Program PWSCF v.5.1.1 starts on 5Dec2015 at 10:13:15 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: ./Al6C3N2.save/ 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 84 44 13 1713 664 112 Max 85 45 14 1715 684 114 Sum 4037 2151 665 82255 32375 5429 bravais-lattice index = 14 lattice parameter (alat) = 25.4630 a.u. unit-cell volume = 822.6659 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 25.463035 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.970948 celldm(5)= 0.970948 celldm(6)= 0.970948 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.970948 0.239291 0.000000 ) a(3) = ( 0.970948 0.117882 0.208241 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -4.057594 -2.365675 ) b(2) = ( 0.000000 4.179004 -2.365675 ) b(3) = ( 0.000000 0.000000 4.802134 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0089286 -0.0362285 -0.0211221), wk = 0.0029499 k( 3) = ( 0.0178571 -0.0724570 -0.0422442), wk = 0.0029499 k( 4) = ( 0.0267857 -0.1086855 -0.0633663), wk = 0.0029499 k( 5) = ( 0.0357143 -0.1449141 -0.0844884), wk = 0.0029499 k( 6) = ( 0.0446429 -0.1811426 -0.1056105), wk = 0.0029499 k( 7) = ( 0.0535714 -0.2173711 -0.1267326), wk = 0.0029499 k( 8) = ( 0.0625000 -0.2535996 -0.1478547), wk = 0.0029499 k( 9) = ( 0.0714286 -0.2898282 -0.1689768), wk = 0.0029499 k( 10) = ( 0.0803571 -0.3260567 -0.1900988), wk = 0.0029499 k( 11) = ( 0.0892857 -0.3622852 -0.2112209), wk = 0.0029499 k( 12) = ( 0.0982143 -0.3985137 -0.2323430), wk = 0.0029499 k( 13) = ( 0.1071429 -0.4347423 -0.2534651), wk = 0.0029499 k( 14) = ( 0.1160714 -0.4709708 -0.2745872), wk = 0.0029499 k( 15) = ( 0.1250000 -0.5071993 -0.2957093), wk = 0.0029499 k( 16) = ( 0.1339286 -0.5434278 -0.3168314), wk = 0.0029499 k( 17) = ( 0.1428571 -0.5796563 -0.3379535), wk = 0.0029499 k( 18) = ( 0.1517857 -0.6158848 -0.3590756), wk = 0.0029499 k( 19) = ( 0.1607143 -0.6521134 -0.3801977), wk = 0.0029499 k( 20) = ( 0.1696429 -0.6883419 -0.4013198), wk = 0.0029499 k( 21) = ( 0.1785714 -0.7245704 -0.4224419), wk = 0.0029499 k( 22) = ( 0.1875000 -0.7607989 -0.4435640), wk = 0.0029499 k( 23) = ( 0.1964286 -0.7970275 -0.4646861), wk = 0.0029499 k( 24) = ( 0.2053571 -0.8332560 -0.4858082), wk = 0.0029499 k( 25) = ( 0.2142857 -0.8694845 -0.5069303), wk = 0.0029499 k( 26) = ( 0.2232143 -0.9057130 -0.5280524), wk = 0.0029499 k( 27) = ( 0.2321429 -0.9419416 -0.5491745), wk = 0.0029499 k( 28) = ( 0.2410714 -0.9781701 -0.5702966), wk = 0.0029499 k( 29) = ( 0.2500000 -1.0143986 -0.5914186), wk = 0.0029499 k( 30) = ( 0.2589286 -1.0506271 -0.6125407), wk = 0.0029499 k( 31) = ( 0.2678571 -1.0868556 -0.6336628), wk = 0.0029499 k( 32) = ( 0.2767857 -1.1230841 -0.6547849), wk = 0.0029499 k( 33) = ( 0.2857143 -1.1593127 -0.6759070), wk = 0.0029499 k( 34) = ( 0.2946429 -1.1955412 -0.6970291), wk = 0.0029499 k( 35) = ( 0.3035714 -1.2317697 -0.7181512), wk = 0.0029499 k( 36) = ( 0.3125000 -1.2679982 -0.7392733), wk = 0.0029499 k( 37) = ( 0.3214286 -1.3042268 -0.7603954), wk = 0.0029499 k( 38) = ( 0.3303571 -1.3404553 -0.7815175), wk = 0.0029499 k( 39) = ( 0.3392857 -1.3766838 -0.8026396), wk = 0.0029499 k( 40) = ( 0.3482143 -1.4129123 -0.8237617), wk = 0.0029499 k( 41) = ( 0.3571429 -1.4491409 -0.8448838), wk = 0.0029499 k( 42) = ( 0.3660714 -1.4853694 -0.8660059), wk = 0.0029499 k( 43) = ( 0.3750000 -1.5215979 -0.8871280), wk = 0.0029499 k( 44) = ( 0.3839286 -1.5578264 -0.9082501), wk = 0.0029499 k( 45) = ( 0.3928571 -1.5940549 -0.9293721), wk = 0.0029499 k( 46) = ( 0.4017857 -1.6302834 -0.9504942), wk = 0.0029499 k( 47) = ( 0.4107143 -1.6665120 -0.9716164), wk = 0.0029499 k( 48) = ( 0.4196429 -1.7027405 -0.9927384), wk = 0.0029499 k( 49) = ( 0.4285714 -1.7389690 -1.0138605), wk = 0.0029499 k( 50) = ( 0.4375000 -1.7751975 -1.0349826), wk = 0.0029499 k( 51) = ( 0.4464286 -1.8114260 -1.0561047), wk = 0.0029499 k( 52) = ( 0.4553571 -1.8476546 -1.0772268), wk = 0.0029499 k( 53) = ( 0.4642857 -1.8838831 -1.0983489), wk = 0.0029499 k( 54) = ( 0.4732143 -1.9201116 -1.1194710), wk = 0.0029499 k( 55) = ( 0.4821429 -1.9563401 -1.1405931), wk = 0.0029499 k( 56) = ( 0.4910714 -1.9925687 -1.1617152), wk = 0.0029499 k( 57) = ( 0.5000000 -2.0287972 -1.1828373), wk = 0.0029499 k( 58) = ( 0.5000000 -2.0287972 -1.1828373), wk = 0.0029499 k( 59) = ( 0.5000000 -2.0072742 -1.2197534), wk = 0.0029499 k( 60) = ( 0.5000000 -1.9857513 -1.2566694), wk = 0.0029499 k( 61) = ( 0.5000000 -1.9642284 -1.2935854), wk = 0.0029499 k( 62) = ( 0.5000000 -1.9427054 -1.3305015), wk = 0.0029499 k( 63) = ( 0.5000000 -1.9211825 -1.3674175), wk = 0.0029499 k( 64) = ( 0.5000000 -1.8996595 -1.4043336), wk = 0.0029499 k( 65) = ( 0.5000000 -1.8781366 -1.4412496), wk = 0.0029499 k( 66) = ( 0.5000000 -1.8566137 -1.4781657), wk = 0.0029499 k( 67) = ( 0.5000000 -1.8350907 -1.5150817), wk = 0.0029499 k( 68) = ( 0.5000000 -1.8135678 -1.5519978), wk = 0.0029499 k( 69) = ( 0.5000000 -1.7920448 -1.5889138), wk = 0.0029499 k( 70) = ( 0.5000000 -1.7705219 -1.6258298), wk = 0.0029499 k( 71) = ( 0.5000000 -1.7489990 -1.6627459), wk = 0.0029499 k( 72) = ( 0.5000000 -1.7274761 -1.6996619), wk = 0.0029499 k( 73) = ( 0.5000000 -1.7059531 -1.7365780), wk = 0.0029499 k( 74) = ( 0.5000000 -1.6844301 -1.7734941), wk = 0.0029499 k( 75) = ( 0.5000000 -1.6629072 -1.8104101), wk = 0.0029499 k( 76) = ( 0.5000000 -1.6413843 -1.8473262), wk = 0.0029499 k( 77) = ( 0.5000000 -1.6198614 -1.8842422), wk = 0.0029499 k( 78) = ( 0.5000000 -1.5983384 -1.9211582), wk = 0.0029499 k( 79) = ( 0.5000000 -1.5768154 -1.9580743), wk = 0.0029499 k( 80) = ( 0.5000000 -1.5552925 -1.9949903), wk = 0.0029499 k( 81) = ( 0.5000000 -1.5337696 -2.0319064), wk = 0.0029499 k( 82) = ( 0.5000000 -1.5122467 -2.0688224), wk = 0.0029499 k( 83) = ( 0.5000000 -1.4907237 -2.1057385), wk = 0.0029499 k( 84) = ( 0.5000000 -1.4692008 -2.1426546), wk = 0.0029499 k( 85) = ( 0.5000000 -1.4476778 -2.1795706), wk = 0.0029499 k( 86) = ( 0.5000000 -1.4261549 -2.2164866), wk = 0.0029499 k( 87) = ( 0.5000000 -1.4046320 -2.2534026), wk = 0.0029499 k( 88) = ( 0.5000000 -1.3831090 -2.2903187), wk = 0.0029499 k( 89) = ( 0.5000000 -1.3615861 -2.3272348), wk = 0.0029499 k( 90) = ( 0.5000000 -1.3400631 -2.3641508), wk = 0.0029499 k( 91) = ( 0.5000000 -1.3185402 -2.4010669), wk = 0.0029499 k( 92) = ( 0.8300416 -1.2784701 -2.3302823), wk = 0.0029499 k( 93) = ( 0.8248846 -1.2575454 -2.2933186), wk = 0.0029499 k( 94) = ( 0.8197277 -1.2366208 -2.2563549), wk = 0.0029499 k( 95) = ( 0.8145709 -1.2156963 -2.2193913), wk = 0.0029499 k( 96) = ( 0.8094140 -1.1947717 -2.1824277), wk = 0.0029499 k( 97) = ( 0.8042571 -1.1738471 -2.1454640), wk = 0.0029499 k( 98) = ( 0.7991002 -1.1529224 -2.1085003), wk = 0.0029499 k( 99) = ( 0.7939433 -1.1319978 -2.0715367), wk = 0.0029499 k( 100) = ( 0.7887864 -1.1110732 -2.0345730), wk = 0.0029499 k( 101) = ( 0.7836295 -1.0901486 -1.9976093), wk = 0.0029499 k( 102) = ( 0.7784726 -1.0692240 -1.9606456), wk = 0.0029499 k( 103) = ( 0.7733157 -1.0482994 -1.9236820), wk = 0.0029499 k( 104) = ( 0.7681588 -1.0273748 -1.8867183), wk = 0.0029499 k( 105) = ( 0.7630019 -1.0064502 -1.8497546), wk = 0.0029499 k( 106) = ( 0.7578450 -0.9855256 -1.8127910), wk = 0.0029499 k( 107) = ( 0.7526881 -0.9646010 -1.7758273), wk = 0.0029499 k( 108) = ( 0.7475312 -0.9436764 -1.7388636), wk = 0.0029499 k( 109) = ( 0.7423743 -0.9227518 -1.7019000), wk = 0.0029499 k( 110) = ( 0.7372174 -0.9018272 -1.6649364), wk = 0.0029499 k( 111) = ( 0.7320605 -0.8809026 -1.6279727), wk = 0.0029499 k( 112) = ( 0.7269036 -0.8599780 -1.5910090), wk = 0.0029499 k( 113) = ( 0.7217467 -0.8390534 -1.5540453), wk = 0.0029499 k( 114) = ( 0.7165898 -0.8181288 -1.5170817), wk = 0.0029499 k( 115) = ( 0.7114329 -0.7972041 -1.4801180), wk = 0.0029499 k( 116) = ( 0.7062760 -0.7762795 -1.4431543), wk = 0.0029499 k( 117) = ( 0.7011191 -0.7553549 -1.4061907), wk = 0.0029499 k( 118) = ( 0.6959622 -0.7344303 -1.3692270), wk = 0.0029499 k( 119) = ( 0.6908053 -0.7135057 -1.3322633), wk = 0.0029499 k( 120) = ( 0.6856484 -0.6925811 -1.2952996), wk = 0.0029499 k( 121) = ( 0.6804915 -0.6716565 -1.2583360), wk = 0.0029499 k( 122) = ( 0.6753346 -0.6507319 -1.2213723), wk = 0.0029499 k( 123) = ( 0.6701777 -0.6298073 -1.1844087), wk = 0.0029499 k( 124) = ( 0.6650208 -0.6088827 -1.1474450), wk = 0.0029499 k( 125) = ( 0.6598639 -0.5879581 -1.1104814), wk = 0.0029499 k( 126) = ( 0.6547070 -0.5670335 -1.0735177), wk = 0.0029499 k( 127) = ( 0.6495501 -0.5461089 -1.0365540), wk = 0.0029499 k( 128) = ( 0.6443932 -0.5251843 -0.9995904), wk = 0.0029499 k( 129) = ( 0.6392363 -0.5042597 -0.9626267), wk = 0.0029499 k( 130) = ( 0.6340794 -0.4833351 -0.9256630), wk = 0.0029499 k( 131) = ( 0.6289225 -0.4624105 -0.8886993), wk = 0.0029499 k( 132) = ( 0.6237656 -0.4414858 -0.8517357), wk = 0.0029499 k( 133) = ( 0.6186087 -0.4205612 -0.8147720), wk = 0.0029499 k( 134) = ( 0.6134518 -0.3996366 -0.7778083), wk = 0.0029499 k( 135) = ( 0.6082949 -0.3787120 -0.7408447), wk = 0.0029499 k( 136) = ( 0.6031380 -0.3577875 -0.7038811), wk = 0.0029499 k( 137) = ( 0.5979811 -0.3368628 -0.6669174), wk = 0.0029499 k( 138) = ( 0.5928242 -0.3159382 -0.6299537), wk = 0.0029499 k( 139) = ( 0.5876673 -0.2950136 -0.5929901), wk = 0.0029499 k( 140) = ( 0.5825104 -0.2740890 -0.5560264), wk = 0.0029499 k( 141) = ( 0.5773535 -0.2531644 -0.5190627), wk = 0.0029499 k( 142) = ( 0.5721966 -0.2322398 -0.4820990), wk = 0.0029499 k( 143) = ( 0.5670397 -0.2113152 -0.4451354), wk = 0.0029499 k( 144) = ( 0.5618828 -0.1903906 -0.4081717), wk = 0.0029499 k( 145) = ( 0.5567259 -0.1694660 -0.3712080), wk = 0.0029499 k( 146) = ( 0.5515690 -0.1485414 -0.3342444), wk = 0.0029499 k( 147) = ( 0.5464121 -0.1276168 -0.2972807), wk = 0.0029499 k( 148) = ( 0.5412552 -0.1066922 -0.2603170), wk = 0.0029499 k( 149) = ( 0.5360983 -0.0857675 -0.2233533), wk = 0.0029499 k( 150) = ( 0.5309414 -0.0648430 -0.1863897), wk = 0.0029499 k( 151) = ( 0.5257845 -0.0439184 -0.1494261), wk = 0.0029499 k( 152) = ( 0.5206276 -0.0229938 -0.1124624), wk = 0.0029499 k( 153) = ( 0.5154707 -0.0020692 -0.0754987), wk = 0.0029499 k( 154) = ( 0.5103138 0.0188555 -0.0385351), wk = 0.0029499 k( 155) = ( 0.5051569 0.0397801 -0.0015714), wk = 0.0029499 k( 156) = ( 0.5000000 0.0607047 0.0353923), wk = 0.0029499 k( 157) = ( 0.5000000 0.0607047 0.0353923), wk = 0.0029499 k( 158) = ( 0.4583333 0.0556460 0.0324429), wk = 0.0029499 k( 159) = ( 0.4166667 0.0505872 0.0294936), wk = 0.0029499 k( 160) = ( 0.3750000 0.0455285 0.0265442), wk = 0.0029499 k( 161) = ( 0.3333333 0.0404698 0.0235949), wk = 0.0029499 k( 162) = ( 0.2916667 0.0354111 0.0206455), wk = 0.0029499 k( 163) = ( 0.2500000 0.0303523 0.0176961), wk = 0.0029499 k( 164) = ( 0.2083333 0.0252936 0.0147468), wk = 0.0029499 k( 165) = ( 0.1666667 0.0202349 0.0117974), wk = 0.0029499 k( 166) = ( 0.1250000 0.0151762 0.0088481), wk = 0.0029499 k( 167) = ( 0.0833333 0.0101174 0.0058987), wk = 0.0029499 k( 168) = ( 0.0416667 0.0050587 0.0029494), wk = 0.0029499 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 171) = ( 0.0051535 -0.0209109 -0.0369395), wk = 0.0029499 k( 172) = ( 0.0103070 -0.0418218 -0.0738790), wk = 0.0029499 k( 173) = ( 0.0154606 -0.0627328 -0.1108185), wk = 0.0029499 k( 174) = ( 0.0206141 -0.0836437 -0.1477580), wk = 0.0029499 k( 175) = ( 0.0257676 -0.1045546 -0.1846974), wk = 0.0029499 k( 176) = ( 0.0309212 -0.1254655 -0.2216369), wk = 0.0029499 k( 177) = ( 0.0360747 -0.1463765 -0.2585765), wk = 0.0029499 k( 178) = ( 0.0412282 -0.1672874 -0.2955159), wk = 0.0029499 k( 179) = ( 0.0463817 -0.1881983 -0.3324554), wk = 0.0029499 k( 180) = ( 0.0515353 -0.2091092 -0.3693949), wk = 0.0029499 k( 181) = ( 0.0566888 -0.2300201 -0.4063344), wk = 0.0029499 k( 182) = ( 0.0618423 -0.2509310 -0.4432739), wk = 0.0029499 k( 183) = ( 0.0669958 -0.2718419 -0.4802133), wk = 0.0029499 k( 184) = ( 0.0721494 -0.2927529 -0.5171529), wk = 0.0029499 k( 185) = ( 0.0773029 -0.3136638 -0.5540924), wk = 0.0029499 k( 186) = ( 0.0824564 -0.3345747 -0.5910318), wk = 0.0029499 k( 187) = ( 0.0876100 -0.3554856 -0.6279713), wk = 0.0029499 k( 188) = ( 0.0927635 -0.3763966 -0.6649108), wk = 0.0029499 k( 189) = ( 0.0979170 -0.3973075 -0.7018503), wk = 0.0029499 k( 190) = ( 0.1030705 -0.4182184 -0.7387898), wk = 0.0029499 k( 191) = ( 0.1082241 -0.4391293 -0.7757293), wk = 0.0029499 k( 192) = ( 0.1133776 -0.4600402 -0.8126688), wk = 0.0029499 k( 193) = ( 0.1185311 -0.4809512 -0.8496083), wk = 0.0029499 k( 194) = ( 0.1236846 -0.5018621 -0.8865478), wk = 0.0029499 k( 195) = ( 0.1288382 -0.5227730 -0.9234872), wk = 0.0029499 k( 196) = ( 0.1339917 -0.5436839 -0.9604267), wk = 0.0029499 k( 197) = ( 0.1391452 -0.5645949 -0.9973663), wk = 0.0029499 k( 198) = ( 0.1442987 -0.5855058 -1.0343057), wk = 0.0029499 k( 199) = ( 0.1494523 -0.6064167 -1.0712452), wk = 0.0029499 k( 200) = ( 0.1546058 -0.6273276 -1.1081847), wk = 0.0029499 k( 201) = ( 0.1597593 -0.6482385 -1.1451242), wk = 0.0029499 k( 202) = ( 0.1649128 -0.6691495 -1.1820637), wk = 0.0029499 k( 203) = ( 0.1700664 -0.6900604 -1.2190032), wk = 0.0029499 k( 204) = ( 0.1752199 -0.7109713 -1.2559427), wk = 0.0029499 k( 205) = ( 0.1803734 -0.7318822 -1.2928822), wk = 0.0029499 k( 206) = ( 0.1855269 -0.7527931 -1.3298216), wk = 0.0029499 k( 207) = ( 0.1906805 -0.7737040 -1.3667611), wk = 0.0029499 k( 208) = ( 0.1958340 -0.7946150 -1.4037006), wk = 0.0029499 k( 209) = ( 0.2009875 -0.8155259 -1.4406401), wk = 0.0029499 k( 210) = ( 0.2061411 -0.8364368 -1.4775796), wk = 0.0029499 k( 211) = ( 0.2112946 -0.8573477 -1.5145191), wk = 0.0029499 k( 212) = ( 0.2164481 -0.8782586 -1.5514586), wk = 0.0029499 k( 213) = ( 0.2216016 -0.8991696 -1.5883981), wk = 0.0029499 k( 214) = ( 0.2267552 -0.9200805 -1.6253376), wk = 0.0029499 k( 215) = ( 0.2319087 -0.9409914 -1.6622770), wk = 0.0029499 k( 216) = ( 0.2370622 -0.9619023 -1.6992165), wk = 0.0029499 k( 217) = ( 0.2422158 -0.9828133 -1.7361561), wk = 0.0029499 k( 218) = ( 0.2473693 -1.0037242 -1.7730955), wk = 0.0029499 k( 219) = ( 0.2525228 -1.0246351 -1.8100350), wk = 0.0029499 k( 220) = ( 0.2576763 -1.0455460 -1.8469745), wk = 0.0029499 k( 221) = ( 0.2628298 -1.0664569 -1.8839140), wk = 0.0029499 k( 222) = ( 0.2679834 -1.0873679 -1.9208535), wk = 0.0029499 k( 223) = ( 0.2731369 -1.1082788 -1.9577930), wk = 0.0029499 k( 224) = ( 0.2782904 -1.1291897 -1.9947325), wk = 0.0029499 k( 225) = ( 0.2834440 -1.1501006 -2.0316720), wk = 0.0029499 k( 226) = ( 0.2885975 -1.1710115 -2.0686114), wk = 0.0029499 k( 227) = ( 0.2937510 -1.1919224 -2.1055509), wk = 0.0029499 k( 228) = ( 0.2989045 -1.2128334 -2.1424904), wk = 0.0029499 k( 229) = ( 0.3040581 -1.2337443 -2.1794299), wk = 0.0029499 k( 230) = ( 0.3092116 -1.2546552 -2.2163694), wk = 0.0029499 k( 231) = ( 0.3143651 -1.2755661 -2.2533089), wk = 0.0029499 k( 232) = ( 0.3195186 -1.2964770 -2.2902484), wk = 0.0029499 k( 233) = ( 0.3246722 -1.3173880 -2.3271879), wk = 0.0029499 k( 234) = ( 0.3298257 -1.3382989 -2.3641274), wk = 0.0029499 k( 235) = ( 0.3349792 -1.3592098 -2.4010668), wk = 0.0029499 k( 236) = ( 0.6650208 -1.2985052 -2.3656746), wk = 0.0029499 k( 237) = ( 0.6598639 -1.2560299 -2.3656746), wk = 0.0029499 k( 238) = ( 0.6547070 -1.2135545 -2.3656746), wk = 0.0029499 k( 239) = ( 0.6495501 -1.1710792 -2.3656746), wk = 0.0029499 k( 240) = ( 0.6443932 -1.1286039 -2.3656746), wk = 0.0029499 k( 241) = ( 0.6392363 -1.0861286 -2.3656746), wk = 0.0029499 k( 242) = ( 0.6340794 -1.0436533 -2.3656746), wk = 0.0029499 k( 243) = ( 0.6289225 -1.0011780 -2.3656746), wk = 0.0029499 k( 244) = ( 0.6237656 -0.9587027 -2.3656746), wk = 0.0029499 k( 245) = ( 0.6186087 -0.9162274 -2.3656746), wk = 0.0029499 k( 246) = ( 0.6134518 -0.8737520 -2.3656746), wk = 0.0029499 k( 247) = ( 0.6082949 -0.8312767 -2.3656746), wk = 0.0029499 k( 248) = ( 0.6031380 -0.7888015 -2.3656746), wk = 0.0029499 k( 249) = ( 0.5979811 -0.7463262 -2.3656746), wk = 0.0029499 k( 250) = ( 0.5928242 -0.7038509 -2.3656746), wk = 0.0029499 k( 251) = ( 0.5876673 -0.6613756 -2.3656746), wk = 0.0029499 k( 252) = ( 0.5825104 -0.6189002 -2.3656746), wk = 0.0029499 k( 253) = ( 0.5773535 -0.5764249 -2.3656746), wk = 0.0029499 k( 254) = ( 0.5721966 -0.5339496 -2.3656746), wk = 0.0029499 k( 255) = ( 0.5670397 -0.4914743 -2.3656746), wk = 0.0029499 k( 256) = ( 0.5618828 -0.4489990 -2.3656746), wk = 0.0029499 k( 257) = ( 0.5567259 -0.4065237 -2.3656746), wk = 0.0029499 k( 258) = ( 0.5515690 -0.3640484 -2.3656746), wk = 0.0029499 k( 259) = ( 0.5464121 -0.3215731 -2.3656746), wk = 0.0029499 k( 260) = ( 0.5412552 -0.2790977 -2.3656746), wk = 0.0029499 k( 261) = ( 0.5360983 -0.2366224 -2.3656746), wk = 0.0029499 k( 262) = ( 0.5309414 -0.1941472 -2.3656746), wk = 0.0029499 k( 263) = ( 0.5257845 -0.1516719 -2.3656746), wk = 0.0029499 k( 264) = ( 0.5206276 -0.1091966 -2.3656746), wk = 0.0029499 k( 265) = ( 0.5154707 -0.0667213 -2.3656746), wk = 0.0029499 k( 266) = ( 0.5103138 -0.0242460 -2.3656746), wk = 0.0029499 k( 267) = ( 0.5051569 0.0182294 -2.3656746), wk = 0.0029499 k( 268) = ( 0.5000000 0.0607047 -2.3656746), wk = 0.0029499 k( 269) = ( 0.5000000 0.0607047 -2.3656746), wk = 0.0029499 k( 270) = ( 0.5412552 0.0657134 -2.3568265), wk = 0.0029499 k( 271) = ( 0.5825104 0.0707222 -2.3479785), wk = 0.0029499 k( 272) = ( 0.6237656 0.0757310 -2.3391303), wk = 0.0029499 k( 273) = ( 0.6650208 0.0807397 -2.3302823), wk = 0.0029499 k( 274) = ( 0.6650208 0.0807397 -2.3302823), wk = 0.0029499 k( 275) = ( 0.6620740 0.0803820 -2.2880381), wk = 0.0029499 k( 276) = ( 0.6591272 0.0800242 -2.2457939), wk = 0.0029499 k( 277) = ( 0.6561804 0.0796664 -2.2035498), wk = 0.0029499 k( 278) = ( 0.6532336 0.0793087 -2.1613056), wk = 0.0029499 k( 279) = ( 0.6502868 0.0789509 -2.1190614), wk = 0.0029499 k( 280) = ( 0.6473400 0.0785931 -2.0768172), wk = 0.0029499 k( 281) = ( 0.6443932 0.0782354 -2.0345730), wk = 0.0029499 k( 282) = ( 0.6414464 0.0778776 -1.9923288), wk = 0.0029499 k( 283) = ( 0.6384996 0.0775198 -1.9500846), wk = 0.0029499 k( 284) = ( 0.6355528 0.0771620 -1.9078404), wk = 0.0029499 k( 285) = ( 0.6326060 0.0768043 -1.8655962), wk = 0.0029499 k( 286) = ( 0.6296592 0.0764465 -1.8233520), wk = 0.0029499 k( 287) = ( 0.6267124 0.0760887 -1.7811078), wk = 0.0029499 k( 288) = ( 0.6237656 0.0757310 -1.7388636), wk = 0.0029499 k( 289) = ( 0.6208188 0.0753732 -1.6966195), wk = 0.0029499 k( 290) = ( 0.6178720 0.0750154 -1.6543753), wk = 0.0029499 k( 291) = ( 0.6149252 0.0746577 -1.6121311), wk = 0.0029499 k( 292) = ( 0.6119784 0.0742999 -1.5698869), wk = 0.0029499 k( 293) = ( 0.6090316 0.0739421 -1.5276427), wk = 0.0029499 k( 294) = ( 0.6060848 0.0735844 -1.4853985), wk = 0.0029499 k( 295) = ( 0.6031380 0.0732266 -1.4431544), wk = 0.0029499 k( 296) = ( 0.6001912 0.0728688 -1.4009102), wk = 0.0029499 k( 297) = ( 0.5972444 0.0725111 -1.3586660), wk = 0.0029499 k( 298) = ( 0.5942976 0.0721533 -1.3164218), wk = 0.0029499 k( 299) = ( 0.5913508 0.0717955 -1.2741776), wk = 0.0029499 k( 300) = ( 0.5884040 0.0714377 -1.2319334), wk = 0.0029499 k( 301) = ( 0.5854572 0.0710800 -1.1896892), wk = 0.0029499 k( 302) = ( 0.5825104 0.0707222 -1.1474450), wk = 0.0029499 k( 303) = ( 0.5795636 0.0703644 -1.1052008), wk = 0.0029499 k( 304) = ( 0.5766168 0.0700067 -1.0629566), wk = 0.0029499 k( 305) = ( 0.5736700 0.0696489 -1.0207125), wk = 0.0029499 k( 306) = ( 0.5707232 0.0692911 -0.9784683), wk = 0.0029499 k( 307) = ( 0.5677764 0.0689334 -0.9362241), wk = 0.0029499 k( 308) = ( 0.5648296 0.0685756 -0.8939799), wk = 0.0029499 k( 309) = ( 0.5618828 0.0682178 -0.8517357), wk = 0.0029499 k( 310) = ( 0.5589360 0.0678601 -0.8094915), wk = 0.0029499 k( 311) = ( 0.5559892 0.0675023 -0.7672473), wk = 0.0029499 k( 312) = ( 0.5530424 0.0671445 -0.7250031), wk = 0.0029499 k( 313) = ( 0.5500956 0.0667867 -0.6827589), wk = 0.0029499 k( 314) = ( 0.5471488 0.0664290 -0.6405147), wk = 0.0029499 k( 315) = ( 0.5442020 0.0660712 -0.5982706), wk = 0.0029499 k( 316) = ( 0.5412552 0.0657134 -0.5560264), wk = 0.0029499 k( 317) = ( 0.5383084 0.0653557 -0.5137822), wk = 0.0029499 k( 318) = ( 0.5353616 0.0649979 -0.4715380), wk = 0.0029499 k( 319) = ( 0.5324148 0.0646401 -0.4292938), wk = 0.0029499 k( 320) = ( 0.5294680 0.0642824 -0.3870496), wk = 0.0029499 k( 321) = ( 0.5265212 0.0639246 -0.3448054), wk = 0.0029499 k( 322) = ( 0.5235744 0.0635668 -0.3025612), wk = 0.0029499 k( 323) = ( 0.5206276 0.0632091 -0.2603170), wk = 0.0029499 k( 324) = ( 0.5176808 0.0628513 -0.2180728), wk = 0.0029499 k( 325) = ( 0.5147340 0.0624935 -0.1758287), wk = 0.0029499 k( 326) = ( 0.5117872 0.0621358 -0.1335845), wk = 0.0029499 k( 327) = ( 0.5088404 0.0617780 -0.0913403), wk = 0.0029499 k( 328) = ( 0.5058936 0.0614202 -0.0490961), wk = 0.0029499 k( 329) = ( 0.5029468 0.0610624 -0.0068519), wk = 0.0029499 k( 330) = ( 0.5000000 0.0607047 0.0353923), wk = 0.0029499 k( 331) = ( 0.5000000 -2.0287972 -1.1828373), wk = 0.0029499 k( 332) = ( 0.5412552 -2.0212091 -1.1784133), wk = 0.0029499 k( 333) = ( 0.5825104 -2.0136210 -1.1739892), wk = 0.0029499 k( 334) = ( 0.6237656 -2.0060329 -1.1695652), wk = 0.0029499 k( 335) = ( 0.6650208 -1.9984449 -1.1651412), wk = 0.0029499 k( 336) = ( 0.7062760 -1.9908568 -1.1607171), wk = 0.0029499 k( 337) = ( 0.7475312 -1.9832686 -1.1562931), wk = 0.0029499 k( 338) = ( 0.7887864 -1.9756806 -1.1518691), wk = 0.0029499 k( 339) = ( 0.8300416 -1.9680925 -1.1474450), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0029499 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0029499 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0029499 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0029499 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0029499 k( 7) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0029499 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0029499 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0029499 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0029499 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0029499 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0029499 k( 13) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0029499 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0029499 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0029499 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0029499 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0029499 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0029499 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0029499 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0029499 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0029499 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0029499 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0029499 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0029499 k( 25) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0029499 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0029499 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0029499 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0029499 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0029499 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0029499 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0029499 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0029499 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0029499 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0029499 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0029499 k( 36) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0029499 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0029499 k( 38) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0029499 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0029499 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0029499 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0029499 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0029499 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0029499 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0029499 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0029499 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0029499 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0029499 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0029499 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0029499 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0029499 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0029499 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0029499 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0029499 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0029499 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0029499 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0029499 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029499 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029499 k( 59) = ( 0.5000000 0.0051503 -0.0051503), wk = 0.0029499 k( 60) = ( 0.5000000 0.0103005 -0.0103005), wk = 0.0029499 k( 61) = ( 0.5000000 0.0154508 -0.0154508), wk = 0.0029499 k( 62) = ( 0.5000000 0.0206010 -0.0206010), wk = 0.0029499 k( 63) = ( 0.5000000 0.0257513 -0.0257513), wk = 0.0029499 k( 64) = ( 0.5000000 0.0309015 -0.0309015), wk = 0.0029499 k( 65) = ( 0.5000000 0.0360518 -0.0360518), wk = 0.0029499 k( 66) = ( 0.5000000 0.0412021 -0.0412020), wk = 0.0029499 k( 67) = ( 0.5000000 0.0463523 -0.0463523), wk = 0.0029499 k( 68) = ( 0.5000000 0.0515026 -0.0515026), wk = 0.0029499 k( 69) = ( 0.5000000 0.0566528 -0.0566528), wk = 0.0029499 k( 70) = ( 0.5000000 0.0618031 -0.0618031), wk = 0.0029499 k( 71) = ( 0.5000000 0.0669533 -0.0669533), wk = 0.0029499 k( 72) = ( 0.5000000 0.0721036 -0.0721036), wk = 0.0029499 k( 73) = ( 0.5000000 0.0772538 -0.0772538), wk = 0.0029499 k( 74) = ( 0.5000000 0.0824041 -0.0824041), wk = 0.0029499 k( 75) = ( 0.5000000 0.0875544 -0.0875543), wk = 0.0029499 k( 76) = ( 0.5000000 0.0927046 -0.0927046), wk = 0.0029499 k( 77) = ( 0.5000000 0.0978549 -0.0978549), wk = 0.0029499 k( 78) = ( 0.5000000 0.1030051 -0.1030051), wk = 0.0029499 k( 79) = ( 0.5000000 0.1081554 -0.1081554), wk = 0.0029499 k( 80) = ( 0.5000000 0.1133056 -0.1133056), wk = 0.0029499 k( 81) = ( 0.5000000 0.1184559 -0.1184559), wk = 0.0029499 k( 82) = ( 0.5000000 0.1236061 -0.1236061), wk = 0.0029499 k( 83) = ( 0.5000000 0.1287564 -0.1287564), wk = 0.0029499 k( 84) = ( 0.5000000 0.1339067 -0.1339067), wk = 0.0029499 k( 85) = ( 0.5000000 0.1390569 -0.1390569), wk = 0.0029499 k( 86) = ( 0.5000000 0.1442072 -0.1442072), wk = 0.0029499 k( 