Program PWSCF v.5.1.1 starts on 12Oct2015 at 0: 2:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KNbO3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 18 5 894 401 67 Max 31 19 6 900 417 72 Sum 1481 877 273 43099 19615 3275 bravais-lattice index = 14 lattice parameter (alat) = 7.5891 a.u. unit-cell volume = 437.0901 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.589140 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.003194 celldm(5)= 0.003194 celldm(6)= 0.003194 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.003194 0.999995 0.000000 ) a(3) = ( 0.003194 0.003184 0.999990 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.003194 -0.003184 ) b(2) = ( 0.000000 1.000005 -0.003184 ) b(3) = ( 0.000000 0.000000 1.000010 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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 K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Nb 13.00 92.90640 Nb( 1.00) K 9.00 39.09830 K( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0125000 -0.0000399 -0.0000398), wk = 0.0030581 k( 3) = ( 0.0250000 -0.0000798 -0.0000796), wk = 0.0030581 k( 4) = ( 0.0375000 -0.0001198 -0.0001194), wk = 0.0030581 k( 5) = ( 0.0500000 -0.0001597 -0.0001592), wk = 0.0030581 k( 6) = ( 0.0625000 -0.0001996 -0.0001990), wk = 0.0030581 k( 7) = ( 0.0750000 -0.0002395 -0.0002388), wk = 0.0030581 k( 8) = ( 0.0875000 -0.0002795 -0.0002786), wk = 0.0030581 k( 9) = ( 0.1000000 -0.0003194 -0.0003184), wk = 0.0030581 k( 10) = ( 0.1125000 -0.0003593 -0.0003582), wk = 0.0030581 k( 11) = ( 0.1250000 -0.0003992 -0.0003980), wk = 0.0030581 k( 12) = ( 0.1375000 -0.0004392 -0.0004378), wk = 0.0030581 k( 13) = ( 0.1500000 -0.0004791 -0.0004776), wk = 0.0030581 k( 14) = ( 0.1625000 -0.0005190 -0.0005174), wk = 0.0030581 k( 15) = ( 0.1750000 -0.0005589 -0.0005572), wk = 0.0030581 k( 16) = ( 0.1875000 -0.0005989 -0.0005970), wk = 0.0030581 k( 17) = ( 0.2000000 -0.0006388 -0.0006368), wk = 0.0030581 k( 18) = ( 0.2125000 -0.0006787 -0.0006766), wk = 0.0030581 k( 19) = ( 0.2250000 -0.0007186 -0.0007164), wk = 0.0030581 k( 20) = ( 0.2375000 -0.0007586 -0.0007562), wk = 0.0030581 k( 21) = ( 0.2500000 -0.0007985 -0.0007960), wk = 0.0030581 k( 22) = ( 0.2625000 -0.0008384 -0.0008358), wk = 0.0030581 k( 23) = ( 0.2750000 -0.0008783 -0.0008755), wk = 0.0030581 k( 24) = ( 0.2875000 -0.0009183 -0.0009153), wk = 0.0030581 k( 25) = ( 0.3000000 -0.0009582 -0.0009551), wk = 0.0030581 k( 26) = ( 0.3125000 -0.0009981 -0.0009949), wk = 0.0030581 k( 27) = ( 0.3250000 -0.0010380 -0.0010347), wk = 0.0030581 k( 28) = ( 0.3375000 -0.0010780 -0.0010745), wk = 0.0030581 k( 29) = ( 0.3500000 -0.0011179 -0.0011143), wk = 0.0030581 k( 30) = ( 0.3625000 -0.0011578 -0.0011541), wk = 0.0030581 k( 31) = ( 0.3750000 -0.0011977 -0.0011939), wk = 0.0030581 k( 32) = ( 0.3875000 -0.0012377 -0.0012337), wk = 0.0030581 k( 33) = ( 0.4000000 -0.0012776 -0.0012735), wk = 0.0030581 k( 34) = ( 0.4125000 -0.0013175 -0.0013133), wk = 0.0030581 k( 35) = ( 0.4250000 -0.0013574 -0.0013531), wk = 0.0030581 k( 36) = ( 0.4375000 -0.0013974 -0.0013929), wk = 0.0030581 k( 37) = ( 0.4500000 -0.0014373 -0.0014327), wk = 0.0030581 k( 38) = ( 0.4625000 -0.0014772 -0.0014725), wk = 0.0030581 k( 39) = ( 0.4750000 -0.0015171 -0.0015123), wk = 0.0030581 k( 40) = ( 0.4875000 -0.0015571 -0.0015521), wk = 0.0030581 k( 41) = ( 0.5000000 -0.0015970 -0.0015919), wk = 0.0030581 k( 42) = ( 0.5000000 -0.0015970 -0.0015919), wk = 0.0030581 k( 43) = ( 0.5000000 0.0072750 -0.0104921), wk = 0.0030581 k( 44) = ( 0.5000000 0.0161469 -0.0193924), wk = 0.0030581 k( 45) = ( 0.5000000 0.0250189 -0.0282926), wk = 0.0030581 k( 46) = ( 0.5000000 0.0338908 -0.0371928), wk = 0.0030581 k( 47) = ( 0.5000000 0.0427627 -0.0460931), wk = 0.0030581 k( 48) = ( 0.5000000 0.0516347 -0.0549933), wk = 0.0030581 k( 49) = ( 0.5000000 0.0605066 -0.0638936), wk = 0.0030581 k( 50) = ( 0.5000000 0.0693786 -0.0727938), wk = 0.0030581 k( 51) = ( 0.5000000 0.0782505 -0.0816940), wk = 0.0030581 k( 52) = ( 0.5000000 0.0871225 -0.0905943), wk = 0.0030581 k( 53) = ( 0.5000000 0.0959944 -0.0994945), wk = 0.0030581 k( 54) = ( 0.5000000 0.1048663 -0.1083947), wk = 0.0030581 k( 55) = ( 0.5000000 0.1137383 -0.1172950), wk = 0.0030581 k( 56) = ( 0.5000000 0.1226102 -0.1261952), wk = 0.0030581 k( 57) = ( 0.5000000 0.1314822 -0.1350954), wk = 0.0030581 k( 58) = ( 0.5000000 0.1403541 -0.1439957), wk = 0.0030581 k( 59) = ( 0.5000000 0.1492261 -0.1528959), wk = 0.0030581 k( 60) = ( 0.5000000 0.1580980 -0.1617961), wk = 0.0030581 k( 61) = ( 0.5000000 0.1669699 -0.1706964), wk = 0.0030581 k( 62) = ( 0.5000000 0.1758419 -0.1795966), wk = 0.0030581 k( 63) = ( 0.5000000 0.1847138 -0.1884968), wk = 0.0030581 k( 64) = ( 0.5000000 0.1935858 -0.1973971), wk = 0.0030581 k( 65) = ( 0.5000000 0.2024577 -0.2062973), wk = 0.0030581 k( 66) = ( 0.5000000 0.2113297 -0.2151976), wk = 0.0030581 k( 67) = ( 0.5000000 0.2202016 -0.2240978), wk = 0.0030581 k( 68) = ( 0.5000000 0.2290736 -0.2329980), wk = 0.0030581 k( 69) = ( 0.5000000 0.2379455 -0.2418983), wk = 0.0030581 k( 70) = ( 0.5000000 0.2468174 -0.2507985), wk = 0.0030581 k( 71) = ( 0.5000000 0.2556894 -0.2596987), wk = 0.0030581 k( 72) = ( 0.5000000 0.2645613 -0.2685990), wk = 0.0030581 k( 73) = ( 0.5000000 0.2734333 -0.2774992), wk = 0.0030581 k( 74) = ( 0.5000000 0.2823052 -0.2863994), wk = 0.0030581 k( 75) = ( 0.5000000 0.2911772 -0.2952997), wk = 0.0030581 k( 76) = ( 0.5000000 0.3000491 -0.3041999), wk = 0.0030581 k( 77) = ( 0.5000000 0.3089211 -0.3131001), wk = 0.0030581 k( 78) = ( 0.5000000 0.3177930 -0.3220004), wk = 0.0030581 k( 79) = ( 0.5000000 0.3266649 -0.3309006), wk = 0.0030581 k( 80) = ( 0.5000000 0.3355369 -0.3398008), wk = 0.0030581 k( 81) = ( 0.5000000 0.3444088 -0.3487011), wk = 0.0030581 k( 82) = ( 0.5000000 0.3532808 -0.3576013), wk = 0.0030581 k( 83) = ( 0.5000000 0.3621527 -0.3665016), wk = 0.0030581 k( 84) = ( 0.5000000 0.3710247 -0.3754018), wk = 0.0030581 k( 85) = ( 0.5000000 0.3798966 -0.3843020), wk = 0.0030581 k( 86) = ( 0.5000000 0.3887685 -0.3932023), wk = 0.0030581 k( 87) = ( 0.5000000 0.3976405 -0.4021025), wk = 0.0030581 k( 88) = ( 0.5000000 0.4065124 -0.4110027), wk = 0.0030581 k( 89) = ( 0.5000000 0.4153844 -0.4199030), wk = 0.0030581 k( 90) = ( 0.5000000 0.4242563 -0.4288032), wk = 0.0030581 k( 91) = ( 0.5000000 0.4331283 -0.4377034), wk = 0.0030581 k( 92) = ( 0.5000000 0.4420002 -0.4466037), wk = 0.0030581 k( 93) = ( 0.5000000 0.4508722 -0.4555039), wk = 0.0030581 k( 94) = ( 0.5000000 0.4597441 -0.4644041), wk = 0.0030581 k( 95) = ( 0.5000000 0.4686160 -0.4733044), wk = 0.0030581 k( 96) = ( 0.5000000 0.4774880 -0.4822046), wk = 0.0030581 k( 97) = ( 0.5000000 0.4863599 -0.4911049), wk = 0.0030581 k( 98) = ( 0.5000000 0.4952319 -0.5000051), wk = 0.0030581 k( 99) = ( 0.5031737 0.4983954 0.4936375), wk = 0.0030581 k( 100) = ( 0.5000000 0.4984056 0.4968213), wk = 0.0030581 k( 101) = ( 0.5000000 0.4984056 0.4968213), wk = 0.0030581 k( 102) = ( 0.4926471 0.4910761 0.4895151), wk = 0.0030581 k( 103) = ( 0.4852941 0.4837466 0.4822089), wk = 0.0030581 k( 104) = ( 0.4779412 0.4764171 0.4749027), wk = 0.0030581 k( 105) = ( 0.4705882 0.4690876 0.4675965), wk = 0.0030581 k( 106) = ( 0.4632353 0.4617581 0.4602903), wk = 0.0030581 k( 107) = ( 0.4558823 0.4544286 0.4529841), wk = 0.0030581 k( 108) = ( 0.4485294 0.4470991 0.4456779), wk = 0.0030581 k( 109) = ( 0.4411765 0.4397696 0.4383717), wk = 0.0030581 k( 110) = ( 0.4338235 0.4324401 0.4310655), wk = 0.0030581 k( 111) = ( 0.4264706 0.4251106 0.4237593), wk = 0.0030581 k( 112) = ( 0.4191177 0.4177811 0.4164531), wk = 0.0030581 k( 113) = ( 0.4117647 0.4104516 0.4091469), wk = 0.0030581 k( 114) = ( 0.4044118 0.4031221 0.4018407), wk = 0.0030581 k( 115) = ( 0.3970588 0.3957927 0.3945345), wk = 0.0030581 k( 116) = ( 0.3897059 0.3884632 0.3872283), wk = 0.0030581 k( 117) = ( 0.3823529 0.3811337 0.3799221), wk = 0.0030581 k( 118) = ( 0.3750000 0.3738042 0.3726160), wk = 0.0030581 k( 119) = ( 0.3676471 0.3664747 0.3653098), wk = 0.0030581 k( 120) = ( 0.3602941 0.3591452 0.3580036), wk = 0.0030581 k( 121) = ( 0.3529412 0.3518157 0.3506974), wk = 0.0030581 k( 122) = ( 0.3455882 0.3444862 0.3433912), wk = 0.0030581 k( 123) = ( 0.3382353 0.3371567 0.3360850), wk = 0.0030581 k( 124) = ( 0.3308823 0.3298272 0.3287788), wk = 0.0030581 k( 125) = ( 0.3235294 0.3224977 0.3214726), wk = 0.0030581 k( 126) = ( 0.3161765 0.3151682 0.3141664), wk = 0.0030581 k( 127) = ( 0.3088235 0.3078387 0.3068602), wk = 0.0030581 k( 128) = ( 0.3014706 0.3005092 0.2995540), wk = 0.0030581 k( 129) = ( 0.2941177 0.2931797 0.2922478), wk = 0.0030581 k( 130) = ( 0.2867647 0.2858503 0.2849416), wk = 0.0030581 k( 131) = ( 0.2794118 0.2785208 0.2776354), wk = 0.0030581 k( 132) = ( 0.2720588 0.2711913 0.2703292), wk = 0.0030581 k( 133) = ( 0.2647059 0.2638618 0.2630230), wk = 0.0030581 k( 134) = ( 0.2573529 0.2565323 0.2557168), wk = 0.0030581 k( 135) = ( 0.2500000 0.2492028 0.2484106), wk = 0.0030581 k( 136) = ( 0.2426471 0.2418733 0.2411044), wk = 0.0030581 k( 137) = ( 0.2352941 0.2345438 0.2337982), wk = 0.0030581 k( 138) = ( 0.2279412 0.2272143 0.2264921), wk = 0.0030581 k( 139) = ( 0.2205882 0.2198848 0.2191859), wk = 0.0030581 k( 140) = ( 0.2132353 0.2125553 0.2118797), wk = 0.0030581 k( 141) = ( 0.2058823 0.2052258 0.2045735), wk = 0.0030581 k( 142) = ( 0.1985294 0.1978963 0.1972673), wk = 0.0030581 k( 143) = ( 0.1911765 0.1905668 0.1899611), wk = 0.0030581 k( 144) = ( 0.1838235 0.1832373 0.1826549), wk = 0.0030581 k( 145) = ( 0.1764706 0.1759078 0.1753487), wk = 0.0030581 k( 146) = ( 0.1691177 0.1685784 0.1680425), wk = 0.0030581 k( 147) = ( 0.1617647 0.1612489 0.1607363), wk = 0.0030581 k( 148) = ( 0.1544118 0.1539194 0.1534301), wk = 0.0030581 k( 149) = ( 0.1470588 0.1465899 0.1461239), wk = 0.0030581 k( 150) = ( 0.1397059 0.1392604 0.1388177), wk = 0.0030581 k( 151) = ( 0.1323529 0.1319309 0.1315115), wk = 0.0030581 k( 152) = ( 0.1250000 0.1246014 0.1242053), wk = 0.0030581 k( 153) = ( 0.1176471 0.1172719 0.1168991), wk = 0.0030581 k( 154) = ( 0.1102941 0.1099424 0.1095929), wk = 0.0030581 k( 155) = ( 0.1029412 0.1026129 0.1022867), wk = 0.0030581 k( 156) = ( 0.0955882 0.0952834 0.0949805), wk = 0.0030581 k( 157) = ( 0.0882353 0.0879539 0.0876743), wk = 0.0030581 k( 158) = ( 0.0808824 0.0806244 0.0803681), wk = 0.0030581 k( 159) = ( 0.0735294 0.0732949 0.0730620), wk = 0.0030581 k( 160) = ( 0.0661765 0.0659654 0.0657558), wk = 0.0030581 k( 161) = ( 0.0588235 0.0586359 0.0584496), wk = 0.0030581 k( 162) = ( 0.0514706 0.0513065 0.0511434), wk = 0.0030581 k( 163) = ( 0.0441177 0.0439770 0.0438372), wk = 0.0030581 k( 164) = ( 0.0367647 0.0366475 0.0365310), wk = 0.0030581 k( 165) = ( 0.0294118 0.0293180 0.0292248), wk = 0.0030581 k( 166) = ( 0.0220588 0.0219885 0.0219186), wk = 0.0030581 k( 167) = ( 0.0147059 0.0146590 0.0146124), wk = 0.0030581 k( 168) = ( 0.0073529 0.0073295 0.0073062), wk = 0.0030581 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 171) = ( 0.0089002 -0.0000284 -0.0089287), wk = 0.0030581 k( 172) = ( 0.0178005 -0.0000569 -0.0178573), wk = 0.0030581 k( 173) = ( 0.0267007 -0.0000853 -0.0267860), wk = 0.0030581 k( 174) = ( 0.0356009 -0.0001137 -0.0357146), wk = 0.0030581 k( 175) = ( 0.0445012 -0.0001421 -0.0446433), wk = 0.0030581 k( 176) = ( 0.0534014 -0.0001706 -0.0535720), wk = 0.0030581 k( 177) = ( 0.0623017 -0.0001990 -0.0625006), wk = 0.0030581 k( 178) = ( 0.0712019 -0.0002274 -0.0714293), wk = 0.0030581 k( 179) = ( 0.0801021 -0.0002558 -0.0803580), wk = 0.0030581 k( 180) = ( 0.0890023 -0.0002843 -0.0892866), wk = 0.0030581 k( 181) = ( 0.0979026 -0.0003127 -0.0982153), wk = 0.0030581 k( 182) = ( 0.1068028 -0.0003411 -0.1071439), wk = 0.0030581 k( 183) = ( 0.1157031 -0.0003696 -0.1160726), wk = 0.0030581 k( 184) = ( 0.1246033 -0.0003980 -0.1250013), wk = 0.0030581 k( 185) = ( 0.1335035 -0.0004264 -0.1339299), wk = 0.0030581 k( 186) = ( 0.1424038 -0.0004548 -0.1428586), wk = 0.0030581 k( 187) = ( 0.1513040 -0.0004833 -0.1517873), wk = 0.0030581 k( 188) = ( 0.1602042 -0.0005117 -0.1607159), wk = 0.0030581 k( 189) = ( 0.1691045 -0.0005401 -0.1696446), wk = 0.0030581 k( 190) = ( 0.1780047 -0.0005685 -0.1785732), wk = 0.0030581 k( 191) = ( 0.1869049 -0.0005970 -0.1875019), wk = 0.0030581 k( 192) = ( 0.1958052 -0.0006254 -0.1964306), wk = 0.0030581 k( 193) = ( 0.2047054 -0.0006538 -0.2053592), wk = 0.0030581 k( 194) = ( 0.2136056 -0.0006822 -0.2142879), wk = 0.0030581 k( 195) = ( 0.2225059 -0.0007107 -0.2232166), wk = 0.0030581 k( 196) = ( 0.2314061 -0.0007391 -0.2321452), wk = 0.0030581 k( 197) = ( 0.2403064 -0.0007675 -0.2410739), wk = 0.0030581 k( 198) = ( 0.2492066 -0.0007960 -0.2500025), wk = 0.0030581 k( 199) = ( 0.2581068 -0.0008244 -0.2589312), wk = 0.0030581 k( 200) = ( 0.2670071 -0.0008528 -0.2678599), wk = 0.0030581 k( 201) = ( 0.2759073 -0.0008812 -0.2767885), wk = 0.0030581 k( 202) = ( 0.2848075 -0.0009097 -0.2857172), wk = 0.0030581 k( 203) = ( 0.2937078 -0.0009381 -0.2946459), wk = 0.0030581 k( 204) = ( 0.3026080 -0.0009665 -0.3035745), wk = 0.0030581 k( 205) = ( 0.3115082 -0.0009949 -0.3125032), wk = 0.0030581 k( 206) = ( 0.3204085 -0.0010234 -0.3214318), wk = 0.0030581 k( 207) = ( 0.3293087 -0.0010518 -0.3303605), wk = 0.0030581 k( 208) = ( 0.3382089 -0.0010802 -0.3392892), wk = 0.0030581 k( 209) = ( 0.3471092 -0.0011087 -0.3482178), wk = 0.0030581 k( 210) = ( 0.3560094 -0.0011371 -0.3571465), wk = 0.0030581 k( 211) = ( 0.3649096 -0.0011655 -0.3660752), wk = 0.0030581 k( 212) = ( 0.3738099 -0.0011939 -0.3750038), wk = 0.0030581 k( 213) = ( 0.3827101 -0.0012224 -0.3839325), wk = 0.0030581 k( 214) = ( 0.3916103 -0.0012508 -0.3928611), wk = 0.0030581 k( 215) = ( 0.4005106 -0.0012792 -0.4017898), wk = 0.0030581 k( 216) = ( 0.4094108 -0.0013076 -0.4107185), wk = 0.0030581 k( 217) = ( 0.4183111 -0.0013361 -0.4196471), wk = 0.0030581 k( 218) = ( 0.4272113 -0.0013645 -0.4285758), wk = 0.0030581 k( 219) = ( 0.4361115 -0.0013929 -0.4375045), wk = 0.0030581 k( 220) = ( 0.4450117 -0.0014214 -0.4464331), wk = 0.0030581 k( 221) = ( 0.4539120 -0.0014498 -0.4553618), wk = 0.0030581 k( 222) = ( 0.4628122 -0.0014782 -0.4642904), wk = 0.0030581 k( 223) = ( 0.4717125 -0.0015066 -0.4732191), wk = 0.0030581 k( 224) = ( 0.4806127 -0.0015351 -0.4821478), wk = 0.0030581 k( 225) = ( 0.4895129 -0.0015635 -0.4910764), wk = 0.0030581 k( 226) = ( 0.4984132 -0.0015919 -0.5000051), wk = 0.0030581 k( 227) = ( 0.5015868 0.4968137 -0.0031838), wk = 0.0030581 k( 228) = ( 0.5000000 0.4984056 -0.0031838), wk = 0.0030581 k( 229) = ( 0.5000000 0.4984056 -0.0031838), wk = 0.0030581 k( 230) = ( 0.5000407 0.4984461 0.0095552), wk = 0.0030581 k( 231) = ( 0.5000814 0.4984867 0.0222942), wk = 0.0030581 k( 232) = ( 0.5001221 0.4985272 0.0350332), wk = 0.0030581 k( 233) = ( 0.5001627 0.4985678 0.0477722), wk = 0.0030581 k( 234) = ( 0.5002034 0.4986084 0.0605112), wk = 0.0030581 k( 235) = ( 0.5002441 0.4986489 0.0732502), wk = 0.0030581 k( 236) = ( 0.5002848 0.4986895 0.0859892), wk = 0.0030581 k( 237) = ( 0.5003255 0.4987300 0.0987282), wk = 0.0030581 k( 238) = ( 0.5003662 0.4987706 0.1114673), wk = 0.0030581 k( 239) = ( 0.5004069 0.4988112 0.1242063), wk = 0.0030581 k( 240) = ( 0.5004476 0.4988517 0.1369453), wk = 0.0030581 k( 241) = ( 0.5004883 0.4988923 0.1496843), wk = 0.0030581 k( 242) = ( 0.5005289 0.4989328 0.1624233), wk = 0.0030581 k( 243) = ( 0.5005696 0.4989734 0.1751623), wk = 0.0030581 k( 244) = ( 0.5006103 0.4990139 0.1879013), wk = 0.0030581 k( 245) = ( 0.5006510 0.4990545 0.2006403), wk = 0.0030581 k( 246) = ( 0.5006917 0.4990951 0.2133793), wk = 0.0030581 k( 247) = ( 0.5007324 0.4991356 0.2261183), wk = 0.0030581 k( 248) = ( 0.5007731 0.4991762 0.2388573), wk = 0.0030581 k( 249) = ( 0.5008138 0.4992167 0.2515963), wk = 0.0030581 k( 250) = ( 0.5008544 0.4992573 0.2643353), wk = 0.0030581 k( 251) = ( 0.5008951 0.4992979 0.2770743), wk = 0.0030581 k( 252) = ( 0.5009358 0.4993384 0.2898133), wk = 0.0030581 k( 253) = ( 0.5009765 0.4993790 0.3025524), wk = 0.0030581 k( 254) = ( 0.5010172 0.4994195 0.3152914), wk = 0.0030581 k( 255) = ( 0.5010579 0.4994601 0.3280304), wk = 0.0030581 k( 256) = ( 0.5010986 0.4995006 0.3407694), wk = 0.0030581 k( 257) = ( 0.5011393 0.4995412 0.3535084), wk = 0.0030581 k( 258) = ( 0.5011800 0.4995818 0.3662474), wk = 0.0030581 k( 259) = ( 0.5012206 0.4996223 0.3789864), wk = 0.0030581 k( 260) = ( 0.5012613 0.4996629 0.3917254), wk = 0.0030581 k( 261) = ( 0.5013020 0.4997034 0.4044644), wk = 0.0030581 k( 262) = ( 0.5013427 0.4997440 0.4172034), wk = 0.0030581 k( 263) = ( 0.5013834 0.4997846 0.4299424), wk = 0.0030581 k( 264) = ( 0.5014241 0.4998251 0.4426814), wk = 0.0030581 k( 265) = ( 0.5014648 0.4998657 0.4554204), wk = 0.0030581 k( 266) = ( 0.5015055 0.4999062 0.4681594), wk = 0.0030581 k( 267) = ( 0.5015462 0.4999468 0.4808985), wk = 0.0030581 k( 268) = ( 0.5015868 0.4999873 0.4936375), wk = 0.0030581 k( 269) = ( 0.5015868 0.4999873 0.4936375), wk = 0.0030581 k( 270) = ( 0.5000000 0.4984056 0.4968213), wk = 0.0030581 k( 271) = ( 0.5000000 -0.0015970 -0.0015919), wk = 0.0030581 k( 272) = ( 0.5000567 0.0073031 0.0072799), wk = 0.0030581 k( 273) = ( 0.5001134 0.0162032 0.0161517), wk = 0.0030581 k( 274) = ( 0.5001700 0.0251033 0.0250235), wk = 0.0030581 k( 275) = ( 0.5002267 0.0340034 0.0338953), wk = 0.0030581 k( 276) = ( 0.5002834 0.0429035 0.0427671), wk = 0.0030581 k( 277) = ( 0.5003400 0.0518036 0.0516389), wk = 0.0030581 k( 278) = ( 0.5003967 0.0607037 0.0605108), wk = 0.0030581 k( 279) = ( 0.5004534 0.0696038 0.0693826), wk = 0.0030581 k( 280) = ( 0.5005101 0.0785039 0.0782544), wk = 0.0030581 k( 281) = ( 0.5005667 0.0874040 0.0871262), wk = 0.0030581 k( 282) = ( 0.5006234 0.0963041 0.0959980), wk = 0.0030581 k( 283) = ( 0.5006801 0.1052042 0.1048698), wk = 0.0030581 k( 284) = ( 0.5007367 0.1141043 0.1137416), wk = 0.0030581 k( 285) = ( 0.5007934 0.1230044 0.1226134), wk = 0.0030581 k( 286) = ( 0.5008501 0.1319045 0.1314852), wk = 0.0030581 k( 287) = ( 0.5009068 0.1408046 0.1403570), wk = 0.0030581 k( 288) = ( 0.5009634 0.1497047 0.1492288), wk = 0.0030581 k( 289) = ( 0.5010201 0.1586048 0.1581006), wk = 0.0030581 k( 290) = ( 0.5010768 0.1675049 0.1669725), wk = 0.0030581 k( 291) = ( 0.5011335 0.1764050 0.1758443), wk = 0.0030581 k( 292) = ( 0.5011901 0.1853051 0.1847161), wk = 0.0030581 k( 293) = ( 0.5012468 0.1942052 0.1935879), wk = 0.0030581 k( 294) = ( 0.5013035 0.2031053 0.2024597), wk = 0.0030581 k( 295) = ( 0.5013602 0.2120054 0.2113315), wk = 0.0030581 k( 296) = ( 0.5014168 0.2209055 0.2202033), wk = 0.0030581 k( 297) = ( 0.5014735 0.2298056 0.2290751), wk = 0.0030581 k( 298) = ( 0.5015302 0.2387057 0.2379469), wk = 0.0030581 k( 299) = ( 0.5015868 0.2476058 0.2468187), wk = 0.0030581 k( 300) = ( 0.5016435 0.2565059 0.2556905), wk = 0.0030581 k( 301) = ( 0.5017002 0.2654060 0.2645623), wk = 0.0030581 k( 302) = ( 0.5017569 0.2743061 0.2734342), wk = 0.0030581 k( 303) = ( 0.5018135 0.2832062 0.2823060), wk = 0.0030581 k( 304) = ( 0.5018702 0.2921063 0.2911778), wk = 0.0030581 k( 305) = ( 0.5019269 0.3010064 0.3000496), wk = 0.0030581 k( 306) = ( 0.5019835 0.3099065 0.3089214), wk = 0.0030581 k( 307) = ( 0.5020402 0.3188066 0.3177932), wk = 0.0030581 k( 308) = ( 0.5020969 0.3277067 0.3266650), wk = 0.0030581 k( 309) = ( 0.5021536 0.3366068 0.3355368), wk = 0.0030581 k( 310) = ( 0.5022102 0.3455069 0.3444086), wk = 0.0030581 k( 311) = ( 0.5022669 0.3544070 0.3532804), wk = 0.0030581 k( 312) = ( 0.5023236 0.3633071 0.3621522), wk = 0.0030581 k( 313) = ( 0.5023803 0.3722072 0.3710240), wk = 0.0030581 k( 314) = ( 0.5024369 0.3811073 0.3798959), wk = 0.0030581 k( 315) = ( 0.5024936 0.3900074 0.3887677), wk = 0.0030581 k( 316) = ( 0.5025503 0.3989075 0.3976395), wk = 0.0030581 k( 317) = ( 0.5026069 0.4078076 0.4065113), wk = 0.0030581 k( 318) = ( 0.5026636 0.4167077 0.4153831), wk = 0.0030581 k( 319) = ( 0.5027203 0.4256078 0.4242549), wk = 0.0030581 k( 320) = ( 0.5027770 0.4345079 0.4331267), wk = 0.0030581 k( 321) = ( 0.5028336 0.4434080 0.4419985), wk = 0.0030581 k( 322) = ( 0.5028903 0.4523081 0.4508703), wk = 0.0030581 k( 323) = ( 0.5029470 0.4612082 0.4597421), wk = 0.0030581 k( 324) = ( 0.5030037 0.4701083 0.4686139), wk = 0.0030581 k( 325) = ( 0.5030603 0.4790084 0.4774857), wk = 0.0030581 k( 326) = ( 0.5031170 0.4879085 0.4863576), wk = 0.0030581 k( 327) = ( 0.5031737 0.4968086 0.4952294), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0030581 k( 3) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0030581 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0030581 k( 5) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0030581 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0030581 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0030581 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0030581 k( 9) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0030581 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0030581 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0030581 k( 12) = ( 0.1375000 0.0000000 -0.0000000), wk = 0.0030581 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0030581 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0030581 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0030581 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030581 k( 17) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0030581 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030581 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0030581 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0030581 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0030581 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0030581 k( 23) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0030581 k( 24) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0030581 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030581 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0030581 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0030581 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0030581 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030581 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0030581 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030581 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0030581 k( 33) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0030581 k( 34) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0030581 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030581 k( 36) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0030581 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0030581 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0030581 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0030581 k( 40) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0030581 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030581 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030581 k( 43) = ( 0.5000000 0.0088719 -0.0088719), wk = 0.0030581 k( 44) = ( 0.5000000 0.0177438 -0.0177438), wk = 0.0030581 k( 45) = ( 0.5000000 0.0266157 -0.0266157), wk = 0.0030581 k( 46) = ( 0.5000000 0.0354876 -0.0354876), wk = 0.0030581 k( 47) = ( 0.5000000 0.0443595 -0.0443595), wk = 0.0030581 k( 48) = ( 0.5000000 0.0532314 -0.0532314), wk = 0.0030581 k( 49) = ( 0.5000000 0.0621033 -0.0621033), wk = 0.0030581 k( 50) = ( 0.5000000 0.0709752 -0.0709752), wk = 0.0030581 k( 51) = ( 0.5000000 0.0798471 -0.0798471), wk = 0.0030581 k( 52) = ( 0.5000000 0.0887190 -0.0887190), wk = 0.0030581 k( 53) = ( 0.5000000 0.0975909 -0.0975909), wk = 0.0030581 k( 54) = ( 0.5000000 0.1064628 -0.1064628), wk = 0.0030581 k( 55) = ( 0.5000000 0.1153347 -0.1153347), wk = 0.0030581 k( 56) = ( 0.5000000 0.1242066 -0.1242066), wk = 0.0030581 k( 57) = ( 0.5000000 0.1330785 -0.1330785), wk = 0.0030581 k( 58) = ( 0.5000000 0.1419504 -0.1419504), wk = 0.0030581 k( 59) = ( 0.5000000 0.1508223 -0.1508223), wk = 0.0030581 k( 60) = ( 0.5000000 0.1596942 -0.1596942), wk = 0.0030581 k( 61) = ( 0.5000000 0.1685661 -0.1685661), wk = 0.0030581 k( 62) = ( 0.5000000 0.1774380 -0.1774380), wk = 0.0030581 k( 63) = ( 0.5000000 0.1863099 -0.1863099), wk = 0.0030581 k( 64) = ( 0.5000000 0.1951818 -0.1951818), wk = 0.0030581 k( 65) = ( 0.5000000 0.2040537 -0.2040537), wk = 0.0030581 k( 66) = ( 0.5000000 0.2129256 -0.2129256), wk = 0.0030581 k( 67) = ( 0.5000000 0.2217975 -0.2217975), wk = 0.0030581 k( 68) = ( 0.5000000 0.2306694 -0.2306694), wk = 0.0030581 k( 69) = ( 0.5000000 0.2395413 -0.2395413), wk = 0.0030581 k( 70) = ( 0.5000000 0.2484132 -0.2484132), wk = 0.0030581 k( 71) = ( 0.5000000 0.2572851 -0.2572851), wk = 0.0030581 k( 72) = ( 0.5000000 0.2661570 -0.2661570), wk = 0.0030581 k( 73) = ( 0.5000000 0.2750289 -0.2750289), wk = 0.0030581 k( 74) = ( 0.5000000 0.2839008 -0.2839008), wk = 0.0030581 k( 75) = ( 0.5000000 0.2927727 -0.2927727), wk = 0.0030581 k( 76) = ( 0.5000000 0.3016446 -0.3016446), wk = 0.0030581 k( 77) = ( 0.5000000 0.3105164 -0.3105164), wk = 0.0030581 k( 78) = ( 0.5000000 0.3193883 -0.3193883), wk = 0.0030581 k( 79) = ( 0.5000000 0.3282602 -0.3282602), wk = 0.0030581 k( 80) = ( 0.5000000 0.3371321 -0.3371322), wk = 0.0030581 k( 81) = ( 0.5000000 