Program PWSCF v.5.1.1 starts on 11Oct2015 at 16: 2:45 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: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D 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 54 19 6 2104 451 76 Max 55 20 7 2109 470 80 Sum 2617 949 293 101085 21999 3743 bravais-lattice index = 14 lattice parameter (alat) = 7.5670 a.u. unit-cell volume = 433.2835 (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 = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.567030 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002531 celldm(5)= 0.002531 celldm(6)= 0.002531 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002531 0.999997 0.000000 ) a(3) = ( 0.002531 0.002524 0.999994 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002531 -0.002524 ) b(2) = ( 0.000000 1.000003 -0.002524 ) b(3) = ( 0.000000 0.000000 1.000006 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 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= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 -0.0000316 -0.0000316), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000633 -0.0000631), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0000949 -0.0000947), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001265 -0.0001262), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001582 -0.0001578), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0001898 -0.0001893), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002214 -0.0002209), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002531 -0.0002524), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0002847 -0.0002840), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003163 -0.0003155), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003480 -0.0003471), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0003796 -0.0003787), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004112 -0.0004102), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004429 -0.0004418), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0004745 -0.0004733), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005061 -0.0005049), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005378 -0.0005364), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0005694 -0.0005680), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006010 -0.0005995), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0006327 -0.0006311), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0006643 -0.0006626), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0006960 -0.0006942), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0007276 -0.0007258), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0007592 -0.0007573), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0007909 -0.0007889), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0008225 -0.0008204), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0008541 -0.0008520), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0008858 -0.0008835), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0009174 -0.0009151), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0009490 -0.0009466), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0009807 -0.0009782), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0010123 -0.0010097), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0010439 -0.0010413), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0010756 -0.0010728), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0011072 -0.0011044), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0011388 -0.0011360), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0011705 -0.0011675), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0012021 -0.0011991), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0012337 -0.0012306), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0012654 -0.0012622), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0012654 -0.0012622), wk = 0.0030488 k( 43) = ( 0.5000000 0.0076183 -0.0101683), wk = 0.0030488 k( 44) = ( 0.5000000 0.0165019 -0.0190744), wk = 0.0030488 k( 45) = ( 0.5000000 0.0253855 -0.0279804), wk = 0.0030488 k( 46) = ( 0.5000000 0.0342692 -0.0368865), wk = 0.0030488 k( 47) = ( 0.5000000 0.0431528 -0.0457926), wk = 0.0030488 k( 48) = ( 0.5000000 0.0520364 -0.0546987), wk = 0.0030488 k( 49) = ( 0.5000000 0.0609201 -0.0636048), wk = 0.0030488 k( 50) = ( 0.5000000 0.0698037 -0.0725109), wk = 0.0030488 k( 51) = ( 0.5000000 0.0786874 -0.0814170), wk = 0.0030488 k( 52) = ( 0.5000000 0.0875710 -0.0903231), wk = 0.0030488 k( 53) = ( 0.5000000 0.0964546 -0.0992292), wk = 0.0030488 k( 54) = ( 0.5000000 0.1053383 -0.1081353), wk = 0.0030488 k( 55) = ( 0.5000000 0.1142219 -0.1170413), wk = 0.0030488 k( 56) = ( 0.5000000 0.1231055 -0.1259474), wk = 0.0030488 k( 57) = ( 0.5000000 0.1319892 -0.1348535), wk = 0.0030488 k( 58) = ( 0.5000000 0.1408728 -0.1437596), wk = 0.0030488 k( 59) = ( 0.5000000 0.1497564 -0.1526657), wk = 0.0030488 k( 60) = ( 0.5000000 0.1586401 -0.1615718), wk = 0.0030488 k( 61) = ( 0.5000000 0.1675237 -0.1704779), wk = 0.0030488 k( 62) = ( 0.5000000 0.1764074 -0.1793840), wk = 0.0030488 k( 63) = ( 0.5000000 0.1852910 -0.1882901), wk = 0.0030488 k( 64) = ( 0.5000000 0.1941746 -0.1971961), wk = 0.0030488 k( 65) = ( 0.5000000 0.2030583 -0.2061022), wk = 0.0030488 k( 66) = ( 0.5000000 0.2119419 -0.2150083), wk = 0.0030488 k( 67) = ( 0.5000000 0.2208255 -0.2239144), wk = 0.0030488 k( 68) = ( 0.5000000 0.2297092 -0.2328205), wk = 0.0030488 k( 69) = ( 0.5000000 0.2385928 -0.2417266), wk = 0.0030488 k( 70) = ( 0.5000000 0.2474764 -0.2506327), wk = 0.0030488 k( 71) = ( 0.5000000 0.2563601 -0.2595388), wk = 0.0030488 k( 72) = ( 0.5000000 0.2652437 -0.2684449), wk = 0.0030488 k( 73) = ( 0.5000000 0.2741273 -0.2773510), wk = 0.0030488 k( 74) = ( 0.5000000 0.2830110 -0.2862570), wk = 0.0030488 k( 75) = ( 0.5000000 0.2918946 -0.2951631), wk = 0.0030488 k( 76) = ( 0.5000000 0.3007783 -0.3040692), wk = 0.0030488 k( 77) = ( 0.5000000 0.3096619 -0.3129753), wk = 0.0030488 k( 78) = ( 0.5000000 0.3185455 -0.3218814), wk = 0.0030488 k( 79) = ( 0.5000000 0.3274292 -0.3307875), wk = 0.0030488 k( 80) = ( 0.5000000 0.3363128 -0.3396936), wk = 0.0030488 k( 81) = ( 0.5000000 0.3451964 -0.3485997), wk = 0.0030488 k( 82) = ( 0.5000000 0.3540801 -0.3575058), wk = 0.0030488 k( 83) = ( 0.5000000 0.3629637 -0.3664119), wk = 0.0030488 k( 84) = ( 0.5000000 0.3718473 -0.3753179), wk = 0.0030488 k( 85) = ( 0.5000000 0.3807310 -0.3842240), wk = 0.0030488 k( 86) = ( 0.5000000 0.3896146 -0.3931301), wk = 0.0030488 k( 87) = ( 0.5000000 0.3984983 -0.4020362), wk = 0.0030488 k( 88) = ( 0.5000000 0.4073819 -0.4109423), wk = 0.0030488 k( 89) = ( 0.5000000 0.4162655 -0.4198484), wk = 0.0030488 k( 90) = ( 0.5000000 0.4251492 -0.4287545), wk = 0.0030488 k( 91) = ( 0.5000000 0.4340328 -0.4376606), wk = 0.0030488 k( 92) = ( 0.5000000 0.4429164 -0.4465667), wk = 0.0030488 k( 93) = ( 0.5000000 0.4518001 -0.4554727), wk = 0.0030488 k( 94) = ( 0.5000000 0.4606837 -0.4643788), wk = 0.0030488 k( 95) = ( 0.5000000 0.4695673 -0.4732849), wk = 0.0030488 k( 96) = ( 0.5000000 0.4784510 -0.4821910), wk = 0.0030488 k( 97) = ( 0.5000000 0.4873346 -0.4910971), wk = 0.0030488 k( 98) = ( 0.5000000 0.4962182 -0.5000032), wk = 0.0030488 k( 99) = ( 0.5025180 0.4987299 0.4949545), wk = 0.0030488 k( 100) = ( 0.5000000 0.4987362 0.4974788), wk = 0.0030488 k( 101) = ( 0.5000000 0.4987362 0.4974788), wk = 0.0030488 k( 102) = ( 0.4926471 0.4914019 0.4901630), wk = 0.0030488 k( 103) = ( 0.4852941 0.4840675 0.4828471), wk = 0.0030488 k( 104) = ( 0.4779412 0.4767332 0.4755312), wk = 0.0030488 k( 105) = ( 0.4705882 0.4693988 0.4682154), wk = 0.0030488 k( 106) = ( 0.4632353 0.4620644 0.4608995), wk = 0.0030488 k( 107) = ( 0.4558823 0.4547301 0.4535836), wk = 0.0030488 k( 108) = ( 0.4485294 0.4473957 0.4462678), wk = 0.0030488 k( 109) = ( 0.4411765 0.4400614 0.4389519), wk = 0.0030488 k( 110) = ( 0.4338235 0.4327270 0.4316361), wk = 0.0030488 k( 111) = ( 0.4264706 0.4253927 0.4243202), wk = 0.0030488 k( 112) = ( 0.4191177 0.4180583 0.4170043), wk = 0.0030488 k( 113) = ( 0.4117647 0.4107240 0.4096885), wk = 0.0030488 k( 114) = ( 0.4044118 0.4033896 0.4023726), wk = 0.0030488 k( 115) = ( 0.3970588 0.3960552 0.3950567), wk = 0.0030488 k( 116) = ( 0.3897059 0.3887209 0.3877409), wk = 0.0030488 k( 117) = ( 0.3823529 0.3813865 0.3804250), wk = 0.0030488 k( 118) = ( 0.3750000 0.3740522 0.3731091), wk = 0.0030488 k( 119) = ( 0.3676471 0.3667178 0.3657933), wk = 0.0030488 k( 120) = ( 0.3602941 0.3593835 0.3584774), wk = 0.0030488 k( 121) = ( 0.3529412 0.3520491 0.3511615), wk = 0.0030488 k( 122) = ( 0.3455882 0.3447148 0.3438457), wk = 0.0030488 k( 123) = ( 0.3382353 0.3373804 0.3365298), wk = 0.0030488 k( 124) = ( 0.3308823 0.3300460 0.3292139), wk = 0.0030488 k( 125) = ( 0.3235294 0.3227117 0.3218981), wk = 0.0030488 k( 126) = ( 0.3161765 0.3153773 0.3145822), wk = 0.0030488 k( 127) = ( 0.3088235 0.3080430 0.3072663), wk = 0.0030488 k( 128) = ( 0.3014706 0.3007086 0.2999505), wk = 0.0030488 k( 129) = ( 0.2941177 0.2933743 0.2926346), wk = 0.0030488 k( 130) = ( 0.2867647 0.2860399 0.2853188), wk = 0.0030488 k( 131) = ( 0.2794118 0.2787055 0.2780029), wk = 0.0030488 k( 132) = ( 0.2720588 0.2713712 0.2706870), wk = 0.0030488 k( 133) = ( 0.2647059 0.2640368 0.2633711), wk = 0.0030488 k( 134) = ( 0.2573529 0.2567025 0.2560553), wk = 0.0030488 k( 135) = ( 0.2500000 0.2493681 0.2487394), wk = 0.0030488 k( 136) = ( 0.2426471 0.2420338 0.2414236), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346994 0.2341077), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273651 0.2267918), wk = 0.0030488 k( 139) = ( 0.2205882 0.2200307 0.2194760), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126963 0.2121601), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053620 0.2048442), wk = 0.0030488 k( 142) = ( 0.1985294 0.1980276 0.1975284), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906933 0.1902125), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833589 0.1828966), wk = 0.0030488 k( 145) = ( 0.1764706 0.1760246 0.1755808), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686902 0.1682649), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613558 0.1609490), wk = 0.0030488 k( 148) = ( 0.1544118 0.1540215 0.1536332), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466871 0.1463173), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393528 0.1390014), wk = 0.0030488 k( 151) = ( 0.1323529 0.1320184 0.1316856), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246841 0.1243697), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173497 0.1170538), wk = 0.0030488 k( 154) = ( 0.1102941 0.1100153 0.1097380), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026810 0.1024221), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953466 0.0951063), wk = 0.0030488 k( 157) = ( 0.0882353 0.0880123 0.0877904), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806779 0.0804745), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733436 0.0731587), wk = 0.0030488 k( 160) = ( 0.0661765 0.0660092 0.0658428), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586749 0.0585269), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513405 0.0512111), wk = 0.0030488 k( 163) = ( 0.0441177 0.0440061 0.0438952), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366718 0.0365793), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293374 0.0292635), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220031 0.0219476), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146687 0.0146317), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073344 0.0073159), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089061 -0.0000225 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178122 -0.0000451 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267183 -0.0000676 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356244 -0.0000902 -0.0357145), wk = 0.0030488 k( 175) = ( 0.0445304 -0.0001127 -0.0446431), wk = 0.0030488 k( 176) = ( 0.0534365 -0.0001352 -0.0535718), wk = 0.0030488 k( 177) = ( 0.0623426 -0.0001578 -0.0625004), wk = 0.0030488 k( 178) = ( 0.0712487 -0.0001803 -0.0714290), wk = 0.0030488 k( 179) = ( 0.0801548 -0.0002029 -0.0803577), wk = 0.0030488 k( 180) = ( 0.0890609 -0.0002254 -0.0892863), wk = 0.0030488 k( 181) = ( 0.0979670 -0.0002479 -0.0982149), wk = 0.0030488 k( 182) = ( 0.1068731 -0.0002705 -0.1071435), wk = 0.0030488 k( 183) = ( 0.1157792 -0.0002930 -0.1160722), wk = 0.0030488 k( 184) = ( 0.1246852 -0.0003155 -0.1250008), wk = 0.0030488 k( 185) = ( 0.1335913 -0.0003381 -0.1339294), wk = 0.0030488 k( 186) = ( 0.1424974 -0.0003606 -0.1428581), wk = 0.0030488 k( 187) = ( 0.1514035 -0.0003832 -0.1517867), wk = 0.0030488 k( 188) = ( 0.1603096 -0.0004057 -0.1607153), wk = 0.0030488 k( 189) = ( 0.1692157 -0.0004282 -0.1696439), wk = 0.0030488 k( 190) = ( 0.1781218 -0.0004508 -0.1785726), wk = 0.0030488 k( 191) = ( 0.1870279 -0.0004733 -0.1875012), wk = 0.0030488 k( 192) = ( 0.1959340 -0.0004959 -0.1964298), wk = 0.0030488 k( 193) = ( 0.2048401 -0.0005184 -0.2053585), wk = 0.0030488 k( 194) = ( 0.2137461 -0.0005409 -0.2142871), wk = 0.0030488 k( 195) = ( 0.2226522 -0.0005635 -0.2232157), wk = 0.0030488 k( 196) = ( 0.2315583 -0.0005860 -0.2321443), wk = 0.0030488 k( 197) = ( 0.2404644 -0.0006086 -0.2410730), wk = 0.0030488 k( 198) = ( 0.2493705 -0.0006311 -0.2500016), wk = 0.0030488 k( 199) = ( 0.2582766 -0.0006536 -0.2589302), wk = 0.0030488 k( 200) = ( 0.2671827 -0.0006762 -0.2678589), wk = 0.0030488 k( 201) = ( 0.2760888 -0.0006987 -0.2767875), wk = 0.0030488 k( 202) = ( 0.2849949 -0.0007212 -0.2857161), wk = 0.0030488 k( 203) = ( 0.2939009 -0.0007438 -0.2946447), wk = 0.0030488 k( 204) = ( 0.3028070 -0.0007663 -0.3035734), wk = 0.0030488 k( 205) = ( 0.3117131 -0.0007889 -0.3125020), wk = 0.0030488 k( 206) = ( 0.3206192 -0.0008114 -0.3214306), wk = 0.0030488 k( 207) = ( 0.3295253 -0.0008339 -0.3303593), wk = 0.0030488 k( 208) = ( 0.3384314 -0.0008565 -0.3392879), wk = 0.0030488 k( 209) = ( 0.3473375 -0.0008790 -0.3482165), wk = 0.0030488 k( 210) = ( 0.3562436 -0.0009016 -0.3571451), wk = 0.0030488 k( 211) = ( 0.3651497 -0.0009241 -0.3660738), wk = 0.0030488 k( 212) = ( 0.3740558 -0.0009466 -0.3750024), wk = 0.0030488 k( 213) = ( 0.3829618 -0.0009692 -0.3839310), wk = 0.0030488 k( 214) = ( 0.3918679 -0.0009917 -0.3928597), wk = 0.0030488 k( 215) = ( 0.4007740 -0.0010143 -0.4017883), wk = 0.0030488 k( 216) = ( 0.4096801 -0.0010368 -0.4107169), wk = 0.0030488 k( 217) = ( 0.4185862 -0.0010593 -0.4196455), wk = 0.0030488 k( 218) = ( 0.4274923 -0.0010819 -0.4285742), wk = 0.0030488 k( 219) = ( 0.4363984 -0.0011044 -0.4375028), wk = 0.0030488 k( 220) = ( 0.4453045 -0.0011269 -0.4464314), wk = 0.0030488 k( 221) = ( 0.4542106 -0.0011495 -0.4553600), wk = 0.0030488 k( 222) = ( 0.4631167 -0.0011720 -0.4642887), wk = 0.0030488 k( 223) = ( 0.4720227 -0.0011946 -0.4732173), wk = 0.0030488 k( 224) = ( 0.4809288 -0.0012171 -0.4821459), wk = 0.0030488 k( 225) = ( 0.4898349 -0.0012396 -0.4910746), wk = 0.0030488 k( 226) = ( 0.4987410 -0.0012622 -0.5000032), wk = 0.0030488 k( 227) = ( 0.5012590 0.4974741 -0.0025244), wk = 0.0030488 k( 228) = ( 0.5000000 0.4987362 -0.0025244), wk = 0.0030488 k( 229) = ( 0.5000000 0.4987362 -0.0025244), wk = 0.0030488 k( 230) = ( 0.5000315 0.4987676 0.0099126), wk = 0.0030488 k( 231) = ( 0.5000630 0.4987990 0.0223496), wk = 0.0030488 k( 232) = ( 0.5000944 0.4988304 0.0347866), wk = 0.0030488 k( 233) = ( 0.5001259 0.4988618 0.0472235), wk = 0.0030488 k( 234) = ( 0.5001574 0.4988932 0.0596605), wk = 0.0030488 k( 235) = ( 0.5001889 0.4989246 0.0720975), wk = 0.0030488 k( 236) = ( 0.5002203 0.4989560 0.0845344), wk = 0.0030488 k( 237) = ( 0.5002518 0.4989874 0.0969714), wk = 0.0030488 k( 238) = ( 0.5002833 0.4990188 0.1094084), wk = 0.0030488 k( 239) = ( 0.5003148 0.4990502 0.1218454), wk = 0.0030488 k( 240) = ( 0.5003462 0.4990816 0.1342823), wk = 0.0030488 k( 241) = ( 0.5003777 0.4991130 0.1467193), wk = 0.0030488 k( 242) = ( 0.5004092 0.4991444 0.1591563), wk = 0.0030488 k( 243) = ( 0.5004407 0.4991758 0.1715932), wk = 0.0030488 k( 244) = ( 0.5004721 0.4992072 0.1840302), wk = 0.0030488 k( 245) = ( 0.5005036 0.4992386 0.1964672), wk = 0.0030488 k( 246) = ( 0.5005351 0.4992700 0.2089042), wk = 0.0030488 k( 247) = ( 0.5005666 0.4993014 0.2213411), wk = 0.0030488 k( 248) = ( 0.5005980 0.4993327 0.2337781), wk = 0.0030488 k( 249) = ( 0.5006295 0.4993641 0.2462151), wk = 0.0030488 k( 250) = ( 0.5006610 0.4993955 0.2586520), wk = 0.0030488 k( 251) = ( 0.5006924 0.4994269 0.2710890), wk = 0.0030488 k( 252) = ( 0.5007239 0.4994583 0.2835260), wk = 0.0030488 k( 253) = ( 0.5007554 0.4994897 0.2959630), wk = 0.0030488 k( 254) = ( 0.5007869 0.4995211 0.3083999), wk = 0.0030488 k( 255) = ( 0.5008183 0.4995525 0.3208369), wk = 0.0030488 k( 256) = ( 0.5008498 0.4995839 0.3332739), wk = 0.0030488 k( 257) = ( 0.5008813 0.4996153 0.3457108), wk = 0.0030488 k( 258) = ( 0.5009128 0.4996467 0.3581478), wk = 0.0030488 k( 259) = ( 0.5009442 0.4996781 0.3705848), wk = 0.0030488 k( 260) = ( 0.5009757 0.4997095 0.3830218), wk = 0.0030488 k( 261) = ( 0.5010072 0.4997409 0.3954587), wk = 0.0030488 k( 262) = ( 0.5010387 0.4997723 0.4078957), wk = 0.0030488 k( 263) = ( 0.5010701 0.4998037 0.4203327), wk = 0.0030488 k( 264) = ( 0.5011016 0.4998351 0.4327696), wk = 0.0030488 k( 265) = ( 0.5011331 0.4998665 0.4452066), wk = 0.0030488 k( 266) = ( 0.5011646 0.4998979 0.4576436), wk = 0.0030488 k( 267) = ( 0.5011960 0.4999293 0.4700805), wk = 0.0030488 k( 268) = ( 0.5012275 0.4999607 0.4825175), wk = 0.0030488 k( 269) = ( 0.5012590 0.4999920 0.4949545), wk = 0.0030488 k( 270) = ( 0.5012590 0.4999920 0.4949545), wk = 0.0030488 k( 271) = ( 0.5000000 0.4987362 0.4974788), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0012654 -0.0012622), wk = 0.0030488 k( 273) = ( 0.5000450 0.0076406 0.0076214), wk = 0.0030488 k( 274) = ( 0.5000899 0.0165466 0.0165049), wk = 0.0030488 k( 275) = ( 0.5001349 0.0254526 0.0253885), wk = 0.0030488 k( 276) = ( 0.5001799 0.0343587 0.0342720), wk = 0.0030488 k( 277) = ( 0.5002248 0.0432647 0.0431556), wk = 0.0030488 k( 278) = ( 0.5002698 0.0521707 0.0520391), wk = 0.0030488 k( 279) = ( 0.5003148 0.0610767 0.0609227), wk = 0.0030488 k( 280) = ( 0.5003597 0.0699827 0.0698062), wk = 0.0030488 k( 281) = ( 0.5004047 0.0788887 0.0786898), wk = 0.0030488 k( 282) = ( 0.5004496 0.0877947 0.0875733), wk = 0.0030488 k( 283) = ( 0.5004946 0.0967007 0.0964569), wk = 0.0030488 k( 284) = ( 0.5005396 0.1056067 0.1053404), wk = 0.0030488 k( 285) = ( 0.5005845 0.1145127 0.1142240), wk = 0.0030488 k( 286) = ( 0.5006295 0.1234187 0.1231075), wk = 0.0030488 k( 287) = ( 0.5006745 0.1323247 0.1319911), wk = 0.0030488 k( 288) = ( 0.5007194 0.1412307 0.1408746), wk = 0.0030488 k( 289) = ( 0.5007644 0.1501367 0.1497582), wk = 0.0030488 k( 290) = ( 0.5008094 0.1590427 0.1586417), wk = 0.0030488 k( 291) = ( 0.5008543 0.1679487 0.1675253), wk = 0.0030488 k( 292) = ( 0.5008993 0.1768547 0.1764088), wk = 0.0030488 k( 293) = ( 0.5009442 0.1857607 0.1852924), wk = 0.0030488 k( 294) = ( 0.5009892 0.1946667 0.1941759), wk = 0.0030488 k( 295) = ( 0.5010342 0.2035727 0.2030595), wk = 0.0030488 k( 296) = ( 0.5010791 0.2124787 0.2119430), wk = 0.0030488 k( 297) = ( 0.5011241 0.2213847 0.2208266), wk = 0.0030488 k( 298) = ( 0.5011691 0.2302907 0.2297101), wk = 0.0030488 k( 299) = ( 0.5012140 0.2391968 0.2385937), wk = 0.0030488 k( 300) = ( 0.5012590 0.2481027 0.2474772), wk = 0.0030488 k( 301) = ( 0.5013040 0.2570088 0.2563608), wk = 0.0030488 k( 302) = ( 0.5013489 0.2659148 0.2652443), wk = 0.0030488 k( 303) = ( 0.5013939 0.2748208 0.2741279), wk = 0.0030488 k( 304) = ( 0.5014388 0.2837268 0.2830114), wk = 0.0030488 k( 305) = ( 0.5014838 0.2926328 0.2918950), wk = 0.0030488 k( 306) = ( 0.5015288 0.3015388 0.3007785), wk = 0.0030488 k( 307) = ( 0.5015737 0.3104448 0.3096621), wk = 0.0030488 k( 308) = ( 0.5016187 0.3193508 0.3185456), wk = 0.0030488 k( 309) = ( 0.5016637 0.3282568 0.3274292), wk = 0.0030488 k( 310) = ( 0.5017086 0.3371628 0.3363128), wk = 0.0030488 k( 311) = ( 0.5017536 0.3460688 0.3451963), wk = 0.0030488 k( 312) = ( 0.5017986 0.3549748 0.3540799), wk = 0.0030488 k( 313) = ( 0.5018435 0.3638808 0.3629634), wk = 0.0030488 k( 314) = ( 0.5018885 0.3727868 0.3718470), wk = 0.0030488 k( 315) = ( 0.5019335 0.3816928 0.3807305), wk = 0.0030488 k( 316) = ( 0.5019784 0.3905988 0.3896141), wk = 0.0030488 k( 317) = ( 0.5020234 0.3995048 0.3984976), wk = 0.0030488 k( 318) = ( 0.5020683 0.4084108 0.4073812), wk = 0.0030488 k( 319) = ( 0.5021133 0.4173168 0.4162647), wk = 0.0030488 k( 320) = ( 0.5021583 0.4262228 0.4251483), wk = 0.0030488 k( 321) = ( 0.5022032 0.4351288 0.4340318), wk = 0.0030488 k( 322) = ( 0.5022482 0.4440348 0.4429154), wk = 0.0030488 k( 323) = ( 0.5022932 0.4529408 0.4517989), wk = 0.0030488 k( 324) = ( 0.5023381 0.4618468 0.4606825), wk = 0.0030488 k( 325) = ( 0.5023831 0.4707529 0.4695660), wk = 0.0030488 k( 326) = ( 0.5024281 0.4796589 0.4784496), wk = 0.0030488 k( 327) = ( 0.5024730 0.4885649 0.4873331), wk = 0.0030488 k( 328) = ( 0.5025180 0.4974709 0.4962167), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0030488 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0030488 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0030488 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030488 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0030488 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0030488 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0030488 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0030488 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0030488 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0030488 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0030488 k( 20) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0030488 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030488 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0030488 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0030488 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0030488 k( 26) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0030488 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0030488 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0030488 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0030488 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0030488 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0030488 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0030488 k( 39) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0030488 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0030488 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.0088836 -0.0088836), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177672 -0.0177672), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266508 -0.0266508), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355344 -0.0355344), wk = 0.0030488 k( 47) = ( 0.5000000 0.0444180 -0.0444180), wk = 0.0030488 k( 48) = ( 0.5000000 0.0533016 -0.0533016), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621853 -0.0621853), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710689 -0.0710689), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799525 -0.0799525), wk = 0.0030488 k( 52) = ( 0.5000000 0.0888361 -0.0888361), wk = 0.0030488 k( 53) = ( 0.5000000 0.0977197 -0.0977197), wk = 0.0030488 k( 54) = ( 0.5000000 0.1066033 -0.1066033), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154869 -0.1154869), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243705 -0.1243705), wk = 0.0030488 k( 57) = ( 0.5000000 0.1332541 -0.1332541), wk = 0.0030488 k( 58) = ( 0.5000000 0.1421377 -0.1421377), wk = 0.0030488 k( 59) = ( 0.5000000 0.1510213 -0.1510213), wk = 0.0030488 k( 60) = ( 0.5000000 0.1599049 -0.1599049), wk = 0.0030488 k( 61) = ( 0.5000000 0.1687885 -0.1687885), wk = 0.0030488 k( 62) = ( 0.5000000 0.1776722 -0.1776722), wk = 0.0030488 k( 63) = ( 0.5000000 0.1865558 -0.1865558), wk = 0.0030488 k( 64) = ( 0.5000000 0.1954394 -0.1954394), wk = 0.0030488 k( 65) = ( 0.5000000 0.2043230 -0.2043230), wk = 0.0030488 k( 66) = ( 0.5000000 0.2132066 -0.2132066), wk = 0.0030488 k( 67) = ( 0.5000000 0.2220902 -0.2220902), wk = 0.0030488 k( 68) = ( 0.5000000 0.2309738 -0.2309738), wk = 0.0030488 k( 69) = ( 0.5000000 0.2398574 -0.2398574), wk = 0.0030488 k( 70) = ( 0.5000000 0.2487410 -0.2487410), wk = 0.0030488 k( 71) = ( 0.5000000 0.2576246 -0.2576246), wk = 0.0030488 k( 72) = ( 0.5000000 0.2665082 -0.2665082), wk = 0.0030488 k( 73) = ( 0.5000000 0.2753918 -0.2753918), wk = 0.0030488 k( 74) = ( 0.5000000 