87) = ( 0.5000000 0.1493574 -0.1493574), wk = 0.0029499 k( 88) = ( 0.5000000 0.1545077 -0.1545077), wk = 0.0029499 k( 89) = ( 0.5000000 0.1596579 -0.1596579), wk = 0.0029499 k( 90) = ( 0.5000000 0.1648082 -0.1648082), wk = 0.0029499 k( 91) = ( 0.5000000 0.1699585 -0.1699585), wk = 0.0029499 k( 92) = ( 0.8300416 0.5000000 0.1699585), wk = 0.0029499 k( 93) = ( 0.8248846 0.5000000 0.1751154), wk = 0.0029499 k( 94) = ( 0.8197277 0.5000000 0.1802723), wk = 0.0029499 k( 95) = ( 0.8145709 0.5000000 0.1854291), wk = 0.0029499 k( 96) = ( 0.8094140 0.5000000 0.1905860), wk = 0.0029499 k( 97) = ( 0.8042571 0.5000000 0.1957429), wk = 0.0029499 k( 98) = ( 0.7991002 0.5000000 0.2008998), wk = 0.0029499 k( 99) = ( 0.7939433 0.5000000 0.2060567), wk = 0.0029499 k( 100) = ( 0.7887864 0.5000000 0.2112136), wk = 0.0029499 k( 101) = ( 0.7836295 0.5000000 0.2163705), wk = 0.0029499 k( 102) = ( 0.7784726 0.5000000 0.2215274), wk = 0.0029499 k( 103) = ( 0.7733157 0.5000000 0.2266843), wk = 0.0029499 k( 104) = ( 0.7681588 0.5000000 0.2318412), wk = 0.0029499 k( 105) = ( 0.7630019 0.5000000 0.2369981), wk = 0.0029499 k( 106) = ( 0.7578450 0.5000000 0.2421550), wk = 0.0029499 k( 107) = ( 0.7526881 0.5000000 0.2473119), wk = 0.0029499 k( 108) = ( 0.7475312 0.5000000 0.2524688), wk = 0.0029499 k( 109) = ( 0.7423743 0.5000000 0.2576257), wk = 0.0029499 k( 110) = ( 0.7372174 0.5000000 0.2627826), wk = 0.0029499 k( 111) = ( 0.7320605 0.5000000 0.2679395), wk = 0.0029499 k( 112) = ( 0.7269036 0.5000000 0.2730964), wk = 0.0029499 k( 113) = ( 0.7217467 0.5000000 0.2782533), wk = 0.0029499 k( 114) = ( 0.7165898 0.5000000 0.2834102), wk = 0.0029499 k( 115) = ( 0.7114329 0.5000000 0.2885671), wk = 0.0029499 k( 116) = ( 0.7062760 0.5000000 0.2937240), wk = 0.0029499 k( 117) = ( 0.7011191 0.5000000 0.2988809), wk = 0.0029499 k( 118) = ( 0.6959622 0.5000000 0.3040378), wk = 0.0029499 k( 119) = ( 0.6908053 0.5000000 0.3091947), wk = 0.0029499 k( 120) = ( 0.6856484 0.5000000 0.3143516), wk = 0.0029499 k( 121) = ( 0.6804915 0.5000000 0.3195085), wk = 0.0029499 k( 122) = ( 0.6753346 0.5000000 0.3246654), wk = 0.0029499 k( 123) = ( 0.6701777 0.5000000 0.3298223), wk = 0.0029499 k( 124) = ( 0.6650208 0.5000000 0.3349792), wk = 0.0029499 k( 125) = ( 0.6598639 0.5000000 0.3401361), wk = 0.0029499 k( 126) = ( 0.6547070 0.5000000 0.3452930), wk = 0.0029499 k( 127) = ( 0.6495501 0.5000000 0.3504499), wk = 0.0029499 k( 128) = ( 0.6443932 0.5000000 0.3556068), wk = 0.0029499 k( 129) = ( 0.6392363 0.5000000 0.3607637), wk = 0.0029499 k( 130) = ( 0.6340794 0.5000000 0.3659206), wk = 0.0029499 k( 131) = ( 0.6289225 0.5000000 0.3710775), wk = 0.0029499 k( 132) = ( 0.6237656 0.5000000 0.3762344), wk = 0.0029499 k( 133) = ( 0.6186087 0.5000000 0.3813913), wk = 0.0029499 k( 134) = ( 0.6134518 0.5000000 0.3865482), wk = 0.0029499 k( 135) = ( 0.6082949 0.5000000 0.3917051), wk = 0.0029499 k( 136) = ( 0.6031380 0.5000000 0.3968620), wk = 0.0029499 k( 137) = ( 0.5979811 0.5000000 0.4020189), wk = 0.0029499 k( 138) = ( 0.5928242 0.5000000 0.4071758), wk = 0.0029499 k( 139) = ( 0.5876673 0.5000000 0.4123327), wk = 0.0029499 k( 140) = ( 0.5825104 0.5000000 0.4174896), wk = 0.0029499 k( 141) = ( 0.5773535 0.5000000 0.4226465), wk = 0.0029499 k( 142) = ( 0.5721966 0.5000000 0.4278034), wk = 0.0029499 k( 143) = ( 0.5670397 0.5000000 0.4329603), wk = 0.0029499 k( 144) = ( 0.5618828 0.5000000 0.4381172), wk = 0.0029499 k( 145) = ( 0.5567259 0.5000000 0.4432741), wk = 0.0029499 k( 146) = ( 0.5515690 0.5000000 0.4484310), wk = 0.0029499 k( 147) = ( 0.5464121 0.5000000 0.4535879), wk = 0.0029499 k( 148) = ( 0.5412552 0.5000000 0.4587448), wk = 0.0029499 k( 149) = ( 0.5360983 0.5000000 0.4639017), wk = 0.0029499 k( 150) = ( 0.5309414 0.5000000 0.4690586), wk = 0.0029499 k( 151) = ( 0.5257845 0.5000000 0.4742155), wk = 0.0029499 k( 152) = ( 0.5206276 0.5000000 0.4793724), wk = 0.0029499 k( 153) = ( 0.5154707 0.5000000 0.4845293), wk = 0.0029499 k( 154) = ( 0.5103138 0.5000000 0.4896862), wk = 0.0029499 k( 155) = ( 0.5051569 0.5000000 0.4948431), wk = 0.0029499 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 158) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0029499 k( 159) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0029499 k( 160) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 161) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029499 k( 162) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0029499 k( 163) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 164) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0029499 k( 165) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029499 k( 166) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029499 k( 167) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0029499 k( 168) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0029499 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 171) = ( 0.0051535 0.0000000 -0.0051535), wk = 0.0029499 k( 172) = ( 0.0103070 0.0000000 -0.0103070), wk = 0.0029499 k( 173) = ( 0.0154606 0.0000000 -0.0154606), wk = 0.0029499 k( 174) = ( 0.0206141 0.0000000 -0.0206141), wk = 0.0029499 k( 175) = ( 0.0257676 0.0000000 -0.0257676), wk = 0.0029499 k( 176) = ( 0.0309212 0.0000000 -0.0309212), wk = 0.0029499 k( 177) = ( 0.0360747 0.0000000 -0.0360747), wk = 0.0029499 k( 178) = ( 0.0412282 0.0000000 -0.0412282), wk = 0.0029499 k( 179) = ( 0.0463817 0.0000000 -0.0463817), wk = 0.0029499 k( 180) = ( 0.0515353 0.0000000 -0.0515353), wk = 0.0029499 k( 181) = ( 0.0566888 0.0000000 -0.0566888), wk = 0.0029499 k( 182) = ( 0.0618423 0.0000000 -0.0618423), wk = 0.0029499 k( 183) = ( 0.0669958 0.0000000 -0.0669958), wk = 0.0029499 k( 184) = ( 0.0721494 0.0000000 -0.0721494), wk = 0.0029499 k( 185) = ( 0.0773029 0.0000000 -0.0773029), wk = 0.0029499 k( 186) = ( 0.0824564 0.0000000 -0.0824564), wk = 0.0029499 k( 187) = ( 0.0876100 0.0000000 -0.0876099), wk = 0.0029499 k( 188) = ( 0.0927635 0.0000000 -0.0927635), wk = 0.0029499 k( 189) = ( 0.0979170 0.0000000 -0.0979170), wk = 0.0029499 k( 190) = ( 0.1030705 0.0000000 -0.1030705), wk = 0.0029499 k( 191) = ( 0.1082241 0.0000000 -0.1082241), wk = 0.0029499 k( 192) = ( 0.1133776 0.0000000 -0.1133776), wk = 0.0029499 k( 193) = ( 0.1185311 0.0000000 -0.1185311), wk = 0.0029499 k( 194) = ( 0.1236846 0.0000000 -0.1236846), wk = 0.0029499 k( 195) = ( 0.1288382 0.0000000 -0.1288382), wk = 0.0029499 k( 196) = ( 0.1339917 0.0000000 -0.1339917), wk = 0.0029499 k( 197) = ( 0.1391452 0.0000000 -0.1391452), wk = 0.0029499 k( 198) = ( 0.1442987 0.0000000 -0.1442987), wk = 0.0029499 k( 199) = ( 0.1494523 0.0000000 -0.1494523), wk = 0.0029499 k( 200) = ( 0.1546058 0.0000000 -0.1546058), wk = 0.0029499 k( 201) = ( 0.1597593 0.0000000 -0.1597593), wk = 0.0029499 k( 202) = ( 0.1649128 0.0000000 -0.1649128), wk = 0.0029499 k( 203) = ( 0.1700664 0.0000000 -0.1700664), wk = 0.0029499 k( 204) = ( 0.1752199 0.0000000 -0.1752199), wk = 0.0029499 k( 205) = ( 0.1803734 0.0000000 -0.1803734), wk = 0.0029499 k( 206) = ( 0.1855269 0.0000000 -0.1855269), wk = 0.0029499 k( 207) = ( 0.1906805 0.0000000 -0.1906805), wk = 0.0029499 k( 208) = ( 0.1958340 0.0000000 -0.1958340), wk = 0.0029499 k( 209) = ( 0.2009875 0.0000000 -0.2009875), wk = 0.0029499 k( 210) = ( 0.2061411 0.0000000 -0.2061411), wk = 0.0029499 k( 211) = ( 0.2112946 0.0000000 -0.2112946), wk = 0.0029499 k( 212) = ( 0.2164481 0.0000000 -0.2164481), wk = 0.0029499 k( 213) = ( 0.2216016 0.0000000 -0.2216016), wk = 0.0029499 k( 214) = ( 0.2267552 0.0000000 -0.2267552), wk = 0.0029499 k( 215) = ( 0.2319087 0.0000000 -0.2319087), wk = 0.0029499 k( 216) = ( 0.2370622 0.0000000 -0.2370622), wk = 0.0029499 k( 217) = ( 0.2422158 0.0000000 -0.2422157), wk = 0.0029499 k( 218) = ( 0.2473693 0.0000000 -0.2473693), wk = 0.0029499 k( 219) = ( 0.2525228 0.0000000 -0.2525228), wk = 0.0029499 k( 220) = ( 0.2576763 0.0000000 -0.2576763), wk = 0.0029499 k( 221) = ( 0.2628298 0.0000000 -0.2628298), wk = 0.0029499 k( 222) = ( 0.2679834 0.0000000 -0.2679834), wk = 0.0029499 k( 223) = ( 0.2731369 0.0000000 -0.2731369), wk = 0.0029499 k( 224) = ( 0.2782904 0.0000000 -0.2782904), wk = 0.0029499 k( 225) = ( 0.2834440 0.0000000 -0.2834440), wk = 0.0029499 k( 226) = ( 0.2885975 0.0000000 -0.2885975), wk = 0.0029499 k( 227) = ( 0.2937510 0.0000000 -0.2937510), wk = 0.0029499 k( 228) = ( 0.2989045 0.0000000 -0.2989045), wk = 0.0029499 k( 229) = ( 0.3040581 0.0000000 -0.3040581), wk = 0.0029499 k( 230) = ( 0.3092116 0.0000000 -0.3092116), wk = 0.0029499 k( 231) = ( 0.3143651 0.0000000 -0.3143651), wk = 0.0029499 k( 232) = ( 0.3195186 0.0000000 -0.3195186), wk = 0.0029499 k( 233) = ( 0.3246722 0.0000000 -0.3246722), wk = 0.0029499 k( 234) = ( 0.3298257 0.0000000 -0.3298257), wk = 0.0029499 k( 235) = ( 0.3349792 0.0000000 -0.3349792), wk = 0.0029499 k( 236) = ( 0.6650208 0.3349792 0.0000000), wk = 0.0029499 k( 237) = ( 0.6598639 0.3401361 0.0000000), wk = 0.0029499 k( 238) = ( 0.6547070 0.3452930 0.0000000), wk = 0.0029499 k( 239) = ( 0.6495501 0.3504499 0.0000000), wk = 0.0029499 k( 240) = ( 0.6443932 0.3556068 0.0000000), wk = 0.0029499 k( 241) = ( 0.6392363 0.3607637 0.0000000), wk = 0.0029499 k( 242) = ( 0.6340794 0.3659206 0.0000000), wk = 0.0029499 k( 243) = ( 0.6289225 0.3710775 0.0000000), wk = 0.0029499 k( 244) = ( 0.6237656 0.3762344 0.0000000), wk = 0.0029499 k( 245) = ( 0.6186087 0.3813913 0.0000000), wk = 0.0029499 k( 246) = ( 0.6134518 0.3865482 -0.0000000), wk = 0.0029499 k( 247) = ( 0.6082949 0.3917051 0.0000000), wk = 0.0029499 k( 248) = ( 0.6031380 0.3968620 0.0000000), wk = 0.0029499 k( 249) = ( 0.5979811 0.4020189 0.0000000), wk = 0.0029499 k( 250) = ( 0.5928242 0.4071758 0.0000000), wk = 0.0029499 k( 251) = ( 0.5876673 0.4123327 0.0000000), wk = 0.0029499 k( 252) = ( 0.5825104 0.4174896 0.0000000), wk = 0.0029499 k( 253) = ( 0.5773535 0.4226465 0.0000000), wk = 0.0029499 k( 254) = ( 0.5721966 0.4278034 0.0000000), wk = 0.0029499 k( 255) = ( 0.5670397 0.4329603 -0.0000000), wk = 0.0029499 k( 256) = ( 0.5618828 0.4381172 -0.0000000), wk = 0.0029499 k( 257) = ( 0.5567259 0.4432741 -0.0000000), wk = 0.0029499 k( 258) = ( 0.5515690 0.4484310 0.0000000), wk = 0.0029499 k( 259) = ( 0.5464121 0.4535879 0.0000000), wk = 0.0029499 k( 260) = ( 0.5412552 0.4587448 0.0000000), wk = 0.0029499 k( 261) = ( 0.5360983 0.4639017 0.0000000), wk = 0.0029499 k( 262) = ( 0.5309414 0.4690586 0.0000000), wk = 0.0029499 k( 263) = ( 0.5257845 0.4742155 0.0000000), wk = 0.0029499 k( 264) = ( 0.5206276 0.4793724 -0.0000000), wk = 0.0029499 k( 265) = ( 0.5154707 0.4845293 0.0000000), wk = 0.0029499 k( 266) = ( 0.5103138 0.4896862 0.0000000), wk = 0.0029499 k( 267) = ( 0.5051569 0.4948431 0.0000000), wk = 0.0029499 k( 268) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 269) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 270) = ( 0.5412552 0.5412552 0.0424896), wk = 0.0029499 k( 271) = ( 0.5825104 0.5825104 0.0849792), wk = 0.0029499 k( 272) = ( 0.6237656 0.6237656 0.1274688), wk = 0.0029499 k( 273) = ( 0.6650208 0.6650208 0.1699585), wk = 0.0029499 k( 274) = ( 0.6650208 0.6650208 0.1699585), wk = 0.0029499 k( 275) = ( 0.6620740 0.6620740 0.1758521), wk = 0.0029499 k( 276) = ( 0.6591272 0.6591272 0.1817456), wk = 0.0029499 k( 277) = ( 0.6561804 0.6561804 0.1876392), wk = 0.0029499 k( 278) = ( 0.6532336 0.6532336 0.1935328), wk = 0.0029499 k( 279) = ( 0.6502868 0.6502868 0.1994264), wk = 0.0029499 k( 280) = ( 0.6473400 0.6473400 0.2053200), wk = 0.0029499 k( 281) = ( 0.6443932 0.6443932 0.2112136), wk = 0.0029499 k( 282) = ( 0.6414464 0.6414464 0.2171072), wk = 0.0029499 k( 283) = ( 0.6384996 0.6384996 0.2230008), wk = 0.0029499 k( 284) = ( 0.6355528 0.6355528 0.2288944), wk = 0.0029499 k( 285) = ( 0.6326060 0.6326060 0.2347880), wk = 0.0029499 k( 286) = ( 0.6296592 0.6296592 0.2406816), wk = 0.0029499 k( 287) = ( 0.6267124 0.6267124 0.2465752), wk = 0.0029499 k( 288) = ( 0.6237656 0.6237656 0.2524688), wk = 0.0029499 k( 289) = ( 0.6208188 0.6208188 0.2583624), wk = 0.0029499 k( 290) = ( 0.6178720 0.6178720 0.2642560), wk = 0.0029499 k( 291) = ( 0.6149252 0.6149252 0.2701496), wk = 0.0029499 k( 292) = ( 0.6119784 0.6119784 0.2760432), wk = 0.0029499 k( 293) = ( 0.6090316 0.6090316 0.2819368), wk = 0.0029499 k( 294) = ( 0.6060848 0.6060848 0.2878304), wk = 0.0029499 k( 295) = ( 0.6031380 0.6031380 0.2937240), wk = 0.0029499 k( 296) = ( 0.6001912 0.6001912 0.2996176), wk = 0.0029499 k( 297) = ( 0.5972444 0.5972444 0.3055112), wk = 0.0029499 k( 298) = ( 0.5942976 0.5942976 0.3114048), wk = 0.0029499 k( 299) = ( 0.5913508 0.5913508 0.3172984), wk = 0.0029499 k( 300) = ( 0.5884040 0.5884040 0.3231920), wk = 0.0029499 k( 301) = ( 0.5854572 0.5854572 0.3290856), wk = 0.0029499 k( 302) = ( 0.5825104 0.5825104 0.3349792), wk = 0.0029499 k( 303) = ( 0.5795636 0.5795636 0.3408728), wk = 0.0029499 k( 304) = ( 0.5766168 0.5766168 0.3467664), wk = 0.0029499 k( 305) = ( 0.5736700 0.5736700 0.3526600), wk = 0.0029499 k( 306) = ( 0.5707232 0.5707232 0.3585536), wk = 0.0029499 k( 307) = ( 0.5677764 0.5677764 0.3644472), wk = 0.0029499 k( 308) = ( 0.5648296 0.5648296 0.3703408), wk = 0.0029499 k( 309) = ( 0.5618828 0.5618828 0.3762344), wk = 0.0029499 k( 310) = ( 