7634 0.9000 0.9000 4.8804 4.8804 4.9049 4.9049 5.1611 5.1611 7.6849 7.6849 7.7522 7.7522 8.0497 8.0497 8.0801 8.0801 8.3618 8.3618 k = 0.3286 0.0075 0.8381 ( 7794 PWs) bands (ev): -36.3437 -36.3437 -36.1119 -36.1119 -36.1111 -36.1111 -17.6150 -17.6150 -17.3767 -17.3767 -17.3740 -17.3740 -17.2932 -17.2932 -17.0794 -17.0794 -17.0222 -17.0222 -17.0168 -17.0168 -16.9347 -16.9347 -16.9294 -16.9294 -11.0117 -11.0117 -11.0056 -11.0056 -0.1916 -0.1916 -0.0284 -0.0284 0.2064 0.2064 0.4210 0.4210 0.6589 0.6589 0.7583 0.7583 0.8920 0.8920 4.8332 4.8332 4.9235 4.9235 5.1692 5.1692 7.7058 7.7058 7.7497 7.7497 8.0662 8.0662 8.0788 8.0788 8.3785 8.3785 k = 0.3214 0.0199 0.8580 ( 7794 PWs) bands (ev): -36.3437 -36.3437 -36.1119 -36.1119 -36.1111 -36.1111 -17.6152 -17.6152 -17.3767 -17.3767 -17.3741 -17.3741 -17.2934 -17.2934 -17.0794 -17.0794 -17.0222 -17.0222 -17.0168 -17.0168 -16.9351 -16.9351 -16.9297 -16.9297 -11.0095 -11.0095 -11.0049 -11.0049 -0.1747 -0.1747 -0.0432 -0.0432 0.2027 0.2027 0.4224 0.4224 0.6517 0.6517 0.7532 0.7532 0.8842 0.8842 4.7892 4.7892 4.9409 4.9409 5.1771 5.1771 7.7240 7.7240 7.7487 7.7487 8.0641 8.0641 8.0855 8.0855 8.3974 8.3974 k = 0.3143 0.0323 0.8779 ( 7796 PWs) bands (ev): -36.3437 -36.3437 -36.1119 -36.1119 -36.1111 -36.1111 -17.6153 -17.6153 -17.3767 -17.3767 -17.3743 -17.3743 -17.2937 -17.2937 -17.0794 -17.0794 -17.0222 -17.0222 -17.0168 -17.0168 -16.9354 -16.9354 -16.9300 -16.9300 -11.0075 -11.0075 -11.0043 -11.0043 -0.1598 -0.1598 -0.0571 -0.0571 0.1995 0.1995 0.4253 0.4253 0.6451 0.6451 0.7481 0.7481 0.8767 0.8767 4.7488 4.7488 4.9568 4.9568 5.1847 5.1847 7.7333 7.7333 7.7557 7.7557 8.0549 8.0549 8.0923 8.0923 8.4143 8.4143 k = 0.3071 0.0447 0.8978 ( 7792 PWs) bands (ev): -36.3437 -36.3437 -36.1119 -36.1119 -36.1111 -36.1111 -17.6155 -17.6155 -17.3767 -17.3767 -17.3744 -17.3744 -17.2939 -17.2939 -17.0794 -17.0794 -17.0222 -17.0222 -17.0169 -17.0169 -16.9357 -16.9357 -16.9303 -16.9303 -11.0056 -11.0056 -11.0037 -11.0037 -0.1478 -0.1478 -0.0688 -0.0688 0.1969 0.1969 0.4293 0.4293 0.6390 0.6390 0.7432 0.7432 0.8696 0.8696 4.7123 4.7123 4.9713 4.9713 5.1918 5.1918 7.7329 7.7329 7.7717 7.7717 8.0436 8.0436 8.0974 8.0974 8.4258 8.4258 k = 0.3000 0.0571 0.9177 ( 7802 PWs) bands (ev): -36.3437 -36.3437 -36.1118 -36.1118 -36.1111 -36.1111 -17.6157 -17.6157 -17.3767 -17.3767 -17.3745 -17.3745 -17.2941 -17.2941 -17.0794 -17.0794 -17.0223 -17.0223 -17.0169 -17.0169 -16.9360 -16.9360 -16.9306 -16.9306 -11.0039 -11.0039 -11.0032 -11.0032 -0.1401 -0.1401 -0.0769 -0.0769 0.1948 0.1948 0.4340 0.4340 0.6335 0.6335 0.7384 0.7384 0.8629 0.8629 4.6796 4.6796 4.9842 4.9842 5.1983 5.1983 7.7302 7.7302 7.7894 7.7894 8.0311 8.0311 8.1019 8.1019 8.4301 8.4301 k = 0.2929 0.0695 0.9377 ( 7798 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6158 -17.6158 -17.3767 -17.3767 -17.3746 -17.3746 -17.2943 -17.2943 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9362 -16.9362 -16.9308 -16.9308 -11.0028 -11.0028 -11.0024 -11.0024 -0.1378 -0.1378 -0.0798 -0.0798 0.1934 0.1934 0.4388 0.4388 0.6288 0.6288 0.7339 0.7339 0.8568 0.8568 4.6511 4.6511 4.9955 4.9955 5.2041 5.2041 7.7272 7.7272 7.8069 7.8069 8.0179 8.0179 8.1065 8.1065 8.4273 8.4273 k = 0.2857 0.0819 0.9576 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6159 -17.6159 -17.3767 -17.3767 -17.3747 -17.3747 -17.2945 -17.2945 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9365 -16.9365 -16.9310 -16.9310 -11.0024 -11.0024 -11.0011 -11.0011 -0.1403 -0.1403 -0.0782 -0.0782 0.1925 0.1925 0.4435 0.4435 0.6249 0.6249 0.7298 0.7298 0.8514 0.8514 4.6267 4.6267 5.0052 5.0052 5.2092 5.2092 7.7244 7.7244 7.8239 7.8239 8.0043 8.0043 8.1116 8.1116 8.4187 8.4187 k = 0.2786 0.0943 0.9775 ( 7802 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3767 -17.3767 -17.3747 -17.3747 -17.2946 -17.2946 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9366 -16.9366 -16.9311 -16.9311 -11.0021 -11.0021 -11.0001 -11.0001 -0.1450 -0.1450 -0.0746 -0.0746 0.1921 0.1921 0.4476 0.4476 0.6218 0.6218 0.7261 0.7261 0.8468 0.8468 4.6067 4.6067 5.0131 5.0131 5.2134 5.2134 7.7220 7.7220 7.8402 7.8402 7.9908 7.9908 8.1171 8.1171 8.4069 8.4069 k = 0.2714 0.1067 0.9974 ( 7794 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3767 -17.3767 -17.3748 -17.3748 -17.2947 -17.2947 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9368 -16.9368 -16.9313 -16.9313 -11.0019 -11.0019 -10.9992 -10.9992 -0.1499 -0.1499 -0.0707 -0.0707 0.1921 0.1921 0.4510 0.4510 0.6194 0.6194 0.7230 0.7230 0.8430 0.8430 4.5910 4.5910 5.0194 5.0194 5.2168 5.2168 7.7201 7.7201 7.8553 7.8553 7.9776 7.9776 8.1226 8.1226 8.3943 8.3943 k = 0.2643 0.1191 1.0173 ( 7790 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6161 -17.6161 -17.3767 -17.3767 -17.3748 -17.3748 -17.2947 -17.2947 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9368 -16.9368 -16.9313 -16.9313 -11.0017 -11.0017 -10.9986 -10.9986 -0.1539 -0.1539 -0.0675 -0.0675 0.1923 0.1923 0.4535 0.4535 0.6179 0.6179 0.7207 0.7207 0.8403 0.8403 4.5797 4.5797 5.0238 5.0238 5.2192 5.2192 7.7186 7.7186 7.8685 7.8685 7.9658 7.9658 8.1274 8.1274 8.3832 8.3832 k = 0.2571 0.1315 1.0373 ( 7792 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0223 -17.0223 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0016 -11.0016 -10.9983 -10.9983 -0.1564 -0.1564 -0.0656 -0.0656 0.1925 0.1925 0.4550 0.4550 0.6170 0.6170 0.7192 0.7192 0.8386 0.8386 4.5729 4.5729 5.0265 5.0265 5.2207 5.2207 7.7178 7.7178 7.8783 7.8783 7.9568 7.9568 8.1308 8.1308 8.3757 8.3757 k = 0.2500 0.1440 1.0572 ( 7792 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6162 -17.6162 -17.3767 -17.3767 -17.3749 -17.3749 -17.2948 -17.2948 -17.0794 -17.0794 -17.0224 -17.0224 -17.0170 -17.0170 -16.9369 -16.9369 -16.9314 -16.9314 -11.0015 -11.0015 -10.9982 -10.9982 -0.1573 -0.1573 -0.0649 -0.0649 0.1926 0.1926 0.4555 0.4555 0.6167 0.6167 0.7187 0.7187 0.8380 0.8380 4.5707 4.5707 5.0274 5.0274 5.2211 5.2211 7.7175 7.7175 7.8821 7.8821 7.9532 7.9532 8.1320 8.1320 8.3731 8.3731 k = 0.0829-0.1440 1.0572 ( 7810 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1110 -36.1110 -17.6160 -17.6160 -17.3762 -17.3762 -17.3747 -17.3747 -17.2946 -17.2946 -17.0793 -17.0793 -17.0218 -17.0218 -17.0170 -17.0170 -16.9365 -16.9365 -16.9314 -16.9314 -11.0079 -11.0079 -11.0005 -11.0005 -0.1581 -0.1581 -0.0193 -0.0193 0.1182 0.1182 0.5058 0.5058 0.6108 0.6108 0.7741 0.7741 0.8443 0.8443 4.5909 4.5909 5.0860 5.0860 5.2506 5.2506 7.5054 7.5054 7.6822 7.6822 7.8087 7.8087 8.1430 8.1430 8.4902 8.4902 k = 0.0900-0.1564 1.0372 ( 7820 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6159 -17.6159 -17.3761 -17.3761 -17.3747 -17.3747 -17.2945 -17.2945 -17.0794 -17.0794 -17.0217 -17.0217 -17.0171 -17.0171 -16.9363 -16.9363 -16.9313 -16.9313 -11.0089 -11.0089 -11.0008 -11.0008 -0.1484 -0.1484 -0.0197 -0.0197 0.1005 0.1005 0.5069 0.5069 0.6204 0.6204 0.7786 0.7786 0.8469 0.8469 4.6117 4.6117 5.0783 5.0783 5.2442 5.2442 7.5078 7.5078 7.6936 7.6936 7.8064 7.8064 8.1068 8.1068 8.5062 8.5063 k = 0.0972-0.1688 1.0173 ( 7824 PWs) bands (ev): -36.3436 -36.3436 -36.1118 -36.1118 -36.1111 -36.1111 -17.6158 -17.6158 -17.3761 -17.3761 -17.3747 -17.3747 -17.2944 -17.2944 -17.0794 -17.0794 -17.0216 -17.0216 -17.0171 -17.0171 -16.9361 -16.9361 -16.9311 -16.9311 -11.0099 -11.0099 -11.0014 -11.0014 -0.1390 -0.1390 -0.0221 -0.0221 0.0864 0.0864 0.5083 0.5083 0.6297 0.6297 0.7822 0.7822 0.8508 0.8508 4.6369 4.6369 5.0692 5.0692 5.2370 5.2370 7.5109 7.5109 7.7037 7.7037 7.8008 7.8008 8.0729 8.0729 8.5242 8.5250 k = 0.1044-0.1812 0.9973 ( 7817 PWs) bands (ev): -36.3437 -36.3437 -36.1118 -36.1118 -36.1111 -36.1111 -17.6157 -17.6157 -17.3761 -17.3761 -17.3746 -17.3746 -17.2942 -17.2942 -17.0794 -17.0794 -17.0216 -17.0216 -17.0171 -17.0171 -16.9358 -16.9358 -16.9309 -16.9309 -11.0110 -11.0110 -11.0023 -11.0023 -0.1316 -0.1316 -0.0264 -0.0264 0.0778 0.0778 0.5099 0.5099 0.6386 0.6386 0.7849 0.7849 0.8560 0.8560 4.6663 4.6663 5.0587 5.0587 5.2289 5.2289 7.5145 7.5145 7.7110 7.7110 7.7917 7.7917 8.0432 8.0432 8.5408 8.5428 k = 0.1115-0.1936 0.9774 ( 7802 PWs) bands (ev): -36.3437 -36.3437 -36.1118 -36.1118 -36.1111 -36.1111 -17.6155 -17.6155 -17.3760 -17.3760 -17.3745 -17.3745 -17.2940 -17.2940 -17.0794 -17.0794 -17.0215 -17.0215 -17.0171 -17.0171 -16.9354 -16.9354 -16.9307 -16.9307 -11.0121 -11.0121 -11.0033 -11.0033 -0.1292 -0.1292 -0.0303 -0.0303 0.0755 0.0755 0.5116 0.5116 0.6473 0.6473 0.7870 0.7870 0.8622 0.8622 4.6998 4.6998 5.0470 5.0470 5.2201 5.2201 7.5179 7.5179 