0.2842754 -0.2842754), wk = 0.0030488 k( 75) = ( 0.5000000 0.2931591 -0.2931590), wk = 0.0030488 k( 76) = ( 0.5000000 0.3020427 -0.3020427), wk = 0.0030488 k( 77) = ( 0.5000000 0.3109263 -0.3109263), wk = 0.0030488 k( 78) = ( 0.5000000 0.3198099 -0.3198099), wk = 0.0030488 k( 79) = ( 0.5000000 0.3286935 -0.3286935), wk = 0.0030488 k( 80) = ( 0.5000000 0.3375771 -0.3375771), wk = 0.0030488 k( 81) = ( 0.5000000 0.3464607 -0.3464607), wk = 0.0030488 k( 82) = ( 0.5000000 0.3553443 -0.3553443), wk = 0.0030488 k( 83) = ( 0.5000000 0.3642279 -0.3642279), wk = 0.0030488 k( 84) = ( 0.5000000 0.3731115 -0.3731115), wk = 0.0030488 k( 85) = ( 0.5000000 0.3819951 -0.3819951), wk = 0.0030488 k( 86) = ( 0.5000000 0.3908787 -0.3908787), wk = 0.0030488 k( 87) = ( 0.5000000 0.3997623 -0.3997623), wk = 0.0030488 k( 88) = ( 0.5000000 0.4086459 -0.4086459), wk = 0.0030488 k( 89) = ( 0.5000000 0.4175296 -0.4175296), wk = 0.0030488 k( 90) = ( 0.5000000 0.4264132 -0.4264132), wk = 0.0030488 k( 91) = ( 0.5000000 0.4352968 -0.4352968), wk = 0.0030488 k( 92) = ( 0.5000000 0.4441804 -0.4441804), wk = 0.0030488 k( 93) = ( 0.5000000 0.4530640 -0.4530640), wk = 0.0030488 k( 94) = ( 0.5000000 0.4619476 -0.4619476), wk = 0.0030488 k( 95) = ( 0.5000000 0.4708312 -0.4708312), wk = 0.0030488 k( 96) = ( 0.5000000 0.4797148 -0.4797148), wk = 0.0030488 k( 97) = ( 0.5000000 0.4885984 -0.4885984), wk = 0.0030488 k( 98) = ( 0.5000000 0.4974820 -0.4974820), wk = 0.0030488 k( 99) = ( 0.5025180 0.5000000 0.4974820), wk = 0.0030488 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030488 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030488 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030488 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030488 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030488 k( 107) = ( 0.4558823 0.4558823 0.4558824), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308824 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0030488 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030488 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030488 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030488 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030488 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030488 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030488 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030488 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030488 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030488 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030488 k( 141) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0030488 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030488 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030488 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030488 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030488 k( 146) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0030488 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030488 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030488 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030488 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030488 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030488 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030488 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030488 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030488 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030488 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030488 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030488 k( 158) = ( 0.0808824 0.0808824 0.0808823), wk = 0.0030488 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030488 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030488 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030488 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030488 k( 163) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0030488 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030488 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030488 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089061 -0.0000000 -0.0089061), wk = 0.0030488 k( 172) = ( 0.0178122 -0.0000000 -0.0178122), wk = 0.0030488 k( 173) = ( 0.0267183 0.0000000 -0.0267183), wk = 0.0030488 k( 174) = ( 0.0356244 -0.0000000 -0.0356244), wk = 0.0030488 k( 175) = ( 0.0445304 0.0000000 -0.0445304), wk = 0.0030488 k( 176) = ( 0.0534365 0.0000000 -0.0534365), wk = 0.0030488 k( 177) = ( 0.0623426 -0.0000000 -0.0623426), wk = 0.0030488 k( 178) = ( 0.0712487 -0.0000000 -0.0712487), wk = 0.0030488 k( 179) = ( 0.0801548 0.0000000 -0.0801548), wk = 0.0030488 k( 180) = ( 0.0890609 -0.0000000 -0.0890609), wk = 0.0030488 k( 181) = ( 0.0979670 0.0000000 -0.0979670), wk = 0.0030488 k( 182) = ( 0.1068731 0.0000000 -0.1068731), wk = 0.0030488 k( 183) = ( 0.1157792 -0.0000000 -0.1157792), wk = 0.0030488 k( 184) = ( 0.1246852 0.0000000 -0.1246852), wk = 0.0030488 k( 185) = ( 0.1335913 0.0000000 -0.1335913), wk = 0.0030488 k( 186) = ( 0.1424974 0.0000000 -0.1424974), wk = 0.0030488 k( 187) = ( 0.1514035 0.0000000 -0.1514035), wk = 0.0030488 k( 188) = ( 0.1603096 0.0000000 -0.1603096), wk = 0.0030488 k( 189) = ( 0.1692157 0.0000000 -0.1692157), wk = 0.0030488 k( 190) = ( 0.1781218 -0.0000000 -0.1781218), wk = 0.0030488 k( 191) = ( 0.1870279 0.0000000 -0.1870279), wk = 0.0030488 k( 192) = ( 0.1959340 0.0000000 -0.1959340), wk = 0.0030488 k( 193) = ( 0.2048401 0.0000000 -0.2048401), wk = 0.0030488 k( 194) = ( 0.2137461 0.0000000 -0.2137461), wk = 0.0030488 k( 195) = ( 0.2226522 0.0000000 -0.2226522), wk = 0.0030488 k( 196) = ( 0.2315583 0.0000000 -0.2315583), wk = 0.0030488 k( 197) = ( 0.2404644 0.0000000 -0.2404644), wk = 0.0030488 k( 198) = ( 0.2493705 0.0000000 -0.2493705), wk = 0.0030488 k( 199) = ( 0.2582766 0.0000000 -0.2582766), wk = 0.0030488 k( 200) = ( 0.2671827 0.0000000 -0.2671827), wk = 0.0030488 k( 201) = ( 0.2760888 0.0000000 -0.2760888), wk = 0.0030488 k( 202) = ( 0.2849949 0.0000000 -0.2849949), wk = 0.0030488 k( 203) = ( 0.2939009 0.0000000 -0.2939009), wk = 0.0030488 k( 204) = ( 0.3028070 0.0000000 -0.3028070), wk = 0.0030488 k( 205) = ( 0.3117131 0.0000000 -0.3117131), wk = 0.0030488 k( 206) = ( 0.3206192 0.0000000 -0.3206192), wk = 0.0030488 k( 207) = ( 0.3295253 0.0000000 -0.3295253), wk = 0.0030488 k( 208) = ( 0.3384314 0.0000000 -0.3384314), wk = 0.0030488 k( 209) = ( 0.3473375 0.0000000 -0.3473375), wk = 0.0030488 k( 210) = ( 0.3562436 -0.0000000 -0.3562436), wk = 0.0030488 k( 211) = ( 0.3651497 -0.0000000 -0.3651497), wk = 0.0030488 k( 212) = ( 0.3740558 0.0000000 -0.3740558), wk = 0.0030488 k( 213) = ( 0.3829618 0.0000000 -0.3829618), wk = 0.0030488 k( 214) = ( 0.3918679 0.0000000 -0.3918679), wk = 0.0030488 k( 215) = ( 0.4007740 0.0000000 -0.4007740), wk = 0.0030488 k( 216) = ( 0.4096801 0.0000000 -0.4096801), wk = 0.0030488 k( 217) = ( 0.4185862 0.0000000 -0.4185862), wk = 0.0030488 k( 218) = ( 0.4274923 0.0000000 -0.4274923), wk = 0.0030488 k( 219) = ( 0.4363984 0.0000000 -0.4363984), wk = 0.0030488 k( 220) = ( 0.4453045 0.0000000 -0.4453045), wk = 0.0030488 k( 221) = ( 0.4542106 0.0000000 -0.4542106), wk = 0.0030488 k( 222) = ( 0.4631167 0.0000000 -0.4631167), wk = 0.0030488 k( 223) = ( 0.4720227 0.0000000 -0.4720227), wk = 0.0030488 k( 224) = ( 0.4809288 0.0000000 -0.4809288), wk = 0.0030488 k( 225) = ( 0.4898349 -0.0000000 -0.4898349), wk = 0.0030488 k( 226) = ( 0.4987410 -0.0000000 -0.4987410), wk = 0.0030488 k( 227) = ( 0.5012590 0.4987410 0.0000000), wk = 0.0030488 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 230) = ( 0.5000315 0.5000315 0.0124371), wk = 0.0030488 k( 231) = ( 0.5000630 0.5000630 0.0248741), wk = 0.0030488 k( 232) = ( 0.5000944 0.5000944 0.0373112), wk = 0.0030488 k( 233) = ( 0.5001259 0.5001259 0.0497482), wk = 0.0030488 k( 234) = ( 0.5001574 0.5001574 0.0621852), wk = 0.0030488 k( 235) = ( 0.5001889 0.5001889 0.0746223), wk = 0.0030488 k( 236) = ( 0.5002203 0.5002203 0.0870593), wk = 0.0030488 k( 237) = ( 0.5002518 0.5002518 0.0994964), wk = 0.0030488 k( 238) = ( 0.5002833 0.5002833 0.1119335), wk = 0.0030488 k( 239) = ( 0.5003148 0.5003148 0.1243705), wk = 0.0030488 k( 240) = ( 0.5003462 0.5003462 0.1368076), wk = 0.0030488 k( 241) = ( 0.5003777 0.5003777 0.1492446), wk = 0.0030488 k( 242) = ( 0.5004092 0.5004092 0.1616817), wk = 0.0030488 k( 243) = ( 0.5004407 0.5004407 0.1741187), wk = 0.0030488 k( 244) = ( 0.5004721 0.5004721 0.1865558), wk = 0.0030488 k( 245) = ( 0.5005036 0.5005036 0.1989928), wk = 0.0030488 k( 246) = ( 0.5005351 0.5005351 0.2114299), wk = 0.0030488 k( 247) = ( 0.5005666 0.5005666 0.2238669), wk = 0.0030488 k( 248) = ( 0.5005980 0.5005980 0.2363040), wk = 0.0030488 k( 249) = ( 0.5006295 0.5006295 0.2487410), wk = 0.0030488 k( 250) = ( 0.5006610 0.5006610 0.2611781), wk = 0.0030488 k( 251) = ( 0.5006924 0.5006924 0.2736151), wk = 0.0030488 k( 252) = ( 0.5007239 0.5007239 0.2860522), wk = 0.0030488 k( 253) = ( 0.5007554 0.5007554 0.2984892), wk = 0.0030488 k( 254) = ( 0.5007869 0.5007869 0.3109263), wk = 0.0030488 k( 255) = ( 0.5008183 0.5008183 0.3233633), wk = 0.0030488 k( 256) = ( 0.5008498 0.5008498 0.3358004), wk = 0.0030488 k( 257) = ( 0.5008813 0.5008813 0.3482374), wk = 0.0030488 k( 258) = ( 0.5009128 0.5009128 0.3606745), wk = 0.0030488 k( 259) = ( 0.5009442 0.5009442 0.3731115), wk = 0.0030488 k( 260) = ( 0.5009757 0.5009757 0.3855486), wk = 0.0030488 k( 261) = ( 0.5010072 0.5010072 0.3979856), wk = 0.0030488 k( 262) = ( 0.5010387 0.5010387 0.4104227), wk = 0.0030488 k( 263) = ( 0.5010701 0.5010701 0.4228597), wk = 0.0030488 k( 264) = ( 0.5011016 0.5011016 0.4352968), wk = 0.0030488 k( 265) = ( 0.5011331 0.5011331 0.4477338), wk = 0.0030488 k( 266) = ( 0.5011646 0.5011646 0.4601709), wk = 0.0030488 k( 267) = ( 0.5011960 0.5011960 0.4726079), wk = 0.0030488 k( 268) = ( 0.5012275 0.5012275 0.4850450), wk = 0.0030488 k( 269) = ( 0.5012590 0.5012590 0.4974820), wk = 0.0030488 k( 270) = ( 0.5012590 0.5012590 0.4974820), wk = 0.0030488 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 273) = ( 0.5000450 0.0089061 0.0089061), wk = 0.0030488 k( 274) = ( 0.5000899 0.0178122 0.0178122), wk = 0.0030488 k( 275) = ( 0.5001349 0.0267183 0.0267183), wk = 0.0030488 k( 276) = ( 0.5001799 0.0356244 0.0356244), wk = 0.0030488 k( 277) = ( 0.5002248 0.0445304 0.0445304), wk = 0.0030488 k( 278) = ( 0.5002698 0.0534365 0.0534365), wk = 0.0030488 k( 279) = ( 0.5003148 0.0623426 0.0623426), wk = 0.0030488 k( 280) = ( 0.5003597 0.0712487 0.0712487), wk = 0.0030488 k( 281) = ( 0.5004047 0.0801548 0.0801548), wk = 0.0030488 k( 282) = ( 0.5004496 0.0890609 0.0890609), wk = 0.0030488 k( 283) = ( 0.5004946 0.0979670 0.0979670), wk = 0.0030488 k( 284) = ( 0.5005396 0.1068731 0.1068731), wk = 0.0030488 k( 285) = ( 0.5005845 0.1157792 0.1157792), wk = 0.0030488 k( 286) = ( 0.5006295 0.1246853 0.1246852), wk = 0.0030488 k( 287) = ( 0.5006745 0.1335913 0.1335913), wk = 0.0030488 k( 288) = ( 0.5007194 0.1424974 0.1424974), wk = 0.0030488 k( 289) = ( 0.5007644 0.1514035 0.1514035), wk = 0.0030488 k( 290) = ( 0.5008094 0.1603096 0.1603096), wk = 0.0030488 k( 291) = ( 0.5008543 0.1692157 0.1692157), wk = 0.0030488 k( 292) = ( 0.5008993 0.1781218 0.1781218), wk = 0.0030488 k( 293) = ( 0.5009442 0.1870279 0.1870279), wk = 0.0030488 k( 294) = ( 0.5009892 0.1959340 0.1959340), wk = 0.0030488 k( 295) = ( 0.5010342 0.2048401 0.2048401), wk = 0.0030488 k( 296) = ( 0.5010791 0.2137462 0.2137461), wk = 0.0030488 k( 297) = ( 0.5011241 0.2226522 0.2226522), wk = 0.0030488 k( 298) = ( 0.5011691 0.2315583 0.2315583), wk = 0.0030488 k( 299) = ( 0.5012140 0.2404644 0.2404644), wk = 0.0030488 k( 300) = ( 0.5012590 0.2493705 0.2493705), wk = 0.0030488 k( 301) = ( 0.5013040 0.2582766 0.2582766), wk = 0.0030488 k( 302) = ( 0.5013489 0.2671827 0.2671827), wk = 0.0030488 k( 303) = ( 0.5013939 0.2760888 0.2760888), wk = 0.0030488 k( 304) = ( 0.5014388 0.2849949 0.2849949), wk = 0.0030488 k( 305) = ( 0.5014838 0.2939009 0.2939009), wk = 0.0030488 k( 306) = ( 0.5015288 0.3028070 0.3028070), wk = 0.0030488 k( 307) = ( 0.5015737 0.3117131 0.3117131), wk = 0.0030488 k( 308) = ( 0.5016187 0.3206192 0.3206192), wk = 0.0030488 k( 309) = ( 0.5016637 0.3295253 0.3295253), wk = 0.0030488 k( 310) = ( 0.5017086 0.3384314 0.3384314), wk = 0.0030488 k( 311) = ( 0.5017536 0.3473375 0.3473375), wk = 0.0030488 k( 312) = ( 0.5017986 0.3562436 0.3562436), wk = 0.0030488 k( 313) = ( 0.5018435 0.3651497 0.3651497), wk = 0.0030488 k( 314) = ( 0.5018885 0.3740558 0.3740558), wk = 0.0030488 k( 315) = ( 0.5019335 0.3829619 0.3829618), wk = 0.0030488 k( 316) = ( 0.5019784 0.3918679 0.3918679), wk = 0.0030488 k( 317) = ( 0.5020234 0.4007740 0.4007740), wk = 0.0030488 k( 318) = ( 0.5020683 0.4096801 0.4096801), wk = 0.0030488 k( 319) = ( 0.5021133 0.4185862 0.4185862), wk = 0.0030488 k( 320) = ( 0.5021583 0.4274923 0.4274923), wk = 0.0030488 k( 321) = ( 0.5022032 0.4363984 0.4363984), wk = 0.0030488 k( 322) = ( 0.5022482 0.4453045 0.4453045), wk = 0.0030488 k( 323) = ( 0.5022932 0.4542106 0.4542106), wk = 0.0030488 k( 324) = ( 0.5023381 0.4631167 0.4631166), wk = 0.0030488 k( 325) = ( 0.5023831 0.4720227 0.4720227), wk = 0.0030488 k( 326) = ( 0.5024281 0.4809288 0.4809288), wk = 0.0030488 k( 327) = ( 0.5024730 0.4898349 0.4898349), wk = 0.0030488 k( 328) = ( 0.5025180 0.4987410 0.4987410), wk = 0.0030488 Dense grid: 101085 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21999 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 124, 48) NL pseudopotentials 0.11 Mb ( 62, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1789) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 124, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.5 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 5 total cpu time spent up to now is 55.1 secs Computing kpt #: 6 total cpu time spent up to now is 57.2 secs Computing kpt #: 7 total cpu time spent up to now is 61.0 secs Computing kpt #: 8 total cpu time spent up to now is 62.7 secs Computing kpt #: 9 total cpu time spent up to now is 64.5 secs Computing kpt #: 10 total cpu time spent up to now is 66.1 secs Computing kpt #: 11 total cpu time spent up to now is 67.9 secs Computing kpt #: 12 total cpu time spent up to now is 70.6 secs Computing kpt #: 13 total cpu time spent up to now is 72.7 secs Computing kpt #: 14 total cpu time spent up to now is 74.0 secs Computing kpt #: 15 total cpu time spent up to now is 75.5 secs Computing kpt #: 16 total cpu time spent up to now is 76.8 secs Computing kpt #: 17 total cpu time spent up to now is 78.1 secs Computing kpt #: 18 total cpu time spent up to now is 79.3 secs Computing kpt #: 19 total cpu time spent up to now is 82.1 secs Computing kpt #: 20 total cpu time spent up to now is 83.5 secs Computing kpt #: 21 total cpu time spent up to now is 84.7 secs Computing kpt #: 22 total cpu time spent up to now is 85.9 secs Computing kpt #: 23 total cpu time spent up to now is 87.2 secs Computing kpt #: 24 total cpu time spent up to now is 88.5 secs Computing kpt #: 25 total cpu time spent up to now is 89.7 secs Computing kpt #: 26 total cpu time spent up to now is 90.9 secs Computing kpt #: 27 total cpu time spent up to now is 92.1 secs Computing kpt #: 28 total cpu time spent up to now is 93.4 secs Computing kpt #: 29 total cpu time spent up to now is 96.4 secs Computing kpt #: 30 total cpu time spent up to now is 98.3 secs Computing kpt #: 31 total cpu time spent up to now is 99.5 secs Computing kpt #: 32 total cpu time spent up to now is 100.7 secs Computing kpt #: 33 total cpu time spent up to now is 101.9 secs Computing kpt #: 34 total cpu time spent up to now is 103.2 secs Computing kpt #: 35 total cpu time spent up to now is 104.4 secs Computing kpt #: 36 total cpu time spent up to now is 105.6 secs Computing kpt #: 37 total cpu time spent up to now is 106.8 secs Computing kpt #: 38 total cpu time spent up to now is 108.0 secs Computing kpt #: 39 total cpu time spent up to now is 109.2 secs Computing kpt #: 40 total cpu time spent up to now is 112.1 secs Computing kpt #: 41 total cpu time spent up to now is 113.3 secs Computing kpt #: 42 total cpu time spent up to now is 114.4 secs Computing kpt #: 43 total cpu time spent up to now is 115.6 secs Computing kpt #: 44 total cpu time spent up to now is 117.0 secs Computing kpt #: 45 total cpu time spent up to now is 118.3 secs Computing kpt #: 46 total cpu time spent up to now is 119.5 secs Computing kpt #: 47 total cpu time spent up to now is 120.7 secs Computing kpt #: 48 total cpu time spent up to now is 121.9 secs Computing kpt #: 49 total cpu time spent up to now is 124.8 secs Computing kpt #: 50 total cpu time spent up to now is 126.5 secs Computing kpt #: 51 total cpu time spent up to now is 127.6 secs Computing kpt #: 52 total cpu time spent up to now is 128.8 secs Computing kpt #: 53 total cpu time spent up to now is 130.1 secs Computing kpt #: 54 total cpu time spent up to now is 131.4 secs Computing kpt #: 55 total cpu time spent up to now is 132.6 secs Computing kpt #: 56 total cpu time spent up to now is 135.3 secs Computing kpt #: 57 total cpu time spent up to now is 136.7 secs Computing kpt #: 58 total cpu time spent up to now is 137.9 secs Computing kpt #: 59 total cpu time spent up to now is 139.0 secs Computing kpt #: 60 total cpu time spent up to now is 141.9 secs Computing kpt #: 61 total cpu time spent up to now is 143.4 secs Computing kpt #: 62 total cpu time spent up to now is 144.9 secs Computing kpt #: 63 total cpu time spent up to now is 146.1 secs Computing kpt #: 64 total cpu time spent up to now is 147.4 secs Computing kpt #: 65 total cpu time spent up to now is 148.6 secs Computing kpt #: 66 total cpu time spent up to now is 151.8 secs Computing kpt #: 67 total cpu time spent up to now is 153.2 secs Computing kpt #: 68 total cpu time spent up to now is 154.5 secs Computing kpt #: 69 total cpu time spent up to now is 155.8 secs Computing kpt #: 70 total cpu time spent up to now is 157.2 secs Computing kpt #: 71 total cpu time spent up to now is 158.6 secs Computing kpt #: 72 total cpu time spent up to now is 160.1 secs Computing kpt #: 73 total cpu time spent up to now is 161.5 secs Computing kpt #: 74 total cpu time spent up to now is 163.2 secs Computing kpt #: 75 total cpu time spent up to now is 165.6 secs Computing kpt #: 76 total cpu time spent up to now is 169.1 secs Computing kpt #: 77 total cpu time spent up to now is 171.1 secs Computing kpt #: 78 total cpu time spent up to now is 173.3 secs Computing kpt #: 79 total cpu time spent up to now is 175.3 secs Computing kpt #: 80 total cpu time spent up to now is 177.6 secs Computing kpt #: 81 total cpu time spent up to now is 180.0 secs Computing kpt #: 82 total cpu time spent up to now is 184.4 secs Computing kpt #: 83 total cpu time spent up to now is 186.9 secs Computing kpt #: 84 total cpu time spent up to now is 189.1 secs Computing kpt #: 85 total cpu time spent up to now is 191.7 secs Computing kpt #: 86 total cpu time spent up to now is 195.6 secs Computing kpt #: 87 total cpu time spent up to now is 198.5 secs Computing kpt #: 88 total cpu time spent up to now is 201.1 secs Computing kpt #: 89 total cpu time spent up to now is 204.0 secs Computing kpt #: 90 total cpu time spent up to now is 207.3 secs Computing kpt #: 91 total cpu time spent up to now is 210.2 secs Computing kpt #: 92 total cpu time spent up to now is 213.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.8 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.4 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.0 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.5 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.5 secs Computing kpt #: 101 total cpu time spent up to now is 243.7 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.5 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.7 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.0 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.7 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.8 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.1 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.4 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.8 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 315.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.7 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.2 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.4 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.6 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.7 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.8 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.0 secs Computing kpt #: 132 total cpu time spent up to now is 342.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.9 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.0 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 352.2 secs Computing kpt #: 136 total cpu time spent up to now is 354.4 secs Computing kpt #: 137 total cpu time spent up to now is 356.2 secs Computing kpt #: 138 total cpu time spent up to now is 358.5 secs Computing kpt #: 139 total cpu time spent up to now is 360.1 secs Computing kpt #: 140 total cpu time spent up to now is 363.2 secs Computing kpt #: 141 total cpu time spent up to now is 364.8 secs Computing kpt #: 142 total cpu time spent up to now is 366.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 369.7 secs Computing kpt #: 144 total cpu time spent up to now is 371.4 secs Computing kpt #: 145 total cpu time spent up to now is 372.8 secs Computing kpt #: 146 total cpu time spent up to now is 374.6 secs Computing kpt #: 147 total cpu time spent up to now is 376.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.2 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.4 secs Computing kpt #: 150 total cpu time spent up to now is 383.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.1 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.4 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.6 secs Computing kpt #: 154 total cpu time spent up to now is 396.1 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.4 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 402.