0.5589360 0.5589360 0.3821280), wk = 0.0029499 k( 311) = ( 0.5559892 0.5559892 0.3880216), wk = 0.0029499 k( 312) = ( 0.5530424 0.5530424 0.3939152), wk = 0.0029499 k( 313) = ( 0.5500956 0.5500956 0.3998088), wk = 0.0029499 k( 314) = ( 0.5471488 0.5471488 0.4057024), wk = 0.0029499 k( 315) = ( 0.5442020 0.5442020 0.4115960), wk = 0.0029499 k( 316) = ( 0.5412552 0.5412552 0.4174896), wk = 0.0029499 k( 317) = ( 0.5383084 0.5383084 0.4233832), wk = 0.0029499 k( 318) = ( 0.5353616 0.5353616 0.4292768), wk = 0.0029499 k( 319) = ( 0.5324148 0.5324148 0.4351704), wk = 0.0029499 k( 320) = ( 0.5294680 0.5294680 0.4410640), wk = 0.0029499 k( 321) = ( 0.5265212 0.5265212 0.4469576), wk = 0.0029499 k( 322) = ( 0.5235744 0.5235744 0.4528512), wk = 0.0029499 k( 323) = ( 0.5206276 0.5206276 0.4587448), wk = 0.0029499 k( 324) = ( 0.5176808 0.5176808 0.4646384), wk = 0.0029499 k( 325) = ( 0.5147340 0.5147340 0.4705320), wk = 0.0029499 k( 326) = ( 0.5117872 0.5117872 0.4764256), wk = 0.0029499 k( 327) = ( 0.5088404 0.5088404 0.4823192), wk = 0.0029499 k( 328) = ( 0.5058936 0.5058936 0.4882128), wk = 0.0029499 k( 329) = ( 0.5029468 0.5029468 0.4941064), wk = 0.0029499 k( 330) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 331) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029499 k( 332) = ( 0.5412552 0.0418724 0.0418724), wk = 0.0029499 k( 333) = ( 0.5825104 0.0837448 0.0837448), wk = 0.0029499 k( 334) = ( 0.6237656 0.1256172 0.1256172), wk = 0.0029499 k( 335) = ( 0.6650208 0.1674896 0.1674896), wk = 0.0029499 k( 336) = ( 0.7062760 0.2093620 0.2093620), wk = 0.0029499 k( 337) = ( 0.7475312 0.2512344 0.2512344), wk = 0.0029499 k( 338) = ( 0.7887864 0.2931068 0.2931068), wk = 0.0029499 k( 339) = ( 0.8300416 0.3349792 0.3349792), wk = 0.0029499 Dense grid: 82255 G-vectors FFT dimensions: ( 150, 150, 150) Smooth grid: 32375 G-vectors FFT dimensions: ( 108, 108, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 180, 48) NL pseudopotentials 0.38 Mb ( 90, 274) Each V/rho on FFT grid 1.37 Mb ( 90000) Each G-vector array 0.01 Mb ( 1714) G-vector shells 0.01 Mb ( 1518) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 180, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.40 Mb ( 274, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Al6C3N2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.7 secs Computing kpt #: 2 total cpu time spent up to now is 61.7 secs Computing kpt #: 3 total cpu time spent up to now is 70.8 secs Computing kpt #: 4 total cpu time spent up to now is 79.6 secs Computing kpt #: 5 total cpu time spent up to now is 88.5 secs Computing kpt #: 6 total cpu time spent up to now is 97.5 secs Computing kpt #: 7 total cpu time spent up to now is 106.4 secs Computing kpt #: 8 total cpu time spent up to now is 115.3 secs Computing kpt #: 9 total cpu time spent up to now is 124.2 secs Computing kpt #: 10 total cpu time spent up to now is 133.1 secs Computing kpt #: 11 total cpu time spent up to now is 142.0 secs Computing kpt #: 12 total cpu time spent up to now is 150.9 secs Computing kpt #: 13 total cpu time spent up to now is 159.7 secs Computing kpt #: 14 total cpu time spent up to now is 168.6 secs Computing kpt #: 15 total cpu time spent up to now is 177.5 secs Computing kpt #: 16 total cpu time spent up to now is 186.7 secs Computing kpt #: 17 total cpu time spent up to now is 195.8 secs Computing kpt #: 18 total cpu time spent up to now is 204.9 secs Computing kpt #: 19 total cpu time spent up to now is 214.1 secs Computing kpt #: 20 total cpu time spent up to now is 223.5 secs Computing kpt #: 21 total cpu time spent up to now is 232.9 secs Computing kpt #: 22 total cpu time spent up to now is 242.2 secs Computing kpt #: 23 total cpu time spent up to now is 251.5 secs Computing kpt #: 24 total cpu time spent up to now is 260.7 secs Computing kpt #: 25 total cpu time spent up to now is 270.0 secs Computing kpt #: 26 total cpu time spent up to now is 279.1 secs Computing kpt #: 27 total cpu time spent up to now is 288.2 secs Computing kpt #: 28 total cpu time spent up to now is 297.3 secs Computing kpt #: 29 total cpu time spent up to now is 306.3 secs Computing kpt #: 30 total cpu time spent up to now is 315.6 secs Computing kpt #: 31 total cpu time spent up to now is 324.5 secs Computing kpt #: 32 total cpu time spent up to now is 333.5 secs Computing kpt #: 33 total cpu time spent up to now is 342.5 secs Computing kpt #: 34 total cpu time spent up to now is 354.5 secs Computing kpt #: 35 total cpu time spent up to now is 363.4 secs Computing kpt #: 36 total cpu time spent up to now is 372.3 secs Computing kpt #: 37 total cpu time spent up to now is 381.2 secs Computing kpt #: 38 total cpu time spent up to now is 390.0 secs Computing kpt #: 39 total cpu time spent up to now is 398.9 secs Computing kpt #: 40 total cpu time spent up to now is 407.9 secs Computing kpt #: 41 total cpu time spent up to now is 416.8 secs Computing kpt #: 42 total cpu time spent up to now is 425.7 secs Computing kpt #: 43 total cpu time spent up to now is 434.8 secs Computing kpt #: 44 total cpu time spent up to now is 443.7 secs Computing kpt #: 45 total cpu time spent up to now is 452.6 secs Computing kpt #: 46 total cpu time spent up to now is 461.5 secs Computing kpt #: 47 total cpu time spent up to now is 470.4 secs Computing kpt #: 48 total cpu time spent up to now is 479.3 secs Computing kpt #: 49 total cpu time spent up to now is 488.4 secs Computing kpt #: 50 total cpu time spent up to now is 497.3 secs Computing kpt #: 51 total cpu time spent up to now is 506.1 secs Computing kpt #: 52 total cpu time spent up to now is 513.8 secs Computing kpt #: 53 total cpu time spent up to now is 521.7 secs Computing kpt #: 54 total cpu time spent up to now is 529.4 secs Computing kpt #: 55 total cpu time spent up to now is 537.1 secs Computing kpt #: 56 total cpu time spent up to now is 544.7 secs Computing kpt #: 57 total cpu time spent up to now is 552.4 secs Computing kpt #: 58 total cpu time spent up to now is 561.0 secs Computing kpt #: 59 total cpu time spent up to now is 568.8 secs Computing kpt #: 60 total cpu time spent up to now is 576.6 secs Computing kpt #: 61 total cpu time spent up to now is 584.5 secs Computing kpt #: 62 total cpu time spent up to now is 592.4 secs Computing kpt #: 63 total cpu time spent up to now is 600.4 secs Computing kpt #: 64 total cpu time spent up to now is 609.4 secs Computing kpt #: 65 total cpu time spent up to now is 618.6 secs Computing kpt #: 66 total cpu time spent up to now is 628.0 secs Computing kpt #: 67 total cpu time spent up to now is 637.5 secs Computing kpt #: 68 total cpu time spent up to now is 646.9 secs Computing kpt #: 69 total cpu time spent up to now is 657.3 secs Computing kpt #: 70 total cpu time spent up to now is 666.6 secs Computing kpt #: 71 total cpu time spent up to now is 675.8 secs Computing kpt #: 72 total cpu time spent up to now is 685.2 secs Computing kpt #: 73 total cpu time spent up to now is 694.7 secs Computing kpt #: 74 total cpu time spent up to now is 704.1 secs Computing kpt #: 75 total cpu time spent up to now is 713.7 secs Computing kpt #: 76 total cpu time spent up to now is 723.2 secs Computing kpt #: 77 total cpu time spent up to now is 732.9 secs Computing kpt #: 78 total cpu time spent up to now is 742.6 secs Computing kpt #: 79 total cpu time spent up to now is 752.3 secs Computing kpt #: 80 total cpu time spent up to now is 761.9 secs Computing kpt #: 81 total cpu time spent up to now is 771.7 secs Computing kpt #: 82 total cpu time spent up to now is 781.5 secs Computing kpt #: 83 total cpu time spent up to now is 791.0 secs Computing kpt #: 84 total cpu time spent up to now is 800.5 secs Computing kpt #: 85 total cpu time spent up to now is 810.0 secs Computing kpt #: 86 total cpu time spent up to now is 819.2 secs Computing kpt #: 87 total cpu time spent up to now is 828.4 secs Computing kpt #: 88 total cpu time spent up to now is 837.6 secs Computing kpt #: 89 total cpu time spent up to now is 846.7 secs Computing kpt #: 90 total cpu time spent up to now is 855.8 secs Computing kpt #: 91 total cpu time spent up to now is 864.9 secs Computing kpt #: 92 total cpu time spent up to now is 874.1 secs Computing kpt #: 93 total cpu time spent up to now is 883.4 secs Computing kpt #: 94 total cpu time spent up to now is 892.6 secs Computing kpt #: 95 total cpu time spent up to now is 901.8 secs Computing kpt #: 96 total cpu time spent up to now is 911.1 secs Computing kpt #: 97 total cpu time spent up to now is 920.2 secs Computing kpt #: 98 total cpu time spent up to now is 929.4 secs Computing kpt #: 99 total cpu time spent up to now is 938.5 secs Computing kpt #: 100 total cpu time spent up to now is 948.4 secs Computing kpt #: 101 total cpu time spent up to now is 957.9 secs Computing kpt #: 102 total cpu time spent up to now is 966.9 secs Computing kpt #: 103 total cpu time spent up to now is 975.9 secs Computing kpt #: 104 total cpu time spent up to now is 984.9 secs Computing kpt #: 105 total cpu time spent up to now is 993.9 secs Computing kpt #: 106 total cpu time spent up to now is 1002.9 secs Computing kpt #: 107 total cpu time spent up to now is 1011.9 secs Computing kpt #: 108 total cpu time spent up to now is 1020.9 secs Computing kpt #: 109 total cpu time spent up to now is 1029.9 secs Computing kpt #: 110 total cpu time spent up to now is 1038.8 secs Computing kpt #: 111 total cpu time spent up to now is 1047.7 secs Computing kpt #: 112 total cpu time spent up to now is 1056.6 secs Computing kpt #: 113 total cpu time spent up to now is 1065.5 secs Computing kpt #: 114 total cpu time spent up to now is 1074.5 secs Computing kpt #: 115 total cpu time spent up to now is 1083.7 secs Computing kpt #: 116 total cpu time spent up to now is 1092.8 secs Computing kpt #: 117 total cpu time spent up to now is 1101.8 secs Computing kpt #: 118 total cpu time spent up to now is 1110.9 secs Computing kpt #: 119 total cpu time spent up to now is 1120.2 secs Computing kpt #: 120 total cpu time spent up to now is 1129.4 secs Computing kpt #: 121 total cpu time spent up to now is 1138.6 secs Computing kpt #: 122 total cpu time spent up to now is 1148.4 secs Computing kpt #: 123 total cpu time spent up to now is 1157.8 secs Computing kpt #: 124 total cpu time spent up to now is 1167.2 secs Computing kpt #: 125 total cpu time spent up to now is 1176.5 secs Computing kpt #: 126 total cpu time spent up to now is 1185.6 secs Computing kpt #: 127 total cpu time spent up to now is 1194.7 secs Computing kpt #: 128 total cpu time spent up to now is 1203.8 secs Computing kpt #: 129 total cpu time spent up to now is 1212.8 secs Computing kpt #: 130 total cpu time spent up to now is 1221.8 secs Computing kpt #: 131 total cpu time spent up to now is 1230.9 secs Computing kpt #: 132 total cpu time spent up to now is 1239.8 secs Computing kpt #: 133 total cpu time spent up to now is 1249.8 secs Computing kpt #: 134 total cpu time spent up to now is 1259.1 secs Computing kpt #: 135 total cpu time spent up to now is 1268.0 secs Computing kpt #: 136 total cpu time spent up to now is 1277.0 secs Computing kpt #: 137 total cpu time spent up to now is 1285.9 secs Computing kpt #: 138 total cpu time spent up to now is 1294.8 secs Computing kpt #: 139 total cpu time spent up to now is 1303.7 secs Computing kpt #: 140 total cpu time spent up to now is 1312.6 secs Computing kpt #: 141 total cpu time spent up to now is 1321.5 secs Computing kpt #: 142 total cpu time spent up to now is 1330.4 secs Computing kpt #: 143 total cpu time spent up to now is 1338.3 secs Computing kpt #: 144 total cpu time spent up to now is 1347.2 secs Computing kpt #: 145 total cpu time spent up to now is 1355.2 secs Computing kpt #: 146 total cpu time spent up to now is 1363.0 secs Computing kpt #: 147 total cpu time spent up to now is 1371.0 secs Computing kpt #: 148 total cpu time spent up to now is 1378.9 secs Computing kpt #: 149 total cpu time spent up to now is 1388.1 secs Computing kpt #: 150 total cpu time spent up to now is 1397.0 secs Computing kpt #: 151 total cpu time spent up to now is 1406.1 secs Computing kpt #: 152 total cpu time spent up to now is 1415.0 secs Computing kpt #: 153 total cpu time spent up to now is 1424.0 secs Computing kpt #: 154 total cpu time spent up to now is 1433.0 secs Computing kpt #: 155 total cpu time spent up to now is 1442.1 secs Computing kpt #: 156 total cpu time spent up to now is 1451.3 secs Computing kpt #: 157 total cpu time spent up to now is 1460.3 secs Computing kpt #: 158 total cpu time spent up to now is 1469.2 secs Computing kpt #: 159 total cpu time spent up to now is 1478.3 secs Computing kpt #: 160 total cpu time spent up to now is 1487.2 secs Computing kpt #: 161 total cpu time spent up to now is 1496.2 secs Computing kpt #: 162 total cpu time spent up to now is 1505.2 secs Computing kpt #: 163 total cpu time spent up to now is 1514.2 secs Computing kpt #: 164 total cpu time spent up to now is 1523.2 secs Computing kpt #: 165 total cpu time spent up to now is 1532.2 secs Computing kpt #: 166 total cpu time spent up to now