0.3460040 -0.3460041), wk = 0.0030581 k( 82) = ( 0.5000000 0.3548759 -0.3548759), wk = 0.0030581 k( 83) = ( 0.5000000 0.3637478 -0.3637478), wk = 0.0030581 k( 84) = ( 0.5000000 0.3726197 -0.3726197), wk = 0.0030581 k( 85) = ( 0.5000000 0.3814916 -0.3814916), wk = 0.0030581 k( 86) = ( 0.5000000 0.3903635 -0.3903635), wk = 0.0030581 k( 87) = ( 0.5000000 0.3992354 -0.3992354), wk = 0.0030581 k( 88) = ( 0.5000000 0.4081073 -0.4081073), wk = 0.0030581 k( 89) = ( 0.5000000 0.4169792 -0.4169792), wk = 0.0030581 k( 90) = ( 0.5000000 0.4258511 -0.4258511), wk = 0.0030581 k( 91) = ( 0.5000000 0.4347230 -0.4347230), wk = 0.0030581 k( 92) = ( 0.5000000 0.4435949 -0.4435949), wk = 0.0030581 k( 93) = ( 0.5000000 0.4524668 -0.4524668), wk = 0.0030581 k( 94) = ( 0.5000000 0.4613387 -0.4613387), wk = 0.0030581 k( 95) = ( 0.5000000 0.4702106 -0.4702106), wk = 0.0030581 k( 96) = ( 0.5000000 0.4790825 -0.4790825), wk = 0.0030581 k( 97) = ( 0.5000000 0.4879544 -0.4879544), wk = 0.0030581 k( 98) = ( 0.5000000 0.4968263 -0.4968263), wk = 0.0030581 k( 99) = ( 0.5031737 0.5000000 0.4968263), wk = 0.0030581 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030581 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030581 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030581 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030581 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030581 k( 107) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0030581 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030581 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030581 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030581 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030581 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030581 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030581 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030581 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030581 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030581 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030581 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030581 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030581 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030581 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030581 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030581 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030581 k( 124) = ( 0.3308823 0.3308824 0.3308823), wk = 0.0030581 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030581 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030581 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030581 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030581 k( 129) = ( 0.2941177 0.2941177 0.2941176), wk = 0.0030581 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030581 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030581 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030581 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030581 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030581 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030581 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030581 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030581 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030581 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030581 k( 141) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0030581 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030581 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030581 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030581 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030581 k( 146) = ( 0.1691177 0.1691177 0.1691176), wk = 0.0030581 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030581 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030581 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030581 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030581 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030581 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030581 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030581 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030581 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030581 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030581 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030581 k( 158) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0030581 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030581 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030581 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030581 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030581 k( 163) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0030581 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030581 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030581 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030581 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030581 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030581 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 171) = ( 0.0089002 0.0000000 -0.0089002), wk = 0.0030581 k( 172) = ( 0.0178005 -0.0000000 -0.0178005), wk = 0.0030581 k( 173) = ( 0.0267007 0.0000000 -0.0267007), wk = 0.0030581 k( 174) = ( 0.0356009 -0.0000000 -0.0356009), wk = 0.0030581 k( 175) = ( 0.0445012 0.0000000 -0.0445012), wk = 0.0030581 k( 176) = ( 0.0534014 -0.0000000 -0.0534014), wk = 0.0030581 k( 177) = ( 0.0623017 0.0000000 -0.0623017), wk = 0.0030581 k( 178) = ( 0.0712019 -0.0000000 -0.0712019), wk = 0.0030581 k( 179) = ( 0.0801021 -0.0000000 -0.0801021), wk = 0.0030581 k( 180) = ( 0.0890023 0.0000000 -0.0890023), wk = 0.0030581 k( 181) = ( 0.0979026 0.0000000 -0.0979026), wk = 0.0030581 k( 182) = ( 0.1068028 -0.0000000 -0.1068028), wk = 0.0030581 k( 183) = ( 0.1157031 0.0000000 -0.1157031), wk = 0.0030581 k( 184) = ( 0.1246033 0.0000000 -0.1246033), wk = 0.0030581 k( 185) = ( 0.1335035 0.0000000 -0.1335035), wk = 0.0030581 k( 186) = ( 0.1424038 -0.0000000 -0.1424038), wk = 0.0030581 k( 187) = ( 0.1513040 0.0000000 -0.1513040), wk = 0.0030581 k( 188) = ( 0.1602042 0.0000000 -0.1602042), wk = 0.0030581 k( 189) = ( 0.1691045 0.0000000 -0.1691045), wk = 0.0030581 k( 190) = ( 0.1780047 0.0000000 -0.1780047), wk = 0.0030581 k( 191) = ( 0.1869049 -0.0000000 -0.1869049), wk = 0.0030581 k( 192) = ( 0.1958052 0.0000000 -0.1958052), wk = 0.0030581 k( 193) = ( 0.2047054 0.0000000 -0.2047054), wk = 0.0030581 k( 194) = ( 0.2136056 -0.0000000 -0.2136056), wk = 0.0030581 k( 195) = ( 0.2225059 0.0000000 -0.2225059), wk = 0.0030581 k( 196) = ( 0.2314061 0.0000000 -0.2314061), wk = 0.0030581 k( 197) = ( 0.2403064 0.0000000 -0.2403064), wk = 0.0030581 k( 198) = ( 0.2492066 0.0000000 -0.2492066), wk = 0.0030581 k( 199) = ( 0.2581068 0.0000000 -0.2581068), wk = 0.0030581 k( 200) = ( 0.2670071 0.0000000 -0.2670071), wk = 0.0030581 k( 201) = ( 0.2759073 -0.0000000 -0.2759073), wk = 0.0030581 k( 202) = ( 0.2848075 -0.0000000 -0.2848075), wk = 0.0030581 k( 203) = ( 0.2937078 0.0000000 -0.2937078), wk = 0.0030581 k( 204) = ( 0.3026080 -0.0000000 -0.3026080), wk = 0.0030581 k( 205) = ( 0.3115082 0.0000000 -0.3115082), wk = 0.0030581 k( 206) = ( 0.3204085 0.0000000 -0.3204085), wk = 0.0030581 k( 207) = ( 0.3293087 0.0000000 -0.3293087), wk = 0.0030581 k( 208) = ( 0.3382089 0.0000000 -0.3382089), wk = 0.0030581 k( 209) = ( 0.3471092 0.0000000 -0.3471092), wk = 0.0030581 k( 210) = ( 0.3560094 0.0000000 -0.3560094), wk = 0.0030581 k( 211) = ( 0.3649096 0.0000000 -0.3649096), wk = 0.0030581 k( 212) = ( 0.3738099 0.0000000 -0.3738099), wk = 0.0030581 k( 213) = ( 0.3827101 0.0000000 -0.3827101), wk = 0.0030581 k( 214) = ( 0.3916103 0.0000000 -0.3916103), wk = 0.0030581 k( 215) = ( 0.4005106 0.0000000 -0.4005106), wk = 0.0030581 k( 216) = ( 0.4094108 0.0000000 -0.4094108), wk = 0.0030581 k( 217) = ( 0.4183111 0.0000000 -0.4183111), wk = 0.0030581 k( 218) = ( 0.4272113 -0.0000000 -0.4272113), wk = 0.0030581 k( 219) = ( 0.4361115 0.0000000 -0.4361115), wk = 0.0030581 k( 220) = ( 0.4450117 0.0000000 -0.4450117), wk = 0.0030581 k( 221) = ( 0.4539120 0.0000000 -0.4539120), wk = 0.0030581 k( 222) = ( 0.4628122 0.0000000 -0.4628122), wk = 0.0030581 k( 223) = ( 0.4717125 -0.0000000 -0.4717125), wk = 0.0030581 k( 224) = ( 0.4806127 0.0000000 -0.4806127), wk = 0.0030581 k( 225) = ( 0.4895129 0.0000000 -0.4895129), wk = 0.0030581 k( 226) = ( 0.4984132 0.0000000 -0.4984132), wk = 0.0030581 k( 227) = ( 0.5015868 0.4984132 0.0000000), wk = 0.0030581 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030581 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030581 k( 230) = ( 0.5000407 0.5000407 0.0127391), wk = 0.0030581 k( 231) = ( 0.5000814 0.5000814 0.0254783), wk = 0.0030581 k( 232) = ( 0.5001221 0.5001221 0.0382174), wk = 0.0030581 k( 233) = ( 0.5001627 0.5001627 0.0509566), wk = 0.0030581 k( 234) = ( 0.5002034 0.5002034 0.0636957), wk = 0.0030581 k( 235) = ( 0.5002441 0.5002441 0.0764348), wk = 0.0030581 k( 236) = ( 0.5002848 0.5002848 0.0891740), wk = 0.0030581 k( 237) = ( 0.5003255 0.5003255 0.1019131), wk = 0.0030581 k( 238) = ( 0.5003662 0.5003662 0.1146522), wk = 0.0030581 k( 239) = ( 0.5004069 0.5004069 0.1273914), wk = 0.0030581 k( 240) = ( 0.5004476 0.5004476 0.1401305), wk = 0.0030581 k( 241) = ( 0.5004883 0.5004883 0.1528696), wk = 0.0030581 k( 242) = ( 0.5005289 0.5005289 0.1656088), wk = 0.0030581 k( 243) = ( 0.5005696 0.5005696 0.1783479), wk = 0.0030581 k( 244) = ( 0.5006103 0.5006103 0.1910870), wk = 0.0030581 k( 245) = ( 0.5006510 0.5006510 0.2038262), wk = 0.0030581 k( 246) = ( 0.5006917 0.5006917 0.2165653), wk = 0.0030581 k( 247) = ( 0.5007324 0.5007324 0.2293045), wk = 0.0030581 k( 248) = ( 0.5007731 0.5007731 0.2420436), wk = 0.0030581 k( 249) = ( 0.5008138 0.5008138 0.2547827), wk = 0.0030581 k( 250) = ( 0.5008544 0.5008544 0.2675219), wk = 0.0030581 k( 251) = ( 0.5008951 0.5008951 0.2802610), wk = 0.0030581 k( 252) = ( 0.5009358 0.5009358 0.2930001), wk = 0.0030581 k( 253) = ( 0.5009765 0.5009765 0.3057393), wk = 0.0030581 k( 254) = ( 0.5010172 0.5010172 0.3184784), wk = 0.0030581 k( 255) = ( 0.5010579 0.5010579 0.3312175), wk = 0.0030581 k( 256) = ( 0.5010986 0.5010986 0.3439567), wk = 0.0030581 k( 257) = ( 0.5011393 0.5011393 0.3566958), wk = 0.0030581 k( 258) = ( 0.5011800 0.5011800 0.3694350), wk = 0.0030581 k( 259) = ( 0.5012206 0.5012206 0.3821741), wk = 0.0030581 k( 260) = ( 0.5012613 0.5012613 0.3949132), wk = 0.0030581 k( 261) = ( 0.5013020 0.5013020 0.4076524), wk = 0.0030581 k( 262) = ( 0.5013427 0.5013427 0.4203915), wk = 0.0030581 k( 263) = ( 0.5013834 0.5013834 0.4331306), wk = 0.0030581 k( 264) = ( 0.5014241 0.5014241 0.4458698), wk = 0.0030581 k( 265) = ( 0.5014648 0.5014648 0.4586089), wk = 0.0030581 k( 266) = ( 0.5015055 0.5015055 0.4713481), wk = 0.0030581 k( 267) = ( 0.5015462 0.5015461 0.4840872), wk = 0.0030581 k( 268) = ( 0.5015868 0.5015868 0.4968263), wk = 0.0030581 k( 269) = ( 0.5015868 0.5015868 0.4968263), wk = 0.0030581 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 271) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030581 k( 272) = ( 0.5000567 0.0089002 0.0089002), wk = 0.0030581 k( 273) = ( 0.5001134 0.0178005 0.0178005), wk = 0.0030581 k( 274) = ( 0.5001700 0.0267007 0.0267007), wk = 0.0030581 k( 275) = ( 0.5002267 0.0356009 0.0356009), wk = 0.0030581 k( 276) = ( 0.5002834 0.0445012 0.0445012), wk = 0.0030581 k( 277) = ( 0.5003400 0.0534014 0.0534014), wk = 0.0030581 k( 278) = ( 0.5003967 0.0623017 0.0623017), wk = 0.0030581 k( 279) = ( 0.5004534 0.0712019 0.0712019), wk = 0.0030581 k( 280) = ( 0.5005101 0.0801021 0.0801021), wk = 0.0030581 k( 281) = ( 0.5005667 0.0890023 0.0890023), wk = 0.0030581 k( 282) = ( 0.5006234 0.0979026 0.0979026), wk = 0.0030581 k( 283) = ( 0.5006801 0.1068028 0.1068028), wk = 0.0030581 k( 284) = ( 0.5007367 0.1157031 0.1157031), wk = 0.0030581 k( 285) = ( 0.5007934 0.1246033 0.1246033), wk = 0.0030581 k( 286) = ( 0.5008501 0.1335035 0.1335035), wk = 0.0030581 k( 287) = ( 0.5009068 0.1424038 0.1424038), wk = 0.0030581 k( 288) = ( 0.5009634 0.1513040 0.1513040), wk = 0.0030581 k( 289) = ( 0.5010201 0.1602042 0.1602042), wk = 0.0030581 k( 290) = ( 0.5010768 0.1691045 0.1691045), wk = 0.0030581 k( 291) = ( 0.5011335 0.1780047 0.1780047), wk = 0.0030581 k( 292) = ( 0.5011901 0.1869049 0.1869049), wk = 0.0030581 k( 293) = ( 0.5012468 0.1958052 0.1958052), wk = 0.0030581 k( 294) = ( 0.5013035 0.2047054 0.2047054), wk = 0.0030581 k( 295) = ( 0.5013602 0.2136056 0.2136056), wk = 0.0030581 k( 296) = ( 0.5014168 0.2225059 0.2225059), wk = 0.0030581 k( 297) = ( 0.5014735 0.2314061 0.2314061), wk = 0.0030581 k( 298) = ( 0.5015302 0.2403064 0.2403064), wk = 0.0030581 k( 299) = ( 0.5015868 0.2492066 0.2492066), wk = 0.0030581 k( 300) = ( 0.5016435 0.2581068 0.2581068), wk = 0.0030581 k( 301) = ( 0.5017002 0.2670071 0.2670071), wk = 0.0030581 k( 302) = ( 0.5017569 0.2759073 0.2759073), wk = 0.0030581 k( 303) = ( 0.5018135 0.2848075 0.2848075), wk = 0.0030581 k( 304) = ( 0.5018702 0.2937078 0.2937078), wk = 0.0030581 k( 305) = ( 0.5019269 0.3026080 0.3026080), wk = 0.0030581 k( 306) = ( 0.5019835 0.3115082 0.3115082), wk = 0.0030581 k( 307) = ( 0.5020402 0.3204085 0.3204085), wk = 0.0030581 k( 308) = ( 0.5020969 0.3293087 0.3293087), wk = 0.0030581 k( 309) = ( 0.5021536 0.3382089 0.3382089), wk = 0.0030581 k( 310) = ( 0.5022102 0.3471092 0.3471092), wk = 0.0030581 k( 311) = ( 0.5022669 0.3560094 0.3560094), wk = 0.0030581 k( 312) = ( 0.5023236 0.3649096 0.3649096), wk = 0.0030581 k( 313) = ( 0.5023803 0.3738099 0.3738099), wk = 0.0030581 k( 314) = ( 0.5024369 0.3827101 0.3827101), wk = 0.0030581 k( 315) = ( 0.5024936 0.3916103 0.3916103), wk = 0.0030581 k( 316) = ( 0.5025503 0.4005106 0.4005106), wk = 0.0030581 k( 317) = ( 0.5026069 0.4094108 0.4094108), wk = 0.0030581 k( 318) = ( 0.5026636 0.4183110 0.4183111), wk = 0.0030581 k( 319) = ( 0.5027203 0.4272113 0.4272113), wk = 0.0030581 k( 320) = ( 0.5027770 0.4361115 0.4361115), wk = 0.0030581 k( 321) = ( 0.5028336 0.4450117 0.4450117), wk = 0.0030581 k( 322) = ( 0.5028903 0.4539120 0.4539120), wk = 0.0030581 k( 323) = ( 0.5029470 0.4628122 0.4628122), wk = 0.0030581 k( 324) = ( 0.5030037 0.4717125 0.4717125), wk = 0.0030581 k( 325) = ( 0.5030603 0.4806127 0.4806127), wk = 0.0030581 k( 326) = ( 0.5031170 0.4895129 0.4895129), wk = 0.0030581 k( 327) = ( 0.5031737 0.4984132 0.4984132), wk = 0.0030581 Dense grid: 43099 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19615 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 102, 48) NL pseudopotentials 0.09 Mb ( 51, 110) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 900) G-vector shells 0.01 Mb ( 786) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 102, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KNbO3.save/charge-density.dat Starting wfc are 66 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 46.3 secs Computing kpt #: 2 total cpu time spent up to now is 49.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.6 secs Computing kpt #: 6 total cpu time spent up to now is 61.9 secs Computing kpt #: 7 total cpu time spent up to now is 63.7 secs Computing kpt #: 8 total cpu time spent up to now is 66.6 secs Computing kpt #: 9 total cpu time spent up to now is 68.1 secs Computing kpt #: 10 total cpu time spent up to now is 69.6 secs Computing kpt #: 11 total cpu time spent up to now is 71.2 secs Computing kpt #: 12 total cpu time spent up to now is 72.7 secs Computing kpt #: 13 total cpu time spent up to now is 74.3 secs Computing kpt #: 14 total cpu time spent up to now is 75.9 secs Computing kpt #: 15 total cpu time spent up to now is 77.5 secs Computing kpt #: 16 total cpu time spent up to now is 78.8 secs Computing kpt #: 17 total cpu time spent up to now is 80.3 secs Computing kpt #: 18 total cpu time spent up to now is 81.7 secs Computing kpt #: 19 total cpu time spent up to now is 83.1 secs Computing kpt #: 20 total cpu time spent up to now is 84.4 secs Computing kpt #: 21 total cpu time spent up to now is 85.6 secs Computing kpt #: 22 total cpu time spent up to now is 86.9 secs Computing kpt #: 23 total cpu time spent up to now is 88.0 secs Computing kpt #: 24 total cpu time spent up to now is 89.3 secs Computing kpt #: 25 total cpu time spent up to now is 90.6 secs Computing kpt #: 26 total cpu time spent up to now is 91.7 secs Computing kpt #: 27 total cpu time spent up to now is 93.7 secs Computing kpt #: 28 total cpu time spent up to now is 94.6 secs Computing kpt #: 29 total cpu time spent up to now is 95.7 secs Computing kpt #: 30 total cpu time spent up to now is 96.9 secs Computing kpt #: 31 total cpu time spent up to now is 98.3 secs Computing kpt #: 32 total cpu time spent up to now is 99.2 secs Computing kpt #: 33 total cpu time spent up to now is 100.3 secs Computing kpt #: 34 total cpu time spent up to now is 101.4 secs Computing kpt #: 35 total cpu time spent up to now is 102.5 secs Computing kpt #: 36 total cpu time spent up to now is 103.5 secs Computing kpt #: 37 total cpu time spent up to now is 104.5 secs Computing kpt #: 38 total cpu time spent up to now is 105.6 secs Computing kpt #: 39 total cpu time spent up to now is 106.6 secs Computing kpt #: 40 total cpu time spent up to now is 107.5 secs Computing kpt #: 41 total cpu time spent up to now is 108.5 secs Computing kpt #: 42 total cpu time spent up to now is 109.4 secs Computing kpt #: 43 total cpu time spent up to now is 110.5 secs Computing kpt #: 44 total cpu time spent up to now is 111.5 secs Computing kpt #: 45 total cpu time spent up to now is 112.5 secs Computing kpt #: 46 total cpu time spent up to now is 113.6 secs Computing kpt #: 47 total cpu time spent up to now is 114.7 secs Computing kpt #: 48 total cpu time spent up to now is 115.8 secs Computing kpt #: 49 total cpu time spent up to now is 117.1 secs Computing kpt #: 50 total cpu time spent up to now is 118.3 secs Computing kpt #: 51 total cpu time spent up to now is 119.4 secs Computing kpt #: 52 total cpu time spent up to now is 120.5 secs Computing kpt #: 53 total cpu time spent up to now is 121.7 secs Computing kpt #: 54 total cpu time spent up to now is 122.9 secs Computing kpt #: 55 total cpu time spent up to now is 123.9 secs Computing kpt #: 56 total cpu time spent up to now is 124.9 secs Computing kpt #: 57 total cpu time spent up to now is 126.0 secs Computing kpt #: 58 total cpu time spent up to now is 127.1 secs Computing kpt #: 59 total cpu time spent up to now is 128.1 secs Computing kpt #: 60 total cpu time spent up to now is 129.1 secs Computing kpt #: 61 total cpu time spent up to now is 130.1 secs Computing kpt #: 62 total cpu time spent up to now is 131.2 secs Computing kpt #: 63 total cpu time spent up to now is 132.2 secs Computing kpt #: 64 total cpu time spent up to now is 133.2 secs Computing kpt #: 65 total cpu time spent up to now is 134.3 secs Computing kpt #: 66 total cpu time spent up to now is 135.4 secs Computing kpt #: 67 total cpu time spent up to now is 136.5 secs Computing kpt #: 68 total cpu time spent up to now is 137.6 secs Computing kpt #: 69 total cpu time spent up to now is 139.0 secs Computing kpt #: 70 total cpu time spent up to now is 140.2 secs Computing kpt #: 71 total cpu time spent up to now is 141.4 secs Computing kpt #: 72 total cpu time spent up to now is 142.6 secs Computing kpt #: 73 total cpu time spent up to now is 144.1 secs Computing kpt #: 74 total cpu time spent up to now is 145.6 secs Computing kpt #: 75 total cpu time spent up to now is 147.5 secs Computing kpt #: 76 total cpu time spent up to now is 148.9 secs Computing kpt #: 77 total cpu time spent up to now is 150.1 secs Computing kpt #: 78 total cpu time spent up to now is 151.7 secs Computing kpt #: 79 total cpu time spent up to now is 153.2 secs Computing kpt #: 80 total cpu time spent up to now is 154.7 secs Computing kpt #: 81 total cpu time spent up to now is 156.3 secs Computing kpt #: 82 total cpu time spent up to now is 157.7 secs Computing kpt #: 83 total cpu time spent up to now is 160.5 secs Computing kpt #: 84 total cpu time spent up to now is 162.1 secs Computing kpt #: 85 total cpu time spent up to now is 163.8 secs Computing kpt #: 86 total cpu time spent up to now is 165.4 secs Computing kpt #: 87 total cpu time spent up to now is 167.1 secs Computing kpt #: 88 total cpu time spent up to now is 168.8 secs Computing kpt #: 89 total cpu time spent up to now is 170.7 secs Computing kpt #: 90 total cpu time spent up to now is 172.7 secs Computing kpt #: 91 total cpu time spent up to now is 174.7 secs Computing kpt #: 92 total cpu time spent up to now is 176.5 secs Computing kpt #: 93 total cpu time spent up to now is 179.1 secs Computing kpt #: 94 total cpu time spent up to now is 181.5 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.5 secs Computing kpt #: 96 total cpu time spent up to now is 186.6 secs Computing kpt #: 97 total cpu time spent up to now is 189.4 secs Computing kpt #: 98 total cpu time spent up to now is 191.6 secs Computing kpt #: 99 total cpu time spent up to now is 193.6 secs Computing kpt #: 100 total cpu time spent up to now is 195.5 secs Computing kpt #: 101 total cpu time spent up to now is 197.0 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.9 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.6 secs Computing kpt #: 104 total cpu time spent up to now is 204.5 secs Computing kpt #: 105 total cpu time spent up to now is 206.7 secs Computing kpt #: 106 total cpu time spent up to now is 209.2 secs Computing kpt #: 107 total cpu time spent up to now is 210.9 secs Computing kpt #: 108 total cpu time spent up to now is 213.2 secs Computing kpt #: 109 total cpu time spent up to now is 215.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.1 secs Computing kpt #: 111 total cpu time spent up to now is 222.1 secs Computing kpt #: 112 total cpu time spent up to now is 224.4 secs Computing kpt #: 113 total cpu time spent up to now is 226.4 secs Computing kpt #: 114 total cpu time spent up to now is 228.4 secs Computing kpt #: 115 total cpu time spent up to now is 230.3 secs Computing kpt #: 116 total cpu time spent up to now is 232.5 secs Computing kpt #: 117 total cpu time spent up to now is 235.4 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.3 secs Computing kpt #: 119 total cpu time spent up to now is 241.1 secs Computing kpt #: 120 total cpu time spent up to now is 243.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.9 secs Computing kpt #: 123 total cpu time spent up to now is 252.9 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.8 secs Computing kpt #: 125 total cpu time spent up to now is 258.0 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.0 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.1 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 267.0 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.0 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.0 secs Computing kpt #: 131 total cpu time spent up to now is 276.8 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.1 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.2 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.2 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.2 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.1 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.1 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 317.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.1 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.9 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.3 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.4 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.4 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.7 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.6 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.1 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.0 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.1 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.1 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.9 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.3 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.4 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.4 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.4 secs Computing kpt #: 163 total cpu time spent up to now is 377.1 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.0 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.8 secs Computing kpt #: 166 total cpu time spent up to now is 386.8 secs Computing kpt #: 167 total cpu time spent up to now is 389.5 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 392.5 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.4 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.1 secs Computing kpt #: 172 total cpu time spent up to now is 403.