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.1 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.3 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.5 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.8 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.0 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.2 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 428.7 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.8 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 435.1 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.3 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.5 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.7 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.5 secs Computing kpt #: 173 total cpu time spent up to now is 457.4 secs Computing kpt #: 174 total cpu time spent up to now is 460.2 secs Computing kpt #: 175 total cpu time spent up to now is 462.9 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 466.2 secs Computing kpt #: 177 total cpu time spent up to now is 468.0 secs Computing kpt #: 178 total cpu time spent up to now is 470.0 secs Computing kpt #: 179 total cpu time spent up to now is 471.7 secs Computing kpt #: 180 total cpu time spent up to now is 473.5 secs Computing kpt #: 181 total cpu time spent up to now is 475.3 secs Computing kpt #: 182 total cpu time spent up to now is 477.0 secs Computing kpt #: 183 total cpu time spent up to now is 478.9 secs Computing kpt #: 184 total cpu time spent up to now is 480.6 secs Computing kpt #: 185 total cpu time spent up to now is 482.4 secs Computing kpt #: 186 total cpu time spent up to now is 483.8 secs Computing kpt #: 187 total cpu time spent up to now is 485.1 secs Computing kpt #: 188 total cpu time spent up to now is 486.4 secs Computing kpt #: 189 total cpu time spent up to now is 487.7 secs Computing kpt #: 190 total cpu time spent up to now is 489.0 secs Computing kpt #: 191 total cpu time spent up to now is 490.3 secs Computing kpt #: 192 total cpu time spent up to now is 491.9 secs Computing kpt #: 193 total cpu time spent up to now is 493.4 secs Computing kpt #: 194 total cpu time spent up to now is 494.7 secs Computing kpt #: 195 total cpu time spent up to now is 496.0 secs Computing kpt #: 196 total cpu time spent up to now is 497.3 secs Computing kpt #: 197 total cpu time spent up to now is 498.8 secs Computing kpt #: 198 total cpu time spent up to now is 500.0 secs Computing kpt #: 199 total cpu time spent up to now is 501.2 secs Computing kpt #: 200 total cpu time spent up to now is 502.5 secs Computing kpt #: 201 total cpu time spent up to now is 503.7 secs Computing kpt #: 202 total cpu time spent up to now is 504.9 secs Computing kpt #: 203 total cpu time spent up to now is 506.1 secs Computing kpt #: 204 total cpu time spent up to now is 507.4 secs Computing kpt #: 205 total cpu time spent up to now is 508.7 secs Computing kpt #: 206 total cpu time spent up to now is 509.9 secs Computing kpt #: 207 total cpu time spent up to now is 511.0 secs Computing kpt #: 208 total cpu time spent up to now is 512.2 secs Computing kpt #: 209 total cpu time spent up to now is 513.4 secs Computing kpt #: 210 total cpu time spent up to now is 514.6 secs Computing kpt #: 211 total cpu time spent up to now is 515.8 secs Computing kpt #: 212 total cpu time spent up to now is 517.1 secs Computing kpt #: 213 total cpu time spent up to now is 518.2 secs Computing kpt #: 214 total cpu time spent up to now is 519.5 secs Computing kpt #: 215 total cpu time spent up to now is 520.7 secs Computing kpt #: 216 total cpu time spent up to now is 521.8 secs Computing kpt #: 217 total cpu time spent up to now is 523.0 secs Computing kpt #: 218 total cpu time spent up to now is 524.0 secs Computing kpt #: 219 total cpu time spent up to now is 525.0 secs Computing kpt #: 220 total cpu time spent up to now is 526.2 secs Computing kpt #: 221 total cpu time spent up to now is 527.2 secs Computing kpt #: 222 total cpu time spent up to now is 528.2 secs Computing kpt #: 223 total cpu time spent up to now is 529.3 secs Computing kpt #: 224 total cpu time spent up to now is 530.3 secs Computing kpt #: 225 total cpu time spent up to now is 531.4 secs Computing kpt #: 226 total cpu time spent up to now is 532.5 secs Computing kpt #: 227 total cpu time spent up to now is 533.5 secs Computing kpt #: 228 total cpu time spent up to now is 534.5 secs Computing kpt #: 229 total cpu time spent up to now is 535.5 secs Computing kpt #: 230 total cpu time spent up to now is 536.5 secs Computing kpt #: 231 total cpu time spent up to now is 537.6 secs Computing kpt #: 232 total cpu time spent up to now is 538.8 secs Computing kpt #: 233 total cpu time spent up to now is 539.9 secs Computing kpt #: 234 total cpu time spent up to now is 540.9 secs Computing kpt #: 235 total cpu time spent up to now is 542.1 secs Computing kpt #: 236 total cpu time spent up to now is 543.2 secs Computing kpt #: 237 total cpu time spent up to now is 544.3 secs Computing kpt #: 238 total cpu time spent up to now is 545.5 secs Computing kpt #: 239 total cpu time spent up to now is 546.9 secs Computing kpt #: 240 total cpu time spent up to now is 548.2 secs Computing kpt #: 241 total cpu time spent up to now is 549.6 secs Computing kpt #: 242 total cpu time spent up to now is 550.8 secs Computing kpt #: 243 total cpu time spent up to now is 552.4 secs Computing kpt #: 244 total cpu time spent up to now is 553.9 secs Computing kpt #: 245 total cpu time spent up to now is 555.3 secs Computing kpt #: 246 total cpu time spent up to now is 556.9 secs Computing kpt #: 247 total cpu time spent up to now is 558.4 secs Computing kpt #: 248 total cpu time spent up to now is 559.9 secs Computing kpt #: 249 total cpu time spent up to now is 561.5 secs Computing kpt #: 250 total cpu time spent up to now is 563.1 secs Computing kpt #: 251 total cpu time spent up to now is 564.9 secs Computing kpt #: 252 total cpu time spent up to now is 566.7 secs Computing kpt #: 253 total cpu time spent up to now is 568.4 secs Computing kpt #: 254 total cpu time spent up to now is 570.3 secs Computing kpt #: 255 total cpu time spent up to now is 572.0 secs Computing kpt #: 256 total cpu time spent up to now is 573.9 secs Computing kpt #: 257 total cpu time spent up to now is 575.8 secs Computing kpt #: 258 total cpu time spent up to now is 577.9 secs Computing kpt #: 259 total cpu time spent up to now is 580.1 secs Computing kpt #: 260 total cpu time spent up to now is 582.5 secs Computing kpt #: 261 total cpu time spent up to now is 585.2 secs Computing kpt #: 262 total cpu time spent up to now is 587.8 secs Computing kpt #: 263 total cpu time spent up to now is 591.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.3 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 599.0 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.3 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.5 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 611.6 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 614.7 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 617.8 secs Computing kpt #: 272 total cpu time spent up to now is 618.9 secs Computing kpt #: 273 total cpu time spent up to now is 620.1 secs Computing kpt #: 274 total cpu time spent up to now is 621.4 secs Computing kpt #: 275 total cpu time spent up to now is 622.6 secs Computing kpt #: 276 total cpu time spent up to now is 623.8 secs Computing kpt #: 277 total cpu time spent up to now is 625.1 secs Computing kpt #: 278 total cpu time spent up to now is 626.3 secs Computing kpt #: 279 total cpu time spent up to now is 627.5 secs Computing kpt #: 280 total cpu time spent up to now is 628.7 secs Computing kpt #: 281 total cpu time spent up to now is 629.9 secs Computing kpt #: 282 total cpu time spent up to now is 631.1 secs Computing kpt #: 283 total cpu time spent up to now is 632.3 secs Computing kpt #: 284 total cpu time spent up to now is 633.5 secs Computing kpt #: 285 total cpu time spent up to now is 634.8 secs Computing kpt #: 286 total cpu time spent up to now is 635.9 secs Computing kpt #: 287 total cpu time spent up to now is 637.2 secs Computing kpt #: 288 total cpu time spent up to now is 638.5 secs Computing kpt #: 289 total cpu time spent up to now is 639.7 secs Computing kpt #: 290 total cpu time spent up to now is 640.9 secs Computing kpt #: 291 total cpu time spent up to now is 642.1 secs Computing kpt #: 292 total cpu time spent up to now is 643.2 secs Computing kpt #: 293 total cpu time spent up to now is 644.4 secs Computing kpt #: 294 total cpu time spent up to now is 645.6 secs Computing kpt #: 295 total cpu time spent up to now is 647.2 secs Computing kpt #: 296 total cpu time spent up to now is 648.4 secs Computing kpt #: 297 total cpu time spent up to now is 649.9 secs Computing kpt #: 298 total cpu time spent up to now is 651.3 secs Computing kpt #: 299 total cpu time spent up to now is 652.6 secs Computing kpt #: 300 total cpu time spent up to now is 654.0 secs Computing kpt #: 301 total cpu time spent up to now is 655.3 secs Computing kpt #: 302 total cpu time spent up to now is 656.9 secs Computing kpt #: 303 total cpu time spent up to now is 658.5 secs Computing kpt #: 304 total cpu time spent up to now is 660.1 secs Computing kpt #: 305 total cpu time spent up to now is 661.7 secs Computing kpt #: 306 total cpu time spent up to now is 663.0 secs Computing kpt #: 307 total cpu time spent up to now is 664.7 secs Computing kpt #: 308 total cpu time spent up to now is 666.5 secs Computing kpt #: 309 total cpu time spent up to now is 668.4 secs Computing kpt #: 310 total cpu time spent up to now is 670.2 secs Computing kpt #: 311 total cpu time spent up to now is 672.1 secs Computing kpt #: 312 total cpu time spent up to now is 674.6 secs Computing kpt #: 313 total cpu time spent up to now is 677.2 secs Computing kpt #: 314 total cpu time spent up to now is 679.7 secs Computing kpt #: 315 total cpu time spent up to now is 682.3 secs Computing kpt #: 316 total cpu time spent up to now is 684.9 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 688.1 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.2 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 694.4 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 697.6 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.7 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 703.9 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.1 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.2 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.4 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 716.6 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.8 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.9 secs ethr = 2.50E-11, avg # of iterations = 61.0 total cpu time spent up to now is 723.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9493 -45.9493 -22.6632 -22.6632 -22.0095 -22.0095 -22.0070 -22.0070 -14.4078 -14.4078 -6.4994 -6.4994 -5.8374 -5.8374 -5.8348 -5.8348 -0.9467 -0.9467 0.9680 0.9680 0.9695 0.9695 7.9750 7.9750 8.1905 8.1905 8.1941 8.1941 9.0046 9.0046 9.0140 9.0140 9.2335 9.2335 9.7899 9.7899 9.9364 9.9364 9.9922 9.9922 12.6685 12.6685 12.6802 12.6802 12.8074 12.8074 14.8007 14.8007 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9493 -45.9493 -22.6633 -22.6632 -22.0096 -22.0096 -22.0071 -22.0070 -14.4076 -14.4076 -6.4995 -6.4993 -5.8375 -5.8372 -5.8348 -5.8348 -0.9465 -0.9462 0.9683 0.9683 0.9695 0.9703 7.9721 7.9759 8.1878 8.1889 8.1925 8.1950 9.0025 9.0027 9.0111 9.0129 9.2319 9.2333 9.7745 9.7999 9.9228 9.9467 9.9923 9.9927 12.6694 12.6700 12.6806 12.6829 12.8076 12.8094 14.8031 14.8050 k = 0.0250-0.0001-0.0001 ( 2773 PWs) bands (ev): -45.9493 -45.9493 -22.6633 -22.6632 -22.0096 -22.0096 -22.0072 -22.0071 -14.4070 -14.4070 -6.4997 -6.4992 -5.8376 -5.8369 -5.8346 -5.8346 -0.9456 -0.9450 0.9692 0.9694 0.9706 0.9721 7.9670 7.9746 8.1797 8.1842 8.1911 8.1939 8.9965 8.9968 9.0043 9.0079 9.2284 9.2312 9.7549 9.8031 9.9081 9.9518 9.9922 9.9947 12.6705 12.6736 12.6865 12.6891 12.8099 12.8134 14.8011 14.8015 k = 0.0375-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9493 -45.9493 -22.6635 -22.6633 -22.0097 -22.0097 -22.0073 -22.0071 -14.4062 -14.4061 -6.5000 -6.4993 -5.8375 -5.8365 -5.8344 -5.8343 -0.9440 -0.9432 0.9706 0.9709 0.9727 0.9750 7.9596 7.9710 8.1674 8.1760 8.1890 8.1914 8.9864 8.9869 8.9940 8.9991 9.2232 9.2271 9.7316 9.7977 9.8947 9.9516 9.9912 9.9976 12.6711 12.6775 12.6987 12.7003 12.8147 12.8196 14.8009 14.8016 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9492 -45.9492 -22.6636 -22.6634 -22.0100 -22.0099 -22.0075 -22.0072 -14.4049 -14.4049 -6.5004 -6.4995 -5.8374 -5.8361 -5.8340 -5.8339 -0.9418 -0.9406 0.9726 0.9728 0.9758 0.9789 7.9493 7.9648 8.1517 8.1644 8.1859 8.1881 8.9724 8.9731 8.9807 8.9868 9.2160 9.2209 9.7052 9.7831 9.8840 9.9474 9.9888 9.9996 12.6719 12.6811 12.7163 12.7172 12.8220 12.8280 14.8007 14.8016 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9492 -45.9492 -22.6639 -22.6636 -22.0104 -22.0103 -22.0076 -22.0073 -14.4033 -14.4033 -6.5011 -6.4999 -5.8371 -5.8355 -5.8334 -5.8333 -0.9388 -0.9374 0.9751 0.9753 0.9800 0.9838 7.9359 7.9553 8.1332 8.1499 8.1819 8.1838 8.9547 8.9557 8.9648 8.9713 9.2069 9.2126 9.6763 9.7604 9.8754 9.9406 9.9846 9.9994 12.6736 12.6848 12.7389 12.7393 12.8321 12.8388 14.8005 14.8015 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9492 -45.9492 -22.6641 -22.6638 -22.0109 -22.0107 -22.0077 -22.0074 -14.4014 -14.4014 -6.5019 -6.5005 -5.8365 -5.8348 -5.8327 -5.8324 -0.9353 -0.9336 0.9780 0.9783 0.9852 0.9897 7.9186 7.9417 8.1129 8.1334 8.1768 8.1787 8.9337 8.9350 8.9464 8.9529 9.1958 9.2021 9.6452 9.7315 9.8673 9.9317 9.9784 9.9961 12.6763 12.6887 12.7660 12.7663 12.8454 12.8525 14.8002 14.8014 k = 0.0875-0.0002-0.0002 ( 2762 PWs) bands (ev): -45.9492 -45.9492 -22.6644 -22.6640 -22.0115 -22.0112 -22.0077 -22.0075 -14.3992 -14.3991 -6.5031 -6.5015 -5.8357 -5.8341 -5.8317 -5.8311 -0.9311 -0.9291 0.9815 0.9818 0.9914 0.9965 7.8969 7.9230 8.0921 8.1155 8.1706 8.1725 8.9101 8.9114 8.9259 8.9319 9.1827 9.1894 9.6121 9.6982 9.8585 9.9213 9.9700 9.9893 12.6799 12.6931 12.7973 12.7976 12.8622 12.8693 14.7999 14.8013 k = 0.1000-0.0003-0.0003 ( 2754 PWs) bands (ev): -45.9492 -45.9492 -22.6648 -22.6643 -22.0122 -22.0118 -22.0077 -22.0075 -14.3966 -14.3966 -6.5047 -6.5029 -5.8347 -5.8332 -5.8304 -5.8293 -0.9264 -0.9241 0.9855 0.9857 0.9984 1.0042 7.8702 7.8980 8.0721 8.0973 8.1633 8.1652 8.8842 8.8853 8.9033 8.9086 9.1676 9.1746 9.5774 9.6616 9.8485 9.9094 9.9594 9.9791 12.6845 12.6978 12.8322 12.8331 12.8826 12.8900 14.7995 14.8012 k = 0.1125-0.0003-0.0003 ( 2758 PWs) bands (ev): -45.9491 -45.9491 -22.6652 -22.6647 -22.0131 -22.0126 -22.0077 -22.0076 -14.3938 -14.3937 -6.5069 -6.5048 -5.8334 -5.8323 -5.8286 -5.8269 -0.9211 -0.9186 0.9899 0.9902 1.0063 1.0127 7.8380 7.8662 8.0536 8.0792 8.1549 8.1568 8.8564 8.8571 8.8792 8.8834 9.1506 9.1577 9.5412 9.6221 9.8370 9.8962 9.9466 9.9656 12.6898 12.7028 12.8700 12.8722 12.9072 12.9150 14.7992 14.8010 k = 0.1250-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9491 -45.9491 -22.6656 -22.6650 -22.0140 -22.0135 -22.0077 -22.0075 -14.3907 -14.3906 -6.5096 -6.5073 -5.8321 -5.8313 -5.8261 -5.8238 -0.9153 -0.9126 0.9948 0.9950 1.0150 1.0220 7.8004 7.8277 8.0370 8.0617 8.1452 8.1472 8.8272 8.8273 8.8538 8.8567 9.1319 9.1390 9.5036 9.5803 9.8240 9.8819 9.9318 9.9491 12.6957 12.7080 12.9097 12.9143 12.9362 12.9455 14.7988 14.8008 k = 0.1375-0.0003-0.0003 ( 2753 PWs) bands (ev): -45.9491 -45.9491 -22.6660 -22.6654 -22.0150 -22.0145 -22.0077 -22.0075 -14.3873 -14.3872 -6.5130 -6.5106 -5.8309 -5.8303 -5.8227 -5.8199 -0.9090 -0.9061 1.0001 1.0003 1.0245 1.0321 7.7575 7.7831 8.0219 8.0449 8.1342 8.1363 8.7962 8.7970 8.8274 8.8289 9.1116 9.1185 9.4650 9.5366 9.8096 9.8665 9.9153 9.9301 12.7019 12.7135 12.9499 12.9577 12.9710 12.9826 14.7983 14.8006 k = 0.1500-0.0004-0.0004 ( 2757 PWs) bands (ev): -45.9491 -45.9491 -22.6666 -22.6659 -22.0161 -22.0155 -22.0076 -22.0075 -14.3837 -14.3836 -6.5171 -6.5146 -5.8296 -5.8292 -5.8183 -5.8151 -0.9023 -0.8992 1.0057 1.0060 1.0347 1.0428 7.7098 7.7333 8.0077 8.0286 8.1219 8.1240 8.7642 8.7661 8.8002 8.8004 9.0899 9.0965 9.4253 9.4910 9.7939 9.8501 9.8974 9.9089 12.7083 12.7190 12.9902 12.9989 13.0146 13.0262 14.7979 14.8004 k = 0.1625-0.0004-0.0004 ( 2751 PWs) bands (ev): -45.9490 -45.9490 -22.6670 -22.6664 -22.0173 -22.0166 -22.0076 -22.0075 -14.3798 -14.3797 -6.5220 -6.5193 -5.8283 -5.8280 -5.8128 -5.8094 -0.8953 -0.8919 1.0117 1.0120 1.0456 1.0542 7.6580 7.6793 7.9940 8.0126 8.1082 8.1104 8.7315 8.7348 8.7711 8.7731 9.0670 9.0733 9.3847 9.4441 9.7771 9.8327 9.8782 9.8861 12.7148 12.7246 13.0316 13.0400 13.0645 13.0748 14.7974 14.8001 k = 0.1750-0.0004-0.0004 ( 2755 PWs) bands (ev): -45.9490 -45.9490 -22.6676 -22.6669 -22.0185 -22.0178 -22.0075 -22.0074 -14.3758 -14.3757 -6.5278 -6.5250 -5.8271 -5.8268 -5.8063 -5.8027 -0.8879 -0.8844 1.0181 1.0184 1.0571 1.0661 7.6025 7.6217 7.9803 7.9968 8.0931 8.0954 8.6986 8.7034 8.7420 8.7458 9.0431 9.0490 9.3435 9.3960 9.7592 9.8144 9.8583 9.8623 12.7213 12.7303 13.0753 13.0836 13.1172 13.1267 14.7968 14.7997 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9489 -45.9489 -22.6682 -22.6675 -22.0198 -22.0191 -22.0075 -22.0074 -14.3716 -14.3715 -6.5343 -6.5315 -5.8258 -5.8256 -5.7988 -5.7949 -0.8803 -0.8765 1.0247 1.0250 1.0691 1.0785 7.5441 7.5613 7.9665 7.9809 8.0765 8.0789 8.6656 8.6721 8.7129 8.7186 9.0185 9.0239 9.3018 9.3472 9.7406 9.7950 9.8377 9.8379 12.7278 12.7359 13.1214 13.1298 13.1720 13.1809 14.7963 14.7993 k = 0.2000-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9489 -45.9489 -22.6688 -22.6680 -22.0211 -22.0204 -22.0074 -22.0073 -14.3672 -14.3671 -6.5417 -6.5388 -5.8245 -5.8243 -5.7902 -5.7862 -0.8724 -0.8685 1.0316 1.0319 1.0815 1.0913 7.4833 7.4987 7.9522 7.9647 8.0586 8.0611 8.6329 8.6413 8.6843 8.6919 8.9934 8.9983 9.2599 9.2979 9.7212 9.7745 9.8137 9.8169 12.7342 12.7416 13.1699 13.1785 13.2282 13.2368 14.7956 14.7989 k = 0.2125-0.0005-0.0005 ( 2750 PWs) bands (ev): -45.9489 -45.9489 -22.6694 -22.6686 -22.0225 -22.0217 -22.0073 -22.0072 -14.3628 -14.3626 -6.5499 -6.5469 -5.8231 -5.8230 -5.7806 -5.7765 -0.8643 -0.8603 1.0387 1.0390 1.0943 1.1045 7.4207 7.4344 7.9374 7.9481 8.0394 8.0420 8.6006 8.6109 8.6562 8.6657 8.9680 8.9723 9.2181 9.2486 9.7013 9.7528 9.7901 9.7959 12.7406 12.7473 13.2205 13.2294 13.2854 13.2938 14.7949 14.7984 k = 0.2250-0.0006-0.0006 ( 2745 PWs) bands (ev): -45.9488 -45.9488 -22.6699 -22.6692 -22.0238 -22.0230 -22.0072 -22.0071 -14.3582 -14.3580 -6.5588 -6.5558 -5.8218 -5.8216 -5.7701 -5.7659 -0.8562 -0.8520 1.0459 1.0462 1.1075 1.1178 7.3568 7.3691 7.9221 7.9312 8.0189 8.0216 8.5689 8.5813 8.6287 8.6401 8.9427 8.9462 9.1765 9.1998 9.6811 9.7299 9.7675 9.7751 12.7468 12.7530 13.2728 13.2819 13.3433 13.3516 14.7942 14.7978 k = 0.2375-0.0006-0.0006 ( 2749 PWs) bands (ev): -45.9488 -45.9488 -22.6706 -22.6698 -22.0252 -22.0244 -22.0071 -22.0071 -14.3535 -14.3534 -6.5683 -6.5654 -5.8204 -5.8203 -5.7587 -5.7545 -0.8479 -0.8437 1.0533 1.0536 1.1208 1.1314 7.2921 7.3031 7.9061 7.9137 7.9974 8.0001 8.5381 8.5526 8.6020 8.6151 8.9176 8.9203 9.1355 9.1517 9.6606 9.7061 9.7461 9.7544 12.7530 12.7586 13.3265 13.3357 13.4016 13.4097 14.7934 14.7972 k = 0.2500-0.0006-0.0006 ( 2747 PWs) bands (ev): -45.9487 -45.9487 -22.6712 -22.6704 -22.0266 -22.0257 -22.0070 -22.0070 -14.3488 -14.3487 -6.5784 -6.5756 -5.8190 -5.8189 -5.7465 -5.7423 -0.8396 -0.8353 1.0608 1.0611 1.1343 1.1451 7.2270 7.2370 7.8896 7.8959 7.9749 7.9776 8.5083 8.5248 8.5760 8.5907 8.8929 8.8948 9.0954 9.1048 9.6401 9.6818 9.7257 9.7341 12.7591 12.7642 13.3810 13.3903 13.4598 13.4679 14.7925 14.7965 k = 0.2625-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9487 -45.9487 -22.6718 -22.6710 -22.0280 -22.0271 -22.0070 -22.0069 -14.3441 -14.3440 -6.5890 -6.5862 -5.8176 -5.8176 -5.7337 -5.7295 -0.8314 -0.8270 1.0683 1.0686 1.1479 1.1587 7.1622 7.1711 7.8726 7.8776 7.9517 7.9545 8.4795 8.4980 8.5507 8.5668 8.8689 8.8698 9.0565 9.0596 9.6197 9.6573 9.7062 9.7143 12.7651 12.7698 13.4360 13.4453 13.5177 13.5258 14.7915 14.7956 k = 0.2750-0.0007-0.0007 ( 2745 PWs) bands (ev): -45.9487 -45.9487 -22.6724 -22.6717 -22.0293 -22.0285 -22.0069 -22.0068 -14.3395 -14.3393 -6.6000 -6.5973 -5.8163 -5.8162 -5.7203 -5.7162 -0.8232 -0.8188 1.0758 1.0761 1.1615 1.1723 7.0979 7.1060 7.8551 7.8590 7.9281 7.9307 8.4519 8.4723 8.5261 8.5433 8.8454 8.8456 9.0165 9.0190 9.5995 9.6332 9.6876 9.6951 12.7710 12.7753 13.4911 13.5003 13.5749 13.5830 14.7904 14.7947 k = 0.2875-0.0007-0.0007 ( 2753 PWs) bands (ev): -45.9486 -45.9486 -22.6731 -22.6723 -22.0307 -22.0299 -22.0068 -22.0068 -14.3348 -14.3347 -6.6112 -6.6086 -5.8149 -5.8149 -5.7065 -5.7026 -0.8152 -0.8108 1.0832 1.0835 1.1749 1.1857 7.0347 7.0420 7.8374 7.8403 7.9041 7.9067 8.4256 8.4476 8.5021 8.5202 8.8218 8.8233 8.9759 8.9832 9.5796 9.6095 9.6696 9.6765 12.7768 12.7807 13.5458 13.5549 13.6312 13.6392 14.7893 14.7937 k = 0.3000-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9486 -45.9486 -22.6737 -22.6729 -22.0320 -22.0312 -22.0067 -22.0067 -14.3303 -14.3302 -6.6225 -6.6200 -5.8136 -5.8136 -5.6925 -5.6887 -0.8073 -0.8029 1.0906 1.0908 1.1882 1.1989 6.9729 6.9795 7.8195 7.8214 7.8801 7.8826 8.4005 8.4241 8.4787 8.4973 8.7991 8.8020 8.9381 8.9494 9.5603 9.5866 9.6525 9.6586 12.7824 12.7861 13.5998 13.6087 13.6863 13.6942 14.7881 14.7926 k = 0.3125-0.0008-0.0008 ( 2753 PWs) bands (ev): -45.9486 -45.9486 -22.6743 -22.6736 -22.0333 -22.0325 -22.0067 -22.0066 -14.3258 -14.3257 -6.6338 -6.6314 -5.8123 -5.8123 -5.6784 -5.6747 -0.7996 -0.7953 1.0977 1.0980 1.2012 1.2117 6.9129 6.9189 7.8016 7.8027 7.8564 7.8587 8.3767 8.4017 8.4560 8.4746 8.7774 8.7818 8.9035 8.9178 9.5416 9.5646 9.6361 9.6415 12.7879 12.7912 13.6527 13.6613 13.7398 13.7477 14.7867 14.7914 k = 0.3250-0.0008-0.0008 ( 2754 PWs) bands (ev): -45.9485 -45.9485 -22.6749 -22.6742 -22.0345 -22.0337 -22.0066 -22.0066 -14.3215 -14.3214 -6.6451 -6.6428 -5.8111 -5.8111 -5.6643 -5.6607 -0.7922 -0.7880 1.1047 1.1050 1.2139 1.2241 6.8550 6.8604 7.7838 7.7842 7.8331 7.8352 8.3543 8.3804 8.4339 8.4520 8.7567 8.7627 8.8721 8.8884 9.5236 9.5436 9.6204 9.6253 12.7932 12.7963 13.7040 13.7124 13.7915 13.7993 14.7853 14.7901 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9485 -45.9485 -22.6754 -22.6747 -22.0357 -22.0349 -22.0065 -22.0065 -14.3174 -14.3173 -6.6560 -6.6539 -5.8099 -5.8099 -5.6504 -5.6470 -0.7851 -0.7810 1.1115 1.1118 1.2261 1.2360 6.7996 6.8045 7.7661 7.7663 7.8104 7.8123 8.3332 8.3603 8.4125 8.4295 8.7370 8.7448 8.8443 8.8616 9.5064 9.5237 9.6057 9.6100 12.7983 12.8011 13.7536 13.7616 13.8411 13.8488 14.7838 14.7886 k = 0.3500-0.0009-0.0009 ( 2756 PWs) bands (ev): -45.9485 -45.9485 -22.6759 -22.6753 -22.0368 -22.0361 -22.0065 -22.0064 -14.3134 -14.3133 -6.6667 -6.6647 -5.8088 -5.8087 -5.6368 -5.6337 -0.7783 -0.7744 1.1179 1.1182 1.2379 1.2473 6.7470 6.7515 7.7486 7.7493 7.7887 7.7903 8.3135 8.3413 8.3919 8.4074 8.7186 8.7279 8.8198 8.8372 9.4901 9.5050 9.5918 9.5956 12.8032 12.8057 13.8009 13.8086 13.8884 13.8959 14.7822 14.7870 k = 0.3625-0.0009-0.0009 ( 2756 PWs) bands (ev): -45.9484 -45.9484 -22.6764 -22.6758 -22.0378 -22.0372 -22.0064 -22.0064 -14.3096 -14.3095 -6.6769 -6.6750 -5.8077 -5.8077 -5.6238 -5.6208 -0.7719 -0.7682 1.1241 1.1243 1.2490 1.2580 6.6975 6.7016 7.7318 7.7329 7.7680 7.7694 8.2952 8.3234 8.3722 8.3858 8.7014 8.7121 8.7987 8.8155 9.4748 9.4876 9.5789 9.5822 12.8078 12.8100 13.8458 13.8531 13.9332 13.9404 14.7806 14.7853 k = 0.3750-0.0009-0.0009 ( 2762 PWs) bands (ev): -45.9484 -45.9484 -22.6769 -22.6764 -22.0388 -22.0382 -22.0063 -22.0063 -14.3061 -14.3060 -6.6865 -6.6848 -5.8067 -5.8067 -5.6113 -5.6086 -0.7659 -0.7625 1.1298 1.1301 1.2595 1.2679 6.6514 6.6551 7.7160 7.7173 7.7485 7.7497 8.2784 8.3066 8.3536 8.3649 8.6857 8.6974 8.7806 8.7962 9.4606 9.4715 9.5670 9.5698 12.8121 12.8141 13.8880 13.8947 13.9751 13.9821 14.7789 14.7836 k = 0.3875-0.0010-0.0010 ( 2765 PWs) bands (ev): -45.9484 -45.9484 -22.6773 -22.6768 -22.0397 -22.0392 -22.0063 -22.0063 -14.3029 -14.3028 -6.6955 -6.6940 -5.8058 -5.8057 -5.5996 -5.5971 -0.7604 -0.7572 1.1352 1.1354 1.2693 1.2771 6.6090 6.6122 7.7012 7.7027 7.7305 7.7314 8.2631 8.2910 8.3363 8.3451 8.6714 8.6838 8.7652 8.7794 9.4476 9.4567 9.5561 9.5585 12.8161 12.8179 13.9271 13.9333 14.0139 14.0206 14.7772 14.7817 k = 0.4000-0.0010-0.0010 ( 2757 PWs) bands (ev): -45.9483 -45.9483 -22.6777 -22.6772 -22.0405 -22.0400 -22.0062 -22.0062 -14.2999 -14.2998 -6.7038 -6.7025 -5.8049 -5.8049 -5.5887 -5.5865 -0.7553 -0.7524 1.1401 1.1403 1.2783 1.2854 6.5704 6.5733 7.6876 7.6891 7.7140 7.7146 8.2493 8.2764 8.3203 8.3267 8.6588 8.6713 8.7524 8.7649 9.4357 9.4434 9.5462 9.5483 12.8197 12.8214 13.9628 13.9685 14.0495 14.0558 14.7755 14.7798 k = 0.4125-0.0010-0.0010 ( 2758 PWs) bands (ev): -45.9483 -45.9483 -22.6780 -22.6776 -22.0412 -22.0407 -22.0062 -22.0062 -14.2972 -14.2971 -6.7113 -6.7101 -5.8042 -5.8041 -5.5789 -5.5769 -0.7507 -0.7481 1.1445 1.1446 1.2865 1.2928 6.5359 6.5383 7.6754 7.6768 7.6992 7.6996 8.2372 8.2629 8.3058 8.3099 8.6479 8.6599 8.7417 8.7525 9.4252 9.4315 9.5375 9.5392 12.8231 12.8245 13.9950 14.0001 14.0816 14.0874 14.7739 14.7779 k = 0.4250-0.0011-0.0011 ( 2757 PWs) bands (ev): -45.9483 -45.9483 -22.6783 -22.6780 -22.0418 -22.0414 -22.0061 -22.0061 -14.2949 -14.2948 -6.7179 -6.7169 -5.8035 -5.8035 -5.5701 -5.5684 -0.7467 -0.7444 1.1484 1.1485 1.2937 1.2993 6.5056 6.5077 7.6645 7.6658 7.6862 7.6863 8.2269 8.2505 8.2930 8.2952 8.6386 8.6498 8.7330 8.7421 9.4160 9.4211 9.5298 9.5313 12.8260 12.8272 14.0235 14.0279 14.1100 14.1152 14.7724 14.7760 k = 0.4375-0.0011-0.0011 ( 2760 PWs) bands (ev): -45.9483 -45.9483 -22.6786 -22.6783 -22.0423 -22.0420 -22.0061 -22.0061 -14.2928 -14.2928 -6.7236 -6.7227 -5.8029 -5.8029 -5.5625 -5.5610 -0.7432 -0.7413 1.1517 1.1518 1.3000 1.3047 6.4797 6.4815 7.6552 7.6563 7.6750 7.6750 8.2183 8.2392 8.2819 8.2827 8.6310 8.6409 8.7260 8.7335 9.4081 9.4123 9.5234 9.5246 12.8285 12.8295 14.0479 14.0517 14.1346 14.1390 14.7710 14.7742 k = 0.4500-0.0011-0.0011 ( 2756 PWs) bands (ev): -45.9483 -45.9483 -22.6788 -22.6785 -22.0427 -22.0425 -22.0061 -22.0061 -14.2912 -14.2911 -6.7283 -6.7276 -5.8024 -5.8024 -5.5561 -5.5550 -0.7403 -0.7387 1.1545 1.1546 1.3053 1.3091 6.4584 6.4598 7.6475 7.6484 7.6656 7.6657 8.2116 8.2292 8.2726 8.2726 8.6250 8.6333 8.7207 8.7266 9.4017 9.4049 9.5180 9.5190 12.8306 12.8314 14.0683 14.0713 14.1550 14.1587 14.7699 14.7725 k = 0.4625-0.0012-0.0012 ( 2752 PWs) bands (ev): -45.9483 -45.9483 -22.6789 -22.6787 -22.0430 -22.0428 -22.0060 -22.0060 -14.2898 -14.2898 -6.7320 -6.7315 -5.8021 -5.8021 -5.5511 -5.5502 -0.7380 -0.7368 1.1566 1.1567 1.3096 1.3125 6.4418 6.4428 7.6414 7.6421 7.6583 7.6585 8.2069 8.2206 8.2648 8.2653 8.6207 8.6272 8.7168 8.7212 9.3968 9.3991 9.5139 9.5146 12.8323 12.8329 14.0843 14.0866 14.1712 14.1741 14.7690 14.7710 k = 0.4750-0.0012-0.0012 ( 2754 PWs) bands (ev): -45.9482 -45.9482 -22.6790 -22.6789 -22.0433 -22.0431 -22.0060 -22.0060 -14.2889 -14.2889 -6.7346 -6.7343 -5.8018 -5.8018 -5.5474 -5.5468 -0.7362 -0.7354 1.1582 1.1583 