is 1541.1 secs Computing kpt #: 167 total cpu time spent up to now is 1551.0 secs Computing kpt #: 168 total cpu time spent up to now is 1560.1 secs Computing kpt #: 169 total cpu time spent up to now is 1568.9 secs Computing kpt #: 170 total cpu time spent up to now is 1577.8 secs Computing kpt #: 171 total cpu time spent up to now is 1586.7 secs Computing kpt #: 172 total cpu time spent up to now is 1595.7 secs Computing kpt #: 173 total cpu time spent up to now is 1604.6 secs Computing kpt #: 174 total cpu time spent up to now is 1613.5 secs Computing kpt #: 175 total cpu time spent up to now is 1622.3 secs Computing kpt #: 176 total cpu time spent up to now is 1631.2 secs Computing kpt #: 177 total cpu time spent up to now is 1640.1 secs Computing kpt #: 178 total cpu time spent up to now is 1648.0 secs Computing kpt #: 179 total cpu time spent up to now is 1655.9 secs Computing kpt #: 180 total cpu time spent up to now is 1664.8 secs Computing kpt #: 181 total cpu time spent up to now is 1673.7 secs Computing kpt #: 182 total cpu time spent up to now is 1681.6 secs Computing kpt #: 183 total cpu time spent up to now is 1690.9 secs Computing kpt #: 184 total cpu time spent up to now is 1699.7 secs Computing kpt #: 185 total cpu time spent up to now is 1708.6 secs Computing kpt #: 186 total cpu time spent up to now is 1717.6 secs Computing kpt #: 187 total cpu time spent up to now is 1726.5 secs Computing kpt #: 188 total cpu time spent up to now is 1735.5 secs Computing kpt #: 189 total cpu time spent up to now is 1744.5 secs Computing kpt #: 190 total cpu time spent up to now is 1753.4 secs Computing kpt #: 191 total cpu time spent up to now is 1762.5 secs Computing kpt #: 192 total cpu time spent up to now is 1771.5 secs Computing kpt #: 193 total cpu time spent up to now is 1780.7 secs Computing kpt #: 194 total cpu time spent up to now is 1789.7 secs Computing kpt #: 195 total cpu time spent up to now is 1798.6 secs Computing kpt #: 196 total cpu time spent up to now is 1807.6 secs Computing kpt #: 197 total cpu time spent up to now is 1816.5 secs Computing kpt #: 198 total cpu time spent up to now is 1825.6 secs Computing kpt #: 199 total cpu time spent up to now is 1834.6 secs Computing kpt #: 200 total cpu time spent up to now is 1843.8 secs Computing kpt #: 201 total cpu time spent up to now is 1854.2 secs Computing kpt #: 202 total cpu time spent up to now is 1863.6 secs Computing kpt #: 203 total cpu time spent up to now is 1873.0 secs Computing kpt #: 204 total cpu time spent up to now is 1882.3 secs Computing kpt #: 205 total cpu time spent up to now is 1891.6 secs Computing kpt #: 206 total cpu time spent up to now is 1900.9 secs Computing kpt #: 207 total cpu time spent up to now is 1910.1 secs Computing kpt #: 208 total cpu time spent up to now is 1919.3 secs Computing kpt #: 209 total cpu time spent up to now is 1928.3 secs Computing kpt #: 210 total cpu time spent up to now is 1937.3 secs Computing kpt #: 211 total cpu time spent up to now is 1946.4 secs Computing kpt #: 212 total cpu time spent up to now is 1955.4 secs Computing kpt #: 213 total cpu time spent up to now is 1964.4 secs Computing kpt #: 214 total cpu time spent up to now is 1973.2 secs Computing kpt #: 215 total cpu time spent up to now is 1982.5 secs Computing kpt #: 216 total cpu time spent up to now is 1991.4 secs Computing kpt #: 217 total cpu time spent up to now is 2000.3 secs Computing kpt #: 218 total cpu time spent up to now is 2009.3 secs Computing kpt #: 219 total cpu time spent up to now is 2018.2 secs Computing kpt #: 220 total cpu time spent up to now is 2027.1 secs Computing kpt #: 221 total cpu time spent up to now is 2036.0 secs Computing kpt #: 222 total cpu time spent up to now is 2044.9 secs Computing kpt #: 223 total cpu time spent up to now is 2054.1 secs Computing kpt #: 224 total cpu time spent up to now is 2063.7 secs Computing kpt #: 225 total cpu time spent up to now is 2073.2 secs Computing kpt #: 226 total cpu time spent up to now is 2082.6 secs Computing kpt #: 227 total cpu time spent up to now is 2092.0 secs Computing kpt #: 228 total cpu time spent up to now is 2101.5 secs Computing kpt #: 229 total cpu time spent up to now is 2110.9 secs Computing kpt #: 230 total cpu time spent up to now is 2120.3 secs Computing kpt #: 231 total cpu time spent up to now is 2129.6 secs Computing kpt #: 232 total cpu time spent up to now is 2138.8 secs Computing kpt #: 233 total cpu time spent up to now is 2148.2 secs Computing kpt #: 234 total cpu time spent up to now is 2158.4 secs Computing kpt #: 235 total cpu time spent up to now is 2167.4 secs Computing kpt #: 236 total cpu time spent up to now is 2176.5 secs Computing kpt #: 237 total cpu time spent up to now is 2185.6 secs Computing kpt #: 238 total cpu time spent up to now is 2194.7 secs Computing kpt #: 239 total cpu time spent up to now is 2203.8 secs Computing kpt #: 240 total cpu time spent up to now is 2213.0 secs Computing kpt #: 241 total cpu time spent up to now is 2222.3 secs Computing kpt #: 242 total cpu time spent up to now is 2231.5 secs Computing kpt #: 243 total cpu time spent up to now is 2240.8 secs Computing kpt #: 244 total cpu time spent up to now is 2250.0 secs Computing kpt #: 245 total cpu time spent up to now is 2259.3 secs Computing kpt #: 246 total cpu time spent up to now is 2268.7 secs Computing kpt #: 247 total cpu time spent up to now is 2278.0 secs Computing kpt #: 248 total cpu time spent up to now is 2287.5 secs Computing kpt #: 249 total cpu time spent up to now is 2296.7 secs Computing kpt #: 250 total cpu time spent up to now is 2305.8 secs Computing kpt #: 251 total cpu time spent up to now is 2314.9 secs Computing kpt #: 252 total cpu time spent up to now is 2324.0 secs Computing kpt #: 253 total cpu time spent up to now is 2333.0 secs Computing kpt #: 254 total cpu time spent up to now is 2342.0 secs Computing kpt #: 255 total cpu time spent up to now is 2351.0 secs Computing kpt #: 256 total cpu time spent up to now is 2359.9 secs Computing kpt #: 257 total cpu time spent up to now is 2368.9 secs Computing kpt #: 258 total cpu time spent up to now is 2378.0 secs Computing kpt #: 259 total cpu time spent up to now is 2387.0 secs Computing kpt #: 260 total cpu time spent up to now is 2396.1 secs Computing kpt #: 261 total cpu time spent up to now is 2405.4 secs Computing kpt #: 262 total cpu time spent up to now is 2414.6 secs Computing kpt #: 263 total cpu time spent up to now is 2424.0 secs Computing kpt #: 264 total cpu time spent up to now is 2433.2 secs Computing kpt #: 265 total cpu time spent up to now is 2442.4 secs Computing kpt #: 266 total cpu time spent up to now is 2452.7 secs Computing kpt #: 267 total cpu time spent up to now is 2461.9 secs Computing kpt #: 268 total cpu time spent up to now is 2470.8 secs Computing kpt #: 269 total cpu time spent up to now is 2479.8 secs Computing kpt #: 270 total cpu time spent up to now is 2488.8 secs Computing kpt #: 271 total cpu time spent up to now is 2497.8 secs Computing kpt #: 272 total cpu time spent up to now is 2506.8 secs Computing kpt #: 273 total cpu time spent up to now is 2515.7 secs Computing kpt #: 274 total cpu time spent up to now is 2524.7 secs Computing kpt #: 275 total cpu time spent up to now is 2533.7 secs Computing kpt #: 276 total cpu time spent up to now is 2542.7 secs Computing kpt #: 277 total cpu time spent up to now is 2551.9 secs Computing kpt #: 278 total cpu time spent up to now is 2560.9 secs Computing kpt #: 279 total cpu time spent up to now is 2569.8 secs Computing kpt #: 280 total cpu time spent up to now is 2578.9 secs Computing kpt #: 281 total cpu time spent up to now is 2588.1 secs Computing kpt #: 282 total cpu time spent up to now is 2597.1 secs Computing kpt #: 283 total cpu time spent up to now is 2606.1 secs Computing kpt #: 284 total cpu time spent up to now is 2615.1 secs Computing kpt #: 285 total cpu time spent up to now is 2624.1 secs Computing kpt #: 286 total cpu time spent up to now is 2633.1 secs Computing kpt #: 287 total cpu time spent up to now is 2642.0 secs Computing kpt #: 288 total cpu time spent up to now is 2650.9 secs Computing kpt #: 289 total cpu time spent up to now is 2659.7 secs Computing kpt #: 290 total cpu time spent up to now is 2668.6 secs Computing kpt #: 291 total cpu time spent up to now is 2677.4 secs Computing kpt #: 292 total cpu time spent up to now is 2686.2 secs Computing kpt #: 293 total cpu time spent up to now is 2695.0 secs Computing kpt #: 294 total cpu time spent up to now is 2703.9 secs Computing kpt #: 295 total cpu time spent up to now is 2712.7 secs Computing kpt #: 296 total cpu time spent up to now is 2721.4 secs Computing kpt #: 297 total cpu time spent up to now is 2730.3 secs Computing kpt #: 298 total cpu time spent up to now is 2739.2 secs Computing kpt #: 299 total cpu time spent up to now is 2748.3 secs Computing kpt #: 300 total cpu time spent up to now is 2759.9 secs Computing kpt #: 301 total cpu time spent up to now is 2769.3 secs Computing kpt #: 302 total cpu time spent up to now is 2778.3 secs Computing kpt #: 303 total cpu time spent up to now is 2787.3 secs Computing kpt #: 304 total cpu time spent up to now is 2796.3 secs Computing kpt #: 305 total cpu time spent up to now is 2805.4 secs Computing kpt #: 306 total cpu time spent up to now is 2814.5 secs Computing kpt #: 307 total cpu time spent up to now is 2823.7 secs Computing kpt #: 308 total cpu time spent up to now is 2832.9 secs Computing kpt #: 309 total cpu time spent up to now is 2842.3 secs Computing kpt #: 310 total cpu time spent up to now is 2851.5 secs Computing kpt #: 311 total cpu time spent up to now is 2860.8 secs Computing kpt #: 312 total cpu time spent up to now is 2870.1 secs Computing kpt #: 313 total cpu time spent up to now is 2879.1 secs Computing kpt #: 314 total cpu time spent up to now is 2888.4 secs Computing kpt #: 315 total cpu time spent up to now is 2897.2 secs Computing kpt #: 316 total cpu time spent up to now is 2906.2 secs Computing kpt #: 317 total cpu time spent up to now is 2915.0 secs Computing kpt #: 318 total cpu time spent up to now is 2923.9 secs Computing kpt #: 319 total cpu time spent up to now is 2932.8 secs Computing kpt #: 320 total cpu time spent up to now is 2941.7 secs Computing kpt #: 321 total cpu time spent up to now is 2950.6 secs Computing kpt #: 322 total cpu time spent up to now is 2959.5 secs Computing kpt #: 323 total cpu time spent up to now is 2968.3 secs Computing kpt #: 324 total cpu time spent up to now is 2977.2 secs Computing kpt #: 325 total cpu time spent up to now is 2986.0 secs Computing kpt #: 326 total cpu time spent up to now is 2995.0 secs Computing kpt #: 327 total cpu time spent up to now is 3004.0 secs Computing kpt #: 328 total cpu time spent up to now is 3012.9 secs Computing kpt #: 329 total cpu time spent up to now is 3021.9 secs Computing kpt #: 330 total cpu time spent up to now is 3030.8 secs Computing kpt #: 331 total cpu time spent up to now is 3038.6 secs Computing kpt #: 332 total cpu time spent up to now is 3046.2 secs Computing kpt #: 333 total cpu time spent up to now is 3056.8 secs Computing kpt #: 334 total cpu time spent up to now is 3065.5 secs Computing kpt #: 335 total cpu time spent up to now is 3074.2 secs Computing kpt #: 336 total cpu time spent up to now is 3083.0 secs Computing kpt #: 337 total cpu time spent up to now is 3091.8 secs Computing kpt #: 338 total cpu time spent up to now is 3100.7 secs Computing kpt #: 339 total cpu time spent up to now is 3109.7 secs ethr = 2.50E-11, avg # of iterations = 24.5 total cpu time spent up to now is 3109.