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.9 secs Computing kpt #: 174 total cpu time spent up to now is 409.5 secs Computing kpt #: 175 total cpu time spent up to now is 411.9 secs Computing kpt #: 176 total cpu time spent up to now is 414.3 secs Computing kpt #: 177 total cpu time spent up to now is 416.3 secs Computing kpt #: 178 total cpu time spent up to now is 418.0 secs Computing kpt #: 179 total cpu time spent up to now is 420.5 secs Computing kpt #: 180 total cpu time spent up to now is 422.0 secs Computing kpt #: 181 total cpu time spent up to now is 424.3 secs Computing kpt #: 182 total cpu time spent up to now is 426.4 secs Computing kpt #: 183 total cpu time spent up to now is 427.9 secs Computing kpt #: 184 total cpu time spent up to now is 429.4 secs Computing kpt #: 185 total cpu time spent up to now is 430.8 secs Computing kpt #: 186 total cpu time spent up to now is 432.4 secs Computing kpt #: 187 total cpu time spent up to now is 433.8 secs Computing kpt #: 188 total cpu time spent up to now is 435.3 secs Computing kpt #: 189 total cpu time spent up to now is 436.7 secs Computing kpt #: 190 total cpu time spent up to now is 438.2 secs Computing kpt #: 191 total cpu time spent up to now is 439.5 secs Computing kpt #: 192 total cpu time spent up to now is 440.9 secs Computing kpt #: 193 total cpu time spent up to now is 442.2 secs Computing kpt #: 194 total cpu time spent up to now is 443.6 secs Computing kpt #: 195 total cpu time spent up to now is 444.8 secs Computing kpt #: 196 total cpu time spent up to now is 446.3 secs Computing kpt #: 197 total cpu time spent up to now is 447.5 secs Computing kpt #: 198 total cpu time spent up to now is 448.6 secs Computing kpt #: 199 total cpu time spent up to now is 450.6 secs Computing kpt #: 200 total cpu time spent up to now is 451.7 secs Computing kpt #: 201 total cpu time spent up to now is 453.0 secs Computing kpt #: 202 total cpu time spent up to now is 454.1 secs Computing kpt #: 203 total cpu time spent up to now is 455.1 secs Computing kpt #: 204 total cpu time spent up to now is 456.1 secs Computing kpt #: 205 total cpu time spent up to now is 457.0 secs Computing kpt #: 206 total cpu time spent up to now is 458.0 secs Computing kpt #: 207 total cpu time spent up to now is 459.0 secs Computing kpt #: 208 total cpu time spent up to now is 459.9 secs Computing kpt #: 209 total cpu time spent up to now is 460.8 secs Computing kpt #: 210 total cpu time spent up to now is 461.8 secs Computing kpt #: 211 total cpu time spent up to now is 462.8 secs Computing kpt #: 212 total cpu time spent up to now is 463.8 secs Computing kpt #: 213 total cpu time spent up to now is 464.8 secs Computing kpt #: 214 total cpu time spent up to now is 465.8 secs Computing kpt #: 215 total cpu time spent up to now is 466.8 secs Computing kpt #: 216 total cpu time spent up to now is 467.8 secs Computing kpt #: 217 total cpu time spent up to now is 468.9 secs Computing kpt #: 218 total cpu time spent up to now is 469.9 secs Computing kpt #: 219 total cpu time spent up to now is 471.7 secs Computing kpt #: 220 total cpu time spent up to now is 472.7 secs Computing kpt #: 221 total cpu time spent up to now is 473.7 secs Computing kpt #: 222 total cpu time spent up to now is 474.8 secs Computing kpt #: 223 total cpu time spent up to now is 475.7 secs Computing kpt #: 224 total cpu time spent up to now is 476.7 secs Computing kpt #: 225 total cpu time spent up to now is 477.7 secs Computing kpt #: 226 total cpu time spent up to now is 479.1 secs Computing kpt #: 227 total cpu time spent up to now is 480.2 secs Computing kpt #: 228 total cpu time spent up to now is 481.5 secs Computing kpt #: 229 total cpu time spent up to now is 482.6 secs Computing kpt #: 230 total cpu time spent up to now is 483.6 secs Computing kpt #: 231 total cpu time spent up to now is 484.6 secs Computing kpt #: 232 total cpu time spent up to now is 485.6 secs Computing kpt #: 233 total cpu time spent up to now is 487.8 secs Computing kpt #: 234 total cpu time spent up to now is 488.8 secs Computing kpt #: 235 total cpu time spent up to now is 489.8 secs Computing kpt #: 236 total cpu time spent up to now is 490.8 secs Computing kpt #: 237 total cpu time spent up to now is 491.8 secs Computing kpt #: 238 total cpu time spent up to now is 492.9 secs Computing kpt #: 239 total cpu time spent up to now is 493.9 secs Computing kpt #: 240 total cpu time spent up to now is 495.0 secs Computing kpt #: 241 total cpu time spent up to now is 496.2 secs Computing kpt #: 242 total cpu time spent up to now is 497.3 secs Computing kpt #: 243 total cpu time spent up to now is 498.5 secs Computing kpt #: 244 total cpu time spent up to now is 499.6 secs Computing kpt #: 245 total cpu time spent up to now is 500.7 secs Computing kpt #: 246 total cpu time spent up to now is 501.8 secs Computing kpt #: 247 total cpu time spent up to now is 503.0 secs Computing kpt #: 248 total cpu time spent up to now is 504.3 secs Computing kpt #: 249 total cpu time spent up to now is 505.6 secs Computing kpt #: 250 total cpu time spent up to now is 506.8 secs Computing kpt #: 251 total cpu time spent up to now is 508.2 secs Computing kpt #: 252 total cpu time spent up to now is 509.6 secs Computing kpt #: 253 total cpu time spent up to now is 511.1 secs Computing kpt #: 254 total cpu time spent up to now is 512.4 secs Computing kpt #: 255 total cpu time spent up to now is 513.6 secs Computing kpt #: 256 total cpu time spent up to now is 514.9 secs Computing kpt #: 257 total cpu time spent up to now is 516.4 secs Computing kpt #: 258 total cpu time spent up to now is 517.8 secs Computing kpt #: 259 total cpu time spent up to now is 519.2 secs Computing kpt #: 260 total cpu time spent up to now is 520.5 secs Computing kpt #: 261 total cpu time spent up to now is 522.3 secs Computing kpt #: 262 total cpu time spent up to now is 524.2 secs Computing kpt #: 263 total cpu time spent up to now is 526.8 secs Computing kpt #: 264 total cpu time spent up to now is 529.2 secs Computing kpt #: 265 total cpu time spent up to now is 531.1 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 534.0 secs Computing kpt #: 267 total cpu time spent up to now is 536.0 secs Computing kpt #: 268 total cpu time spent up to now is 537.8 secs Computing kpt #: 269 total cpu time spent up to now is 539.6 secs Computing kpt #: 270 total cpu time spent up to now is 541.3 secs Computing kpt #: 271 total cpu time spent up to now is 542.3 secs Computing kpt #: 272 total cpu time spent up to now is 543.5 secs Computing kpt #: 273 total cpu time spent up to now is 544.5 secs Computing kpt #: 274 total cpu time spent up to now is 545.6 secs Computing kpt #: 275 total cpu time spent up to now is 546.6 secs Computing kpt #: 276 total cpu time spent up to now is 547.7 secs Computing kpt #: 277 total cpu time spent up to now is 548.6 secs Computing kpt #: 278 total cpu time spent up to now is 549.5 secs Computing kpt #: 279 total cpu time spent up to now is 550.6 secs Computing kpt #: 280 total cpu time spent up to now is 551.8 secs Computing kpt #: 281 total cpu time spent up to now is 552.7 secs Computing kpt #: 282 total cpu time spent up to now is 553.8 secs Computing kpt #: 283 total cpu time spent up to now is 554.8 secs Computing kpt #: 284 total cpu time spent up to now is 556.0 secs Computing kpt #: 285 total cpu time spent up to now is 557.0 secs Computing kpt #: 286 total cpu time spent up to now is 558.0 secs Computing kpt #: 287 total cpu time spent up to now is 559.1 secs Computing kpt #: 288 total cpu time spent up to now is 560.4 secs Computing kpt #: 289 total cpu time spent up to now is 561.5 secs Computing kpt #: 290 total cpu time spent up to now is 562.6 secs Computing kpt #: 291 total cpu time spent up to now is 563.7 secs Computing kpt #: 292 total cpu time spent up to now is 564.6 secs Computing kpt #: 293 total cpu time spent up to now is 565.7 secs Computing kpt #: 294 total cpu time spent up to now is 566.8 secs Computing kpt #: 295 total cpu time spent up to now is 567.8 secs Computing kpt #: 296 total cpu time spent up to now is 568.9 secs Computing kpt #: 297 total cpu time spent up to now is 570.0 secs Computing kpt #: 298 total cpu time spent up to now is 571.2 secs Computing kpt #: 299 total cpu time spent up to now is 572.4 secs Computing kpt #: 300 total cpu time spent up to now is 573.5 secs Computing kpt #: 301 total cpu time spent up to now is 575.0 secs Computing kpt #: 302 total cpu time spent up to now is 576.3 secs Computing kpt #: 303 total cpu time spent up to now is 577.8 secs Computing kpt #: 304 total cpu time spent up to now is 579.2 secs Computing kpt #: 305 total cpu time spent up to now is 580.5 secs Computing kpt #: 306 total cpu time spent up to now is 582.2 secs Computing kpt #: 307 total cpu time spent up to now is 583.6 secs Computing kpt #: 308 total cpu time spent up to now is 585.4 secs Computing kpt #: 309 total cpu time spent up to now is 587.3 secs Computing kpt #: 310 total cpu time spent up to now is 589.2 secs Computing kpt #: 311 total cpu time spent up to now is 591.4 secs Computing kpt #: 312 total cpu time spent up to now is 594.0 secs Computing kpt #: 313 total cpu time spent up to now is 595.6 secs Computing kpt #: 314 total cpu time spent up to now is 597.6 secs Computing kpt #: 315 total cpu time spent up to now is 599.4 secs Computing kpt #: 316 total cpu time spent up to now is 601.1 secs Computing kpt #: 317 total cpu time spent up to now is 602.8 secs Computing kpt #: 318 total cpu time spent up to now is 604.5 secs Computing kpt #: 319 total cpu time spent up to now is 606.3 secs Computing kpt #: 320 total cpu time spent up to now is 608.2 secs Computing kpt #: 321 total cpu time spent up to now is 609.9 secs Computing kpt #: 322 total cpu time spent up to now is 612.1 secs Computing kpt #: 323 total cpu time spent up to now is 614.1 secs Computing kpt #: 324 total cpu time spent up to now is 615.8 secs Computing kpt #: 325 total cpu time spent up to now is 617.5 secs Computing kpt #: 326 total cpu time spent up to now is 619.7 secs Computing kpt #: 327 total cpu time spent up to now is 622.5 secs ethr = 2.50E-11, avg # of iterations = 53.5 total cpu time spent up to now is 622.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2493 PWs) bands (ev): -46.2416 -46.2416 -23.8652 -23.8652 -21.8095 -21.8095 -21.7680 -21.7680 -19.0256 -19.0256 -8.7595 -8.7595 -8.3068 -8.3068 -8.2908 -8.2908 -2.7415 -2.7415 -2.4806 -2.4806 -2.4796 -2.4796 6.0137 6.0137 6.2098 6.2098 6.2252 6.2252 6.8249 6.8249 6.8359 6.8359 6.9899 6.9899 7.2569 7.2569 7.2816 7.2816 7.3137 7.3137 10.7271 10.7271 10.7622 10.7622 11.0354 11.0354 14.2383 14.2384 k = 0.0125-0.0000-0.0000 ( 2489 PWs) bands (ev): -46.2415 -46.2415 -23.8654 -23.8651 -21.8096 -21.8096 -21.7682 -21.7679 -19.0256 -19.0256 -8.7594 -8.7586 -8.3071 -8.3057 -8.2904 -8.2904 -2.7416 -2.7412 -2.4808 -2.4803 -2.4795 -2.4794 6.0104 6.0134 6.2038 6.2105 6.2238 6.2240 6.8223 6.8235 6.8316 6.8362 6.9830 6.9910 7.2531 7.2543 7.2801 7.2885 7.3159 7.3161 10.7275 10.7297 10.7614 10.7669 11.0347 11.0375 14.2406 14.2407 k = 0.0250-0.0001-0.0001 ( 2497 PWs) bands (ev): -46.2416 -46.2416 -23.8656 -23.8652 -21.8098 -21.8098 -21.7686 -21.7679 -19.0255 -19.0254 -8.7584 -8.7568 -8.3068 -8.3041 -8.2892 -8.2889 -2.7415 -2.7407 -2.4808 -2.4801 -2.4792 -2.4788 6.0031 6.0092 6.1916 6.2062 6.2204 6.2208 6.8151 6.8180 6.8239 6.8324 6.9716 6.9864 7.2451 7.2469 7.2832 7.2978 7.3216 7.3224 10.7289 10.7353 10.7666 10.7753 11.0354 11.0410 14.2420 14.2430 k = 0.0375-0.0001-0.0001 ( 2497 PWs) bands (ev): -46.2416 -46.2416 -23.8660 -23.8653 -21.8102 -21.8102 -21.7691 -21.7681 -19.0253 -19.0252 -8.7565 -8.7542 -8.3058 -8.3024 -8.2869 -8.2860 -2.7413 -2.7399 -2.4806 -2.4798 -2.4786 -2.4778 5.9911 6.0006 6.1733 6.1959 6.2157 6.2167 6.8028 6.8084 6.8134 6.8245 6.9582 6.9777 7.2348 7.2373 7.2887 7.3070 7.3291 7.3314 10.7292 10.7425 10.7801 10.7890 11.0378 11.0461 14.2423 14.2441 k = 0.0500-0.0002-0.0002 ( 2495 PWs) bands (ev): -46.2415 -46.2415 -23.8664 -23.8655 -21.8108 -21.8107 -21.7697 -21.7684 -19.0251 -19.0249 -8.7538 -8.7507 -8.3045 -8.3009 -8.2834 -8.2811 -2.7408 -2.7390 -2.4803 -2.4795 -2.4778 -2.4765 5.9732 5.9861 6.1503 6.1806 6.2105 6.2114 6.7852 6.7945 6.8007 6.8128 6.9451 6.9671 7.2232 7.2265 7.2948 7.3150 7.3369 7.3410 10.7287 10.7496 10.8017 10.8096 11.0424 11.0530 14.2423 14.2446 k = 0.0625-0.0002-0.0002 ( 2489 PWs) bands (ev): -46.2414 -46.2414 -23.8669 -23.8659 -21.8115 -21.8114 -21.7704 -21.7689 -19.0247 -19.0245 -8.7504 -8.7466 -8.3031 -8.2997 -8.2782 -8.2743 -2.7401 -2.7379 -2.4798 -2.4791 -2.4767 -2.4749 5.9478 5.9634 6.1251 6.1622 6.2043 6.2049 6.7632 6.7766 6.7856 6.7979 6.9335 6.9563 7.2108 7.2149 7.3002 7.3219 7.3439 7.3491 10.7284 10.7560 10.8304 10.8377 11.0494 11.0624 14.2422 14.2451 k = 0.0750-0.0002-0.0002 ( 2481 PWs) bands (ev): -46.2413 -46.2413 -23.8675 -23.8663 -21.8124 -21.8123 -21.7712 -21.7694 -19.0243 -19.0240 -8.7465 -8.7419 -8.3018 -8.2988 -8.2710 -8.2653 -2.7392 -2.7366 -2.4792 -2.4786 -2.4754 -2.4730 5.9135 5.9300 6.1005 6.1425 6.1968 6.1971 6.7381 6.7553 6.7683 6.7805 6.9237 6.9460 7.1978 7.2027 7.3040 7.3277 7.3495 7.3541 10.7293 10.7622 10.8654 10.8728 11.0596 11.0746 14.2421 14.2456 k = 0.0875-0.0003-0.0003 ( 2479 PWs) bands (ev): -46.2412 -46.2412 -23.8682 -23.8668 -21.8135 -21.8133 -21.7721 -21.7701 -19.0237 -19.0235 -8.7422 -8.7369 -8.3006 -8.2981 -8.2618 -8.2544 -2.7382 -2.7352 -2.4785 -2.4780 -2.4738 -2.4709 5.8691 5.8842 6.0787 6.1232 6.1879 6.1879 6.7110 6.7319 6.7490 6.7612 6.9152 6.9365 7.1844 7.1899 7.3053 7.3325 7.3532 7.3553 10.7318 10.7686 10.9057 10.9142 11.0735 11.0905 14.2420 14.2461 k = 0.1000-0.0003-0.0003 ( 2475 PWs) bands (ev): -46.2411 -46.2411 -23.8690 -23.8674 -21.8149 -21.8145 -21.7729 -21.7708 -19.0232 -19.0229 -8.7376 -8.7317 -8.2996 -8.2974 -8.2504 -8.2414 -2.7369 -2.7336 -2.4778 -2.4773 -2.4719 -2.4685 5.8145 5.8263 6.0597 6.1047 6.1771 6.1776 6.6829 6.7074 6.7282 6.7402 6.9075 6.9276 7.1705 7.1767 7.3035 7.3362 7.3520 7.3553 10.7362 10.7754 10.9506 10.9612 11.0917 11.1110 14.2419 14.2466 k = 0.1125-0.0004-0.0004 ( 2474 PWs) bands (ev): -46.2410 -46.2410 -23.8699 -23.8681 -21.8165 -21.8160 -21.7738 -21.7715 -19.0225 -19.0222 -8.7329 -8.7264 -8.2986 -8.2967 -8.2369 -8.2264 -2.7355 -2.7319 -2.4769 -2.4765 -2.4698 -2.4659 5.7501 5.7580 6.0428 6.0873 6.1649 6.1658 6.6545 6.6827 6.7062 6.7181 6.9002 6.9191 7.1563 7.1629 7.2977 7.3377 7.3454 7.3562 10.7425 10.7829 10.9990 11.0130 11.1150 11.1371 14.2418 14.2471 k = 0.1250-0.0004-0.0004 ( 2472 PWs) bands (ev): -46.2409 -46.2409 -23.8708 -23.8688 -21.8183 -21.8176 -21.7747 -21.7723 -19.0218 -19.0215 -8.7282 -8.7212 -8.2977 -8.2960 -8.2210 -8.2092 -2.7340 -2.7300 -2.4760 -2.4756 -2.4674 -2.4631 5.6772 5.6811 6.0269 6.0704 6.1510 6.1525 6.6263 6.6582 6.6835 6.6950 6.8929 6.9107 7.1416 7.1486 7.2878 7.3291 7.3436 7.3564 10.7504 10.7908 11.0494 11.0688 11.1443 11.1703 14.2417 14.2476 k = 0.1375-0.0004-0.0004 ( 2471 PWs) bands (ev): -46.2409 -46.2409 -23.8718 -23.8697 -21.8203 -21.8195 -21.7755 -21.7730 -19.0210 -19.0207 -8.7238 -8.7163 -8.2968 -8.2953 -8.2029 -8.1899 -2.7323 -2.7280 -2.4750 -2.4747 -2.4647 -2.4600 5.5967 5.5969 6.0113 6.0536 6.1356 6.1377 6.5986 6.6341 6.6605 6.6716 6.8854 6.9021 7.1266 7.1339 7.2737 7.3126 7.3447 7.3562 10.7597 10.7991 11.1006 11.1266 11.1815 11.2120 14.2416 14.2481 k = 0.1500-0.0005-0.0005 ( 2472 PWs) bands (ev): -46.2408 -46.2408 -23.8728 -23.8706 -21.8226 -21.8216 -21.7762 -21.7738 -19.0202 -19.0198 -8.7197 -8.7119 -8.2959 -8.2946 -8.1825 -8.1685 -2.7305 -2.7260 -2.4740 -2.4737 -2.4618 -2.4568 5.5069 5.5099 5.9953 6.0366 6.1186 6.1214 6.5715 6.6108 6.6376 6.6480 6.8773 6.8931 7.1112 7.1187 7.2558 7.2920 7.3456 7.3558 10.7699 10.8075 11.1518 11.1833 11.2293 11.2629 14.2414 14.2485 k = 0.1625-0.0005-0.0005 ( 2470 PWs) bands (ev): -46.2407 -46.2407 -23.8739 -23.8716 -21.8251 -21.8239 -21.7769 -21.7745 -19.0194 -19.0190 -8.7160 -8.7079 -8.2950 -8.2939 -8.1598 -8.1450 -2.7286 -2.7238 -2.4729 -2.4726 -2.4587 -2.4533 5.4120 5.4178 5.9788 6.0190 6.1000 6.1036 6.5453 6.5881 6.6151 6.6247 6.8685 6.8834 7.0954 7.1030 7.2348 7.2683 7.3460 7.3551 10.7806 10.8158 11.2034 11.2369 11.2893 11.3223 14.2412 14.2488 k = 0.1750-0.0006-0.0006 ( 2468 PWs) bands (ev): -46.2406 -46.2406 -23.8751 -23.8726 -21.8278 -21.8263 -21.7775 -21.7751 -19.0184 -19.0180 -8.7127 -8.7045 -8.2942 -8.2931 -8.1350 -8.1195 -2.7265 -2.7216 -2.4717 -2.4715 -2.4554 -2.4497 5.3133 5.3213 5.9616 6.0006 6.0800 6.0845 6.5200 6.5662 6.5933 6.6020 6.8587 6.8729 7.0792 7.0870 7.2116 7.2423 7.3460 7.3542 10.7914 10.8239 11.2567 11.2904 11.3578 11.3884 14.2409 14.2491 k = 0.1875-0.0006-0.0006 ( 2472 PWs) bands (ev): -46.2406 -46.2406 -23.8763 -23.8737 -21.8307 -21.8290 -21.7780 -21.7757 -19.0175 -19.0171 -8.7100 -8.7017 -8.2933 -8.2923 -8.1081 -8.0920 -2.7244 -2.7193 -2.4705 -2.4703 -2.4519 -2.4460 5.2114 5.2214 5.9436 5.9813 6.0586 6.0640 6.4957 6.5451 6.5724 6.5800 6.8478 6.8612 7.0627 7.0705 7.1869 7.2149 7.3456 7.3530 10.8021 10.8318 11.3128 11.3467 11.4312 11.4596 14.2406 14.2493 k = 0.2000-0.0006-0.0006 ( 2471 PWs) bands (ev): -46.2405 -46.2405 -23.8775 -23.8749 -21.8337 -21.8319 -21.7785 -21.7763 -19.0165 -19.0161 -8.7078 -8.6995 -8.2924 -8.2915 -8.0793 -8.0628 -2.7222 -2.7170 -2.4693 -2.4691 -2.4482 -2.4422 5.1072 5.1187 5.9247 5.9610 6.0359 6.0423 6.4726 6.5247 6.5524 6.5591 6.8354 6.8482 7.0460 7.0538 7.1616 7.1868 7.3448 7.3516 10.8124 10.8394 11.3723 11.4066 11.5077 11.5344 14.2402 14.2495 k = 0.2125-0.0007-0.0007 ( 2464 PWs) bands (ev): -46.2403 -46.2403 -23.8788 -23.8760 -21.8369 -21.8348 -21.7789 -21.7767 -19.0155 -19.0150 -8.7061 -8.6979 -8.2914 -8.2907 -8.0487 -8.0319 -2.7199 -2.7146 -2.4680 -2.4678 -2.4444 -2.4382 5.0014 5.0141 5.9050 5.9396 6.0122 6.0195 6.4506 6.5052 6.5336 6.5392 6.8215 6.8335 7.0290 7.0367 7.1366 7.1589 7.3437 7.3500 10.8222 10.8466 11.4352 11.4701 11.5864 11.6119 14.2397 14.2495 k = 0.2250-0.0007-0.0007 ( 2460 PWs) bands (ev): -46.2402 -46.2402 -23.8800 -23.8773 -21.8402 -21.8379 -21.7792 -21.7772 -19.0145 -19.0140 -8.7049 -8.6968 -8.2905 -8.2898 -8.0166 -7.9997 -2.7176 -2.7123 -2.4667 -2.4665 -2.4405 -2.4341 4.8946 4.9083 5.8846 5.9174 5.9877 5.9959 6.4300 6.4865 6.5159 6.5206 6.8057 6.8171 7.0119 7.0196 7.1124 7.1318 7.3424 7.3483 10.8316 10.8535 11.5014 11.5368 11.6667 11.6912 14.2391 14.2495 k = 0.2375-0.0008-0.0008 ( 2457 PWs) bands (ev): -46.2400 -46.2400 -23.8813 -23.8785 -21.8435 -21.8412 -21.7794 -21.7775 -19.0134 -19.0129 -8.7042 -8.6963 -8.2896 -8.2890 -7.9831 -7.9662 -2.7153 -2.7099 -2.4653 -2.4652 -2.4364 -2.4300 4.7875 4.8019 5.8636 5.8944 5.9625 5.9715 6.4106 6.4687 6.4993 6.5032 6.7879 6.7988 6.9948 7.0023 7.0897 7.1064 7.3409 7.3464 10.8404 10.8601 11.5703 11.6062 11.7480 11.7718 14.2384 14.2493 k = 0.2500-0.0008-0.0008 ( 2458 PWs) bands (ev): -46.2400 -46.2400 -23.8826 -23.8798 -21.8470 -21.8445 -21.7796 -21.7778 -19.0124 -19.0119 -8.7039 -8.6963 -8.2887 -8.2881 -7.9485 -7.9317 -2.7130 -2.7076 -2.4640 -2.4639 -2.4323 -2.4259 4.6807 4.6956 5.8420 5.8708 5.9369 5.9467 6.3927 6.4518 6.4839 6.4869 6.7680 6.7786 6.9776 6.9850 7.0689 7.0830 7.3392 7.3444 10.8486 10.8664 11.6416 11.6777 11.8297 11.8530 14.2376 14.2490 k = 0.2625-0.0008-0.0008 ( 2459 PWs) bands (ev): -46.2399 -46.2399 -23.8839 -23.8811 -21.8504 -21.8478 -21.7798 -21.7781 -19.0113 -19.0109 -8.7041 -8.6968 -8.2878 -8.2873 -7.9131 -7.8965 -2.7106 -2.7053 -2.4627 -2.4626 -2.4282 -2.4218 4.5748 4.5900 5.8201 5.8468 5.9111 5.9215 6.3761 6.4359 6.4695 6.4717 6.7463 6.7566 6.9605 6.9678 7.0502 7.0619 7.3375 7.3423 10.8564 10.8724 11.7145 11.7506 11.9114 11.9343 14.2368 14.2485 k = 0.2750-0.0009-0.0009 ( 2463 PWs) bands (ev): -46.2399 -46.2399 -23.8851 -23.8824 -21.8538 -21.8511 -21.7799 -21.7783 -19.0103 -19.0098 -8.7046 -8.6976 -8.2869 -8.2864 -7.8772 -7.8609 -2.7083 -2.7030 -2.4614 -2.4613 -2.4240 -2.4177 4.4703 4.4857 5.7981 5.8226 5.8854 5.8962 6.3608 6.4210 6.4561 6.4576 6.7228 6.7332 6.9436 6.9508 7.0337 7.0433 7.3357 7.3402 10.8638 10.8781 11.7885 11.8245 11.9927 12.0153 14.2357 14.2479 k = 0.2875-0.0009-0.0009 ( 2461 PWs) bands (ev): -46.2397 -46.2397 -23.8864 -23.8837 -21.8572 -21.8545 -21.7800 -21.7785 -19.0093 -19.0088 -8.7053 -8.6987 -8.2860 -8.2856 -7.8410 -7.8250 -2.7060 -2.7008 -2.4600 -2.4600 -2.4199 -2.4136 4.3679 4.3832 5.7760 5.7984 5.8599 5.8710 6.3469 6.4071 6.4438 6.4445 6.6980 6.7086 6.9270 6.9340 7.0193 7.0270 7.3339 7.3380 10.8707 10.8836 11.8630 11.8987 12.0731 12.0954 14.2346 14.2471 k = 0.3000-0.0010-0.0010 ( 2459 PWs) bands (ev): -46.2396 -46.2396 -23.8876 -23.8849 -21.8605 -21.8578 -21.7800 -21.7787 -19.0082 -19.0078 -8.7063 -8.7000 -8.2851 -8.2848 -7.8047 -7.7892 -2.7037 -2.6987 -2.4588 -2.4587 -2.4157 -2.4096 4.2680 4.2832 5.7540 5.7744 5.8349 5.8462 6.3342 6.3941 6.4323 6.4323 6.6723 6.6833 6.9108 6.9176 7.0068 7.0130 7.3320 7.3359 10.8772 10.8888 11.9375 11.9725 12.1522 12.1742 14.2334 14.2461 k = 0.3125-0.0010-0.0010 ( 2459 PWs) bands (ev): -46.2395 -46.2395 -23.8888 -23.8862 -21.8638 -21.8611 -21.7800 -21.7788 -19.0073 -19.0068 -8.7075 -8.7016 -8.2843 -8.2839 -7.7687 -7.7538 -2.7015 -2.6967 -2.4575 -2.4575 -2.4116 -2.4057 4.1712 4.1861 5.7325 5.7509 5.8106 5.8218 6.3228 6.3822 6.4210 6.4218 6.6461 6.6578 6.8950 6.9016 6.9960 7.0009 7.3302 7.3338 10.8833 10.8938 12.0112 12.0454 12.2296 12.2512 14.2321 14.2450 k = 0.3250-0.0010-0.0010 ( 2457 PWs) bands (ev): -46.2394 -46.2394 -23.8899 -23.8874 -21.8669 -21.8643 -21.7800 -21.7789 -19.0063 -19.0059 -8.7088 -8.7033 -8.2835 -8.2832 -7.7333 -7.7190 -2.6994 -2.6948 -2.4563 -2.4563 -2.4076 -2.4019 4.0781 4.0925 5.7115 5.7280 5.7871 5.7981 6.3125 6.3712 6.4105 6.4121 6.6200 6.6323 6.8797 6.8861 6.9866 6.9906 7.3285 7.3318 10.8891 10.8985 12.0837 12.1169 12.3048 12.3260 14.2306 14.2436 k = 0.3375-0.0011-0.0011 ( 2455 PWs) bands (ev): -46.2393 -46.2393 -23.8910 -23.8886 -21.8699 -21.8673 -21.7800 -21.7790 -19.0054 -19.0050 -8.7103 -8.7052 -8.2827 -8.2824 -7.6988 -7.6851 -2.6973 -2.6929 -2.4551 -2.4551 -2.4037 -2.3983 3.9890 4.0029 5.6912 5.7060 5.7646 5.7752 6.3034 6.3611 6.4008 6.4033 6.5942 6.6072 6.8651 6.8712 6.9786 6.9817 7.3268 7.3299 10.8945 10.9029 12.1543 12.1863 12.3774 12.3981 14.2291 14.2421 k = 0.3500-0.0011-0.0011 ( 2457 PWs) bands (ev): -46.2393 -46.2393 -23.8920 -23.8897 -21.8728 -21.8703 -21.7800 -21.7790 -19.0045 -19.0041 -8.7118 -8.7070 -8.2820 -8.2817 -7.6653 -7.6524 -2.6954 -2.6912 -2.4540 -2.4540 -2.4000 -2.3948 3.9045 3.9177 5.6718 5.6850 5.7433 5.7534 6.2955 6.3519 6.3919 6.3952 6.5692 6.5829 6.8512 6.8570 6.9716 6.9741 7.3252 7.3280 10.8995 10.9071 12.2226 12.2531 12.4470 12.4671 14.2275 14.2404 k = 0.3625-0.0012-0.0012 ( 2459 PWs) bands (ev): -46.2392 -46.2392 -23.8930 -23.8908 -21.8755 -21.8731 -21.7800 -21.7791 -19.0037 -19.0033 -8.7133 -8.7089 -8.2813 -8.2810 -7.6333 -7.6212 -2.6935 -2.6896 -2.4530 -2.4529 -2.3964 -2.3916 3.8250 3.8375 5.6534 5.6651 5.7232 5.7327 6.2886 6.3435 6.3838 6.3879 6.5453 6.5596 6.8381 6.8436 6.9656 6.9675 7.3237 7.3263 10.9042 10.9109 12.2879 12.3168 12.5131 12.5325 14.2259 14.2386 k = 0.3750-0.0012-0.0012 ( 2450 PWs) bands (ev): -46.2390 -46.2390 -23.8938 -23.8919 -21.8780 -21.8757 -21.7799 -21.7791 -19.0029 -19.0026 -8.7147 -8.7108 -8.2806 -8.2804 -7.6029 -7.5917 -2.6917 -2.6881 -2.4520 -2.4519 -2.3930 -2.3885 3.7509 3.7626 5.6363 5.6465 5.7046 5.7134 6.2829 6.3358 6.3765 6.3813 6.5228 6.5375 6.8259 6.8310 6.9604 6.9619 7.3223 7.3246 10.9086 10.9145 12.3497 12.3768 12.5754 12.5939 14.2243 14.2366 k = 0.3875-0.0012-0.0012 ( 2452 PWs) bands (ev): -46.2390 -46.2390 -23.8947 -23.8928 -21.8803 -21.8782 -21.7799 -21.7792 -19.0022 -19.0019 -8.7161 -8.7126 -8.2800 -8.2798 -7.5745 -7.5642 -2.6901 -2.6868 -2.4510 -2.4510 -2.3899 -2.3857 3.6827 3.6934 5.6204 5.6294 5.6874 5.6955 6.2782 6.3289 6.3699 6.3754 6.5018 6.5167 6.8146 6.8193 6.9559 6.9571 7.3210 7.3231 10.9125 10.9178 12.4076 12.4326 12.6334 12.6509 14.2226 14.2344 k = 0.4000-0.0013-0.0013 ( 2450 PWs) bands (ev): -46.2389 -46.2389 -23.8954 -23.8937 -21.8823 -21.8804 -21.7798 -21.7792 -19.0015 -19.0013 -8.7175 -8.7143 -8.2795 -8.2793 -7.5483 -7.5389 -2.6886 -2.6856 -2.4502 -2.4502 -2.3869 -2.3832 3.6206 3.6304 5.6060 5.6137 5.6719 5.6792 6.2745 6.3224 6.3642 6.3703 6.4826 6.4974 6.8044 6.8086 6.9521 6.9530 7.3198 7.3217 10.9161 10.9207 12.4611 12.4839 12.6868 12.7030 14.2211 14.2322 k = 0.4125-0.0013-0.0013 ( 2446 PWs) bands (ev): -46.2388 -46.2388 -23.8960 -23.8946 -21.8842 -21.8825 -21.7797 -21.7792 -19.0009 -19.0007 -8.7187 -8.7159 -8.2790 -8.2788 -7.5244 -7.5162 -2.6872 -2.6845 -2.4494 -2.4494 -2.3843 -2.3809 3.5652 3.5738 5.5931 5.5997 5.6580 5.6645 6.2719 6.3164 6.3593 6.3658 6.4654 6.4797 6.7952 6.7990 6.9488 6.9495 7.3188 7.3204 10.9194 10.9233 12.5096 12.5301 12.7351 12.7499 14.2197 14.2299 k = 0.4250-0.0014-0.0014 ( 2446 PWs) bands (ev): -46.2388 -46.2388 -23.8966 -23.8953 -21.8858 -21.8843 -21.7797 -21.7792 -19.0004 -19.0002 -8.7197 -8.7174 -8.2785 -8.2784 -7.5032 -7.4960 -2.6859 -2.6836 -2.4488 -2.4487 -2.3819 -2.3790 3.5165 3.5241 5.5817 5.5873 5.6460 5.6515 6.2703 6.3106 6.3554 6.3620 6.4503 6.4637 6.7872 6.7905 6.9460 6.9466 7.3179 7.3193 10.9222 10.9255 12.5529 12.5707 12.7780 12.7912 14.2185 14.2277 k = 0.4375-0.0014-0.0014 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.8970 -23.8959 -21.8871 -21.8859 -21.7796 -21.7792 -19.0000 -18.9998 -8.7206 -8.7187 -8.2781 -8.2780 -7.4848 -7.4788 -2.6848 -2.6829 -2.4482 -2.4481 -2.3798 -2.3773 3.4750 3.4814 5.5721 5.5766 5.6357 5.6404 6.2697 6.3051 6.3524 6.3588 6.4376 6.4496 6.7804 6.7832 6.9438 6.9442 7.3172 7.3184 10.9247 10.9274 12.5905 12.6056 12.8152 12.8266 14.2175 14.2255 k = 0.4500-0.0014-0.0014 ( 2442 PWs) bands (ev): -46.2386 -46.2386 -23.8974 -23.8965 -21.8882 -21.8872 -21.7796 -21.7793 -18.9996 -18.9995 -8.7214 -8.7198 -8.2778 -8.2778 -7.4694 -7.4646 -2.6839 -2.6823 -2.4477 -2.4477 -2.3780 -2.3760 3.4408 3.4460 5.5642 5.5678 5.6273 5.6311 6.2701 6.2997 6.3504 6.3561 6.4272 6.4374 6.7748 6.7770 6.9420 6.9423 7.3166 7.3175 10.9267 10.9289 12.6220 12.6343 12.8463 12.8557 14.2168 14.2234 k = 0.4625-0.0015-0.0015 ( 2431 PWs) bands (ev): -46.2385 -46.2385 -23.8976 -23.8969 -21.8890 -21.8883 -21.7795 -21.7793 -18.9993 -18.9992 -8.7219 -8.7208 -8.2776 -8.2775 -7.4572 -7.4535 -2.6831 -2.6819 -2.4473 -2.4473 -2.3765 -2.3750 3.4142 3.4181 5.5581 5.5608 5.6209 5.6237 6.2714 6.2945 6.3492 6.3539 6.4193 6.4274 6.7705 6.7722 6.9406 6.9408 7.3162 7.3169 10.9284 10.9300 12.6472 12.6565 12.8712 12.8784 14.2164 14.2215 k = 0.4750-0.0015-0.0015 ( 2431 PWs) bands (ev): -46.2384 -46.2384 -23.8978 -23.8973 -21.8896 -21.8891 -21.7794 -21.7793 -18.9991 -18.9990 -8.7223 -8.7215 -8.2774 -8.2774 -7.4481 -7.4457 -2.6825 -2.6817 -2.4470 -2.4470 -2.3754 -2.3744 3.3952 3.3978 5.5539 5.5556 5.6164 5.6183 6.2736 6.2894 6.3488 6.3522 6.4140 6.4196 6.7675 6.7686 6.9396 6.9398 7.3159 7.3164 10.9297 10.9308 12.6659 12.6721 12.8895 12.8943 14.2164 14.2198 k = 0.4875-0.0016-0.0016 ( 2430 PWs) bands (ev): -46.2384 -46.2384 -23.8978 -23.8976 -21.8899 -21.8896 -21.7794 -21.7793 -18.9989 -18.9989 -8.7224 -8.7220 -8.2773 -8.2773 -7.4424 -7.4412 -2.6820 -2.6816 -2.4469 -2.4469 -2.3746 -2.3741 3.3841 3.3854 5.5515 5.5524 5.6139 5.6148 6.2767 6.2847 6.3491 6.3508 6.4114 6.4143 6.7658 6.7663 6.9391 6.9391 7.3158 7.3160 10.9305 10.9311 12.6777 12.6809 12.9010 12.9035 14.2167 14.2185 k = 0.5000-0.0016-0.0016 ( 2430 PWs) bands (ev): -46.2384 -46.2384 -23.8977 -23.8977 -21.8899 -21.8899 -21.7793 -21.7793 -18.9989 -18.9989 -8.7223 -8.7223 -8.2772 -8.2772 -7.4401 -7.4401 -2.6817 -2.6817 -2.4468 -2.4468 -2.3742 -2.3742 3.3808 3.3808 5.5510 5.5510 5.6133 5.6133 6.2804 6.2804 6.3498 6.3498 6.4115 6.4115 6.7654 6.7654 6.9389 6.9389 7.3158 7.3158 10.9310 10.9310 12.6827 12.6827 12.9057 12.9057 14.2174 14.2174 k = 0.5000-0.0016-0.0016 ( 2430 PWs) bands (ev): -46.2384 -46.2384 -23.8977 -23.8977 -21.8899 -21.8899 -21.7793 -21.7793 -18.9989 -18.9989 -8.7223 -8.7223 -8.2772 -8.2772 -7.4401 -7.4401 -2.6817 -2.6817 -2.4468 -2.4468 -2.3742 -2.3742 3.3808 3.3808 5.5510 5.5510 5.6133 5.6133 6.2804 6.2804 6.3498 6.3498 6.4115 6.4115 6.7654 6.7654 6.9389 6.9389 7.3158 7.3158 10.9310 10.9310 12.6827 12.6827 12.9057 12.9057 14.2174 14.2174 k = 0.5000 0.0073-0.0105 ( 2434 PWs) bands (ev): -46.2385 -46.2385 -23.8979 -23.8977 -21.8901 -21.8897 -21.7798 -21.7792 -18.9989 -18.9989 -8.7223 -8.7206 -8.2779 -8.2755 -7.4403 -7.4401 -2.6827 -2.6809 -2.4479 -2.4457 -2.3746 -2.3742 3.3807 3.3808 5.5389 5.5508 5.6050 5.6172 6.2668 6.2893 6.3368 6.3644 6.4088 6.4179 6.7672 6.7682 6.9265 6.9439 7.3102 7.3278 10.9283 10.9356 12.6802 12.6851 12.9040 12.9080 14.2213 14.2246 k = 0.5000 0.0161-0.0194 ( 2436 PWs) bands (ev): -46.2385 -46.2385 -23.8982 -23.8977 -21.8903 -21.8897 -21.7804 -21.7792 -18.9988 -18.9988 -8.7204 -8.7170 -8.2773 -8.2725 -7.4407 -7.4402 -2.6836 -2.6802 -2.4490 -2.4446 -2.3754 -2.3745 3.3806 3.3809 5.5169 5.5363 5.5945 5.6144 6.2511 6.2849 6.3326 6.3731 6.4139 6.4296 6.7732 6.7750 6.9100 6.9408 7.3116 7.3441 10.9276 10.9422 12.6775 12.6871 12.9030 12.9108 14.2363 14.2428 k = 0.5000 0.0250-0.0283 ( 2446 PWs) bands (ev): -46.2386 -46.2386 -23.8986 -23.8978 -21.8907 -21.8897 -21.7813 -21.7795 -18.9988 -18.9987 -8.7168 -8.7117 -8.2755 -8.2684 -7.4412 -7.4405 -2.6847 -2.6795 -2.4501 -2.4435 -2.3766 -2.3752 3.3804 3.3809 5.4869 5.5092 5.5818 5.6046 6.2324 6.2651 6.3352 6.3684 6.4336 6.4493 6.7809 6.7845 6.8944 6.9316 7.3188 7.3624 10.9291 10.9509 12.6749 12.6890 12.9027 12.9141 14.2621 14.2717 k = 0.5000 0.0339-0.0372 ( 2452 PWs) bands (ev): -46.2387 -46.2387 -23.8990 -23.8979 -21.8911 -21.8898 -21.7823 -21.7799 -18.9987 -18.9987 -8.7114 -8.7046 -8.2726 -8.2632 -7.4419 -7.4410 -2.6858 -2.6790 -2.4511 -2.4424 -2.3782 -2.3763 3.3803 3.3809 5.4503 5.4731 5.5653 5.5883 6.2096 6.2370 6.3357 6.3533 6.4641 6.4774 6.7851 6.7941 6.8870 6.9213 7.3295 7.3805 10.9332 10.9619 12.6725 12.6906 12.9031 12.9179 14.2985 14.3110 k = 0.5000 0.0428-0.0461 ( 2452 PWs) bands (ev): -46.2386 -46.2386 -23.8996 -23.8982 -21.8915 -21.8899 -21.7836 -21.7806 -18.9986 -18.9985 -8.7043 -8.6958 -8.2685 -8.2568 -7.4427 -7.4416 -2.6871 -2.6786 -2.4522 -2.4413 -2.3801 -2.3778 3.3801 3.3809 5.4085 5.4307 5.5443 5.5663 6.1809 6.2038 6.3306 6.3314 6.5013 6.5120 6.7814 6.7990 6.8938 6.9174 7.3412 7.3966 10.9404 10.9755 12.6708 12.6925 12.9043 12.9221 14.3448 14.3600 k = 0.5000 0.0516-0.0550 ( 2452 PWs) bands (ev): -46.2386 -46.2386 -23.9002 -23.8985 -21.8920 -21.8901 -21.7851 -21.7815 -18.9984 -18.9984 -8.6953 -8.6852 -8.2632 -8.2493 -7.4436 -7.4423 -2.6885 -2.6783 -2.4533 -2.4402 -2.3823 -2.3795 3.3799 3.3808 5.3626 5.3838 5.5189 5.5395 6.1449 6.1674 6.3014 6.3217 6.5427 6.5510 6.7723 6.7950 6.9136 6.9264 7.3519 7.4094 10.9510 10.9923 12.6700 12.6946 12.9063 12.9268 14.4004 14.4180 k = 0.5000 0.0605-0.0639 ( 2456 PWs) bands (ev): -46.2386 -46.2386 -23.9009 -23.8990 -21.8926 -21.8904 -21.7867 -21.7826 -18.9982 -18.9982 -8.6847 -8.6730 -8.2568 -8.2406 -7.4447 -7.4432 -2.6901 -2.6783 -2.4544 -2.4392 -2.3848 -2.3816 3.3797 3.3808 5.3138 5.3339 5.4895 5.5086 6.1018 6.1280 6.2664 6.3067 6.5852 6.5921 6.7632 6.7852 6.9417 6.9478 7.3600 7.4181 10.9655 11.0126 12.6701 12.6974 12.9089 12.9319 14.4647 14.4844 k = 0.5000 0.0694-0.0728 ( 2456 PWs) bands (ev): -46.2386 -46.2386 -23.9017 -23.8995 -21.8932 -21.8907 -21.7886 -21.7839 -18.9980 -18.9980 -8.6723 -8.6591 -8.2493 -8.2309 -7.4459 -7.4442 -2.6918 -2.6785 -2.4556 -2.4384 -2.3876 -2.3839 3.3795 3.3807 5.2629 5.2819 5.4566 5.4744 6.0529 6.0845 6.2266 6.2857 6.6243 6.6329 6.7582 6.7779 6.9750 6.9774 7.3646 7.4222 10.9844 11.0367 12.6714 12.7010 12.9123 12.9377 14.5368 14.5584 k = 0.5000 0.0783-0.0817 ( 2462 PWs) bands (ev): -46.2386 -46.2386 -23.9025 -23.9001 -21.8939 -21.8911 -21.7907 -21.7854 -18.9978 -18.9977 -8.6582 -8.6435 -8.2406 -8.2202 -7.4472 -7.4452 -2.6938 -2.6790 -2.4570 -2.4378 -2.3906 -2.3865 3.3793 3.3807 5.2106 5.2287 5.4208 5.4374 5.9996 6.0362 6.1829 6.2586 6.6532 6.6669 6.7633 6.7830 7.0115 7.0123 7.3653 7.4213 11.0080 11.0650 12.6742 12.7056 12.9165 12.9440 14.6162 14.6394 k = 0.5000 0.0871-0.0906 ( 2460 PWs) bands (ev): -46.2385 -46.2385 -23.9034 -23.9008 -21.8947 -21.8916 -21.7929 -21.7871 -18.9975 -18.9975 -8.6425 -8.6264 -8.2308 -8.2084 -7.4486 -7.4463 -2.6961 -2.6798 -2.4585 -2.4374 -2.3937 -2.3893 3.3791 3.3806 5.1576 5.1747 5.3823 5.3980 5.9431 5.9833 6.1363 6.2253 6.6658 6.6847 6.7878 6.8064 7.0497 7.0512 7.3621 7.4157 11.0367 11.0978 12.6783 12.7114 12.9216 12.9510 14.7021 14.7266 k = 0.5000 0.0960-0.0995 ( 2462 PWs) bands (ev): -46.2385 -46.2385 -23.9045 -23.9016 -21.8955 -21.8922 -21.7953 -21.7890 -18.9972 -18.9972 -8.6252 -8.6077 -8.2199 -8.1956 -7.4500 -7.4475 -2.6986 -2.6809 -2.4602 -2.4376 -2.3969 -2.3923 3.3789 3.3806 5.1043 5.1206 5.3416 5.3566 5.8841 5.9263 6.0872 6.1859 6.6645 6.6893 6.8287 6.8442 7.0898 7.0922 7.3553 7.4058 11.0704 11.1352 12.6840 12.7185 12.9275 12.9587 14.7937 14.8194 k = 0.5000 0.1049-0.1084 ( 2466 PWs) bands (ev): -46.2384 -46.2384 -23.9055 -23.9024 -21.8963 -21.8928 -21.7979 -21.7911 -18.9969 -18.9968 -8.6063 -8.5875 -8.2079 -8.1818 -7.4515 -7.4487 -2.7015 -2.6824 -2.4621 -2.4383 -2.3999 -2.3954 3.3787 3.3805 5.0512 5.0668 5.2989 5.3133 5.8233 5.8661 6.0359 6.1410 6.6565 6.6876 6.8764 6.8893 7.1313 7.1343 7.3456 7.3923 11.1094 11.1772 12.6913 12.7271 12.9343 12.9674 14.8905 14.9171 k = 0.5000 0.1137-0.1173 ( 2462 PWs) bands (ev): -46.2383 -46.2383 -23.9067 -23.9034 -21.8972 -21.8934 -21.8006 -21.7933 -18.9966 -18.9965 -8.5859 -8.5658 -8.1949 -8.1671 -7.4530 -7.4499 -2.7046 -2.6844 -2.4645 -2.4398 -2.4028 -2.3986 3.3785 3.3805 4.9986 5.0136 5.2544 5.2685 5.7613 5.8035 5.9828 6.0914 6.6450 6.6821 6.9267 6.9377 7.1734 7.1769 7.3343 7.3765 11.1535 11.2239 12.7002 12.7372 12.9422 12.9770 14.9918 15.0190 k = 0.5000 0.1226-0.1262 ( 2462 PWs) bands (ev): -46.2382 -46.2382 -23.9079 -23.9043 -21.8982 -21.8941 -21.8034 -21.7957 -18.9962 -18.9961 -8.5640 -8.5427 -8.1809 -8.1515 -7.4545 -7.4511 -2.7082 -2.6867 -2.4672 -2.4421 -2.4053 -2.4019 3.3784 3.3805 4.9468 4.9613 5.2082 5.2222 5.6989 5.7396 5.9278 6.0375 6.6304 6.6726 6.9777 6.9874 7.2152 7.2195 7.3230 7.3601 11.2025 11.2750 12.7107 12.7488 12.9511 12.9876 15.0970 15.1247 k = 0.5000 0.1315-0.1351 ( 2460 PWs) bands (ev): -46.2381 -46.2381 -23.9091 -23.9054 -21.8991 -21.8949 -21.8064 -21.7983 -18.9958 -18.9957 -8.5406 -8.5183 -8.1659 -8.1351 -7.4559 -7.4523 -2.7121 -2.6896 -2.4704 -2.4455 -2.4077 -2.4050 3.3782 3.3805 4.8962 4.9102 5.1603 5.1743 5.6365 5.6750 5.8711 5.9803 6.6119 6.6584 7.0287 7.0375 7.2538 7.2603 7.3159 7.3461 11.2562 11.3304 12.7229 12.7620 12.9611 12.9992 15.2055 15.2336 k = 0.5000 0.1404-0.1440 ( 2460 PWs) bands (ev): -46.2380 -46.2380 -23.9104 -23.9065 -21.9002 -21.8957 -21.8095 -21.8010 -18.9954 -18.9953 -8.5159 -8.4927 -8.1499 -8.1178 -7.4573 -7.4534 -2.7163 -2.6928 -2.4741 -2.4498 -2.4102 -2.4078 3.3781 3.3805 4.8467 4.8604 5.1108 5.1251 5.5746 5.6106 5.8130 5.9202 6.5884 6.6383 7.0794 7.0874 7.2768 7.2918 7.3265 7.3433 11.3144 11.3899 12.7367 12.7768 12.9723 13.0120 15.3169 15.3451 k = 0.5000 0.1492-0.1529 ( 2456 PWs) bands (ev): -46.2378 -46.2378 -23.9118 -23.9077 -21.9012 -21.8966 -21.8127 -21.8038 -18.9949 -18.9948 -8.4899 -8.4658 -8.1329 -8.0997 -7.4587 -7.4544 -2.7209 -2.6965 -2.4784 -2.4549 -2.4133 -2.4099 3.3781 3.3806 4.7988 4.8121 5.0597 5.0743 5.5139 5.5471 5.7536 5.8579 6.5590 6.6113 7.1293 7.1369 7.2793 7.2990 7.3608 7.3682 11.3765 11.4529 12.7521 12.7932 12.9847 13.0260 15.4307 15.4589 k = 0.5000 0.1581-0.1618 ( 2462 PWs) bands (ev): -46.2378 -46.2378 -23.9132 -23.9090 -21.9023 -21.8976 -21.8161 -21.8068 -18.9945 -18.9944 -8.4626 -8.4378 -8.1151 -8.0810 -7.4599 -7.4553 -2.7259 -2.7007 -2.4833 -2.4608 -2.4168 -2.4118 3.3780 3.3807 4.7524 4.7656 5.0070 5.0220 5.4546 5.4849 5.6931 5.7937 6.5229 6.5766 7.1782 7.1854 7.2794 7.2967 7.4018 7.4072 11.4422 11.5193 12.7691 12.8111 12.9983 13.0412 15.5462 15.5742 k = 0.5000 0.1670-0.1707 ( 2462 PWs) bands (ev): -46.2377 -46.2377 -23.9146 -23.9103 -21.9035 -21.8986 -21.8195 -21.8099 -18.9940 -18.9939 -8.4342 -8.4087 -8.0964 -8.0615 -7.4610 -7.4561 -2.7313 -2.7053 -2.4887 -2.4673 -2.4205 -2.4137 3.3780 3.3808 4.7077 4.7208 4.9527 4.9681 5.3973 5.4246 5.6318 5.7283 6.4799 6.5339 7.2251 7.2325 7.2839 7.2972 7.4439 7.4488 11.5111 11.5886 12.7876 12.8306 13.0132 13.0575 15.6631 15.6907 k = 0.5000 0.1758-0.1796 ( 2462 PWs) bands (ev): -46.2376 -46.2376 -23.9161 -23.9116 -21.9046 -21.8996 -21.8230 -21.8131 -18.9935 -18.9934 -8.4046 -8.3787 -8.0769 -8.0414 -7.4620 -7.4568 -2.7370 -2.7103 -2.4947 -2.4743 -2.4245 -2.4159 3.3780 3.3810 4.6647 4.6779 4.8969 4.9128 5.3420 5.3665 5.5699 5.6619 6.4302 6.4834 7.2658 7.2755 7.2987 7.3050 7.4860 7.4907 11.5829 11.6604 12.8077 12.8516 13.0293 13.0751 15.7808 15.8078 k = 0.5000 0.1847-0.1885 ( 2458 PWs) bands (ev): -46.2374 -46.2374 -23.9177 -23.9130 -21.9058 -21.9007 -21.8265 -21.8164 -18.9929 -18.9928 -8.3740 -8.3478 -8.0566 -8.0208 -7.4629 -7.4573 -2.7431 -2.7157 -2.5011 -2.4817 -2.4288 -2.4185 3.3781 3.3811 4.6234 4.6369 4.8397 4.8562 5.2891 5.3109 5.5076 5.5949 6.3741 6.4258 7.2902 7.3030 7.3307 7.3351 7.5277 7.5322 11.6569 11.7344 12.8292 12.8740 13.0467 13.0939 15.8989 15.9251 k = 0.5000 0.1936-0.1974 ( 2460 PWs) bands (ev): -46.2373 -46.2373 -23.9192 -23.9145 -21.9070 -21.9019 -21.8301 -21.8198 -18.9924 -18.9923 -8.3425 -8.3162 -8.0356 -7.9996 -7.4636 -7.4576 -2.7494 -2.7215 -2.5080 -2.4896 -2.4336 -2.4216 3.3781 3.3813 4.5836 4.5977 4.7814 4.7985 5.2386 5.2580 5.4452 5.5277 6.3125 6.3620 7.3089 7.3202 7.3730 7.3780 7.5686 7.5731 11.7329 11.8101 12.8522 12.8979 13.0654 13.1138 16.0167 16.0421 k = 0.5000 0.2025-0.2063 ( 2458 PWs) bands (ev): -46.2372 -46.2372 -23.9208 -23.9160 -21.9083 -21.9031 -21.8337 -21.8232 -18.9918 -18.9917 -8.3102 -8.2838 -8.0138 -7.9780 -7.4641 -7.4577 -2.7561 -2.7277 -2.5153 -2.4977 -2.4387 -2.4253 3.3782 3.3815 4.5451 4.5600 4.7225 4.7403 5.1907 5.2079 5.3830 5.4606 6.2461 6.2930 7.3297 7.3394 7.4167 7.4217 7.6086 7.6131 11.8104 11.8873 12.8766 12.9231 13.0852 13.1349 16.1338 16.1580 k = 0.5000 0.2113-0.2152 ( 2454 PWs) bands (ev): -46.2370 -46.2370 -23.9224 -23.9175 -21.9095 -21.9043 -21.8373 -21.8267 -18.9912 -18.9911 -8.2771 -8.2508 -7.9914 -7.9560 -7.4644 -7.4576 -2.7631 -2.7342 -2.5230 -2.5061 -2.4444 -2.4296 3.3783 3.3816 4.5075 4.5236 4.6637 4.6823 5.1451 5.1605 5.3210 5.3938 6.1758 6.2197 7.3533 7.3620 7.4598 7.4648 7.6477 7.6521 11.8891 11.9655 12.9024 12.9496 13.1063 13.1571 16.2494 16.2724 k = 0.5000 0.2202-0.2241 ( 2458 PWs) bands (ev): -46.2369 -46.2369 -23.9240 -23.9190 -21.9108 -21.9056 -21.8410 -21.8302 -18.9906 -18.9905 -8.2433 -8.2173 -7.9683 -7.9337 -7.4644 -7.4572 -2.7703 -2.7411 -2.5310 -2.5148 -2.4507 -2.4346 3.3783 3.3818 4.4696 4.4875 4.6060 4.6256 5.1020 5.1156 5.2596 5.3277 6.1024 6.1430 7.3798 7.3875 7.5021 7.5071 7.6856 7.6901 11.9686 12.0444 12.9294 12.9772 13.1285 13.1804 16.3628 16.3843 k = 0.5000 0.2291-0.2330 ( 2458 PWs) bands (ev): -46.2368 -46.2368 -23.9256 -23.9206 -21.9121 -21.9069 -21.8446 -21.8338 -18.9900 -18.9899 -8.2090 -8.1835 -7.9447 -7.9111 -7.4643 -7.4566 -2.7778 -2.7482 -2.5392 -2.5237 -2.4576 -2.4403 3.3783 3.3819 4.4302 4.4499 4.5516 4.5721 5.0610 5.0733 5.1989 5.2625 6.0266 6.0639 7.4087 7.4157 7.5435 7.5484 7.7225 7.7269 12.0486 12.1237 12.9577 13.0061 13.1518 13.2046 16.4732 16.4929 k = 0.5000 0.2379-0.2419 ( 2454 PWs) bands (ev): -46.2366 -46.2366 -23.9272 -23.9222 -21.9134 -21.9083 -21.8483 -21.8373 -18.9893 -18.9892 -8.1743 -8.1493 -7.9206 -7.8883 -7.4639 -7.4558 -2.7855 -2.7555 -2.5477 -2.5326 -2.4650 -2.4468 3.3782 3.3819 4.3872 4.4080 4.5035 4.5239 5.0222 5.0333 5.1392 5.1984 5.9492 5.9831 7.4397 7.4461 7.5839 7.5887 7.7581 7.7626 12.1287 12.2031 12.9871 13.0360 13.1761 13.2298 16.5795 16.5971 k = 0.5000 0.2468-0.2508 ( 2446 PWs) bands (ev): -46.2364 -46.2364 -23.9288 -23.9238 -21.9147 -21.9097 -21.8518 -21.8409 -18.9887 -18.9886 -8.1393 -8.1150 -7.8959 -7.8654 -7.4633 -7.4547 -2.7934 -2.7631 -2.5563 -2.5417 -2.4732 -2.4540 3.3781 3.3818 4.3392 4.3595 4.4641 4.4828 4.9853 4.9955 5.0805 5.1356 5.8708 5.9013 7.4726 7.4784 7.6232 7.6279 7.7925 7.7970 12.2087 12.2823 13.0177 13.0669 13.2015 13.2558 16.6804 16.6956 k = 0.5000 0.2557-0.2597 ( 2442 PWs) bands (ev): -46.2362 -46.2362 -23.9305 -23.9254 -21.9161 -21.9111 -21.8554 -21.8445 -18.9880 -18.9879 -8.1041 -8.0806 -7.8708 -7.8424 -7.4624 -7.4533 -2.8014 -2.7709 -2.5650 -2.5509 -2.4819 -2.4618 3.3778 3.3817 4.2862 4.3051 4.4328 4.4489 4.9502 4.9596 5.0232 5.0745 5.7920 5.8191 7.5069 7.5123 7.6616 7.6662 7.8255 7.8301 12.2882 12.3609 13.0492 13.0987 13.2278 13.2826 16.7745 16.7869 k = 0.5000 0.2646-0.2686 ( 2442 PWs) bands (ev): -46.2361 -46.2361 -23.9321 -23.9270 -21.9174 -21.9126 -21.8588 -21.8480 -18.9873 -18.9873 -8.0690 -8.0462 -7.8454 -7.8195 -7.4612 -7.4517 -2.8096 -2.7790 -2.5738 -2.5602 -2.4912 -2.4704 3.3774 3.3813 4.2297 4.2471 4.4075 4.4212 4.9166 4.9255 4.9674 5.0153 5.7133 5.7371 7.5425 7.5474 7.6989 7.7035 7.8573 7.8619 12.3669 12.4388 13.0816 13.1312 13.2549 13.3100 16.8600 16.8693 k = 0.5000 0.2734-0.2775 ( 2442 PWs) bands (ev): -46.2359 -46.2359 -23.9337 -23.9286 -21.9188 -21.9141 -21.8622 -21.8515 -18.9867 -18.9866 -8.0341 -8.0118 -7.8196 -7.7967 -7.4598 -7.4498 -2.8179 -2.7871 -2.5826 -2.5694 -2.5012 -2.4797 3.3768 3.3808 4.1711 4.1875 4.3861 4.3980 4.8841 4.8925 4.9138 4.9585 5.6352 5.6558 7.5790 7.5836 7.7352 7.7398 7.8877 7.8923 12.4447 12.5157 13.1149 13.1644 13.2827 13.3381 16.9349 16.9410 k = 0.5000 0.2823-0.2864 ( 2438 PWs) bands (ev): -46.2358 -46.2358 -23.9352 -23.9302 -21.9201 -21.9157 -21.8655 -21.8550 -18.9860 -18.9860 -7.9995 -7.9775 -7.7935 -7.7740 -7.4581 -7.4476 -2.8263 -2.7954 -2.5914 -2.5786 -2.5116 -2.4896 3.3760 3.3800 4.1119 4.1274 4.3676 4.3783 4.8519 4.8554 4.8677 4.9050 5.5582 5.5757 7.6163 7.6205 7.7705 7.7750 7.9167 7.9214 12.5211 12.5913 13.1489 13.1982 13.3113 13.3666 16.9971 17.0012 k = 0.5000 0.2912-0.2953 ( 2432 PWs) bands (ev): -46.2356 -46.2355 -23.9367 -23.9318 -21.9215 -21.9172 -21.8687 -21.8584 -18.9853 -18.9853 -7.9656 -7.9435 -7.7673 -7.7515 -7.4562 -7.4451 -2.8347 -2.8039 -2.6002 -2.5878 -2.5226 -2.5000 3.3750 3.3790 4.0526 4.0675 4.3513 4.3611 4.8073 4.8181 4.8360 4.8571 5.4828 5.4972 7.6541 7.6579 7.8047 7.8093 7.9444 7.9492 12.5961 12.6653 13.1836 13.2324 13.3405 13.3955 17.0444 17.0500 k = 0.5000 0.3000-0.3042 ( 2434 PWs) bands (ev): -46.2355 -46.2355 -23.9383 -23.9334 -21.9228 -21.9188 -21.8718 -21.8617 -18.9847 -18.9846 -7.9326 -7.9096 -7.7411 -7.7292 -7.4539 -7.4424 -2.8432 -2.8124 -2.6089 -2.5969 -2.5339 -2.5110 3.3736 3.3777 3.9941 4.0083 4.3366 4.3458 4.7592 4.7791 4.8080 4.8182 5.4092 5.4208 7.6921 7.6956 7.8380 7.8426 7.9707 7.9756 12.6693 12.7375 13.2188 13.2670 13.3702 13.4247 17.0777 17.0865 k = 0.5000 0.3089-0.3131 ( 2436 PWs) bands (ev): -46.2354 -46.2354 -23.9397 -23.9350 -21.9242 -21.9204 -21.8748 -21.8650 -18.9840 -18.9840 -7.9005 -7.8761 -7.7151 -7.7070 -7.4514 -7.4394 -2.8516 -2.8210 -2.6174 -2.6058 -2.5456 -2.5223 3.3719 3.3761 3.9365 3.9502 4.3228 4.3316 4.7134 4.7359 4.7817 4.7875 5.3380 5.3468 7.7302 7.7334 7.8702 7.8748 7.9957 8.0006 12.7405 12.8077 13.2544 13.3017 13.4004 13.4541 17.0989 17.1110 k = 0.5000 0.3178-0.3220 ( 2436 PWs) bands (ev): -46.2353 -46.2353 -23.9412 -23.9365 -21.9255 -21.9220 -21.8776 -21.8681 -18.9834 -18.9833 -7.8696 -7.8429 -7.6901 -7.6842 -7.4486 -7.4361 -2.8600 -2.8296 -2.6258 -2.6146 -2.5576 -2.5341 3.3699 3.3741 3.8804 3.8935 4.3096 4.3179 4.6703 4.6928 4.7569 4.7610 5.2694 5.2757 7.7682 7.7712 7.9015 7.9061 8.0193 8.0244 12.8094 12.8755 13.2905 13.3366 13.4310 13.4836 17.1098 17.1251 k = 0.5000 0.3267-0.3309 ( 2438 PWs) bands (ev): -46.2352 -46.2352 -23.9426 -23.9381 -21.9269 -21.9237 -21.8803 -21.8712 -18.9828 -18.9827 -7.8399 -7.8105 -7.6675 -7.6596 -7.4455 -7.4326 -2.8683 -2.8382 -2.6340 -2.6232 -2.5696 -2.5460 3.3674 3.3716 3.8260 3.8384 4.2962 4.3041 4.6307 4.6522 4.7335 4.7367 5.2037 5.2078 7.8059 7.8086 7.9316 7.9363 8.0416 8.0468 12.8759 12.9408 13.3268 13.3714 13.4619 13.5131 17.1127 17.1306 k = 0.5000 0.3355-0.3398 ( 2436 PWs) bands (ev): -46.2350 -46.2350 -23.9439 -23.9395 -21.9282 -21.9253 -21.8828 -21.8741 -18.9821 -18.9821 -7.8116 -7.7788 -7.6466 -7.6341 -7.4421 -7.4288 -2.8765 -2.8468 -2.6419 -2.6316 -2.5818 -2.5582 3.3646 3.3687 3.7734 3.7850 4.2821 4.2895 4.5949 4.6150 4.7114 4.7140 5.1412 5.1433 7.8431 7.8456 7.9607 7.9655 8.0626 8.0679 12.9396 13.0032 13.3633 13.4060 13.4931 13.5425 17.1095 17.1297 k = 0.5000 0.3444-0.3487 ( 2434 PWs) bands (ev): -46.2349 -46.2349 -23.9452 -23.9410 -21.9295 -21.9269 -21.8852 -21.8769 -18.9815 -18.9815 -7.7846 -7.7482 -7.6266 -7.6087 -7.4384 -7.4248 -2.8846 -2.8554 -2.6496 -2.6397 -2.5939 -2.5704 3.3612 3.3654 3.7229 3.7337 4.2666 4.2732 4.5638 4.5822 4.6904 4.6926 5.0822 5.0826 7.8796 7.8819 7.9887 7.9936 8.0822 8.0877 13.0004 13.0624 13.3998 13.4403 13.5244 13.5717 17.1019 17.1242 k = 0.5000 0.3533-0.3576 ( 2436 PWs) bands (ev): -46.2348 -46.2348 -23.9464 -23.9424 -21.9308 -21.9285 -21.8875 -21.8796 -18.9809 -18.9809 -7.7590 -7.7191 -7.6071 -7.5837 -7.4345 -7.4206 -2.8924 -2.8639 -2.6570 -2.6476 -2.6059 -2.5826 3.3574 3.3616 3.6746 3.6846 4.2492 4.2549 4.5376 4.5541 4.6704 4.6723 5.0257 5.0268 7.9152 7.9174 8.0156 8.0207 8.1006 8.1063 13.0581 13.1183 13.4364 13.4742 13.5557 13.6006 17.0914 17.1155 k = 0.5000 0.3622-0.3665 ( 2438 PWs) bands (ev): -46.2347 -46.2347 -23.9476 -23.9437 -21.9321 -21.9301 -21.8896 -21.8821 -18.9804 -18.9803 -7.7348 -7.6916 -7.5880 -7.5593 -7.4303 -7.4161 -2.9001 -2.8723 -2.6640 -2.6552 -2.6176 -2.5947 3.3532 3.3573 3.6287 3.6379 4.2295 4.2341 4.5166 4.5312 4.6515 4.6530 4.9730 4.9752 7.9498 7.9518 8.0413 8.0466 8.1178 8.1237 13.1126 13.1707 13.4727 13.5075 13.5869 13.6290 17.0791 17.1048 k = 0.5000 0.3710-0.3754 ( 2440 PWs) bands (ev): -46.2347 -46.2347 -23.9487 -23.9450 -21.9334 -21.9317 -21.8915 -21.8845 -18.9798 -18.9798 -7.7121 -7.6661 -7.5693 -7.5357 -7.4258 -7.4115 -2.9074 -2.8806 -2.6707 -2.6624 -2.6290 -2.6066 3.3484 3.3524 3.5852 3.5936 4.2076 4.2112 4.5007 4.5132 4.6335 4.6347 4.9244 4.9276 7.9831 7.9850 8.0657 8.0713 8.1337 8.1399 13.1636 13.2192 13.5086 13.5401 13.6179 13.6569 17.0660 17.0933 k = 0.5000 0.3799-0.3843 ( 2438 PWs) bands (ev): -46.2346 -46.2346 -23.9497 -23.9462 -21.9346 -21.9332 -21.8933 -21.8868 -18.9793 -18.9793 -7.6907 -7.6429 -7.5507 -7.5131 -7.4211 -7.4067 -2.9145 -2.8886 -2.6770 -2.6693 -2.6399 -2.6182 3.3432 3.3471 3.5445 3.5519 4.1839 4.1865 4.4892 4.4998 4.6164 4.6172 4.8801 4.8839 8.0149 8.0168 8.0889 8.0948 8.1484 8.1550 13.2111 13.2639 13.5440 13.5719 13.6485 13.6843 17.0529 17.0816 k = 0.5000 0.3888-0.3932 ( 2438 PWs) bands (ev): -46.2345 -46.2345 -23.9507 -23.9474 -21.9358 -21.9346 -21.8949 -21.8889 -18.9788 -18.9788 -7.6709 -7.6223 -7.5322 -7.4916 -7.4162 -7.4018 -2.9212 -2.8965 -2.6829 -2.6758 -2.6504 -2.6295 3.3376 3.3414 3.5064 3.5130 4.1591 4.1608 4.4815 4.4903 4.6002 4.6007 4.8401 4.8441 8.0451 8.0471 8.1108 8.1170 8.1620 8.1691 13.2550 13.3045 13.5786 13.6026 13.6784 13.7108 17.0404 17.0705 k = 0.5000 0.3976-0.4021 ( 2440 PWs) bands (ev): -46.2344 -46.2344 -23.9516 -23.9485 -21.9369 -21.9360 -21.8963 -21.8908 -18.9783 -18.9783 -7.6525 -7.6043 -7.5138 -7.4714 -7.4111 -7.3968 -2.9275 -2.9041 -2.6884 -2.6819 -2.6602 -2.6403 3.3316 3.3352 3.4712 3.4769 4.1339 4.1349 4.4768 4.4841 4.5848 4.5849 4.8042 4.8084 8.0736 8.0756 8.1312 8.1379 8.1745 8.1821 13.2952 13.3412 13.6119 13.6320 13.7074 13.7365 17.0290 17.0604 k = 0.5000 0.4065-0.4110 ( 2440 PWs) bands (ev): -46.2343 -46.2343 -23.9524 -23.9496 -21.9380 -21.9373 -21.8976 -21.8926 -18.9779 -18.9779 -7.6356 -7.5891 -7.4957 -7.4527 -7.4059 -7.3918 -2.9333 -2.9114 -2.6934 -2.6875 -2.6693 -2.6505 3.3254 3.3287 3.4388 3.4437 4.1089 4.1095 4.4744 4.4804 4.5700 4.5702 4.7724 4.7765 8.1001 8.1021 8.1500 8.1574 8.1858 8.1941 13.3319 13.3740 13.6438 13.6600 13.7354 13.7611 17.0192 17.0519 k = 0.5000 0.4154-0.4199 ( 2440 PWs) bands (ev): -46.2343 -46.2343 -23.9531 -23.9505 -21.9390 -21.9385 -21.8988 -21.8943 -18.9775 -18.9775 -7.6201 -7.5763 -7.4781 -7.4357 -7.4005 -7.3867 -2.9386 -2.9184 -2.6980 -2.6928 -2.6777 -2.6602 3.3190 3.3221 3.4093 3.4135 4.0849 4.0852 4.4736 4.4786 4.5560 4.5564 4.7445 4.7484 8.1244 8.1266 8.1673 8.1755 8.1962 8.2054 13.3649 13.4031 13.6737 13.6863 13.7620 13.7845 17.0114 17.0450 k = 0.5000 0.4243-0.4288 ( 2444 PWs) bands (ev): -46.2343 -46.2343 -23.9538 -23.9514 -21.9400 -21.9396 -21.8998 -21.8958 -18.9771 -18.9771 -7.6061 -7.5659 -7.4614 -7.4206 -7.3950 -7.3818 -2.9435 -2.9250 -2.7021 -2.6976 -2.6853 -2.6692 3.3125 3.3153 3.3829 3.3863 4.0622 4.0625 4.4741 4.4782 4.5429 4.5436 4.7203 4.7239 8.1464 8.1487 8.1829 8.1919 8.2057 8.2158 13.3945 13.4285 13.7013 13.7107 13.7869 13.8065 17.0056 17.0402 k = 0.5000 0.4331-0.4377 ( 2444 PWs) bands (ev): -46.2342 -46.2342 -23.9543 -23.9523 -21.9408 -21.9406 -21.9006 -21.8971 -18.9768 -18.9768 -7.5936 -7.5574 -7.4459 -7.4079 -7.3891 -7.3769 -2.9477 -2.9311 -2.7057 -2.7019 -2.6920 -2.6774 3.3062 3.3087 3.3594 3.3621 4.0415 4.0418 4.4754 4.4787 4.5310 4.5318 4.6996 4.7028 8.1660 8.1684 8.1967 8.2061 8.2150 8.2257 13.4206 13.4504 13.7264 13.7330 13.8100 13.8268 17.0021 17.0373 k = 0.5000 0.4420-0.4466 ( 2446 PWs) bands (ev): -46.2342 -46.2342 -23.9548 -23.9530 -21.9416 -21.9414 -21.9014 -21.8983 -18.9765 -18.9765 -7.5824 -7.5508 -7.4318 -7.3981 -7.3825 -7.3723 -2.9513 -2.9367 -2.7088 -2.7058 -2.6978 -2.6849 3.3001 3.3023 3.3389 3.3411 4.0229 4.0233 4.4772 4.4798 4.5202 4.5211 4.6822 4.6849 8.1829 8.1854 8.2085 8.2168 8.2251 8.2349 13.4434 13.4690 13.7487 13.7530 13.8310 13.8451 17.0008 17.0363 k = 0.5000 0.4509-0.4555 ( 2454 PWs) bands (ev): -46.2343 -46.2343 -23.9552 -23.9537 -21.9423 -21.9422 -21.9019 -21.8994 -18.9763 -18.9763 -7.5726 -7.5458 -7.4193 -7.3913 -7.3751 -7.3678 -2.9543 -2.9419 -2.7114 -2.7091 -2.7027 -2.6915 3.2945 3.2963 3.3215 3.3232 4.0068 4.0073 4.4792 4.4813 4.5107 4.5117 4.6677 4.6700 8.1971 8.1997 8.2185 8.2243 8.2360 8.2436 13.4629 13.4844 13.7678 13.7705 13.8496 13.8613 17.0015 17.0365 k = 0.5000 0.4597-0.4644 ( 2444 PWs) bands (ev): -46.2341 -46.2341 -23.9555 -23.9542 -21.9429 -21.9428 -21.9024 -21.9003 -18.9761 -18.9761 -7.5641 -7.5422 -7.4087 -7.3868 -7.3681 -7.3636 -2.9566 -2.9463 -2.7135 -2.7119 -2.7067 -2.6973 3.2895 3.2910 3.3070 3.3083 3.9933 3.9937 4.4813 4.4828 4.5028 4.5037 4.6561 4.6579 8.2085 8.2112 8.2268 8.2301 8.2460 8.2514 13.4794 13.4967 13.7839 13.7853 13.8656 13.8750 17.0039 17.0370 k = 0.5000 0.4686-0.4733 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9557 -23.9547 -21.9434 -21.9433 -21.9026 -21.9011 -18.9759 -18.9759 -7.5569 -7.5401 -7.4000 -7.3840 -7.3621 -7.3599 -2.9582 -2.9502 -2.7150 -2.7142 -2.7096 -2.7021 3.2854 3.2865 3.2956 3.2966 3.9825 3.9829 4.4830 4.4841 4.4964 4.4972 4.6471 4.6485 8.2171 8.2197 8.2335 8.2350 8.2544 8.2580 13.4927 13.5059 13.7967 13.7973 13.8788 13.8860 17.0073 17.0360 k = 0.5000 0.4775-0.4822 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9551 -21.9437 -21.9437 -21.9028 -21.9017 -18.9758 -18.9758 -7.5510 -7.5391 -7.3932 -7.3824 -7.3576 -7.3568 -2.9591 -2.9535 -2.7162 -2.7158 -2.7115 -2.7061 3.2822 3.2829 3.2872 3.2878 3.9745 3.9748 4.4843 4.4850 4.4919 4.4924 4.6406 4.6415 8.2233 8.2253 8.2385 8.2391 8.2609 8.2632 13.5030 13.5123 13.8061 13.8064 13.8890 13.8940 17.0109 17.0320 k = 0.5000 0.4864-0.4911 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9554 -21.9440 -21.9440 -21.9028 -21.9022 -18.9757 -18.9757 -7.5463 -7.5394 -7.3881 -7.3821 -7.3547 -7.3546 -2.9593 -2.9560 -2.7170 -2.7169 -2.7123 -2.7091 3.2801 3.2805 3.2818 3.2821 3.9693 3.9695 4.4848 4.4851 4.4895 4.4896 4.6364 4.6370 8.2272 8.2285 8.2419 8.2420 8.2653 8.2665 13.5104 13.5157 13.8123 13.8123 13.8961 13.8989 17.0144 17.0264 k = 0.5000 0.4952-0.5000 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9557 -21.9441 -21.9441 -21.9027 -21.9025 -18.9757 -18.9757 -7.5427 -7.5409 -7.3846 -7.3831 -7.3535 -7.3535 -2.9587 -2.9578 -2.7174 -2.7174 -2.7120 -2.7111 3.2791 3.2791 3.2795 3.2795 3.9669 3.9669 4.4847 4.4847 4.4888 4.4888 4.6346 4.6348 8.2293 8.2296 8.2435 8.2435 8.2676 8.2679 13.5148 13.5162 13.8151 13.8151 13.8999 13.9007 17.0180 17.0211 k = 0.5032 0.4984 0.4936 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9557 -21.9441 -21.9441 -21.9027 -21.9025 -18.9757 -18.9757 -7.5427 -7.5409 -7.3846 -7.3831 -7.3535 -7.3535 -2.9587 -2.9578 -2.7174 -2.7174 -2.7120 -2.7111 3.2791 3.2791 3.2795 3.2795 3.9669 3.9669 4.4847 4.4847 4.4888 4.4888 4.6346 4.6348 8.2293 8.2296 8.2435 8.2435 8.2676 8.2679 13.5148 13.5162 13.8151 13.8151 13.8999 13.9007 17.0180 17.0211 k = 0.5000 0.4984 0.4968 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9557 -23.9557 -21.9441 -21.9441 -21.9026 -21.9026 -18.9757 -18.9757 -7.5418 -7.5418 -7.3838 -7.3838 -7.3534 -7.3534 -2.9583 -2.9583 -2.7174 -2.7174 -2.7116 -2.7116 3.2790 3.2790 3.2794 3.2794 3.9667 3.9667 4.4846 4.4846 4.4887 4.4887 4.6346 4.6346 8.2296 8.2296 8.2436 8.2436 8.2679 8.2679 13.5157 13.5157 13.8153 13.8153 13.9005 13.9005 17.0195 17.0195 k = 0.5000 0.4984 0.4968 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9557 -23.9557 -21.9441 -21.9441 -21.9026 -21.9026 -18.9757 -18.9757 -7.5418 -7.5418 -7.3838 -7.3838 -7.3534 -7.3534 -2.9583 -2.9583 -2.7174 -2.7174 -2.7116 -2.7116 3.2790 3.2790 3.2794 3.2794 3.9667 3.9667 4.4846 4.4846 4.4887 4.4887 4.6346 4.6346 8.2296 8.2296 8.2436 8.2436 8.2679 8.2679 13.5157 13.5157 13.8153 13.8153 13.9005 13.9005 17.0195 17.0195 k = 0.4926 0.4911 0.4895 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9557 -23.9557 -21.9440 -21.9440 -21.9026 -21.9026 -18.9757 -18.9757 -7.5424 -7.5424 -7.3846 -7.3846 -7.3540 -7.3540 -2.9579 -2.9579 -2.7171 -2.7171 -2.7111 -2.7111 3.2802 3.2806 3.2807 3.2807 3.9679 3.9679 4.4853 4.4853 4.4893 4.4895 4.6345 4.6345 8.2284 8.2284 8.2423 8.2425 8.2672 8.2672 13.5142 13.5142 13.8132 13.8142 13.8989 13.8989 17.0213 17.0213 k = 0.4853 0.4837 0.4822 ( 2443 PWs) bands (ev): -46.2340 -46.2340 -23.9555 -23.9555 -21.9438 -21.9438 -21.9024 -21.9024 -18.9757 -18.9757 -7.5445 -7.5445 -7.3870 -7.3870 -7.3558 -7.3557 -2.9568 -2.9568 -2.7163 -2.7163 -2.7095 -2.7095 3.2844 3.2849 3.2849 3.2851 3.9714 3.9714 4.4873 4.4873 4.4911 4.4917 4.6345 4.6345 8.2250 8.2250 8.2388 8.2391 8.2653 8.2653 13.5098 13.5098 13.8080 13.8100 13.8941 13.8941 17.0267 17.0267 k = 0.4779 0.4764 0.4749 ( 2449 PWs) bands (ev): -46.2341 -46.2341 -23.9553 -23.9553 -21.9435 -21.9435 -21.9020 -21.9020 -18.9759 -18.9759 -7.5478 -7.5478 -7.3911 -7.3911 -7.3587 -7.3587 -2.9550 -2.9550 -2.7150 -2.7150 -2.7068 -2.7068 3.2914 3.2917 3.2917 3.2925 3.9772 3.9772 4.4907 4.4907 4.4944 4.4952 4.6344 4.6344 8.2192 8.2192 8.2329 8.2333 8.2622 8.2622 13.5024 13.5024 13.7997 13.8026 13.8861 13.8861 17.0355 17.0355 k = 0.4706 0.4691 0.4676 ( 2449 PWs) bands (ev): -46.2341 -46.2341 -23.9550 -23.9550 -21.9430 -21.9430 -21.9016 -21.9016 -18.9760 -18.9760 -7.5526 -7.5526 -7.3967 -7.3967 -7.3629 -7.3628 -2.9524 -2.9524 -2.7132 -2.7132 -2.7031 -2.7031 3.3012 3.3014 3.3014 3.3028 3.9853 3.9853 4.4955 4.4955 4.4989 4.5000 4.6344 4.6344 8.2112 8.2112 8.2248 8.2253 8.2578 8.2578 13.4922 13.4922 13.7882 13.7922 13.8749 13.8749 17.0478 17.0478 k = 0.4632 0.4618 0.4603 ( 2455 PWs) bands (ev): -46.2342 -46.2342 -23.9546 -23.9546 -21.9424 -21.9424 -21.9010 -21.9010 -18.9762 -18.9762 -7.5587 -7.5587 -7.4039 -7.4039 -7.3682 -7.3681 -2.9492 -2.9492 -2.7108 -2.7108 -2.6983 -2.6983 3.3137 3.3137 3.3139 3.3158 3.9956 3.9956 4.5016 4.5016 4.5048 4.5062 4.6347 4.6347 8.2010 8.2010 8.2144 8.2151 8.2523 8.2523 13.4793 13.4793 13.7737 13.7786 13.8606 13.8606 17.0632 17.0632 k = 0.4559 0.4544 0.4530 ( 2455 PWs) bands (ev): -46.2343 -46.2343 -23.9541 -23.9541 -21.9416 -21.9416 -21.9002 -21.9002 -18.9765 -18.9765 -7.5661 -7.5661 -7.4126 -7.4126 -7.3746 -7.3745 -2.9453 -2.9453 -2.7080 -2.7080 -2.6925 -2.6925 3.3287 3.3287 3.3295 3.3318 4.0079 4.0079 4.5091 4.5091 4.5121 4.5137 4.6352 4.6352 8.1885 8.1885 8.2019 8.2027 8.2456 8.2456 13.4635 13.4635 13.7561 13.7621 13.8433 13.8433 17.0817 17.0817 k = 0.4485 0.4471 0.4457 ( 2455 PWs) bands (ev): -46.2343 -46.2343 -23.9535 -23.9535 -21.9407 -21.9407 -21.8994 -21.8994 -18.9768 -18.9768 -7.5749 -7.5749 -7.4226 -7.4226 -7.3822 -7.3821 -2.9408 -2.9408 -2.7047 -2.7047 -2.6857 -2.6857 3.3464 3.3464 3.3478 3.3505 4.0223 4.0223 4.5179 4.5179 4.5208 4.5227 4.6363 4.6363 8.1740 8.1740 8.1873 8.1882 8.2378 8.2378 13.4451 13.4451 13.7356 13.7426 13.8229 13.8229 17.1030 17.1030 k = 0.4412 0.4398 0.4384 ( 2455 PWs) bands (ev): -46.2344 -46.2344 -23.9528 -23.9528 -21.9397 -21.9397 -21.8984 -21.8984 -18.9771 -18.9771 -7.5851 -7.5851 -7.4339 -7.4339 -7.3908 -7.3907 -2.9357 -2.9357 -2.7009 -2.7009 -2.6780 -2.6780 3.3668 3.3668 3.3688 3.3719 4.0385 4.0385 4.5282 4.5282 4.5308 4.5330 4.6380 4.6380 8.1573 8.1573 8.1707 8.1718 8.2288 8.2288 13.4241 13.4241 13.7122 13.7201 13.7996 13.7996 17.1268 17.1268 k = 0.4338 0.4324 0.4311 ( 2440 PWs) bands (ev): -46.2342 -46.2342 -23.9520 -23.9520 -21.9385 -21.9385 -21.8972 -21.8972 -18.9774 -18.9774 -7.5967 -7.5967 -7.4465 -7.4465 -7.4005 -7.4004 -2.9301 -2.9301 -2.6967 -2.6966 -2.6693 -2.6693 3.3898 3.3898 3.3926 3.3961 4.0565 4.0565 4.5398 4.5398 4.5423 4.5447 4.6407 4.6407 8.1388 8.1388 8.1522 8.1534 8.2188 8.2188 13.4007 13.4007 13.6859 13.6948 13.7734 13.7734 17.1527 17.1527 k = 0.4265 0.4251 0.4238 ( 2434 PWs) bands (ev): -46.2342 -46.2342 -23.9511 -23.9511 -21.9372 -21.9372 -21.8959 -21.8959 -18.9778 -18.9778 -7.6096 -7.6096 -7.4602 -7.4602 -7.4113 -7.4111 -2.9240 -2.9240 -2.6920 -2.6920 -2.6598 -2.6598 3.4153 3.4153 3.4191 3.4230 4.0760 4.0760 4.5529 4.5529 4.5551 4.5578 4.6446 4.6446 8.1184 8.1184 8.1319 8.1332 8.2078 8.2078 13.3748 13.3748 13.6569 13.6667 13.7443 13.7443 17.1803 17.1803 k = 0.4191 0.4178 0.4165 ( 2443 PWs) bands (ev): -46.2344 -46.2344 -23.9502 -23.9502 -21.9358 -21.9358 -21.8946 -21.8946 -18.9783 -18.9783 -7.6240 -7.6240 -7.4749 -7.4749 -7.4230 -7.4229 -2.9176 -2.9176 -2.6870 -2.6870 -2.6496 -2.6496 3.4433 3.4433 3.4482 3.4525 4.0968 4.0968 4.5674 4.5674 4.5694 4.5724 4.6500 4.6500 8.0962 8.0962 8.1099 8.1113 8.1957 8.1957 13.3466 13.3466 13.6251 13.6359 13.7125 13.7125 17.2092 17.2092 k = 0.4118 0.4105 0.4091 ( 2437 PWs) bands (ev): -46.2344 -46.2344 -23.9491 -23.9491 -21.9343 -21.9343 -21.8931 -21.8931 -18.9787 -18.9787 -7.6397 -7.6397 -7.4906 -7.4906 -7.4357 -7.4355 -2.9108 -2.9108 -2.6816 -2.6816 -2.6386 -2.6386 3.4739 3.4739 3.4800 3.4846 4.1188 4.1188 4.5832 4.5832 4.5851 4.5884 4.6572 4.6572 8.0724 8.0724 8.0863 8.0879 8.1827 8.1827 13.3162 13.3162 13.5906 13.6025 13.6781 13.6781 17.2388 17.2388 k = 0.4044 0.4031 0.4018 ( 2437 PWs) bands (ev): -46.2345 -46.2345 -23.9480 -23.9480 -21.9326 -21.9326 -21.8915 -21.8915 -18.9793 -18.9793 -7.6568 -7.6568 -7.5070 -7.5070 -7.4493 -7.4491 -2.9037 -2.9037 -2.6759 -2.6759 -2.6270 -2.6270 3.5068 3.5068 3.5142 3.5193 4.1416 4.1416 4.6006 4.6006 4.6023 4.6058 4.6665 4.6665 8.0472 8.0472 8.0613 8.0630 8.1686 8.1686 13.2837 13.2837 13.5537 13.5664 13.6411 13.6411 17.2685 17.2685 k = 0.3971 0.3958 0.3945 ( 2443 PWs) bands (ev): -46.2347 -46.2347 -23.9468 -23.9468 -21.9309 -21.9308 -21.8898 -21.8898 -18.9798 -18.9798 -7.6752 -7.6752 -7.5242 -7.5242 -7.4638 -7.4636 -2.8963 -2.8963 -2.6699 -2.6698 -2.6150 -2.6150 3.5421 3.5421 3.5509 3.5564 4.1651 4.1651 4.6193 4.6193 4.6209 4.6248 4.6783 4.6783 8.0206 8.0206 8.0349 8.0367 8.1537 8.1537 13.2491 13.2491 13.5142 13.5280 13.6017 13.6017 17.2975 17.2975 k = 0.3897 0.3885 0.3872 ( 2443 PWs) bands (ev): -46.2348 -46.2348 -23.9456 -23.9456 -21.9290 -21.9290 -21.8879 -21.8879 -18.9804 -18.9804 -7.6950 -7.6950 -7.5419 -7.5419 -7.4791 -7.4789 -2.8887 -2.8887 -2.6636 -2.6636 -2.6024 -2.6024 3.5798 3.5798 3.5900 3.5959 4.1890 4.1890 4.6395 4.6395 4.6411 4.6452 4.6930 4.6930 7.9928 7.9928 8.0074 8.0093 8.1379 8.1379 13.2126 13.2126 13.4725 13.4871 13.5599 13.5599 17.3253 17.3253 k = 0.3824 0.3811 0.3799 ( 2449 PWs) bands (ev): -46.2350 -46.2350 -23.9442 -23.9442 -21.9270 -21.9270 -21.8860 -21.8860 -18.9810 -18.9810 -7.7161 -7.7161 -7.5601 -7.5601 -7.4952 -7.4950 -2.8810 -2.8810 -2.6571 -2.6570 -2.5895 -2.5895 3.6196 3.6196 3.6314 3.6378 4.2131 4.2131 4.6612 4.6612 4.6628 4.6672 4.7107 4.7107 7.9639 7.9639 7.9788 7.9808 8.1213 8.1213 13.1743 13.1743 13.4284 13.4440 13.5158 13.5158 17.3508 17.3508 k = 0.3750 0.3738 0.3726 ( 2437 PWs) bands (ev): -46.2349 -46.2349 -23.9428 -23.9428 -21.9249 -21.9248 -21.8840 -21.8840 -18.9816 -18.9816 -7.7384 -7.7384 -7.5788 -7.5788 -7.5120 -7.5118 -2.8730 -2.8730 -2.6503 -2.6503 -2.5763 -2.5763 3.6617 3.6617 3.6751 3.6819 4.2371 4.2371 4.6845 4.6845 4.6860 4.6908 4.7318 4.7318 7.9340 7.9340 7.9492 7.9514 8.1039 8.1039 13.1341 13.1341 13.3822 13.3987 13.4696 13.4696 17.3731 17.3731 k = 0.3676 0.3665 0.3653 ( 2437 PWs) bands (ev): -46.2350 -46.2350 -23.9413 -23.9413 -21.9226 -21.9226 -21.8818 -21.8818 -18.9823 -18.9823 -7.7619 -7.7619 -7.5978 -7.5978 -7.5295 -7.5293 -2.8651 -2.8651 -2.6434 -2.6434 -2.5630 -2.5630 3.7058 3.7058 3.7210 3.7282 4.2611 4.2611 4.7093 4.7093 4.7108 4.7158 4.7564 4.7564 7.9034 7.9034 7.9189 7.9211 8.0857 8.0857 13.0923 13.0923 13.3339 13.3514 13.4213 13.4213 17.3912 17.3912 k = 0.3603 0.3591 0.3580 ( 2434 PWs) bands (ev): -46.2351 -46.2351 -23.9398 -23.9398 -21.9204 -21.9203 -21.8796 -21.8796 -18.9830 -18.9830 -7.7865 -7.7865 -7.6172 -7.6172 -7.5476 -7.5474 -2.8571 -2.8571 -2.6364 -2.6363 -2.5496 -2.5496 3.7520 3.7520 3.7690 3.7766 4.2850 4.2850 4.7359 4.7359 4.7372 4.7425 4.7844 4.7844 7.8720 7.8720 7.8879 7.8902 8.0668 8.0668 13.0489 13.0489 13.2837 13.3020 13.3710 13.3710 17.4039 17.4039 k = 0.3529 0.3518 0.3507 ( 2437 PWs) bands (ev): -46.2353 -46.2353 -23.9382 -23.9382 -21.9180 -21.9179 -21.8773 -21.8773 -18.9837 -18.9837 -7.8121 -7.8121 -7.6367 -7.6367 -7.5663 -7.5661 -2.8491 -2.8491 -2.6293 -2.6292 -2.5363 -2.5363 3.8001 3.8001 3.8191 3.8271 4.3089 4.3089 4.7641 4.7641 4.7652 4.7708 4.8160 4.8160 7.8401 7.8401 7.8564 7.8588 8.0473 8.0473 13.0038 13.0038 13.2315 13.2507 13.3189 13.3189 17.4103 17.4103 k = 0.3456 0.3445 0.3434 ( 2437 PWs) bands (ev): -46.2354 -46.2354 -23.9365 -23.9365 -21.9155 -21.9155 -21.8749 -21.8749 -18.9844 -18.9844 -7.8386 -7.8386 -7.6565 -7.6565 -7.5856 -7.5853 -2.8411 -2.8411 -2.6220 -2.6220 -2.5232 -2.5232 3.8500 3.8500 3.8710 3.8794 4.3328 4.3328 4.7940 4.7940 4.7949 4.8007 4.8510 4.8510 7.8078 7.8078 7.8244 7.8269 8.0272 8.0272 12.9573 12.9573 13.1777 13.1977 13.2650 13.2650 17.4094 17.4094 k = 0.3382 0.3372 0.3361 ( 2437 PWs) bands (ev): -46.2355 -46.2355 -23.9348 -23.9348 -21.9129 -21.9129 -21.8724 -21.8724 -18.9852 -18.9852 -7.8659 -7.8659 -7.6765 -7.6765 -7.6053 -7.6050 -2.8333 -2.8333 -2.6148 -2.6147 -2.5103 -2.5103 3.9017 3.9017 3.9248 3.9337 4.3569 4.3569 4.8256 4.8256 4.8262 4.8323 4.8893 4.8893 7.7753 7.7753 7.7922 7.7948 8.0065 8.0065 12.9093 12.9093 13.1221 13.1430 13.2095 13.2095 17.4002 17.4002 k = 0.3309 0.3298 0.3288 ( 2455 PWs) bands (ev): -46.2359 -46.2359 -23.9330 -23.9330 -21.9103 -21.9103 -21.8698 -21.8698 -18.9860 -18.9860 -7.8938 -7.8938 -7.6967 -7.6967 -7.6254 -7.6252 -2.8255 -2.8255 -2.6076 -2.6075 -2.4978 -2.4978 3.9551 3.9551 3.9803 3.9896 4.3816 4.3816 4.8588 4.8588 4.8591 4.8655 4.9308 4.9308 7.7425 7.7425 7.7598 7.7625 7.9853 7.9853 12.8599 12.8599 13.0650 13.0868 13.1524 13.1524 17.3823 17.3823 k = 0.3235 0.3225 0.3215 ( 2455 PWs) bands (ev): -46.2360 -46.2360 -23.9312 -23.9312 -21.9076 -21.9076 -21.8672 -21.8672 -18.9868 -18.9868 -7.9224 -7.9224 -7.7169 -7.7169 -7.6459 -7.6457 -2.8179 -2.8179 -2.6003 -2.6003 -2.4857 -2.4857 4.0100 4.0100 4.0375 4.0472 4.4070 4.4070 4.8938 4.8938 4.8938 4.9003 4.9751 4.9751 7.7098 7.7098 7.7274 7.7302 7.9637 7.9637 12.8092 12.8092 13.0065 13.0290 13.0940 13.0940 17.3554 17.3554 k = 0.3162 0.3152 0.3142 ( 2455 PWs) bands (ev): -46.2362 -46.2362 -23.9294 -23.9294 -21.9048 -21.9048 -21.8645 -21.8645 -18.9876 -18.9876 -7.9514 -7.9514 -7.7372 -7.7372 -7.6668 -7.6665 -2.8104 -2.8104 -2.5932 -2.5931 -2.4742 -2.4742 4.0664 4.0664 4.0963 4.1063 4.4334 4.4334 4.9301 4.9303 4.9303 4.9369 5.0222 5.0222 7.6771 7.6771 7.6951 7.6980 7.9417 7.9417 12.7574 12.7574 12.9466 12.9700 13.0342 13.0342 17.3195 17.3195 k = 0.3088 0.3078 0.3069 ( 2452 PWs) bands (ev): -46.2363 -46.2363 -23.9274 -23.9274 -21.9019 -21.9019 -21.8617 -21.8617 -18.9885 -18.9885 -7.9808 -7.9808 -7.7576 -7.7576 -7.6879 -7.6876 -2.8031 -2.8031 -2.5861 -2.5860 -2.4632 -2.4632 4.1241 4.1241 4.1564 4.1668 4.4611 4.4611 4.9681 4.9685 4.9685 4.9751 5.0716 5.0716 7.6446 7.6446 7.6630 7.6659 7.9193 7.9193 12.7044 12.7044 12.8855 12.9096 12.9732 12.9732 17.2750 17.2750 k = 0.3015 0.3005 0.2996 ( 2455 PWs) bands (ev): -46.2365 -46.2365 -23.9255 -23.9255 -21.8991 -21.8990 -21.8589 -21.8589 -18.9894 -18.9894 -8.0105 -8.0105 -7.7780 -7.7780 -7.7092 -7.7089 -2.7960 -2.7960 -2.5791 -2.5791 -2.4529 -2.4529 4.1830 4.1830 4.2179 4.2286 4.4902 4.4902 5.0079 5.0084 5.0084 5.0150 5.1232 5.1232 7.6124 7.6124 7.6311 7.6341 7.8967 7.8967 12.6504 12.6504 12.8232 12.8481 12.9112 12.9112 17.2224 17.2224 k = 0.2941 0.2932 0.2922 ( 2455 PWs) bands (ev): -46.2366 -46.2366 -23.9235 -23.9235 -21.8961 -21.8961 -21.8560 -21.8560 -18.9903 -18.9903 -8.0404 -8.0404 -7.7984 -7.7984 -7.7307 -7.7304 -2.7892 -2.7892 -2.5723 -2.5722 -2.4434 -2.4434 4.2431 4.2431 4.2806 4.2917 4.5211 4.5211 5.0493 5.0499 5.0499 5.0566 5.1767 5.1767 7.5807 7.5807 7.5997 7.6028 7.8738 7.8738 12.5954 12.5954 12.7600 12.7856 12.8481 12.8481 17.1625 17.1625 k = 0.2868 0.2859 0.2849 ( 2455 PWs) bands (ev): -46.2368 -46.2368 -23.9215 -23.9215 -21.8931 -21.8931 -21.8531 -21.8531 -18.9912 -18.9912 -8.0704 -8.0704 -7.8188 -7.8188 -7.7523 -7.7520 -2.7826 -2.7826 -2.5657 -2.5656 -2.4346 -2.4346 4.3040 4.3040 4.3445 4.3557 4.5538 4.5538 5.0925 5.0929 5.0929 5.0999 5.2319 5.2319 7.5495 7.5495 7.5688 7.5720 7.8507 7.8507 12.5396 12.5396 12.6958 12.7221 12.7841 12.7841 17.0960 17.0961 k = 0.2794 0.2785 0.2776 ( 2455 PWs) bands (ev): -46.2370 -46.2370 -23.9195 -23.9195 -21.8901 -21.8901 -21.8502 -21.8502 -18.9921 -18.9921 -8.1004 -8.1004 -7.8392 -7.8392 -7.7740 -7.7737 -2.7764 -2.7764 -2.5592 -2.5591 -2.4266 -2.4266 4.3658 4.3658 4.4093 4.4208 4.5885 4.5885 5.1373 5.1376 5.1376 5.1447 5.2886 5.2886 7.5189 7.5189 7.5385 7.5417 7.8275 7.8275 12.4829 12.4829 12.6307 12.6577 12.7193 12.7193 17.0237 17.0237 k = 0.2721 0.2712 0.2703 ( 2455 PWs) bands (ev): -46.2371 -46.2371 -23.9175 -23.9175 -21.8871 -21.8870 -21.8472 -21.8472 -18.9931 -18.9931 -8.1303 -8.1303 -7.8594 -7.8594 -7.7957 -7.7954 -2.7704 -2.7704 -2.5530 -2.5529 -2.4196 -2.4196 4.4282 4.4282 4.4750 4.4867 4.6254 4.6254 5.1837 5.1838 5.1838 5.1912 5.3464 5.3464 7.4890 7.4890 7.5089 7.5122 7.8042 7.8042 12.4256 12.4256 12.5649 12.5927 12.6539 12.6539 16.9464 16.9465 k = 0.2647 0.2639 0.2630 ( 2455 PWs) bands (ev): -46.2373 -46.2373 -23.9154 -23.9154 -21.8840 -21.8840 -21.8441 -21.8441 -18.9941 -18.9941 -8.1600 -8.1600 -7.8795 -7.8795 -7.8173 -7.8171 -2.7647 -2.7647 -2.5470 -2.5469 -2.4134 -2.4134 4.4911 4.4911 4.5414 4.5533 4.6646 4.6646 5.2315 5.2315 5.2318 5.2392 5.4053 5.4053 7.4600 7.4600 7.4801 7.4835 7.7808 7.7808 12.3677 12.3677 12.4986 12.5269 12.5879 12.5879 16.8647 16.8647 k = 0.2574 0.2565 0.2557 ( 2455 PWs) bands (ev): -46.2374 -46.2374 -23.9133 -23.9133 -21.8809 -21.8809 -21.8411 -21.8411 -18.9951 -18.9951 -8.1895 -8.1895 -7.8995 -7.8995 -7.8389 -7.8386 -2.7594 -2.7594 -2.5412 -2.5411 -2.4081 -2.4081 4.5542 4.5542 4.6085 4.6204 4.7062 4.7062 5.2807 5.2807 5.2815 5.2887 5.4650 5.4650 7.4318 7.4318 7.4522 7.4556 7.7575 7.7575 12.3093 12.3093 12.4316 12.4606 12.5214 12.5214 16.7793 16.7794 k = 0.2500 0.2492 0.2484 ( 2455 PWs) bands (ev): -46.2376 -46.2376 -23.9112 -23.9112 -21.8778 -21.8778 -21.8380 -21.8380 -18.9961 -18.9961 -8.2187 -8.2187 -7.9193 -7.9193 -7.8604 -7.8601 -2.7544 -2.7544 -2.5356 -2.5355 -2.4037 -2.4037 4.6173 4.6173 4.6761 4.6881 4.7504 4.7504 5.3313 5.3313 5.3326 5.3397 5.5254 5.5254 7.4047 7.4047 7.4253 7.4287 7.7343 7.7343 12.2506 12.2506 12.3643 12.3939 12.4545 12.4545 16.6908 16.6909 k = 0.2426 0.2419 0.2411 ( 2455 PWs) bands (ev): -46.2378 -46.2378 -23.9092 -23.9092 -21.8747 -21.8747 -21.8350 -21.8350 -18.9971 -18.9971 -8.2475 -8.2475 -7.9388 -7.9388 -7.8817 -7.8815 -2.7498 -2.7498 -2.5304 -2.5303 -2.4001 -2.4001 4.6801 4.6801 4.7442 4.7561 4.7972 4.7972 5.3831 5.3831 5.3852 5.3920 5.5863 5.5863 7.3787 7.3787 7.3994 7.4029 7.7111 7.7111 12.1916 12.1916 12.2966 12.3268 12.3874 12.3874 16.5996 16.5996 k = 0.2353 0.2345 0.2338 ( 2461 PWs) bands (ev): -46.2380 -46.2380 -23.9071 -23.9071 -21.8716 -21.8716 -21.8319 -21.8319 -18.9982 -18.9982 -8.2759 -8.2759 -7.9582 -7.9582 -7.9029 -7.9026 -2.7455 -2.7455 -2.5254 -2.5253 -2.3975 -2.3975 4.7422 4.7422 4.8125 4.8243 4.8469 4.8469 5.4362 5.4362 5.4391 5.4455 5.6475 5.6475 7.3538 7.3538 7.3747 7.3782 7.6882 7.6882 12.1325 12.1325 12.2287 12.2594 12.3202 12.3202 16.5061 16.5062 k = 0.2279 0.2272 0.2265 ( 2467 PWs) bands (ev): -46.2382 -46.2382 -23.9050 -23.9050 -21.8685 -21.8685 -21.8288 -21.8288 -18.9993 -18.9993 -8.3038 -8.3038 -7.9772 -7.9772 -7.9237 -7.9235 -2.7417 -2.7417 -2.5207 -2.5206 -2.3957 -2.3957 4.8035 4.8035 4.8811 4.8926 4.8994 4.8994 5.4904 5.4904 5.4942 5.5002 5.7089 5.7089 7.3303 7.3303 7.3512 7.3548 7.6654 7.6654 12.0733 12.0733 12.1607 12.1919 12.2530 12.2530 16.4109 16.4110 k = 0.2206 0.2199 0.2192 ( 2455 PWs) bands (ev): -46.2382 -46.2382 -23.9029 -23.9029 -21.8654 -21.8654 -21.8257 -21.8257 -19.0003 -19.0003 -8.3311 -8.3311 -7.9960 -7.9960 -7.9443 -7.9441 -2.7381 -2.7381 -2.5163 -2.5162 -2.3947 -2.3947 4.8637 4.8637 4.9497 4.9547 4.9547 4.9609 5.5456 5.5456 5.5504 5.5558 5.7703 5.7703 7.3080 7.3080 7.3291 7.3326 7.6429 7.6429 12.0144 12.0144 12.0927 12.1244 12.1859 12.1859 16.3144 16.3144 k = 0.2132 0.2126 0.2119 ( 2455 PWs) bands (ev): -46.2384 -46.2384 -23.9009 -23.9009 -21.8623 -21.8623 -21.8227 -21.8227 -19.0014 -19.0014 -8.3579 -8.3579 -8.0144 -8.0144 -7.9646 -7.9644 -2.7350 -2.7350 -2.5122 -2.5121 -2.3945 -2.3945 4.9229 4.9229 5.0125 5.0125 5.0183 5.0291 5.6017 5.6017 5.6075 5.6123 5.8316 5.8316 7.2873 7.2873 7.3083 7.3119 7.6207 7.6207 11.9556 11.9556 12.0247 12.0568 12.1190 12.1190 16.2167 16.2167 k = 0.2059 0.2052 0.2046 ( 2455 PWs) bands (ev): -46.2385 -46.2385 -23.8988 -23.8988 -21.8593 -21.8593 -21.8196 -21.8196 -19.0025 -19.0025 -8.3840 -8.3840 -8.0324 -8.0324 -7.9845 -7.9843 -2.7322 -2.7322 -2.5083 -2.5082 -2.3950 -2.3950 4.9812 4.9812 5.0723 5.0723 5.0868 5.0970 5.6584 5.6584 5.6654 5.6693 5.8926 5.8926 7.2680 7.2680 7.2891 7.2927 7.5988 7.5988 11.8972 11.8972 11.9569 11.9895 12.0526 12.0526 16.1183 16.1184 k = 0.1985 0.1979 0.1973 ( 2467 PWs) bands (ev): -46.2389 -46.2389 -23.8968 -23.8968 -21.8563 -21.8563 -21.8166 -21.8166 -19.0037 -19.0037 -8.4094 -8.4094 -8.0501 -8.0501 -8.0041 -8.0038 -2.7299 -2.7299 -2.5048 -2.5047 -2.3962 -2.3962 5.0389 5.0389 5.1337 5.1337 5.1549 5.1646 5.7157 5.7157 5.7238 5.7269 5.9533 5.9533 7.2504 7.2504 7.2714 7.2750 7.5773 7.5773 11.8392 11.8392 11.8894 11.9223 11.9866 11.9866 16.0195 16.0195 k = 0.1912 0.1906 0.1900 ( 2467 PWs) bands (ev): -46.2390 -46.2390 -23.8948 -23.8948 -21.8534 -21.8533 -21.8137 -21.8137 -19.0048 -19.0048 -8.4341 -8.4341 -8.0674 -8.0674 -8.0232 -8.0229 -2.7279 -2.7279 -2.5016 -2.5015 -2.3981 -2.3981 5.0962 5.0962 5.1959 5.1959 5.2227 5.2317 5.7734 5.7734 5.7826 5.7847 6.0134 6.0134 7.2344 7.2344 7.2554 7.2590 7.5563 7.5563 11.7817 11.7817 11.8223 11.8555 11.9215 11.9215 15.9206 15.9207 k = 0.1838 0.1832 0.1827 ( 2461 PWs) bands (ev): -46.2391 -46.2391 -23.8929 -23.8929 -21.8504 -21.8504 -21.8107 -21.8107 -19.0060 -19.0060 -8.4580 -8.4580 -8.0842 -8.0842 -8.0418 -8.0416 -2.7262 -2.7262 -2.4986 -2.4985 -2.4004 -2.4004 5.1532 5.1532 5.2586 5.2587 5.2900 5.2981 5.8312 5.8312 5.8415 5.8425 6.0729 6.0729 7.2202 7.2202 7.2412 7.2447 7.5357 7.5357 11.7248 11.7248 11.7557 11.7892 11.8573 11.8573 15.8219 15.8219 k = 0.1765 0.1759 0.1753 ( 2461 PWs) bands (ev): -46.2392 -46.2392 -23.8910 -23.8910 -21.8476 -21.8476 -21.8078 -21.8078 -19.0071 -19.0071 -8.4812 -8.4812 -8.1005 -8.1005 -8.0600 -8.0597 -2.7249 -2.7249 -2.4959 -2.4958 -2.4033 -2.4033 5.2099 5.2099 5.3214 5.3214 5.3565 5.3638 5.8890 5.8890 5.9001 5.9003 6.1316 6.1316 7.2079 7.2079 7.2288 7.2322 7.5156 7.5156 11.6684 11.6684 11.6898 11.7235 11.7942 11.7942 15.7236 15.7236 k = 0.1691 0.1686 0.1680 ( 2467 PWs) bands (ev): -46.2394 -46.2394 -23.8891 -23.8891 -21.8448 -21.8448 -21.8050 -21.8050 -19.0083 -19.0083 -8.5035 -8.5035 -8.1164 -8.1164 -8.0776 -8.0774 -2.7239 -2.7239 -2.4935 -2.4934 -2.4066 -2.4066 5.2662 5.2662 5.3838 5.3838 5.4223 5.4285 5.9466 5.9466 5.9573 5.9588 6.1894 6.1894 7.1975 7.1975 7.2184 7.2217 7.4960 7.4960 11.6126 11.6126 11.6247 11.6585 11.7326 11.7326 15.6260 15.6260 k = 0.1618 0.1612 0.1607 ( 2467 PWs) bands (ev): -46.2396 -46.2396 -23.8873 -23.8873 -21.8421 -21.8421 -21.8022 -21.8022 -19.0094 -19.0094 -8.5249 -8.5249 -8.1317 -8.1317 -8.0947 -8.0945 -2.7233 -2.7233 -2.4913 -2.4912 -2.4103 -2.4103 5.3221 5.3221 5.4457 5.4457 5.4870 5.4922 6.0039 6.0039 6.0138 6.0167 6.2462 6.2462 7.1891 7.1891 7.2099 7.2132 7.4771 7.4771 11.5575 11.5575 11.5604 11.5943 11.6727 11.6727 15.5294 15.5320 k = 0.1544 0.1539 0.1534 ( 2470 PWs) bands (ev): -46.2397 -46.2397 -23.8855 -23.8855 -21.8394 -21.8394 -21.7995 -21.7995 -19.0106 -19.0106 -8.5456 -8.5456 -8.1465 -8.1465 -8.1112 -8.1110 -2.7230 -2.7230 -2.4894 -2.4893 -2.4143 -2.4143 5.3772 5.3772 5.5066 5.5066 5.5504 5.5546 6.0605 6.0605 6.0695 6.0737 6.3019 6.3019 7.1827 7.1827 7.2036 7.2067 7.4587 7.4587 11.4972 11.5028 11.5028 11.5311 11.6149 11.6149 15.4341 15.4346 k = 0.1471 0.1466 0.1461 ( 2469 PWs) bands (ev): -46.2399 -46.2399 -23.8837 -23.8837 -21.8369 -21.8369 -21.7968 -21.7968 -19.0117 -19.0117 -8.5653 -8.5653 -8.1608 -8.1608 -8.1271 -8.1269 -2.7229 -2.7229 -2.4876 -2.4876 -2.4186 -2.4186 5.4315 5.4315 5.5663 5.5663 5.6125 5.6154 6.1163 6.1163 6.1240 6.1298 6.3563 6.3563 7.1784 7.1784 7.1993 7.2023 7.4410 7.4410 11.4352 11.4486 11.4486 11.4690 11.5595 11.5595 15.3404 15.3418 k = 0.1397 0.1393 0.1388 ( 2469 PWs) bands (ev): -46.2400 -46.2400 -23.8821 -23.8821 -21.8344 -21.8344 -21.7943 -21.7943 -19.0128 -19.0128 -8.5841 -8.5841 -8.1745 -8.1745 -8.1424 -8.1422 -2.7231 -2.7231 -2.4862 -2.4861 -2.4230 -2.4230 5.4846 5.4846 5.6246 5.6246 5.6728 5.6745 6.1713 6.1713 6.1773 6.1845 6.4094 6.4094 7.1761 7.1761 7.1972 7.2000 7.4239 7.4239 11.3746 11.3950 11.3950 11.4081 11.5066 11.5066 15.2485 15.2485 k = 0.1324 0.1319 0.1315 ( 2469 PWs) bands (ev): -46.2401 -46.2401 -23.8804 -23.8804 -21.8320 -21.8320 -21.7918 -21.7918 -19.0139 -19.0139 -8.6020 -8.6020 -8.1876 -8.1876 -8.1571 -8.1569 -2.7236 -2.7236 -2.4849 -2.4848 -2.4275 -2.4275 5.5362 5.5362 5.6812 5.6812 5.7311 5.7316 6.2251 6.2251 6.2293 6.2379 6.4611 6.4611 7.1759 7.1759 7.1972 7.1998 7.4075 7.4075 11.3154 11.3418 11.3418 11.3487 11.4567 11.4567 15.1587 15.1588 k = 0.1250 0.1246 0.1242 ( 2451 PWs) bands (ev): -46.2399 -46.2399 -23.8789 -23.8789 -21.8297 -21.8297 -21.7894 -21.7894 -19.0150 -19.0150 -8.6189 -8.6189 -8.2001 -8.2001 -8.1710 -8.1709 -2.7243 -2.7243 -2.4837 -2.4837 -2.4321 -2.4321 5.5862 5.5862 5.7358 5.7358 5.7865 5.7871 6.2777 6.2777 6.2797 6.2898 6.5111 6.5111 7.1777 7.1777 7.1993 7.2017 7.3919 7.3919 11.2581 11.2895 11.2895 11.2909 11.4096 11.4096 15.0714 15.0715 k = 0.1176 0.1173 0.1169 ( 2451 PWs) bands (ev): -46.2400 -46.2400 -23.8774 -23.8774 -21.8275 -21.8275 -21.7871 -21.7871 -19.0161 -19.0161 -8.6350 -8.6350 -8.2119 -8.2119 -8.1843 -8.1841 -2.7251 -2.7251 -2.4828 -2.4827 -2.4367 -2.4367 5.6342 5.6342 5.7882 5.7882 5.8387 5.8405 6.3286 6.3290 6.3290 6.3400 6.5595 6.5595 7.1813 7.1813 7.2033 7.2055 7.3770 7.3770 11.2025 11.2348 11.2380 11.2380 11.3656 11.3656 14.9868 14.9869 k = 0.1103 0.1099 0.1096 ( 2451 PWs) bands (ev): -46.2402 -46.2402 -23.8760 -23.8760 -21.8254 -21.8254 -21.7849 -21.7849 -19.0171 -19.0171 -8.6500 -8.6500 -8.2231 -8.2231 -8.1969 -8.1967 -2.7262 -2.7262 -2.4820 -2.4820 -2.4412 -2.4412 5.6800 5.6800 5.8381 5.8381 5.8882 5.8910 6.3759 6.3788 6.3788 6.3885 6.6061 6.6061 7.1866 7.1866 7.2091 7.2111 7.3629 7.3629 11.1491 11.1807 11.1877 11.1877 11.3245 11.3245 14.9051 14.9060 k = 0.1029 0.1026 0.1023 ( 2454 PWs) bands (ev): -46.2403 -46.2403 -23.8746 -23.8746 -21.8234 -21.8234 -21.7828 -21.7828 -19.0181 -19.0181 -8.6641 -8.6641 -8.2337 -8.2337 -8.2087 -8.2086 -2.7274 -2.7274 -2.4814 -2.4813 -2.4457 -2.4457 5.7234 5.7234 5.8853 5.8853 5.9345 5.9383 6.4217 6.4272 6.4272 6.4353 6.6507 6.6507 7.1933 7.1933 7.2165 7.2183 7.3496 7.3496 11.0979 11.1286 11.1389 11.1389 11.2864 11.2864 14.8267 14.8268 k = 0.0956 0.0953 0.0950 ( 2454 PWs) bands (ev): -46.2404 -46.2404 -23.8734 -23.8734 -21.8216 -21.8216 -21.7808 -21.7808 -19.0190 -19.0190 -8.6773 -8.6773 -8.2436 -8.2436 -8.2198 -8.2197 -2.7287 -2.7287 -2.4809 -2.4808 -2.4500 -2.4500 5.7641 5.7641 5.9297 5.9297 5.9775 5.9820 6.4660 6.4740 6.4740 6.4804 6.6933 6.6933 7.2013 7.2013 7.2252 7.2268 7.3372 7.3372 11.0492 11.0789 11.0919 11.0919 11.2511 11.2511 14.7520 14.7520 k = 0.0882 0.0880 0.0877 ( 2454 PWs) bands (ev): -46.2405 -46.2405 -23.8722 -23.8722 -21.8198 -21.8198 -21.7790 -21.7790 -19.0199 -19.0199 -8.6894 -8.6894 -8.2528 -8.2528 -8.2301 -8.2300 -2.7300 -2.7300 -2.4805 -2.4804 -2.4542 -2.4542 5.8019 5.8019 5.9710 5.9710 6.0169 6.0220 6.5089 6.5190 6.5190 6.5237 6.7338 6.7338 7.2101 7.2101 7.2348 7.2362 7.3255 7.3255 11.0032 11.0317 11.0471 11.0471 11.2187 11.2187 14.6812 14.6812 k = 0.0809 0.0806 0.0804 ( 2469 PWs) bands (ev): -46.2408 -46.2408 -23.8711 -23.8711 -21.8182 -21.8182 -21.7773 -21.7773 -19.0208 -19.0208 -8.7006 -8.7006 -8.2613 -8.2613 -8.2397 -8.2396 -2.7315 -2.7315 -2.4802 -2.4802 -2.4581 -2.4581 5.8367 5.8367 6.0091 6.0091 6.0527 6.0582 6.5502 6.5623 6.5623 6.5651 6.7718 6.7718 7.2194 7.2194 7.2449 7.2462 7.3148 7.3148 10.9601 10.9872 11.0047 11.0047 11.1889 11.1889 14.6145 14.6145 k = 0.0735 0.0733 0.0731 ( 2463 PWs) bands (ev): -46.2408 -46.2408 -23.8701 -23.8701 -21.8167 -21.8167 -21.7757 -21.7757 -19.0216 -19.0216 -8.7108 -8.7108 -8.2691 -8.2691 -8.2485 -8.2484 -2.7329 -2.7329 -2.4800 -2.4799 -2.4618 -2.4618 5.8683 5.8683 6.0440 6.0440 6.0847 6.0904 6.5899 6.6036 6.6036 6.6047 6.8074 6.8074 7.2289 7.2289 7.2553 7.2565 7.3049 7.3049 10.9201 10.9456 10.9650 10.9650 11.1620 11.1620 14.5525 14.5549 k = 0.0662 0.0660 0.0658 ( 2469 PWs) bands (ev): -46.2409 -46.2409 -23.8692 -23.8692 -21.8154 -21.8154 -21.7742 -21.7742 -19.0223 -19.0223 -8.7201 -8.7201 -8.2762 -8.2762 -8.2565 -8.2564 -2.7343 -2.7343 -2.4798 -2.4798 -2.4652 -2.4652 5.8968 5.8968 6.0756 6.0756 6.1131 6.1187 6.6279 6.6422 6.6426 6.6426 6.8403 6.8403 7.2382 7.2382 7.2655 7.2666 7.2959 7.2959 10.8833 10.9071 10.9282 10.9282 11.1377 11.1377 14.4952 14.4952 k = 0.0588 0.0586 0.0584 ( 2481 PWs) bands (ev): -46.2412 -46.2412 -23.8684 -23.8684 -21.8142 -21.8142 -21.7730 -21.7730 -19.0230 -19.0230 -8.7284 -8.7284 -8.2826 -8.2826 -8.2636 -8.2635 -2.7356 -2.7356 -2.4798 -2.4797 -2.4684 -2.4684 5.9220 5.9220 6.1038 6.1038 6.1378 6.1432 6.6638 6.6773 6.6792 6.6792 6.8704 6.8704 7.2470 7.2470 7.2752 7.2761 7.2878 7.2878 10.8501 10.8718 10.8946 10.8946 11.1161 11.1161 14.4430 14.4430 k = 0.0515 0.0513 0.0511 ( 2493 PWs) bands (ev): -46.2414 -46.2414 -23.8676 -23.8676 -21.8131 -21.8131 -21.7718 -21.7718 -19.0236 -19.0236 -8.7357 -8.7357 -8.2882 -8.2882 -8.2700 -8.2699 -2.7369 -2.7369 -2.4797 -2.4797 -2.4712 -2.4712 5.9441 5.9441 6.1287 6.1287 6.1591 6.1641 6.6973 6.7097 6.7129 6.7129 6.8975 6.8975 7.2551 7.2551 7.2807 7.2807 7.2842 7.2849 10.8205 10.8401 10.8644 10.8644 11.0970 11.0970 14.3962 14.3962 k = 0.0441 0.0440 0.0438 ( 2487 PWs) bands (ev): -46.2414 -46.2414 -23.8670 -23.8670 -21.8121 -21.8121 -21.7708 -21.7708 -19.0241 -19.0241 -8.7420 -8.7420 -8.2931 -8.2931 -8.2755 -8.2754 -2.7380 -2.7380 -2.4796 -2.4796 -2.4736 -2.4736 5.9629 5.9629 6.1502 6.1502 6.1770 6.1815 6.7279 6.7390 6.7435 6.7435 6.9214 6.9214 7.2621 7.2621 7.2746 7.2746 7.2920 7.2927 10.7948 10.8120 10.8379 10.8379 11.0806 11.0806 14.3551 14.3551 k = 0.0368 0.0366 0.0365 ( 2487 PWs) bands (ev): -46.2414 -46.2414 -23.8664 -23.8664 -21.8113 -21.8113 -21.7699 -21.7699 -19.0246 -19.0246 -8.7473 -8.7473 -8.2973 -8.2973 -8.2802 -8.2801 -2.7390 -2.7390 -2.4796 -2.4796 -2.4757 -2.4757 5.9787 5.9787 6.1685 6.1685 6.1919 6.1957 6.7552 6.7647 6.7704 6.7704 6.9420 6.9420 7.2669 7.2669 7.2705 7.2705 7.2988 7.2993 10.7730 10.7877 10.8151 10.8151 11.0668 11.0668 14.3199 14.3199 k = 0.0294 0.0293 0.0292 ( 2487 PWs) bands (ev): -46.2414 -46.2414 -23.8660 -23.8660 -21.8107 -21.8107 -21.7692 -21.7692 -19.0250 -19.0250 -8.7517 -8.7517 -8.3007 -8.3007 -8.2840 -8.2840 -2.7399 -2.7399 -2.4796 -2.4796 -2.4774 -2.4774 5.9914 5.9914 6.1833 6.1833 6.2038 6.2070 6.7786 6.7864 6.7932 6.7932 6.9590 6.9590 7.2644 7.2644 7.2736 7.2736 7.3042 7.3046 10.7554 10.7673 10.7962 10.7962 11.0555 11.0555 14.2908 14.2908 k = 0.0221 0.0220 0.0219 ( 2487 PWs) bands (ev): -46.2415 -46.2415 -23.8656 -23.8656 -21.8102 -21.8102 -21.7687 -21.7687 -19.0253 -19.0253 -8.7551 -8.7551 -8.3033 -8.3033 -8.2870 -8.2869 -2.7406 -2.7406 -2.4796 -2.4796 -2.4788 -2.4788 6.0013 6.0013 6.1949 6.1949 6.2130 6.2154 6.7977 6.8037 6.8115 6.8115 6.9725 6.9725 7.2612 7.2612 7.2771 7.2771 7.3084 7.3087 10.7419 10.7509 10.7814 10.7814 11.0467 11.0467 14.2679 14.2680 k = 0.0147 0.0147 0.0146 ( 2487 PWs) bands (ev): -46.2415 -46.2415 -23.8654 -23.8654 -21.8098 -21.8098 -21.7683 -21.7683 -19.0255 -19.0255 -8.7575 -8.7575 -8.3052 -8.3052 -8.2891 -8.2891 -2.7411 -2.7411 -2.4798 -2.4798 -2.4796 -2.4796 6.0082 6.0082 6.2032 6.2032 6.2196 6.2212 6.8120 6.8161 6.8249 6.8249 6.9821 6.9821 7.2588 7.2588 7.2796 7.2796 7.3114 7.3116 10.7327 10.7388 10.7708 10.7708 11.0404 11.0404 14.2515 14.2515 k = 0.0074 0.0073 0.0073 ( 2487 PWs) bands (ev): -46.2415 -46.2415 -23.8652 -23.8652 -21.8096 -21.8096 -21.7680 -21.7680 -19.0256 -19.0256 -8.7590 -8.7590 -8.3064 -8.3064 -8.2904 -8.2904 -2.7414 -2.7414 -2.4804 -2.4804 -2.4796 -2.4796 6.0123 6.0123 6.2081 6.2081 6.2236 6.2244 6.8212 6.8232 6.8331 6.8331 6.9880 6.9880 7.2574 7.2574 7.2811 7.2811 7.3131 7.3132 10.7277 10.7308 10.7644 10.7644 11.0367 11.0367 14.2416 14.2417 k = 0.0000 0.0000 0.0000 ( 2493 PWs) bands (ev): -46.2416 -46.2416 -23.8652 -23.8652 -21.8095 -21.8095 -21.7680 -21.7680 -19.0256 -19.0256 -8.7595 -8.7595 -8.3068 -8.3068 -8.2908 -8.2908 -2.7415 -2.7415 -2.4806 -2.4806 -2.4796 -2.4796 6.0137 6.0137 6.2098 6.2098 6.2252 6.2252 6.8249 6.8249 6.8359 6.8359 6.9899 6.9899 7.2569 7.2569 7.2816 7.2816 7.3137 7.3137 10.7271 10.7271 10.7622 10.7622 11.0354 11.0354 14.2383 14.2482 k = 0.0000 0.0000 0.0000 ( 2493 PWs) bands (ev): -46.2416 -46.2416 -23.8652 -23.8652 -21.8095 -21.8095 -21.7680 -21.7680 -19.0256 -19.0256 -8.7595 -8.7595 -8.3068 -8.3068 -8.2908 -8.2908 -2.7415 -2.7415 -2.4806 -2.4806 -2.4796 -2.4796 6.0137 6.0137 6.2098 6.2098 6.2252 6.2252 6.8249 6.8249 6.8359 6.8359 6.9899 6.9899 7.2569 7.2569 7.2816 7.2816 7.3137 7.3137 10.7271 10.7271 10.7622 10.7622 11.0354 11.0354 14.2383 14.2384 k = 0.0089-0.0000-0.0089 ( 2491 PWs) bands (ev): -46.2415 -46.2415 -23.8654 -23.8651 -21.8096 -21.8096 -21.7682 -21.7678 -19.0256 -19.0256 -8.7595 -8.7585 -8.3073 -8.3055 -8.2904 -8.2904 -2.7417 -2.7411 -2.4809 -2.4803 -2.4795 -2.4793 6.0098 6.0135 6.2026 6.2107 6.2235 6.2239 6.8231 6.8232 6.8314 6.8370 6.9814 6.9913 7.2514 7.2528 7.2807 7.2908 7.3173 7.3175 10.7282 10.7286 10.7606 10.7675 11.0341 11.0376 14.2412 14.2418 k = 0.0178-0.0001-0.0179 ( 2495 PWs) bands (ev): -46.2416 -46.2416 -23.8657 -23.8651 -21.8098 -21.8098 -21.7687 -21.7678 -19.0255 -19.0254 -8.7585 -8.7566 -8.3071 -8.3036 -8.2893 -8.2890 -2.7416 -2.7405 -2.4811 -2.4803 -2.4790 -2.4785 6.0013 6.0091 6.1887 6.2063 6.2179 6.2204 6.8170 6.8182 6.8246 6.8348 6.9674 6.9855 7.2402 7.2426 7.2863 7.3032 7.3263 7.3279 10.7301 10.7335 10.7641 10.7759 11.0336 11.0407 14.2479 14.2491 k = 0.0267-0.0001-0.0268 ( 2497 PWs) bands (ev): -46.2416 -46.2416 -23.8661 -23.8652 -21.8102 -21.8102 -21.7692 -21.7680 -19.0253 -19.0252 -8.7566 -8.7537 -8.3061 -8.3011 -8.2874 -8.2864 -2.7414 -2.7398 -2.4811 -2.4803 -2.4783 -2.4772 5.9879 6.0008 6.1676 6.1975 6.2079 6.2146 6.8059 6.8100 6.8162 6.8290 6.9504 6.9742 7.2268 7.2307 7.2955 7.3145 7.3379 7.3437 10.7313 10.7416 10.7742 10.7879 11.0342 11.0449 14.2562 14.2593 k = 0.0356-0.0001-0.0357 ( 2497 PWs) bands (ev): -46.2416 -46.2416 -23.8665 -23.8655 -21.8108 -21.8107 -21.7699 -21.7683 -19.0251 -19.0249 -8.7537 -8.7500 -8.3044 -8.2982 -8.2849 -8.2826 -2.7410 -2.7388 -2.4811 -2.4802 -2.4772 -2.4755 5.9688 5.9882 6.1395 6.1848 6.1942 6.2067 6.7908 6.7987 6.8060 6.8199 6.9322 6.9595 7.2130 7.2182 7.3057 7.3232 7.3507 7.3623 10.7319 10.7519 10.7901 10.8048 11.0361 11.0507 14.2674 14.2719 k = 0.0445-0.0001-0.0446 ( 2491 PWs) bands (ev): -46.2415 -46.2414 -23.8671 -23.8658 -21.8115 -21.8114 -21.7707 -21.7687 -19.0247 -19.0245 -8.7500 -8.7453 -8.3022 -8.2948 -8.2815 -8.2773 -2.7404 -2.7376 -2.4810 -2.4801 -2.4758 -2.4734 5.9435 5.9710 6.1043 6.1669 6.1787 6.1965 6.7728 6.7847 6.7936 6.8075 6.9142 6.9432 7.1995 7.2060 7.3149 7.3297 7.3641 7.3813 10.7329 10.7636 10.8110 10.8277 11.0398 11.0584 14.2814 14.2872 k = 0.0534-0.0002-0.0536 ( 2487 PWs) bands (ev): -46.2413 -46.2413 -23.8677 -23.8662 -21.8124 -21.8122 -21.7717 -21.7693 -19.0242 -19.0240 -8.7453 -8.7398 -8.2995 -8.2909 -8.2773 -8.2707 -2.7396 -2.7363 -2.4810 -2.4799 -2.4740 -2.4710 5.9115 5.9488 6.0629 6.1427 6.1631 6.1845 6.7530 6.7685 6.7788 6.7921 6.8968 6.9261 7.1869 7.1944 7.3217 7.3340 7.3772 7.3989 10.7350 10.7759 10.8366 10.8565 11.0457 11.0684 14.2980 14.3050 k = 0.0623-0.0002-0.0625 ( 2483 PWs) bands (ev): -46.2412 -46.2412 -23.8685 -23.8666 -21.8135 -21.8132 -21.7727 -21.7700 -19.0237 -19.0234 -8.7399 -8.7335 -8.2964 -8.2862 -8.2721 -8.2629 -2.7386 -2.7348 -2.4809 -2.4797 -2.4720 -2.4683 5.8723 5.9204 6.0166 6.1131 6.1474 6.1707 6.7322 6.7503 6.7619 6.7739 6.8800 6.9088 7.1755 7.1837 7.3258 7.3361 7.3891 7.4141 10.7387 10.7888 10.8670 10.8908 11.0541 11.0813 14.3171 14.3252 k = 0.0712-0.0002-0.0714 ( 2479 PWs) bands (ev): -46.2411 -46.2411 -23.8693 -23.8672 -21.8147 -21.8143 -21.7739 -21.7708 -19.0231 -19.0228 -8.7336 -8.7265 -8.2928 -8.2809 -8.2659 -8.2539 -2.7375 -2.7333 -2.4807 -2.4795 -2.4696 -2.4653 5.8262 5.8839 5.9678 6.0785 6.1314 6.1556 6.7110 6.7302 6.7430 6.7534 6.8636 6.8914 7.1654 7.1741 7.3272 7.3360 7.3991 7.4262 10.7444 10.8026 10.9020 10.9298 11.0657 11.0976 14.3384 14.3475 k = 0.0801-0.0003-0.0804 ( 2477 PWs) bands (ev): -46.2411 -46.2411 -23.8703 -23.8679 -21.8161 -21.8156 -21.7751 -21.7718 -19.0225 -19.0221 -8.7267 -8.7188 -8.2888 -8.2749 -8.2584 -8.2438 -2.7363 -2.7316 -2.4806 -2.4792 -2.4669 -2.4620 5.7735 5.8371 5.9194 6.0394 6.1150 6.1392 6.6893 6.7076 6.7214 6.7322 6.8475 6.8739 7.1566 7.1655 7.3262 7.3340 7.4066 7.4351 10.7526 10.8177 10.9412 10.9732 11.0806 11.1176 14.3616 14.3716 k = 0.0890-0.0003-0.0893 ( 2469 PWs) bands (ev): -46.2409 -46.2409 -23.8713 -23.8687 -21.8177 -21.8170 -21.7764 -21.7728 -19.0217 -19.0213 -8.7192 -8.7105 -8.2841 -8.2683 -8.2498 -8.2326 -2.7350 -2.7298 -2.4804 -2.4789 -2.4639 -2.4585 5.7147 5.7793 5.8730 5.9961 6.0981 6.1217 6.6661 6.6828 6.6962 6.7123 6.8316 6.8562 7.1489 7.1578 7.3234 7.3303 7.4114 7.4408 10.7634 10.8345 10.9840 11.0202 11.0993 11.1420 14.3865 14.3973 k = 0.0979-0.0003-0.0982 ( 2462 PWs) bands (ev): -46.2407 -46.2407 -23.8723 -23.8695 -21.8195 -21.8186 -21.7778 -21.7740 -19.0209 -19.0205 -8.7111 -8.7017 -8.2788 -8.2610 -8.2400 -8.2205 -2.7337 -2.7280 -2.4802 -2.4785 -2.4608 -2.4547 5.6506 5.7128 5.8271 5.9489 6.0806 6.1033 6.6394 6.6558 6.6693 6.6930 6.8158 6.8385 7.1420 7.1507 7.3191 7.3254 7.4133 7.4432 10.7773 10.8534 11.0296 11.0700 11.1224 11.1713 14.4128 14.4244 k = 0.1068-0.0003-0.1071 ( 2462 PWs) bands (ev): -46.2406 -46.2406 -23.8735 -23.8705 -21.8215 -21.8204 -21.7792 -21.7752 -19.0201 -19.0196 -8.7025 -8.6925 -8.2727 -8.2529 -8.2290 -8.2074 -2.7323 -2.7262 -2.4800 -2.4782 -2.4574 -2.4508 5.5819 5.6400 5.7803 5.8982 6.0624 6.0840 6.6079 6.6248 6.6444 6.6732 6.8003 6.8207 7.1354 7.1437 7.3142 7.3202 7.4124 7.4427 10.7944 10.8747 11.0771 11.1201 11.1519 11.2063 14.4401 14.4525 k = 0.1157-0.0004-0.1161 ( 2464 PWs) bands (ev): -46.2406 -46.2406 -23.8747 -23.8715 -21.8237 -21.8222 -21.7807 -21.7765 -19.0192 -19.0187 -8.6936 -8.6829 -8.2658 -8.2440 -8.2168 -8.1933 -2.7308 -2.7243 -2.4797 -2.4777 -2.4540 -2.4468 5.5095 5.5629 5.7313 5.8444 6.0435 6.0638 6.5721 6.5893 6.6217 6.6521 6.7850 6.8028 7.1287 7.1365 7.3095 7.3156 7.4092 7.4394 10.8149 10.8985 11.1253 11.1639 11.1940 11.2480 14.4685 14.4815 k = 0.1246-0.0004-0.1250 ( 2460 PWs) bands (ev): -46.2404 -46.2404 -23.8761 -23.8726 -21.8260 -21.8243 -21.7822 -21.7778 -19.0183 -19.0178 -8.6844 -8.6731 -8.2579 -8.2342 -8.2036 -8.1784 -2.7293 -2.7224 -2.4794 -2.4773 -2.4504 -2.4427 5.4338 5.4826 5.6799 5.7876 6.0237 6.0427 6.5324 6.5502 6.5991 6.6290 6.7702 6.7851 7.1212 7.1286 7.3059 7.3125 7.4038 7.4338 10.8389 10.9253 11.1729 11.2014 11.2485 11.2970 14.4975 14.5112 k = 0.1335-0.0004-0.1339 ( 2456 PWs) bands (ev): -46.2403 -46.2403 -23.8774 -23.8738 -21.8285 -21.8264 -21.7838 -21.7792 -19.0173 -19.0167 -8.6751 -8.6631 -8.2491 -8.2234 -8.1893 -8.1627 -2.7278 -2.7206 -2.4791 -2.4768 -2.4467 -2.4385 5.3557 5.4001 5.6260 5.7282 6.0029 6.0208 6.4891 6.5081 6.5756 6.6033 6.7559 6.7677 7.1128 7.1195 7.3041 7.3117 7.3968 7.4262 10.8665 10.9550 11.2192 11.2399 11.3084 11.3528 14.5271 14.5414 k = 0.1424-0.0005-0.1429 ( 2456 PWs) bands (ev): -46.2402 -46.2402 -23.8788 -23.8750 -21.8312 -21.8288 -21.7853 -21.7807 -19.0163 -19.0157 -8.6656 -8.6530 -8.2391 -8.2116 -8.1741 -8.1461 -2.7264 -2.7187 -2.4787 -2.4762 -2.4431 -2.4344 5.2757 5.3160 5.5697 5.6665 5.9813 5.9980 6.4424 6.4631 6.5505 6.5748 6.7424 6.7509 7.1031 7.1091 7.3046 7.3139 7.3888 7.4169 10.8976 10.9877 11.2639 11.2817 11.3716 11.4145 14.5569 14.5719 k = 0.1513-0.0005-0.1518 ( 2460 PWs) bands (ev): -46.2402 -46.2402 -23.8803 -23.8764 -21.8340 -21.8312 -21.7869 -21.7822 -19.0152 -19.0147 -8.6562 -8.6429 -8.2280 -8.1987 -8.1578 -8.1288 -2.7249 -2.7170 -2.4783 -2.4756 -2.4396 -2.4303 5.1943 5.2309 5.5112 5.6027 5.9587 5.9742 6.3922 6.4151 6.5233 6.5433 6.7298 6.7351 7.0924 7.0976 7.3070 7.3191 7.3807 7.4064 10.9321 11.0235 11.3082 11.3267 11.4378 11.4805 14.5870 14.6025 k = 0.1602-0.0005-0.1607 ( 2458 PWs) bands (ev): -46.2400 -46.2400 -23.8819 -23.8777 -21.8370 -21.8338 -21.7885 -21.7837 -19.0142 -19.0136 -8.6468 -8.6330 -8.2157 -8.1848 -8.1407 -8.1108 -2.7235 -2.7153 -2.4778 -2.4749 -2.4361 -2.4263 5.1119 5.1451 5.4507 5.5371 5.9351 5.9495 6.3386 6.3638 6.4938 6.5092 6.7182 6.7206 7.0808 7.0854 7.3100 7.3271 7.3740 7.3954 10.9700 11.0622 11.3532 11.3740 11.5066 11.5499 14.6171 14.6331 k = 0.1691-0.0005-0.1696 ( 2454 PWs) bands (ev): -46.2399 -46.2399 -23.8835 -23.8792 -21.8401 -21.8365 -21.7901 -21.7852 -19.0131 -19.0125 -8.6376 -8.6231 -8.2021 -8.1697 -8.1226 -8.0921 -2.7221 -2.7136 -2.4773 -2.4742 -2.4328 -2.4225 5.0290 5.0591 5.3885 5.4699 5.9105 5.9237 6.2816 6.3092 6.4620 6.4730 6.7068 6.7083 7.0687 7.0729 7.3110 7.3370 7.3708 7.3856 11.0110 11.1039 11.3997 11.4231 11.5776 11.6217 14.6470 14.6636 k = 0.1780-0.0006-0.1786 ( 2452 PWs) bands (ev): -46.2397 -46.2397 -23.8851 -23.8806 -21.8433 -21.8394 -21.7917 -21.7867 -19.0120 -19.0114 -8.6285 -8.6136 -8.1873 -8.1536 -8.1037 -8.0729 -2.7208 -2.7120 -2.4768 -2.4734 -2.4297 -2.4189 4.9459 4.9731 5.3247 5.4014 5.8848 5.8967 6.2216 6.2511 6.4278 6.4357 6.6952 6.6988 7.0565 7.0605 7.3072 7.3438 7.3722 7.3834 11.0551 11.1483 11.4478 11.4736 11.6506 11.6955 14.6766 14.6938 k = 0.1869-0.0006-0.1875 ( 2450 PWs) bands (ev): -46.2396 -46.2396 -23.8867 -23.8822 -21.8467 -21.8424 -21.7933 -21.7882 -19.0108 -19.0103 -8.6197 -8.6043 -8.1712 -8.1365 -8.0840 -8.0530 -2.7196 -2.7105 -2.4762 -2.4726 -2.4268 -2.4155 4.8629 4.8876 5.2596 5.3319 5.8576 5.8683 6.1588 6.1899 6.3910 6.3983 6.6850 6.6907 7.0444 7.0485 7.2988 7.3391 7.3823 7.3929 11.1019 11.1954 11.4974 11.5254 11.7252 11.7708 14.7058 14.7236 k = 0.1958-0.0006-0.1964 ( 2458 PWs) bands (ev): -46.2396 -46.2396 -23.8884 -23.8838 -21.8501 -21.8455 -21.7949 -21.7898 -19.0098 -19.0092 -8.6112 -8.5953 -8.1540 -8.1183 -8.0635 -8.0327 -2.7184 -2.7092 -2.4757 -2.4717 -2.4243 -2.4124 4.7803 4.8027 5.1935 5.2614 5.8287 5.8380 6.0939 6.1262 6.3521 6.3611 6.6763 6.6838 7.0327 7.0370 7.2875 7.3270 7.4000 7.4091 11.1514 11.2449 11.5483 11.5784 11.8010 11.8473 14.7343 14.7527 k = 0.2047-0.0007-0.2054 ( 2462 PWs) bands (ev): -46.2395 -46.2395 -23.8901 -23.8854 -21.8536 -21.8486 -21.7964 -21.7913 -19.0087 -19.0081 -8.6028 -8.5866 -8.1355 -8.0992 -8.0423 -8.0119 -2.7173 -2.7079 -2.4750 -2.4708 -2.4220 -2.4096 4.6985 4.7186 5.1265 5.1903 5.7971 5.8051 6.0281 6.0611 6.3124 6.3237 6.6691 6.6782 7.0215 7.0261 7.2746 7.3126 7.4214 7.4293 11.2032 11.2966 11.6004 11.6322 11.8780 11.9247 14.7622 14.7811 k = 0.2136-0.0007-0.2143 ( 2456 PWs) bands (ev): -46.2393 -46.2393 -23.8919 -23.8870 -21.8572 -21.8519 -21.7980 -21.7928 -19.0075 -19.0070 -8.5948 -8.5783 -8.1159 -8.0793 -8.0204 -7.9907 -2.7163 -2.7067 -2.4744 -2.4698 -2.4201 -2.4071 4.6175 4.6357 5.0590 5.1189 5.7614 5.7685 5.9631 5.9963 6.2725 6.2860 6.6633 6.6738 7.0109 7.0158 7.2611 7.2975 7.4453 7.4522 11.2572 11.3505 11.6535 11.6869 11.9558 12.0028 14.7894 14.8088 k = 0.2225-0.0007-0.2232 ( 2456 PWs) bands (ev): -46.2392 -46.2392 -23.8936 -23.8887 -21.8608 -21.8552 -21.7995 -21.7943 -19.0065 -19.0059 -8.5870 -8.5704 -8.0952 -8.0585 -7.9978 -7.9691 -2.7154 -2.7056 -2.4737 -2.4688 -2.4186 -2.4050 4.5377 4.5541 4.9911 5.0472 5.7191 5.7267 5.9014 5.9344 6.2328 6.2482 6.6589 6.6706 7.0010 7.0061 7.2473 7.2820 7.4711 7.4772 11.3131 11.4061 11.7073 11.7421 12.0342 12.0813 14.8156 14.8356 k = 0.2314-0.0007-0.2321 ( 2456 PWs) bands (ev): -46.2390 -46.2390 -23.8954 -23.8904 -21.8645 -21.8586 -21.8010 -21.7957 -19.0054 -19.0049 -8.5795 -8.5627 -8.0736 -8.0371 -7.9747 -7.9472 -2.7146 -2.7046 -2.4730 -2.4677 -2.4175 -2.4033 4.4592 4.4739 4.9231 4.9755 5.6680 5.6770 5.8460 5.8782 6.1935 6.2104 6.6560 6.6687 6.9917 6.9969 7.2335 7.2666 7.4984 7.5039 11.3708 11.4634 11.7615 11.7976 12.1129 12.1600 14.8409 14.8614 k = 0.2403-0.0008-0.2411 ( 2456 PWs) bands (ev): -46.2389 -46.2389 -23.8971 -23.8922 -21.8682 -21.8621 -21.8024 -21.7972 -19.0044 -19.0038 -8.5723 -8.5554 -8.0512 -8.0151 -7.9510 -7.9251 -2.7138 -2.7037 -2.4723 -2.4666 -2.4168 -2.4020 4.3822 4.3955 4.8551 4.9040 5.6072 5.6177 5.7990 5.8293 6.1547 6.1727 6.6546 6.6681 6.9830 6.9882 7.2199 7.2512 7.5271 7.5321 11.4299 11.5221 11.8160 11.8533 12.1917 12.2386 14.8651 14.8861 k = 0.2492-0.0008-0.2500 ( 2456 PWs) bands (ev): -46.2388 -46.2388 -23.8989 -23.8939 -21.8719 -21.8656 -21.8039 -21.7986 -19.0033 -19.0028 -8.5652 -8.5484 -8.0280 -7.9925 -7.9269 -7.9029 -2.7132 -2.7030 -2.4717 -2.4655 -2.4165 -2.4010 4.3069 4.3188 4.7874 4.8328 5.5383 5.5494 5.7595 5.7877 6.1165 6.1353 6.6544 6.6688 6.9749 6.9801 7.2065 7.2362 7.5569 7.5615 11.4903 11.5820 11.8706 11.9090 12.2705 12.3171 14.8882 14.9096 k = 0.2581-0.0008-0.2589 ( 2454 PWs) bands (ev): -46.2386 -46.2386 -23.9006 -23.8956 -21.8756 -21.8691 -21.8053 -21.8000 -19.0023 -19.0019 -8.5584 -8.5417 -8.0043 -7.9696 -7.9023 -7.8804 -2.7127 -2.7023 -2.4710 -2.4643 -2.4166 -2.4005 4.2335 4.2442 4.7201 4.7623 5.4635 5.4743 5.7256 5.7518 6.0788 6.0983 6.6557 6.6707 6.9673 6.9723 7.1935 7.2215 7.5876 7.5918 11.5517 11.6428 11.9250 11.9644 12.3491 12.3952 14.9101 14.9320 k = 0.2670-0.0009-0.2679 ( 2460 PWs) bands (ev): -46.2386 -46.2386 -23.9024 -23.8974 -21.8793 -21.8726 -21.8066 -21.8014 -19.0014 -19.0009 -8.5517 -8.5352 -7.9801 -7.9463 -7.8775 -7.8580 -2.7122 -2.7018 -2.4704 -2.4632 -2.4171 -2.4003 4.1621 4.1716 4.6535 4.6926 5.3848 5.3948 5.6954 5.7199 6.0419 6.0618 6.6583 6.6739 6.9602 6.9651 7.1810 7.2072 7.6192 7.6230 11.6139 11.7044 11.9791 12.0194 12.4271 12.4726 14.9307 14.9530 k = 0.2759-0.0009-0.2768 ( 2456 PWs) bands (ev): -46.2384 -46.2384 -23.9041 -23.8991 -21.8829 -21.8761 -21.8079 -21.8027 -19.0005 -19.0000 -8.5453 -8.5289 -7.9556 -7.9229 -7.8524 -7.8354 -2.7119 -2.7014 -2.4698 -2.4621 -2.4180 -2.4005 4.0928 4.1013 4.5876 4.6238 5.3040 5.3127 5.6677 5.6908 6.0056 6.0259 6.6623 6.6784 6.9536 6.9582 7.1689 7.1933 7.6513 7.6547 11.6766 11.7665 12.0327 12.0739 12.5046 12.5493 14.9501 14.9727 k = 0.2848-0.0009-0.2857 ( 2460 PWs) bands (ev): -46.2383 -46.2383 -23.9058 -23.9008 -21.8865 -21.8797 -21.8092 -21.8040 -18.9996 -18.9992 -8.5390 -8.5229 -7.9309 -7.8993 -7.8272 -7.8130 -2.7117 -2.7012 -2.4694 -2.4611 -2.4191 -2.4009 4.0258 4.0334 4.5227 4.5561 5.2221 5.2293 5.6418 5.6638 5.9701 5.9905 6.6675 6.6841 6.9474 6.9517 7.1574 7.1800 7.6838 7.6870 11.7396 11.8288 12.0856 12.1276 12.5812 12.6251 14.9682 14.9911 k = 0.2937-0.0009-0.2946 ( 2456 PWs) bands (ev): -46.2382 -46.2382 -23.9074 -23.9025 -21.8900 -21.8832 -21.8104 -21.8053 -18.9987 -18.9983 -8.5328 -8.5171 -7.9063 -7.8757 -7.8020 -7.7905 -2.7116 -2.7010 -2.4690 -2.4602 -2.4205 -2.4016 3.9611 3.9680 4.4590 4.4897 5.1397 5.1454 5.6174 5.6385 5.9353 5.9559 6.6739 6.6909 6.9417 6.9455 7.1464 7.1672 7.7166 7.7195 11.8028 11.8912 12.1376 12.1804 12.6568 12.6996 14.9850 15.0081 k = 0.3026-0.0010-0.3036 ( 2458 PWs) bands (ev): -46.2381 -46.2381 -23.9090 -23.9042 -21.8935 -21.8866 -21.8116 -21.8066 -18.9979 -18.9975 -8.5268 -8.5115 -7.8818 -7.8521 -7.7768 -7.7682 -2.7116 -2.7010 -2.4687 -2.4595 -2.4220 -2.4026 3.8990 3.9052 4.3965 4.4248 5.0576 5.0618 5.5942 5.6147 5.9014 5.9220 6.6815 6.6988 6.9363 6.9397 7.1360 7.1549 7.7495 7.7521 11.8658 11.9534 12.1886 12.2322 12.7311 12.7729 15.0004 15.0237 k = 0.3115-0.0010-0.3125 ( 2456 PWs) bands (ev): -46.2379 -46.2379 -23.9106 -23.9059 -21.8969 -21.8900 -21.8128 -21.8078 -18.9971 -18.9968 -8.5209 -8.5060 -7.8575 -7.8287 -7.7520 -7.7459 -2.7117 -2.7012 -2.4686 -2.4590 -2.4236 -2.4037 3.8394 3.8451 4.3355 4.3614 4.9762 4.9789 5.5722 5.5921 5.8683 5.8888 6.6901 6.7078 6.9314 6.9342 7.1260 7.1432 7.7823 7.7848 11.9285 12.0152 12.2384 12.2827 12.8040 12.8446 15.0144 15.0379 k = 0.3204-0.0010-0.3214 ( 2460 PWs) bands (ev): -46.2379 -46.2379 -23.9121 -23.9076 -21.9001 -21.8934 -21.8139 -21.8090 -18.9964 -18.9961 -8.5152 -8.5007 -7.8337 -7.8055 -7.7277 -7.7235 -2.7119 -2.7014 -2.4687 -2.4588 -2.4252 -2.4049 3.7826 3.7877 4.2760 4.2998 4.8956 4.8974 5.5512 5.5707 5.8361 5.8565 6.6998 6.7178 6.9267 6.9291 7.1167 7.1320 7.8150 7.8172 11.9905 12.0763 12.2869 12.3319 12.8753 12.9146 15.0272 15.0507 k = 0.3293-0.0011-0.3304 ( 2460 PWs) bands (ev): -46.2377 -46.2377 -23.9136 -23.9092 -21.9033 -21.8967 -21.8149 -21.8102 -18.9957 -18.9954 -8.5096 -8.4956 -7.8105 -7.7827 -7.7047 -7.7005 -2.7122 -2.7018 -2.4690 -2.4591 -2.4265 -2.4062 3.7285 3.7333 4.2182 4.2401 4.8160 4.8181 5.5314 5.5504 5.8048 5.8251 6.7104 6.7287 6.9225 6.9243 7.1078 7.1214 7.8473 7.8493 12.0518 12.1365 12.3339 12.3797 12.9448 12.9827 15.0387 15.0622 k = 0.3382-0.0011-0.3393 ( 2460 PWs) bands (ev): -46.2376 -46.2376 -23.9151 -23.9107 -21.9064 -21.8999 -21.8159 -21.8113 -18.9950 -18.9948 -8.5041 -8.4907 -7.7878 -7.7604 -7.6829 -7.6771 -2.7126 -2.7023 -2.4695 -2.4598 -2.4276 -2.4075 3.6773 3.6817 4.1623 4.1823 4.7378 4.7411 5.5126 5.5313 5.7745 5.7947 6.7217 6.7403 6.9185 6.9199 7.0995 7.1113 7.8791 7.8809 12.1119 12.1957 12.3793 12.4258 13.0123 13.0487 15.0490 15.0723 k = 0.3471-0.0011-0.3482 ( 2454 PWs) bands (ev): -46.2374 -46.2374 -23.9164 -23.9122 -21.9093 -21.9030 -21.8168 -21.8124 -18.9944 -18.9942 -8.4988 -8.4859 -7.7659 -7.7387 -7.6619 -7.6539 -2.7131 -2.7030 -2.4702 -2.4610 -2.4282 -2.4087 3.6290 3.6332 4.1084 4.1267 4.6618 4.6663 5.4950 5.5134 5.7452 5.7652 6.7337 6.7526 6.9147 6.9159 7.0916 7.1017 7.9103 7.9119 12.1708 12.2534 12.4230 12.4702 13.0777 13.1124 15.0580 15.0812 k = 0.3560-0.0011-0.3571 ( 2456 PWs) bands (ev): -46.2374 -46.2374 -23.9177 -23.9137 -21.9121 -21.9060 -21.8177 -21.8134 -18.9939 -18.9936 -8.4936 -8.4814 -7.7448 -7.7177 -7.6413 -7.6314 -2.7137 -2.7038 -2.4712 -2.4627 -2.4285 -2.4098 3.5837 3.5877 4.0565 4.0734 4.5883 4.5939 5.4785 5.4966 5.7170 5.7367 6.7462 6.7654 6.9109 6.9126 7.0842 7.0926 7.9406 7.9421 12.2281 12.3096 12.4647 12.5127 13.1406 13.1736 15.0659 15.0887 k = 0.3649-0.0012-0.3661 ( 2454 PWs) bands (ev): -46.2372 -46.2372 -23.9190 -23.9151 -21.9148 -21.9088 -21.8185 -21.8144 -18.9933 -18.9931 -8.4886 -8.4770 -7.7245 -7.6977 -7.6213 -7.6096 -2.7144 -2.7046 -2.4723 -2.4648 -2.4284 -2.4108 3.5414 3.5453 4.0067 4.0223 4.5176 4.5243 5.4631 5.4809 5.6898 5.7093 6.7591 6.7786 6.9073 6.9097 7.0772 7.0840 7.9700 7.9713 12.2837 12.3640 12.5045 12.5532 13.2009 13.2322 15.0728 15.0951 k = 0.3738-0.0012-0.3750 ( 2460 PWs) bands (ev): -46.2372 -46.2372 -23.9201 -23.9165 -21.9173 -21.9116 -21.8192 -21.8154 -18.9929 -18.9927 -8.4838 -8.4728 -7.7051 -7.6786 -7.6018 -7.5887 -2.7151 -2.7057 -2.4738 -2.4672 -2.4280 -2.4117 3.5022 3.5060 3.9593 3.9737 4.4499 4.4576 5.4490 5.4665 5.6638 5.6830 6.7722 6.7920 6.9039 6.9074 7.0706 7.0758 7.9984 7.9995 12.3372 12.4162 12.5422 12.5917 13.2585 13.2880 15.0786 15.1004 k = 0.3827-0.0012-0.3839 ( 2454 PWs) bands (ev): -46.2371 -46.2371 -23.9212 -23.9178 -21.9197 -21.9142 -21.8199 -21.8163 -18.9924 -18.9922 -8.4792 -8.4689 -7.6866 -7.6607 -7.5830 -7.5688 -2.7159 -2.7067 -2.4753 -2.4698 -2.4274 -2.4124 3.4661 3.4699 3.9143 3.9276 4.3857 4.3941 5.4360 5.4533 5.6391 5.6579 6.7854 6.8055 6.9008 6.9055 7.0643 7.0680 8.0255 8.0265 12.3886 12.4663 12.5777 12.6279 13.3132 13.3408 15.0836 15.1046 k = 0.3916-0.0013-0.3929 ( 2452 PWs) bands (ev): -46.2369 -46.2369 -23.9222 -23.9190 -21.9218 -21.9167 -21.8206 -21.8171 -18.9920 -18.9918 -8.4748 -8.4652 -7.6692 -7.6440 -7.5649 -7.5500 -2.7167 -2.7079 -2.4771 -2.4725 -2.4266 -2.4130 3.4331 3.4368 3.8719 3.8841 4.3251 4.3340 5.4243 5.4412 5.6156 5.6340 6.7984 6.8190 6.8979 6.9042 7.0584 7.0606 8.0512 8.0521 12.4375 12.5138 12.6109 12.6619 13.3647 13.3904 15.0877 15.1079 k = 0.4005-0.0013-0.4018 ( 2448 PWs) bands (ev): -46.2368 -46.2368 -23.9232 -23.9202 -21.9239 -21.9191 -21.8211 -21.8179 -18.9916 -18.9915 -8.4706 -8.4617 -7.6527 -7.6286 -7.5476 -7.5324 -2.7175 -2.7092 -2.4789 -2.4752 -2.4256 -2.4134 3.4031 3.4069 3.8320 3.8433 4.2683 4.2776 5.4138 5.4304 5.5934 5.6114 6.8110 6.8322 6.8953 6.9034 7.0527 7.0535 8.0755 8.0763 12.4838 12.5586 12.6418 12.6934 13.4129 13.4366 15.0911 15.1104 k = 0.4094-0.0013-0.4107 ( 2454 PWs) bands (ev): -46.2368 -46.2368 -23.9240 -23.9212 -21.9257 -21.9213 -21.8216 -21.8187 -18.9913 -18.9912 -8.4667 -8.4585 -7.6374 -7.6145 -7.5313 -7.5162 -2.7183 -2.7105 -2.4808 -2.4779 -2.4247 -2.4138 3.3763 3.3800 3.7949 3.8053 4.2157 4.2251 5.4046 5.4208 5.5727 5.5901 6.8229 6.8449 6.8931 6.9034 7.0466 7.0475 8.0982 8.0989 12.5272 12.6003 12.6703 12.7224 13.4577 13.4793 15.0939 15.1120 k = 0.4183-0.0013-0.4196 ( 2458 PWs) bands (ev): -46.2368 -46.2368 -23.9248 -23.9223 -21.9274 -21.9233 -21.8221 -21.8194 -18.9910 -18.9909 -8.4630 -8.4556 -7.6232 -7.6018 -7.5159 -7.5013 -2.7191 -2.7118 -2.4826 -2.4804 -2.4236 -2.4140 3.3525 3.3561 3.7606 3.7701 4.1674 4.1767 5.3967 5.4124 5.5534 5.5702 6.8339 6.8568 6.8915 6.9044 7.0403 7.0422 8.1191 8.1197 12.5676 12.6387 12.6963 12.7487 13.4988 13.5184 15.0961 15.1130 k = 0.4272-0.0014-0.4286 ( 2452 PWs) bands (ev): -46.2367 -46.2367 -23.9255 -23.9232 -21.9288 -21.9252 -21.8225 -21.8201 -18.9907 -18.9906 -8.4596 -8.4530 -7.6101 -7.5905 -7.5017 -7.4878 -2.7198 -2.7132 -2.4845 -2.4827 -2.4226 -2.4142 3.3316 3.3352 3.7294 3.7379 4.1236 4.1327 5.3900 5.4051 5.5356 5.5518 6.8436 6.8672 6.8909 6.9066 7.0342 7.0372 8.1382 8.1387 12.6048 12.6734 12.7202 12.7723 13.5362 13.5538 15.0979 15.1134 k = 0.4361-0.0014-0.4375 ( 2452 PWs) bands (ev): -46.2366 -46.2366 -23.9260 -23.9240 -21.9301 -21.9269 -21.8228 -21.8207 -18.9905 -18.9904 -8.4565 -8.4507 -7.5983 -7.5806 -7.4887 -7.4759 -2.7205 -2.7145 -2.4862 -2.4848 -2.4216 -2.4144 3.3136 3.3170 3.7012 3.7088 4.0846 4.0931 5.3846 5.3989 5.5196 5.5348 6.8516 6.8746 6.8927 6.9100 7.0284 7.0324 8.1554 8.1558 12.6386 12.7039 12.7421 12.7930 13.5698 13.5852 15.0994 15.1134 k = 0.4450-0.0014-0.4464 ( 2454 PWs) bands (ev): -46.2366 -46.2366 -23.9265 -23.9248 -21.9312 -21.9284 -21.8231 -21.8212 -18.9903 -18.9902 -8.4538 -8.4487 -7.5878 -7.5721 -7.4771 -7.4656 -2.7210 -2.7158 -2.4878 -2.4866 -2.4207 -2.4145 3.2984 3.3016 3.6763 3.6830 4.0504 4.0582 5.3803 5.3937 5.5053 5.5195 6.8579 6.8775 6.8984 6.9148 7.0229 7.0276 8.1705 8.1709 12.6689 12.7293 12.7626 12.8108 13.5993 13.6126 15.1007 15.1130 k = 0.4539-0.0014-0.4554 ( 2454 PWs) bands (ev): -46.2366 -46.2366 -23.9269 -23.9255 -21.9321 -21.9297 -21.8233 -21.8217 -18.9901 -18.9901 -8.4513 -8.4470 -7.5785 -7.5652 -7.4668 -7.4569 -2.7215 -2.7170 -2.4892 -2.4883 -2.4198 -2.4147 3.2859 3.2888 3.6549 3.6605 4.0213 4.0281 5.3773 5.3894 5.4930 5.5058 6.8624 6.8778 6.9061 6.9203 7.0178 7.0231 8.1835 8.1838 12.6956 12.7490 12.7823 12.8255 13.6247 13.6359 15.1017 15.1122 k = 0.4628-0.0015-0.4643 ( 2458 PWs) bands (ev): -46.2366 -46.2366 -23.9272 -23.9260 -21.9328 -21.9309 -21.8234 -21.8221 -18.9900 -18.9899 -8.4492 -8.4457 -7.5706 -7.5597 -7.4581 -7.4498 -2.7218 -2.7181 -2.4904 -2.4896 -2.4190 -2.4149 3.2760 3.2784 3.6370 3.6416 3.9973 4.0030 5.3753 5.3859 5.4829 5.4939 6.8657 6.8771 6.9140 6.9260 7.0133 7.0187 8.1943 8.1946 12.7187 12.7631 12.8007 12.8370 13.6460 13.6550 15.1027 15.1113 k = 0.4717-0.0015-0.4732 ( 2460 PWs) bands (ev): -46.2366 -46.2366 -23.9275 -23.9265 -21.9333 -21.9318 -21.8235 -21.8225 -18.9899 -18.9898 -8.4474 -8.4448 -7.5640 -7.5556 -7.4509 -7.4445 -2.7220 -2.7192 -2.4913 -2.4907 -2.4182 -2.4152 3.2684 3.2704 3.6228 3.6263 3.9785 3.9830 5.3744 5.3829 5.4750 5.4840 6.8681 6.8761 6.9214 6.9311 7.0095 7.0145 8.2029 8.2031 12.7380 12.7722 12.8170 12.8452 13.6630 13.6699 15.1036 15.1102 k = 0.4806-0.0015-0.4821 ( 2458 PWs) bands (ev): -46.2365 -46.2365 -23.9276 -23.9269 -21.9336 -21.9326 -21.8235 -21.8228 -18.9898 -18.9898 -8.4460 -8.4442 -7.5589 -7.5530 -7.4453 -7.4409 -2.7220 -2.7200 -2.4920 -2.4915 -2.4175 -2.4154 3.2631 3.2645 3.6125 3.6149 3.9650 3.9681 5.3743 5.3805 5.4696 5.4761 6.8698 6.8751 6.9278 6.9350 7.0068 7.0109 8.2092 8.2094 12.7535 12.7772 12.8305 12.8501 13.6757 13.6804 15.1045 15.1091 k = 0.4895-0.0016-0.4911 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9276 -23.9273 -21.9337 -21.9332 -21.8235 -21.8231 -18.9898 -18.9897 -8.4450 -8.4440 -7.5551 -7.5519 -7.4415 -7.4390 -2.7218 -2.7208 -2.4924 -2.4921 -2.4169 -2.4158 3.2600 3.2607 3.6062 3.6075 3.9568 3.9585 5.3749 5.3784 5.4667 5.4704 6.8713 6.8740 6.9328 6.9369 7.0054 7.0078 8.2132 8.2133 12.7653 12.7781 12.8408 12.8514 13.6841 13.6867 15.1055 15.1080 k = 0.4984-0.0016-0.5000 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9275 -23.9275 -21.9336 -21.9335 -21.8234 -21.8233 -18.9897 -18.9897 -8.4443 -8.4442 -7.5528 -7.5523 -7.4393 -7.4389 -2.7215 -2.7213 -2.4925 -2.4924 -2.4164 -2.4162 3.2589 3.2590 3.6040 3.6042 3.9539 3.9542 5.3761 5.3767 5.4666 5.4671 6.8725 6.8729 6.9360 6.9366 7.0055 7.0059 8.2148 8.2148 12.7733 12.7752 12.8477 12.8493 13.6882 13.6886 15.1065 15.1069 k = 0.5016 0.4968-0.0032 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9275 -23.9275 -21.9336 -21.9335 -21.8234 -21.8233 -18.9897 -18.9897 -8.4443 -8.4442 -7.5528 -7.5523 -7.4393 -7.4389 -2.7215 -2.7213 -2.4925 -2.4924 -2.4164 -2.4162 3.2589 3.2590 3.6040 3.6042 3.9539 3.9542 5.3761 5.3767 5.4666 5.4671 6.8725 6.8729 6.9360 6.9366 7.0055 7.0059 8.2148 8.2148 12.7733 12.7752 12.8477 12.8493 13.6882 13.6886 15.1065 15.1069 k = 0.5000 0.4984-0.0032 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9275 -23.9275 -21.9336 -21.9336 -21.8233 -21.8233 -18.9897 -18.9897 -8.4443 -8.4443 -7.5525 -7.5525 -7.4390 -7.4390 -2.7214 -2.7214 -2.4924 -2.4924 -2.4163 -2.4163 3.2589 3.2589 3.6040 3.6040 3.9539 3.9539 5.3764 5.3764 5.4668 5.4668 6.8727 6.8727 6.9363 6.9363 7.0056 7.0056 8.2149 8.2149 12.7743 12.7743 12.8486 12.8486 13.6884 13.6884 15.1067 15.1067 k = 0.5000 0.4984-0.0032 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9275 -23.9275 -21.9336 -21.9336 -21.8233 -21.8233 -18.9897 -18.9897 -8.4443 -8.4443 -7.5525 -7.5525 -7.4390 -7.4390 -2.7214 -2.7214 -2.4924 -2.4924 -2.4163 -2.4163 3.2589 3.2589 3.6040 3.6040 3.9539 3.9539 5.3764 5.3764 5.4668 5.4668 6.8727 6.8727 6.9363 6.9363 7.0056 7.0056 8.2149 8.2149 12.7743 12.7743 12.8486 12.8486 13.6884 13.6884 15.1067 15.1067 k = 0.5000 0.4984 0.0096 ( 2466 PWs) bands (ev): -46.2366 -46.2366 -23.9277 -23.9274 -21.9336 -21.9336 -21.8237 -21.8233 -18.9897 -18.9897 -8.4434 -8.4423 -7.5527 -7.5521 -7.4389 -7.4389 -2.7227 -2.7209 -2.4928 -2.4928 -2.4177 -2.4159 3.2590 3.2590 3.6040 3.6041 3.9548 3.9549 5.3725 5.3735 5.4637 5.4637 6.8753 6.8763 6.9398 6.9400 7.0000 7.0006 8.2149 8.2149 12.7725 12.7773 12.8485 12.8495 13.6883 13.6888 15.1124 15.1169 k = 0.5001 0.4985 0.0223 ( 2466 PWs) bands (ev): -46.2366 -46.2366 -23.9279 -23.9274 -21.9336 -21.9335 -21.8244 -21.8235 -18.9896 -18.9896 -8.4396 -8.4374 -7.5527 -7.5514 -7.4386 -7.4386 -2.7247 -2.7211 -2.4940 -2.4939 -2.4201 -2.4165 3.2590 3.2591 3.6040 3.6043 3.9575 3.9576 5.3621 5.3639 5.4546 5.4546 6.8832 6.8855 6.9499 6.9504 6.9852 6.9861 8.2151 8.2151 12.7717 12.7815 12.8495 12.8512 13.6885 13.6895 15.1340 15.1429 k = 0.5001 0.4985 0.0350 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9282 -23.9275 -21.9336 -21.9335 -21.8254 -21.8240 -18.9895 -18.9895 -8.4330 -8.4297 -7.5524 -7.5505 -7.4381 -7.4380 -2.7275 -2.7221 -2.4958 -2.4957 -2.4235 -2.4181 3.2592 3.2593 3.6040 3.6045 3.9620 3.9622 5.3454 5.3481 5.4397 5.4397 6.8905 6.8952 6.9583 6.9596 6.9744 6.9751 8.2153 8.2154 12.7717 12.7868 12.8522 12.8537 13.6889 13.6905 15.1710 15.1839 k = 0.5002 0.4986 0.0478 ( 2464 PWs) bands (ev): -46.2366 -46.2366 -23.9287 -23.9277 -21.9337 -21.9334 -21.8267 -21.8249 -18.9894 -18.9894 -8.4235 -8.4192 -7.5519 -7.5493 -7.4373 -7.4372 -2.7310 -2.7239 -2.4984 -2.4982 -2.4278 -2.4207 3.2593 3.2595 3.6041 3.6047 3.9682 3.9685 5.3230 5.3265 5.4196 5.4196 6.8771 6.8842 6.9578 6.9594 6.9953 6.9954 8.2157 8.2157 12.7724 12.7932 12.8568 12.8576 13.6897 13.6918 15.2226 15.2391 k = 0.5002 0.4986 0.0605 ( 2458 PWs) bands (ev): -46.2365 -46.2365 -23.9291 -23.9280 -21.9337 -21.9334 -21.8282 -21.8260 -18.9892 -18.9892 -8.4113 -8.4059 -7.5512 -7.5479 -7.4363 -7.4362 -2.7352 -2.7264 -2.5017 -2.5014 -2.4331 -2.4243 3.2596 3.2598 3.6042 3.6050 3.9762 3.9765 5.2954 5.2997 5.3948 5.3949 6.8340 6.8417 6.9803 6.9809 7.0249 7.0252 8.2161 8.2162 12.7740 12.8004 12.8634 12.8639 13.6908 13.6934 15.2877 15.3072 k = 0.5002 0.4986 0.0733 ( 2462 PWs) bands (ev): -46.2365 -46.2365 -23.9297 -23.9283 -21.9337 -21.9333 -21.8300 -21.8274 -18.9889 -18.9889 -8.3964 -8.3898 -7.5502 -7.5463 -7.4351 -7.4350 -2.7401 -2.7296 -2.5057 -2.5054 -2.4392 -2.4288 3.2599 3.2601 3.6043 3.6052 3.9859 3.9863 5.2635 5.2684 5.3661 5.3662 6.7741 6.7824 7.0140 7.0141 7.0600 7.0604 8.2167 8.2168 12.7764 12.8083 12.8716 12.8737 13.6921 13.6952 15.3651 15.3870 k = 0.5003 0.4987 0.0860 ( 2462 PWs) bands (ev): -46.2364 -46.2364 -23.9304 -23.9288 -21.9337 -21.9332 -21.8321 -21.8291 -18.9886 -18.9886 -8.3788 -8.3712 -7.5491 -7.5444 -7.4338 -7.4336 -2.7457 -2.7335 -2.5104 -2.5099 -2.4462 -2.4342 3.2603 3.2605 3.6043 3.6054 3.9971 3.9976 5.2278 5.2334 5.3341 5.3342 6.7029 6.7120 7.0535 7.0541 7.0995 7.1000 8.2173 8.2174 12.7802 12.8167 12.8827 12.8862 13.6938 13.6974 15.4532 15.4770 k = 0.5003 0.4987 0.0987 ( 2462 PWs) bands (ev): -46.2364 -46.2364 -23.9311 -23.9293 -21.9337 -21.9332 -21.8345 -21.8310 -18.9883 -18.9883 -8.3587 -8.3500 -7.5477 -7.5423 -7.4322 -7.4320 -2.7518 -2.7381 -2.5157 -2.5151 -2.4539 -2.4404 3.2607 3.2610 3.6043 3.6055 4.0100 4.0105 5.1891 5.1951 5.2995 5.2995 6.6225 6.6325 7.0976 7.0983 7.1427 7.1433 8.2181 8.2182 12.7855 12.8258 12.8969 12.9015 13.6958 13.6998 15.5505 15.5755 k = 0.5004 0.4988 0.1115 ( 2453 PWs) bands (ev): -46.2362 -46.2362 -23.9319 -23.9299 -21.9336 -21.9331 -21.8370 -21.8332 -18.9880 -18.9880 -8.3362 -8.3263 -7.5461 -7.5400 -7.4304 -7.4302 -2.7585 -2.7433 -2.5215 -2.5209 -2.4623 -2.4475 3.2611 3.2615 3.6042 3.6055 4.0242 4.0248 5.1478 5.1544 5.2628 5.2628 6.5343 6.5452 7.1450 7.1459 7.1890 7.1896 8.2189 8.2190 12.7927 12.8360 12.9143 12.9196 13.6981 13.7026 15.6555 15.6811 k = 0.5004 0.4988 0.1242 ( 2455 PWs) bands (ev): -46.2361 -46.2361 -23.9327 -23.9306 -21.9337 -21.9331 -21.8398 -21.8356 -18.9876 -18.9876 -8.3113 -8.3004 -7.5443 -7.5375 -7.4285 -7.4282 -2.7658 -2.7492 -2.5280 -2.5272 -2.4714 -2.4553 3.2616 3.2620 3.6039 3.6054 4.0398 4.0405 5.1045 5.1115 5.2246 5.2246 6.4394 6.4513 7.1950 7.1960 7.2376 7.2383 8.2198 8.2200 12.8022 12.8476 12.9345 12.9402 13.7007 13.7056 15.7663 15.7919 k = 0.5004 0.4989 0.1369 ( 2453 PWs) bands (ev): -46.2360 -46.2360 -23.9336 -23.9313 -21.9337 -21.9330 -21.8427 -21.8383 -18.9872 -18.9872 -8.2842 -8.2722 -7.5424 -7.5347 -7.4264 -7.4261 -2.7735 -2.7556 -2.5350 -2.5341 -2.4811 -2.4638 3.2622 3.2626 3.6035 3.6051 4.0567 4.0574 5.0597 5.0670 5.1853 5.1854 6.3391 6.3519 7.2469 7.2479 7.2880 7.2888 8.2207 8.2210 12.8140 12.8609 12.9575 12.9633 13.7035 13.7089 15.8813 15.9064 k = 0.5005 0.4989 0.1497 ( 2452 PWs) bands (ev): -46.2360 -46.2360 -23.9346 -23.9321 -21.9337 -21.9330 -21.8458 -21.8411 -18.9867 -18.9867 -8.2551 -8.2420 -7.5403 -7.5318 -7.4242 -7.4238 -2.7817 -2.7626 -2.5424 -2.5414 -2.4913 -2.4729 3.2628 3.2632 3.6029 3.6046 4.0747 4.0754 5.0135 5.0213 5.1454 5.1456 6.2344 6.2481 7.3002 7.3011 7.3397 7.3406 8.2218 8.2220 12.8284 12.8763 12.9829 12.9887 13.7066 13.7124 15.9987 16.0227 k = 0.5005 0.4989 0.1624 ( 2450 PWs) bands (ev): -46.2358 -46.2358 -23.9356 -23.9330 -21.9337 -21.9329 -21.8490 -21.8440 -18.9862 -18.9862 -8.2241 -8.2098 -7.5380 -7.5286 -7.4218 -7.4214 -2.7903 -2.7700 -2.5503 -2.5491 -2.5020 -2.4826 3.2634 3.2639 3.6019 3.6037 4.0937 4.0945 4.9665 4.9745 5.1053 5.1055 6.1265 6.1410 7.3543 7.3551 7.3922 7.3932 8.2229 8.2232 12.8453 12.8939 13.0107 13.0164 13.7099 13.7162 16.1166 16.1390 k = 0.5006 0.4990 0.1752 ( 2448 PWs) bands (ev): -46.2357 -46.2357 -23.9366 -23.9339 -21.9337 -21.9329 -21.8524 -21.8471 -18.9857 -18.9857 -8.1914 -8.1760 -7.5356 -7.5252 -7.4193 -7.4188 -2.7992 -2.7779 -2.5585 -2.5571 -2.5130 -2.4928 3.2641 3.2646 3.6007 3.6026 4.1136 4.1144 4.9186 4.9269 5.0652 5.0654 6.0165 6.0317 7.4089 7.4096 7.4452 7.4462 8.2240 8.2244 12.8649 12.9137 13.0407 13.0462 13.7135 13.7202 16.2331 16.2533 k = 0.5006 0.4990 0.1879 ( 2450 PWs) bands (ev): -46.2357 -46.2357 -23.9377 -23.9349 -21.9338 -21.9329 -21.8558 -21.8503 -18.9852 -18.9852 -8.1571 -8.1406 -7.5330 -7.5217 -7.4167 -7.4162 -2.8083 -2.7862 -2.5671 -2.5655 -2.5242 -2.5034 3.2648 3.2653 3.5990 3.6010 4.1342 4.1350 4.8701 4.8786 5.0254 5.0257 5.9054 5.9213 7.4634 7.4640 7.4983 7.4993 8.2252 8.2256 12.8869 12.9357 13.0727 13.0780 13.7173 13.7245 16.3463 16.3638 k = 0.5007 0.4991 0.2006 ( 2450 PWs) bands (ev): -46.2356 -46.2356 -23.9388 -23.9359 -21.9339 -21.9330 -21.8592 -21.8536 -18.9847 -18.9847 -8.1216 -8.1038 -7.5303 -7.5180 -7.4140 -7.4134 -2.8177 -2.7948 -2.5760 -2.5742 -2.5357 -2.5144 3.2655 3.2661 3.5968 3.5989 4.1554 4.1562 4.8210 4.8296 4.9862 4.9865 5.7943 5.8109 7.5176 7.5181 7.5510 7.5520 8.2265 8.2269 12.9113 12.9599 13.1067 13.1116 13.7214 13.7289 16.4540 16.4683 k = 0.5007 0.4991 0.2134 ( 2448 PWs) bands (ev): -46.2355 -46.2355 -23.9399 -23.9370 -21.9340 -21.9331 -21.8627 -21.8570 -18.9842 -18.9842 -8.0849 -8.0660 -7.5275 -7.5140 -7.4113 -7.4106 -2.8272 -2.8037 -2.5851 -2.5830 -2.5473 -2.5257 3.2663 3.2668 3.5940 3.5963 4.1769 4.1777 4.7714 4.7801 4.9477 4.9480 5.6845 5.7015 7.5712 7.5715 7.6032 7.6042 8.2278 8.2282 12.9381 12.9863 13.1423 13.1470 13.7256 13.7336 16.5543 16.5650 k = 0.5007 0.4991 0.2261 ( 2443 PWs) bands (ev): -46.2353 -46.2353 -23.9410 -23.9380 -21.9342 -21.9332 -21.8662 -21.8604 -18.9836 -18.9836 -8.0474 -8.0272 -7.5246 -7.5099 -7.4084 -7.4077 -2.8367 -2.8129 -2.5943 -2.5920 -2.5590 -2.5371 3.2670 3.2676 3.5906 3.5929 4.1986 4.1995 4.7213 4.7299 4.9102 4.9106 5.5770 5.5943 7.6239 7.6240 7.6545 7.6556 8.2291 8.2296 12.9669 13.0145 13.1796 13.1840 13.7301 13.7385 16.6454 16.6520 k = 0.5008 0.4992 0.2389 ( 2439 PWs) bands (ev): -46.2352 -46.2352 -23.9421 -23.9391 -21.9343 -21.9333 -21.8696 -21.8637 -18.9830 -18.9830 -8.0092 -7.9878 -7.5215 -7.5055 -7.4056 -7.4047 -2.8463 -2.8222 -2.6036 -2.6011 -2.5706 -2.5487 3.2678 3.2684 3.5863 3.5887 4.2203 4.2212 4.6706 4.6791 4.8737 4.8741 5.4728 5.4903 7.6753 7.6753 7.7047 7.7058 8.2304 8.2310 12.9976 13.0444 13.2183 13.2224 13.7348 13.7437 16.7257 16.7280 k = 0.5008 0.4992 0.2516 ( 2439 PWs) bands (ev): -46.2351 -46.2351 -23.9433 -23.9403 -21.9346 -21.9335 -21.8730 -21.8671 -18.9825 -18.9825 -7.9707 -7.9479 -7.5184 -7.5010 -7.4027 -7.4018 -2.8559 -2.8316 -2.6129 -2.6102 -2.5821 -2.5604 3.2686 3.2692 3.5810 3.5836 4.2417 4.2426 4.6195 4.6276 4.8384 4.8389 5.3732 5.3906 7.7252 7.7254 7.7536 7.7547 8.2317 8.2324 13.0299 13.0759 13.2582 13.2619 13.7398 13.7491 16.7924 16.7943 k = 0.5009 0.4993 0.2643 ( 2443 PWs) bands (ev): -46.2350 -46.2350 -23.9444 -23.9414 -21.9348 -21.9338 -21.8763 -21.8704 -18.9819 -18.9819 -7.9322 -7.9080 -7.5151 -7.4961 -7.3998 -7.3988 -2.8653 -2.8411 -2.6222 -2.6193 -2.5935 -2.5721 3.2694 3.2700 3.5746 3.5772 4.2625 4.2633 4.5681 4.5757 4.8045 4.8050 5.2790 5.2961 7.7735 7.7738 7.8009 7.8021 8.2331 8.2338 13.0637 13.1086 13.2990 13.3024 13.7450 13.7547 16.8450 16.8511 k = 0.5009 0.4993 0.2771 ( 2438 PWs) bands (ev): -46.2349 -46.2349 -23.9455 -23.9425 -21.9351 -21.9341 -21.8795 -21.8737 -18.9813 -18.9813 -7.8939 -7.8682 -7.5116 -7.4910 -7.3970 -7.3958 -2.8746 -2.8505 -2.6314 -2.6282 -2.6046 -2.5836 3.2702 3.2708 3.5668 3.5695 4.2818 4.2828 4.5169 4.5238 4.7720 4.7725 5.1911 5.2077 7.8200 7.8205 7.8466 7.8478 8.2344 8.2352 13.0985 13.1423 13.3406 13.3436 13.7505 13.7606 16.8868 16.8967 k = 0.5009 0.4993 0.2898 ( 2440 PWs) bands (ev): -46.2348 -46.2348 -23.9466 -23.9437 -21.9355 -21.9346 -21.8825 -21.8768 -18.9808 -18.9808 -7.8562 -7.8289 -7.5080 -7.4856 -7.3942 -7.3928 -2.8836 -2.8600 -2.6404 -2.6370 -2.6155 -2.5951 3.2710 3.2716 3.5575 3.5602 4.2984 4.2995 4.4676 4.4734 4.7409 4.7414 5.1103 5.1261 7.8645 7.8652 7.8903 7.8915 8.2357 8.2366 13.1340 13.1765 13.3827 13.3853 13.7563 13.7668 16.9188 16.9322 k = 0.5010 0.4994 0.3026 ( 2444 PWs) bands (ev): -46.2348 -46.2348 -23.9476 -23.9448 -21.9360 -21.9350 -21.8853 -21.8798 -18.9803 -18.9803 -7.8194 -7.7905 -7.5041 -7.4798 -7.3914 -7.3899 -2.8924 -2.8692 -2.6491 -2.6456 -2.6260 -2.6063 3.2718 3.2724 3.5463 3.5492 4.3082 4.3098 4.4245 4.4287 4.7115 4.7120 5.0369 5.0517 7.9069 7.9078 7.9321 7.9333 8.2370 8.2380 13.1699 13.2110 13.4249 13.4270 13.7624 13.7734 16.9425 16.9591 k = 0.5010 0.4994 0.3153 ( 2442 PWs) bands (ev): -46.2347 -46.2347 -23.9486 -23.9459 -21.9365 -21.9356 -21.8880 -21.8827 -18.9798 -18.9798 -7.7838 -7.7533 -7.4999 -7.4736 -7.3887 -7.3870 -2.9008 -2.8783 -2.6576 -2.6539 -2.6361 -2.6172 3.2726 3.2732 3.5332 3.5360 4.3002 4.3029 4.3988 4.4009 4.6836 4.6841 4.9711 4.9846 7.9472 7.9481 7.9716 7.9729 8.2383 8.2394 13.2059 13.2454 13.4670 13.4687 13.7691 13.7803 16.9597 16.9791 k = 0.5011 0.4995 0.3280 ( 2442 PWs) bands (ev): -46.2346 -46.2346 -23.9496 -23.9470 -21.9370 -21.9362 -21.8904 -21.8853 -18.9793 -18.9792 -7.7499 -7.7177 -7.4952 -7.4669 -7.3860 -7.3842 -2.9089 -2.8872 -2.6656 -2.6619 -2.6458 -2.6278 3.2733 3.2739 3.5179 3.5207 4.2689 4.2718 4.3970 4.3978 4.6575 4.6580 4.9127 4.9249 7.9850 7.9861 8.0089 8.0102 8.2396 8.2408 13.2414 13.2792 13.5085 13.5097 13.7762 13.7877 16.9718 16.9936 k = 0.5011 0.4995 0.3408 ( 2438 PWs) bands (ev): -46.2345 -46.2345 -23.9505 -23.9480 -21.9376 -21.9369 -21.8926 -21.8878 -18.9788 -18.9788 -7.7181 -7.6843 -7.4899 -7.4596 -7.3835 -7.3815 -2.9164 -2.8957 -2.6733 -2.6696 -2.6550 -2.6379 3.2741 3.2746 3.5004 3.5030 4.2273 4.2296 4.4068 4.4071 4.6331 4.6336 4.8614 4.8722 8.0205 8.0216 8.0437 8.0451 8.2408 8.2422 13.2762 13.3120 13.5492 13.5498 13.7839 13.7956 16.9801 17.0040 k = 0.5011 0.4995 0.3535 ( 2442 PWs) bands (ev): -46.2344 -46.2344 -23.9514 -23.9490 -21.9383 -21.9376 -21.8946 -21.8901 -18.9783 -18.9783 -7.6886 -7.6535 -7.4837 -7.4516 -7.3810 -7.3788 -2.9235 -2.9039 -2.6804 -2.6768 -2.6636 -2.6477 3.2748 3.2753 3.4806 3.4831 4.1847 4.1862 4.4197 4.4197 4.6105 4.6110 4.8167 4.8261 8.0534 8.0546 8.0761 8.0775 8.2420 8.2436 13.3097 13.3434 13.5886 13.5886 13.7922 13.8041 16.9858 17.0115 k = 0.5012 0.4996 0.3662 ( 2442 PWs) bands (ev): -46.2344 -46.2344 -23.9522 -23.9500 -21.9390 -21.9384 -21.8963 -21.8922 -18.9779 -18.9779 -7.6619 -7.6261 -7.4763 -7.4430 -7.3786 -7.3762 -2.9300 -2.9117 -2.6870 -2.6835 -2.6717 -2.6569 3.2754 3.2759 3.4587 3.4610 4.1445 4.1453 4.4326 4.4328 4.5897 4.5901 4.7781 4.7862 8.0837 8.0850 8.1058 8.1074 8.2432 8.2450 13.3417 13.3731 13.6255 13.6261 13.8012 13.8132 16.9897 17.0170 k = 0.5012 0.4996 0.3790 ( 2444 PWs) bands (ev): -46.2343 -46.2343 -23.9529 -23.9509 -21.9397 -21.9392 -21.8978 -21.8941 -18.9775 -18.9775 -7.6381 -7.6026 -7.4673 -7.4337 -7.3763 -7.3737 -2.9360 -2.9190 -2.6930 -2.6897 -2.6791 -2.6655 3.2761 3.2765 3.4352 3.4373 4.1081 4.1084 4.4447 4.4451 4.5707 4.5712 4.7452 4.7520 8.1112 8.1126 8.1329 8.1346 8.2444 8.2464 13.3716 13.4005 13.6601 13.6613 13.8110 13.8229 16.9927 17.0214 k = 0.5013 0.4997 0.3917 ( 2446 PWs) bands (ev): -46.2343 -46.2343 -23.9536 -23.9517 -21.9404 -21.9401 -21.8991 -21.8958 -18.9771 -18.9771 -7.6174 -7.5834 -7.4568 -7.4240 -7.3741 -7.3712 -2.9413 -2.9258 -2.6984 -2.6954 -2.6860 -2.6736 3.2766 3.2771 3.4108 3.4125 4.0761 4.0762 4.4555 4.4560 4.5536 4.5541 4.7175 4.7232 8.1361 8.1375 8.1572 8.1590 8.2457 8.2480 13.3992 13.4254 13.6919 13.6937 13.8217 13.8333 16.9954 17.0251 k = 0.5013 0.4997 0.4045 ( 2447 PWs) bands (ev): -46.2343 -46.2343 -23.9542 -23.9525 -21.9411 -21.9409 -21.9002 -21.8972 -18.9768 -18.9768 -7.5999 -7.5685 -7.4448 -7.4142 -7.3718 -7.3688 -2.9460 -2.9321 -2.7031 -2.7004 -2.6921 -2.6810 3.2772 3.2776 3.3861 3.3876 4.0486 4.0489 4.4646 4.4653 4.5385 4.5389 4.6947 4.6992 8.1581 8.1596 8.1786 8.1805 8.2471 8.2497 13.4241 13.4475 13.7204 13.7227 13.8332 13.8442 16.9981 17.0286 k = 0.5013 0.4997 0.4172 ( 2448 PWs) bands (ev): -46.2342 -46.2342 -23.9547 -23.9532 -21.9418 -21.9416 -21.9010 -21.8985 -18.9765 -18.9765 -7.5852 -7.5576 -7.4322 -7.4048 -7.3694 -7.3664 -2.9500 -2.9378 -2.7071 -2.7048 -2.6975 -2.6877 3.2776 3.2780 3.3621 3.3633 4.0258 4.0262 4.4719 4.4727 4.5253 4.5256 4.6763 4.6799 8.1772 8.1788 8.1969 8.1990 8.2488 8.2517 13.4463 13.4667 13.7453 13.7478 13.8453 13.8556 17.0011 17.0319 k = 0.5014 0.4998 0.4299 ( 2451 PWs) bands (ev): -46.2342 -46.2342 -23.9551 -23.9538 -21.9424 -21.9423 -21.9017 -21.8996 -18.9763 -18.9763 -7.5732 -7.5499 -7.4199 -7.3966 -7.3667 -7.3639 -2.9533 -2.9429 -2.7104 -2.7086 -2.7022 -2.6936 3.2781 3.2784 3.3398 3.3407 4.0072 4.0077 4.4774 4.4782 4.5140 4.5143 4.6620 4.6647 8.1933 8.1951 8.2120 8.2141 8.2510 8.2541 13.4654 13.4827 13.7663 13.7688 13.8578 13.8669 17.0044 17.0347 k = 0.5014 0.4998 0.4427 ( 2447 PWs) bands (ev): -46.2341 -46.2341 -23.9554 -23.9544 -21.9429 -21.9429 -21.9022 -21.9005 -18.9761 -18.9761 -7.5635 -7.5447 -7.4087 -7.3900 -7.3636 -7.3614 -2.9559 -2.9473 -2.7130 -2.7117 -2.7061 -2.6988 3.2784 3.2787 3.3200 3.3207 3.9926 3.9931 4.4812 4.4820 4.5047 4.5049 4.6514 4.6533 8.2064 8.2082 8.2239 8.2257 8.2540 8.2572 13.4814 13.4955 13.7834 13.7855 13.8700 13.8776 17.0079 17.0365 k = 0.5015 0.4999 0.4554 ( 2445 PWs) bands (ev): -46.2341 -46.2341 -23.9556 -23.9548 -21.9434 -21.9434 -21.9026 -21.9012 -18.9759 -18.9759 -7.5559 -7.5416 -7.3995 -7.3856 -7.3601 -7.3588 -2.9577 -2.9510 -2.7149 -2.7142 -2.7091 -2.7032 3.2787 3.2789 3.3035 3.3040 3.9816 3.9819 4.4836 4.4843 4.4974 4.4976 4.6438 4.6451 8.2164 8.2182 8.2325 8.2338 8.2581 8.2607 13.4944 13.5053 13.7966 13.7983 13.8811 13.8870 17.0111 17.0357 k = 0.5015 0.4999 0.4682 ( 2441 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9552 -21.9437 -21.9437 -21.9027 -21.9018 -18.9758 -18.9758 -7.5500 -7.5400 -7.3924 -7.3832 -7.3569 -7.3563 -2.9588 -2.9540 -2.7162 -2.7159 -2.7112 -2.7068 3.2789 3.2791 3.2910 3.2913 3.9737 3.9740 4.4848 4.4852 4.4923 4.4924 4.6388 4.6396 8.2233 8.2249 8.2384 8.2390 8.2623 8.2642 13.5043 13.5119 13.8062 13.8074 13.8902 13.8944 17.0136 17.0315 k = 0.5015 0.4999 0.4809 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9555 -21.9440 -21.9440 -21.9028 -21.9023 -18.9757 -18.9757 -7.5456 -7.5399 -7.3875 -7.3825 -7.3545 -7.3544 -2.9591 -2.9563 -2.7170 -2.7169 -2.7121 -2.7095 3.2791 3.2792 3.2828 3.2829 3.9689 3.9691 4.4849 4.4851 4.4895 4.4896 4.6358 4.6363 8.2274 8.2285 8.2420 8.2421 8.2658 8.2668 13.5111 13.5155 13.8124 13.8129 13.8967 13.8991 17.0156 17.0257 k = 0.5016 0.5000 0.4936 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9557 -21.9441 -21.9441 -21.9027 -21.9026 -18.9757 -18.9757 -7.5426 -7.5410 -7.3845 -7.3832 -7.3534 -7.3534 -2.9586 -2.9579 -2.7174 -2.7174 -2.7120 -2.7112 3.2791 3.2791 3.2795 3.2795 3.9669 3.9669 4.4846 4.4847 4.4888 4.4888 4.6346 4.6347 8.2293 8.2296 8.2435 8.2435 8.2676 8.2679 13.5149 13.5162 13.8151 13.8151 13.9000 13.9007 17.0182 17.0209 k = 0.5016 0.5000 0.4936 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9557 -21.9441 -21.9441 -21.9027 -21.9026 -18.9757 -18.9757 -7.5426 -7.5410 -7.3845 -7.3832 -7.3534 -7.3534 -2.9586 -2.9579 -2.7174 -2.7174 -2.7120 -2.7112 3.2791 3.2791 3.2795 3.2795 3.9669 3.9669 4.4846 4.4847 4.4888 4.4888 4.6346 4.6347 8.2293 8.2296 8.2435 8.2435 8.2676 8.2679 13.5149 13.5162 13.8151 13.8151 13.9000 13.9007 17.0182 17.0209 k = 0.5000 0.4984 0.4968 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9557 -23.9557 -21.9441 -21.9441 -21.9026 -21.9026 -18.9757 -18.9757 -7.5418 -7.5418 -7.3838 -7.3838 -7.3534 -7.3534 -2.9583 -2.9583 -2.7174 -2.7174 -2.7116 -2.7116 3.2790 3.2790 3.2794 3.2794 3.9667 3.9667 4.4846 4.4846 4.4887 4.4887 4.6346 4.6346 8.2296 8.2296 8.2436 8.2436 8.2679 8.2679 13.5157 13.5157 13.8153 13.8153 13.9005 13.9005 17.0195 17.0195 k = 0.5000-0.0016-0.0016 ( 2430 PWs) bands (ev): -46.2384 -46.2384 -23.8977 -23.8977 -21.8899 -21.8899 -21.7793 -21.7793 -18.9989 -18.9989 -8.7223 -8.7223 -8.2772 -8.2772 -7.4401 -7.4401 -2.6817 -2.6817 -2.4468 -2.4468 -2.3742 -2.3742 3.3808 3.3808 5.5510 5.5510 5.6133 5.6133 6.2804 6.2804 6.3498 6.3498 6.4115 6.4115 6.7654 6.7654 6.9389 6.9389 7.3158 7.3158 10.9310 10.9310 12.6827 12.6827 12.9057 12.9057 14.2174 14.2174 k = 0.5001 0.0073 0.0073 ( 2430 PWs) bands (ev): -46.2384 -46.2384 -23.8979 -23.8977 -21.8900 -21.8898 -21.7795 -21.7794 -18.9989 -18.9988 -8.7217 -8.7211 -8.2767 -8.2766 -7.4403 -7.4401 -2.6818 -2.6818 -2.4468 -2.4468 -2.3744 -2.3744 3.3807 3.3808 5.5475 5.5483 5.6071 5.6086 6.2719 6.2859 6.3480 6.3505 6.4113 6.4188 6.7682 6.7684 6.9371 6.9374 7.3141 7.3141 10.9337 10.9337 12.6822 12.6838 12.9038 12.9076 14.2209 14.2239 k = 0.5001 0.0162 0.0162 ( 2434 PWs) bands (ev): -46.2385 -46.2385 -23.8981 -23.8978 -21.8902 -21.8898 -21.7799 -21.7797 -18.9988 -18.9988 -8.7193 -8.7182 -8.2748 -8.2748 -7.4406 -7.4403 -2.6820 -2.6819 -2.4468 -2.4468 -2.3749 -2.3749 3.3806 3.3808 5.5376 5.5395 5.5909 5.5934 6.2617 6.2857 6.3450 6.3484 6.4206 6.4336 6.7768 6.7771 6.9318 6.9326 7.3089 7.3091 10.9417 10.9417 12.6820 12.6851 12.9019 12.9094 14.2344 14.2404 k = 0.5002 0.0251 0.0250 ( 2442 PWs) bands (ev): -46.2385 -46.2385 -23.8984 -23.8979 -21.8905 -21.8899 -21.7805 -21.7803 -18.9988 -18.9987 -8.7152 -8.7136 -8.2718 -8.2718 -7.4411 -7.4406 -2.6822 -2.6821 -2.4469 -2.4469 -2.3759 -2.3758 3.3804 3.3808 5.5208 5.5244 5.5669 5.5692 6.2490 6.2782 6.3385 6.3422 6.4417 6.4564 6.7908 6.7911 6.9232 6.9244 7.3006 7.3009 10.9549 10.9550 12.6822 12.6869 12.9002 12.9112 14.2578 14.2666 k = 0.5002 0.0340 0.0339 ( 2448 PWs) bands (ev): -46.2386 -46.2386 -23.8988 -23.8981 -21.8908 -21.8900 -21.7813 -21.7810 -18.9987 -18.9986 -8.7094 -8.7072 -8.2676 -8.2676 -7.4417 -7.4410 -2.6826 -2.6825 -2.4469 -2.4469 -2.3771 -2.3770 3.3802 3.3807 5.4962 5.5024 5.5383 5.5390 6.2327 6.2635 6.3282 6.3322 6.4730 6.4864 6.8097 6.8099 6.9112 6.9129 7.2898 7.2902 10.9733 10.9735 12.6829 12.6891 12.8988 12.9131 14.2909 14.3022 k = 0.5003 0.0429 0.0428 ( 2452 PWs) bands (ev): -46.2386 -46.2386 -23.8993 -23.8985 -21.8912 -21.8902 -21.7823 -21.7820 -18.9986 -18.9985 -8.7018 -8.6990 -8.2623 -8.2622 -7.4424 -7.4416 -2.6831 -2.6829 -2.4470 -2.4470 -2.3787 -2.3785 3.3799 3.3805 5.4629 5.4720 5.5066 5.5082 6.2117 6.2419 6.3152 6.3190 6.5116 6.5222 6.8326 6.8327 6.8958 6.8983 7.2770 7.2775 10.9968 10.9970 12.6842 12.6918 12.8980 12.9152 14.3332 14.3468 k = 0.5003 0.0518 0.0516 ( 2452 PWs) bands (ev): -46.2386 -46.2386 -23.8999 -23.8989 -21.8917 -21.8904 -21.7835 -21.7831 -18.9984 -18.9984 -8.6925 -8.6892 -8.2557 -8.2556 -7.4433 -7.4423 -2.6838 -2.6835 -2.4472 -2.4471 -2.3806 -2.3803 3.3796 3.3803 5.4220 5.4327 5.4745 5.4775 6.1855 6.2139 6.2998 6.3030 6.5545 6.5619 6.8574 6.8581 6.8780 6.8819 7.2632 7.2639 11.0252 11.0255 12.6862 12.6950 12.8979 12.9177 14.3843 14.3998 k = 0.5004 0.0607 0.0605 ( 2458 PWs) bands (ev): -46.2386 -46.2386 -23.9005 -23.8994 -21.8922 -21.8908 -21.7849 -21.7845 -18.9982 -18.9982 -8.6816 -8.6776 -8.2480 -8.2479 -7.4443 -7.4431 -2.6847 -2.6843 -2.4474 -2.4473 -2.3828 -2.3823 3.3793 3.3801 5.3760 5.3872 5.4421 5.4455 6.1541 6.1804 6.2817 6.2843 6.5997 6.6033 6.8536 6.8573 6.8899 6.8907 7.2495 7.2505 11.0584 11.0588 12.6888 12.6988 12.8987 12.9208 14.4436 14.4608 k = 0.5005 0.0696 0.0694 ( 2458 PWs) bands (ev): -46.2386 -46.2386 -23.9013 -23.8999 -21.8928 -21.8912 -21.7866 -21.7861 -18.9980 -18.9980 -8.6689 -8.6644 -8.2391 -8.2391 -7.4454 -7.4440 -2.6858 -2.6853 -2.4478 -2.4477 -2.3853 -2.3846 3.3790 3.3799 5.3268 5.3380 5.4082 5.4119 6.1178 6.1421 6.2604 6.2623 6.6432 6.6440 6.8311 6.8379 6.9201 6.9202 7.2373 7.2385 11.0960 11.0966 12.6922 12.7033 12.9005 12.9245 14.5107 14.5293 k = 0.5005 0.0785 0.0783 ( 2462 PWs) bands (ev): -46.2386 -46.2386 -23.9021 -23.9006 -21.8934 -21.8916 -21.7884 -21.7878 -18.9978 -18.9977 -8.6546 -8.6496 -8.2292 -8.2291 -7.4466 -7.4450 -2.6872 -2.6865 -2.4484 -2.4481 -2.3881 -2.3871 3.3786 3.3796 5.2758 5.2867 5.3727 5.3765 6.0772 6.0997 6.2351 6.2364 6.6746 6.6813 6.8125 6.8236 6.9507 6.9515 7.2280 7.2296 11.1380 11.1387 12.6965 12.7085 12.9036 12.9292 14.5848 14.6045 k = 0.5006 0.0874 0.0871 ( 2466 PWs) bands (ev): -46.2386 -46.2386 -23.9030 -23.9013 -21.8941 -21.8921 -21.7904 -21.7898 -18.9975 -18.9975 -8.6388 -8.6332 -8.2181 -8.2180 -7.4479 -7.4461 -2.6889 -2.6880 -2.4492 -2.4488 -2.3911 -2.3898 3.3782 3.3794 5.2238 5.2344 5.3355 5.3395 6.0328 6.0539 6.2052 6.2062 6.6839 6.6949 6.8141 6.8281 6.9806 6.9819 7.2234 7.2255 11.1839 11.1849 12.7017 12.7146 12.9080 12.9348 14.6655 14.6861 k = 0.5006 0.0963 0.0960 ( 2464 PWs) bands (ev): -46.2385 -46.2385 -23.9039 -23.9022 -21.8949 -21.8927 -21.7926 -21.7919 -18.9972 -18.9972 -8.6213 -8.6152 -8.2060 -8.2058 -7.4492 -7.4472 -2.6909 -2.6898 -2.4503 -2.4497 -2.3943 -2.3925 3.3778 3.3791 5.1714 5.1817 5.2970 5.3012 5.9853 6.0051 6.1702 6.1710 6.6657 6.6756 6.8448 6.8564 7.0083 7.0101 7.2254 7.2280 11.2336 11.2349 12.7080 12.7215 12.9137 12.9416 14.7522 14.7734 k = 0.5007 0.1052 0.1049 ( 2466 PWs) bands (ev): -46.2384 -46.2384 -23.9050 -23.9031 -21.8957 -21.8934 -21.7950 -21.7942 -18.9969 -18.9968 -8.6024 -8.5956 -8.1928 -8.1926 -7.4505 -7.4483 -2.6933 -2.6920 -2.4519 -2.4510 -2.3976 -2.3953 3.3774 3.3788 5.1192 5.1291 5.2574 5.2617 5.9352 5.9539 6.1299 6.1307 6.6304 6.6384 6.8892 6.8978 7.0326 7.0349 7.2356 7.2385 11.2868 11.2884 12.7153 12.7294 12.9210 12.9496 14.8442 14.8659 k = 0.5007 0.1141 0.1137 ( 2466 PWs) bands (ev): -46.2384 -46.2384 -23.9061 -23.9040 -21.8965 -21.8941 -21.7975 -21.7967 -18.9966 -18.9965 -8.5820 -8.5746 -8.1786 -8.1783 -7.4519 -7.4494 -2.6960 -2.6944 -2.4539 -2.4526 -2.4010 -2.3981 3.3770 3.3785 5.0675 5.0771 5.2167 5.2213 5.8829 5.9006 6.0843 6.0851 6.5860 6.5927 6.9379 6.9443 7.0533 7.0558 7.2542 7.2573 11.3432 11.3452 12.7239 12.7384 12.9298 12.9589 14.9410 14.9630 k = 0.5008 0.1230 0.1226 ( 2468 PWs) bands (ev): -46.2383 -46.2383 -23.9072 -23.9051 -21.8974 -21.8948 -21.8002 -21.7993 -18.9962 -18.9961 -8.5601 -8.5522 -8.1634 -8.1631 -7.4532 -7.4506 -2.6992 -2.6973 -2.4564 -2.4548 -2.4046 -2.4009 3.3767 3.3782 5.0167 5.0260 5.1753 5.1802 5.8288 5.8458 6.0334 6.0344 6.5355 6.5415 6.9878 6.9925 7.0715 7.0740 7.2805 7.2835 11.4025 11.4049 12.7336 12.7484 12.9401 12.9695 15.0421 15.0642 k = 0.5009 0.1319 0.1315 ( 2464 PWs) bands (ev): -46.2381 -46.2381 -23.9085 -23.9062 -21.8983 -21.8956 -21.8030 -21.8021 -18.9958 -18.9957 -8.5369 -8.5284 -8.1473 -8.1470 -7.4545 -7.4516 -2.7027 -2.7005 -2.4596 -2.4575 -2.4081 -2.4037 3.3763 3.3779 4.9670 4.9760 5.1332 5.1384 5.7733 5.7896 5.9776 5.9789 6.4805 6.4859 7.0377 7.0409 7.0890 7.0911 7.3125 7.3153 11.4644 11.4672 12.7447 12.7596 12.9520 12.9816 15.1469 15.1691 k = 0.5009 0.1408 0.1404 ( 2458 PWs) bands (ev): -46.2380 -46.2380 -23.9097 -23.9073 -21.8993 -21.8965 -21.8060 -21.8049 -18.9954 -18.9953 -8.5123 -8.5033 -8.1303 -8.1299 -7.4558 -7.4527 -2.7067 -2.7041 -2.4634 -2.4608 -2.4116 -2.4064 3.3760 3.3777 4.9187 4.9273 5.0905 5.0961 5.7167 5.7325 5.9175 5.9191 6.4216 6.4267 7.0857 7.0869 7.1093 7.1101 7.3484 7.3509 11.5286 11.5319 12.7571 12.7720 12.9654 12.9951 15.2549 15.2770 k = 0.5010 0.1497 0.1492 ( 2458 PWs) bands (ev): -46.2379 -46.2379 -23.9111 -23.9086 -21.9003 -21.8975 -21.8091 -21.8080 -18.9949 -18.9948 -8.4866 -8.4770 -8.1124 -8.1119 -7.4570 -7.4536 -2.7110 -2.7081 -2.4679 -2.4648 -2.4152 -2.4091 3.3756 3.3774 4.8719 4.8803 5.0473 5.0532 5.6594 5.6746 5.8535 5.8555 6.3594 6.3643 7.1183 7.1206 7.1429 7.1450 7.3868 7.3890 11.5948 11.5987 12.7709 12.7857 12.9804 13.0100 15.3655 15.3874 k = 0.5010 0.1586 0.1581 ( 2458 PWs) bands (ev): -46.2378 -46.2378 -23.9124 -23.9098 -21.9014 -21.8984 -21.8123 -21.8111 -18.9944 -18.9943 -8.4596 -8.4494 -8.0937 -8.0932 -7.4581 -7.4544 -2.7158 -2.7125 -2.4730 -2.4694 -2.4189 -2.4119 3.3753 3.3772 4.8269 4.8350 5.0036 5.0099 5.6015 5.6163 5.7865 5.7889 6.2944 6.2992 7.1406 7.1429 7.1895 7.1912 7.4265 7.4285 11.6627 11.6673 12.7861 12.8006 12.9969 13.0264 15.4782 15.4999 k = 0.5011 0.1675 0.1670 ( 2461 PWs) bands (ev): -46.2377 -46.2377 -23.9139 -23.9112 -21.9025 -21.8995 -21.8156 -21.8143 -18.9939 -18.9938 -8.4315 -8.4208 -8.0742 -8.0736 -7.4591 -7.4552 -2.7210 -2.7173 -2.4787 -2.4747 -2.4228 -2.4149 3.3751 3.3770 4.7837 4.7915 4.9593 4.9661 5.5433 5.5578 5.7171 5.7200 6.2270 6.2317 7.1635 7.1656 7.2369 7.2382 7.4670 7.4687 11.7321 11.7373 12.8027 12.8169 13.0149 13.0441 15.5926 15.6139 k = 0.5011 0.1764 0.1758 ( 2464 PWs) bands (ev): -46.2376 -46.2376 -23.9153 -23.9126 -21.9036 -21.9005 -21.8190 -21.8177 -18.9934 -18.9933 -8.4024 -8.3911 -8.0541 -8.0533 -7.4600 -7.4557 -2.7265 -2.7224 -2.4850 -2.4805 -2.4268 -2.4181 3.3748 3.3768 4.7424 4.7501 4.9143 4.9216 5.4850 5.4991 5.6460 5.6494 6.1576 6.1622 7.1882 7.1902 7.2838 7.2846 7.5077 7.5092 11.8026 11.8086 12.8207 12.8344 13.0344 13.0633 15.7080 15.7290 k = 0.5012 0.1853 0.1847 ( 2458 PWs) bands (ev): -46.2374 -46.2374 -23.9168 -23.9140 -21.9048 -21.9017 -21.8225 -21.8210 -18.9929 -18.9928 -8.3724 -8.3604 -8.0332 -8.0323 -7.4607 -7.4562 -2.7325 -2.7279 -2.4917 -2.4869 -2.4311 -2.4216 3.3746 3.3766 4.7033 4.7107 4.8687 4.8765 5.4268 5.4407 5.5739 5.5779 6.0866 6.0911 7.2150 7.2168 7.3298 7.3303 7.5482 7.5495 11.8742 11.8810 12.8402 12.8533 13.0553 13.0838 15.8240 15.8446 k = 0.5012 0.1942 0.1936 ( 2456 PWs) bands (ev): -46.2373 -46.2373 -23.9184 -23.9155 -21.9060 -21.9028 -21.8260 -21.8245 -18.9923 -18.9922 -8.3414 -8.3288 -8.0117 -8.0107 -7.4613 -7.4564 -2.7387 -2.7337 -2.4989 -2.4937 -2.4359 -2.4256 3.3744 3.3764 4.6662 4.6735 4.8221 4.8304 5.3689 5.3825 5.5016 5.5061 6.0143 6.0188 7.2437 7.2453 7.3749 7.3751 7.5883 7.5894 11.9464 11.9541 12.8610 12.8735 13.0776 13.1056 15.9401 15.9603 k = 0.5013 0.2031 0.2025 ( 2458 PWs) bands (ev): -46.2372 -46.2372 -23.9199 -23.9170 -21.9072 -21.9041 -21.8296 -21.8280 -18.9917 -18.9916 -8.3097 -8.2965 -7.9897 -7.9885 -7.4617 -7.4564 -2.7454 -2.7399 -2.5065 -2.5010 -2.4411 -2.4300 3.3742 3.3762 4.6313 4.6385 4.7744 4.7833 5.3115 5.3247 5.4298 5.4348 5.9412 5.9456 7.2742 7.2757 7.4189 7.4190 7.6277 7.6286 12.0191 12.0277 12.8833 12.8949 13.1012 13.1287 16.0556 16.0753 k = 0.5014 0.2120 0.2113 ( 2458 PWs) bands (ev): -46.2370 -46.2370 -23.9215 -23.9185 -21.9084 -21.9053 -21.8333 -21.8315 -18.9911 -18.9910 -8.2773 -8.2634 -7.9672 -7.9658 -7.4619 -7.4563 -2.7523 -2.7464 -2.5144 -2.5087 -2.4468 -2.4350 3.3740 3.3760 4.5985 4.6056 4.7255 4.7349 5.2546 5.2676 5.3592 5.3647 5.8675 5.8719 7.3065 7.3078 7.4618 7.4620 7.6663 7.6671 12.0920 12.1017 12.9070 12.9176 13.1259 13.1530 16.1700 16.1891 k = 0.5014 0.2209 0.2202 ( 2456 PWs) bands (ev): -46.2369 -46.2369 -23.9231 -23.9201 -21.9097 -21.9066 -21.8369 -21.8351 -18.9905 -18.9904 -8.2443 -8.2298 -7.9442 -7.9426 -7.4618 -7.4559 -2.7596 -2.7531 -2.5226 -2.5167 -2.4530 -2.4406 3.3737 3.3758 4.5678 4.5749 4.6750 4.6851 5.1984 5.2112 5.2904 5.2964 5.7937 5.7980 7.3402 7.3415 7.5037 7.5041 7.7040 7.7047 12.1650 12.1757 12.9319 12.9416 13.1518 13.1783 16.2826 16.3011 k = 0.5015 0.2298 0.2291 ( 2452 PWs) bands (ev): -46.2367 -46.2367 -23.9247 -23.9217 -21.9110 -21.9080 -21.8406 -21.8387 -18.9899 -18.9898 -8.2108 -8.1956 -7.9208 -7.9190 -7.4616 -7.4553 -2.7671 -2.7601 -2.5310 -2.5250 -2.4599 -2.4468 3.3735 3.3755 4.5389 4.5463 4.6230 4.6337 5.1431 5.1557 5.2241 5.2304 5.7201 5.7243 7.3753 7.3765 7.5445 7.5450 7.7407 7.7412 12.2377 12.2496 12.9582 12.9667 13.1788 13.2048 16.3928 16.4107 k = 0.5015 0.2387 0.2379 ( 2450 PWs) bands (ev): -46.2366 -46.2366 -23.9263 -23.9233 -21.9123 -21.9093 -21.8442 -21.8422 -18.9893 -18.9892 -8.1769 -8.1610 -7.8972 -7.8951 -7.4611 -7.4544 -2.7748 -2.7674 -2.5397 -2.5335 -2.4674 -2.4536 3.3731 3.3751 4.5116 4.5193 4.5694 4.5809 5.0889 5.1013 5.1606 5.1673 5.6470 5.6512 7.4116 7.4126 7.5844 7.5850 7.7762 7.7766 12.3101 12.3232 12.9858 12.9930 13.2068 13.2321 16.4999 16.5171 k = 0.5016 0.2476 0.2468 ( 2451 PWs) bands (ev): -46.2364 -46.2364 -23.9280 -23.9249 -21.9136 -21.9107 -21.8479 -21.8458 -18.9886 -18.9885 -8.1428 -8.1261 -7.8733 -7.8709 -7.4604 -7.4533 -2.7828 -2.7749 -2.5485 -2.5422 -2.4755 -2.4611 3.3727 3.3746 4.4842 4.4922 4.5160 4.5280 5.0359 5.0481 5.1004 5.1074 5.5749 5.5790 7.4489 7.4498 7.6232 7.6238 7.8106 7.8108 12.3818 12.3963 13.0145 13.0204 13.2356 13.2603 16.6029 16.6193 k = 0.5016 0.2565 0.2557 ( 2449 PWs) bands (ev): -46.2363 -46.2363 -23.9296 -23.9265 -21.9149 -21.9122 -21.8515 -21.8493 -18.9880 -18.9879 -8.1085 -8.0911 -7.8492 -7.8465 -7.4595 -7.4519 -2.7910 -2.7825 -2.5574 -2.5510 -2.4842 -2.4692 3.3722 3.3740 4.4491 4.4494 4.4781 4.4826 4.9842 4.9964 5.0437 5.0510 5.5040 5.5080 7.4871 7.4879 7.6610 7.6617 7.8437 7.8438 12.4527 12.4686 13.0445 13.0489 13.2651 13.2892 16.7010 16.7166 k = 0.5017 0.2654 0.2646 ( 2451 PWs) bands (ev): -46.2362 -46.2362 -23.9312 -23.9282 -21.9163 -21.9136 -21.8551 -21.8528 -18.9873 -18.9872 -8.0741 -8.0559 -7.8250 -7.8219 -7.4583 -7.4503 -2.7994 -2.7904 -2.5665 -2.5600 -2.4936 -2.4780 3.3715 3.3732 4.3915 4.3971 4.4539 4.4552 4.9339 4.9462 4.9907 4.9982 5.4347 5.4385 7.5259 7.5266 7.6978 7.6986 7.8755 7.8755 12.5226 12.5400 13.0755 13.0783 13.2953 13.3187 16.7932 16.8080 k = 0.5018 0.2743 0.2734 ( 2451 PWs) bands (ev): -46.2360 -46.2360 -23.9328 -23.9298 -21.9176 -21.9151 -21.8586 -21.8562 -18.9866 -18.9866 -8.0399 -8.0209 -7.8007 -7.7972 -7.4568 -7.4484 -2.8079 -2.7984 -2.5755 -2.5690 -2.5035 -2.4873 3.3706 3.3723 4.3304 4.3375 4.4323 4.4353 4.8853 4.8975 4.9416 4.9492 5.3672 5.3709 7.5652 7.5658 7.7336 7.7344 7.9059 7.9060 12.5914 12.6103 13.1076 13.1087 13.3260 13.3487 16.8785 16.8923 k = 0.5018 0.2832 0.2823 ( 2439 PWs) bands (ev): -46.2357 -46.2357 -23.9344 -23.9314 -21.9190 -21.9166 -21.8620 -21.8595 -18.9859 -18.9859 -8.0059 -7.9860 -7.7765 -7.7725 -7.4551 -7.4462 -2.8165 -2.8064 -2.5846 -2.5780 -2.5139 -2.4972 3.3696 3.3711 4.2679 4.2753 4.4133 4.4169 4.8383 4.8505 4.8964 4.9039 5.3020 5.3056 7.6049 7.6054 7.7685 7.7692 7.9350 7.9352 12.6588 12.6792 13.1401 13.1407 13.3571 13.3791 16.9557 16.9686 k = 0.5019 0.2921 0.2912 ( 2440 PWs) bands (ev): -46.2356 -46.2356 -23.9359 -23.9330 -21.9204 -21.9182 -21.8654 -21.8628 -18.9853 -18.9852 -7.9722 -7.9515 -7.7524 -7.7479 -7.4531 -7.4437 -2.8251 -2.8146 -2.5936 -2.5871 -2.5247 -2.5076 3.3683 3.3697 4.2044 4.2118 4.3955 4.3993 4.7934 4.8052 4.8549 4.8622 5.2392 5.2426 7.6448 7.6452 7.8023 7.8030 7.9627 7.9630 12.7246 12.7466 13.1723 13.1748 13.3884 13.4098 17.0239 17.0358 k = 0.5019 0.3010 0.3000 ( 2434 PWs) bands (ev): -46.2354 -46.2354 -23.9374 -23.9345 -21.9218 -21.9197 -21.8686 -21.8660 -18.9846 -18.9846 -7.9391 -7.9174 -7.7284 -7.7233 -7.4508 -7.4410 -2.8339 -2.8229 -2.6025 -2.5960 -2.5360 -2.5185 3.3667 3.3680 4.1404 4.1477 4.3781 4.3820 4.7507 4.7622 4.8170 4.8240 5.1791 5.1824 7.6847 7.6850 7.8351 7.8358 7.9891 7.9895 12.7885 12.8122 13.2054 13.2097 13.4199 13.4406 17.0821 17.0931 k = 0.5020 0.3099 0.3089 ( 2432 PWs) bands (ev): -46.2353 -46.2353 -23.9389 -23.9361 -21.9232 -21.9213 -21.8718 -21.8690 -18.9840 -18.9839 -7.9065 -7.8839 -7.7047 -7.6990 -7.4482 -7.4380 -2.8426 -2.8312 -2.6113 -2.6049 -2.5476 -2.5297 3.3648 3.3659 4.0766 4.0836 4.3607 4.3644 4.7109 4.7218 4.7824 4.7889 5.1218 5.1250 7.7244 7.7246 7.8669 7.8676 8.0142 8.0147 12.8505 12.8758 13.2393 13.2455 13.4514 13.4713 17.1297 17.1399 k = 0.5020 0.3188 0.3178 ( 2434 PWs) bands (ev): -46.2352 -46.2352 -23.9404 -23.9376 -21.9246 -21.9229 -21.8748 -21.8720 -18.9833 -18.9833 -7.8748 -7.8512 -7.6812 -7.6748 -7.4454 -7.4348 -2.8514 -2.8396 -2.6200 -2.6137 -2.5594 -2.5412 3.3626 3.3635 4.0133 4.0199 4.3426 4.3460 4.6745 4.6847 4.7506 4.7567 5.0677 5.0707 7.7638 7.7639 7.8977 7.8984 8.0379 8.0385 12.9102 12.9370 13.2740 13.2821 13.4827 13.5019 17.1667 17.1762 k = 0.5021 0.3277 0.3267 ( 2430 PWs) bands (ev): -46.2350 -46.2350 -23.9418 -23.9391 -21.9260 -21.9244 -21.8777 -21.8748 -18.9827 -18.9826 -7.8440 -7.8195 -7.6581 -7.6510 -7.4422 -7.4313 -2.8600 -2.8479 -2.6285 -2.6223 -2.5713 -2.5530 3.3600 3.3608 3.9509 3.9571 4.3232 4.3263 4.6420 4.6514 4.7215 4.7271 5.0167 5.0196 7.8027 7.8028 7.9275 7.9281 8.0603 8.0610 12.9675 12.9956 13.3096 13.3193 13.5138 13.5322 17.1931 17.2022 k = 0.5022 0.3366 0.3355 ( 2431 PWs) bands (ev): -46.2349 -46.2349 -23.9432 -23.9406 -21.9274 -21.9260 -21.8804 -21.8776 -18.9820 -18.9820 -7.8142 -7.7888 -7.6355 -7.6276 -7.4388 -7.4275 -2.8686 -2.8562 -2.6368 -2.6308 -2.5834 -2.5649 3.3570 3.3576 3.8898 3.8957 4.3021 4.3047 4.6139 4.6224 4.6947 4.6999 4.9690 4.9718 7.8409 7.8410 7.9562 7.9568 8.0814 8.0821 13.0222 13.0514 13.3459 13.3571 13.5444 13.5621 17.2096 17.2187 k = 0.5022 0.3455 0.3444 ( 2434 PWs) bands (ev): -46.2348 -46.2348 -23.9445 -23.9420 -21.9288 -21.9276 -21.8830 -21.8801 -18.9814 -18.9814 -7.7857 -7.7595 -7.6133 -7.6045 -7.4350 -7.4235 -2.8771 -2.8644 -2.6448 -2.6390 -2.5953 -2.5769 3.3536 3.3540 3.8304 3.8358 4.2791 4.2811 4.5903 4.5978 4.6701 4.6749 4.9246 4.9273 7.8782 7.8785 7.9838 7.9844 8.1012 8.1020 13.0742 13.1041 13.3829 13.3953 13.5745 13.5915 17.2173 17.2267 k = 0.5023 0.3544 0.3533 ( 2433 PWs) bands (ev): -46.2347 -46.2347 -23.9457 -23.9433 -21.9301 -21.9291 -21.8855 -21.8826 -18.9809 -18.9808 -7.7585 -7.7315 -7.5916 -7.5821 -7.4309 -7.4193 -2.8854 -2.8726 -2.6525 -2.6469 -2.6072 -2.5888 3.3497 3.3500 3.7729 3.7780 4.2542 4.2556 4.5712 4.5776 4.6475 4.6519 4.8836 4.8862 7.9145 7.9149 8.0102 8.0109 8.1197 8.1207 13.1233 13.1536 13.4204 13.4337 13.6039 13.6202 17.2174 17.2277 k = 0.5023 0.3633 0.3622 ( 2435 PWs) bands (ev): -46.2347 -46.2347 -23.9469 -23.9446 -21.9315 -21.9306 -21.8878 -21.8849 -18.9803 -18.9803 -7.7327 -7.7052 -7.5705 -7.5602 -7.4265 -7.4149 -2.8935 -2.8806 -2.6599 -2.6546 -2.6188 -2.6006 3.3455 3.3456 3.7177 3.7224 4.2279 4.2287 4.5561 4.5615 4.6268 4.6308 4.8460 4.8485 7.9496 7.9502 8.0356 8.0362 8.1370 8.1380 13.1694 13.1997 13.4584 13.4720 13.6326 13.6481 17.2111 17.2228 k = 0.5024 0.3722 0.3710 ( 2436 PWs) bands (ev): -46.2346 -46.2346 -23.9481 -23.9459 -21.9328 -21.9321 -21.8899 -21.8871 -18.9797 -18.9797 -7.7085 -7.6807 -7.5501 -7.5390 -7.4217 -7.4103 -2.9013 -2.8884 -2.6669 -2.6619 -2.6300 -2.6122 3.3407 3.3408 3.6650 3.6692 4.2006 4.2009 4.5444 4.5488 4.6078 4.6114 4.8118 4.8141 7.9834 7.9841 8.0597 8.0603 8.1531 8.1542 13.2127 13.2423 13.4964 13.5101 13.6604 13.6751 17.1998 17.2133 k = 0.5024 0.3811 0.3799 ( 2440 PWs) bands (ev): -46.2346 -46.2346 -23.9492 -23.9471 -21.9342 -21.9336 -21.8918 -21.8891 -18.9792 -18.9792 -7.6860 -7.6581 -7.5304 -7.5186 -7.4166 -7.4055 -2.9088 -2.8961 -2.6736 -2.6689 -2.6409 -2.6235 3.3355 3.3357 3.6149 3.6189 4.1730 4.1730 4.5354 4.5390 4.5904 4.5937 4.7808 4.7831 8.0156 8.0166 8.0825 8.0831 8.1679 8.1692 13.2528 13.2815 13.5342 13.5474 13.6871 13.7011 17.1845 17.2003 k = 0.5025 0.3900 0.3888 ( 2438 PWs) bands (ev): -46.2345 -46.2344 -23.9501 -23.9482 -21.9354 -21.9349 -21.8936 -21.8909 -18.9787 -18.9787 -7.6651 -7.6376 -7.5115 -7.4991 -7.4111 -7.4007 -2.9160 -2.9035 -2.6798 -2.6755 -2.6512 -2.6344 3.3300 3.3304 3.5678 3.5714 4.1455 4.1458 4.5284 4.5313 4.5746 4.5775 4.7533 4.7555 8.0462 8.0473 8.1041 8.1047 8.1817 8.1830 13.2901 13.3174 13.5712 13.5836 13.7129 13.7261 17.1666 17.1850 k = 0.5026 0.3989 0.3976 ( 2438 PWs) bands (ev): -46.2344 -46.2344 -23.9511 -23.9493 -21.9366 -21.9363 -21.8952 -21.8927 -18.9783 -18.9783 -7.6460 -7.6192 -7.4935 -7.4807 -7.4054 -7.3957 -2.9227 -2.9106 -2.6857 -2.6817 -2.6608 -2.6448 3.3243 3.3248 3.5238 3.5270 4.1190 4.1195 4.5228 4.5250 4.5602 4.5629 4.7291 4.7312 8.0749 8.0762 8.1242 8.1249 8.1943 8.1957 13.3244 13.3500 13.6069 13.6184 13.7375 13.7498 17.1471 17.1680 k = 0.5026 0.4078 0.4065 ( 2442 PWs) bands (ev): -46.2344 -46.2344 -23.9519 -23.9503 -21.9378 -21.9375 -21.8967 -21.8943 -18.9778 -18.9778 -7.6286 -7.6029 -7.4766 -7.4634 -7.3993 -7.3907 -2.9291 -2.9175 -2.6910 -2.6875 -2.6699 -2.6548 3.3184 3.3190 3.4831 3.4860 4.0940 4.0946 4.5180 4.5198 4.5473 4.5496 4.7081 4.7101 8.1015 8.1031 8.1430 8.1438 8.2058 8.2073 13.3559 13.3795 13.6409 13.6512 13.7609 13.7724 17.1269 17.1501 k = 0.5027 0.4167 0.4154 ( 2440 PWs) bands (ev): -46.2343 -46.2343 -23.9527 -23.9512 -21.9389 -21.9387 -21.8980 -21.8957 -18.9774 -18.9774 -7.6130 -7.5887 -7.4607 -7.4474 -7.3931 -7.3858 -2.9349 -2.9239 -2.6959 -2.6928 -2.6781 -2.6641 3.3125 3.3131 3.4457 3.4483 4.0708 4.0714 4.5136 4.5150 4.5357 4.5378 4.6904 4.6923 8.1260 8.1279 8.1604 8.1612 8.2162 8.2179 13.3845 13.4060 13.6727 13.6817 13.7830 13.7937 17.1070 17.1319 k = 0.5027 0.4256 0.4243 ( 2444 PWs) bands (ev): -46.2343 -46.2343 -23.9534 -23.9520 -21.9399 -21.9397 -21.8991 -21.8970 -18.9771 -18.9771 -7.5991 -7.5766 -7.4462 -7.4329 -7.3868 -7.3809 -2.9401 -2.9299 -2.7004 -2.6977 -2.6856 -2.6728 3.3067 3.3073 3.4119 3.4142 4.0497 4.0503 4.5094 4.5105 4.5254 4.5273 4.6757 4.6775 8.1480 8.1502 8.1762 8.1771 8.2257 8.2275 13.4102 13.4296 13.7017 13.7095 13.8038 13.8136 17.0880 17.1139 k = 0.5028 0.4345 0.4331 ( 2450 PWs) bands (ev): -46.2343 -46.2343 -23.9540 -23.9528 -21.9408 -21.9407 -21.9001 -21.8982 -18.9768 -18.9768 -7.5869 -7.5665 -7.4330 -7.4201 -7.3806 -7.3761 -2.9448 -2.9355 -2.7043 -2.7021 -2.6921 -2.6807 3.3011 3.3017 3.3817 3.3837 4.0308 4.0314 4.5052 4.5060 4.5165 4.5181 4.6640 4.6656 8.1675 8.1699 8.1906 8.1916 8.2342 8.2360 13.4332 13.4503 13.7277 13.7343 13.8232 13.8320 17.0706 17.0964 k = 0.5028 0.4434 0.4420 ( 2456 PWs) bands (ev): -46.2343 -46.2343 -23.9545 -23.9535 -21.9416 -21.9416 -21.9009 -21.8992 -18.9765 -18.9765 -7.5763 -7.5582 -7.4214 -7.4090 -7.3746 -7.3715 -2.9489 -2.9406 -2.7077 -2.7060 -2.6978 -2.6878 3.2958 3.2964 3.3553 3.3570 4.0143 4.0148 4.5009 4.5016 4.5088 4.5103 4.6548 4.6562 8.1842 8.1868 8.2035 8.2045 8.2418 8.2437 13.4534 13.4682 13.7504 13.7558 13.8410 13.8488 17.0552 17.0800 k = 0.5029 0.4523 0.4509 ( 2451 PWs) bands (ev): -46.2342 -46.2342 -23.9550 -23.9541 -21.9423 -21.9423 -21.9015 -21.9001 -18.9763 -18.9763 -7.5672 -7.5516 -7.4113 -7.3998 -7.3689 -7.3670 -2.9523 -2.9451 -2.7106 -2.7094 -2.7025 -2.6941 3.2911 3.2917 3.3327 3.3341 4.0002 4.0006 4.4967 4.4973 4.5025 4.5038 4.6479 4.6491 8.1982 8.2007 8.2149 8.2159 8.2485 8.2504 13.4707 13.4833 13.7697 13.7740 13.8571 13.8637 17.0421 17.0650 k = 0.5029 0.4612 0.4597 ( 2449 PWs) bands (ev): -46.2341 -46.2341 -23.9553 -23.9546 -21.9429 -21.9429 -21.9021 -21.9009 -18.9760 -18.9760 -7.5596 -7.5467 -7.4028 -7.3927 -7.3639 -7.3629 -2.9550 -2.9490 -2.7130 -2.7122 -2.7063 -2.6995 3.2870 3.2875 3.3140 3.3151 3.9885 3.9889 4.4928 4.4933 4.4974 4.4985 4.6428 4.6438 8.2093 8.2116 8.2247 8.2255 8.2544 8.2562 13.4853 13.4956 13.7855 13.7889 13.8710 13.8765 17.0317 17.0517 k = 0.5030 0.4701 0.4686 ( 2447 PWs) bands (ev): -46.2341 -46.2341 -23.9556 -23.9550 -21.9434 -21.9434 -21.9024 -21.9015 -18.9759 -18.9759 -7.5533 -7.5432 -7.3959 -7.3876 -7.3597 -7.3593 -2.9570 -2.9522 -2.7149 -2.7145 -2.7091 -2.7039 3.2837 3.2841 3.2992 3.3001 3.9794 3.9797 4.4895 4.4898 4.4936 4.4944 4.6392 4.6400 8.2178 8.2197 8.2326 8.2331 8.2594 8.2610 13.4970 13.5050 13.7978 13.8003 13.8825 13.8868 17.0240 17.0405 k = 0.5031 0.4790 0.4775 ( 2443 PWs) bands (ev): -46.2340 -46.2340 -23.9557 -23.9553 -21.9438 -21.9438 -21.9027 -21.9020 -18.9758 -18.9758 -7.5485 -7.5412 -7.3906 -7.3844 -7.3564 -7.3563 -2.9583 -2.9548 -2.7162 -2.7161 -2.7110 -2.7074 3.2813 3.2815 3.2885 3.2891 3.9727 3.9729 4.4869 4.4871 4.4909 4.4914 4.6368 4.6373 8.2239 8.2253 8.2384 8.2387 8.2634 8.2647 13.5059 13.5116 13.8068 13.8085 13.8914 13.8945 17.0192 17.0315 k = 0.5031 0.4879 0.4864 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9555 -21.9440 -21.9440 -21.9027 -21.9023 -18.9757 -18.9757 -7.5449 -7.5405 -7.3868 -7.3830 -7.3543 -7.3543 -2.9588 -2.9567 -2.7170 -2.7170 -2.7120 -2.7098 3.2798 3.2799 3.2819 3.2822 3.9686 3.9687 4.4853 4.4854 4.4893 4.4895 4.6353 4.6356 8.2277 8.2285 8.2421 8.2422 8.2662 8.2670 13.5119 13.5153 13.8126 13.8134 13.8972 13.8991 17.0173 17.0249 k = 0.5032 0.4968 0.4952 ( 2440 PWs) bands (ev): -46.2340 -46.2340 -23.9558 -23.9557 -21.9441 -21.9441 -21.9027 -21.9026 -18.9757 -18.9757 -7.5426 -7.5410 -7.3845 -7.3832 -7.3534 -7.3534 -2.9586 -2.9579 -2.7174 -2.7174 -2.7120 -2.7112 3.2791 3.2791 3.2794 3.2795 3.9669 3.9669 4.4846 4.4847 4.4888 4.4888 4.6346 4.6347 8.2293 8.2296 8.2435 8.2435 8.2676 8.2679 13.5149 13.5162 13.8151 13.8151 13.9000 13.9007 17.0182 17.0209 Writing output data file KNbO3.save init_run : 4.05s CPU 12.18s WALL ( 1 calls) electrons : 575.99s CPU 582.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 575.97s CPU 581.95s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.85s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.08s CPU 0.52s WALL ( 1 calls) newd : 0.32s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 327 calls) cegterg : 549.25s CPU 552.85s WALL ( 1005 calls) Called by sum_band: Called by *egterg: h_psi : 177.94s CPU 188.06s WALL ( 18821 calls) s_psi : 19.65s CPU 20.08s WALL ( 18821 calls) g_psi : 0.33s CPU 0.40s WALL ( 17489 calls) cdiaghg : 271.53s CPU 266.83s WALL ( 17816 calls) cegterg:over : 43.03s CPU 40.83s WALL ( 17489 calls) cegterg:upda : 4.20s CPU 7.41s WALL ( 17489 calls) cegterg:last : 4.36s CPU 5.17s WALL ( 2174 calls) Called by h_psi: h_psi:vloc : 137.51s CPU 146.17s WALL ( 18821 calls) h_psi:vnl : 40.32s CPU 41.42s WALL ( 18821 calls) add_vuspsi : 12.09s CPU 15.16s WALL ( 18821 calls) General routines calbec : 28.16s CPU 26.11s WALL ( 18821 calls) fft : 0.20s CPU 1.59s WALL ( 19 calls) ffts : 0.02s CPU 0.06s WALL ( 4 calls) fftw : 132.46s CPU 139.37s WALL ( 1250144 calls) interpolate : 0.09s CPU 0.15s WALL ( 4 calls) davcio : 0.04s CPU 0.87s WALL ( 654 calls) Parallel routines fft_scatter : 93.83s CPU 99.60s WALL ( 1250167 calls) PWSCF : 10m20.52s CPU 11m35.16s WALL This run was terminated on: 0:13:47 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=