1.3128 1.3148 6.4298 6.4305 7.6371 7.6375 7.6531 7.6532 8.2042 8.2135 8.2594 8.2599 8.6180 8.6224 8.7143 8.7172 9.3933 9.3948 9.5110 9.5115 12.8335 12.8339 14.0960 14.0975 14.1831 14.1850 14.7684 14.7698 k = 0.4875-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9482 -45.9482 -22.6791 -22.6790 -22.0434 -22.0433 -22.0060 -22.0060 -14.2883 -14.2883 -6.7362 -6.7360 -5.8016 -5.8016 -5.5451 -5.5448 -0.7351 -0.7347 1.1592 1.1592 1.3150 1.3159 6.4227 6.4231 7.6345 7.6347 7.6499 7.6500 8.2035 8.2082 8.2563 8.2566 8.6168 8.6190 8.7131 8.7145 9.3914 9.3921 9.5093 9.5095 12.8343 12.8345 14.1032 14.1040 14.1904 14.1914 14.7682 14.7689 k = 0.5000-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9482 -45.9482 -22.6791 -22.6791 -22.0434 -22.0434 -22.0060 -22.0060 -14.2881 -14.2881 -6.7366 -6.7366 -5.8016 -5.8016 -5.5442 -5.5442 -0.7346 -0.7346 1.1595 1.1595 1.3160 1.3160 6.4205 6.4205 7.6337 7.6337 7.6489 7.6489 8.2049 8.2049 8.2554 8.2554 8.6172 8.6172 8.7132 8.7132 9.3910 9.3910 9.5088 9.5088 12.8346 12.8346 14.1058 14.1058 14.1932 14.1932 14.7684 14.7684 k = 0.5000-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9482 -45.9482 -22.6791 -22.6791 -22.0434 -22.0434 -22.0060 -22.0060 -14.2881 -14.2881 -6.7366 -6.7366 -5.8016 -5.8016 -5.5442 -5.5442 -0.7346 -0.7346 1.1595 1.1595 1.3160 1.3160 6.4205 6.4205 7.6337 7.6337 7.6489 7.6489 8.2049 8.2049 8.2554 8.2554 8.6172 8.6172 8.7132 8.7132 9.3910 9.3910 9.5088 9.5088 12.8346 12.8346 14.1058 14.1058 14.1932 14.1932 14.7684 14.7684 k = 0.5000 0.0076-0.0102 ( 2754 PWs) bands (ev): -45.9482 -45.9482 -22.6791 -22.6790 -22.0435 -22.0434 -22.0061 -22.0060 -14.2880 -14.2880 -6.7360 -6.7357 -5.8016 -5.8013 -5.5447 -5.5445 -0.7361 -0.7334 1.1571 1.1618 1.3146 1.3161 6.4199 6.4205 7.6280 7.6353 7.6469 7.6540 8.1859 8.2107 8.2339 8.2634 8.6102 8.6398 8.7020 8.7357 9.3741 9.3898 9.5061 9.5227 12.8346 12.8369 14.1050 14.1063 14.1927 14.1939 14.7716 14.7726 k = 0.5000 0.0165-0.0191 ( 2752 PWs) bands (ev): -45.9482 -45.9482 -22.6792 -22.6790 -22.0435 -22.0434 -22.0063 -22.0061 -14.2877 -14.2877 -6.7338 -6.7333 -5.8014 -5.8007 -5.5459 -5.5455 -0.7379 -0.7326 1.1545 1.1639 1.3119 1.3149 6.4188 6.4199 7.6211 7.6307 7.6503 7.6593 8.1546 8.1948 8.2098 8.2601 8.6190 8.6730 8.7046 8.7672 9.3461 9.3703 9.5148 9.5407 12.8368 12.8413 14.1038 14.1063 14.1924 14.1946 14.7823 14.7843 k = 0.5000 0.0254-0.0280 ( 2750 PWs) bands (ev): -45.9482 -45.9482 -22.6793 -22.6791 -22.0436 -22.0434 -22.0065 -22.0062 -14.2871 -14.2871 -6.7301 -6.7294 -5.8009 -5.7998 -5.5479 -5.5472 -0.7401 -0.7322 1.1518 1.1657 1.3080 1.3125 6.4171 6.4189 7.6132 7.6235 7.6552 7.6645 8.1131 8.1493 8.1966 8.2486 8.6405 8.7029 8.7295 8.8053 9.3117 9.3393 9.5281 9.5582 12.8414 12.8481 14.1025 14.1060 14.1922 14.1955 14.8002 14.8032 k = 0.5000 0.0343-0.0369 ( 2750 PWs) bands (ev): -45.9482 -45.9482 -22.6795 -22.6792 -22.0437 -22.0434 -22.0069 -22.0064 -14.2863 -14.2863 -6.7249 -6.7240 -5.8001 -5.7986 -5.5505 -5.5496 -0.7426 -0.7321 1.1487 1.1672 1.3029 1.3088 6.4150 6.4172 7.6043 7.6151 7.6602 7.6694 8.0639 8.0953 8.1800 8.2316 8.6707 8.7267 8.7741 8.8476 9.2732 9.3022 9.5411 9.5732 12.8486 12.8572 14.1010 14.1054 14.1923 14.1963 14.8251 14.8290 k = 0.5000 0.0432-0.0458 ( 2748 PWs) bands (ev): -45.9482 -45.9482 -22.6797 -22.6793 -22.0439 -22.0435 -22.0073 -22.0067 -14.2853 -14.2852 -6.7182 -6.7170 -5.7991 -5.7972 -5.5538 -5.5527 -0.7456 -0.7325 1.1452 1.1683 1.2968 1.3041 6.4123 6.4151 7.5942 7.6056 7.6649 7.6738 8.0095 8.0366 8.1609 8.2116 8.7067 8.7549 8.8235 8.8924 9.2319 9.2612 9.5517 9.5847 12.8584 12.8690 14.0997 14.1047 14.1927 14.1972 14.8567 14.8614 k = 0.5000 0.0520-0.0547 ( 2748 PWs) bands (ev): -45.9482 -45.9482 -22.6800 -22.6795 -22.0440 -22.0436 -22.0078 -22.0071 -14.2840 -14.2840 -6.7100 -6.7086 -5.7977 -5.7955 -5.5578 -5.5564 -0.7490 -0.7334 1.1411 1.1685 1.2899 1.2985 6.4092 6.4126 7.5825 7.5948 7.6691 7.6778 7.9517 7.9758 8.1406 8.1900 8.7465 8.7880 8.8738 8.9381 9.1885 9.2180 9.5589 9.5924 12.8713 12.8836 14.0987 14.1041 14.1933 14.1983 14.8945 14.9000 k = 0.5000 0.0609-0.0636 ( 2750 PWs) bands (ev): -45.9482 -45.9482 -22.6803 -22.6797 -22.0442 -22.0437 -22.0084 -22.0075 -14.2825 -14.2825 -6.7004 -6.6988 -5.7961 -5.7936 -5.5623 -5.5608 -0.7529 -0.7348 1.1362 1.1677 1.2824 1.2921 6.4058 6.4096 7.5687 7.5822 7.6728 7.6811 7.8922 7.9147 8.1200 8.1680 8.7889 8.8249 8.9233 8.9833 9.1443 9.1739 9.5623 9.5959 12.8872 12.9011 14.0980 14.1037 14.1942 14.1994 14.9382 14.9444 k = 0.5000 0.0698-0.0725 ( 2750 PWs) bands (ev): -45.9481 -45.9481 -22.6806 -22.6800 -22.0444 -22.0439 -22.0090 -22.0081 -14.2809 -14.2808 -6.6893 -6.6874 -5.7943 -5.7914 -5.5674 -5.5656 -0.7574 -0.7368 1.1304 1.1654 1.2747 1.2851 6.4019 6.4062 7.5520 7.5671 7.6757 7.6836 7.8329 7.8551 8.0998 8.1464 8.8327 8.8644 8.9699 9.0245 9.1013 9.1326 9.5620 9.5953 12.9065 12.9218 14.0979 14.1037 14.1955 14.2009 14.9872 14.9941 k = 0.5000 0.0787-0.0814 ( 2752 PWs) bands (ev): -45.9481 -45.9481 -22.6810 -22.6803 -22.0447 -22.0440 -22.0097 -22.0087 -14.2790 -14.2789 -6.6767 -6.6747 -5.7922 -5.7890 -5.5730 -5.5710 -0.7624 -0.7395 1.1233 1.1611 1.2673 1.2776 6.3978 6.4025 7.5315 7.5485 7.6777 7.6851 7.7757 7.7987 8.0804 8.1256 8.8766 8.9044 9.0042 9.0427 9.0724 9.1122 9.5580 9.5909 12.9292 12.9458 14.0983 14.1041 14.1973 14.2026 15.0412 15.0485 k = 0.5000 0.0876-0.0903 ( 2752 PWs) bands (ev): -45.9481 -45.9481 -22.6814 -22.6806 -22.0449 -22.0442 -22.0105 -22.0094 -14.2769 -14.2769 -6.6628 -6.6605 -5.7898 -5.7863 -5.5789 -5.5768 -0.7682 -0.7430 1.1147 1.1543 1.2605 1.2699 6.3935 6.3986 7.5059 7.5245 7.6785 7.6854 7.7232 7.7474 8.0620 8.1060 8.9157 8.9359 9.0005 9.0191 9.0894 9.1382 9.5506 9.5827 12.9555 12.9731 14.0994 14.1051 14.1996 14.2049 15.0996 15.1074 k = 0.5000 0.0965-0.0992 ( 2742 PWs) bands (ev): -45.9481 -45.9481 -22.6818 -22.6810 -22.0451 -22.0443 -22.0113 -22.0101 -14.2746 -14.2746 -6.6475 -6.6450 -5.7872 -5.7833 -5.5853 -5.5829 -0.7747 -0.7473 1.1044 1.1448 1.2545 1.2622 6.3891 6.3945 7.4742 7.4933 7.6766 7.6775 7.6853 7.7032 8.0450 8.0878 8.9208 8.9288 9.0106 9.0166 9.1292 9.1780 9.5402 9.5714 12.9853 13.0037 14.1013 14.1068 14.2025 14.2077 15.1620 15.1703 k = 0.5000 0.1053-0.1081 ( 2744 PWs) bands (ev): -45.9480 -45.9480 -22.6823 -22.6814 -22.0454 -22.0446 -22.0123 -22.0109 -14.2721 -14.2721 -6.6308 -6.6282 -5.7844 -5.7802 -5.5919 -5.5894 -0.7821 -0.7525 1.0923 1.1325 1.2490 1.2545 6.3845 6.3902 7.4362 7.4541 7.6408 7.6620 7.6771 7.6832 8.0292 8.0710 8.8799 8.8949 9.0437 9.0584 9.1719 9.2191 9.5273 9.5573 13.0186 13.0377 14.1039 14.1092 14.2061 14.2111 15.2281 15.2367 k = 0.5000 0.1142-0.1170 ( 2742 PWs) bands (ev): -45.9480 -45.9480 -22.6828 -22.6818 -22.0457 -22.0448 -22.0132 -22.0118 -14.2695 -14.2695 -6.6129 -6.6100 -5.7813 -5.7768 -5.5987 -5.5960 -0.7902 -0.7586 1.0783 1.1174 1.2434 1.2475 6.3799 6.3858 7.3929 7.4083 7.6119 7.6315 7.6725 7.6784 8.0148 8.0556 8.8332 8.8491 9.0892 9.1051 9.2141 9.2596 9.5124 9.5410 13.0553 13.0749 14.1074 14.1125 14.2105 14.2154 15.2974 15.3063 k = 0.5000 0.1231-0.1259 ( 2740 PWs) bands (ev): -45.9479 -45.9479 -22.6834 -22.6823 -22.0460 -22.0450 -22.0143 -22.0127 -14.2667 -14.2666 -6.5937 -6.5906 -5.7780 -5.7732 -5.6057 -5.6028 -0.7993 -0.7656 1.0623 1.1000 1.2362 1.2421 6.3754 6.3814 7.3464 7.3587 7.5884 7.6049 7.6664 7.6719 8.0017 8.0417 8.7855 8.8006 9.1375 9.1534 9.2552 9.2990 9.4965 9.5234 13.0952 13.1151 14.1118 14.1166 14.2157 14.2204 15.3696 15.3786 k = 0.5000 0.1320-0.1349 ( 2744 PWs) bands (ev): -45.9479 -45.9479 -22.6839 -22.6828 -22.0463 -22.0453 -22.0154 -22.0137 -14.2637 -14.2637 -6.5732 -6.5700 -5.7745 -5.7694 -5.6127 -5.6097 -0.8093 -0.7738 1.0445 1.0804 1.2279 1.2371 6.3709 6.3770 7.2986 7.3079 7.5680 7.5815 7.6582 7.6634 7.9898 8.0291 8.7378 8.7516 9.1867 9.2024 9.2949 9.3366 9.4804 9.5051 13.1380 13.1583 14.1172 14.1217 14.2218 14.2264 15.4443 15.4535 k = 0.5000 0.1409-0.1438 ( 2746 PWs) bands (ev): -45.9479 -45.9479 -22.6846 -22.6834 -22.0466 -22.0456 -22.0165 -22.0148 -14.2606 -14.2606 -6.5516 -6.5482 -5.7708 -5.7655 -5.6197 -5.6166 -0.8203 -0.7829 1.0249 1.0590 1.2187 1.2318 6.3666 6.3726 7.2512 7.2579 7.5491 7.5601 7.6477 7.6527 7.9788 8.0176 8.6906 8.7028 9.2361 9.2517 9.3330 9.3718 9.4658 9.4873 13.1837 13.2040 14.1235 14.1278 14.2289 14.2333 15.5212 15.5305 k = 0.5000 0.1498-0.1527 ( 2746 PWs) bands (ev): -45.9478 -45.9478 -22.6852 -22.6840 -22.0470 -22.0459 -22.0177 -22.0159 -14.2573 -14.2573 -6.5289 -6.5253 -5.7669 -5.7613 -5.6267 -5.6234 -0.8323 -0.7932 1.0037 1.0360 1.2086 1.2256 6.3625 6.3683 7.2056 7.2099 7.5308 7.5395 7.6350 7.6397 7.9686 8.0071 8.6441 8.6546 9.2853 9.3009 9.3690 9.4011 9.4561 9.4720 13.2318 13.2521 14.1308 14.1349 14.2369 14.2412 15.5999 15.6093 k = 0.5000 0.1586-0.1616 ( 2750 PWs) bands (ev): -45.9478 -45.9478 -22.6858 -22.6846 -22.0474 -22.0462 -22.0190 -22.0171 -14.2539 -14.2539 -6.5050 -6.5013 -5.7628 -5.7570 -5.6335 -5.6301 -0.8452 -0.8046 0.9809 1.0116 1.1974 1.2180 6.3585 6.3640 7.1625 7.1649 7.5122 7.5194 7.6199 7.6246 7.9591 7.9974 8.5985 8.6071 9.3338 9.3497 9.3995 9.4153 9.4535 9.4714 13.2820 13.3023 14.1393 14.1430 14.2460 14.2501 15.6802 15.6896 k = 0.5000 0.1675-0.1705 ( 2750 PWs) bands (ev): -45.9477 -45.9477 -22.6865 -22.6852 -22.0477 -22.0465 -22.0202 -22.0183 -14.2504 -14.2504 -6.4802 -6.4764 -5.7586 -5.7526 -5.6401 -5.6366 -0.8592 -0.8171 0.9569 0.9861 1.1848 1.2088 6.3547 6.3598 7.1224 7.1241 7.4926 7.4992 7.6026 7.6073 7.9501 7.9885 8.5538 8.5606 9.3806 9.3968 9.4071 9.4239 9.4589 9.4961 13.3342 13.3543 14.1488 14.1523 14.2560 14.2600 15.7618 15.7711 k = 0.5000 0.1764-0.1794 ( 2750 PWs) bands (ev): -45.9477 -45.9477 -22.6872 -22.6858 -22.0481 -22.0469 -22.0215 -22.0195 -14.2468 -14.2468 -6.4544 -6.4504 -5.7542 -5.7480 -5.6464 -5.6428 -0.8742 -0.8307 0.9317 0.9595 1.1706 1.1979 6.3510 6.3556 7.0853 7.0883 7.4715 7.4787 7.5832 7.5882 7.9414 7.9801 8.5101 8.5150 9.3984 9.4161 9.4330 9.4456 9.4862 9.5273 13.3879 13.4078 14.1594 14.1627 14.2670 14.2709 15.8444 15.8536 k = 0.5000 0.1853-0.1883 ( 2750 PWs) bands (ev): -45.9476 -45.9476 -22.6879 -22.6865 -22.0485 -22.0472 -22.0229 -22.0208 -14.2431 -14.2431 -6.4277 -6.4236 -5.7496 -5.7432 -5.6523 -5.6487 -0.8902 -0.8454 0.9054 0.9321 1.1546 1.1849 6.3475 6.3515 7.0524 7.0574 7.4486 7.4572 7.5620 7.5675 7.9332 7.9723 8.4674 8.4704 9.3948 9.4126 9.4759 9.4901 9.5197 9.5598 13.4429 13.4624 14.1711 14.1742 14.2790 14.2828 15.9276 15.9368 k = 0.5000 0.1942-0.1972 ( 2750 PWs) bands (ev): -45.9476 -45.9476 -22.6886 -22.6872 -22.0488 -22.0476 -22.0242 -22.0221 -14.2394 -14.2393 -6.4002 -6.3960 -5.7450 -5.7384 -5.6578 -5.6542 -0.9071 -0.8611 0.8783 0.9039 1.1367 1.1696 6.3440 6.3473 7.0241 7.0314 7.4239 7.4344 7.5392 7.5453 7.9252 7.9650 8.4256 8.4271 9.3939 9.4101 9.5191 9.5306 9.5568 9.5930 13.4988 13.5180 14.1840 14.1869 14.2919 14.2957 16.0113 16.0204 k = 0.5000 0.2031-0.2061 ( 2746 PWs) bands (ev): -45.9475 -45.9475 -22.6893 -22.6878 -22.0492 -22.0479 -22.0256 -22.0234 -14.2355 -14.2355 -6.3719 -6.3676 -5.7402 -5.7335 -5.6629 -5.6592 -0.9249 -0.8779 0.8504 0.8750 1.1167 1.1521 6.3404 6.3431 7.0006 7.0104 7.3973 7.4098 7.5151 7.5221 7.9175 7.9581 8.3844 8.3857 9.3968 9.4113 9.5600 9.5661 9.5976 9.6270 13.5553 13.5741 14.1980 14.2007 14.3058 14.3095 16.0951 16.1041 k = 0.5000 0.2119-0.2150 ( 2758 PWs) bands (ev): -45.9475 -45.9475 -22.6901 -22.6886 -22.0496 -22.0483 -22.0271 -22.0249 -14.2316 -14.2316 -6.3429 -6.3385 -5.7354 -5.7285 -5.6675 -5.6638 -0.9437 -0.8956 0.8219 0.8456 1.0945 1.1322 6.3367 6.3388 6.9821 6.9945 7.3687 7.3832 7.4900 7.4981 7.9100 7.9517 8.3439 8.3464 9.4037 9.4167 9.5965 9.6000 9.6401 9.6620 13.6123 13.6306 14.2132 14.2157 14.3206 14.3242 16.1787 16.1876 k = 0.5000 0.2208-0.2239 ( 2746 PWs) bands (ev): -45.9474 -45.9474 -22.6908 -22.6893 -22.0500 -22.0486 -22.0284 -22.0262 -14.2277 -14.2277 -6.3133 -6.3088 -5.7305 -5.7235 -5.6714 -5.6678 -0.9632 -0.9143 0.7929 0.8158 1.0701 1.1099 6.3327 6.3343 6.9685 6.9838 7.3383 7.3549 7.4639 7.4735 7.9028 7.9456 8.3050 8.3089 9.4149 9.4264 9.6274 9.6347 9.6825 9.6981 13.6693 13.6872 14.2294 14.2318 14.3362 14.3398 16.2618 16.2705 k = 0.5000 0.2297-0.2328 ( 2746 PWs) bands (ev): -45.9473 -45.9473 -22.6916 -22.6900 -22.0504 -22.0490 -22.0299 -22.0276 -14.2237 -14.2237 -6.2832 -6.2786 -5.7256 -5.7185 -5.6748 -5.6712 -0.9836 -0.9339 0.7636 0.7857 1.0436 1.0851 6.3282 6.3297 6.9594 6.9779 7.3066 7.3252 7.4369 7.4482 7.8958 7.9398 8.2683 8.2734 9.4301 9.4403 9.6565 9.6674 9.7240 9.7349 13.7262 13.7435 14.2467 14.2489 14.3526 14.3561 16.3441 16.3527 k = 0.5000 0.2386-0.2417 ( 2744 PWs) bands (ev): -45.9473 -45.9473 -22.6923 -22.6908 -22.0508 -22.0494 -22.0313 -22.0290 -14.2198 -14.2197 -6.2526 -6.2480 -5.7207 -5.7135 -5.6774 -5.6740 -1.0046 -0.9543 0.7339 0.7554 1.0149 1.0580 6.3231 6.3249 6.9545 6.9764 7.2741 7.2948 7.4089 7.4223 7.8889 7.9341 8.2340 8.2403 9.4493 9.4582 9.6848 9.6981 9.7645 9.7719 13.7827 13.7995 14.2651 14.2671 14.3697 14.3732 16.4252 16.4337 k = 0.5000 0.2475-0.2506 ( 2740 PWs) bands (ev): -45.9472 -45.9472 -22.6931 -22.6915 -22.0511 -22.0498 -22.0327 -22.0304 -14.2158 -14.2157 -6.2216 -6.2170 -5.7158 -5.7085 -5.6794 -5.6761 -1.0263 -0.9755 0.7042 0.7251 0.9841 1.0285 6.3174 6.3196 6.9530 6.9786 7.2418 7.2647 7.3798 7.3957 7.8821 7.9286 8.2027 8.2100 9.4720 9.4798 9.7124 9.7272 9.8036 9.8086 13.8385 13.8548 14.2844 14.2862 14.3875 14.3910 16.5046 16.5130 k = 0.5000 0.2564-0.2595 ( 2738 PWs) bands (ev): -45.9472 -45.9472 -22.6938 -22.6923 -22.0515 -22.0502 -22.0341 -22.0318 -14.2118 -14.2118 -6.1904 -6.1857 -5.7111 -5.7038 -5.6805 -5.6775 -1.0486 -0.9973 0.6744 0.6947 0.9514 0.9970 6.3112 6.3138 6.9535 6.9829 7.2112 7.2363 7.3494 7.3685 7.8753 7.9231 8.1747 8.1828 9.4982 9.5049 9.7396 9.7551 9.8413 9.8446 13.8936 13.9093 14.3046 14.3062 14.4058 14.4093 16.5819 16.5904 k = 0.5000 0.2652-0.2684 ( 2742 PWs) bands (ev): -45.9471 -45.9471 -22.6946 -22.6930 -22.0519 -22.0506 -22.0355 -22.0332 -14.2078 -14.2078 -6.1589 -6.1543 -5.7067 -5.6992 -5.6807 -5.6780 -1.0713 -1.0198 0.6447 0.6644 0.9168 0.9634 6.3044 6.3073 6.9544 6.9869 7.1844 7.2117 7.3178 7.3408 7.8686 7.9175 8.1503 8.1591 9.5273 9.5331 9.7662 9.7821 9.8774 9.8795 13.9476 13.9627 14.3256 14.3271 14.4247 14.4281 16.6565 16.6651 k = 0.5000 0.2741-0.2774 ( 2748 PWs) bands (ev): -45.9471 -45.9471 -22.6954 -22.6938 -22.0523 -22.0510 -22.0369 -22.0346 -14.2039 -14.2039 -6.1274 -6.1227 -5.7025 -5.6951 -5.6800 -5.6776 -1.0945 -1.0429 0.6152 0.6343 0.8807 0.9280 6.2970 6.3001 6.9531 6.9870 7.1643 7.1935 7.2848 7.3134 7.8621 7.9119 8.1297 8.1388 9.5590 9.5641 9.7926 9.8085 9.9119 9.9132 14.0005 14.0149 14.3474 14.3487 14.4440 14.4474 16.7278 16.7368 k = 0.5000 0.2830-0.2863 ( 2748 PWs) bands (ev): -45.9470 -45.9470 -22.6961 -22.6946 -22.0527 -22.0514 -22.0383 -22.0360 -14.2000 -14.2000 -6.0959 -6.0912 -5.6988 -5.6914 -5.6785 -5.6759 -1.1180 -1.0663 0.5860 0.6045 0.8432 0.8911 6.2888 6.2921 6.9471 6.9793 7.1524 7.1849 7.2506 7.2879 7.8558 7.9063 8.1128 8.1221 9.5930 9.5973 9.8187 9.8344 9.9446 9.9458 14.0520 14.0658 14.3698 14.3711 14.4636 14.4670 16.7951 16.8046 k = 0.5000 0.2919-0.2952 ( 2744 PWs) bands (ev): -45.9470 -45.9470 -22.6968 -22.6953 -22.0530 -22.0518 -22.0397 -22.0374 -14.1962 -14.1962 -6.0644 -6.0598 -5.6954 -5.6881 -5.6762 -5.6731 -1.1417 -1.0902 0.5571 0.5752 0.8046 0.8528 6.2799 6.2831 6.9348 6.9627 7.1454 7.1885 7.2154 7.2680 7.8501 7.9012 8.0996 8.1087 9.6290 9.6326 9.8445 9.8599 9.9756 9.9770 14.1020 14.1151 14.3929 14.3939 14.4835 14.4868 16.8575 16.8678 k = 0.5000 0.3008-0.3041 ( 2748 PWs) bands (ev): -45.9469 -45.9469 -22.6976 -22.6961 -22.0534 -22.0522 -22.0410 -22.0387 -14.1925 -14.1925 -6.0332 -6.0287 -5.6922 -5.6852 -5.6731 -5.6694 -1.1655 -1.1143 0.5288 0.5462 0.7651 0.8134 6.2700 6.2732 6.9166 6.9393 7.1349 7.1783 7.2045 7.2597 7.8451 7.8966 8.0896 8.0984 9.6665 9.6695 9.8703 9.8852 10.0049 10.0067 14.1503 14.1627 14.4164 14.4173 14.5036 14.5068 16.9141 16.9255 k = 0.5000 0.3097-0.3130 ( 2746 PWs) bands (ev): -45.9469 -45.9469 -22.6983 -22.6968 -22.0538 -22.0525 -22.0423 -22.0401 -14.1888 -14.1888 -6.0023 -5.9978 -5.6891 -5.6823 -5.6693 -5.6653 -1.1894 -1.1387 0.5010 0.5179 0.7250 0.7732 6.2592 6.2623 6.8944 6.9124 7.1155 7.1415 7.2276 7.2669 7.8412 7.8930 8.0825 8.0909 9.7053 9.7077 9.8958 9.9102 10.0327 10.0349 14.1968 14.2086 14.4403 14.4411 14.5238 14.5269 16.9639 16.9768 k = 0.5000 0.3185-0.3219 ( 2740 PWs) bands (ev): -45.9468 -45.9468 -22.6989 -22.6975 -22.0541 -22.0529 -22.0435 -22.0413 -14.1852 -14.1852 -5.9717 -5.9674 -5.6859 -5.6794 -5.6651 -5.6610 -1.2132 -1.1631 0.4739 0.4902 0.6846 0.7325 6.2474 6.2503 6.8699 6.8843 7.0883 7.1042 7.2556 7.2873 7.8385 7.8908 8.0778 8.0857 9.7449 9.7468 9.9213 9.9351 10.0589 10.0615 14.2414 14.2525 14.4645 14.4651 14.5439 14.5469 17.0057 17.0207 k = 0.5000 0.3274-0.3308 ( 2742 PWs) bands (ev): -45.9467 -45.9467 -22.6996 -22.6982 -22.0544 -22.0533 -22.0447 -22.0426 -14.1818 -14.1818 -5.9417 -5.9375 -5.6825 -5.6762 -5.6608 -5.6565 -1.2369 -1.1875 0.4475 0.4633 0.6442 0.6915 6.2344 6.2371 6.8448 6.8563 7.0567 7.0667 7.2862 7.3160 7.8375 7.8902 8.0751 8.0826 9.7851 9.7866 9.9467 9.9598 10.0836 10.0865 14.2841 14.2943 14.4889 14.4894 14.5639 14.5668 17.0388 17.0562 k = 0.5000 0.3363-0.3397 ( 2748 PWs) bands (ev): -45.9467 -45.9467 -22.7003 -22.6989 -22.0548 -22.0537 -22.0459 -22.0439 -14.1784 -14.1784 -5.9124 -5.9083 -5.6789 -5.6728 -5.6563 -5.6520 -1.2603 -1.2119 0.4220 0.4371 0.6040 0.6506 6.2204 6.2229 6.8201 6.8295 7.0229 7.0294 7.3185 7.3494 7.8383 7.8916 8.0740 8.0812 9.8256 9.8266 9.9720 9.9845 10.1067 10.1100 14.3245 14.3341 14.5134 14.5137 14.5837 14.5865 17.0625 17.0829 k = 0.5000 0.3452-0.3486 ( 2744 PWs) bands (ev): -45.9467 -45.9467 -22.7009 -22.6995 -22.0551 -22.0540 -22.0471 -22.0450 -14.1752 -14.1752 -5.8837 -5.8799 -5.6749 -5.6691 -5.6517 -5.6476 -1.2832 -1.2360 0.3974 0.4119 0.5644 0.6100 6.2054 6.2076 6.7965 6.8042 6.9885 6.9926 7.3516 7.3848 7.8412 7.8950 8.0741 8.0812 9.8660 9.8666 9.9972 10.0090 10.1283 10.1319 14.3628 14.3716 14.5377 14.5380 14.6032 14.6059 17.0769 17.1004 k = 0.5000 0.3541-0.3575 ( 2740 PWs) bands (ev): -45.9466 -45.9466 -22.7014 -22.7002 -22.0553 -22.0543 -22.0481 -22.0462 -14.1721 -14.1721 -5.8559 -5.8523 -5.6708 -5.6652 -5.6472 -5.6432 -1.3057 -1.2598 0.3738 0.3876 0.5255 0.5700 6.1894 6.1914 6.7744 6.7808 6.9540 6.9566 7.3846 7.4206 7.8466 7.9007 8.0753 8.0823 9.9060 9.9064 10.0222 10.0334 10.1485 10.1524 14.3989 14.4068 14.5619 14.5623 14.6224 14.6248 17.0826 17.1092 k = 0.5000 0.3630-0.3664 ( 2746 PWs) bands (ev): -45.9466 -45.9466 -22.7020 -22.7008 -22.0557 -22.0547 -22.0491 -22.0473 -14.1691 -14.1691 -5.8291 -5.8258 -5.6664 -5.6611 -5.6428 -5.6389 -1.3276 -1.2831 0.3512 0.3644 0.4877 0.5308 6.1725 6.1743 6.7541 6.7595 6.9200 6.9218 7.4169 7.4553 7.8545 7.9088 8.0773 8.0843 9.9452 9.9457 10.0471 10.0576 10.1671 10.1714 14.4326 14.4397 14.5857 14.5863 14.6410 14.6433 17.0807 17.1103 k = 0.5000 0.3718-0.3753 ( 2746 PWs) bands (ev): -45.9465 -45.9465 -22.7026 -22.7014 -22.0559 -22.0550 -22.0501 -22.0483 -14.1663 -14.1663 -5.8034 -5.8004 -5.6619 -5.6568 -5.6384 -5.6348 -1.3487 -1.3060 0.3298 0.3422 0.4512 0.4927 6.1550 6.1565 6.7357 6.7403 6.8870 6.8883 7.4477 7.4881 7.8653 7.9191 8.0798 8.0869 9.9833 9.9842 10.0716 10.0816 10.1844 10.1890 14.4639 14.4702 14.6091 14.6098 14.6590 14.6612 17.0728 17.1050 k = 0.5000 0.3807-0.3842 ( 2744 PWs) bands (ev): -45.9465 -45.9465 -22.7031 -22.7020 -22.0562 -22.0553 -22.0510 -22.0493 -14.1636 -14.1636 -5.7788 -5.7762 -5.6573 -5.6524 -5.6341 -5.6308 -1.3689 -1.3281 0.3096 0.3213 0.4163 0.4560 6.1371 6.1384 6.7193 6.7231 6.8552 6.8563 7.4765 7.5180 7.8790 7.9316 8.0828 8.0901 10.0203 10.0216 10.0958 10.1052 10.2003 10.2052 14.4929 14.4984 14.6319 14.6327 14.6763 14.6784 17.0607 17.0949 k = 0.5000 0.3896-0.3931 ( 2750 PWs) bands (ev): -45.9465 -45.9465 -22.7036 -22.7025 -22.0564 -22.0557 -22.0518 -22.0503 -14.1611 -14.1611 -5.7556 -5.7534 -5.6526 -5.6480 -5.6300 -5.6270 -1.3881 -1.3495 0.2907 0.3015 0.3832 0.4208 6.1191 6.1201 6.7047 6.7080 6.8250 6.8261 7.5030 7.5444 7.8956 7.9460 8.0861 8.0935 10.0558 10.0575 10.1195 10.1284 10.2148 10.2201 14.5196 14.5244 14.6539 14.6548 14.6929 14.6948 17.0459 17.0816 k = 0.5000 0.3985-0.4020 ( 2752 PWs) bands (ev): -45.9464 -45.9464 -22.7040 -22.7031 -22.0567 -22.0560 -22.0526 -22.0511 -14.1588 -14.1588 -5.7337 -5.7320 -5.6480 -5.6436 -5.6261 -5.6233 -1.4063 -1.3699 0.2730 0.2831 0.3520 0.3875 6.1012 6.1020 6.6920 6.6948 6.7965 6.7977 7.5268 7.5671 7.9148 7.9621 8.0895 8.0972 10.0895 10.0916 10.1426 10.1510 10.2281 10.2338 14.5440 14.5480 14.6748 14.6759 14.7086 14.7104 17.0298 17.0665 k = 0.5000 0.4074-0.4109 ( 2752 PWs) bands (ev): -45.9464 -45.9464 -22.7044 -22.7035 -22.0569 -22.0563 -22.0533 -22.0519 -14.1566 -14.1566 -5.7134 -5.7123 -5.6435 -5.6392 -5.6222 -5.6198 -1.4232 -1.3893 0.2568 0.2660 0.3230 0.3561 6.0836 6.0843 6.6809 6.6833 6.7700 6.7713 7.5479 7.5862 7.9359 7.9792 8.0930 8.1010 10.1212 10.1237 10.1648 10.1729 10.2400 10.2463 14.5661 14.5695 14.6947 14.6958 14.7234 14.7250 17.0138 17.0510 k = 0.5000 0.4163-0.4198 ( 2752 PWs) bands (ev): -45.9464 -45.9464 -22.7048 -22.7040 -22.0571 -22.0566 -22.0538 -22.0526 -14.1547 -14.1547 -5.6949 -5.6943 -5.6391 -5.6347 -5.6186 -5.6165 -1.4388 -1.4076 0.2419 0.2502 0.2964 0.3268 6.0668 6.0673 6.6713 6.6735 6.7457 6.7470 7.5664 7.6019 7.9584 7.9968 8.0964 8.1048 10.1506 10.1536 10.1860 10.1939 10.2508 10.2576 14.5860 14.5888 14.7132 14.7143 14.7372 14.7387 16.9988 17.0359 k = 0.5000 0.4251-0.4288 ( 2750 PWs) bands (ev): -45.9463 -45.9463 -22.7051 -22.7044 -22.0573 -22.0569 -22.0543 -22.0533 -14.1529 -14.1529 -5.6788 -5.6778 -5.6348 -5.6302 -5.6151 -5.6134 -1.4529 -1.4245 0.2285 0.2359 0.2723 0.2999 6.0509 6.0513 6.6632 6.6650 6.7236 6.7249 7.5824 7.6145 7.9812 8.0144 8.0997 8.1085 10.1775 10.1810 10.2061 10.2137 10.2604 10.2678 14.6038 14.6061 14.7302 14.7313 14.7499 14.7512 16.9857 17.0220 k = 0.5000 0.4340-0.4377 ( 2746 PWs) bands (ev): -45.9463 -45.9463 -22.7054 -22.7047 -22.0575 -22.0572 -22.0547 -22.0538 -14.1513 -14.1513 -5.6651 -5.6631 -5.6307 -5.6255 -5.6119 -5.6105 -1.4655 -1.4401 0.2166 0.2231 0.2508 0.2755 6.0362 6.0365 6.6563 6.6579 6.7038 6.7050 7.5962 7.6245 8.0037 8.0313 8.1028 8.1121 10.2016 10.2056 10.2248 10.2322 10.2688 10.2769 14.6194 14.6213 14.7455 14.7465 14.7615 14.7626 16.9749 17.0098 k = 0.5000 0.4429-0.4466 ( 2746 PWs) bands (ev): -45.9463 -45.9463 -22.7056 -22.7050 -22.0577 -22.0575 -22.0551 -22.0543 -14.1499 -14.1499 -5.6540 -5.6508 -5.6264 -5.6204 -5.6089 -5.6078 -1.4764 -1.4542 0.2063 0.2118 0.2320 0.2537 6.0230 6.0231 6.6506 6.6519 6.6865 6.6876 7.6078 7.6322 8.0250 8.0469 8.1056 8.1154 10.2226 10.2270 10.2421 10.2491 10.2763 10.2851 14.6330 14.6344 14.7591 14.7599 14.7719 14.7728 16.9670 16.9994 k = 0.5000 0.4518-0.4555 ( 2762 PWs) bands (ev): -45.9463 -45.9463 -22.7059 -22.7054 -22.0580 -22.0578 -22.0554 -22.0548 -14.1487 -14.1487 -5.6453 -5.6413 -5.6217 -5.6151 -5.6063 -5.6052 -1.4856 -1.4667 0.1975 0.2019 0.2161 0.2346 6.0113 6.0114 6.6459 6.6470 6.6716 6.6726 7.6176 7.6381 8.0445 8.0608 8.1082 8.1183 10.2402 10.2452 10.2577 10.2640 10.2829 10.2923 14.6445 14.6456 14.7707 14.7713 14.7810 14.7817 16.9621 16.9908 k = 0.5000 0.4607-0.4644 ( 2768 PWs) bands (ev): -45.9463 -45.9463 -22.7061 -22.7057 -22.0581 -22.0581 -22.0556 -22.0551 -14.1477 -14.1477 -5.6390 -5.6350 -5.6164 -5.6099 -5.6039 -5.6028 -1.4930 -1.4775 0.1903 0.1937 0.2032 0.2184 6.0014 6.0014 6.6422 6.6430 6.6592 6.6600 7.6258 7.6423 8.0617 8.0727 8.1104 8.1207 10.2546 10.2599 10.2712 10.2765 10.2890 10.2986 14.6540 14.6549 14.7803 14.7807 14.7889 14.7893 16.9604 16.9835 k = 0.5000 0.4696-0.4733 ( 2784 PWs) bands (ev): -45.9463 -45.9463 -22.7062 -22.7059 -22.0584 -22.0583 -22.0558 -22.0555 -14.1469 -14.1469 -5.6345 -5.6312 -5.6113 -5.6058 -5.6015 -5.6005 -1.4985 -1.4866 0.1848 0.1870 0.1932 0.2050 5.9934 5.9934 6.6393 6.6400 6.6494 6.6501 7.6325 7.6450 8.0759 8.0822 8.1125 8.1224 10.2657 10.2710 10.2822 10.2857 10.2954 10.3038 14.6615 14.6621 14.7878 14.7880 14.7954 14.7956 16.9613 16.9769 k = 0.5000 0.4785-0.4822 ( 2798 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7062 -22.0586 -22.0586 -22.0560 -22.0557 -14.1463 -14.1463 -5.6315 -5.6291 -5.6071 -5.6035 -5.5988 -5.5983 -1.5021 -1.4938 0.1809 0.1820 0.1862 0.1946 5.9874 5.9874 6.6373 6.6377 6.6422 6.6427 7.6378 7.6464 8.0867 8.0893 8.1146 8.1232 10.2738 10.2784 10.2903 10.2917 10.3020 10.3079 14.6670 14.6674 14.7932 14.7933 14.8003 14.8004 16.9638 16.9712 k = 0.5000 0.4873-0.4911 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7063 -22.0587 -22.0587 -22.0560 -22.0559 -14.1460 -14.1460 -5.6294 -5.6282 -5.6044 -5.6026 -5.5966 -5.5965 -1.5038 -1.4991 0.1785 0.1788 0.1824 0.1872 5.9836 5.9836 6.6359 6.6362 6.6377 6.6380 7.6418 7.6466 8.0935 8.0940 8.1171 8.1228 10.2793 10.2822 10.2953 10.2955 10.3073 10.3104 