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -7.9193 -7.9193 -7.5770 -7.5770 -6.1885 -6.1885 -3.5942 -3.5942 -2.0552 -2.0552 0.8259 0.8259 2.0023 2.0023 4.5623 4.5623 5.0738 5.0738 5.2897 5.2897 5.3036 5.3036 5.6434 5.6434 5.6571 5.6571 6.0547 6.0547 6.0627 6.0627 8.3569 8.3569 8.7883 8.7883 8.7998 8.7998 9.4005 9.4005 9.4093 9.4093 9.8401 9.8401 11.3025 11.3025 11.6520 11.6520 13.3452 13.3452 k = 0.0089-0.0362-0.0211 ( 4108 PWs) bands (ev): -7.9185 -7.9185 -7.5762 -7.5762 -6.1874 -6.1874 -3.5931 -3.5931 -2.0542 -2.0542 0.8269 0.8269 2.0033 2.0034 4.5616 4.5616 5.0690 5.0696 5.2888 5.2897 5.3030 5.3031 5.6409 5.6413 5.6549 5.6550 6.0502 6.0502 6.0595 6.0595 8.3565 8.3565 8.7853 8.7854 8.7971 8.7971 9.3963 9.3963 9.4068 9.4068 9.8448 9.8449 11.3083 11.3083 11.6542 11.6543 13.3429 13.3430 k = 0.0179-0.0725-0.0422 ( 4110 PWs) bands (ev): -7.9161 -7.9161 -7.5739 -7.5738 -6.1842 -6.1842 -3.5898 -3.5898 -2.0513 -2.0513 0.8298 0.8298 2.0064 2.0064 4.5596 4.5596 5.0555 5.0567 5.2868 5.2886 5.3013 5.3015 5.6325 5.6335 5.6497 5.6499 6.0334 6.0335 6.0536 6.0536 8.3550 8.3550 8.7751 8.7752 8.7905 8.7905 9.3794 9.3794 9.4038 9.4038 9.8586 9.8587 11.3255 11.3256 11.6609 11.6611 13.3287 13.3289 k = 0.0268-0.1087-0.0634 ( 4100 PWs) bands (ev): -7.9120 -7.9120 -7.5699 -7.5699 -6.1787 -6.1787 -3.5843 -3.5843 -2.0463 -2.0463 0.8345 0.8346 2.0114 2.0114 4.5561 4.5562 5.0339 5.0355 5.2836 5.2857 5.2983 5.2990 5.6168 5.6182 5.6433 5.6436 6.0042 6.0043 6.0458 6.0458 8.3520 8.3520 8.7566 8.7566 8.7818 8.7818 9.3506 9.3507 9.4010 9.4010 9.8801 9.8803 11.3537 11.3538 11.6720 11.6722 13.3003 13.3005 k = 0.0357-0.1449-0.0845 ( 4101 PWs) bands (ev): -7.9064 -7.9063 -7.5644 -7.5644 -6.1711 -6.1711 -3.5765 -3.5765 -2.0394 -2.0394 0.8412 0.8413 2.0184 2.0185 4.5509 4.5510 5.0047 5.0065 5.2785 5.2807 5.2936 5.2948 5.5937 5.5956 5.6359 5.6361 5.9647 5.9648 6.0355 6.0355 8.3464 8.3464 8.7311 8.7311 8.7708 8.7708 9.3123 9.3123 9.3975 9.3975 9.9077 9.9079 11.3918 11.3920 11.6872 11.6875 13.2611 13.2614 k = 0.0446-0.1811-0.1056 ( 4090 PWs) bands (ev): -7.8991 -7.8990 -7.5574 -7.5573 -6.1613 -6.1613 -3.5666 -3.5666 -2.0306 -2.0306 0.8498 0.8499 2.0275 2.0275 4.5436 4.5439 4.9685 4.9705 5.2713 5.2736 5.2863 5.2879 5.5640 5.5661 5.6270 5.6272 5.9169 5.9171 6.0225 6.0225 8.3367 8.3367 8.7008 8.7008 8.7573 8.7573 9.2658 9.2659 9.3930 9.3930 9.9400 9.9403 11.4385 11.4387 11.7062 11.7065 13.2142 13.2145 k = 0.0536-0.2174-0.1267 ( 4088 PWs) bands (ev): -7.8903 -7.8901 -7.5488 -7.5487 -6.1493 -6.1493 -3.5545 -3.5545 -2.0198 -2.0198 0.8603 0.8604 2.0385 2.0385 4.5339 4.5342 4.9260 4.9280 5.2618 5.2644 5.2754 5.2771 5.5274 5.5297 5.6164 5.6165 5.8638 5.8641 6.0070 6.0070 8.3206 8.3206 8.6683 8.6684 8.7412 8.7412 9.2123 9.2123 9.3875 9.3875 9.9760 9.9763 11.4917 11.4920 11.7288 11.7292 13.1621 13.1624 k = 0.0625-0.2536-0.1479 ( 4083 PWs) bands (ev): -7.8798 -7.8797 -7.5387 -7.5386 -6.1352 -6.1351 -3.5402 -3.5402 -2.0071 -2.0071 0.8726 0.8727 2.0514 2.0515 4.5211 4.5215 4.8779 4.8800 5.2489 5.2527 5.2608 5.2615 5.4833 5.4857 5.6041 5.6042 5.8093 5.8097 5.9891 5.9891 8.2953 8.2953 8.6369 8.6370 8.7227 8.7227 9.1523 9.1524 9.3810 9.3810 10.0150 10.0153 11.5487 11.5490 11.7552 11.7558 13.1079 13.1083 k = 0.0714-0.2898-0.1690 ( 4086 PWs) bands (ev): -7.8678 -7.8677 -7.5271 -7.5269 -6.1189 -6.1188 -3.5237 -3.5237 -1.9925 -1.9925 0.8867 0.8869 2.0662 2.0663 4.5043 4.5049 4.8249 4.8270 5.2287 5.2336 5.2443 5.2449 5.4305 5.4327 5.5900 5.5900 5.7580 5.7586 5.9689 5.9689 8.2581 8.2581 8.6097 8.6097 8.7019 8.7019 9.0865 9.0866 9.3733 9.3733 10.0562 10.0565 11.6048 11.6053 11.7865 11.7872 13.0550 13.0554 k = 0.0804-0.3261-0.1901 ( 4081 PWs) bands (ev): -7.8543 -7.8541 -7.5140 -7.5138 -6.1004 -6.1004 -3.5051 -3.5051 -1.9760 -1.9760 0.9027 0.9028 2.0829 2.0830 4.4824 4.4831 4.7678 4.7700 5.1977 5.2021 5.2293 5.2296 5.3682 5.3700 5.5742 5.5742 5.7144 5.7153 5.9467 5.9468 8.2074 8.2074 8.5885 8.5886 8.6789 8.6789 9.0154 9.0156 9.3645 9.3645 10.0990 10.0994 11.6537 11.6542 11.8253 11.8260 13.0071 13.0076 k = 0.0893-0.3623-0.2112 ( 4077 PWs) bands (ev): -7.8392 -7.8390 -7.4993 -7.4992 -6.0798 -6.0798 -3.4843 -3.4843 -1.9577 -1.9576 0.9204 0.9206 2.1013 2.1014 4.4539 4.4548 4.7077 4.7099 5.1551 5.1587 5.2135 5.2136 5.2986 5.2997 5.5567 5.5568 5.6812 5.6822 5.9227 5.9228 8.1435 8.1435 8.5736 8.5737 8.6539 8.6539 8.9394 8.9396 9.3546 9.3546 10.1431 10.1435 11.6881 11.6886 11.8741 11.8748 12.9685 12.9690 k = 0.0982-0.3985-0.2323 ( 4076 PWs) bands (ev): -7.8227 -7.8225 -7.4833 -7.4831 -6.0570 -6.0570 -3.4613 -3.4613 -1.9375 -1.9374 0.9399 0.9401 2.1215 2.1217 4.4172 4.4183 4.6453 4.6476 5.0973 5.0998 5.1964 5.1964 5.2284 5.2285 5.5376 5.5377 5.6583 5.6593 5.8972 5.8972 8.0681 8.0681 8.5636 8.5637 8.6271 8.6271 8.8590 8.8592 9.3435 9.3435 10.1879 10.1883 11.7042 11.7047 11.9317 11.9322 12.9435 12.9440 k = 0.1071-0.4347-0.2535 ( 4078 PWs) bands (ev): -7.8047 -7.8045 -7.4658 -7.4656 -6.0322 -6.0321 -3.4363 -3.4362 -1.9154 -1.9154 0.9611 0.9613 2.1434 2.1435 4.3707 4.3720 4.5812 4.5836 5.0201 5.0214 5.1642 5.1650 5.1788 5.1789 5.5169 5.5170 5.6440 5.6450 5.8702 5.8702 7.9833 7.9833 8.5568 8.5570 8.5986 8.5986 8.7746 8.7749 9.3312 9.3312 10.2328 10.2333 11.7021 11.7024 11.9931 11.9935 12.9359 12.9366 k = 0.1161-0.4710-0.2746 ( 4074 PWs) bands (ev): -7.7853 -7.7850 -7.4469 -7.4467 -6.0052 -6.0052 -3.4091 -3.4091 -1.8917 -1.8916 0.9839 0.9841 2.1668 2.1669 4.3138 4.3153 4.5151 4.5175 4.9257 4.9263 5.1116 5.1130 5.1588 5.1588 5.4947 5.4948 5.6362 5.6372 5.8420 5.8420 7.8907 7.8907 8.5516 8.5520 8.5687 8.5688 8.6871 8.6876 9.3179 9.3179 10.2776 10.2781 11.6826 11.6829 12.0536 12.0540 12.9486 12.9493 k = 0.1250-0.5072-0.2957 ( 4077 PWs) bands (ev): -7.7645 -7.7642 -7.4267 -7.4264 -5.9761 -5.9761 -3.3798 -3.3798 -1.8661 -1.8661 1.0084 1.0086 2.1916 2.1917 4.2467 4.2483 4.4453 4.4478 4.8212 4.8214 5.0666 5.0681 5.1378 5.1379 5.4710 5.4711 5.6332 5.6341 5.8129 5.8129 7.7921 7.7921 8.5368 8.5369 8.5451 8.5458 8.5994 8.6003 9.3034 9.3034 10.3216 10.3222 11.6470 11.6473 12.1102 12.1106 12.9817 12.9826 k = 0.1339-0.5434-0.3168 ( 4080 PWs) bands (ev): -7.7423 -7.7420 -7.4051 -7.4049 -5.9449 -5.9449 -3.3485 -3.3485 -1.8389 -1.8389 1.0343 1.0345 2.2177 2.2179 4.1704 4.1722 4.3696 4.3720 4.7125 4.7126 5.0277 5.0291 5.1157 5.1157 5.4461 5.4461 5.6335 5.6342 5.7831 5.7831 7.6886 7.6886 8.4937 8.4944 8.5048 8.5049 8.5536 8.5544 9.2878 9.2878 10.3645 10.3650 11.5973 11.5976 12.1610 12.1613 13.0338 13.0347 k = 0.1429-0.5797-0.3380 ( 4085 PWs) bands (ev): -7.7188 -7.7185 -7.3823 -7.3820 -5.9117 -5.9116 -3.3151 -3.3151 -1.8100 -1.8100 1.0617 1.0620 2.2450 2.2451 4.0864 4.0882 4.2857 4.2881 4.6038 4.6038 4.9939 4.9951 5.0924 5.0924 5.4198 5.4199 5.6359 5.6366 5.7526 5.7527 7.5813 7.5813 8.4011 8.4012 8.4714 8.4714 8.5475 8.5478 9.2713 9.2713 10.4056 10.4061 11.5360 11.5363 12.2047 12.2051 13.1012 13.1023 k = 0.1518-0.6159-0.3591 ( 4081 PWs) bands (ev): -7.6941 -7.6937 -7.3582 -7.3579 -5.8764 -5.8763 -3.2797 -3.2797 -1.7795 -1.7795 1.0905 1.0907 2.2731 2.2733 3.9954 3.9973 4.1929 4.1952 4.4978 4.4978 4.9645 4.9656 5.0680 5.0681 5.3925 5.3926 5.6397 5.6403 5.7219 5.7219 7.4711 7.4711 8.3039 8.3039 8.4372 8.4372 8.5433 8.5435 9.2537 9.2538 10.4443 10.4448 11.4659 11.4662 12.2404 12.2408 13.1794 13.1808 k = 0.1607-0.6521-0.3802 ( 4084 PWs) bands (ev): -7.6681 -7.6678 -7.3329 -7.3325 -5.8390 -5.8390 -3.2423 -3.2423 -1.7475 -1.7475 1.1206 1.1208 2.3018 2.3020 3.8979 3.8998 4.0919 4.0942 4.3958 4.3959 4.9389 4.9398 5.0426 5.0427 5.3642 5.3642 5.6440 5.6446 5.6909 5.6910 7.3590 7.3590 8.2049 8.2050 8.4022 8.4023 8.5386 8.5387 9.2353 9.2353 10.4800 10.4805 11.3897 11.3901 12.2671 12.2675 13.2622 13.2641 k = 0.1696-0.6883-0.4013 ( 4082 PWs) bands (ev): -7.6410 -7.6406 -7.3064 -7.3061 -5.7996 -5.7996 -3.2029 -3.2029 -1.7140 -1.7140 1.1518 1.1520 2.3308 2.3309 3.7937 3.7955 3.9855 3.9876 4.2978 4.2980 4.9161 4.9169 5.0163 5.0163 5.3350 5.3350 5.6480 5.6489 5.6599 5.6603 7.2456 7.2456 8.1051 8.1052 8.3668 8.3668 8.5330 8.5331 9.2161 9.2161 10.5116 10.5121 11.3102 11.3106 12.2833 12.2838 13.3339 13.3374 k = 0.1786-0.7246-0.4224 ( 4079 PWs) bands (ev): -7.6128 -7.6124 -7.2789 -7.2785 -5.7583 -5.7582 -3.1616 -3.1616 -1.6791 -1.6791 1.1840 1.1842 2.3593 2.3594 3.6825 3.6842 3.8772 3.8791 4.2031 4.2033 4.8954 4.8960 4.9890 4.9891 5.3052 5.3052 5.6286 5.6288 5.6526 5.6527 7.1317 7.1317 8.0050 8.0051 8.3310 8.3310 8.5262 8.5262 9.1962 9.1962 10.5378 10.5382 11.2301 11.2305 12.2876 12.2881 13.3304 13.3334 k = 0.1875-0.7608-0.4436 ( 4073 PWs) bands (ev): -7.5835 -7.5831 -7.2503 -7.2499 -5.7150 -5.7149 -3.1184 -3.1184 -1.6429 -1.6428 1.2170 1.2173 2.3867 2.3869 3.5645 3.5661 3.7699 3.7716 4.1111 4.1114 4.8758 4.8763 4.9610 4.9610 5.2748 5.2748 5.5979 5.5980 5.6551 5.6554 7.0180 7.0180 7.9053 7.9054 8.2948 8.2949 8.5180 8.5181 9.1756 9.1756 10.5565 10.5568 11.1524 11.1529 12.2784 12.2789 13.2626 13.2641 k = 0.1964-0.7970-0.4647 ( 4077 PWs) bands (ev): -7.5533 -7.5529 -7.2207 -7.2203 -5.6697 -5.6697 -3.0733 -3.0733 -1.6054 -1.6053 1.2508 1.2511 2.4119 2.4120 3.4410 3.4424 3.6657 3.6672 4.0213 4.0216 4.8564 4.8569 4.9322 4.9322 5.2440 5.2440 5.5673 5.5673 5.6562 5.6564 6.9053 6.9054 7.8066 7.8067 8.2586 8.2586 8.5085 8.5086 9.1544 9.1544 10.5644 10.5646 11.0811 11.0817 12.2547 12.2552 13.1902 13.1911 k = 0.2054-0.8333-0.4858 ( 4072 PWs) bands (ev): -7.5221 -7.5217 -7.1902 -7.1898 -5.6225 -5.6225 -3.0265 -3.0264 -1.5667 -1.5666 1.2850 1.2853 2.4330 2.4330 3.3145 3.3158 3.5653 3.5666 3.9336 3.9339 4.8366 4.8370 4.9027 4.9028 5.2130 5.2130 5.5370 5.5370 5.6550 5.6552 6.7944 6.7944 7.7094 7.7095 8.2223 8.2223 8.4975 8.4975 9.1327 9.1327 10.5574 10.5575 11.0212 11.0220 12.2163 12.2168 13.1229 13.1236 k = 0.2143-0.8695-0.5069 ( 4077 PWs) bands (ev): -7.4902 -7.4897 -7.1588 -7.1584 -5.5735 -5.5734 -2.9778 -2.9778 -1.5270 -1.5269 1.3195 1.3197 2.4471 2.4471 3.1885 3.1896 3.4691 3.4702 3.8484 3.8487 4.8155 4.8158 4.8727 4.8727 5.1819 5.1819 5.5071 5.5071 5.6511 5.6513 6.6859 6.6859 7.6145 7.6146 8.1861 8.1861 8.4849 8.4850 9.1106 9.1106 10.5311 10.5312 10.9773 10.9782 12.1641 12.1646 13.0619 13.0624 k = 0.2232-0.9057-0.5281 ( 4074 PWs) bands (ev): -7.4574 -7.4569 -7.1267 -7.1263 -5.5226 -5.5226 -2.9275 -2.9274 -1.4863 -1.4862 1.3538 1.3541 2.4496 2.4497 3.0679 3.0690 3.3775 3.3787 3.7661 3.7664 4.7925 4.7927 4.8422 4.8422 5.1509 5.1510 5.4776 5.4776 5.6439 5.6440 6.5806 6.5806 7.5225 7.5226 8.1501 8.1502 8.4708 8.4709 9.0883 9.0883 10.4844 10.4845 10.9510 10.9520 12.1000 12.1006 13.0059 13.0063 k = 0.2321-0.9419-0.5492 ( 4076 PWs) bands (ev): -7.4240 -7.4235 -7.0939 -7.0934 -5.4700 -5.4699 -2.8754 -2.8754 -1.4447 -1.4447 1.3877 1.3880 2.4333 2.4335 2.9592 2.9603 3.2916 3.2929 3.6876 3.6878 4.7668 4.7671 4.8114 4.8114 5.1202 5.1202 5.4486 5.4486 5.6326 5.6327 6.4792 6.4792 7.4340 7.4342 8.1145 8.1145 8.4551 8.4552 9.0657 9.0657 10.4205 10.4207 10.9394 10.9404 12.0266 12.0271 12.9532 12.9536 k = 0.2411-0.9782-0.5703 ( 4081 PWs) bands (ev): -7.3900 -7.3895 -7.0604 -7.0600 -5.4156 -5.4155 -2.8218 -2.8218 -1.4025 -1.4024 1.4208 1.4210 2.3897 2.3899 2.8694 2.8706 3.2131 3.2146 3.6139 3.6141 4.7380 4.7382 4.7802 4.7802 5.0897 5.0898 5.4201 5.4201 5.6167 5.6168 6.3826 6.3826 7.3499 7.3501 8.0792 8.0792 8.4379 8.4379 9.0430 9.0430 10.3445 10.3447 10.9378 10.9388 11.9463 11.9468 12.9020 12.9023 k = 0.2500-1.0144-0.5914 ( 4076 PWs) bands (ev): -7.3554 -7.3550 -7.0265 -7.0260 -5.3595 -5.3594 -2.7666 -2.7666 -1.3597 -1.3597 1.4524 1.4526 2.3145 2.3146 2.7999 2.8014 3.1444 3.1461 3.5465 3.5467 4.7055 4.7057 4.7490 4.7490 5.0598 5.0598 5.3921 5.3921 5.5958 5.5958 6.2912 6.2912 7.2708 7.2710 8.0443 8.0443 8.4191 8.4191 9.0202 9.0202 10.2610 10.2612 10.9418 10.9429 11.8616 11.8621 12.8508 12.8511 k = 0.2589-1.0506-0.6125 ( 4072 PWs) bands (ev): -7.3205 -7.3200 -6.9920 -6.9916 -5.3017 -5.3017 -2.7100 -2.7100 -1.3165 -1.3165 1.4819 1.4821 2.2126 2.2127 2.7431 2.7448 3.0879 3.0898 3.4871 3.4873 4.6691 4.6692 4.7176 4.7177 5.0304 5.0304 5.3648 5.3648 5.5692 5.5692 6.2058 6.2058 7.1972 7.1974 8.0101 8.0101 8.3987 8.3987 8.9975 8.9975 10.1729 10.1731 10.9488 10.9498 11.7745 11.7750 12.7986 12.7989 k = 0.2679-1.0869-0.6337 ( 4065 PWs) bands (ev): -7.2853 -7.2848 -6.9573 -6.9568 -5.2425 -5.2424 -2.6520 -2.6519 -1.2731 -1.2731 1.5084 1.5086 2.0936 2.0938 2.6880 2.6899 3.0440 3.0460 3.4380 3.4382 4.6285 4.6286 4.6864 4.6864 5.0016 5.0016 5.3381 5.3381 5.5366 5.5366 6.1265 6.1265 7.1297 7.1299 7.9765 7.9765 8.3768 8.3769 8.9749 8.9749 10.0824 10.0826 10.9568 10.9578 11.6866 11.6871 12.7452 12.7455 k = 0.2768-1.1231-0.6548 ( 4071 PWs) bands (ev): -7.2498 -7.2493 -6.9223 -6.9218 -5.1817 -5.1817 -2.5926 -2.5926 -1.2297 -1.2296 1.5304 1.5305 1.9661 1.9662 2.6286 2.6305 3.0102 3.0121 3.4010 3.4013 4.5838 4.5839 4.6553 4.6553 4.9735 4.9735 5.3120 5.3120 5.4981 5.4981 6.0536 6.0536 7.0686 7.0688 7.9436 7.9436 8.3535 8.3535 8.9525 8.9525 9.9907 9.9908 10.9650 10.9659 11.5990 11.5995 12.6904 12.6906 k = 0.2857-1.1593-0.6759 ( 4070 PWs) bands (ev): -7.2143 -7.2138 -6.8872 -6.8867 -5.1196 -5.1196 -2.5321 -2.5320 -1.1864 -1.1863 1.5445 1.5445 1.8374 1.8375 2.5642 2.5660 2.9819 2.9836 3.3775 3.3779 4.5354 4.5355 4.6246 4.6246 4.9462 4.9462 5.2867 5.2867 5.4537 5.4537 5.9870 5.9870 7.0140 7.0142 7.9115 7.9115 8.3288 8.3288 8.9304 8.9304 9.8987 9.8988 10.9725 10.9735 11.5129 11.5134 12.6344 12.6346 k = 0.2946-1.1955-0.6970 ( 4068 PWs) bands (ev): -7.1787 -7.1782 -6.8520 -6.8515 -5.0562 -5.0561 -2.4704 -2.4704 -1.1435 -1.1435 1.5395 1.5396 1.7209 1.7209 2.4963 2.4981 2.9557 2.9571 3.3671 3.3676 4.4839 4.4840 4.5942 4.5943 4.9197 4.9197 5.2621 5.2621 5.4038 5.4039 5.9263 5.9263 6.9659 6.9661 7.8802 7.8802 8.3027 8.3028 8.9086 8.9086 9.8071 9.8073 10.9792 10.9802 11.4289 11.4294 12.5776 12.5778 k = 0.3036-1.2318-0.7182 ( 4066 PWs) bands (ev): -7.1433 -7.1428 -6.8170 -6.8165 -4.9916 -4.9915 -2.4078 -2.4077 -1.1013 -1.1012 1.4808 1.4809 1.6521 1.6522 2.4271 2.4286 2.9306 2.9316 3.3675 3.3682 4.4304 4.4305 4.5644 4.5645 4.8941 4.8941 5.2382 5.2383 5.3491 5.3492 5.8711 5.8711 6.9240 6.9242 7.8499 7.8499 8.2754 8.2754 8.8873 8.8873 9.7166 9.7167 10.9846 10.9856 11.3477 11.3483 12.5204 12.5206 k = 0.3125-1.2680-0.7393 ( 4060 PWs) bands (ev): -7.1082 -7.1077 -6.7821 -6.7816 -4.9259 -4.9259 -2.3443 -2.3442 -1.0599 -1.0598 1.3670 1.3671 1.6332 1.6333 2.3578 2.3592 2.9073 2.9079 3.3759 3.3767 4.3761 4.3762 4.5353 4.5353 4.8694 4.8694 5.2152 5.2152 5.2904 5.2905 5.8206 5.8206 6.8880 6.8881 7.8206 7.8206 8.2469 8.2469 8.8664 8.8664 9.6275 9.6276 10.9886 10.9897 11.2699 11.2705 12.4634 12.4636 k = 0.3214-1.3042-0.7604 ( 4054 PWs) bands (ev): -7.0734 -7.0729 -6.7476 -6.7471 -4.8593 -4.8593 -2.2800 -2.2800 -1.0197 -1.0197 1.2366 1.2367 