7.7136 7.7136 7.7795 7.7795 8.0201 8.0201 8.5089 8.5089 k = 0.1187-0.2061 0.9574 ( 7802 PWs) bands (ev): -36.3437 -36.3437 -36.1118 -36.1118 -36.1111 -36.1111 -17.6153 -17.6153 -17.3760 -17.3760 -17.3744 -17.3744 -17.2937 -17.2937 -17.0794 -17.0794 -17.0214 -17.0214 -17.0171 -17.0171 -16.9351 -16.9351 -16.9304 -16.9304 -11.0133 -11.0133 -11.0045 -11.0045 -0.1351 -0.1351 -0.0296 -0.0296 0.0786 0.0786 0.5133 0.5133 0.6559 0.6559 0.7886 0.7886 0.8693 0.8693 4.7371 4.7371 5.0343 5.0343 5.2105 5.2105 7.5203 7.5203 7.7094 7.7094 7.7645 7.7645 8.0056 8.0056 8.4748 8.4748 k = 0.1258-0.2185 0.9375 ( 7802 PWs) bands (ev): -36.3437 -36.3437 -36.1118 -36.1118 -36.1112 -36.1112 -17.6151 -17.6151 -17.3759 -17.3759 -17.3743 -17.3743 -17.2935 -17.2935 -17.0794 -17.0794 -17.0213 -17.0213 -17.0172 -17.0172 -16.9347 -16.9347 -16.9302 -16.9302 -11.0146 -11.0146 -11.0059 -11.0059 -0.1499 -0.1499 -0.0225 -0.0225 0.0859 0.0859 0.5149 0.5149 0.6643 0.6643 0.7899 0.7899 0.8769 0.8769 4.7778 4.7778 5.0209 5.0209 5.2003 5.2003 7.5207 7.5207 7.6973 7.6973 7.7475 7.7475 8.0011 8.0011 8.4394 8.4394 k = 0.1330-0.2309 0.9175 ( 7797 PWs) bands (ev): -36.3437 -36.3437 -36.1118 -36.1118 -36.1112 -36.1112 -17.6149 -17.6149 -17.3758 -17.3758 -17.3742 -17.3742 -17.2932 -17.2932 -17.0794 -17.0794 -17.0212 -17.0212 -17.0172 -17.0172 -16.9343 -16.9343 -16.9299 -16.9299 -11.0158 -11.0158 -11.0075 -11.0075 -0.1710 -0.1710 -0.0107 -0.0107 0.0964 0.0964 0.5165 0.5165 0.6727 0.6727 0.7910 0.7910 0.8849 0.8849 4.8214 4.8214 5.0074 5.0074 5.1895 5.1895 7.5177 7.5177 7.6779 7.6779 7.7294 7.7294 8.0060 8.0060 8.4035 8.4035 k = 0.1401-0.2433 0.8976 ( 7799 PWs) bands (ev): -36.3438 -36.3438 -36.1119 -36.1119 -36.1112 -36.1112 -17.6147 -17.6147 -17.3758 -17.3758 -17.3741 -17.3741 -17.2929 -17.2929 -17.0794 -17.0794 -17.0211 -17.0211 -17.0172 -17.0172 -16.9339 -16.9339 -16.9295 -16.9295 -11.0171 -11.0171 -11.0092 -11.0092 -0.1958 -0.1958 0.0037 0.0037 0.1097 0.1097 0.5179 0.5179 0.6813 0.6813 0.7920 0.7920 0.8932 0.8932 4.8664 4.8664 4.9950 4.9950 5.1782 5.1782 7.5099 7.5099 7.6527 7.6527 7.7112 7.7112 8.0189 8.0189 8.3680 8.3680 k = 0.1473-0.2558 0.8776 ( 7803 PWs) bands (ev): -36.3438 -36.3438 -36.1119 -36.1119 -36.1112 -36.1112 -17.6145 -17.6145 -17.3757 -17.3757 -17.3740 -17.3740 -17.2927 -17.2927 -17.0794 -17.0794 -17.0210 -17.0210 -17.0172 -17.0172 -16.9335 -16.9335 -16.9292 -16.9292 -11.0184 -11.0184 -11.0110 -11.0110 -0.2226 -0.2226 0.0190 0.0190 0.1254 0.1254 0.5193 0.5193 0.6901 0.6901 0.7930 0.7930 0.9017 0.9017 4.9077 4.9077 4.9890 4.9890 5.1665 5.1665 7.4960 7.4960 7.6235 7.6235 7.6937 7.6937 8.0376 8.0376 8.3339 8.3339 k = 0.1544-0.2682 0.8577 ( 7805 PWs) bands (ev): -36.3438 -36.3438 -36.1119 -36.1119 -36.1113 -36.1113 -17.6143 -17.6143 -17.3757 -17.3757 -17.3739 -17.3739 -17.2923 -17.2923 -17.0794 -17.0794 -17.0210 -17.0210 -17.0172 -17.0172 -16.9330 -16.9330 -16.9288 -16.9288 -11.0197 -11.0197 -11.0130 -11.0130 -0.2504 -0.2504 0.0341 0.0341 0.1434 0.1434 0.5206 0.5206 0.6993 0.6993 0.7940 0.7940 0.9103 0.9103 4.9274 4.9274 5.0070 5.0070 5.1543 5.1543 7.4753 7.4753 7.5917 7.5917 7.6770 7.6770 8.0606 8.0606 8.3023 8.3023 k = 0.1616-0.2806 0.8377 ( 7802 PWs) bands (ev): -36.3438 -36.3438 -36.1119 -36.1119 -36.1113 -36.1113 -17.6141 -17.6141 -17.3756 -17.3756 -17.3738 -17.3738 -17.2920 -17.2920 -17.0794 -17.0794 -17.0209 -17.0209 -17.0172 -17.0172 -16.9325 -16.9325 -16.9285 -16.9285 -11.0210 -11.0210 -11.0150 -11.0150 -0.2784 -0.2784 0.0484 0.0484 0.1635 0.1635 0.5218 0.5218 0.7090 0.7090 0.7951 0.7951 0.9190 0.9190 4.9218 4.9218 5.0525 5.0525 5.1419 5.1419 7.4479 7.4479 7.5582 7.5582 7.6605 7.6605 8.0865 8.0865 8.2743 8.2743 k = 0.1687-0.2930 0.8178 ( 7794 PWs) bands (ev): -36.3438 -36.3438 -36.1119 -36.1119 -36.1113 -36.1113 -17.6138 -17.6138 -17.3755 -17.3755 -17.3737 -17.3737 -17.2917 -17.2917 -17.0794 -17.0794 -17.0208 -17.0208 -17.0172 -17.0172 -16.9320 -16.9320 -16.9281 -16.9281 -11.0223 -11.0223 -11.0172 -11.0172 -0.3063 -0.3063 0.0617 0.0617 0.1854 0.1854 0.5229 0.5229 0.7193 0.7193 0.7964 0.7964 0.9278 0.9278 4.9080 4.9080 5.1081 5.1081 5.1294 5.1294 7.4148 7.4148 7.5238 7.5238 7.6428 7.6428 8.1144 8.1144 8.2508 8.2508 k = 0.1759-0.3055 0.7978 ( 7798 PWs) bands (ev): -36.3439 -36.3439 -36.1120 -36.1120 -36.1114 -36.1114 -17.6136 -17.6136 -17.3754 -17.3754 -17.3736 -17.3736 -17.2914 -17.2914 -17.0794 -17.0794 -17.0207 -17.0207 -17.0172 -17.0172 -16.9315 -16.9315 -16.9277 -16.9277 -11.0236 -11.0236 -11.0193 -11.0193 -0.3339 -0.3339 0.0736 0.0736 0.2085 0.2085 0.5240 0.5240 0.7301 0.7301 0.7978 0.7978 0.9366 0.9366 4.8920 4.8920 5.1162 5.1162 5.1685 5.1685 7.3767 7.3767 7.4888 7.4888 7.6229 7.6229 8.1435 8.1435 8.2324 8.2324 k = 0.1830-0.3179 0.7779 ( 7789 PWs) bands (ev): -36.3439 -36.3439 -36.1120 -36.1120 -36.1114 -36.1114 -17.6134 -17.6134 -17.3753 -17.3753 -17.3735 -17.3735 -17.2910 -17.2910 -17.0794 -17.0794 -17.0207 -17.0207 -17.0172 -17.0172 -16.9310 -16.9310 -16.9273 -16.9273 -11.0249 -11.0249 -11.0215 -11.0215 -0.3608 -0.3608 0.0843 0.0843 0.2326 0.2326 0.5250 0.5250 0.7416 0.7416 0.7995 0.7995 0.9454 0.9454 4.8751 4.8751 5.1034 5.1034 5.2310 5.2310 7.3348 7.3348 7.4536 7.4536 7.6001 7.6001 8.1730 8.1730 8.2195 8.2195 k = 0.1902-0.3303 0.7580 ( 7785 PWs) bands (ev): -36.3439 -36.3439 -36.1120 -36.1120 -36.1114 -36.1114 -17.6131 -17.6131 -17.3752 -17.3752 -17.3734 -17.3734 -17.2907 -17.2907 -17.0794 -17.0794 -17.0206 -17.0206 -17.0172 -17.0172 -16.9305 -16.9305 -16.9269 -16.9269 -11.0261 -11.0261 -11.0237 -11.0237 -0.3868 -0.3868 0.0938 0.0938 0.2570 0.2570 0.5261 0.5261 0.7535 0.7535 0.8016 0.8016 0.9542 0.9542 4.8580 4.8580 5.0906 5.0906 5.2953 5.2953 7.2896 7.2896 7.4184 7.4184 7.5745 7.5745 8.1995 8.1995 8.2151 8.2151 k = 0.1974-0.3427 0.7380 ( 7780 PWs) bands (ev): -36.3440 -36.3440 -36.1120 -36.1120 -36.1114 -36.1114 -17.6129 -17.6129 -17.3751 -17.3751 -17.3733 -17.3733 -17.2903 -17.2903 -17.0794 -17.0794 -17.0205 -17.0205 -17.0172 -17.0172 -16.9300 -16.9300 -16.9265 -16.9265 -11.0274 -11.0274 -11.0259 -11.0259 -0.4119 -0.4119 0.1020 0.1020 0.2812 0.2812 0.5272 0.5272 0.7657 0.7657 0.8044 0.8044 0.9630 0.9630 4.8408 4.8408 5.0779 5.0779 5.3609 5.3609 7.2419 7.2419 7.3833 7.3833 7.5465 7.5465 8.2036 8.2036 8.2373 8.2373 k = 0.2045-0.3552 0.7181 ( 7784 PWs) bands (ev): -36.3440 -36.3440 -36.1120 -36.1120 -36.1115 -36.1115 -17.6127 -17.6127 -17.3750 -17.3750 -17.3733 -17.3733 -17.2900 -17.2900 -17.0794 -17.0794 -17.0205 -17.0205 -17.0171 -17.0171 -16.9295 -16.9295 -16.9261 -16.9261 -11.0286 -11.0286 -11.0281 -11.0281 -0.4359 -0.4359 0.1092 0.1092 0.3049 0.3049 0.5284 0.5284 0.7777 0.7777 0.8084 0.8084 0.9717 0.9717 4.8239 4.8239 5.0655 5.0655 5.4272 5.4272 7.1922 7.1922 7.3486 7.3486 7.5170 7.5170 8.2031 8.2031 8.2671 8.2671 k = 0.2117-0.3676 0.6981 ( 7788 PWs) bands (ev): -36.3440 -36.3440 -36.1121 -36.1121 -36.1115 -36.1115 -17.6125 -17.6125 -17.3749 -17.3749 -17.3732 -17.3732 -17.2897 -17.2897 -17.0794 -17.0794 -17.0205 -17.0205 -17.0172 -17.0172 -16.9290 -16.9290 -16.9257 -16.9257 -11.0302 -11.0302 -11.0297 -11.0297 -0.4587 -0.4587 0.1153 0.1153 0.3276 0.3276 0.5297 0.5297 0.7883 0.7883 0.8144 0.8144 0.9804 0.9804 4.8073 4.8073 5.0533 5.0533 5.4938 5.4938 7.1412 7.1412 7.3144 7.3144 7.4867 7.4867 8.2038 8.2038 8.2973 8.2973 k = 0.2188-0.3800 0.6782 ( 7800 PWs) bands (ev): -36.3440 -36.3440 -36.1121 -36.1121 -36.1115 -36.1115 -17.6123 -17.6123 -17.3748 -17.3748 -17.3732 -17.3732 -17.2894 -17.2894 -17.0794 -17.0794 -17.0204 -17.0204 -17.0172 -17.0172 -16.9286 -16.9286 -16.9254 -16.9254 -11.0323 -11.0323 -11.0308 -11.0308 -0.4801 -0.4801 0.1205 0.1205 0.3488 0.3488 0.5312 0.5312 0.7967 0.7967 0.8234 0.8234 0.9889 0.9889 4.7912 4.7912 5.0416 5.0416 5.5602 5.5602 7.0895 7.0895 7.2810 7.2810 7.4566 7.4566 8.2050 8.2050 8.3274 8.3274 k = 0.2260-0.3924 0.6582 ( 7794 PWs) bands (ev): -36.3440 -36.3440 -36.1121 -36.1121 -36.1116 -36.1116 -17.6121 -17.6121 -17.3747 -17.3747 -17.3731 -17.3731 -17.2891 -17.2891 -17.0794 -17.0794 -17.0204 -17.0204 -17.0172 -17.0172 -16.9281 -16.9281 -16.9250 -16.9250 -11.0342 -11.0342 -11.0318 -11.0318 -0.5001 -0.5001 0.1249 0.1249 0.3684 0.3684 0.5329 0.5329 0.8028 0.8028 0.8351 0.8351 0.9973 0.9973 4.7757 4.7757 5.0305 5.0305 5.6260 5.6260 7.0377 7.0377 7.2487 7.2487 7.4273 7.4273 8.2055 8.2055 8.3573 8.3573 k = 0.2331-0.4049 0.6383 ( 7806 PWs) bands (ev): -36.3441 -36.3441 -36.1121 -36.1121 -36.1116 -36.1116 -17.6119 -17.6119 -17.3746 -17.3746 -17.3731 -17.3731 -17.2888 -17.2888 -17.0794 -17.0794 -17.0203 -17.0203 -17.0172 -17.0172 -16.9277 -16.9277 -16.9247 -16.9247 -11.0361 -11.0361 -11.0327 -11.0327 -0.5187 -0.5187 0.1285 0.1285 0.3860 0.3860 0.5348 0.5348 0.8076 0.8076 0.8483 0.8483 1.0056 1.0056 4.7610 4.7610 5.0199 5.0199 5.6905 5.6905 6.9865 6.9865 7.2178 7.2178 7.3993 7.3993 8.2043 8.2043 8.3869 8.3870 k = 0.2403-0.4173 0.6183 ( 7801 PWs) bands (ev): -36.3441 -36.3441 -36.1121 -36.1121 -36.1116 -36.1116 -17.6118 -17.6118 -17.3745 -17.3745 -17.3730 -17.3730 -17.2886 -17.2886 -17.0794 -17.0794 -17.0203 -17.0203 -17.0172 -17.0172 -16.9273 -16.9273 -16.9244 -16.9244 -11.0378 -11.0378 -11.0336 -11.0336 -0.5356 -0.5356 0.1315 0.1315 0.4014 0.4014 0.5370 0.5370 0.8119 0.8119 0.8619 0.8619 1.0135 1.0135 4.7471 4.7471 5.0100 5.0100 5.7531 5.7531 6.9366 6.9366 7.1885 7.1885 7.3730 7.3730 8.2007 8.2007 8.4164 8.4164 k = 0.2474-0.4297 0.5984 ( 7806 PWs) bands (ev): -36.3441 -36.3441 -36.1121 -36.1121 -36.1116 -36.1116 -17.6116 -17.6116 -17.3745 -17.3745 -17.3730 -17.3730 -17.2883 -17.2883 -17.0794 -17.0794 -17.0203 -17.0203 -17.0172 -17.0172 -16.9269 -16.9269 -16.9241 -16.9241 -11.0394 -11.0394 -11.0344 -11.0344 -0.5510 -0.5510 0.1339 0.1339 0.4146 0.4146 0.5394 0.5394 0.8160 0.8160 0.8753 0.8753 1.0212 1.0212 4.7343 4.7343 5.0009 5.0009 5.8134 5.8134 6.8887 6.8887 7.1612 7.1612 7.3488 7.3488 8.1943 8.1943 8.4454 8.4466 k = 0.2546-0.4421 0.5784 ( 7804 PWs) bands (ev): -36.3441 -36.3441 -36.1122 -36.1122 -36.1116 -36.1116 -17.6115 -17.6115 -17.3744 -17.3744 -17.3729 -17.3729 -17.2881 -17.2881 -17.0794 -17.0794 -17.0203 -17.0203 -17.0172 -17.0172 -16.9266 -16.9266 -16.9238 -16.9238 -11.0409 -11.0409 -11.0352 -11.0352 -0.5646 -0.5646 0.1358 0.1358 0.4256 0.4256 0.5419 0.5419 0.8198 0.8198 0.8880 0.8880 1.0283 1.0283 4.7226 4.7226 4.9927 4.9927 5.8705 5.8705 6.8433 6.8433 7.1363 7.1363 7.3269 7.3269 8.1856 8.1856 8.4656 8.4686 k = 0.2617-0.4545 0.5585 ( 7802 PWs) bands (ev): -36.3441 -36.3441 -36.1122 -36.1122 -36.1116 -36.1116 -17.6114 -17.6114 -17.3743 -17.3743 -17.3729 -17.3729 -17.2879 -17.2879 -17.0794 -17.0794 -17.0202 -17.0202 -17.0172 -17.0172 -16.9263 -16.9263 -16.9236 -16.9236 -11.0421 -11.0421 -11.0358 -11.0358 -0.5766 -0.5766 0.1372 0.1372 0.4346 0.4346 0.5444 0.5444 0.8233 0.8233 0.8999 0.8999 1.0350 1.0350 4.7121 4.7121 4.9854 4.9854 5.9236 5.9236 6.8012 6.8012 7.1139 7.1139 7.3076 7.3076 8.1754 8.1754 8.4510 8.4581 k = 0.2689-0.4670 0.5385 ( 7797 PWs) bands (ev): -36.3441 -36.3441 -36.1122 -36.1122 -36.1117 -36.1117 -17.6113 -17.6113 -17.3742 -17.3742 -17.3729 -17.3729 -17.2877 -17.2877 -17.0794 -17.0794 -17.0202 -17.0202 -17.0172 -17.0172 -16.9260 -16.9260 -16.9234 -16.9234 -11.0432 -11.0432 -11.0363 -11.0363 -0.5867 -0.5867 0.1383 0.1383 0.4416 0.4416 0.5468 0.5468 0.8266 0.8266 0.9104 0.9104 1.0409 1.0409 4.7031 4.7031 4.9791 4.9791 5.9719 5.9719 6.7630 6.7630 7.0945 7.0945 7.2909 7.2909 8.1647 8.1647 8.4344 8.4352 k = 0.2760-0.4794 0.5186 ( 7798 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6112 -17.6112 -17.3742 -17.3742 -17.3729 -17.3729 -17.2876 -17.2876 -17.0794 -17.0794 -17.0202 -17.0202 -17.0172 -17.0172 -16.9258 -16.9258 -16.9233 -16.9233 -11.0441 -11.0441 -11.0368 -11.0368 -0.5951 -0.5951 0.1392 0.1392 0.4470 0.4470 0.5490 0.5490 0.8294 0.8294 0.9193 0.9193 1.0460 1.0460 4.6955 4.6955 4.9738 4.9738 6.0143 6.0143 6.7294 6.7294 7.0782 7.0782 7.2770 7.2770 8.1545 8.1545 8.4204 8.4204 k = 0.2832-0.4918 0.4986 ( 7798 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6111 -17.6111 -17.3741 -17.3741 -17.3729 -17.3729 -17.2875 -17.2875 -17.0794 -17.0794 -17.0202 -17.0202 -17.0172 -17.0172 -16.9256 -16.9256 -16.9231 -16.9231 -11.0449 -11.0449 -11.0371 -11.0371 -0.6016 -0.6016 0.1398 0.1398 0.4510 0.4510 0.5509 0.5509 0.8317 0.8317 0.9265 0.9265 1.0501 1.0501 4.6895 4.6895 4.9697 4.9697 6.0494 6.0494 6.7016 6.7016 7.0653 7.0653 7.2660 7.2660 8.1457 8.1457 8.4093 8.4093 k = 0.2904-0.5042 0.4787 ( 7808 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6111 -17.6111 -17.3741 -17.3741 -17.3729 -17.3729 -17.2874 -17.2874 -17.0794 -17.0794 -17.0202 -17.0202 -17.0172 -17.0172 -16.9255 -16.9255 -16.9231 -16.9231 -11.0454 -11.0454 -11.0374 -11.0374 -0.6063 -0.6063 0.1402 0.1402 0.4536 0.4536 0.5523 0.5523 0.8334 0.8334 0.9318 0.9318 1.0532 1.0532 4.6851 4.6851 4.9667 4.9667 