14.6706 14.6708 14.7966 14.7966 14.8035 14.8035 16.9656 16.9671 k = 0.5000 0.4962-0.5000 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6283 -5.6280 -5.6030 -5.6026 -5.5955 -5.5955 -1.5035 -1.5024 0.1774 0.1774 0.1818 0.1829 5.9819 5.9819 6.6351 6.6352 6.6361 6.6361 7.6446 7.6457 8.0962 8.0962 8.1198 8.1212 10.2824 10.2830 10.2974 10.2974 10.3103 10.3110 14.6722 14.6723 14.7980 14.7980 14.8050 14.8050 16.9652 16.9652 k = 0.5025 0.4987 0.4950 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6283 -5.6280 -5.6030 -5.6026 -5.5955 -5.5955 -1.5035 -1.5024 0.1774 0.1774 0.1818 0.1829 5.9819 5.9819 6.6351 6.6352 6.6361 6.6361 7.6446 7.6457 8.0962 8.0962 8.1198 8.1212 10.2824 10.2830 10.2974 10.2974 10.3103 10.3110 14.6722 14.6723 14.7980 14.7980 14.8050 14.8050 16.9652 16.9652 k = 0.5000 0.4987 0.4975 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6281 -5.6281 -5.6027 -5.6027 -5.5955 -5.5955 -1.5030 -1.5030 0.1773 0.1773 0.1822 0.1822 5.9818 5.9818 6.6351 6.6351 6.6360 6.6360 7.6452 7.6452 8.0963 8.0963 8.1205 8.1205 10.2828 10.2828 10.2975 10.2975 10.3108 10.3108 14.6723 14.6723 14.7981 14.7981 14.8050 14.8050 16.9652 16.9652 k = 0.5000 0.4987 0.4975 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6281 -5.6281 -5.6027 -5.6027 -5.5955 -5.5955 -1.5030 -1.5030 0.1773 0.1773 0.1822 0.1822 5.9818 5.9818 6.6351 6.6351 6.6360 6.6360 7.6452 7.6452 8.0963 8.0963 8.1205 8.1205 10.2828 10.2828 10.2975 10.2975 10.3108 10.3108 14.6723 14.6723 14.7981 14.7981 14.8050 14.8050 16.9652 16.9652 k = 0.4926 0.4914 0.4902 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1459 -14.1459 -5.6288 -5.6288 -5.6034 -5.6034 -5.5957 -5.5957 -1.5020 -1.5020 0.1781 0.1781 0.1838 0.1838 5.9831 5.9831 6.6358 6.6358 6.6368 6.6368 7.6447 7.6447 8.0960 8.0961 8.1187 8.1187 10.2813 10.2813 10.2958 10.2959 10.3100 10.3100 14.6715 14.6715 14.7970 14.7972 14.8041 14.8041 16.9673 16.9678 k = 0.4853 0.4841 0.4828 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7063 -22.7063 -22.0586 -22.0586 -22.0559 -22.0559 -14.1462 -14.1462 -5.6308 -5.6308 -5.6054 -5.6054 -5.5963 -5.5963 -1.4990 -1.4990 0.1805 0.1805 0.1887 0.1887 5.9871 5.9871 6.6381 6.6381 6.6390 6.6391 7.6431 7.6431 8.0953 8.0954 8.1133 8.1133 10.2767 10.2767 10.2909 10.2911 10.3078 10.3078 14.6689 14.6689 14.7940 14.7942 14.8011 14.8011 16.9740 16.9756 k = 0.4779 0.4767 0.4755 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7062 -22.7062 -22.0585 -22.0585 -22.0558 -22.0558 -14.1468 -14.1468 -5.6344 -5.6344 -5.6083 -5.6083 -5.5973 -5.5973 -1.4941 -1.4941 0.1845 0.1845 0.1968 0.1968 5.9937 5.9937 6.6419 6.6419 6.6428 6.6430 7.6406 7.6406 8.0941 8.0943 8.1044 8.1044 10.2690 10.2690 10.2829 10.2831 10.3042 10.3042 14.6646 14.6646 14.7890 14.7893 14.7961 14.7961 16.9853 16.9870 k = 0.4706 0.4694 0.4682 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7061 -22.7061 -22.0583 -22.0583 -22.0556 -22.0556 -14.1475 -14.1475 -5.6401 -5.6401 -5.6118 -5.6118 -5.5987 -5.5987 -1.4872 -1.4872 0.1900 0.1900 0.2082 0.2082 6.0030 6.0030 6.6471 6.6471 6.6481 6.6483 7.6369 7.6369 8.0923 8.0923 8.0924 8.0927 10.2581 10.2581 10.2717 10.2720 10.2993 10.2993 14.6586 14.6586 14.7819 14.7825 14.7892 14.7892 17.0008 17.0030 k = 0.4632 0.4621 0.4609 ( 2770 PWs) bands (ev): -45.9463 -45.9463 -22.7057 -22.7057 -22.0580 -22.0580 -22.0552 -22.0552 -14.1485 -14.1485 -5.6480 -5.6480 -5.6156 -5.6155 -5.6006 -5.6006 -1.4785 -1.4785 0.1971 0.1971 0.2227 0.2227 6.0148 6.0148 6.6538 6.6538 6.6549 6.6552 7.6320 7.6320 8.0772 8.0772 8.0903 8.0907 10.2443 10.2443 10.2576 10.2580 10.2933 10.2933 14.6510 14.6510 14.7730 14.7736 14.7803 14.7803 17.0205 17.0233 k = 0.4559 0.4547 0.4536 ( 2746 PWs) bands (ev): -45.9463 -45.9463 -22.7054 -22.7054 -22.0576 -22.0576 -22.0548 -22.0548 -14.1497 -14.1497 -5.6583 -5.6583 -5.6193 -5.6193 -5.6028 -5.6028 -1.4680 -1.4680 0.2057 0.2057 0.2402 0.2402 6.0292 6.0292 6.6620 6.6620 6.6632 6.6636 7.6258 7.6258 8.0596 8.0596 8.0877 8.0882 10.2276 10.2276 10.2408 10.2412 10.2860 10.2860 14.6417 14.6417 14.7620 14.7628 14.7694 14.7694 17.0437 17.0470 k = 0.4485 0.4474 0.4463 ( 2734 PWs) bands (ev): -45.9463 -45.9463 -22.7050 -22.7050 -22.0572 -22.0572 -22.0545 -22.0545 -14.1511 -14.1511 -5.6709 -5.6709 -5.6231 -5.6231 -5.6053 -5.6053 -1.4558 -1.4558 0.2157 0.2158 0.2607 0.2607 6.0461 6.0461 6.6717 6.6717 6.6729 6.6734 7.6181 7.6181 8.0399 8.0399 8.0847 8.0853 10.2082 10.2082 10.2214 10.2219 10.2776 10.2776 14.6308 14.6308 14.7492 14.7501 14.7567 14.7567 17.0703 17.0740 k = 0.4412 0.4401 0.4390 ( 2743 PWs) bands (ev): -45.9463 -45.9463 -22.7047 -22.7047 -22.0569 -22.0569 -22.0541 -22.0541 -14.1527 -14.1527 -5.6855 -5.6855 -5.6269 -5.6269 -5.6083 -5.6083 -1.4420 -1.4420 0.2272 0.2273 0.2841 0.2841 6.0653 6.0653 6.6828 6.6828 6.6841 6.6847 7.6088 7.6088 8.0185 8.0185 8.0812 8.0819 10.1863 10.1863 10.1996 10.2002 10.2681 10.2681 14.6183 14.6183 14.7344 14.7355 14.7420 14.7420 17.0989 17.1033 k = 0.4338 0.4327 0.4316 ( 2743 PWs) bands (ev): -45.9464 -45.9464 -22.7044 -22.7044 -22.0564 -22.0564 -22.0537 -22.0537 -14.1545 -14.1545 -5.7021 -5.7021 -5.6309 -5.6309 -5.6116 -5.6116 -1.4267 -1.4267 0.2401 0.2401 0.3103 0.3103 6.0868 6.0868 6.6953 6.6953 6.6968 6.6974 7.5978 7.5978 7.9962 7.9962 8.0774 8.0782 10.1621 10.1621 10.1757 10.1763 10.2574 10.2574 14.6043 14.6043 14.7178 14.7190 14.7255 14.7255 17.1296 17.1346 k = 0.4265 0.4254 0.4243 ( 2743 PWs) bands (ev): -45.9464 -45.9464 -22.7040 -22.7040 -22.0560 -22.0560 -22.0533 -22.0533 -14.1565 -14.1565 -5.7204 -5.7204 -5.6352 -5.6352 -5.6153 -5.6152 -1.4101 -1.4101 0.2543 0.2544 0.3391 0.3391 6.1106 6.1106 6.7092 6.7092 6.7109 6.7116 7.5848 7.5848 7.9735 7.9735 8.0732 8.0741 10.1360 10.1360 10.1500 10.1507 10.2456 10.2456 14.5888 14.5888 14.6993 14.7006 14.7071 14.7071 17.1614 17.1669 k = 0.4191 0.4181 0.4170 ( 2749 PWs) bands (ev): -45.9464 -45.9464 -22.7035 -22.7035 -22.0555 -22.0555 -22.0528 -22.0528 -14.1588 -14.1588 -5.7402 -5.7402 -5.6396 -5.6396 -5.6192 -5.6192 -1.3922 -1.3922 0.2698 0.2699 0.3703 0.3703 6.1364 6.1364 6.7244 6.7244 6.7263 6.7271 7.5697 7.5697 7.9510 7.9510 8.0687 8.0697 10.1082 10.1082 10.1228 10.1234 10.2327 10.2327 14.5718 14.5718 14.6790 14.6804 14.6870 14.6870 17.1933 17.1993 k = 0.4118 0.4107 0.4097 ( 2749 PWs) bands (ev): -45.9464 -45.9464 -22.7030 -22.7030 -22.0549 -22.0549 -22.0523 -22.0523 -14.1612 -14.1612 -5.7614 -5.7614 -5.6443 -5.6443 -5.6235 -5.6235 -1.3733 -1.3733 0.2865 0.2866 0.4038 0.4038 6.1641 6.1641 6.7410 6.7410 6.7431 6.7440 7.5525 7.5525 7.9295 7.9295 8.0638 8.0650 10.0789 10.0789 10.0942 10.0949 10.2188 10.2188 14.5534 14.5534 14.6569 14.6585 14.6650 14.6650 17.2241 17.2306 k = 0.4044 0.4034 0.4024 ( 2743 PWs) bands (ev): -45.9465 -45.9465 -22.7025 -22.7025 -22.0542 -22.0542 -22.0517 -22.0517 -14.1638 -14.1638 -5.7838 -5.7838 -5.6492 -5.6492 -5.6280 -5.6280 -1.3534 -1.3534 0.3044 0.3044 0.4395 0.4395 6.1936 6.1936 6.7588 6.7588 6.7612 6.7622 7.5332 7.5332 7.9094 7.9094 8.0587 8.0600 10.0484 10.0484 10.0646 10.0653 10.2039 10.2039 14.5335 14.5335 14.6331 14.6348 14.6414 14.6414 17.2529 17.2598 k = 0.3971 0.3961 0.3951 ( 2743 PWs) bands (ev): -45.9465 -45.9465 -22.7019 -22.7019 -22.0536 -22.0536 -22.0510 -22.0510 -14.1667 -14.1667 -5.8073 -5.8073 -5.6543 -5.6543 -5.6328 -5.6328 -1.3326 -1.3326 0.3233 0.3233 0.4770 0.4770 6.2247 6.2247 6.7780 6.7780 6.7806 6.7817 7.5121 7.5121 7.8910 7.8910 8.0534 8.0548 10.0170 10.0170 10.0343 10.0351 10.1880 10.1880 14.5123 14.5123 14.6077 14.6095 14.6161 14.6161 17.2782 17.2854 k = 0.3897 0.3887 0.3877 ( 2746 PWs) bands (ev): -45.9466 -45.9466 -22.7013 -22.7013 -22.0529 -22.0529 -22.0504 -22.0504 -14.1697 -14.1697 -5.8317 -5.8317 -5.6596 -5.6596 -5.6378 -5.6378 -1.3112 -1.3112 0.3432 0.3432 0.5162 0.5162 6.2571 6.2571 6.7983 6.7983 6.8013 6.8025 7.4896 7.4896 7.8748 7.8748 8.0479 8.0495 9.9850 9.9850 10.0036 10.0043 10.1711 10.1711 14.4897 14.4897 14.5805 14.5824 14.5891 14.5891 17.2989 17.3062 k = 0.3824 0.3814 0.3804 ( 2746 PWs) bands (ev): -45.9466 -45.9466 -22.7007 -22.7007 -22.0522 -22.0522 -22.0497 -22.0497 -14.1729 -14.1729 -5.8568 -5.8568 -5.6651 -5.6651 -5.6431 -5.6430 -1.2892 -1.2892 0.3639 0.3640 0.5568 0.5568 6.2905 6.2905 6.8199 6.8199 6.8232 6.8245 7.4663 7.4663 7.8607 7.8607 8.0423 8.0440 9.9526 9.9526 9.9727 9.9734 10.1534 10.1534 14.4657 14.4657 14.5518 14.5538 14.5606 14.5606 17.3134 17.3209 k = 0.3750 0.3741 0.3731 ( 2740 PWs) bands (ev): -45.9467 -45.9467 -22.7000 -22.7000 -22.0514 -22.0514 -22.0489 -22.0489 -14.1763 -14.1763 -5.8826 -5.8826 -5.6707 -5.6707 -5.6485 -5.6485 -1.2668 -1.2668 0.3855 0.3856 0.5987 0.5987 6.3245 6.3245 6.8425 6.8425 6.8462 6.8476 7.4430 7.4430 7.8487 7.8487 8.0367 8.0386 9.9201 9.9201 9.9419 9.9426 10.1348 10.1348 14.4405 14.4405 14.5215 14.5237 14.5306 14.5306 17.3238 17.3312 k = 0.3676 0.3667 0.3658 ( 2740 PWs) bands (ev): -45.9467 -45.9467 -22.6993 -22.6993 -22.0506 -22.0506 -22.0481 -22.0481 -14.1799 -14.1799 -5.9088 -5.9088 -5.6765 -5.6765 -5.6541 -5.6541 -1.2440 -1.2440 0.4078 0.4079 0.6414 0.6414 6.3589 6.3589 6.8663 6.8663 6.8704 6.8719 7.4206 7.4206 7.8389 7.8389 8.0312 8.0332 9.8877 9.8877 9.9114 9.9121 10.1155 10.1155 14.4139 14.4139 14.4898 14.4921 14.4991 14.4991 17.3219 17.3285 k = 0.3603 0.3594 0.3585 ( 2743 PWs) bands (ev): -45.9468 -45.9468 -22.6986 -22.6986 -22.0497 -22.0497 -22.0473 -22.0473 -14.1837 -14.1837 -5.9354 -5.9354 -5.6824 -5.6824 -5.6599 -5.6598 -1.2212 -1.2212 0.4308 0.4308 0.6848 0.6848 6.3932 6.3932 6.8911 6.8911 6.8956 6.8973 7.4000 7.4000 7.8311 7.8311 8.0258 8.0280 9.8556 9.8556 9.8815 9.8821 10.0953 10.0953 14.3860 14.3860 14.4567 14.4590 14.4662 14.4662 17.3136 17.3202 k = 0.3529 0.3520 0.3512 ( 2734 PWs) bands (ev): -45.9468 -45.9468 -22.6978 -22.6978 -22.0488 -22.0488 -22.0465 -22.0465 -14.1877 -14.1877 -5.9622 -5.9622 -5.6884 -5.6884 -5.6657 -5.6657 -1.1982 -1.1982 0.4542 0.4543 0.7285 0.7285 6.4269 6.4269 6.9169 6.9169 6.9219 6.9237 7.3824 7.3824 7.8252 7.8252 8.0206 8.0230 9.8241 9.8241 9.8523 9.8530 10.0745 10.0745 14.3569 14.3569 14.4222 14.4247 14.4320 14.4320 17.2980 17.3041 k = 0.3456 0.3447 0.3438 ( 2728 PWs) bands (ev): -45.9469 -45.9469 -22.6970 -22.6970 -22.0478 -22.0478 -22.0456 -22.0456 -14.1918 -14.1918 -5.9891 -5.9891 -5.6945 -5.6945 -5.6717 -5.6717 -1.1753 -1.1753 0.4781 0.4782 0.7722 0.7722 6.4594 6.4594 6.9436 6.9436 6.9491 6.9511 7.3688 7.3688 7.8211 7.8211 8.0157 8.0184 9.7934 9.7934 9.8242 9.8248 10.0531 10.0531 14.3265 14.3265 14.3864 14.3890 14.3966 14.3966 17.2749 17.2804 k = 0.3382 0.3374 0.3365 ( 2740 PWs) bands (ev): -45.9469 -45.9469 -22.6962 -22.6962 -22.0469 -22.0469 -22.0447 -22.0447 -14.1961 -14.1961 -6.0160 -6.0160 -5.7006 -5.7006 -5.6778 -5.6778 -1.1526 -1.1526 0.5022 0.5023 0.8157 0.8157 6.4902 6.4902 6.9712 6.9712 6.9773 6.9794 7.3602 7.3602 7.8187 7.8187 8.0113 8.0142 9.7636 9.7636 9.7972 9.7977 10.0311 10.0311 14.2948 14.2948 14.3494 14.3521 14.3599 14.3599 17.2450 17.2498 k = 0.3309 0.3300 0.3292 ( 2743 PWs) bands (ev): -45.9470 -45.9470 -22.6954 -22.6954 -22.0460 -22.0460 -22.0438 -22.0438 -14.2005 -14.2005 -6.0427 -6.0427 -5.7068 -5.7068 -5.6839 -5.6839 -1.1302 -1.1302 0.5266 0.5267 0.8586 0.8586 6.5188 6.5188 6.9996 6.9996 7.0063 7.0086 7.3577 7.3577 7.8179 7.8179 8.0075 8.0106 9.7350 9.7350 9.7715 9.7720 10.0085 10.0085 14.2620 14.2620 14.3112 14.3140 14.3222 14.3222 17.2089 17.2130 k = 0.3235 0.3227 0.3219 ( 2734 PWs) bands (ev): -45.9470 -45.9470 -22.6945 -22.6945 -22.0450 -22.0449 -22.0428 -22.0428 -14.2051 -14.2051 -6.0691 -6.0691 -5.7129 -5.7129 -5.6901 -5.6900 -1.1083 -1.1083 0.5511 0.5512 0.9007 0.9007 6.5450 6.5450 7.0288 7.0288 7.0361 7.0386 7.3619 7.3619 7.8187 7.8187 8.0043 8.0077 9.7077 9.7077 9.7473 9.7478 9.9854 9.9854 14.2279 14.2279 14.2720 14.2749 14.2834 14.2834 17.1674 17.1710 k = 0.3162 0.3154 0.3146 ( 2743 PWs) bands (ev): -45.9471 -45.9471 -22.6936 -22.6936 -22.0440 -22.0440 -22.0419 -22.0419 -14.2099 -14.2099 -6.0953 -6.0953 -5.7190 -5.7190 -5.6962 -5.6962 -1.0868 -1.0868 0.5756 0.5757 0.9416 0.9416 6.5685 6.5685 7.0587 7.0587 7.0667 7.0694 7.3734 7.3734 7.8211 7.8211 8.0019 8.0056 9.6818 9.6818 9.7247 9.7251 9.9620 9.9620 14.1927 14.1927 14.2318 14.2348 14.2436 14.2437 17.1211 17.1235 k = 0.3088 0.3080 0.3073 ( 2743 PWs) bands (ev): -45.9472 -45.9472 -22.6927 -22.6927 -22.0429 -22.0429 -22.0409 -22.0409 -14.2148 -14.2148 -6.1209 -6.1209 -5.7251 -5.7251 -5.7024 -5.7024 -1.0659 -1.0659 0.6000 0.6001 0.9809 0.9809 6.5895 6.5895 7.0892 7.0892 7.0980 7.1009 7.3925 7.3925 7.8251 7.8251 8.0005 8.0044 9.6575 9.6575 9.7037 9.7041 9.9381 9.9381 14.1563 14.1563 14.1906 14.1937 14.2030 14.2030 17.0707 17.0716 k = 0.3015 0.3007 0.3000 ( 2737 PWs) bands (ev): -45.9472 -45.9472 -22.6918 -22.6918 -22.0419 -22.0418 -22.0398 -22.0398 -14.2199 -14.2199 -6.1461 -6.1461 -5.7311 -5.7311 -5.7085 -5.7085 -1.0457 -1.0457 0.6241 0.6242 1.0186 1.0186 6.6084 6.6084 7.1204 7.1204 7.1299 7.1330 7.4189 7.4189 7.8307 7.8307 8.0002 8.0043 9.6349 9.6349 9.6846 9.6849 9.9140 9.9140 14.1188 14.1188 14.1486 14.1518 14.1616 14.1616 17.0163 17.0166 k = 0.2941 0.2934 0.2926 ( 2737 PWs) bands (ev): -45.9473 -45.9473 -22.6908 -22.6908 -22.0408 -22.0408 -22.0387 -22.0387 -14.2251 -14.2251 -6.1706 -6.1706 -5.7370 -5.7370 -5.7146 -5.7146 -1.0263 -1.0263 0.6479 0.6481 1.0541 1.0541 6.6258 6.6258 7.1522 7.1522 7.1624 7.1658 7.4525 7.4525 7.8378 7.8378 8.0010 8.0055 9.6141 9.6141 9.6673 9.6676 9.8896 9.8896 14.0802 14.0802 14.1059 14.1091 14.1195 14.1195 16.9581 16.9581 k = 0.2868 0.2860 0.2853 ( 2743 PWs) bands (ev): -45.9474 -45.9474 -22.6899 -22.6899 -22.0397 -22.0397 -22.0377 -22.0377 -14.2304 -14.2304 -6.1944 -6.1944 -5.7429 -5.7429 -5.7207 -5.7207 -1.0077 -1.0077 0.6714 0.6715 1.0874 1.0874 6.6424 6.6424 7.1844 7.1844 7.1955 7.1991 7.4925 7.4925 7.8466 7.8466 8.0031 8.0079 9.5952 9.5952 9.6520 9.6522 9.8650 9.8650 14.0406 14.0406 14.0624 14.0658 14.0768 14.0768 16.8973 16.8973 k = 0.2794 0.2787 0.2780 ( 2743 PWs) bands (ev): -45.9474 -45.9474 -22.6890 -22.6890 -22.0386 -22.0386 -22.0366 -22.0366 -14.2359 -14.2359 -6.2175 -6.2175 -5.7486 -5.7486 -5.7267 -5.7266 -0.9901 -0.9901 0.6943 0.6944 1.1181 1.1181 6.6592 6.6592 7.2171 7.2171 7.2290 7.2329 7.5384 7.5384 7.8571 7.8571 8.0067 8.0118 9.5783 9.5783 9.6386 9.6388 9.8403 9.8403 14.0000 14.0000 14.0184 14.0218 14.0335 14.0335 16.8343 16.8347 k = 0.2721 0.2714 0.2707 ( 2743 PWs) bands (ev): -45.9475 -45.9475 -22.6880 -22.6880 -22.0375 -22.0375 -22.0355 -22.0355 -14.2415 -14.2415 -6.2398 -6.2398 -5.7542 -5.7542 -5.7325 -5.7325 -0.9735 -0.9735 0.7166 0.7167 1.1462 1.1462 6.6768 6.6768 7.2502 7.2502 7.2630 7.2671 7.5895 7.5895 7.8693 7.8693 8.0118 8.0172 9.5634 9.5634 9.6272 9.6273 9.8155 9.8155 13.9584 13.9584 13.9738 13.9773 13.9897 13.9897 16.7694 16.7694 k = 0.2647 0.2640 0.2634 ( 2746 PWs) bands (ev): -45.9476 -45.9476 -22.6870 -22.6870 -22.0363 -22.0363 -22.0345 -22.0345 -14.2472 -14.2472 -6.2613 -6.2613 -5.7596 -5.7596 -5.7383 -5.7383 -0.9579 -0.9579 0.7382 0.7383 1.1713 1.1713 6.6960 6.6960 7.2836 7.2836 7.2975 7.3018 7.6450 7.6450 7.8832 7.8832 8.0185 8.0242 9.5505 9.5505 9.6179 9.6179 9.7906 9.7906 13.9160 13.9160 13.9287 13.9323 13.9455 13.9455 16.7029 16.7029 k = 0.2574 0.2567 0.2561 ( 2746 PWs) bands (ev): -45.9477 -45.9477 -22.6860 -22.6860 -22.0352 -22.0352 -22.0333 -22.0333 -14.2529 -14.2529 -6.2818 -6.2818 -5.7649 -5.7649 -5.7439 -5.7439 -0.9434 -0.9434 0.7591 0.7592 1.1935 1.1935 6.7175 6.7175 7.3173 7.3173 7.3323 7.3369 7.7044 7.7044 7.8988 7.8988 8.0268 8.0329 9.5398 9.5398 9.6105 9.6105 9.7658 9.7658 13.8729 13.8729 13.8833 13.8869 13.9010 13.9010 16.6349 16.6349 k = 0.2500 0.2494 0.2487 ( 2752 PWs) bands (ev): -45.9477 -45.9477 -22.6851 -22.6851 -22.0341 -22.0341 -22.0323 -22.0323 -14.2588 -14.2588 -6.3014 -6.3014 -5.7700 -5.7700 -5.7495 -5.7494 -0.9301 -0.9301 0.7791 0.7792 1.2126 1.2126 6.7417 6.7417 7.3512 7.3512 7.3675 7.3724 7.7671 7.7671 7.9163 7.9163 8.0369 8.0433 9.5313 9.5313 9.6051 9.6052 9.7410 9.7410 13.8291 13.8291 13.8375 13.8413 13.8562 13.8562 16.5657 16.5657 k = 0.2426 0.2420 0.2414 ( 2746 PWs) bands (ev): -45.9478 -45.9478 -22.6840 -22.6840 -22.0330 -22.0330 -22.0311 -22.0311 -14.2647 -14.2647 -6.3200 -6.3200 -5.7749 -5.7749 -5.7548 -5.7548 -0.9180 -0.9180 0.7982 0.7983 1.2285 1.2285 6.7689 6.7689 7.3852 7.3852 7.4030 7.4082 7.8325 7.8325 7.9357 7.9357 8.0488 8.0555 9.5249 9.5249 9.6018 9.6019 9.7164 9.7164 13.7847 13.7847 13.7916 13.7954 13.8112 13.8112 16.4956 16.4956 k = 0.2353 0.2347 0.2341 ( 2746 PWs) bands (ev): -45.9479 -45.9479 -22.6831 -22.6831 -22.0318 -22.0318 -22.0300 -22.0300 -14.2707 -14.2707 -6.3377 -6.3377 -5.7796 -5.7796 -5.7600 -5.7600 -0.9070 -0.9070 0.8164 0.8165 1.2413 1.2413 6.7993 6.7993 7.4194 7.4194 7.4388 7.4442 7.8996 7.8996 7.9577 7.9577 8.0625 8.0695 9.5207 9.5207 9.6004 9.6005 9.6920 9.6920 13.7399 13.7399 13.7455 13.7493 13.7659 13.7659 16.4246 16.4246 k = 0.2279 0.2274 0.2268 ( 2737 PWs) bands (ev): -45.9479 -45.9479 -22.6820 -22.6820 -22.0307 -22.0307 -22.0288 -22.0288 -14.2768 -14.2768 -6.3543 -6.3543 -5.7841 -5.7841 -5.7651 -5.7651 -0.8973 -0.8973 0.8335 0.8336 1.2509 1.2509 6.8331 6.8331 7.4536 7.4536 7.4749 7.4806 7.9622 7.9622 7.9880 7.9880 8.0781 8.0853 9.5187 9.5187 9.6010 9.6012 9.6678 9.6678 13.6947 13.6947 13.6992 13.7032 13.7206 13.7206 16.3531 16.3531 k = 0.2206 0.2200 0.2195 ( 2737 PWs) bands (ev): -45.9480 -45.9480 -22.6810 -22.6810 -22.0295 -22.0295 -22.0277 -22.0277 -14.2829 -14.2829 -6.3699 -6.3699 -5.7884 -5.7884 -5.7700 -5.7700 -0.8888 -0.8888 0.8496 0.8497 1.2576 1.2576 6.8703 6.8703 7.4878 7.4878 7.5113 7.5172 7.9979 7.9979 8.0488 8.0488 8.0955 8.1030 9.5188 9.5188 9.6035 9.6037 9.6438 9.6438 13.6493 13.6493 13.6530 13.6570 13.6752 13.6752 16.2811 16.2811 k = 0.2132 0.2127 0.2122 ( 2743 PWs) bands (ev): -45.9481 -45.9481 -22.6801 -22.6801 -22.0285 -22.0285 -22.0266 -22.0266 -14.2890 -14.2890 -6.3845 -6.3845 -5.7926 -5.7926 -5.7747 -5.7747 -0.8816 -0.8816 0.8646 0.8648 1.2613 1.2613 6.9109 6.9109 7.5219 7.5219 7.5478 7.5539 8.0254 8.0254 8.1147 8.1211 8.1211 8.1224 9.5209 9.5209 9.6079 9.6081 9.6202 9.6202 13.6039 13.6039 13.6069 13.6109 13.6298 13.6298 16.2089 16.2089 k = 0.2059 0.2054 0.2048 ( 2737 PWs) bands (ev): -45.9481 -45.9481 -22.6791 -22.6791 -22.0273 -22.0273 -22.0255 -22.0255 -14.2952 -14.2952 -6.3980 -6.3980 -5.7965 -5.7965 -5.7792 -5.7792 -0.8756 -0.8756 0.8786 0.8787 1.2622 1.2622 6.9545 6.9545 7.5557 7.5557 7.5845 7.5908 8.0536 8.0536 8.1357 8.1436 8.1958 8.1958 9.5251 9.5252 9.5970 9.5970 9.6141 9.6143 13.5584 13.5584 13.5608 13.5649 13.5845 13.5845 16.1365 16.1365 k = 0.1985 0.1980 0.1975 ( 2749 PWs) bands (ev): -45.9482 -45.9482 -22.6782 -22.6782 -22.0263 -22.0263 -22.0245 -22.0245 -14.3014 -14.3014 -6.4106 -6.4106 -5.8002 -5.8002 -5.7835 -5.7835 -0.8708 -0.8708 0.8914 0.8915 1.2604 1.2604 7.0011 7.0011 7.5893 7.5893 7.6212 7.6276 8.0832 8.0832 8.1585 8.1666 8.2719 8.2719 9.5313 9.5313 9.5743 9.5743 9.6220 9.6222 13.5131 13.5131 13.5150 13.5191 13.5393 13.5393 16.0643 16.0643 k = 0.1912 0.1907 0.1902 ( 2749 PWs) bands (ev): -45.9483 -45.9483 -22.6772 -22.6772 -22.0252 -22.0252 -22.0234 -22.0234 -14.3075 -14.3075 -6.4221 -6.4221 -5.8037 -5.8037 -5.7877 -5.7877 -0.8671 -0.8671 0.9031 0.9033 1.2563 1.2563 7.0504 7.0504 7.6224 7.6224 7.6579 7.6645 8.1145 8.1145 8.1831 8.1914 8.3490 8.3490 9.5387 9.5387 9.5527 9.5527 9.6316 9.6318 13.4680 13.4680 13.4694 13.4736 13.4944 13.4944 15.9927 15.9945 k = 0.1838 0.1834 0.1829 ( 2743 PWs) bands (ev): -45.9483 -45.9483 -22.6763 -22.6763 -22.0241 -22.0241 -22.0223 -22.0223 -14.3136 -14.3136 -6.4327 -6.4327 -5.8069 -5.8069 -5.7916 -5.7916 -0.8646 -0.8646 0.9138 0.9139 1.2499 1.2499 7.1020 7.1020 7.6550 7.6550 7.6944 7.7011 8.1474 8.1474 8.2095 8.2179 8.4269 8.4269 9.5289 9.5289 9.5506 9.5506 9.6428 9.6429 13.4232 13.4232 13.4241 13.4283 13.4499 13.4499 15.9208 15.9208 k = 0.1765 0.1760 0.1756 ( 2731 PWs) bands (ev): -45.9484 -45.9484 -22.6753 -22.6753 -22.0231 -22.0231 -22.0212 -22.0212 -14.3197 -14.3197 -6.4423 -6.4423 -5.8100 -5.8100 -5.7954 -5.7954 -0.8632 -0.8632 0.9233 0.9235 1.2414 1.2414 7.1555 7.1555 7.6869 7.6869 7.7306 7.7373 8.1820 8.1820 8.2377 8.2461 8.5052 8.5052 9.5080 9.5080 9.5619 9.5619 9.6554 9.6556 13.3789 13.3789 13.3792 13.3834 13.4057 13.4057 15.8498 15.8498 k = 0.1691 0.1687 0.1683 ( 2731 PWs) bands (ev): -45.9485 -45.9485 -22.6744 -22.6744 -22.0221 -22.0221 -22.0201 -22.0201 -14.3256 -14.3256 -6.4509 -6.4509 -5.8129 -5.8129 -5.7990 -5.7990 -0.8628 -0.8628 0.9319 0.9320 1.2312 1.2312 7.2106 7.2106 7.7181 7.7181 7.7664 7.7731 8.2183 8.2183 8.2677 8.2760 8.5839 8.5839 9.4873 9.4873 9.5752 9.5752 9.6694 9.6695 13.3347 13.3351 13.3351 13.3390 13.3622 13.3622 15.7796 15.7796 k = 0.1618 0.1614 0.1609 ( 2731 PWs) bands (ev): -45.9485 -45.9485 -22.6735 -22.6735 -22.0211 -22.0211 -22.0191 -22.0191 -14.3316 -14.3316 -6.4587 -6.4587 -5.8155 -5.8155 -5.8023 -5.8023 -0.8634 -0.8634 0.9394 0.9395 1.2195 1.2195 7.2668 7.2668 7.7483 7.7483 7.8015 7.8081 8.2563 8.2563 8.2994 8.3077 8.6625 8.6625 9.4672 9.4672 9.5900 9.5900 9.6846 9.6847 13.2907 13.2920 13.2920 13.2950 13.3192 13.3192 15.7104 15.7104 k = 0.1544 0.1540 0.1536 ( 2731 PWs) bands (ev): -45.9486 -45.9486 -22.6727 -22.6727 -22.0201 -22.0201 -22.0181 -22.0181 -14.3374 -14.3374 -6.4656 -6.4656 -5.8180 -5.8180 -5.8055 -5.8055 -0.8649 -0.8649 0.9459 0.9461 1.2065 1.2065 7.3237 7.3237 7.7776 7.7776 7.8357 7.8422 8.2959 8.2959 8.3329 8.3410 8.7410 8.7410 9.4476 9.4476 9.6062 9.6062 9.7010 9.7011 13.2473 13.2496 13.2496 13.2516 13.2771 13.2771 15.6422 15.6422 k = 0.1471 0.1467 0.1463 ( 2743 PWs) bands (ev): -45.9486 -45.9486 -22.6719 -22.6719 -22.0192 -22.0192 -22.0172 -22.0172 -14.3431 -14.3431 -6.4717 -6.4717 -5.8203 -5.8203 -5.8085 -5.8085 -0.8673 -0.8673 0.9516 0.9517 1.1924 1.1924 7.3808 7.3808 7.8059 7.8059 7.8689 7.8752 8.3369 8.3369 8.3681 8.3760 8.8191 8.8191 9.4288 9.4288 9.6236 9.6236 9.7183 9.7183 13.2045 13.2080 13.2080 13.2088 13.2359 13.2359 15.5764 15.5776 k = 0.1397 0.1394 0.1390 ( 2743 PWs) bands (ev): -45.9487 -45.9487 -22.6711 -22.6711 -22.0183 -22.0183 -22.0163 -22.0163 -14.3487 -14.3487 -6.4770 -6.4770 -5.8223 -5.8223 -5.8113 -5.8113 -0.8703 -0.8703 0.9563 0.9565 1.1774 1.1774 7.4376 7.4376 7.8331 7.8332 7.9008 7.9068 8.3793 8.3793 8.4049 8.4126 8.8966 8.8966 9.4107 9.4107 9.6420 9.6420 9.7363 9.7363 13.1625 13.1667 13.1672 13.1672 13.1958 13.1958 15.5100 15.5100 k = 0.1324 0.1320 0.1317 ( 2743 PWs) bands (ev): -45.9488 -45.9488 -22.6703 -22.6703 -22.0175 -22.0175 -22.0154 -22.0154 -14.3541 -14.3541 -6.4816 -6.4816 -5.8242 -5.8242 -5.8140 -5.8139 -0.8740 -0.8740 0.9603 0.9604 1.1619 1.1619 7.4936 7.4936 7.8594 7.8594 7.9313 7.9371 8.4229 8.4229 8.4433 8.4506 8.9731 8.9731 9.3933 9.3933 9.6612 9.6612 9.7550 9.7551 13.1212 13.1254 13.1273 13.1273 13.1570 13.1570 15.4463 15.4463 k = 0.1250 0.1247 0.1244 ( 2737 PWs) bands (ev): -45.9488 -45.9488 -22.6696 -22.6696 -22.0166 -22.0166 -22.0145 -22.0145 -14.3593 -14.3593 -6.4855 -6.4855 -5.8260 -5.8260 -5.8164 -5.8164 -0.8783 -0.8783 0.9636 0.9637 1.1459 1.1459 7.5484 7.5484 7.8846 7.8846 7.9603 7.9657 8.4674 8.4674 8.4831 8.4900 9.0483 9.0483 9.3767 9.3767 9.6811 9.6811 9.7741 9.7742 13.0808 13.0849 13.0882 13.0882 13.1197 13.1197 15.3847 15.3870 k = 0.1176 0.1173 0.1171 ( 2725 PWs) bands (ev): -45.9488 -45.9488 -22.6688 -22.6688 -22.0157 -22.0157 -22.0137 -22.0137 -14.3644 -14.3644 -6.4888 -6.4888 -5.8275 -5.8275 -5.8187 -5.8186 -0.8831 -0.8831 0.9661 0.9662 1.1298 1.1298 7.6014 7.6014 7.9090 7.9090 7.9876 7.9926 8.5127 8.5127 8.5240 8.5305 9.1220 9.1220 9.3609 9.3609 9.7014 9.7014 9.7935 9.7936 13.0413 13.0454 13.0500 13.0500 13.0841 13.0841 15.3248 15.3263 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9489 -45.9489 -22.6682 -22.6682 -22.0150 -22.0150 -22.0129 -22.0129 -14.3693 -14.3693 -6.4916 -6.4916 -5.8290 -5.8290 -5.8208 -5.8207 -0.8882 -0.8882 0.9681 0.9682 1.1137 1.1137 7.6520 7.6520 7.9327 7.9327 8.0131 8.0178 8.5583 8.5583 8.5658 8.5718 9.1938 9.1938 9.3459 9.3459 9.7220 9.7220 9.8129 9.8131 13.0029 13.0069 13.0127 13.0127 13.0503 13.0503 15.2670 15.2670 k = 0.1029 0.1027 0.1024 ( 2746 PWs) bands (ev): -45.9489 -45.9489 -22.6676 -22.6676 -22.0144 -22.0144 -22.0122 -22.0122 -14.3739 -14.3739 -6.4938 -6.4938 -5.8303 -5.8303 -5.8227 -5.8227 -0.8935 -0.8935 0.9695 0.9696 1.0978 1.0978 7.6998 7.6998 7.9558 7.9558 8.0368 8.0411 8.6040 8.6040 8.6081 8.6136 9.2634 9.2634 9.3318 9.3318 9.7427 9.7427 9.8322 9.8324 12.9657 12.9696 12.9764 12.9764 13.0186 13.0186 15.2120 15.2121 k = 0.0956 0.0953 0.0951 ( 2755 PWs) bands (ev): -45.9490 -45.9490 -22.6670 -22.6670 -22.0138 -22.0138 -22.0116 -22.0116 -14.3783 -14.3783 -6.4956 -6.4956 -5.8314 -5.8314 -5.8245 -5.8244 -0.8991 -0.8991 0.9705 0.9706 1.0822 1.0822 7.7442 7.7443 7.9787 7.9787 8.0588 8.0627 8.6493 8.6493 8.6506 8.6556 9.3183 9.3183 9.3305 9.3305 9.7632 9.7632 9.8511 9.8514 12.9299 12.9336 