1.6261 1.6262 2.2897 2.2910 2.8870 2.8874 3.3887 3.3896 4.3225 4.3226 4.5069 4.5069 4.8457 4.8457 5.1929 5.1930 5.2287 5.2287 5.7742 5.7742 6.8572 6.8574 7.7923 7.7923 8.2172 8.2172 8.8461 8.8461 9.5403 9.5404 10.9906 10.9919 11.1961 11.1969 12.4069 12.4070 k = 0.3304-1.3405-0.7815 ( 4055 PWs) bands (ev): -7.0391 -7.0386 -6.7136 -6.7131 -4.7920 -4.7920 -2.2152 -2.2151 -0.9810 -0.9809 1.1029 1.1030 1.6180 1.6182 2.2235 2.2245 2.8708 2.8709 3.4029 3.4040 4.2714 4.2714 4.4793 4.4793 4.8229 4.8229 5.1643 5.1647 5.1718 5.1721 5.7312 5.7312 6.8311 6.8313 7.7651 7.7651 8.1865 8.1866 8.8264 8.8264 9.4554 9.4556 10.9898 10.9913 11.1276 11.1287 12.3514 12.3515 k = 0.3393-1.3767-0.8026 ( 4046 PWs) bands (ev): -7.0055 -7.0050 -6.6801 -6.6797 -4.7241 -4.7241 -2.1499 -2.1499 -0.9440 -0.9439 0.9695 0.9695 1.6063 1.6064 2.1595 2.1604 2.8589 2.8591 3.4161 3.4173 4.2245 4.2246 4.4526 4.4526 4.8011 4.8011 5.0999 5.1000 5.1512 5.1513 5.6908 5.6908 6.8091 6.8093 7.7390 7.7390 8.1549 8.1550 8.8074 8.8074 9.3733 9.3734 10.9825 10.9844 11.0681 11.0697 12.2972 12.2973 k = 0.3482-1.4129-0.8238 ( 4046 PWs) bands (ev): -6.9726 -6.9721 -6.6474 -6.6470 -4.6559 -4.6558 -2.0844 -2.0844 -0.9091 -0.9090 0.8377 0.8377 1.5903 1.5904 2.0983 2.0990 2.8513 2.8518 3.4260 3.4273 4.1836 4.1837 4.4270 4.4270 4.7804 4.7804 5.0354 5.0355 5.1317 5.1317 5.6524 5.6524 6.7906 6.7907 7.7141 7.7141 8.1225 8.1225 8.7892 8.7892 9.2942 9.2943 10.9571 10.9590 11.0300 11.0316 12.2447 12.2448 k = 0.3571-1.4491-0.8449 ( 4046 PWs) bands (ev): -6.9406 -6.9402 -6.6156 -6.6151 -4.5875 -4.5875 -2.0189 -2.0189 -0.8766 -0.8765 0.7085 0.7085 1.5705 1.5706 2.0400 2.0406 2.8474 2.8480 3.4313 3.4326 4.1501 4.1502 4.4024 4.4024 4.7607 4.7608 4.9725 4.9725 5.1131 5.1131 5.6154 5.6154 6.7750 6.7751 7.6904 7.6904 8.0893 8.0894 8.7717 8.7717 9.2186 9.2187 10.9112 10.9124 11.0162 11.0170 12.1942 12.1943 k = 0.3661-1.4854-0.8660 ( 4048 PWs) bands (ev): -6.9097 -6.9093 -6.5848 -6.5843 -4.5193 -4.5193 -1.9536 -1.9536 -0.8468 -0.8467 0.5825 0.5825 1.5476 1.5477 1.9848 1.9853 2.8461 2.8469 3.4312 3.4325 4.1246 4.1247 4.3790 4.3790 4.7421 4.7422 4.9123 4.9124 5.0955 5.0955 5.5794 5.5794 6.7619 6.7621 7.6679 7.6679 8.0556 8.0557 8.7550 8.7550 9.1467 9.1468 10.8600 10.8608 11.0106 11.0111 12.1460 12.1460 k = 0.3750-1.5216-0.8871 ( 4045 PWs) bands (ev): -6.8800 -6.8795 -6.5551 -6.5547 -4.4516 -4.4515 -1.8888 -1.8887 -0.8200 -0.8199 0.4603 0.4603 1.5225 1.5225 1.9329 1.9332 2.8462 2.8471 3.4258 3.4272 4.1071 4.1071 4.3568 4.3568 4.7246 4.7247 4.8563 4.8564 5.0789 5.0789 5.5439 5.5439 6.7509 6.7510 7.6468 7.6468 8.0215 8.0216 8.7392 8.7392 9.0790 9.0791 10.8100 10.8105 11.0069 11.0072 12.1001 12.1002 k = 0.3839-1.5578-0.9083 ( 4037 PWs) bands (ev): -6.8515 -6.8511 -6.5267 -6.5263 -4.3847 -4.3846 -1.8247 -1.8246 -0.7965 -0.7964 0.3425 0.3425 1.4961 1.4962 1.8843 1.8845 2.8463 2.8473 3.4162 3.4175 4.0964 4.0965 4.3359 4.3359 4.7083 4.7083 4.8058 4.8058 5.0634 5.0634 5.5087 5.5087 6.7416 6.7417 7.6270 7.6270 7.9872 7.9873 8.7244 8.7244 9.0156 9.0157 10.7629 10.7633 11.0037 11.0038 12.0569 12.0570 k = 0.3929-1.5941-0.9294 ( 4041 PWs) bands (ev): -6.8245 -6.8241 -6.4997 -6.4993 -4.3190 -4.3190 -1.7616 -1.7615 -0.7764 -0.7763 0.2296 0.2296 1.4694 1.4694 1.8391 1.8393 2.8455 2.8465 3.4036 3.4049 4.0911 4.0911 4.3164 4.3164 4.6930 4.6931 4.7618 4.7618 5.0488 5.0488 5.4736 5.4736 6.7337 6.7339 7.6085 7.6085 7.9530 7.9531 8.7104 8.7104 8.9569 8.9569 10.7193 10.7196 11.0003 11.0004 12.0165 12.0165 k = 0.4018-1.6303-0.9505 ( 4039 PWs) bands (ev): -6.7991 -6.7987 -6.4743 -6.4739 -4.2550 -4.2550 -1.7000 -1.6999 -0.7601 -0.7600 0.1223 0.1223 1.4429 1.4430 1.7974 1.7975 2.8430 2.8440 3.3895 3.3907 4.0895 4.0895 4.2983 4.2983 4.6789 4.6790 4.7252 4.7253 5.0354 5.0354 5.4386 5.4387 6.7271 6.7272 7.5914 7.5914 7.9191 7.9192 8.6975 8.6975 8.9029 8.9029 10.6794 10.6796 10.9970 10.9970 11.9789 11.9789 k = 0.4107-1.6665-0.9716 ( 4036 PWs) bands (ev): -6.7754 -6.7750 -6.4506 -6.4503 -4.1933 -4.1932 -1.6401 -1.6401 -0.7476 -0.7475 0.0212 0.0212 1.4175 1.4175 1.7591 1.7592 2.8386 2.8396 3.3746 3.3757 4.0903 4.0903 4.2816 4.2816 4.6660 4.6661 4.6965 4.6966 5.0231 5.0231 5.4040 5.4040 6.7214 6.7216 7.5757 7.5757 7.8859 7.8860 8.6856 8.6856 8.8538 8.8538 10.6431 10.6433 10.9935 10.9935 11.9444 11.9444 k = 0.4196-1.7027-0.9927 ( 4031 PWs) bands (ev): -6.7535 -6.7532 -6.4287 -6.4284 -4.1343 -4.1342 -1.5826 -1.5825 -0.7390 -0.7389 -0.0729 -0.0729 1.3936 1.3936 1.7243 1.7243 2.8325 2.8334 3.3593 3.3604 4.0928 4.0929 4.2663 4.2663 4.6543 4.6544 4.6755 4.6755 5.0119 5.0119 5.3699 5.3699 6.7167 6.7168 7.5615 7.5615 7.8538 7.8539 8.6747 8.6747 8.8096 8.8097 10.6105 10.6106 10.9900 10.9901 11.9129 11.9129 k = 0.4286-1.7390-1.0139 ( 4038 PWs) bands (ev): -6.7336 -6.7333 -6.4088 -6.4085 -4.0787 -4.0787 -1.5279 -1.5278 -0.7342 -0.7341 -0.1594 -0.1594 1.3716 1.3717 1.6929 1.6929 2.8253 2.8262 3.3437 3.3446 4.0968 4.0968 4.2526 4.2526 4.6437 4.6439 4.6613 4.6613 5.0018 5.0018 5.3367 5.3368 6.7126 6.7127 7.5487 7.5487 7.8232 7.8233 8.6649 8.6649 8.7705 8.7705 10.5815 10.5816 10.9867 10.9867 11.8846 11.8846 k = 0.4375-1.7752-1.0350 ( 4037 PWs) bands (ev): -6.7157 -6.7155 -6.3909 -6.3906 -4.0272 -4.0272 -1.4765 -1.4765 -0.7331 -0.7330 -0.2374 -0.2374 1.3518 1.3520 1.6649 1.6650 2.8178 2.8186 3.3276 3.3284 4.1023 4.1024 4.2404 4.2404 4.6345 4.6346 4.6526 4.6526 4.9929 4.9929 5.3051 5.3052 6.7092 6.7093 7.5373 7.5373 7.7946 7.7947 8.6562 8.6562 8.7362 8.7363 10.5561 10.5562 10.9834 10.9834 11.8595 11.8595 k = 0.4464-1.8114-1.0561 ( 4040 PWs) bands (ev): -6.7000 -6.6998 -6.3751 -6.3749 -3.9805 -3.9805 -1.4293 -1.4293 -0.7352 -0.7351 -0.3062 -0.3062 1.3346 1.3347 1.6404 1.6405 2.8107 2.8114 3.3110 3.3117 4.1094 4.1094 4.2298 4.2298 4.6264 4.6265 4.6480 4.6481 4.9851 4.9851 5.2757 5.2758 6.7064 6.7064 7.5275 7.5275 7.7686 7.7687 8.6486 8.6486 8.7069 8.7069 10.5343 10.5344 10.9804 10.9804 11.8377 11.8377 k = 0.4554-1.8477-1.0772 ( 4037 PWs) bands (ev): -6.6866 -6.6864 -6.3616 -6.3615 -3.9393 -3.9393 -1.3870 -1.3869 -0.7400 -0.7399 -0.3650 -0.3650 1.3199 1.3200 1.6194 1.6195 2.8047 2.8053 3.2945 3.2951 4.1177 4.1177 4.2208 4.2208 4.6196 4.6197 4.6462 4.6463 4.9785 4.9785 5.2492 5.2493 6.7040 6.7041 7.5191 7.5191 7.7455 7.7456 8.6422 8.6422 8.6823 8.6823 10.5159 10.5160 10.9778 10.9778 11.8191 11.8192 k = 0.4643-1.8839-1.0983 ( 4031 PWs) bands (ev): -6.6754 -6.6753 -6.3505 -6.3503 -3.9044 -3.9044 -1.3504 -1.3504 -0.7465 -0.7465 -0.4135 -0.4134 1.3079 1.3080 1.6019 1.6020 2.8000 2.8005 3.2788 3.2792 4.1266 4.1266 4.2134 4.2134 4.6140 4.6141 4.6458 4.6459 4.9731 4.9731 5.2263 5.2264 6.7021 6.7022 7.5123 7.5123 7.7259 7.7260 8.6369 8.6369 8.6623 8.6623 10.5010 10.5010 10.9755 10.9755 11.8040 11.8040 k = 0.4732-1.9201-1.1195 ( 4033 PWs) bands (ev): -6.6667 -6.6666 -6.3417 -6.3416 -3.8764 -3.8764 -1.3206 -1.3205 -0.7537 -0.7536 -0.4511 -0.4511 1.2987 1.2987 1.5882 1.5882 2.7968 2.7972 3.2648 3.2652 4.1353 4.1353 4.2077 4.2077 4.6097 4.6097 4.6460 4.6461 4.9689 4.9689 5.2078 5.2079 6.7007 6.7007 7.5069 7.5069 7.7102 7.7102 8.6328 8.6328 8.6469 8.6469 10.4894 10.4895 10.9736 10.9736 11.7921 11.7921 k = 0.4821-1.9563-1.1406 ( 4031 PWs) bands (ev): -6.6604 -6.6604 -6.3354 -6.3354 -3.8559 -3.8559 -1.2984 -1.2984 -0.7601 -0.7601 -0.4780 -0.4780 1.2921 1.2921 1.5782 1.5783 2.7948 2.7950 3.2538 3.2540 4.1425 4.1425 4.2035 4.2036 4.6065 4.6066 4.6463 4.6464 4.9659 4.9659 5.1941 5.1942 6.6997 6.6997 7.5031 7.5031 7.6987 7.6987 8.6298 8.6298 8.6360 8.6360 10.4812 10.4812 10.9723 10.9723 11.7837 11.7837 k = 0.4911-1.9926-1.1617 ( 4033 PWs) bands (ev): -6.6566 -6.6566 -6.3316 -6.3316 -3.8434 -3.8434 -1.2847 -1.2847 -0.7646 -0.7646 -0.4940 -0.4940 1.2881 1.2882 1.5722 1.5722 2.7938 2.7939 3.2468 3.2469 4.1474 4.1474 4.2011 4.2011 4.6047 4.6047 4.6465 4.6466 4.9641 4.9641 5.1858 5.1858 6.6991 6.6991 7.5008 7.5008 7.6917 7.6917 8.6280 8.6280 8.6295 8.6295 10.4763 10.4763 10.9714 10.9714 11.7786 11.7786 k = 0.5000-2.0288-1.1828 ( 4032 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8392 -3.8392 -1.2800 -1.2800 -0.7662 -0.7662 -0.4993 -0.4993 1.2868 1.2868 1.5702 1.5702 2.7935 2.7935 3.2444 3.2444 4.1491 4.1491 4.2003 4.2003 4.6040 4.6040 4.6466 4.6466 4.9635 4.9635 5.1830 5.1830 6.6989 6.6989 7.5000 7.5000 7.6893 7.6893 8.6273 8.6273 8.6275 8.6275 10.4746 10.4746 10.9712 10.9712 11.7769 11.7769 k = 0.5000-2.0288-1.1828 ( 4032 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8392 -3.8392 -1.2800 -1.2800 -0.7662 -0.7662 -0.4993 -0.4993 1.2868 1.2868 1.5702 1.5702 2.7935 2.7935 3.2444 3.2444 4.1491 4.1491 4.2003 4.2003 4.6040 4.6040 4.6466 4.6466 4.9635 4.9635 5.1830 5.1830 6.6989 6.6989 7.5000 7.5000 7.6893 7.6893 8.6273 8.6273 8.6275 8.6275 10.4746 10.4746 10.9712 10.9712 11.7769 11.7769 k = 0.5000-2.0073-1.2198 ( 4036 PWs) bands (ev): -6.6551 -6.6550 -6.3301 -6.3300 -3.8385 -3.8385 -1.2792 -1.2792 -0.7655 -0.7654 -0.4984 -0.4984 1.2877 1.2879 1.5711 1.5712 2.7944 2.7944 3.2447 3.2447 4.1464 4.1475 4.1928 4.1940 4.5997 4.6005 4.6484 4.6487 4.9582 4.9585 5.1827 5.1827 6.7007 6.7007 7.4864 7.4866 7.6975 7.6976 8.6019 8.6020 8.6538 8.6540 10.4806 10.4806 10.9743 10.9744 11.7813 11.7813 k = 0.5000-1.9858-1.2567 ( 4036 PWs) bands (ev): -6.6542 -6.6539 -6.3291 -6.3289 -3.8362 -3.8362 -1.2768 -1.2768 -0.7633 -0.7632 -0.4955 -0.4955 1.2906 1.2908 1.5741 1.5743 2.7970 2.7970 3.2456 3.2457 4.1374 4.1400 4.1734 4.1764 4.5888 4.5901 4.6532 4.6537 4.9430 4.9436 5.1817 5.1818 6.7059 6.7059 7.4509 7.4511 7.7172 7.7174 8.5735 8.5736 8.6854 8.6855 10.4985 10.4985 10.9838 10.9839 11.7944 11.7944 k = 0.5000-1.9642-1.2936 ( 4044 PWs) bands (ev): -6.6526 -6.6522 -6.3275 -6.3272 -3.8325 -3.8325 -1.2728 -1.2727 -0.7596 -0.7596 -0.4907 -0.4907 1.2953 1.2957 1.5790 1.5794 2.8012 2.8013 3.2471 3.2472 4.1131 4.1167 4.1520 4.1560 4.5727 4.5745 4.6599 4.6604 4.9184 4.9193 5.1802 5.1803 6.7145 6.7145 7.4011 7.4014 7.7410 7.7412 8.5392 8.5393 8.7243 8.7244 10.5283 10.5283 10.9996 10.9997 11.8160 11.8161 k = 0.5000-1.9427-1.3305 ( 4044 PWs) bands (ev): -6.6504 -6.6499 -6.3253 -6.3249 -3.8272 -3.8272 -1.2672 -1.2671 -0.7546 -0.7545 -0.4839 -0.4839 1.3020 1.3025 1.5859 1.5864 2.8072 2.8072 3.2490 3.2491 4.0671 4.0695 4.1367 4.1398 4.5529 4.5552 4.6678 4.6684 4.8859 4.8871 5.1780 5.1781 6.7261 6.7261 7.3415 7.3418 7.7650 7.7651 8.4974 8.4975 8.7711 8.7713 10.5701 10.5701 11.0213 11.0215 11.8457 11.8458 k = 0.5000-1.9212-1.3674 ( 4036 PWs) bands (ev): -6.6475 -6.6469 -6.3224 -6.3219 -3.8205 -3.8205 -1.2600 -1.2599 -0.7483 -0.7481 -0.4751 -0.4751 1.3106 1.3112 1.5948 1.5954 2.8148 2.8149 3.2510 3.2511 4.0044 4.0060 4.1205 4.1228 4.5304 4.5332 4.6764 4.6771 4.8470 4.8485 5.1751 5.1752 6.7403 6.7403 7.2742 7.2745 7.7874 7.7876 8.4478 8.4479 8.8253 8.8254 10.6238 10.6238 11.0490 11.0492 11.8831 11.8832 k = 0.5000-1.8997-1.4043 ( 4028 PWs) bands (ev): -6.6441 -6.6434 -6.3190 -6.3183 -3.8123 -3.8123 -1.2513 -1.2511 -0.7407 -0.7405 -0.4642 -0.4642 1.3211 1.3218 1.6056 1.6064 2.8240 2.8240 3.2526 3.2527 3.9292 3.9304 4.0995 4.1014 4.5059 4.5092 4.6846 4.6855 4.8048 4.8065 5.1714 5.1715 6.7566 6.7566 7.2005 7.2008 7.8079 7.8080 8.3906 8.3908 8.8851 8.8852 10.6894 10.6895 11.0822 11.0825 11.9272 11.9274 k = 0.5000-1.8781-1.4412 ( 4028 PWs) bands (ev): -6.6400 -6.6392 -6.3149 -6.3142 -3.8027 -3.8027 -1.2410 -1.2408 -0.7320 -0.7318 -0.4513 -0.4513 1.3334 1.3343 1.6184 1.6193 2.8346 2.8347 3.2530 3.2532 3.8443 3.8452 4.0724 4.0739 4.4797 4.4833 4.6880 4.6897 4.7661 4.7676 5.1668 5.1670 6.7746 6.7746 7.1212 7.1216 7.8262 7.8263 8.3267 8.3269 8.9488 8.9489 10.7667 10.7668 11.1208 11.1212 11.9770 11.9771 k = 0.5000-1.8566-1.4782 ( 4028 PWs) bands (ev): -6.6354 -6.6345 -6.3103 -6.3094 -3.7918 -3.7918 -1.2292 -1.2289 -0.7223 -0.7221 -0.4362 -0.4362 1.3476 1.3486 1.6331 1.6341 2.8466 2.8467 3.2508 3.2510 3.7528 3.7534 4.0383 4.0395 4.4503 4.4543 4.6739 4.6769 4.7473 4.7480 5.1613 5.1615 6.7937 6.7938 7.0372 7.0376 7.8426 7.8427 8.2569 8.2571 9.0146 9.0147 10.8553 10.8554 11.1650 11.1654 12.0295 12.0297 k = 0.5000-1.8351-1.5151 ( 4026 PWs) bands (ev): -6.6303 -6.6292 -6.3051 -6.3042 -3.7795 -3.7795 -1.2159 -1.2156 -0.7117 -0.7114 -0.4188 -0.4188 1.3636 1.3647 1.6496 1.6507 2.8599 2.8600 3.2431 3.2433 3.6590 3.6594 3.9971 3.9979 4.4151 4.4190 4.6433 4.6468 4.7519 4.7523 5.1547 5.1549 6.8134 6.8135 6.9492 6.9497 7.8570 7.8571 8.1822 8.1824 9.0808 9.0809 10.9537 10.9539 11.2154 11.2158 12.0758 12.0760 k = 0.5000-1.8136-1.5520 ( 4024 PWs) bands (ev): -6.6246 -6.6235 -6.2994 -6.2984 -3.7659 -3.7659 -1.2012 -1.2008 -0.7004 -0.7001 -0.3992 -0.3992 1.3814 1.3827 1.6680 1.6692 2.8739 2.8741 3.2241 3.2245 3.5700 3.5704 3.9491 3.9496 4.3705 4.3740 4.6151 4.6184 4.7658 4.7660 5.1469 5.1471 6.8326 6.8333 6.8581 6.8590 7.8697 7.8697 8.1037 8.1040 9.1459 9.1461 11.0593 11.0594 11.2739 11.2743 12.0791 12.0792 k = 0.5000-1.7920-1.5889 ( 4030 PWs) bands (ev): -6.6185 -6.6173 -6.2933 -6.2921 -3.7512 -3.7512 -1.1851 -1.1847 -0.6885 -0.6882 -0.3772 -0.3772 1.4009 1.4023 1.6881 1.6895 2.8883 2.8884 3.1848 3.1853 3.4965 3.4971 3.8952 3.8955 4.3151 4.3178 4.5968 4.5995 4.7833 4.7836 5.1377 5.1380 6.7644 6.7646 6.8525 6.8526 7.8807 7.8808 8.0227 8.0230 9.2091 9.2093 11.1655 11.1657 11.3460 11.3464 12.0118 12.0119 k = 0.5000-1.7705-1.6258 ( 