6.0761 6.0761 6.6804 6.6804 7.0559 7.0559 7.2581 7.2581 8.1388 8.1388 8.4013 8.4013 k = 0.2975-0.5167 0.4587 ( 7812 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6111 -17.6111 -17.3741 -17.3741 -17.3729 -17.3729 -17.2874 -17.2874 -17.0795 -17.0795 -17.0202 -17.0202 -17.0172 -17.0172 -16.9254 -16.9254 -16.9230 -16.9230 -11.0457 -11.0457 -11.0376 -11.0376 -0.6091 -0.6091 0.1404 0.1404 0.4552 0.4552 0.5532 0.5532 0.8345 0.8345 0.9350 0.9350 1.0550 1.0550 4.6825 4.6825 4.9649 4.9649 6.0928 6.0928 6.6671 6.6671 7.0503 7.0503 7.2533 7.2533 8.1346 8.1346 8.3964 8.3964 k = 0.3047-0.5291 0.4388 ( 7818 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6110 -17.6110 -17.3741 -17.3741 -17.3729 -17.3729 -17.2874 -17.2874 -17.0795 -17.0795 -17.0202 -17.0202 -17.0172 -17.0172 -16.9254 -16.9254 -16.9230 -16.9230 -11.0458 -11.0458 -11.0376 -11.0376 -0.6101 -0.6101 0.1405 0.1405 0.4557 0.4557 0.5534 0.5534 0.8348 0.8348 0.9361 0.9361 1.0557 1.0557 4.6816 4.6816 4.9643 4.9643 6.0985 6.0985 6.6625 6.6625 7.0484 7.0484 7.2517 7.2517 8.1331 8.1331 8.3948 8.3948 k = 0.6953-0.0513 0.2813 ( 7818 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6110 -17.6110 -17.3741 -17.3741 -17.3729 -17.3729 -17.2874 -17.2874 -17.0795 -17.0795 -17.0202 -17.0202 -17.0172 -17.0172 -16.9254 -16.9254 -16.9230 -16.9230 -11.0458 -11.0458 -11.0376 -11.0376 -0.6101 -0.6101 0.1405 0.1405 0.4557 0.4557 0.5534 0.5534 0.8348 0.8348 0.9361 0.9361 1.0557 1.0557 4.6816 4.6816 4.9643 4.9643 6.0985 6.0985 6.6625 6.6625 7.0484 7.0484 7.2517 7.2517 8.1331 8.1331 8.3948 8.3948 k = 0.6856-0.0344 0.2673 ( 7824 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6110 -17.6110 -17.3738 -17.3738 -17.3730 -17.3730 -17.2874 -17.2874 -17.0795 -17.0795 -17.0199 -17.0199 -17.0173 -17.0173 -16.9253 -16.9253 -16.9232 -16.9232 -11.0444 -11.0444 -11.0413 -11.0413 -0.6149 -0.6149 0.1589 0.1589 0.4537 0.4537 0.5612 0.5612 0.8342 0.8342 0.9392 0.9392 1.0546 1.0546 4.7184 4.7184 4.9474 4.9474 6.1023 6.1023 6.6321 6.6321 7.0441 7.0441 7.2504 7.2504 8.1485 8.1485 8.4105 8.4105 k = 0.6758-0.0174 0.2532 ( 7818 PWs) bands (ev): -36.3442 -36.3442 -36.1122 -36.1122 -36.1117 -36.1117 -17.6110 -17.6110 -17.3736 -17.3736 -17.3729 -17.3729 -17.2874 -17.2874 -17.0795 -17.0795 -17.0196 -17.0196 -17.0173 -17.0173 -16.9251 -16.9251 -16.9233 -16.9233 -11.0451 -11.0451 -11.0432 -11.0432 -0.6184 -0.6184 0.1767 0.1767 0.4482 0.4482 0.5732 0.5732 0.8339 0.8339 0.9428 0.9428 1.0542 1.0542 4.7581 4.7581 4.9288 4.9288 6.1070 6.1070 6.6026 6.6026 7.0430 7.0430 7.2480 7.2480 8.1609 8.1609 8.4257 8.4261 k = 0.6660-0.0005 0.2391 ( 7802 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1118 -36.1118 -17.6110 -17.6110 -17.3735 -17.3735 -17.3727 -17.3727 -17.2874 -17.2874 -17.0795 -17.0795 -17.0193 -17.0193 -17.0173 -17.0173 -16.9250 -16.9250 -16.9235 -16.9235 -11.0489 -11.0489 -11.0422 -11.0422 -0.6209 -0.6209 0.1929 0.1929 0.4421 0.4421 0.5870 0.5870 0.8344 0.8344 0.9466 0.9466 1.0546 1.0546 4.8002 4.8002 4.9090 4.9090 6.1126 6.1126 6.5742 6.5742 7.0450 7.0450 7.2448 7.2448 8.1696 8.1696 8.4434 8.4599 k = 0.6563 0.0165 0.2251 ( 7790 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1118 -36.1118 -17.6110 -17.6110 -17.3734 -17.3734 -17.3724 -17.3724 -17.2875 -17.2875 -17.0795 -17.0795 -17.0190 -17.0190 -17.0173 -17.0173 -16.9249 -16.9249 -16.9236 -16.9236 -11.0527 -11.0527 -11.0414 -11.0414 -0.6222 -0.6222 0.2066 0.2066 0.4378 0.4378 0.6009 0.6009 0.8358 0.8358 0.9504 0.9504 1.0559 1.0559 4.8430 4.8430 4.8892 4.8892 6.1190 6.1190 6.5470 6.5470 7.0503 7.0503 7.2412 7.2412 8.1741 8.1741 8.4514 8.4528 k = 0.6465 0.0335 0.2110 ( 7792 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1118 -36.1118 -17.6109 -17.6109 -17.3735 -17.3735 -17.3720 -17.3720 -17.2875 -17.2875 -17.0795 -17.0795 -17.0187 -17.0187 -17.0173 -17.0173 -16.9248 -16.9248 -16.9238 -16.9238 -11.0566 -11.0566 -11.0407 -11.0407 -0.6226 -0.6226 0.2165 0.2165 0.4369 0.4369 0.6140 0.6140 0.8383 0.8383 0.9540 0.9540 1.0581 1.0581 4.8589 4.8589 4.8966 4.8966 6.1260 6.1260 6.5212 6.5212 7.0587 7.0587 7.2375 7.2375 8.1741 8.1741 8.4315 8.4365 k = 0.6367 0.0504 0.1969 ( 7804 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1118 -36.1118 -17.6109 -17.6109 -17.3735 -17.3735 -17.3716 -17.3716 -17.2875 -17.2875 -17.0795 -17.0795 -17.0184 -17.0184 -17.0172 -17.0172 -16.9247 -16.9247 -16.9239 -16.9239 -11.0603 -11.0603 -11.0403 -11.0403 -0.6221 -0.6221 0.2221 0.2221 0.4406 0.4406 0.6257 0.6257 0.8421 0.8421 0.9574 0.9574 1.0612 1.0612 4.8375 4.8375 4.9414 4.9414 6.1335 6.1335 6.4967 6.4967 7.0704 7.0704 7.2344 7.2344 8.1700 8.1700 8.3907 8.3922 k = 0.6270 0.0674 0.1829 ( 7800 PWs) bands (ev): -36.3442 -36.3442 -36.1121 -36.1121 -36.1119 -36.1119 -17.6109 -17.6109 -17.3735 -17.3735 -17.3712 -17.3712 -17.2876 -17.2876 -17.0795 -17.0795 -17.0181 -17.0181 -17.0172 -17.0172 -16.9246 -16.9246 -16.9240 -16.9240 -11.0640 -11.0640 -11.0399 -11.0399 -0.6209 -0.6209 0.2231 0.2231 0.4489 0.4489 0.6357 0.6357 0.8470 0.8470 0.9606 0.9606 1.0652 1.0652 4.8130 4.8130 4.9890 4.9890 6.1415 6.1415 6.4737 6.4737 7.0851 7.0851 7.2322 7.2322 8.1624 8.1624 8.3386 8.3394 k = 0.6172 0.0844 0.1688 ( 7808 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6109 -17.6109 -17.3735 -17.3735 -17.3709 -17.3709 -17.2876 -17.2876 -17.0796 -17.0796 -17.0179 -17.0179 -17.0171 -17.0171 -16.9245 -16.9245 -16.9242 -16.9242 -11.0676 -11.0676 -11.0397 -11.0397 -0.6191 -0.6191 0.2204 0.2204 0.4612 0.4612 0.6439 0.6439 0.8529 0.8529 0.9637 0.9637 1.0700 1.0700 4.7878 4.7878 5.0370 5.0370 6.1498 6.1498 6.4522 6.4522 7.1030 7.1030 7.2314 7.2314 8.1523 8.1523 8.2835 8.2836 k = 0.6074 0.1013 0.1547 ( 7812 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6109 -17.6109 -17.3735 -17.3735 -17.3705 -17.3705 -17.2877 -17.2877 -17.0796 -17.0796 -17.0176 -17.0176 -17.0169 -17.0169 -16.9245 -16.9245 -16.9242 -16.9242 -11.0710 -11.0710 -11.0396 -11.0396 -0.6168 -0.6168 0.2148 0.2148 0.4764 0.4764 0.6502 0.6502 0.8595 0.8595 0.9669 0.9669 1.0755 1.0755 4.7622 4.7622 5.0844 5.0844 6.1582 6.1582 6.4323 6.4323 7.1240 7.1240 7.2325 7.2325 8.1408 8.1408 8.2255 8.2255 k = 0.5977 0.1183 0.1407 ( 7812 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6109 -17.6109 -17.3735 -17.3735 -17.3702 -17.3702 -17.2877 -17.2877 -17.0796 -17.0796 -17.0175 -17.0175 -17.0168 -17.0168 -16.9245 -16.9245 -16.9242 -16.9242 -11.0742 -11.0742 -11.0396 -11.0396 -0.6142 -0.6142 0.2075 0.2075 0.4933 0.4933 0.6548 0.6548 0.8664 0.8664 0.9703 0.9703 1.0814 1.0814 4.7368 4.7368 5.1306 5.1306 6.1666 6.1666 6.4140 6.4140 7.1479 7.1479 7.2358 7.2358 8.1286 8.1286 8.1658 8.1658 k = 0.5879 0.1352 0.1266 ( 7804 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6109 -17.6109 -17.3735 -17.3735 -17.3699 -17.3699 -17.2877 -17.2877 -17.0796 -17.0796 -17.0173 -17.0173 -17.0166 -17.0166 -16.9246 -16.9246 -16.9242 -16.9242 -11.0772 -11.0772 -11.0397 -11.0397 -0.6114 -0.6114 0.1993 0.1993 0.5110 0.5110 0.6579 0.6579 0.8731 0.8731 0.9741 0.9741 1.0877 1.0877 4.7119 4.7119 5.1749 5.1749 6.1749 6.1749 6.3973 6.3973 7.1746 7.1746 7.2414 7.2414 8.1029 8.1029 8.1190 8.1190 k = 0.5781 0.1522 0.1125 ( 7790 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3735 -17.3735 -17.3695 -17.3695 -17.2877 -17.2877 -17.0796 -17.0796 -17.0171 -17.0171 -17.0164 -17.0164 -16.9247 -16.9247 -16.9241 -16.9241 -11.0800 -11.0800 -11.0398 -11.0398 -0.6084 -0.6084 0.1909 0.1909 0.5288 0.5288 0.6595 0.6595 0.8793 0.8793 0.9782 0.9782 1.0941 1.0941 4.6881 4.6881 5.2167 5.2167 6.1829 6.1829 6.3823 6.3823 7.2040 7.2040 7.2494 7.2494 8.0423 8.0423 8.1081 8.1081 k = 0.5684 0.1692 0.0985 ( 7802 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3735 -17.3735 -17.3693 -17.3693 -17.2878 -17.2878 -17.0797 -17.0797 -17.0170 -17.0170 -17.0163 -17.0163 -16.9248 -16.9248 -16.9241 -16.9241 -11.0825 -11.0825 -11.0400 -11.0400 -0.6056 -0.6056 0.1827 0.1827 0.5460 0.5460 0.6600 0.6600 0.8847 0.8847 0.9827 0.9827 1.1004 1.1004 4.6657 4.6657 5.2552 5.2552 6.1904 6.1904 6.3689 6.3689 7.2360 7.2360 7.2594 7.2594 7.9810 7.9810 8.1003 8.1003 k = 0.5586 0.1861 0.0844 ( 7794 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1120 -36.1120 -17.6108 -17.6108 -17.3735 -17.3735 -17.3690 -17.3690 -17.2878 -17.2878 -17.0797 -17.0797 -17.0169 -17.0169 -17.0161 -17.0161 -16.9248 -16.9248 -16.9240 -16.9240 -11.0848 -11.0848 -11.0401 -11.0401 -0.6028 -0.6028 0.1751 0.1751 0.5624 0.5624 0.6593 0.6593 0.8891 0.8891 0.9874 0.9874 1.1066 1.1066 4.6453 4.6453 5.2899 5.2899 6.1973 6.1973 6.3573 6.3573 7.2699 7.2699 