12.9413 12.9413 12.9891 12.9891 15.1594 15.1594 k = 0.0882 0.0880 0.0878 ( 2749 PWs) bands (ev): -45.9490 -45.9490 -22.6664 -22.6664 -22.0131 -22.0131 -22.0109 -22.0109 -14.3825 -14.3825 -6.4969 -6.4969 -5.8324 -5.8324 -5.8261 -5.8261 -0.9047 -0.9047 0.9711 0.9712 1.0672 1.0672 7.7848 7.7848 8.0015 8.0015 8.0789 8.0824 8.6928 8.6940 8.6940 8.6974 9.3061 9.3061 9.3942 9.3942 9.7833 9.7833 9.8696 9.8699 12.8955 12.8991 12.9075 12.9075 12.9617 12.9617 15.1100 15.1109 k = 0.0809 0.0807 0.0805 ( 2749 PWs) bands (ev): -45.9491 -45.9491 -22.6659 -22.6659 -22.0126 -22.0126 -22.0103 -22.0103 -14.3863 -14.3863 -6.4980 -6.4980 -5.8333 -5.8333 -5.8275 -5.8275 -0.9103 -0.9103 0.9713 0.9714 1.0529 1.0529 7.8211 7.8211 8.0243 8.0243 8.0972 8.1003 8.7343 8.7376 8.7376 8.7384 9.2947 9.2947 9.4546 9.4546 9.8030 9.8030 9.8873 9.8876 12.8627 12.8662 12.8751 12.8751 12.9365 12.9365 15.0630 15.0631 k = 0.0735 0.0733 0.0732 ( 2755 PWs) bands (ev): -45.9491 -45.9491 -22.6655 -22.6655 -22.0120 -22.0120 -22.0097 -22.0097 -14.3899 -14.3899 -6.4987 -6.4987 -5.8341 -5.8341 -5.8288 -5.8288 -0.9157 -0.9157 0.9713 0.9714 1.0394 1.0394 7.8528 7.8528 8.0472 8.0472 8.1137 8.1165 8.7746 8.7782 8.7795 8.7795 9.2842 9.2842 9.5111 9.5111 9.8220 9.8220 9.9041 9.9045 12.8318 12.8351 12.8444 12.8444 12.9137 12.9137 15.0196 15.0198 k = 0.0662 0.0660 0.0658 ( 2767 PWs) bands (ev): -45.9491 -45.9491 -22.6651 -22.6651 -22.0116 -22.0116 -22.0093 -22.0093 -14.3932 -14.3932 -6.4992 -6.4992 -5.8348 -5.8348 -5.8300 -5.8300 -0.9210 -0.9210 0.9711 0.9712 1.0268 1.0268 7.8800 7.8800 8.0700 8.0700 8.1286 8.1310 8.8131 8.8164 8.8194 8.8194 9.2746 9.2746 9.5632 9.5632 9.8402 9.8402 9.9198 9.9202 12.8029 12.8059 12.8157 12.8157 12.8931 12.8931 14.9796 14.9796 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9492 -45.9492 -22.6647 -22.6647 -22.0112 -22.0111 -22.0089 -22.0089 -14.3962 -14.3962 -6.4995 -6.4995 -5.8354 -5.8354 -5.8311 -5.8311 -0.9259 -0.9259 0.9708 0.9708 1.0153 1.0153 7.9028 7.9028 8.0924 8.0924 8.1417 8.1438 8.8495 8.8523 8.8568 8.8568 9.2661 9.2661 9.6106 9.6106 9.8575 9.8575 9.9343 9.9347 12.7763 12.7790 12.7891 12.7891 12.8748 12.8748 14.9432 14.9438 k = 0.0515 0.0513 0.0512 ( 2767 PWs) bands (ev): -45.9492 -45.9492 -22.6643 -22.6643 -22.0107 -22.0107 -22.0084 -22.0084 -14.3989 -14.3989 -6.4996 -6.4996 -5.8359 -5.8359 -5.8320 -5.8320 -0.9305 -0.9305 0.9703 0.9704 1.0049 1.0049 7.9217 7.9217 8.1137 8.1137 8.1532 8.1550 8.8831 8.8855 8.8912 8.8912 9.2585 9.2585 9.6529 9.6529 9.8736 9.8736 9.9474 9.9478 12.7521 12.7546 12.7649 12.7649 12.8587 12.8587 14.9106 14.9106 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9492 -45.9492 -22.6640 -22.6640 -22.0104 -22.0104 -22.0080 -22.0080 -14.4012 -14.4012 -6.4997 -6.4997 -5.8363 -5.8363 -5.8327 -5.8327 -0.9346 -0.9346 0.9698 0.9699 0.9957 0.9957 7.9371 7.9371 8.1335 8.1335 8.1631 8.1646 8.9135 8.9155 8.9222 8.9222 9.2519 9.2519 9.6896 9.6896 9.8885 9.8885 9.9590 9.9593 12.7305 12.7327 12.7433 12.7433 12.8449 12.8449 14.8819 14.8822 k = 0.0368 0.0367 0.0366 ( 2767 PWs) bands (ev): -45.9492 -45.9492 -22.6638 -22.6638 -22.0102 -22.0102 -22.0077 -22.0077 -14.4032 -14.4032 -6.4997 -6.4997 -5.8366 -5.8366 -5.8334 -5.8334 -0.9382 -0.9382 0.9693 0.9694 0.9878 0.9878 7.9494 7.9494 8.1511 8.1511 8.1715 8.1727 8.9401 8.9418 8.9493 8.9493 9.2463 9.2463 9.7207 9.7207 9.9019 9.9019 9.9689 9.9692 12.7119 12.7138 12.7245 12.7245 12.8334 12.8334 14.8575 14.8581 k = 0.0294 0.0293 0.0293 ( 2767 PWs) bands (ev): -45.9492 -45.9492 -22.6635 -22.6635 -22.0099 -22.0099 -22.0074 -22.0074 -14.4048 -14.4048 -6.4996 -6.4996 -5.8369 -5.8369 -5.8339 -5.8339 -0.9412 -0.9412 0.9689 0.9689 0.9813 0.9813 7.9590 7.9590 8.1661 8.1662 8.1783 8.1793 8.9626 8.9640 8.9720 8.9720 9.2417 9.2417 9.7460 9.7460 9.9136 9.9136 9.9772 9.9775 12.6964 12.6979 12.7089 12.7089 12.8240 12.8240 14.8372 14.8372 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9493 -45.9493 -22.6634 -22.6634 -22.0098 -22.0098 -22.0073 -22.0073 -14.4061 -14.4061 -6.4995 -6.4995 -5.8371 -5.8371 -5.8343 -5.8343 -0.9436 -0.9436 0.9685 0.9685 0.9761 0.9761 7.9662 7.9662 8.1782 8.1782 8.1836 8.1843 8.9806 8.9816 8.9902 8.9902 9.2381 9.2381 9.7653 9.7653 9.9232 9.9232 9.9837 9.9839 12.6842 12.6853 12.6964 12.6964 12.8167 12.8167 14.8215 14.8219 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9493 -45.9493 -22.6633 -22.6633 -22.0096 -22.0096 -22.0072 -22.0072 -14.4070 -14.4070 -6.4995 -6.4995 -5.8372 -5.8372 -5.8346 -5.8346 -0.9453 -0.9453 0.9682 0.9682 0.9724 0.9724 7.9711 7.9711 8.1870 8.1870 8.1874 8.1878 8.9938 8.9944 9.0033 9.0033 9.2355 9.2355 9.7791 9.7791 9.9304 9.9304 9.9884 9.9885 12.6754 12.6762 12.6874 12.6874 12.8115 12.8115 14.8099 14.8101 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9493 -45.9493 -22.6632 -22.6632 -22.0096 -22.0096 -22.0071 -22.0071 -14.4076 -14.4076 -6.4994 -6.4994 -5.8373 -5.8373 -5.8348 -5.8348 -0.9464 -0.9464 0.9681 0.9681 0.9702 0.9702 7.9741 7.9741 8.1897 8.1899 8.1923 8.1923 9.0018 9.0021 9.0113 9.0113 9.2340 9.2340 9.7872 9.7872 9.9349 9.9349 9.9912 9.9913 12.6701 12.6705 12.6820 12.6820 12.8085 12.8085 14.8030 14.8031 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9493 -45.9493 -22.6632 -22.6632 -22.0095 -22.0095 -22.0070 -22.0070 -14.4078 -14.4078 -6.4994 -6.4994 -5.8374 -5.8374 -5.8348 -5.8348 -0.9467 -0.9467 0.9680 0.9680 0.9695 0.9695 7.9750 7.9750 8.1905 8.1905 8.1941 8.1941 9.0046 9.0046 9.0140 9.0140 9.2335 9.2335 9.7899 9.7899 9.9364 9.9364 9.9922 9.9922 12.6685 12.6685 12.6802 12.6802 12.8074 12.8074 14.8011 14.8020 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9493 -45.9493 -22.6632 -22.6632 -22.0095 -22.0095 -22.0070 -22.0070 -14.4078 -14.4078 -6.4994 -6.4994 -5.8374 -5.8374 -5.8348 -5.8348 -0.9467 -0.9467 0.9680 0.9680 0.9695 0.9695 7.9750 7.9750 8.1905 8.1905 8.1941 8.1941 9.0046 9.0046 9.0140 9.0140 9.2335 9.2335 9.7899 9.7899 9.9364 9.9364 9.9922 9.9922 12.6685 12.6685 12.6802 12.6802 12.8074 12.8074 14.8009 14.8021 k = 0.0089-0.0000-0.0089 ( 2777 PWs) bands (ev): -45.9493 -45.9493 -22.6633 -22.6632 -22.0096 -22.0096 -22.0071 -22.0070 -14.4076 -14.4076 -6.4996 -6.4993 -5.8375 -5.8371 -5.8348 -5.8348 -0.9465 -0.9462 0.9683 0.9686 0.9693 0.9704 7.9716 7.9763 8.1871 8.1887 8.1925 8.1956 9.0028 9.0029 9.0111 9.0135 9.2310 9.2327 9.7715 9.8027 9.9199 9.9492 9.9929 9.9935 12.6693 12.6698 12.6802 12.6831 12.8074 12.8097 14.8023 14.8025 k = 0.0178-0.0000-0.0179 ( 2769 PWs) bands (ev): -45.9493 -45.9493 -22.6633 -22.6632 -22.0096 -22.0096 -22.0072 -22.0070 -14.4070 -14.4070 -6.4998 -6.4992 -5.8376 -5.8368 -5.8347 -5.8346 -0.9456 -0.9449 0.9689 0.9695 0.9704 0.9726 7.9659 7.9753 8.1785 8.1841 8.1906 8.1946 8.9968 8.9975 9.0051 9.0097 9.2254 9.2289 9.7487 9.8078 9.9033 9.9556 9.9942 9.9982 12.6701 12.6733 12.6850 12.6887 12.8096 12.8140 14.8057 14.8065 k = 0.0267-0.0001-0.0268 ( 2765 PWs) bands (ev): -45.9493 -45.9493 -22.6635 -22.6632 -22.0097 -22.0097 -22.0074 -22.0071 -14.4061 -14.4061 -6.5001 -6.4992 -5.8377 -5.8364 -5.8344 -5.8344 -0.9440 -0.9430 0.9694 0.9701 0.9736 0.9764 7.9578 7.9720 8.1661 8.1770 8.1869 8.1913 8.9860 8.9877 8.9966 9.0031 9.2173 9.2224 9.7223 9.8017 9.8906 9.9558 9.9953 10.0056 12.6705 12.6780 12.6950 12.6984 12.8142 12.8204 14.8112 14.8124 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9492 -45.9492 -22.6637 -22.6634 -22.0099 -22.0099 -22.0076 -22.0073 -14.4049 -14.4048 -6.5004 -6.4993 -5.8376 -5.8359 -5.8341 -5.8340 -0.9417 -0.9404 0.9700 0.9709 0.9782 0.9817 7.9472 7.9662 8.1502 8.1672 8.1812 8.1862 8.9702 8.9731 8.9860 8.9937 9.2074 9.2141 9.6926 9.7832 9.8834 9.9520 9.9957 10.0129 12.6715 12.6830 12.7092 12.7131 12.8210 12.8287 14.8190 14.8205 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9492 -45.9492 -22.6639 -22.6635 -22.0102 -22.0101 -22.0078 -22.0074 -14.4032 -14.4032 -6.5009 -6.4994 -5.8375 -5.8353 -5.8338 -5.8334 -0.9388 -0.9372 0.9708 0.9720 0.9841 0.9882 7.9337 7.9577 8.1312 8.1544 8.1735 8.1797 8.9497 8.9536 8.9728 8.9812 9.1967 9.2047 9.6599 9.7550 9.8795 9.9457 9.9952 10.0184 12.6736 12.6883 12.7274 12.7324 12.8301 12.8391 14.8288 14.8307 k = 0.0534-0.0001-0.0536 ( 2765 PWs) bands (ev): -45.9492 -45.9492 -22.6642 -22.6637 -22.0106 -22.0104 -22.0080 -22.0076 -14.4013 -14.4012 -6.5013 -6.4996 -5.8374 -5.8345 -5.8333 -5.8327 -0.9353 -0.9333 0.9717 0.9732 0.9912 0.9960 7.9172 7.9461 8.1093 8.1386 8.1643 8.1719 8.9245 8.9294 8.9565 8.9653 9.1861 9.1952 9.6246 9.7204 9.8759 9.9376 9.9933 10.0213 12.6773 12.6946 12.7496 12.7558 12.8415 12.8514 14.8406 14.8428 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9492 -45.9492 -22.6645 -22.6640 -22.0110 -22.0108 -22.0083 -22.0078 -14.3990 -14.3989 -6.5018 -6.4998 -5.8371 -5.8337 -5.8328 -5.8317 -0.9311 -0.9289 0.9729 0.9746 0.9996 1.0049 7.8973 7.9308 8.0852 8.1202 8.1538 8.1628 8.8950 8.9009 8.9372 8.9460 9.1764 9.1863 9.5869 9.6815 9.8711 9.9279 9.9898 10.0212 12.6828 12.7021 12.7754 12.7827 12.8552 12.8658 14.8541 14.8567 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9492 -45.9492 -22.6648 -22.6642 -22.0116 -22.0112 -22.0085 -22.0080 -14.3964 -14.3963 -6.5024 -6.5001 -5.8368 -5.8327 -5.8320 -5.8305 -0.9265 -0.9241 0.9742 0.9761 1.0091 1.0148 7.8738 7.9114 8.0593 8.0991 8.1422 8.1525 8.8614 8.8683 8.9149 8.9233 9.1681 9.1783 9.5470 9.6391 9.8645 9.9167 9.9845 10.0181 12.6904 12.7113 12.8043 12.8128 12.8711 12.8825 14.8693 14.8722 k = 0.0802-0.0002-0.0804 ( 2759 PWs) bands (ev): -45.9491 -45.9491 -22.6653 -22.6646 -22.0123 -22.0118 -22.0088 -22.0083 -14.3934 -14.3933 -6.5030 -6.5004 -5.8364 -5.8318 -5.8309 -5.8291 -0.9214 -0.9188 0.9758 0.9779 1.0196 1.0257 7.8465 7.8872 8.0321 8.0757 8.1299 8.1411 8.8239 8.8321 8.8897 8.8976 9.1612 9.1715 9.5053 9.5939 9.8561 9.9040 9.9772 10.0121 12.7002 12.7223 12.8361 12.8458 12.8892 12.9016 14.8859 14.8891 k = 0.0891-0.0002-0.0893 ( 2759 PWs) bands (ev): -45.9491 -45.9491 -22.6658 -22.6650 -22.0131 -22.0125 -22.0091 -22.0086 -14.3902 -14.3901 -6.5036 -6.5007 -5.8359 -5.8310 -5.8294 -5.8273 -0.9159 -0.9131 0.9775 0.9798 1.0310 1.0374 7.8154 7.8580 8.0042 8.0499 8.1169 8.1287 8.7832 8.7928 8.8621 8.8695 9.1558 9.1658 9.4618 9.5464 9.8458 9.8901 9.9680 10.0033 12.7123 12.7354 12.8700 12.8811 12.9097 12.9234 14.9039 14.9073 k = 0.0980-0.0002-0.0982 ( 2759 PWs) bands (ev): -45.9491 -45.9491 -22.6663 -22.6655 -22.0139 -22.0132 -22.0094 -22.0088 -14.3866 -14.3865 -6.5042 -6.5011 -5.8353 -5.8301 -5.8275 -5.8252 -0.9101 -0.9071 0.9793 0.9819 1.0432 1.0498 7.7804 7.8236 7.9754 8.0217 8.1035 8.1156 8.7398 8.7510 8.8322 8.8392 9.1517 9.1612 9.4172 9.4970 9.8339 9.8750 9.9569 9.9919 12.7269 12.7508 12.9052 12.9179 12.9330 12.9487 14.9229 14.9266 k = 0.1069-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9490 -45.9490 -22.6668 -22.6659 -22.0148 -22.0139 -22.0097 -22.0091 -14.3828 -14.3827 -6.5048 -6.5014 -5.8347 -5.8293 -5.8253 -5.8228 -0.9040 -0.9008 0.9813 0.9842 1.0560 1.0627 7.7419 7.7845 7.9455 7.9911 8.0899 8.1020 8.6941 8.7069 8.8005 8.8072 9.1484 9.1572 9.3718 9.4463 9.8205 9.8588 9.9441 9.9783 12.7440 12.7685 12.9404 12.9522 12.9628 12.9786 14.9428 14.9468 k = 0.1158-0.0003-0.1161 ( 2755 PWs) bands (ev): -45.9490 -45.9490 -22.6674 -22.6664 -22.0158 -22.0148 -22.0101 -22.0094 -14.3788 -14.3786 -6.5053 -6.5018 -5.8341 -5.8284 -5.8227 -5.8200 -0.8978 -0.8944 0.9835 0.9866 1.0692 1.0760 7.6999 7.7412 7.9142 7.9581 8.0762 8.0880 8.6467 8.6612 8.7672 8.7738 9.1456 9.1532 9.3264 9.3949 9.8057 9.8417 9.9297 9.9630 12.7636 12.7885 12.9742 12.9811 13.0017 13.0141 14.9635 14.9677 k = 0.1247-0.0003-0.1250 ( 2755 PWs) bands (ev): -45.9490 -45.9490 -22.6680 -22.6670 -22.0169 -22.0158 -22.0104 -22.0096 -14.3745 -14.3743 -6.5058 -6.5020 -5.8333 -5.8274 -5.8198 -5.8168 -0.8914 -0.8878 0.9858 0.9892 1.0828 1.0895 7.6550 7.6944 7.8809 7.9225 8.0625 8.0739 8.5979 8.6140 8.7327 8.7392 9.1423 9.1478 9.2828 9.3437 9.7897 9.8238 9.9141 9.9462 12.7857 12.8108 13.0064 13.0105 13.0437 13.0545 14.9847 14.9892 k = 0.1336-0.0003-0.1339 ( 2752 PWs) bands (ev): -45.9489 -45.9489 -22.6686 -22.6676 -22.0179 -22.0167 -22.0107 -22.0099 -14.3700 -14.3698 -6.5061 -6.5021 -5.8325 -5.8263 -5.8165 -5.8133 -0.8850 -0.8811 0.9883 0.9919 1.0965 1.1031 7.6075 7.6447 7.8454 7.8843 8.0487 8.0597 8.5481 8.5657 8.6974 8.7038 9.1356 9.1388 9.2443 9.2948 9.7726 9.8050 9.8977 9.9287 12.8101 12.8355 13.0382 13.0417 13.0875 13.0980 15.0063 15.0111 k = 0.1425-0.0004-0.1429 ( 2756 PWs) bands (ev): -45.9489 -45.9489 -22.6693 -22.6682 -22.0191 -22.0178 -22.0111 -22.0103 -14.3652 -14.3651 -6.5063 -6.5021 -5.8317 -5.8253 -5.8127 -5.8094 -0.8787 -0.8744 0.9908 0.9947 1.1101 1.1166 7.5579 7.5928 7.8076 7.8437 8.0348 8.0454 8.4976 8.5164 8.6614 8.6676 9.1160 9.1270 9.2168 9.2520 9.7543 9.7854 9.8809 9.9110 12.8369 12.8624 13.0708 13.0746 13.1329 13.1434 15.0282 15.0332 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9488 -45.9488 -22.6700 -22.6688 -22.0203 -22.0189 -22.0115 -22.0106 -14.3603 -14.3602 -6.5063 -6.5019 -5.8308 -5.8242 -5.8086 -5.8051 -0.8724 -0.8677 0.9935 0.9976 1.1235 1.1300 7.5066 7.5392 7.7673 7.8006 8.0208 8.0312 8.4464 8.4662 8.6250 8.6310 9.0827 9.1046 9.2030 9.2217 9.7347 9.7647 9.8645 9.8937 12.8659 12.8915 13.1046 13.1089 13.1794 13.1901 15.0502 15.0554 k = 0.1603-0.0004-0.1607 ( 2742 PWs) bands (ev): -45.9488 -45.9488 -22.6707 -22.6695 -22.0215 -22.0200 -22.0118 -22.0109 -14.3553 -14.3551 -6.5060 -6.5015 -5.8298 -5.8230 -5.8042 -5.8004 -0.8663 -0.8611 0.9962 1.0007 1.1364 1.1429 7.4540 7.4844 7.7246 7.7553 8.0065 8.0171 8.3947 8.4152 8.5884 8.5940 9.0414 9.0685 9.1984 9.2067 9.7138 9.7427 9.8490 9.8774 12.8969 12.9226 13.1397 13.1444 13.2268 13.2377 15.0721 15.0776 k = 0.1692-0.0004-0.1696 ( 2742 PWs) bands (ev): -45.9487 -45.9487 -22.6714 -22.6702 -22.0228 -22.0212 -22.0122 -22.0112 -14.3501 -14.3499 -6.5055 -6.5008 -5.8288 -5.8218 -5.7994 -5.7955 -0.8604 -0.8547 0.9989 1.0038 1.1487 1.1554 7.4004 7.4288 7.6798 7.7079 7.9919 8.0029 8.3425 8.3633 8.5518 8.5568 8.9971 9.0240 9.1981 9.2023 9.6915 9.7190 9.8353 9.8626 12.9300 12.9556 13.1760 13.1810 13.2750 13.2860 15.0939 15.0996 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9487 -45.9487 -22.6722 -22.6709 -22.0241 -22.0225 -22.0125 -22.0116 -14.3448 -14.3446 -6.5046 -6.4997 -5.8278 -5.8205 -5.7943 -5.7902 -0.8548 -0.8484 1.0017 1.0070 1.1601 1.1674 7.3463 7.3728 7.6329 7.6586 7.9769 7.9886 8.2898 8.3104 8.5153 8.5196 8.9525 8.9767 9.2000 9.2036 9.6676 9.6936 9.8238 9.8499 12.9648 12.9904 13.2133 13.2187 13.3236 13.3348 15.1154 15.1213 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9486 -45.9486 -22.6730 -22.6716 -22.0255 -22.0238 -22.0129 -22.0119 -14.3393 -14.3392 -6.5032 -6.4983 -5.8267 -5.8193 -5.7889 -5.7847 -0.8495 -0.8424 1.0044 1.0102 1.1706 1.1786 7.2920 7.3167 7.5843 7.6078 7.9613 7.9743 8.2364 8.2565 8.4789 8.4825 8.9092 8.9297 9.2036 9.2075 9.6422 9.6663 9.8149 9.8395 13.0014 13.0269 13.2515 13.2572 13.3726 13.3840 15.1365 15.1426 k = 0.1959-0.0005-0.1964 ( 2742 PWs) bands (ev): -45.9486 -45.9486 -22.6738 -22.6724 -22.0269 -22.0251 -22.0133 -22.0123 -14.3339 -14.3337 -6.5015 -6.4964 -5.8255 -5.8179 -5.7833 -5.7789 -0.8445 -0.8367 1.0071 1.0135 1.1799 1.1890 7.2378 7.2608 7.5341 7.5555 7.9450 7.9598 8.1823 8.2014 8.4429 8.4455 8.8681 8.8848 9.2085 9.2128 9.6154 9.6374 9.8088 9.8317 13.0395 13.0649 13.2905 13.2965 13.4219 13.4333 15.1571 15.1634 k = 0.2048-0.0005-0.2054 ( 2746 PWs) bands (ev): -45.9485 -45.9485 -22.6746 -22.6732 -22.0283 -22.0265 -22.0137 -22.0127 -14.3283 -14.3281 -6.4992 -6.4940 -5.8244 -5.8166 -5.7775 -5.7730 -0.8398 -0.8313 1.0097 1.0167 1.1880 1.1985 7.1838 7.2053 7.4828 7.5022 7.9275 7.9452 8.1276 8.1454 8.4070 8.4088 8.8301 8.8430 9.2144 9.2191 9.5872 9.6070 9.8054 9.8264 13.0789 13.1043 13.3300 13.3362 13.4713 13.4827 15.1772 15.1836 k = 0.2137-0.0005-0.2143 ( 2744 PWs) bands (ev): -45.9485 -45.9485 -22.6754 -22.6740 -22.0297 -22.0279 -22.0141 -22.0131 -14.3227 -14.3226 -6.4964 -6.4911 -5.8231 -5.8152 -5.7716 -5.7670 -0.8356 -0.8262 1.0121 1.0199 1.1949 1.2069 7.1304 7.1505 7.4304 7.4480 7.9083 7.9305 8.0721 8.0888 8.3714 8.3725 8.7958 8.8055 9.2210 9.2260 9.5580 9.5755 9.8047 9.8239 13.1196 13.1448 13.3698 13.3764 13.5207 13.5321 15.1966 15.2032 k = 0.2227-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9484 -45.9484 -22.6762 -22.6748 -22.0311 -22.0293 -22.0145 -22.0134 -14.3171 -14.3170 -6.4929 -6.4875 -5.8219 -5.8139 -5.7657 -5.7610 -0.8318 -0.8216 1.0144 1.0230 1.2005 1.2144 7.0777 7.0965 7.3773 7.3933 7.8864 7.9156 8.0156 8.0330 8.3360 8.3364 8.7658 8.7727 9.2281 9.2334 9.5278 9.5432 9.8067 9.8239 13.1613 13.1864 13.4099 13.4167 13.5700 13.5813 15.2152 15.2221 k = 0.2316-0.0006-0.2321 ( 2740 PWs) bands (ev): -45.9484 -45.9484 -22.6771 -22.6756 -22.0326 -22.0307 -22.0149 -22.0138 -14.3115 -14.3114 -6.4888 -6.4833 -5.8206 -5.8125 -5.7598 -5.7549 -0.8284 -0.8174 1.0164 1.0259 1.2048 1.2207 7.0259 7.0434 7.3237 7.3382 7.8597 7.9005 7.9574 7.9809 8.3005 8.3008 8.7405 8.7454 9.2355 9.2412 9.4970 9.5103 9.8110 9.8264 13.2040 13.2289 13.4501 13.4571 13.6190 13.6304 15.2331 15.2401 k = 0.2405-0.0006-0.2411 ( 2738 PWs) bands (ev): -45.9483 -45.9483 -22.6779 -22.6764 -22.0340 -22.0321 -22.0153 -22.0142 -14.3060 -14.3058 -6.4840 -6.4784 -5.8193 -5.8110 -5.7539 -5.7490 -0.8255 -0.8136 1.0181 1.0286 1.2079 1.2259 6.9751 6.9915 7.2699 7.2829 7.8252 7.8843 7.8978 7.9362 8.2650 8.2657 8.7204 8.7237 9.2431 9.2492 9.4659 9.4773 9.8177 9.8313 13.2474 13.2722 13.4901 13.4973 13.6678 13.6791 15.2501 15.2573 k = 0.2494-0.0006-0.2500 ( 2742 PWs) bands (ev): -45.9482 -45.9482 -22.6788 -22.6773 -22.0355 -22.0335 -22.0157 -22.0146 -14.3004 -14.3003 -6.4784 -6.4728 -5.8179 -5.8096 -5.7482 -5.7432 -0.8230 -0.8103 1.0194 1.0309 1.2098 1.2300 6.9253 6.9407 7.2161 7.2278 7.7810 7.8334 7.8710 7.9009 8.2299 8.2307 8.7055 8.7078 9.2508 9.2574 9.4345 9.4445 9.8265 9.8385 13.2914 13.3160 13.5299 13.5373 13.7162 13.7274 15.2663 15.2736 k = 0.2583-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9482 -45.9482 -22.6796 -22.6781 -22.0369 -22.0350 -22.0161 -22.0149 -14.2950 -14.2948 -6.4721 -6.4664 -5.8166 -5.8082 -5.7427 -5.7376 -0.8210 -0.8075 1.0202 1.0329 1.2107 1.2331 6.8768 6.8911 7.1625 7.1729 7.7287 7.7700 7.8555 7.8734 8.1951 8.1959 8.6958 8.6976 9.2582 9.2655 9.4035 9.4123 9.8372 9.8477 13.3358 13.3603 13.5693 13.5769 13.7641 13.7751 15.2815 15.2889 k = 0.2672-0.0007-0.2679 ( 2738 PWs) bands (ev): -45.9481 -45.9481 -22.6804 -22.6790 -22.0384 -22.0364 -22.0164 -22.0153 -14.2896 -14.2894 -6.4650 -6.4592 -5.8152 -5.8068 -5.7375 -5.7323 -0.8195 -0.8052 1.0205 1.0344 1.2106 1.2353 6.8294 6.8429 7.1093 7.1186 7.6715 7.7056 7.8399 7.8506 8.1608 8.1614 8.6913 8.6929 9.2649 9.2730 9.3730 9.3817 9.8498 9.8587 13.3806 13.4048 13.6082 13.6160 13.8115 13.8223 15.2957 15.3033 k = 0.2761-0.0007-0.2768 ( 2738 PWs) bands (ev): -45.9481 -45.9481 -22.6812 -22.6798 -22.0398 -22.0378 -22.0168 -22.0157 -14.2843 -14.2842 -6.4570 -6.4513 -5.8138 -5.8054 -5.7326 -5.7274 -0.8184 -0.8034 1.0201 1.0351 1.2098 1.2367 6.7834 6.7960 7.0566 7.0649 7.6118 7.6409 7.8241 7.8309 8.1270 8.1274 8.6916 8.6934 9.2694 9.2793 9.3442 9.3545 9.8639 9.8715 13.4255 13.4495 13.6465 13.6545 13.8581 13.8687 15.3090 15.3167 k = 0.2850-0.0007-0.2857 ( 2730 PWs) bands (ev): -45.9480 -45.9480 -22.6820 -22.6806 -22.0411 -22.0392 -22.0171 -22.0160 -14.2791 -14.2790 -6.4483 -6.4425 -5.8125 -5.8039 -5.7282 -5.7229 -0.8178 -0.8021 1.0191 1.0352 1.2085 1.2374 6.7387 6.7506 7.0047 7.0120 7.5508 7.5762 7.8076 7.8135 8.0938 8.0939 8.6964 8.6987 9.2679 9.2810 9.3202 9.3350 9.8795 9.8858 13.4704 13.4942 13.6841 13.6921 13.9040 13.9144 15.3212 15.3291 k = 0.2939-0.0007-0.2946 ( 2728 PWs) bands (ev): -45.9480 -45.9480 -22.6828 -22.6814 -22.0425 -22.0406 -22.0175 -22.0164 -14.2740 -14.2739 -6.4387 -6.4329 -5.8111 -5.8025 -5.7243 -5.7190 -0.8176 -0.8012 1.0172 1.0343 1.2069 1.2377 6.6954 6.7065 6.9538 6.9602 7.4894 7.5118 7.7908 7.7977 8.0610 8.0613 8.7051 8.7081 9.2555 9.2695 9.3108 9.3278 9.8963 9.9015 13.5151 13.5386 13.7207 13.7289 13.9490 13.9591 15.3325 15.3404 k = 0.3028-0.0008-0.3036 ( 2728 PWs) bands (ev): -45.9479 -45.9479 -22.6836 -22.6822 -22.0438 -22.0419 -22.0178 -22.0167 -14.2691 -14.2690 -6.4283 -6.4225 -5.8097 -5.8012 -5.7209 -5.7155 -0.8178 -0.8009 1.0146 1.0323 1.2053 1.2375 6.6535 6.6639 6.9040 6.9095 7.4282 7.4481 7.7744 7.7828 8.0289 8.0296 8.7172 8.7210 9.2349 9.2475 9.3140 9.3302 9.9142 9.9183 13.5595 13.5828 13.7565 13.7648 13.9930 14.0029 15.3427 15.3507 k = 0.3117-0.0008-0.3125 ( 2728 PWs) bands (ev): -45.9478 -45.9478 -22.6844 -22.6830 -22.0452 -22.0433 -22.0182 -22.0171 -14.2644 -14.2643 -6.4172 -6.4113 -5.8084 -5.7998 -5.7181 -5.7127 -0.8184 -0.8011 1.0110 1.0293 1.2038 1.2372 6.6130 6.6228 6.8555 6.8601 7.3676 7.3853 7.7585 7.7683 7.9977 7.9987 8.7317 8.7365 9.2120 9.2245 9.3207 9.3368 9.9329 9.9361 13.6035 13.6264 13.7912 13.7996 14.0360 14.0455 15.3519 15.3600 k = 0.3206-0.0008-0.3214 ( 2734 PWs) bands (ev): -45.9478 -45.9478 -22.6852 -22.6838 -22.0465 -22.0446 -22.0185 -22.0175 -14.2598 -14.2597 -6.4052 -6.3993 -5.8071 -5.7985 -5.7160 -5.7106 -0.8194 -0.8017 1.0066 1.0250 1.2027 1.2368 6.5739 6.5831 6.8083 6.8122 7.3079 7.3237 7.7433 7.7542 7.9675 7.9688 8.7479 8.7537 9.1902 9.2035 9.3285 9.3450 9.9522 9.9546 13.6469 13.6695 13.8247 13.8333 14.0777 14.0869 15.3601 15.3682 k = 0.3295-0.0008-0.3304 ( 2732 PWs) bands (ev): -45.9477 -45.9477 -22.6859 -22.6846 -22.0477 -22.0459 -22.0188 -22.0178 -14.2553 -14.2553 -6.3925 -6.3867 -5.8058 -5.7972 -5.7146 -5.7091 -0.8206 -0.8027 1.0013 1.0196 1.2021 1.2364 6.5364 6.5448 6.7629 6.7659 7.2496 7.2636 7.7288 7.7406 7.9382 7.9400 8.7644 8.7713 9.1713 9.1859 9.3367 9.3540 9.9720 9.9738 13.6895 13.7117 13.8571 13.8657 14.1181 14.1270 15.3673 15.3755 k = 0.3384-0.0009-0.3393 ( 2736 PWs) bands (ev): -45.9477 -45.9477 -22.6866 -22.6853 -22.0489 -22.0472 -22.0191 -22.0181 -14.2511 -14.2510 -6.3791 -6.3733 -5.8045 -5.7959 -5.7140 -5.7084 -0.8222 -0.8042 0.9951 1.0131 1.2021 1.2361 6.5003 6.5081 6.7191 6.7214 7.1928 7.2053 7.7150 7.7275 7.9101 7.9122 8.7800 8.7879 9.1567 9.1729 9.3450 9.3634 9.9919 9.9935 13.7312 13.7531 13.8882 13.8969 14.1572 14.1656 15.3736 15.3818 k = 0.3473-0.0009-0.3482 ( 2728 PWs) bands (ev): -45.9476 -45.9476 -22.6872 -22.6860 -22.0500 -22.0483 -22.0193 -22.0184 -14.2470 -14.2470 -6.3651 -6.3593 -5.8033 -5.7947 -5.7141 -5.7085 -0.8241 -0.8060 0.9883 1.0056 1.2026 1.2360 6.4657 6.4729 6.6773 6.6788 7.1378 7.1488 7.7020 7.7149 7.8831 7.8855 8.7932 8.8019 9.1477 9.1657 9.3535 9.3731 10.0119 10.0135 13.7719 13.7933 13.9179 13.9268 14.1947 14.2028 15.3790 15.3871 k = 0.3562-0.0009-0.3571 ( 2722 PWs) bands (ev): -45.9476 -45.9476 -22.6879 -22.6867 -22.0511 -22.0495 -22.0196 -22.0187 -14.2432 -14.2431 -6.3505 -6.3447 -5.8021 -5.7935 -5.7150 -5.7093 -0.8261 -0.8082 0.9808 0.9973 1.2037 1.2362 6.4327 6.4392 6.6375 6.6382 7.0847 7.0945 7.6898 7.7028 7.8574 7.8601 8.8027 8.8117 9.1455 9.1651 9.3619 9.3829 10.0317 10.0337 13.8113 13.8324 13.9462 13.9552 14.2306 14.2382 15.3834 15.3915 k = 0.3651-0.0009-0.3661 ( 2722 PWs) bands (ev): -45.9476 -45.9476 -22.6885 -22.6873 -22.0521 -22.0506 -22.0199 -22.0190 -14.2396 -14.2395 -6.3354 -6.3297 -5.8010 -5.7924 -5.7167 -5.7110 -0.8283 -0.8106 0.9728 0.9883 1.2053 1.2365 6.4011 6.4070 6.5998 6.5999 7.0339 7.0425 7.6784 7.6913 7.8328 7.8358 8.8076 8.8166 9.1505 9.1716 9.3703 9.3929 10.0513 10.0536 13.8495 13.8700 13.9731 13.9822 14.2647 14.2720 15.3871 15.3950 k = 0.3741-0.0009-0.3750 ( 2728 PWs) bands (ev): -45.9475 -45.9475 -22.6891 -22.6880 -22.0532 -22.0517 -22.0201 -22.0193 -14.2361 -14.2361 -6.3199 -6.3143 -5.7999 -5.7913 -5.7193 -5.7134 -0.8307 -0.8133 0.9644 0.9790 1.2073 1.2370 6.3711 6.3764 6.5638 6.5645 6.9855 6.9929 7.6678 7.6805 7.8095 7.8128 8.8079 8.8162 9.1624 9.1849 9.3787 9.4030 10.0706 10.0732 13.8861 13.9062 13.9985 14.0077 14.2971 14.3039 15.3899 15.3977 k = 0.3830-0.0010-0.3839 ( 2730 PWs) bands (ev): -45.9475 -45.9475 -22.6896 -22.6886 -22.0541 -22.0527 -22.0203 -22.0196 -14.2329 -14.2329 -6.3041 -6.2986 -5.7990 -5.7903 -5.7225 -5.7165 -0.8330 -0.8162 0.9559 0.9693 1.2097 1.2377 6.3427 6.3473 6.5302 6.5315 6.9396 6.9460 7.6580 7.6703 7.7875 7.7910 8.8041 8.8115 9.1800 9.2038 9.3871 9.4133 10.0893 10.0922 13.9211 13.9407 14.0223 14.0317 14.3276 14.3339 15.3920 15.3996 k = 0.3919-0.0010-0.3929 ( 2730 PWs) bands (ev): -45.9474 -45.9474 -22.6901 -22.6892 -22.0550 -22.0537 -22.0205 -22.0198 -14.2299 -14.2299 -6.2881 -6.2828 -5.7981 -5.7893 -5.7265 -5.7204 -0.8355 -0.8193 0.9473 0.9597 1.2123 1.2384 6.3158 6.3199 6.4991 6.5010 6.8964 6.9018 7.6491 7.6609 7.7668 7.7705 8.7971 8.8036 9.2016 9.2267 9.3956 9.4238 10.1074 10.1105 13.9543 13.9734 14.0445 14.0542 14.3560 14.3619 15.3935 15.4008 k = 0.4008-0.0010-0.4018 ( 2734 PWs) bands (ev): -45.9474 -45.9474 -22.6906 -22.6897 -22.0558 -22.0546 -22.0207 -22.0200 -14.2272 -14.2271 -6.2721 -6.2670 -5.7973 -5.7884 -5.7311 -5.7248 -0.8378 -0.8224 0.9388 0.9502 1.2151 1.2393 6.2906 6.2941 6.4706 6.4731 6.8560 6.8606 7.6411 7.6523 7.7474 7.7512 8.7881 8.7935 9.2254 9.2521 9.4044 9.4345 10.1247 10.1280 13.9856 14.0042 14.0651 14.0750 14.3825 14.3878 15.3944 15.4015 k = 0.4097-0.0010-0.4107 ( 2732 PWs) bands (ev): -45.9474 -45.9474 -22.6911 -22.6902 -22.0565 -22.0554 -22.0209 -22.0203 -14.2246 -14.2246 -6.2563 -6.2513 -5.7966 -5.7876 -5.7363 -5.7298 -0.8401 -0.8256 0.9307 0.9410 1.2180 1.2401 6.2671 6.2701 6.4447 6.4477 6.8185 6.8224 7.6340 7.6446 7.7293 7.7333 8.7779 8.7823 9.2500 9.2781 9.4137 9.4456 10.1411 10.1445 14.0148 14.0329 14.0840 14.0942 14.4068 14.4117 15.3949 15.4015 k = 0.4186-0.0011-0.4196 ( 2732 PWs) bands (ev): -45.9473 -45.9473 -22.6915 -22.6907 -22.0572 -22.0561 -22.0210 -22.0205 -14.2223 -14.2223 -6.2407 -6.2359 -5.7960 -5.7868 -5.7420 -5.7352 -0.8423 -0.8288 0.9229 0.9322 1.2209 1.2410 6.2453 6.2480 6.4216 6.4248 6.7842 6.7873 7.6279 7.6377 7.7126 7.7167 8.7672 8.7708 9.2740 9.3032 9.4239 9.4570 10.1564 10.1598 14.0418 14.0594 14.1012 14.1117 14.4289 14.4333 15.3949 15.4012 k = 0.4275-0.0011-0.4286 ( 2732 PWs) bands (ev): -45.9473 -45.9473 -22.6918 -22.6911 -22.0578 -22.0568 -22.0212 -22.0207 -14.2203 -14.2202 -6.2256 -6.2211 -5.7956 -5.7861 -5.7479 -5.7409 -0.8442 -0.8319 0.9157 0.9239 1.2238 1.2417 6.2255 6.2277 6.4011 6.4045 6.7530 6.7555 7.6228 7.6318 7.6972 7.7013 8.7567 8.7595 9.2965 9.3259 9.4354 9.4688 10.1706 10.1738 14.0664 14.0835 14.1167 14.1276 14.4488 14.4527 15.3947 15.4004 k = 0.4364-0.0011-0.4375 ( 2732 PWs) bands (ev): -45.9473 -45.9473 -22.6921 -22.6915 -22.0583 -22.0575 -22.0213 -22.0208 -14.2184 -14.2184 -6.2112 -6.2071 -5.7952 -5.7856 -5.7540 -5.7466 -0.8460 -0.8349 0.9091 0.9163 1.2266 1.2424 6.2076 6.2095 6.3833 6.3867 6.7251 6.7271 7.6186 7.6268 7.6831 7.6873 8.7467 8.7489 9.3167 9.3452 9.4485 9.4808 10.1834 10.1865 14.0885 14.1051 14.1305 14.1418 14.4665 14.4699 15.3942 15.3995 k = 0.4453-0.0011-0.4464 ( 2726 PWs) bands (ev): -45.9473 -45.9473 -22.6923 -22.6918 -22.0587 -22.0580 -22.0213 -22.0210 -14.2168 -14.2168 -6.1978 -6.1941 -5.7951 -5.7852 -5.7600 -5.7522 -0.8475 -0.8378 0.9032 0.9095 1.2292 1.2429 6.1918 6.1934 6.3680 6.3713 6.7006 6.7021 7.6155 7.6230 7.6704 7.6745 8.7375 8.7393 9.3342 9.3603 9.4629 9.4925 10.1948 10.1977 14.1080 14.1240 14.1426 14.1542 14.4819 14.4849 15.3936 15.3983 k = 0.4542-0.0011-0.4554 ( 2724 PWs) bands (ev): -45.9473 -45.9473 -22.6925 -22.6921 -22.0591 -22.0585 -22.0214 -22.0211 -14.2155 -14.2155 -6.1857 -6.1824 -5.7950 -5.7851 -5.7655 -5.7574 -0.8487 -0.8404 0.8982 0.9035 1.2317 1.2432 6.1781 6.1795 6.3553 6.3583 6.6796 6.6807 7.6135 7.6202 7.6590 7.6631 8.7294 8.7307 9.3490 9.3715 9.4780 9.5037 10.2048 10.2073 14.1248 14.1400 14.1532 14.1648 14.4950 14.4975 15.3930 15.3970 k = 0.4631-0.0012-0.4643 ( 2728 PWs) bands (ev): -45.9472 -45.9472 -22.6927 -22.6924 -22.0594 -22.0589 -22.0215 -22.0212 -14.2144 -14.2144 -6.1750 -6.1723 -5.7951 -5.7855 -5.7701 -5.7621 -0.8496 -0.8428 0.8941 0.8983 1.2340 1.2433 6.1668 6.1679 6.3451 6.3477 6.6621 6.6630 7.6125 7.6185 7.6489 7.6529 8.7225 8.7235 9.3610 9.3793 9.4927 9.5136 10.2131 10.2152 14.1388 14.1524 14.1627 14.1736 14.5059 14.5079 15.3925 15.3958 k = 0.4720-0.0012-0.4732 ( 2728 PWs) bands (ev): -45.9472 -45.9472 -22.6929 -22.6926 -22.0596 -22.0593 -22.0215 -22.0213 -14.2135 -14.2135 -6.1662 -6.1640 -5.7951 -5.7867 -5.7732 -5.7661 -0.8501 -0.8449 0.8909 0.8941 1.2361 1.2431 6.1578 6.1587 6.3373 6.3394 6.6484 6.6489 7.6127 7.6180 7.6401 7.6441 8.7170 8.7178 9.3705 9.3843 9.5058 9.5216 10.2198 10.2215 14.1500 14.1609 14.1715 14.1804 14.5144 14.5159 15.3921 15.3946 k = 0.4809-0.0012-0.4821 ( 2728 PWs) bands (ev): -45.9472 -45.9472 -22.6929 -22.6928 -22.0598 -22.0595 -22.0215 -22.0214 -14.2129 -14.2129 -6.1594 -6.1579 -5.7949 -5.7887 -5.7747 -5.7694 -0.8502 -0.8467 0.8887 0.8909 1.2379 1.2427 6.1513 6.1519 6.3318 6.3332 6.6384 6.6387 7.6139 7.6187 7.6326 7.6365 8.7130 8.7135 9.3778 9.3871 9.5165 9.5273 10.2248 10.2260 14.1585 14.1660 14.1789 14.1851 14.5207 14.5217 15.3919 15.3936 k = 0.4898-0.0012-0.4911 ( 2724 PWs) bands (ev): -45.9472 -45.9472 -22.6930 -22.6929 -22.0598 -22.0597 -22.0215 -22.0214 -14.2125 -14.2125 -6.1549 -6.1541 -5.7944 -5.7909 -5.7748 -5.7719 -0.8500 -0.8481 0.8875 0.8887 1.2395 1.2421 6.1473 6.1476 6.3285 6.3293 6.6321 6.6323 7.6163 7.6206 7.6264 7.6303 8.7105 8.7108 9.3830 9.3879 9.5244 9.5301 10.2280 10.2287 14.1644 14.1684 14.1843 14.1876 14.5247 14.5252 15.3919 15.3928 k = 0.4987-0.0013-0.5000 ( 2716 PWs) bands (ev): -45.9472 -45.9472 -22.6929 -22.6929 -22.0598 -22.0598 -22.0215 -22.0215 -14.2123 -14.2123 -6.1529 -6.1528 -5.7932 -5.7928 -5.7740 -5.7736 -0.8494 -0.8492 0.8874 0.8875 1.2408 1.2411 6.1458 6.1459 6.3275 6.3276 6.6297 6.6298 7.6197 7.6208 7.6245 7.6255 8.7096 8.7097 9.3863 9.3869 9.5290 9.5297 10.2295 10.2295 14.1677 14.1682 14.1873 14.1877 14.5264 14.5264 15.3921 15.3922 k = 0.5013 0.4975-0.0025 ( 2716 PWs) bands (ev): -45.9472 -45.9472 -22.6929 -22.6929 -22.0598 -22.0598 -22.0215 -22.0215 -14.2123 -14.2123 -6.1530 -6.1529 -5.7932 -5.7928 -5.7739 -5.7736 -0.8494 -0.8492 0.8874 0.8875 1.2408 1.2411 6.1459 6.1459 6.3275 6.3276 6.6298 6.6298 7.6197 7.6208 7.6245 7.6255 8.7096 8.7096 9.3862 9.3868 9.5289 9.5296 10.2295 10.2296 14.1677 14.1682 14.1873 14.1877 14.5264 14.5264 15.3921 15.3922 k = 0.5000 0.4987-0.0025 ( 2716 PWs) bands (ev): -45.9472 -45.9472 -22.6929 -22.6929 -22.0598 -22.0598 -22.0215 -22.0215 -14.2123 -14.2123 -6.1529 -6.1529 -5.7930 -5.7930 -5.7737 -5.7737 -0.8493 -0.8493 0.8874 0.8874 1.2410 1.2410 6.1458 6.1458 6.3275 6.3275 6.6297 6.6297 7.6203 7.6203 7.6250 7.6250 8.7096 8.7096 9.3865 9.3865 9.5293 9.5293 10.2296 10.2296 14.1680 14.1680 14.1875 14.1875 14.5264 14.5264 15.3922 15.3922 k = 0.5000 0.4987-0.0025 ( 2716 PWs) bands (ev): -45.9472 -45.9472 -22.6929 -22.6929 -22.0598 -22.0598 -22.0215 -22.0215 -14.2123 -14.2123 -6.1529 -6.1529 -5.7930 -5.7930 -5.7737 -5.7737 -0.8493 -0.8493 0.8874 0.8874 1.2410 1.2410 6.1458 6.1458 6.3275 6.3275 6.6297 6.6297 7.6203 7.6203 7.6250 7.6250 8.7096 8.7096 9.3865 9.3865 9.5293 9.5293 10.2296 10.2296 14.1680 14.1680 14.1875 14.1875 14.5264 14.5264 15.3922 15.3922 k = 0.5000 0.4988 0.0099 ( 2718 PWs) bands (ev): -45.9472 -45.9472 -22.6930 -22.6929 -22.0598 -22.0598 -22.0216 -22.0215 -14.2122 -14.2122 -6.1522 -6.1521 -5.7929 -5.7926 -5.7735 -5.7735 -0.8519 -0.8489 0.8862 0.8863 1.2369 1.2409 6.1456 6.1463 6.3302 6.3305 6.6297 6.6297 7.6205 7.6211 7.6260 7.6261 8.7049 8.7054 9.3877 9.3877 9.5298 9.5302 10.2297 10.2297 14.1678 14.1692 14.1879 14.1881 14.5268 14.5268 15.3968 15.3979 k = 0.5001 0.4988 0.0223 ( 2724 PWs) bands (ev): -45.9472 -45.9472 -22.6931 -22.6929 -22.0598 -22.0598 -22.0218 -22.0217 -14.2119 -14.2119 -6.1500 -6.1497 -5.7922 -5.7916 -5.7729 -5.7728 -0.8565 -0.8505 0.8827 0.8827 1.2288 1.2367 6.1455 6.1468 6.3385 6.3391 6.6297 6.6297 7.6218 7.6230 7.6294 7.6295 8.6916 8.6923 9.3911 9.3912 9.5317 9.5323 10.2300 10.2300 14.1685 14.1714 14.1893 14.1898 14.5278 14.5280 15.4116 15.4140 k = 0.5001 0.4988 0.0348 ( 2724 PWs) bands (ev): -45.9472 -45.9472 -22.6932 -22.6930 -22.0598 -22.0598 -22.0221 -22.0219 -14.2114 -14.2114 -6.1462 -6.1458 -5.7910 -5.7901 -5.7717 -5.7717 -0.8631 -0.8542 0.8767 0.8768 1.2166 1.2284 6.1455 6.1474 6.3525 6.3534 6.6297 6.6297 7.6238 7.6259 7.6350 7.6351 8.6697 8.6708 9.3967 9.3969 9.5348 9.5358 10.2305 10.2305 14.1701 14.1745 14.1920 14.1929 14.5297 14.5298 15.4365 15.4399 k = 0.5001 0.4989 0.0472 ( 2724 PWs) bands (ev): -45.9472 -45.9472 -22.6934 -22.6931 -22.0597 -22.0597 -22.0226 -22.0222 -14.2107 -14.2107 -6.1408 -6.1404 -5.7893 -5.7881 -5.7702 -5.7701 -0.8718 -0.8600 0.8685 0.8686 1.2006 1.2161 6.1457 6.1480 6.3718 6.3732 6.6297 6.6297 7.6268 7.6297 7.6427 7.6429 8.6398 8.6412 9.4045 9.4048 9.5393 9.5405 10.2312 10.2312 14.1724 14.1782 14.1961 14.1975 14.5322 14.5324 15.4709 15.4752 k = 0.5002 0.4989 0.0597 ( 2732 PWs) bands (ev): -45.9472 -45.9472 -22.6936 -22.6933 -22.0597 -22.0597 -22.0232 -22.0227 -14.2098 -14.2098 -6.1341 -6.1336 -5.7870 -5.7855 -5.7682 -5.7681 -0.8824 -0.8678 0.8581 0.8582 1.1810 1.2000 6.1460 6.1486 6.3965 6.3982 6.6297 6.6297 7.6304 7.6343 7.6525 7.6528 8.6024 8.6040 9.4144 9.4149 9.5452 9.5466 10.2321 10.2321 14.1754 14.1824 14.2022 14.2039 14.5354 14.5356 15.5143 15.5194 k = 0.5002 0.4989 0.0721 ( 2734 PWs) bands (ev): -45.9472 -45.9472 -22.6939 -22.6935 -22.0597 -22.0597 -22.0238 -22.0233 -14.2088 -14.2088 -6.1258 -6.1252 -5.7843 -5.7824 -5.7657 -5.7657 -0.8948 -0.8775 0.8455 0.8456 1.1579 1.1803 6.1463 6.1490 6.4263 6.4283 6.6297 6.6297 7.6347 7.6395 7.6641 7.6646 8.5581 8.5599 9.4263 9.4269 9.5523 9.5540 10.2332 10.2332 14.1794 14.1871 14.2101 14.2120 14.5394 14.5396 15.5657 15.5715 k = 0.5002 0.4990 0.0845 ( 2739 PWs) bands (ev): -45.9471 -45.9471 -22.6942 -22.6937 -22.0596 -22.0596 -22.0246 -22.0240 -14.2075 -14.2075 -6.1162 -6.1155 -5.7810 -5.7789 -5.7629 -5.7628 -0.9091 -0.8891 0.8308 0.8310 1.1316 1.1573 6.1466 6.1494 6.4609 6.4631 6.6296 6.6298 7.6395 7.6454 7.6773 7.6780 8.5077 8.5095 9.4402 9.4410 9.5609 9.5626 10.2345 10.2345 14.1844 14.1926 14.2199 14.2219 14.5440 14.5442 15.6245 15.6308 k = 0.5003 0.4990 0.0970 ( 2740 PWs) bands (ev): -45.9471 -45.9471 -22.6945 -22.6939 -22.0596 -22.0596 -22.0254 -22.0248 -14.2061 -14.2061 -6.1052 -6.1044 -5.7773 -5.7749 -5.7596 -5.7596 -0.9250 -0.9025 0.8142 0.8145 1.1024 1.1310 6.1468 6.1496 6.4999 6.5021 6.6297 6.6299 7.6447 7.6517 7.6919 7.6929 8.4519 8.4537 9.4560 9.4570 9.5708 9.5726 10.2359 10.2360 14.1907 14.1992 14.2314 14.2333 14.5493 14.5495 15.6898 15.6965 k = 0.5003 0.4990 0.1094 ( 2741 PWs) bands (ev): -45.9471 -45.9471 -22.6948 -22.6942 -22.0595 -22.0595 -22.0263 -22.0256 -14.2045 -14.2045 -6.0928 -6.0919 -5.7731 -5.7704 -5.7560 -5.7560 -0.9424 -0.9177 0.7958 0.7961 1.0706 1.1020 6.1470 6.1498 6.5431 6.5449 6.6297 6.6303 7.6500 7.6583 7.7076 7.7088 8.3916 8.3933 9.4737 9.4749 9.5821 9.5840 10.2376 10.2377 14.1983 14.2069 14.2445 14.2463 14.5552 14.5554 15.7606 15.7676 k = 0.5003 0.4991 0.1218 ( 2738 PWs) bands (ev): -45.9471 -45.9471 -22.6951 -22.6945 -22.0595 -22.0594 -22.0273 -22.0265 -14.2028 -14.2028 -6.0793 -6.0783 -5.7684 -5.7654 -5.7520 -5.7520 -0.9614 -0.9344 0.7757 0.7761 1.0365 1.0704 6.1471 6.1498 6.5899 6.5903 6.6299 6.6317 7.6551 7.6647 7.7239 7.7254 8.3279 8.3293 9.4933 9.4948 9.5950 9.5969 10.2394 10.2395 14.2074 14.2159 14.2591 14.2607 14.5617 14.5619 15.8361 15.8432 k = 0.5003 0.4991 0.1343 ( 2736 PWs) bands (ev): -45.9470 -45.9470 -22.6955 -22.6948 -22.0594 -22.0593 -22.0284 -22.0275 -14.2009 -14.2009 -6.0646 -6.0635 -5.7634 -5.7601 -5.7477 -5.7477 -0.9816 -0.9526 0.7541 0.7545 1.0004 1.0365 6.1471 6.1497 6.6239 6.6285 6.6417 6.6479 7.6598 7.6708 7.7403 7.7423 8.2619 8.2629 9.5148 9.5164 9.6093 9.6112 10.2413 10.2415 14.2180 14.2263 14.2750 14.2765 14.5688 14.5689 15.9152 15.9224 k = 0.5004 0.4991 0.1467 ( 2735 PWs) bands (ev): -45.9470 -45.9470 -22.6959 -22.6952 -22.0593 -22.0592 -22.0295 -22.0286 -14.1989 -14.1989 -6.0488 -6.0476 -5.7579 -5.7544 -5.7430 -5.7430 -1.0031 -0.9722 0.7312 0.7316 0.9627 1.0007 6.1470 6.1495 6.6277 6.6295 6.6939 6.6965 7.6633 7.6758 7.7563 7.7588 8.1953 8.1957 9.5381 9.5399 9.6252 9.6271 10.2434 10.2436 14.2301 14.2382 14.2922 14.2935 14.5764 14.5765 15.9971 16.0043 k = 0.5004 0.4991 0.1592 ( 2736 PWs) bands (ev): -45.9470 -45.9470 -22.6964 -22.6956 -22.0592 -22.0592 -22.0307 -22.0297 -14.1968 -14.1967 -6.0319 -6.0306 -5.7522 -5.7483 -5.7381 -5.7380 -1.0256 -0.9931 0.7070 0.7075 0.9236 0.9633 6.1467 6.1490 6.6285 6.6297 6.7493 6.7504 7.6649 7.6785 7.7710 7.7741 8.1297 8.1304 9.5632 9.5652 9.6427 9.6446 10.2456 10.2459 14.2437 14.2514 14.3105 14.3118 14.5844 14.5845 16.0807 16.0879 k = 0.5004 0.4992 0.1716 ( 2732 PWs) bands (ev): -45.9469 -45.9469 -22.6968 -22.6960 -22.0591 -22.0591 -22.0319 -22.0309 -14.1945 -14.1945 -6.0142 -6.0128 -5.7460 -5.7419 -5.7328 -5.7328 -1.0490 -1.0150 0.6818 0.6823 0.8835 0.9246 6.1462 6.1484 6.6289 6.6298 6.8063 6.8067 7.6627 7.6772 7.7833 7.7869 8.0683 8.0706 9.5900 9.5922 9.6619 9.6638 10.2479 10.2482 14.2586 14.2659 14.3299 14.3310 14.5930 14.5930 16.1651 16.1723 k = 0.5005 0.4992 0.1840 ( 2728 PWs) bands (ev): -45.9469 -45.9469 -22.6972 -22.6964 -22.0590 -22.0590 -22.0332 -22.0321 -14.1922 -14.1922 -5.9957 -5.9942 -5.7397 -5.7353 -5.7274 -5.7272 -1.0731 -1.0379 0.6557 0.6563 0.8426 0.8848 6.1455 6.1476 6.6291 6.6300 6.8635 6.8656 7.6541 7.6681 7.7919 7.7954 8.0164 8.0209 9.6185 9.6208 9.6827 9.6846 10.2504 10.2507 14.2748 14.2818 14.3502 14.3513 14.6018 14.6019 16.2494 16.2566 k = 0.5005 0.4992 0.1965 ( 2726 PWs) bands (ev): -45.9469 -45.9469 -22.6977 -22.6968 -22.0589 -22.0589 -22.0345 -22.0334 -14.1897 -14.1897 -5.9764 -5.9748 -5.7330 -5.7284 -5.7217 -5.7215 -1.0979 -1.0616 0.6289 0.6295 0.8013 0.8443 6.1445 6.1465 6.6294 6.6301 6.9214 6.9254 7.6347 7.6466 7.7967 7.7982 7.9801 7.9869 9.6486 9.6509 9.7052 9.7071 10.2529 10.2533 14.2923 14.2987 14.3714 14.3724 14.6110 14.6111 16.3325 16.3397 k = 0.5005 0.4993 0.2089 ( 2732 PWs) bands (ev): -45.9468 -45.9468 -22.6982 -22.6973 -22.0588 -22.0588 -22.0359 -22.0347 -14.1873 -14.1873 -5.9565 -5.9549 -5.7262 -5.7213 -5.7158 -5.7155 -1.1231 -1.0860 0.6016 0.6023 0.7598 0.8034 6.1432 6.1450 6.6297 6.6303 6.9795 6.9856 7.6005 7.6090 7.7966 7.7998 7.9624 7.9703 9.6800 9.6825 9.7293 9.7312 10.2555 10.2560 14.3108 14.3168 14.3933 14.3942 14.6204 14.6206 16.4133 16.4207 k = 0.5006 0.4993 0.2213 ( 2730 PWs) bands (ev): -45.9468 -45.9468 -22.6987 -22.6978 -22.0587 -22.0587 -22.0372 -22.0361 -14.1847 -14.1847 -5.9362 -5.9344 -5.7193 -5.7140 -5.7097 -5.7093 -1.1486 -1.1109 0.5740 0.5747 0.7184 0.7622 6.1414 6.1431 6.6299 6.6306 7.0372 7.0457 7.5517 7.5569 7.7949 7.8038 7.9596 7.9674 9.7128 9.7153 9.7551 9.7569 10.2581 10.2587 14.3302 14.3358 14.4158 14.4167 14.6301 14.6304 16.4909 16.4985 k = 0.5006 0.4993 0.2338 ( 2728 PWs) bands (ev): -45.9468 -45.9468 -22.6992 -22.6983 -22.0586 -22.0585 -22.0386 -22.0374 -14.1822 -14.1821 -5.9154 -5.9136 -5.7122 -5.7067 -5.7035 -5.7030 -1.1742 -1.1361 0.5461 0.5470 0.6774 0.7211 6.1392 6.1408 6.6302 6.6308 7.0938 7.1050 7.4922 7.4953 7.7956 7.8100 7.9655 7.9727 9.7467 9.7492 9.7823 9.7841 10.2608 10.2615 14.3504 14.3556 14.4389 14.4397 14.6400 14.6403 16.5642 16.5722 k = 0.5006 0.4994 0.2462 ( 2730 PWs) bands (ev): -45.9467 -45.9467 -22.6998 -22.6988 -22.0585 -22.0585 -22.0400 -22.0388 -14.1796 -14.1795 -5.8945 -5.8925 -5.7052 -5.6995 -5.6970 -5.6965 -1.1997 -1.1616 0.5183 0.5192 0.6369 0.6804 6.1365 6.1380 6.6305 6.6311 7.1485 7.1627 7.4273 7.4291 7.7991 7.8182 7.9756 7.9823 9.7815 9.7841 9.8109 9.8128 10.2635 10.2643 14.3713 14.3760 14.4624 14.4631 14.6500 14.6504 16.6322 16.6407 k = 0.5007 0.4994 0.2587 ( 2732 PWs) bands (ev): -45.9467 -45.9467 -22.7003 -22.6993 -22.0584 -22.0584 -22.0414 -22.0402 -14.1770 -14.1770 -5.8734 -5.8713 -5.6981 -5.6925 -5.6902 -5.6898 -1.2251 -1.1870 0.4906 0.4916 0.5972 0.6401 6.1332 6.1346 6.6308 6.6314 7.1995 7.2167 7.3616 7.3626 7.8049 7.8281 7.9875 7.9937 9.8171 9.8196 9.8407 9.8427 10.2662 10.2671 14.3926 14.3969 14.4861 14.4868 14.6601 14.6606 16.6940 16.7032 k = 0.5007 0.4994 0.2711 ( 2728 PWs) bands (ev): -45.9466 -45.9466 -22.7008 -22.6998 -22.0583 -22.0583 -22.0427 -22.0415 -14.1744 -14.1744 -5.8523 -5.8501 -5.6912 -5.6859 -5.6831 -5.6830 -1.2502 -1.2124 0.4632 0.4643 0.5585 0.6006 6.1293 6.1305 6.6312 6.6317 7.2351 7.2507 7.3091 7.3133 7.8127 7.8396 8.0000 8.0059 9.8531 9.8556 9.8717 9.8737 10.2690 10.2699 14.4143 14.4182 14.5100 14.5107 14.6703 14.6708 16.7489 16.7591 k = 0.5007 0.4995 0.2835 ( 2742 PWs) bands (ev): -45.9466 -45.9466 -22.7013 -22.7004 -22.0583 -22.0582 -22.0441 -22.0429 -14.1718 -14.1718 -5.8314 -5.8291 -5.6845 -5.6795 -5.6762 -5.6756 -1.2747 -1.2375 0.4363 0.4375 0.5210 0.5621 6.1245 6.1256 6.6315 6.6320 7.2045 7.2087 7.3201 7.3392 7.8223 7.8526 8.0125 8.0181 9.8894 9.8917 9.9035 9.9057 10.2716 10.2727 14.4361 14.4397 14.5339 14.5345 14.6804 14.6810 16.7962 16.8077 k = 0.5008 0.4995 0.2960 ( 2736 PWs) bands (ev): -45.9466 -45.9466 -22.7018 -22.7009 -22.0582 -22.0581 -22.0453 -22.0442 -14.1693 -14.1693 -5.8108 -5.8083 -5.6779 -5.6732 -5.6692 -5.6683 -1.2987 -1.2622 0.4101 0.4114 0.4848 0.5246 6.1189 6.1200 6.6318 6.6323 7.1437 7.1459 7.3604 7.3846 7.8338 7.8669 8.0244 8.0299 9.9255 9.9277 9.9362 9.9384 10.2743 10.2755 14.4580 14.4612 14.5577 14.5583 14.6905 14.6912 16.8360 16.8489 k = 0.5008 0.4995 0.3084 ( 2732 PWs) bands (ev): -45.9465 -45.9465 -22.7023 -22.7014 -22.0581 -22.0580 -22.0466 -22.0454 -14.1668 -14.1668 -5.7906 -5.7880 -5.6716 -5.6671 -5.6623 -5.6610 -1.3218 -1.2864 0.3846 0.3860 0.4502 0.4884 6.1125 6.1134 6.6322 6.6326 7.0817 7.0835 7.4011 7.4284 7.8473 7.8827 8.0357 8.0410 9.9612 9.9631 9.9695 9.9716 10.2769 10.2783 14.4796 14.4825 14.5812 14.5818 14.7005 14.7012 16.8684 16.8829 k = 0.5008 0.4996 0.3208 ( 2742 PWs) bands (ev): -45.9465 -45.9465 -22.7028 -22.7019 -22.0581 -22.0580 -22.0478 -22.0467 -14.1645 -14.1644 -5.7709 -5.7682 -5.6654 -5.6611 -5.6555 -5.6540 -1.3441 -1.3098 0.3600 0.3616 0.4172 0.4537 6.1051 6.1059 6.6325 6.6329 7.0223 7.0238 7.4388 7.4685 7.8628 7.8998 8.0462 8.0515 9.9961 9.9973 10.0035 10.0053 10.2794 10.2810 14.5009 14.5035 14.6044 14.6049 14.7104 14.7112 16.8939 16.9101 k = 0.5008 0.4996 0.3333 ( 2738 PWs) bands (ev): -45.9465 -45.9465 -22.7032 -22.7024 -22.0580 -22.0579 -22.0490 -22.0479 -14.1622 -14.1621 -5.7520 -5.7491 -5.6596 -5.6552 -5.6488 -5.6472 -1.3653 -1.3325 0.3365 0.3382 0.3860 0.4206 6.0967 6.0974 6.6329 6.6333 6.9664 6.9678 7.4729 7.5041 7.8806 7.9183 8.0558 8.0611 10.0299 10.0304 10.0375 10.0389 10.2818 10.2836 14.5216 14.5239 14.6270 14.6275 14.7200 14.7209 16.9132 16.9312 k = 0.5009 0.4996 0.3457 ( 2746 PWs) bands (ev): -45.9464 -45.9464 -22.7037 -22.7029 -22.0580 -22.0579 -22.0501 -22.0491 -14.1600 -14.1599 -5.7340 -5.7308 -5.6539 -5.6495 -5.6423 -5.6406 -1.3854 -1.3542 0.3142 0.3160 0.3567 0.3892 6.0874 6.0880 6.6332 6.6336 6.9146 6.9159 7.5030 7.5347 7.9004 7.9377 8.0645 8.0699 10.0624 10.0625 10.0710 10.0721 10.2841 10.2861 14.5416 14.5437 14.6489 14.6494 14.7295 14.7304 16.9273 16.9470 k = 0.5009 0.4996 0.3581 ( 2748 PWs) bands (ev): -45.9464 -45.9464 -22.7041 -22.7033 -22.0580 -22.0578 -22.0511 -22.0501 -14.1579 -14.1579 -5.7169 -5.7135 -5.6485 -5.6439 -5.6360 -5.6344 -1.4042 -1.3748 0.2932 0.2952 0.3295 0.3597 6.0772 6.0777 6.6335 6.6339 6.8673 6.8684 7.5293 7.5605 7.9220 7.9579 8.0723 8.0778 10.0933 10.0939 10.1033 10.1043 10.2863 10.2886 14.5607 14.5625 14.6700 14.6705 14.7387 14.7396 16.9372 16.9586 k = 0.5009 0.4997 0.3706 ( 2746 PWs) bands (ev): -45.9464 -45.9464 -22.7044 -22.7037 -22.0579 -22.0578 -22.0520 -22.0511 -14.1559 -14.1559 -5.7011 -5.6974 -5.6434 -5.6385 -5.6300 -5.6286 -1.4216 -1.3942 0.2736 0.2757 0.3043 0.3321 6.0662 6.0666 6.6338 6.6341 6.8247 6.8257 7.5518 7.5818 7.9448 7.9784 8.0793 8.0850 10.1228 10.1238 10.1340 10.1350 10.2883 10.2909 14.5787 14.5803 14.6901 14.6905 14.7477 14.7485 16.9438 16.9668 k = 0.5010 0.4997 0.3830 ( 2750 PWs) bands (ev): -45.9463 -45.9463 -22.7048 -22.7042 -22.0579 -22.0578 -22.0529 -22.0520 -14.1541 -14.1541 -5.6866 -5.6825 -5.6384 -5.6333 -5.6245 -5.6231 -1.4375 -1.4123 0.2555 0.2578 0.2814 0.3066 6.0548 6.0551 6.6341 6.6344 6.7867 6.7876 7.5710 7.5989 7.9681 7.9985 8.0855 8.0915 10.1506 10.1520 10.1629 10.1640 10.2903 10.2932 14.5955 14.5969 14.7090 14.7094 14.7563 14.7571 16.9481 16.9724 k = 0.5010 0.4997 0.3955 ( 2752 PWs) bands (ev): -45.9463 -45.9463 -22.7051 -22.7045 -22.0579 -22.0578 -22.0536 -22.0529 -14.1525 -14.1525 -5.6735 -5.6692 -5.6337 -5.6282 -5.6193 -5.6181 -1.4519 -1.4290 0.2391 0.2414 0.2608 0.2833 6.0431 6.0433 6.6344 6.6347 6.7535 6.7543 7.5871 7.6125 7.9913 8.0179 8.0910 8.0974 10.1764 10.1782 10.1896 10.1909 10.2920 10.2954 14.6108 14.6121 14.7265 14.7269 14.7644 14.7652 16.9509 16.9760 k = 0.5010 0.4998 0.4079 ( 2752 PWs) bands (ev): -45.9463 -45.9463 -22.7054 -22.7049 -22.0580 -22.0578 -22.0543 -22.0536 -14.1510 -14.1510 -5.6622 -5.6576 -5.6289 -5.6232 -5.6145 -5.6136 -1.4647 -1.4442 0.2245 0.2268 0.2424 0.2622 6.0314 6.0316 6.6347 6.6349 6.7249 6.7256 7.6006 7.6231 8.0135 8.0359 8.0957 8.1026 10.2000 10.2022 10.2139 10.2154 10.2937 10.2976 14.6246 14.6257 14.7426 14.7429 14.7722 14.7729 16.9529 16.9783 k = 0.5011 0.4998 0.4203 ( 2757 PWs) bands (ev): -45.9463 -45.9463 -22.7056 -22.7052 -22.0580 -22.0579 -22.0548 -22.0542 -14.1497 -14.1497 -5.6526 -5.6480 -5.6242 -5.6183 -5.6102 -5.6096 -1.4757 -1.4578 0.2117 0.2140 0.2265 0.2435 6.0202 6.0203 6.6349 6.6351 6.7007 6.7012 7.6117 7.6312 8.0341 8.0519 8.0999 8.1074 10.2210 10.2236 10.2355 10.2372 10.2953 10.2997 14.6368 14.6377 14.7569 14.7572 14.7793 14.7799 16.9547 16.9794 k = 0.5011 0.4998 0.4328 ( 2764 PWs) bands (ev): -45.9463 -45.9463 -22.7059 -22.7055 -22.0582 -22.0581 -22.0552 -22.0547 -14.1485 -14.1485 -5.6449 -5.6406 -5.6192 -5.6137 -5.6063 -5.6060 -1.4850 -1.4697 0.2008 0.2030 0.2128 0.2271 6.0098 6.0099 6.6351 6.6352 6.6807 6.6811 7.6209 7.6373 8.0526 8.0657 8.1035 8.1117 10.2392 10.2422 10.2542 10.2560 10.2968 10.3018 14.6472 14.6480 14.7694 14.7696 14.7858 14.7864 16.9568 16.9796 k = 0.5011 0.4999 0.4452 ( 2772 PWs) bands (ev): -45.9463 -45.9463 -22.7061 -22.7058 -22.0583 -22.0582 -22.0556 -22.0551 -14.1476 -14.1476 -5.6389 -5.6353 -5.6144 -5.6095 -5.6029 -5.6029 -1.4925 -1.4799 0.1921 0.1939 0.2016 0.2131 6.0006 6.0007 6.6352 6.6354 6.6646 6.6649 7.6284 7.6416 8.0683 8.0768 8.1069 8.1156 10.2542 10.2577 10.2697 10.2716 10.2986 10.3041 14.6558 14.6565 14.7797 14.7799 14.7916 14.7920 16.9594 16.9784 k = 0.5012 0.4999 0.4576 ( 2786 PWs) bands (ev): -45.9463 -45.9463 -22.7062 -22.7060 -22.0584 -22.0584 -22.0558 -22.0555 -14.1468 -14.1468 -5.6345 -5.6317 -5.6100 -5.6062 -5.6001 -5.6001 -1.4981 -1.4884 0.1854 0.1868 0.1927 0.2017 5.9930 5.9930 6.6354 6.6355 6.6522 6.6525 7.6343 7.6445 8.0807 8.0852 8.1102 8.1189 10.2659 10.2697 10.2817 10.2835 10.3009 10.3065 14.6627 14.6631 14.7878 14.7878 14.7967 14.7969 16.9625 16.9754 k = 0.5012 0.4999 0.4701 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7062 -22.0586 -22.0586 -22.0560 -22.0558 -14.1463 -14.1463 -5.6313 -5.6294 -5.6066 -5.6039 -5.5979 -5.5978 -1.5018 -1.4950 0.1809 0.1817 0.1863 0.1927 5.9872 5.9872 6.6355 6.6355 6.6434 6.6435 7.6390 7.6460 8.0894 8.0911 8.1137 8.1211 10.2744 10.2778 10.2903 10.2913 10.3043 10.3088 14.6677 14.6680 14.7934 14.7934 14.8008 14.8009 16.9653 16.9710 k = 0.5012 0.5000 0.4825 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7063 -22.0587 -22.0587 -22.0560 -22.0559 -14.1459 -14.1459 -5.6293 -5.6283 -5.6042 -5.6027 -5.5963 -5.5962 -1.5036 -1.4997 0.1784 0.1786 0.1825 0.1864 5.9834 5.9834 6.6355 6.6355 6.6380 6.6380 7.6424 7.6464 8.0943 8.0946 8.1172 8.1220 10.2798 10.2821 10.2954 10.2957 10.3080 10.3106 14.6709 14.6711 14.7967 14.7968 14.8037 14.8037 16.9660 16.9670 k = 0.5013 0.5000 0.4950 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6283 -5.6280 -5.6029 -5.6026 -5.5955 -5.5955 -1.5034 -1.5025 0.1774 0.1774 0.1818 0.1828 5.9818 5.9818 6.6351 6.6352 6.6361 6.6361 7.6447 7.6456 8.0962 8.0962 8.1199 8.1211 10.2824 10.2830 10.2974 10.2974 10.3104 10.3110 14.6722 14.6723 14.7980 14.7980 14.8050 14.8050 16.9652 16.9660 k = 0.5013 0.5000 0.4950 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6283 -5.6280 -5.6029 -5.6026 -5.5955 -5.5955 -1.5034 -1.5025 0.1774 0.1774 0.1818 0.1828 5.9818 5.9818 6.6351 6.6352 6.6361 6.6361 7.6447 7.6456 8.0962 8.0962 8.1199 8.1211 10.2824 10.2830 10.2974 10.2974 10.3104 10.3110 14.6722 14.6723 14.7980 14.7980 14.8050 14.8050 16.9652 16.9653 k = 0.5000 0.4987 0.4975 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6281 -5.6281 -5.6027 -5.6027 -5.5955 -5.5955 -1.5030 -1.5030 0.1773 0.1773 0.1822 0.1822 5.9818 5.9818 6.6351 6.6351 6.6360 6.6360 7.6452 7.6452 8.0963 8.0963 8.1205 8.1205 10.2828 10.2828 10.2975 10.2975 10.3108 10.3108 14.6723 14.6723 14.7981 14.7981 14.8050 14.8050 16.9652 16.9652 k = 0.5000-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9482 -45.9482 -22.6791 -22.6791 -22.0434 -22.0434 -22.0060 -22.0060 -14.2881 -14.2881 -6.7366 -6.7366 -5.8016 -5.8016 -5.5442 -5.5442 -0.7346 -0.7346 1.1595 1.1595 1.3160 1.3160 6.4205 6.4205 7.6337 7.6337 7.6489 7.6489 8.2049 8.2049 8.2554 8.2554 8.6172 8.6172 8.7132 8.7132 9.3910 9.3910 9.5088 9.5088 12.8346 12.8346 14.1058 14.1058 14.1932 14.1932 14.7684 14.7684 k = 0.5000 0.0076 0.0076 ( 2754 PWs) bands (ev): -45.9482 -45.9482 -22.6791 -22.6790 -22.0435 -22.0434 -22.0061 -22.0061 -14.2880 -14.2880 -6.7359 -6.7359 -5.8014 -5.8014 -5.5446 -5.5446 -0.7348 -0.7347 1.1594 1.1594 1.3152 1.3156 6.4199 6.4205 7.6334 7.6342 7.6481 7.6489 8.1955 8.1987 8.2495 8.2498 8.6226 8.6232 8.7211 8.7215 9.3878 9.3885 9.5072 9.5073 12.8368 12.8369 14.1056 14.1061 14.1925 14.1935 14.7713 14.7722 k = 0.5001 0.0165 0.0165 ( 2750 PWs) bands (ev): -45.9482 -45.9482 -22.6792 -22.6791 -22.0435 -22.0434 -22.0061 -22.0061 -14.2877 -14.2877 -6.7336 -6.7336 -5.8010 -5.8010 -5.5457 -5.5456 -0.7354 -0.7352 1.1590 1.1590 1.3131 1.3139 6.4188 6.4199 7.6331 7.6348 7.6466 7.6479 8.1704 8.1769 8.2349 8.2358 8.6385 8.6393 8.7437 8.7443 9.3790 9.3804 9.5026 9.5028 12.8434 12.8435 14.1055 14.1063 14.1915 14.1935 14.7810 14.7827 k = 0.5001 0.0255 0.0254 ( 2752 PWs) bands (ev): -45.9482 -45.9482 -22.6793 -22.6791 -22.0436 -22.0434 -22.0064 -22.0064 -14.2871 -14.2871 -6.7298 -6.7298 -5.8003 -5.8003 -5.5476 -5.5474 -0.7364 -0.7361 1.1583 1.1584 1.3099 1.3111 6.4171 6.4188 7.6321 7.6355 7.6449 7.6461 8.1314 8.1406 8.2163 8.2176 8.6627 8.6635 8.7774 8.7782 9.3647 9.3667 9.4951 9.4953 12.8544 12.8545 14.1053 14.1065 14.1903 14.1932 14.7972 14.7997 k = 0.5002 0.0344 0.0343 ( 2752 PWs) bands (ev): -45.9482 -45.9482 -22.6795 -22.6793 -22.0437 -22.0435 -22.0067 -22.0066 -14.2863 -14.2863 -6.7246 -6.7245 -5.7993 -5.7993 -5.5501 -5.5498 -0.7377 -0.7374 1.1572 1.1573 1.3056 1.3071 6.4148 6.4171 7.6292 7.6353 7.6439 7.6444 8.0823 8.0938 8.1958 8.1972 8.6930 8.6936 8.8184 8.8191 9.3449 9.3476 9.4848 9.4851 12.8696 12.8698 14.1053 14.1069 14.1889 14.1926 14.8199 14.8230 k = 0.5002 0.0433 0.0432 ( 2754 PWs) bands (ev): -45.9482 -45.9482 -22.6797 -22.6794 -22.0438 -22.0436 -22.0070 -22.0070 -14.2853 -14.2852 -6.7178 -6.7177 -5.7980 -5.7980 -5.5532 -5.5529 -0.7395 -0.7392 1.1555 1.1558 1.3003 1.3021 6.4121 6.4149 7.6237 7.6323 7.6440 7.6442 8.0271 8.0407 8.1742 8.1756 8.7281 8.7285 8.8635 8.8641 9.3199 9.3233 9.4721 9.4724 12.8889 12.8891 14.1054 14.1073 14.1876 14.1920 14.8488 14.8525 k = 0.5003 0.0522 0.0520 ( 2755 PWs) bands (ev): -45.9482 -45.9482 -22.6799 -22.6796 -22.0440 -22.0437 -22.0075 -22.0075 -14.2840 -14.2840 -6.7096 -6.7094 -5.7965 -5.7965 -5.5570 -5.5566 -0.7417 -0.7414 1.1531 1.1535 1.2941 1.2963 6.4089 6.4123 7.6152 7.6263 7.6451 7.6452 7.9686 7.9845 8.1522 8.1535 8.7668 8.7669 8.9108 8.9109 9.2899 9.2940 9.4572 9.4576 12.9121 12.9124 14.1058 14.1080 14.1864 14.1914 14.8836 14.8877 k = 0.5003 0.0611 0.0609 ( 2749 PWs) bands (ev): -45.9482 -45.9482 -22.6802 -22.6798 -22.0442 -22.0438 -22.0080 -22.0079 -14.2825 -14.2825 -6.6999 -6.6997 -5.7946 -5.7946 -5.5613 -5.5609 -0.7444 -0.7443 1.1497 1.1502 1.2874 1.2898 6.4054 6.4092 7.6037 7.6172 7.6466 7.6467 7.9092 7.9275 8.1304 8.1314 8.8081 8.8082 8.9583 8.9588 9.2553 9.2601 9.4405 9.4408 12.9391 12.9395 14.1065 14.1090 14.1855 14.1909 14.9240 14.9285 k = 0.5004 0.0700 0.0698 ( 2751 PWs) bands (ev): -45.9481 -45.9481 -22.6805 -22.6801 -22.0444 -22.0439 -22.0085 -22.0085 -14.2808 -14.2808 -6.6887 -6.6885 -5.7926 -5.7926 -5.5662 -5.5657 -0.7477 -0.7477 1.1451 1.1457 1.2802 1.2827 6.4015 6.4058 7.5882 7.6045 7.6479 7.6483 7.8510 7.8720 8.1090 8.1099 8.8515 8.8518 9.0052 9.0066 9.2163 9.2221 9.4224 9.4227 12.9696 12.9700 14.1076 14.1104 14.1849 14.1907 14.9697 14.9744 k = 0.5004 0.0789 0.0787 ( 2751 PWs) bands (ev): -45.9481 -45.9481 -22.6809 -22.6804 -22.0446 -22.0441 -22.0092 -22.0092 -14.2790 -14.2789 -6.6762 -6.6760 -5.7902 -5.7902 -5.5715 -5.5710 -0.7519 -0.7517 1.1390 1.1397 1.2730 1.2754 6.3973 6.4020 7.5678 7.5867 7.6489 7.6495 7.7965 7.8200 8.0886 8.0892 8.8965 8.8971 9.0502 9.0534 9.1736 9.1812 9.4035 9.4036 13.0034 13.0039 14.1092 14.1123 14.1848 14.1909 15.0203 15.0253 k = 0.5004 0.0878 0.0876 ( 2752 PWs) bands (ev): -45.9481 -45.9481 -22.6813 -22.6808 -22.0448 -22.0443 -22.0100 -22.0099 -14.2769 -14.2768 -6.6622 -6.6620 -5.7876 -5.7876 -5.5773 -5.5767 -0.7568 -0.7563 1.1312 1.1318 1.2658 1.2679 6.3929 6.3980 7.5409 7.5616 7.6491 7.6501 7.7488 7.7738 8.0693 8.0697 8.9426 8.9435 9.0865 9.0953 9.1310 9.1443 9.3841 9.3841 13.0402 13.0408 14.1114 14.1147 14.1853 14.1916 15.0756 15.0806 k = 0.5005 0.0967 0.0965 ( 2749 PWs) bands (ev): -45.9481 -45.9481 -22.6817 -22.6812 -22.0451 -22.0445 -22.0108 -22.0107 -14.2746 -14.2746 -6.6469 -6.6466 -5.7847 -5.7847 -5.5834 -5.5828 -0.7626 -0.7617 1.1213 1.1218 1.2588 1.2605 6.3884 6.3938 7.5069 7.5274 7.6484 7.6497 7.7103 7.7349 8.0513 8.0515 8.9890 8.9906 9.0715 9.0723 9.1490 9.1546 9.3649 9.3651 13.0798 13.0804 14.1143 14.1178 14.1865 14.1929 15.1351 15.1402 k = 0.5005 0.1056 0.1053 ( 2746 PWs) bands (ev): -45.9480 -45.9480 -22.6822 -22.6816 -22.0453 -22.0447 -22.0116 -22.0116 -14.2721 -14.2721 -6.6303 -6.6300 -5.7816 -5.7816 -5.5898 -5.5891 -0.7692 -0.7679 1.1094 1.1096 1.2521 1.2531 6.3838 6.3895 7.4662 7.4845 7.6463 7.6480 7.6811 7.7034 8.0346 8.0347 9.0152 9.0179 9.0407 9.0442 9.1915 9.1932 9.3465 9.3471 13.1219 13.1226 14.1180 14.1216 14.1884 14.1949 15.1985 15.2037 k = 0.5006 0.1145 0.1142 ( 2744 PWs) bands (ev): -45.9480 -45.9480 -22.6827 -22.6820 -22.0456 -22.0449 -22.0125 -22.0125 -14.2695 -14.2694 -6.6124 -6.6120 -5.7783 -5.7783 -5.5964 -5.5956 -0.7767 -0.7749 1.0952 1.0954 1.2456 1.2456 6.3792 6.3851 7.4207 7.4359 7.6422 7.6441 7.6595 7.6783 8.0192 8.0195 8.9638 8.9655 9.0866 9.0866 9.2333 9.2334 9.3301 9.3315 13.1663 13.1670 14.1225 14.1262 14.1911 14.1977 15.2655 15.2707 k = 0.5006 0.1234 0.1231 ( 2744 PWs) bands (ev): -45.9479 -45.9479 -22.6832 -22.6825 -22.0459 -22.0451 -22.0135 -22.0135 -14.2666 -14.2666 -6.5932 -6.5928 -5.7747 -5.7747 -5.6031 -5.6023 -0.7853 -0.7828 1.0786 1.0792 1.2379 1.2391 6.3747 6.3806 7.3727 7.3846 7.6351 7.6355 7.6452 7.6586 8.0051 8.0057 8.9061 8.9086 9.1320 9.1325 9.2709 9.2734 9.3177 9.3208 13.2126 13.2134 14.1279 14.1317 14.1947 14.2013 15.3358 15.3410 k = 0.5007 0.1323 0.1320 ( 2748 PWs) bands (ev): -45.9479 -45.9479 -22.6838 -22.6831 -22.0462 -22.0454 -22.0146 -22.0146 -14.2637 -14.2636 -6.5728 -6.5723 -5.7710 -5.7709 -5.6099 -5.6091 -0.7948 -0.7917 1.0600 1.0611 1.2299 1.2323 6.3703 6.3762 7.3242 7.3331 7.6215 7.6237 7.6365 7.6437 7.9923 7.9931 8.8465 8.8494 9.1739 9.1749 9.2966 9.3021 9.3211 9.3269 13.2606 13.2615 14.1342 14.1381 14.1992 14.2058 15.4090 15.4141 k = 0.5007 0.1412 0.1409 ( 2744 PWs) bands (ev): -45.9479 -45.9479 -22.6843 -22.6836 -22.0465 -22.0457 -22.0157 -22.0157 -14.2605 -14.2605 -6.5513 -6.5507 -5.7670 -5.7670 -5.6167 -5.6159 -0.8054 -0.8016 1.0396 1.0413 1.2211 1.2249 6.3661 6.3718 7.2767 7.2830 7.6068 7.6087 7.6275 7.6318 7.9808 7.9818 8.7858 8.7888 9.2067 9.2081 9.3082 9.3104 9.3552 9.3576 13.3101 13.3110 14.1415 14.1454 14.2048 14.2113 15.4848 15.4898 k = 0.5008 0.1501 0.1498 ( 2746 PWs) bands (ev): -45.9478 -45.9478 -22.6850 -22.6842 -22.0469 -22.0460 -22.0169 -22.0168 -14.2573 -14.2573 -6.5286 -6.5280 -5.7628 -5.7628 -5.6234 -5.6226 -0.8171 -0.8125 1.0176 1.0197 1.2113 1.2167 6.3620 6.3676 7.2314 7.2353 7.5919 7.5920 7.6165 7.6197 7.9702 7.9714 8.7243 8.7273 9.2243 9.2258 9.3321 9.3331 9.3918 9.3929 13.3608 13.3618 14.1498 14.1538 14.2114 14.2178 15.5628 15.5678 k = 0.5008 0.1590 0.1586 ( 2746 PWs) bands (ev): -45.9478 -45.9478 -22.6856 -22.6848 -22.0472 -22.0463 -22.0181 -22.0180 -14.2539 -14.2539 -6.5048 -6.5042 -5.7585 -5.7584 -5.6300 -5.6291 -0.8298 -0.8243 0.9941 0.9968 1.2003 1.2074 6.3582 6.3634 7.1891 7.1908 7.5743 7.5768 7.6032 7.6062 7.9605 7.9618 8.6627 8.6656 9.2305 9.2319 9.3691 9.3699 9.4277 9.4280 13.4125 13.4136 14.1591 14.1631 14.2191 14.2254 15.6428 15.6477 k = 0.5009 0.1679 0.1675 ( 2748 PWs) bands (ev): -45.9477 -45.9477 -22.6863 -22.6854 -22.0476 -22.0467 -22.0193 -22.0193 -14.2504 -14.2504 -6.4801 -6.4794 -5.7540 -5.7539 -5.6364 -5.6355 -0.8436 -0.8372 0.9693 0.9725 1.1878 1.1966 6.3546 6.3593 7.1500 7.1505 7.5557 7.5609 7.5876 7.5906 7.9514 7.9529 8.6015 8.6042 9.2336 9.2347 9.4120 9.4128 9.4626 9.4626 13.4650 13.4661 14.1694 14.1735 14.2278 14.2341 15.7244 15.7292 k = 0.5009 0.1769 0.1764 ( 2746 PWs) bands (ev): -45.9477 -45.9477 -22.6869 -22.6861 -22.0479 -22.0470 -22.0206 -22.0205 -14.2468 -14.2468 -6.4544 -6.4536 -5.7493 -5.7492 -5.6425 -5.6416 -0.8585 -0.8512 0.9434 0.9471 1.1736 1.1841 6.3512 6.3553 7.1134 7.1161 7.5360 7.5441 7.5696 7.5728 7.9429 7.9446 8.5413 8.5437 9.2376 9.2385 9.4564 9.4575 9.4966 9.4969 13.5180 13.5191 14.1808 14.1849 14.2378 14.2439 15.8073 15.8120 k = 0.5009 0.1858 0.1853 ( 2746 PWs) bands (ev): -45.9476 -45.9476 -22.6876 -22.6868 -22.0483 -22.0473 -22.0219 -22.0218 -14.2431 -14.2431 -6.4278 -6.4269 -5.7445 -5.7444 -5.6483 -5.6473 -0.8744 -0.8661 0.9166 0.9207 1.1575 1.1698 6.3479 6.3514 7.0813 7.0863 7.5151 7.5262 7.5491 7.5527 7.9348 7.9365 8.4827 8.4848 9.2443 9.2449 9.5004 9.5018 9.5308 9.5311 13.5713 13.5725 14.1932 14.1973 14.2488 14.2548 15.8912 15.8958 k = 0.5010 0.1947 0.1942 ( 2744 PWs) bands (ev): -45.9476 -45.9476 -22.6883 -22.6874 -22.0487 -22.0477 -22.0232 -22.0232 -14.2393 -14.2393 -6.4004 -6.3994 -5.7396 -5.7395 -5.6537 -5.6527 -0.8913 -0.8820 0.8889 0.8934 1.1393 1.1535 6.3448 6.3475 7.0539 7.0614 7.4926 7.5069 7.5262 7.5301 7.9269 7.9288 8.4262 8.4280 9.2543 9.2548 9.5417 9.5435 9.5665 9.5667 13.6247 13.6259 14.2066 14.2106 14.2610 14.2669 15.9758 15.9803 k = 0.5010 0.2036 0.2031 ( 2744 PWs) bands (ev): -45.9475 -45.9475 -22.6891 -22.6882 -22.0490 -22.0480 -22.0246 -22.0246 -14.2354 -14.2354 -6.3722 -6.3712 -5.7346 -5.7345 -5.6586 -5.6576 -0.9092 -0.8989 0.8605 0.8654 1.1190 1.1351 6.3418 6.3436 7.0315 7.0416 7.4685 7.4860 7.5010 7.5053 7.9193 7.9212 8.3726 8.3740 9.2679 9.2683 9.5781 9.5803 9.6055 9.6057 13.6780 13.6793 14.2210 14.2250 14.2744 14.2801 16.0607 16.0651 k = 0.5011 0.2125 0.2119 ( 2744 PWs) bands (ev): -45.9475 -45.9475 -22.6898 -22.6889 -22.0494 -22.0484 -22.0260 -22.0259 -14.2315 -14.2315 -6.3434 -6.3422 -5.7295 -5.7293 -5.6631 -5.6621 -0.9281 -0.9167 0.8315 0.8368 1.0965 1.1144 6.3386 6.3397 7.0141 7.0270 7.4425 7.4632 7.4736 7.4781 7.9117 7.9138 8.3224 8.3235 9.2852 9.2855 9.6105 9.6128 9.6469 9.6472 13.7311 13.7325 14.2363 14.2402 14.2889 14.2944 16.1456 16.1499 k = 0.5011 0.2214 0.2208 ( 2742 PWs) bands (ev): -45.9474 -45.9474 -22.6905 -22.6896 -22.0498 -22.0488 -22.0274 -22.0273 -14.2276 -14.2276 -6.3139 -6.3127 -5.7244 -5.7241 -5.6670 -5.6660 -0.9478 -0.9353 0.8020 0.8078 1.0718 1.0914 6.3354 6.3356 7.0016 7.0176 7.4146 7.4382 7.4447 7.4489 7.9042 7.9063 8.2762 8.2770 9.3062 9.3063 9.6407 9.6431 9.6887 9.6892 13.7838 13.7852 14.2526 14.2564 14.3044 14.3098 16.2302 16.2344 k = 0.5012 0.2303 0.2297 ( 2739 PWs) bands (ev): -45.9473 -45.9473 -22.6913 -22.6903 -22.0502 -22.0492 -22.0288 -22.0287 -14.2236 -14.2236 -6.2839 -6.2826 -5.7192 -5.7189 -5.6704 -5.6693 -0.9684 -0.9548 0.7722 0.7783 1.0448 1.0662 6.3313 6.3319 6.9937 7.0132 7.3848 7.4096 7.4158 7.4176 7.8967 7.8988 8.2346 8.2352 9.3306 9.3306 9.6695 9.6720 9.7300 9.7306 13.8359 13.8373 14.2696 14.2734 14.3210 14.3262 16.3141 16.3182 k = 0.5012 0.2392 0.2386 ( 2741 PWs) bands (ev): -45.9473 -45.9473 -22.6920 -22.6911 -22.0506 -22.0496 -22.0302 -22.0301 -14.2196 -14.2196 -6.2534 -6.2521 -5.7141 -5.7137 -5.6731 -5.6720 -0.9897 -0.9751 0.7422 0.7486 1.0157 1.0387 6.3268 6.3281 6.9902 7.0134 7.3532 7.3773 7.3847 7.3874 7.8892 7.8913 8.1978 8.1983 9.3582 9.3582 9.6975 9.7001 9.7702 9.7709 13.8873 13.8887 14.2875 14.2912 14.3385 14.3435 16.3969 16.4009 k = 0.5013 0.2481 0.2475 ( 2737 PWs) bands (ev): -45.9472 -45.9472 -22.6928 -22.6918 -22.0510 -22.0499 -22.0316 -22.0316 -14.2156 -14.2156 -6.2226 -6.2211 -5.7090 -5.7085 -5.6752 -5.6739 -1.0117 -0.9960 0.7120 0.7187 0.9845 1.0091 6.3219 6.3238 6.9902 7.0178 7.3204 7.3429 7.3505 7.3590 7.8818 7.8837 8.1661 8.1665 9.3887 9.3889 9.7249 9.7275 9.8091 9.8100 13.9378 13.9393 14.3062 14.3098 14.3570 14.3618 16.4783 16.4822 k = 0.5013 0.2570 0.2564 ( 2738 PWs) bands (ev): -45.9472 -45.9472 -22.6935 -22.6926 -22.0514 -22.0503 -22.0330 -22.0330 -14.2117 -14.2116 -6.1915 -6.1899 -5.7041 -5.7034 -5.6765 -5.6752 -1.0343 -1.0177 0.6819 0.6888 0.9514 0.9775 6.3167 6.3190 6.9927 7.0253 7.2868 7.3072 7.3156 7.3309 7.8746 7.8760 8.1394 8.1398 9.4220 9.4222 9.7517 9.7544 9.8467 9.8476 13.9874 13.9888 14.3255 14.3290 14.3763 14.3809 16.5579 16.5616 k = 0.5013 0.2659 0.2652 ( 2740 PWs) bands (ev): -45.9471 -45.9471 -22.6943 -22.6934 -22.0518 -22.0508 -22.0345 -22.0344 -14.2077 -14.2077 -6.1602 -6.1586 -5.6994 -5.6986 -5.6770 -5.6755 -1.0574 -1.0398 0.6518 0.6589 0.9165 0.9439 6.3109 6.3136 6.9961 7.0340 7.2537 7.2706 7.2811 7.3046 7.8678 7.8686 8.1176 8.1181 9.4576 9.4580 9.7780 9.7808 9.8828 9.8837 14.0358 14.0372 14.3455 14.3489 14.3963 14.4007 16.6351 16.6387 k = 0.5014 0.2748 0.2741 ( 2741 PWs) bands (ev): -45.9471 -45.9471 -22.6951 -22.6941 -22.0522 -22.0512 -22.0359 -22.0358 -14.2038 -14.2038 -6.1288 -6.1271 -5.6950 -5.6941 -5.6766 -5.6749 -1.0810 -1.0625 0.6219 0.6291 0.8800 0.9087 6.3046 6.3076 6.9980 7.0406 7.2217 7.2335 7.2498 7.2826 7.8615 7.8616 8.1002 8.1008 9.4954 9.4958 9.8040 9.8068 9.9173 9.9183 14.0830 14.0844 14.3660 14.3693 14.4169 14.4211 16.7094 16.7129 k = 0.5014 0.2837 0.2830 ( 2744 PWs) bands (ev): -45.9470 -45.9470 -22.6958 -22.6949 -22.0526 -22.0516 -22.0373 -22.0372 -14.1999 -14.1999 -6.0974 -6.0957 -5.6912 -5.6901 -5.6751 -5.6733 -1.1049 -1.0856 0.5923 0.5997 0.8423 0.8720 6.2977 6.3007 6.9957 7.0401 7.1896 7.1960 7.2286 7.2675 7.8551 7.8564 8.0868 8.0874 9.5350 9.5355 9.8297 9.8326 9.9502 9.9513 14.1288 14.1302 14.3871 14.3902 14.4381 14.4421 16.7803 16.7837 k = 0.5015 0.2926 0.2919 ( 2746 PWs) bands (ev): -45.9470 -45.9470 -22.6966 -22.6957 -22.0529 -22.0520 -22.0387 -22.0386 -14.1961 -14.1960 -6.0662 -6.0643 -5.6878 -5.6867 -5.6724 -5.6706 -1.1291 -1.1091 0.5631 0.5706 0.8034 0.8341 6.2900 6.2930 6.9865 7.0278 7.1553 7.1586 7.2246 7.2622 7.8495 7.8524 8.0767 8.0774 9.5761 9.5767 9.8552 9.8581 9.9815 9.9827 14.1732 14.1746 14.4086 14.4115 14.4597 14.4635 16.8472 16.8504 k = 0.5015 0.3015 0.3008 ( 2752 PWs) bands (ev): -45.9469 -45.9469 -22.6973 -22.6964 -22.0533 -22.0524 -22.0400 -22.0399 -14.1923 -14.1923 -6.0351 -6.0332 -5.6848 -5.6837 -5.6688 -5.6671 -1.1534 -1.1327 0.5344 0.5419 0.7637 0.7952 6.2814 6.2842 6.9697 7.0041 7.1195 7.1214 7.2368 7.2675 7.8451 7.8498 8.0696 8.0703 9.6184 9.6190 9.8805 9.8833 10.0112 10.0125 14.2161 14.2174 14.4305 14.4333 14.4816 14.4852 16.9093 16.9123 k = 0.5016 0.3104 0.3097 ( 2744 PWs) bands (ev): -45.9468 -45.9468 -22.6980 -22.6971 -22.0536 -22.0527 -22.0413 -22.0412 -14.1886 -14.1886 -6.0043 -6.0024 -5.6819 -5.6809 -5.6645 -5.6630 -1.1779 -1.1566 0.5062 0.5137 0.7235 0.7555 6.2718 6.2744 6.9465 6.9734 7.0833 7.0846 7.2598 7.2822 7.8422 7.8489 8.0649 8.0656 9.6615 9.6623 9.9056 9.9084 10.0393 10.0406 14.2573 14.2586 14.4527 14.4553 14.5037 14.5070 16.9658 16.9687 k = 0.5016 0.3194 0.3185 ( 2744 PWs) bands (ev): -45.9468 -45.9468 -22.6987 -22.6978 -22.0540 -22.0531 -22.0426 -22.0425 -14.1850 -14.1850 -5.9739 -5.9720 -5.6789 -5.6779 -5.6600 -5.6585 -1.2022 -1.1805 0.4787 0.4862 0.6829 0.7154 6.2610 6.2634 6.9191 6.9397 7.0473 7.0483 7.2894 7.3039 7.8408 7.8498 8.0620 8.0628 9.7053 9.7062 9.9307 9.9334 10.0658 10.0672 14.2968 14.2979 14.4752 14.4776 14.5258 14.5289 17.0160 17.0187 k = 0.5017 0.3283 0.3274 ( 2742 PWs) bands (ev): -45.9467 -45.9467 -22.6994 -22.6985 -22.0543 -22.0535 -22.0438 -22.0437 -14.1816 -14.1816 -5.9441 -5.9421 -5.6758 -5.6748 -5.6553 -5.6540 -1.2264 -1.2043 0.4520 0.4595 0.6424 0.6751 6.2490 6.2511 6.8897 6.9054 7.0120 7.0127 7.3227 7.3304 7.8412 7.8527 8.0608 8.0615 9.7494 9.7503 9.9556 9.9583 10.0907 10.0921 14.3344 14.3354 14.4979 14.5001 14.5478 14.5507 17.0591 17.0615 k = 0.5017 0.3372 0.3363 ( 2746 PWs) bands (ev): -45.9467 -45.9467 -22.7000 -22.6992 -22.0546 -22.0538 -22.0451 -22.0449 -14.1782 -14.1782 -5.9149 -5.9129 -5.6724 -5.6714 -5.6506 -5.6493 -1.2504 -1.2281 0.4262 0.4335 0.6022 0.6348 6.2357 6.2375 6.8600 6.8720 6.9774 6.9780 7.3579 7.3598 7.8437 7.8578 8.0609 8.0615 9.7934 9.7945 9.9804 9.9830 10.1140 10.1155 14.3701 14.3710 14.5207 14.5227 14.5696 14.5723 17.0942 17.0965 k = 0.5018 0.3461 0.3452 ( 2746 PWs) bands (ev): -45.9467 -45.9467 -22.7007 -22.6999 -22.0549 -22.0542 -22.0463 -22.0461 -14.1750 -14.1750 -5.8864 -5.8845 -5.6687 -5.6676 -5.6459 -5.6447 -1.2739 -1.2515 0.4012 0.4084 0.5625 0.5950 6.2210 6.2226 6.8312 6.8403 6.9439 6.9444 7.3904 7.3936 7.8485 7.8652 8.0619 8.0625 9.8372 9.8384 10.0051 10.0076 10.1357 10.1374 14.4038 14.4045 14.5436 14.5454 14.5911 14.5936 17.1210 17.1231 k = 0.5018 0.3550 0.3541 ( 2744 PWs) bands (ev): -45.9466 -45.9466 -22.7013 -22.7005 -22.0552 -22.0545 -22.0474 -22.0472 -14.1719 -14.1719 -5.8588 -5.8569 -5.6648 -5.6637 -5.6414 -5.6402 -1.2970 -1.2746 0.3773 0.3842 0.5236 0.5557 6.2051 6.2063 6.8040 6.8109 6.9115 6.9119 7.4211 7.4288 7.8557 7.8750 8.0638 8.0644 9.8804 9.8818 10.0296 10.0320 10.1560 10.1577 14.4355 14.4360 14.5666 14.5681 14.6121 14.6144 17.1391 17.1411 k = 0.5018 0.3639 0.3630 ( 2745 PWs) bands (ev): -45.9466 -45.9466 -22.7018 -22.7011 -22.0555 -22.0549 -22.0484 -22.0482 -14.1689 -14.1689 -5.8321 -5.8304 -5.6607 -5.6594 -5.6369 -5.6357 -1.3194 -1.2973 0.3544 0.3611 0.4859 0.5173 6.1879 6.1889 6.7788 6.7840 6.8804 6.8808 7.4509 7.4624 7.8655 7.8872 8.0662 8.0669 9.9228 9.9243 10.0539 10.0562 10.1748 10.1766 14.4649 14.4653 14.5894 14.5907 14.6325 14.6346 17.1489 17.1509 k = 0.5019 0.3728 0.3718 ( 2743 PWs) bands (ev): -45.9465 -45.9465 -22.7024 -22.7017 -22.0558 -22.0552 -22.0494 -22.0492 -14.1661 -14.1661 -5.8065 -5.8050 -5.6565 -5.6551 -5.6326 -5.6314 -1.3411 -1.3194 0.3327 0.3391 0.4494 0.4801 6.1698 6.1706 6.7560 6.7600 6.8508 6.8512 7.4791 7.4937 7.8782 7.9018 8.0692 8.0698 9.9641 9.9657 10.0780 10.0800 10.1921 10.1941 14.4923 14.4924 14.6119 14.6130 14.6522 14.6541 17.1510 17.1530 k = 0.5019 0.3817 0.3807 ( 2744 PWs) bands (ev): -45.9465 -45.9465 -22.7029 -22.7022 -22.0560 -22.0555 -22.0503 -22.0501 -14.1634 -14.1634 -5.7822 -5.7808 -5.6522 -5.6506 -5.6284 -5.6273 -1.3619 -1.3407 0.3121 0.3183 0.4146 0.4442 6.1509 6.1515 6.7357 6.7386 6.8228 6.8231 7.5050 7.5220 7.8937 7.9185 8.0724 8.0731 10.0039 10.0057 10.1016 10.1036 10.2081 10.2101 14.5175 14.5175 14.6340 14.6349 14.6710 14.6728 17.1463 17.1486 k = 0.5020 0.3906 0.3896 ( 2748 PWs) bands (ev): -45.9464 -45.9464 -22.7034 -22.7028 -22.0563 -22.0559 -22.0512 -22.0510 -14.1609 -14.1609 -5.7591 -5.7580 -5.6478 -5.6460 -5.6245 -5.6233 -1.3817 -1.3613 0.2929 0.2987 0.3815 0.4099 6.1316 6.1320 6.7178 6.7200 6.7964 6.7967 7.5284 7.5469 7.9117 7.9372 8.0759 8.0767 10.0420 10.0441 10.1247 10.1265 10.2227 10.2249 14.5405 14.5407 14.6555 14.6562 14.6889 14.6905 17.1361 17.1388 k = 0.5020 0.3995 0.3985 ( 2746 PWs) bands (ev): -45.9464 -45.9464 -22.7038 -22.7033 -22.0566 -22.0562 -22.0520 -22.0518 -14.1586 -14.1586 -5.7374 -5.7366 -5.6435 -5.6414 -5.6207 -5.6195 -1.4004 -1.3809 0.2750 0.2804 0.3505 0.3774 6.1122 6.1125 6.7022 6.7038 6.7718 6.7721 7.5491 7.5683 7.9320 7.9572 8.0795 8.0804 10.0782 10.0806 10.1472 10.1489 10.2360 10.2383 14.5615 14.5618 14.6762 14.6767 14.7058 14.7072 17.1218 17.1250 k = 0.5021 0.4084 0.4074 ( 2744 PWs) bands (ev): -45.9464 -45.9464 -22.7042 -22.7037 -22.0568 -22.0565 -22.0528 -22.0525 -14.1564 -14.1564 -5.7173 -5.7169 -5.6392 -5.6368 -5.6171 -5.6160 -1.4179 -1.3994 0.2585 0.2635 0.3216 0.3468 6.0931 6.0932 6.6888 6.6900 6.7491 6.7493 7.5672 7.5863 7.9539 7.9781 8.0831 8.0842 10.1122 10.1148 10.1688 10.1705 10.2480 10.2506 14.5806 14.5810 14.6958 14.6961 14.7216 14.7229 17.1044 17.1083 k = 0.5021 0.4173 0.4163 ( 2742 PWs) bands (ev): -45.9464 -45.9464 -22.7046 -22.7041 -22.0570 -22.0568 -22.0534 -22.0531 -14.1545 -14.1545 -5.6989 -5.6989 -5.6351 -5.6323 -5.6138 -5.6126 -1.4340 -1.4167 0.2434 0.2480 0.2951 0.3185 6.0746 6.0747 6.6774 6.6782 6.7282 6.7284 7.5827 7.6011 7.9766 7.9990 8.0867 8.0881 10.1437 10.1467 10.1895 10.1910 10.2588 10.2616 14.5977 14.5982 14.7142 14.7144 14.7362 14.7373 17.0853 17.0899 k = 0.5022 0.4262 0.4251 ( 2748 PWs) bands (ev): -45.9463 -45.9463 -22.7050 -22.7045 -22.0573 -22.0571 -22.0540 -22.0537 -14.1527 -14.1527 -5.6828 -5.6823 -5.6310 -5.6278 -5.6106 -5.6095 -1.4487 -1.4328 0.2297 0.2339 0.2711 0.2924 6.0570 6.0571 6.6677 6.6683 6.7094 6.7095 7.5960 7.6131 7.9992 8.0194 8.0901 8.0919 10.1724 10.1758 10.2089 10.2104 10.2685 10.2714 14.6131 14.6136 14.7311 14.7312 14.7496 14.7505 17.0654 17.0706 k = 0.5022 0.4351 0.4340 ( 2752 PWs) bands (ev): -45.9463 -45.9463 -22.7053 -22.7049 -22.0575 -22.0574 -22.0545 -22.0542 -14.1511 -14.1511 -5.6688 -5.6677 -5.6270 -5.6234 -5.6078 -5.6067 -1.4618 -1.4474 0.2176 0.2212 0.2497 0.2689 6.0408 6.0409 6.6596 6.6600 6.6926 6.6927 7.6073 7.6227 8.0211 8.0385 8.0935 8.0958 10.1981 10.2019 10.2269 10.2285 10.2770 10.2802 14.6267 14.6272 14.7464 14.7465 14.7616 14.7623 17.0456 17.0510 k = 0.5022 0.4440 0.4429 ( 2756 PWs) bands (ev): -45.9463 -45.9463 -22.7056 -22.7052 -22.0578 -22.0577 -22.0549 -22.0546 -14.1497 -14.1497 -5.6570 -5.6553 -5.6229 -5.6190 -5.6051 -5.6042 -1.4733 -1.4605 0.2071 0.2101 0.2312 0.2479 6.0261 6.0262 6.6529 6.6532 6.6779 6.6780 7.6167 7.6303 8.0414 8.0556 8.0967 8.0999 10.2205 10.2248 10.2434 10.2450 10.2844 10.2878 14.6385 14.6390 14.7599 14.7600 14.7723 14.7728 17.0268 17.0316 k = 0.5023 0.4529 0.4518 ( 2760 PWs) bands (ev): -45.9463 -45.9463 -22.7058 -22.7055 -22.0580 -22.0579 -22.0552 -22.0550 -14.1486 -14.1486 -5.6474 -5.6454 -5.6187 -5.6147 -5.6028 -5.6019 -1.4830 -1.4720 0.1981 0.2006 0.2155 0.2297 6.0133 6.0133 6.6475 6.6477 6.6653 6.6654 7.6245 7.6362 8.0594 8.0698 8.1000 8.1043 10.2394 10.2441 10.2582 10.2598 10.2909 10.2945 14.6485 14.6490 14.7715 14.7716 14.7816 14.7820 17.0096 17.0125 k = 0.5023 0.4618 0.4607 ( 2778 PWs) bands (ev): -45.9463 -45.9463 -22.7060 -22.7058 -22.0582 -22.0582 -22.0556 -22.0553 -14.1476 -14.1476 -5.6402 -5.6380 -5.6144 -5.6106 -5.6007 -5.6000 -1.4909 -1.4818 0.1908 0.1926 0.2027 0.2143 6.0024 6.0024 6.6432 6.6433 6.6549 6.6550 7.6310 7.6405 8.0742 8.0807 8.1035 8.1091 10.2547 10.2593 10.2712 10.2726 10.2964 10.3001 14.6568 14.6572 14.7809 14.7811 14.7895 14.7897 16.9946 16.9959 k = 0.5024 0.4708 0.4696 ( 2796 PWs) bands (ev): -45.9463 -45.9463 -22.7063 -22.7061 -22.0585 -22.0584 -22.0558 -22.0556 -14.1468 -14.1468 -5.6349 -5.6330 -5.6101 -5.6071 -5.5988 -5.5983 -1.4969 -1.4898 0.1850 0.1862 0.1930 0.2018 5.9937 5.9938 6.6399 6.6400 6.6467 6.6468 7.6361 7.6435 8.0851 8.0880 8.1077 8.1142 10.2664 10.2704 10.2822 10.2831 10.3012 10.3048 14.6633 14.6636 14.7883 14.7885 14.7959 14.7960 16.9823 16.9826 k = 0.5024 0.4797 0.4784 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7062 -22.0586 -22.0586 -22.0559 -22.0558 -14.1463 -14.1463 -5.6314 -5.6300 -5.6066 -5.6044 -5.5972 -5.5970 -1.5011 -1.4960 0.1809 0.1814 0.1864 0.1923 5.9874 5.9874 6.6375 6.6376 6.6408 6.6409 7.6401 7.6453 8.0917 8.0926 8.1127 8.1185 10.2747 10.2778 10.2904 10.2908 10.3053 10.3083 14.6680 14.6683 14.7935 14.7937 14.8007 14.8007 16.9727 16.9733 k = 0.5025 0.4886 0.4873 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7063 -22.0587 -22.0587 -22.0560 -22.0559 -14.1459 -14.1459 -5.6292 -5.6284 -5.6041 -5.6029 -5.5961 -5.5960 -1.5032 -1.5002 0.1783 0.1785 0.1826 0.1860 5.9834 5.9834 6.6360 6.6360 6.6372 6.6373 7.6429 7.6460 8.0950 8.0951 8.1172 8.1210 10.2800 10.2819 10.2955 10.2956 10.3085 10.3105 14.6710 14.6712 14.7968 14.7969 14.8038 14.8038 16.9671 16.9675 k = 0.5025 0.4975 0.4962 ( 2800 PWs) bands (ev): -45.9463 -45.9463 -22.7064 -22.7064 -22.0587 -22.0587 -22.0560 -22.0560 -14.1458 -14.1458 -5.6283 -5.6280 -5.6029 -5.6026 -5.5955 -5.5955 -1.5034 -1.5025 0.1774 0.1774 0.1818 0.1828 5.9818 5.9818 6.6351 6.6352 6.6361 6.6361 7.6447 7.6456 8.0962 8.0962 8.1199 8.1211 10.2824 10.2830 10.2974 10.2974 10.3104 10.3110 14.6722 14.6723 14.7980 14.7980 14.8050 14.8050 16.9652 16.9652 Writing output data file BaTiO3.save init_run : 4.09s CPU 12.83s WALL ( 1 calls) electrons : 677.34s CPU 684.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 1.01s CPU 2.05s WALL ( 1 calls) Called by electrons: c_bands : 677.30s CPU 684.17s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.64s WALL ( 1 calls) newd : 0.46s CPU 0.56s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 328 calls) cegterg : 656.16s CPU 660.52s WALL ( 1150 calls) Called by sum_band: Called by *egterg: h_psi : 219.92s CPU 231.15s WALL ( 21491 calls) s_psi : 26.30s CPU 26.60s WALL ( 21491 calls) g_psi : 0.49s CPU 0.59s WALL ( 20013 calls) cdiaghg : 312.04s CPU 306.76s WALL ( 20341 calls) cegterg:over : 50.17s CPU 47.54s WALL ( 20013 calls) cegterg:upda : 6.59s CPU 10.58s WALL ( 20013 calls) cegterg:last : 6.32s CPU 7.26s WALL ( 2504 calls) Called by h_psi: h_psi:vloc : 170.04s CPU 179.66s WALL ( 21491 calls) h_psi:vnl : 49.69s CPU 50.82s WALL ( 21491 calls) add_vuspsi : 16.92s CPU 20.15s WALL ( 21491 calls) General routines calbec : 32.71s CPU 30.49s WALL ( 21491 calls) fft : 0.79s CPU 1.42s WALL ( 19 calls) ffts : 0.58s CPU 0.59s WALL ( 4 calls) fftw : 158.80s CPU 164.14s WALL ( 1396892 calls) interpolate : 0.60s CPU 0.64s WALL ( 4 calls) davcio : 0.02s CPU 0.82s WALL ( 656 calls) Parallel routines fft_scatter : 114.47s CPU 117.66s WALL ( 1396915 calls) PWSCF : 12m 3.76s CPU 13m19.01s WALL This run was terminated on: 16:16: 3 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=