7.2714 7.2714 7.9206 7.9206 8.0958 8.0958 k = 0.5488 0.2031 0.0703 ( 7798 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3735 -17.3735 -17.3688 -17.3688 -17.2878 -17.2878 -17.0797 -17.0797 -17.0168 -17.0168 -17.0160 -17.0160 -16.9249 -16.9249 -16.9240 -16.9240 -11.0867 -11.0867 -11.0403 -11.0403 -0.6003 -0.6003 0.1683 0.1683 0.5776 0.5776 0.6576 0.6576 0.8925 0.8925 0.9920 0.9920 1.1122 1.1122 4.6271 4.6271 5.3202 5.3202 6.2035 6.2035 6.3474 6.3474 7.2837 7.2837 7.3064 7.3064 7.8618 7.8618 8.0939 8.0948 k = 0.5391 0.2201 0.0563 ( 7796 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3687 -17.3687 -17.2878 -17.2878 -17.0797 -17.0797 -17.0167 -17.0167 -17.0159 -17.0159 -16.9249 -16.9249 -16.9240 -16.9240 -11.0883 -11.0883 -11.0404 -11.0404 -0.5981 -0.5981 0.1626 0.1626 0.5915 0.5915 0.6548 0.6548 0.8951 0.8951 0.9963 0.9963 1.1172 1.1172 4.6117 4.6117 5.3457 5.3457 6.2087 6.2087 6.3393 6.3393 7.2963 7.2963 7.3439 7.3439 7.8054 7.8054 8.0741 8.0797 k = 0.5293 0.2370 0.0422 ( 7802 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3685 -17.3685 -17.2879 -17.2879 -17.0798 -17.0798 -17.0167 -17.0167 -17.0158 -17.0158 -16.9250 -16.9250 -16.9239 -16.9239 -11.0896 -11.0896 -11.0406 -11.0406 -0.5964 -0.5964 0.1580 0.1580 0.6041 0.6041 0.6511 0.6511 0.8969 0.8969 0.9999 0.9999 1.1214 1.1214 4.5993 4.5993 5.3659 5.3659 6.2129 6.2129 6.3329 6.3329 7.3078 7.3078 7.3817 7.3817 7.7527 7.7527 8.0590 8.0601 k = 0.5195 0.2540 0.0281 ( 7796 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2879 -17.2879 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9250 -16.9250 -16.9239 -16.9239 -11.0905 -11.0905 -11.0407 -11.0407 -0.5951 -0.5951 0.1547 0.1547 0.6151 0.6151 0.6464 0.6464 0.8981 0.8981 1.0027 1.0027 1.1245 1.1245 4.5902 4.5902 5.3806 5.3806 6.2160 6.2160 6.3284 6.3284 7.3170 7.3170 7.4176 7.4176 7.7062 7.7062 8.0492 8.0494 k = 0.5098 0.2709 0.0141 ( 7788 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2879 -17.2879 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9250 -16.9250 -16.9239 -16.9239 -11.0910 -11.0910 -11.0407 -11.0407 -0.5943 -0.5943 0.1527 0.1527 0.6248 0.6248 0.6405 0.6405 0.8988 0.8988 1.0044 1.0044 1.1264 1.1264 4.5847 4.5847 5.3895 5.3895 6.2178 6.2178 6.3257 6.3257 7.3230 7.3230 7.4463 7.4463 7.6710 7.6710 8.0433 8.0433 k = 0.5000 0.2879 0.0000 ( 7808 PWs) bands (ev): -36.3442 -36.3442 -36.1120 -36.1120 -36.1119 -36.1119 -17.6108 -17.6108 -17.3734 -17.3734 -17.3684 -17.3684 -17.2879 -17.2879 -17.0798 -17.0798 -17.0166 -17.0166 -17.0157 -17.0157 -16.9250 -16.9250 -16.9239 -16.9239 -11.0912 -11.0912 -11.0407 -11.0407 -0.5940 -0.5940 0.1520 0.1520 0.6317 0.6317 0.6349 0.6349 0.8990 0.8990 1.0050 1.0050 1.1271 1.1271 4.5829 4.5829 5.3925 5.3925 6.2185 6.2185 6.3247 6.3247 7.3250 7.3250 7.4581 7.4581 7.6570 7.6570 8.0413 8.0415 Writing output data file Ca3SiBr2.save init_run : 0.74s CPU 1.40s WALL ( 1 calls) electrons : 760.86s CPU 769.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 760.86s CPU 769.15s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.15s WALL ( 314 calls) cegterg : 728.25s CPU 734.24s WALL ( 1285 calls) Called by sum_band: Called by *egterg: h_psi : 459.08s CPU 463.15s WALL ( 24935 calls) s_psi : 17.53s CPU 17.02s WALL ( 24935 calls) g_psi : 0.92s CPU 0.93s WALL ( 23336 calls) cdiaghg : 198.71s CPU 201.15s WALL ( 23650 calls) cegterg:over : 26.62s CPU 26.50s WALL ( 23336 calls) cegterg:upda : 31.30s CPU 31.48s WALL ( 23336 calls) cegterg:last : 9.70s CPU 9.57s WALL ( 2371 calls) cdiaghg:chol : 11.31s CPU 11.55s WALL ( 23650 calls) cdiaghg:inve : 7.92s CPU 7.89s WALL ( 23650 calls) cdiaghg:para : 12.25s CPU 12.52s WALL ( 47300 calls) Called by h_psi: h_psi:vloc : 419.15s CPU 422.82s WALL ( 24935 calls) h_psi:vnl : 38.64s CPU 39.20s WALL ( 24935 calls) add_vuspsi : 19.46s CPU 19.96s WALL ( 24935 calls) General routines calbec : 19.10s CPU 19.17s WALL ( 24935 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 387.42s CPU 390.79s WALL ( 1670756 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.39s WALL ( 628 calls) Parallel routines fft_scatter : 113.02s CPU 115.32s WALL ( 1670779 calls) PWSCF : 13m 5.77s CPU 13m50.38s WALL This run was terminated on: 16: 2:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=