4030 PWs) bands (ev): -6.6120 -6.6106 -6.2867 -6.2855 -3.7352 -3.7352 -1.1676 -1.1671 -0.6763 -0.6759 -0.3528 -0.3528 1.4222 1.4237 1.7100 1.7114 2.9011 2.9014 3.1181 3.1189 3.4480 3.4488 3.8366 3.8371 4.2499 4.2518 4.5884 4.5905 4.8033 4.8035 5.1271 5.1274 6.6691 6.6695 6.8703 6.8703 7.8901 7.8902 7.9406 7.9409 9.2697 9.2698 11.2616 11.2617 11.4412 11.4416 11.9159 11.9160 k = 0.5000-1.7490-1.6627 ( 4028 PWs) bands (ev): -6.6051 -6.6036 -6.2798 -6.2785 -3.7182 -3.7182 -1.1488 -1.1483 -0.6638 -0.6634 -0.3259 -0.3259 1.4450 1.4466 1.7334 1.7349 2.9050 2.9056 3.0344 3.0357 3.4218 3.4228 3.7750 3.7758 4.1776 4.1789 4.5880 4.5896 4.8250 4.8253 5.1149 5.1152 6.5730 6.5734 6.8857 6.8858 7.8584 7.8588 7.8985 7.8987 9.3273 9.3274 11.3413 11.3414 11.5641 11.5644 11.8105 11.8107 k = 0.5000-1.7275-1.6997 ( 4028 PWs) bands (ev): -6.5978 -6.5963 -6.2725 -6.2711 -3.7002 -3.7002 -1.1287 -1.1282 -0.6513 -0.6508 -0.2965 -0.2965 1.4694 1.4711 1.7582 1.7598 2.8616 2.8622 2.9821 2.9835 3.4080 3.4093 3.7124 3.7138 4.1007 4.1014 4.5936 4.5948 4.8484 4.8486 5.1010 5.1013 6.4768 6.4772 6.8976 6.8978 7.7788 7.7792 7.9051 7.9052 9.3818 9.3820 11.4094 11.4095 11.6968 11.7002 11.7093 11.7126 k = 0.5000-1.7060-1.7366 ( 4034 PWs) bands (ev): -6.5903 -6.5887 -6.2650 -6.2635 -3.6813 -3.6813 -1.1075 -1.1069 -0.6389 -0.6384 -0.2645 -0.2645 1.4952 1.4970 1.7841 1.7858 2.7573 2.7575 2.9822 2.9832 3.3978 3.3994 3.6521 3.6539 4.0209 4.0213 4.6035 4.6045 4.8731 4.8734 5.0852 5.0856 6.3814 6.3817 6.9044 6.9046 7.7033 7.7038 7.9103 7.9105 9.4333 9.4335 11.4708 11.4710 11.5897 11.5903 11.8664 11.8665 k = 0.5000-1.6844-1.7735 ( 4036 PWs) bands (ev): -6.5826 -6.5809 -6.2572 -6.2556 -3.6616 -3.6616 -1.0851 -1.0845 -0.6268 -0.6263 -0.2299 -0.2299 1.5223 1.5242 1.8108 1.8125 2.6359 2.6359 2.9944 2.9952 3.3841 3.3861 3.5985 3.6008 3.9397 3.9403 4.6167 4.6175 4.8989 4.8993 5.0676 5.0681 6.2874 6.2878 6.9042 6.9044 7.6347 7.6352 7.9142 7.9144 9.4821 9.4823 11.4703 11.4709 11.5370 11.5379 12.0333 12.0333 k = 0.5000-1.6629-1.8104 ( 4032 PWs) bands (ev): -6.5747 -6.5729 -6.2493 -6.2476 -3.6412 -3.6412 -1.0618 -1.0611 -0.6153 -0.6146 -0.1928 -0.1927 1.5505 1.5525 1.8375 1.8392 2.5107 2.5108 3.0072 3.0082 3.3603 3.3626 3.5578 3.5605 3.8589 3.8598 4.6324 4.6330 4.9252 4.9258 5.0484 5.0491 6.1958 6.1961 6.8948 6.8950 7.5757 7.5761 7.9167 7.9169 9.5284 9.5287 11.3608 11.3610 11.5923 11.5927 12.2063 12.2063 k = 0.5000-1.6414-1.8473 ( 4036 PWs) bands (ev): -6.5667 -6.5648 -6.2413 -6.2395 -3.6203 -3.6203 -1.0375 -1.0368 -0.6044 -0.6037 -0.1530 -0.1530 1.5793 1.5814 1.8625 1.8642 2.3873 2.3875 3.0169 3.0180 3.3241 3.3265 3.5328 3.5355 3.7803 3.7815 4.6499 4.6505 4.9505 4.9515 5.0290 5.0301 6.1071 6.1074 6.8742 6.8744 7.5287 7.5292 7.9177 7.9179 9.5726 9.5729 11.2495 11.2498 11.6484 11.6488 12.3830 12.3830 k = 0.5000-1.6199-1.8842 ( 4028 PWs) bands (ev): -6.5587 -6.5568 -6.2332 -6.2314 -3.5990 -3.5990 -1.0123 -1.0115 -0.5944 -0.5936 -0.1106 -0.1106 1.6081 1.6102 1.8822 1.8837 2.2715 2.2720 3.0192 3.0206 3.2811 3.2836 3.5186 3.5213 3.7070 3.7085 4.6687 4.6691 4.9673 4.9689 5.0168 5.0185 6.0221 6.0224 6.8415 6.8418 7.4953 7.4957 7.9172 7.9174 9.6149 9.6153 11.1398 11.1401 11.7033 11.7037 12.5611 12.5611 k = 0.5000-1.5983-1.9212 ( 4038 PWs) bands (ev): -6.5508 -6.5487 -6.2252 -6.2233 -3.5776 -3.5776 -0.9864 -0.9856 -0.5854 -0.5846 -0.0657 -0.0657 1.6354 1.6373 1.8870 1.8880 2.1752 2.1764 3.0088 3.0105 3.2407 3.2432 3.5054 3.5080 3.6451 3.6467 4.6881 4.6885 4.9587 4.9598 5.0299 5.0311 5.9413 5.9417 6.7976 6.7979 7.4752 7.4757 7.9152 7.9154 9.6558 9.6561 11.0324 11.0327 11.7566 11.7570 12.7379 12.7380 k = 0.5000-1.5768-1.9581 ( 4036 PWs) bands (ev): -6.5429 -6.5408 -6.2174 -6.2154 -3.5561 -3.5561 -0.9599 -0.9590 -0.5777 -0.5768 -0.0182 -0.0182 1.6561 1.6578 1.8608 1.8619 2.1199 2.1220 2.9811 2.9832 3.2091 3.2116 3.4815 3.4838 3.6053 3.6065 4.7077 4.7080 4.9351 4.9357 5.0569 5.0577 5.8655 5.8658 6.7448 6.7450 7.4669 7.4673 7.9115 7.9117 9.6954 9.6958 10.9278 10.9282 11.8080 11.8084 12.9099 12.9102 k = 0.5000-1.5553-1.9950 ( 4044 PWs) bands (ev): -6.5353 -6.5331 -6.2097 -6.2077 -3.5348 -3.5348 -0.9329 -0.9319 -0.5714 -0.5705 0.0318 0.0318 1.6525 1.6535 1.8154 1.8177 2.1119 2.1146 2.9374 2.9397 3.1838 3.1863 3.4458 3.4477 3.5901 3.5909 4.7265 4.7268 4.9074 4.9078 5.0872 5.0877 5.7950 5.7953 6.6859 6.6862 7.4678 7.4682 7.9061 7.9063 9.7341 9.7345 10.8268 10.8272 11.8572 11.8577 13.0606 13.0616 k = 0.5000-1.5338-2.0319 ( 4038 PWs) bands (ev): -6.5279 -6.5257 -6.2023 -6.2002 -3.5139 -3.5139 -0.9056 -0.9045 -0.5667 -0.5657 0.0843 0.0843 1.5943 1.5947 1.8024 1.8056 2.1307 2.1336 2.8835 2.8859 3.1556 3.1581 3.4128 3.4145 3.5887 3.5894 4.7436 4.7439 4.8789 4.8791 5.1184 5.1187 5.7304 5.7307 6.6242 6.6244 7.4756 7.4760 7.8990 7.8992 9.7721 9.7726 10.7296 10.7301 11.9040 11.9045 13.1223 13.1227 k = 0.5000-1.5122-2.0688 ( 4042 PWs) bands (ev): -6.5210 -6.5187 -6.1953 -6.1932 -3.4937 -3.4937 -0.8781 -0.8769 -0.5639 -0.5627 0.1392 0.1392 1.4982 1.4984 1.8202 1.8235 2.1609 2.1639 2.8250 2.8275 3.1174 3.1198 3.3928 3.3943 3.5926 3.5935 4.7574 4.7577 4.8516 4.8517 5.1497 5.1499 5.6720 5.6723 6.5622 6.5624 7.4884 7.4887 7.8900 7.8903 9.8096 9.8103 10.6368 10.6374 11.9481 11.9486 13.1474 13.1475 k = 0.5000-1.4907-2.1057 ( 4044 PWs) bands (ev): -6.5144 -6.5121 -6.1887 -6.1865 -3.4745 -3.4745 -0.8507 -0.8493 -0.5630 -0.5617 0.1964 0.1965 1.3910 1.3911 1.8479 1.8512 2.1964 2.1995 2.7658 2.7683 3.0694 3.0717 3.3861 3.3874 3.5986 3.5995 4.7645 4.7649 4.8290 4.8291 5.1805 5.1806 5.6205 5.6207 6.5021 6.5024 7.5047 7.5050 7.8792 7.8795 9.8469 9.8477 10.5487 10.5494 11.9892 11.9897 13.1538 13.1539 k = 0.5000-1.4692-2.1427 ( 4042 PWs) bands (ev): -6.5084 -6.5060 -6.1827 -6.1805 -3.4565 -3.4565 -0.8235 -0.8219 -0.5643 -0.5628 0.2561 0.2561 1.2821 1.2822 1.8781 1.8814 2.2345 2.2377 2.7082 2.7108 3.0159 3.0181 3.3882 3.3895 3.6050 3.6061 4.7599 4.7604 4.8164 4.8165 5.2102 5.2103 5.5762 5.5764 6.4459 6.4462 7.5232 7.5235 7.8666 7.8669 9.8841 9.8850 10.4656 10.4664 12.0270 12.0276 13.1448 13.1449 k = 0.5000-1.4477-2.1796 ( 4040 PWs) bands (ev): -6.5030 -6.5006 -6.1772 -6.1750 -3.4401 -3.4400 -0.7969 -0.7951 -0.5678 -0.5660 0.3180 0.3180 1.1751 1.1752 1.9078 1.9112 2.2737 2.2769 2.6542 2.6567 2.9614 2.9635 3.3949 3.3962 3.6112 3.6123 4.7453 4.7457 4.8121 4.8121 5.2384 5.2384 5.5398 5.5400 6.3953 6.3955 7.5433 7.5436 7.8520 7.8523 9.9212 9.9223 10.3879 10.3890 12.0613 12.0619 13.1247 13.1249 k = 0.5000-1.4262-2.2165 ( 4042 PWs) bands (ev): -6.4983 -6.4959 -6.1725 -6.1703 -3.4255 -3.4255 -0.7713 -0.7691 -0.5735 -0.5714 0.3821 0.3822 1.0717 1.0718 1.9352 1.9386 2.3128 2.3160 2.6054 2.6078 2.9095 2.9115 3.4033 3.4046 3.6166 3.6178 4.7287 4.7290 4.8077 4.8078 5.2644 5.2645 5.5118 5.5120 6.3514 6.3517 7.5643 7.5646 7.8356 7.8359 9.9581 9.9596 10.3162 10.3176 12.0919 12.0926 13.0979 13.0981 k = 0.5000-1.4046-2.2534 ( 4046 PWs) bands (ev): -6.4945 -6.4920 -6.1686 -6.1663 -3.4133 -3.4133 -0.7471 -0.7445 -0.5813 -0.5787 0.4484 0.4485 0.9731 0.9731 1.9584 1.9617 2.3505 2.3536 2.5631 2.5653 2.8634 2.8652 3.4116 3.4129 3.6209 3.6222 4.7146 4.7149 4.7989 4.7989 5.2876 5.2878 5.4926 5.4928 6.3157 6.3159 7.5856 7.5859 7.8174 7.8178 9.9944 9.9965 10.2511 10.2532 12.1188 12.1195 13.0681 13.0683 k = 0.5000-1.3831-2.2903 ( 4046 PWs) bands (ev): -6.4915 -6.4890 -6.1656 -6.1633 -3.4037 -3.4037 -0.7256 -0.7224 -0.5905 -0.5873 0.5168 0.5169 0.8800 0.8801 1.9754 1.9787 2.3853 2.3883 2.5285 2.5304 2.8263 2.8278 3.4188 3.4201 3.6241 3.6255 4.7047 4.7050 4.7843 4.7843 5.3077 5.3081 5.4820 5.4824 6.2891 6.2893 7.6069 7.6073 7.7975 7.7980 10.0279 10.0311 10.1948 10.1980 12.1417 12.1424 13.0380 13.0382 k = 0.5000-1.3616-2.3272 ( 4044 PWs) bands (ev): -6.4894 -6.4869 -6.1636 -6.1613 -3.3971 -3.3971 -0.7085 -0.7045 -0.5996 -0.5956 0.5871 0.5872 0.7933 0.7933 1.9845 1.9877 2.4152 2.4182 2.5022 2.5037 2.8018 2.8030 3.4242 3.4256 3.6261 3.6276 4.6985 4.6987 4.7649 4.7650 5.3246 5.3250 5.4796 5.4801 6.2721 6.2723 7.6277 7.6282 7.7763 7.7770 10.0503 10.0555 10.1556 10.1608 12.1608 12.1615 13.0094 13.0096 k = 0.5000-1.3401-2.3642 ( 4034 PWs) bands (ev): -6.4885 -6.4860 -6.1626 -6.1603 -3.3939 -3.3939 -0.6994 -0.6948 -0.6049 -0.6004 0.6592 0.6595 0.7134 0.7136 1.9846 1.9877 2.4347 2.4377 2.4878 2.4894 2.7931 2.7942 3.4275 3.4289 3.6271 3.6287 4.6913 4.6914 4.7462 4.7465 5.3381 5.3386 5.4844 5.4849 6.2652 6.2655 7.6472 7.6479 7.7545 7.7554 10.0427 10.0475 10.1560 10.1608 12.1761 12.1769 12.9836 12.9837 k = 0.5000-1.3185-2.4011 ( 4040 PWs) bands (ev): -6.4886 -6.4861 -6.1628 -6.1605 -3.3945 -3.3944 -0.7023 -0.6980 -0.6023 -0.5980 0.6406 0.6408 0.7338 0.7339 1.9761 1.9792 2.4302 2.4329 2.4983 2.4998 2.8010 2.8024 3.4285 3.4299 3.6274 3.6290 4.6717 4.6717 4.7409 4.7412 5.3485 5.3491 5.4951 5.4956 6.2683 6.2685 7.6631 7.6644 7.7342 7.7356 10.0126 10.0157 10.1872 10.1904 12.1878 12.1886 12.9613 12.9615 k = 0.8300-1.2785-2.3303 ( 4040 PWs) bands (ev): -6.4886 -6.4861 -6.1628 -6.1605 -3.3945 -3.3944 -0.7023 -0.6980 -0.6023 -0.5980 0.6406 0.6408 0.7338 0.7339 1.9761 1.9792 2.4302 2.4329 2.4983 2.4998 2.8010 2.8024 3.4285 3.4299 3.6274 3.6290 4.6717 4.6717 4.7409 4.7412 5.3485 5.3491 5.4951 5.4956 6.2683 6.2685 7.6631 7.6644 7.7342 7.7356 10.0126 10.0157 10.1872 10.1904 12.1878 12.1886 12.9613 12.9615 k = 0.8249-1.2575-2.2933 ( 4042 PWs) bands (ev): -6.4900 -6.4875 -6.1642 -6.1619 -3.3991 -3.3991 -0.7171 -0.7137 -0.5922 -0.5888 0.5760 0.5761 0.8096 0.8097 1.9607 1.9636 2.4098 2.4122 2.5258 2.5276 2.8236 2.8254 3.4272 3.4285 3.6273 3.6289 4.6378 4.6379 4.7516 4.7520 5.3562 5.3567 5.5106 5.5111 6.2809 6.2811 7.6682 7.6700 7.7232 7.7250 9.9796 9.9818 10.2280 10.2302 12.1961 12.1969 12.9432 12.9434 k = 0.8197-1.2366-2.2564 ( 4046 PWs) bands (ev): -6.4927 -6.4902 -6.1669 -6.1646 -3.4082 -3.4082 -0.7407 -0.7380 -0.5787 -0.5761 0.5197 0.5198 0.8870 0.8871 1.9404 1.9433 2.3850 2.3874 2.5607 2.5628 2.8574 2.8595 3.4237 3.4250 3.6270 3.6286 4.5970 4.5970 4.7722 4.7726 5.3617 5.3621 5.5298 5.5302 6.3023 6.3025 7.6548 7.6562 7.7302 7.7317 9.9498 9.9515 10.2727 10.2743 12.2014 12.2021 12.9295 12.9297 k = 0.8146-1.2157-2.2194 ( 4044 PWs) bands (ev): -6.4967 -6.4943 -6.1709 -6.1686 -3.4219 -3.4219 -0.7703 -0.7682 -0.5649 -0.5629 0.4721 0.4721 0.9657 0.9658 1.9177 1.9205 2.3595 2.3618 2.6007 2.6032 2.8987 2.9011 3.4185 3.4197 3.6269 3.6283 4.5529 4.5530 4.7997 4.8001 5.3655 5.3659 5.5517 5.5520 6.3316 6.3318 7.6314 7.6324 7.7463 7.7473 9.9248 9.9262 10.3197 10.3211 12.2039 12.2046 12.9206 12.9207 k = 0.8094-1.1948-2.1824 ( 4044 PWs) bands (ev): -6.5022 -6.4997 -6.1764 -6.1741 -3.4405 -3.4404 -0.8048 -0.8031 -0.5521 -0.5505 0.4334 0.4335 1.0454 1.0455 1.8944 1.8970 2.3350 2.3372 2.6450 2.6477 2.9449 2.9476 3.4120 3.4132 3.6267 3.6280 4.5080 4.5080 4.8326 4.8330 5.3684 5.3687 5.5753 5.5755 6.3678 6.3680 7.6049 7.6056 7.7648 7.7655 9.9049 9.9062 10.3688 10.3699 12.2040 12.2048 12.9163 12.9165 k = 0.8043-1.1738-2.1455 ( 4044 PWs) bands (ev): -6.5091 -6.5067 -6.1833 -6.1811 -3.4640 -3.4640 -0.8434 -0.8420 -0.5412 -0.5399 0.4039 0.4040 1.1257 1.1257 1.8722 1.8747 2.3127 2.3149 2.6927 2.6956 2.9939 2.9968 3.4049 3.4061 3.6260 3.6273 4.4640 4.4640 4.8700 4.8704 5.3707 5.3710 5.6000 5.6002 6.4100 6.4102 7.5774 7.5781 7.7840 7.7847 9.8905 9.8915 10.4195 10.4206 12.2022 12.2029 12.9166 12.9168 k = 0.7991-1.1529-2.1085 ( 4044 PWs) bands (ev): -6.5175 -6.5152 -6.1918 -6.1896 -3.4925 -3.4924 -0.8856 -0.8845 -0.5324 -0.5314 0.3838 0.3838 1.2058 1.2059 1.8525 1.8549 2.2933 2.2954 2.7431 2.7462 3.0441 3.0471 3.3985 3.3997 3.6243 3.6254 4.4228 4.4229 4.9110 4.9114 5.3731 5.3733 5.6252 5.6253 6.4574 6.4576 7.5501 7.5507 7.8037 7.8043 9.8814 9.8823 10.4718 10.4727 12.1987 12.1995 12.9214 12.9216 k = 0.7939-1.1320-2.0715 ( 4044 PWs) bands (ev): -6.5275 -6.5252 -6.2019 -6.1997 -3.5259 -3.5259 -0.9313 -0.9303 -0.5262 -0.5253 0.3729 0.3730 1.2849 1.2850 1.8371 1.8393 2.2773 2.2792 2.7957 2.7989 3.0937 3.0969 3.3940 3.3953 3.6204 3.6216 4.3866 4.3867 4.9547 4.9551 5.3757 5.3759 5.6504 5.6505 6.5092 6.5094 7.5236 7.5242 7.8237 7.8242 9.8775 9.8784 10.5253 10.5261 12.1942 12.1949 12.9304 12.9306 k = 0.7888-1.1111-2.0346 ( 4042 PWs) bands (ev): -6.5391 -6.5368 -6.2135 -6.2114 -3.5641 -3.5641 -0.9800 -0.9792 -0.5228 -0.5220 0.3712 0.3713 1.3613 1.3614 1.8279 1.8300 2.2648 2.2666 2.8500 2.8533 3.1407 3.1441 3.3932 3.3947 3.6137 3.6148 4.3571 4.3573 5.0003 5.0007 5.3788 5.3790 5.6752 5.6753 6.5648 6.5650 7.4986 7.4991 7.8442 7.8446 9.8787 9.8796 10.5797 10.5805 12.1889 12.1896 12.9432 12.9435 k = 0.7836-1.0901-1.9976 ( 4040 PWs) bands (ev): -6.5523 -6.5501 -6.2268 -6.2247 -3.6070 -3.6070 -1.0317 -1.0310 -0.5222 -0.5215 0.3786 0.3786 1.4322 1.4324 1.8279 1.8297 2.2561 2.2578 2.9053 2.9088 3.1828 3.1863 3.3979 3.3995 3.6039 3.6051 4.3364 4.3366 5.0468 5.0473 5.3826 5.3828 5.6996 5.6998 6.6236 6.6238 7.4756 7.4762 7.8652 7.8656 9.8850 9.8857 10.6347 10.6355 12.1835 12.1842 12.9595 12.9598 k = 0.7785-1.0692-1.9606 ( 4030 PWs) bands (ev): -6.5671 -6.5649 -6.2416 -6.2396 -3.6542 -3.6541 -1.0860 -1.0854 -0.5245 -0.5239 0.3947 0.3948 1.4939 1.4941 1.8410 1.8426 2.2511 2.2527 2.9610 2.9647 3.2177 3.2211 3.4082 3.4099 3.5930 3.5943 4.3256 4.3259 5.0933 5.0938 5.3871 5.3873 5.7236 5.7238 6.6853 6.6855 7.4553 7.4558 7.8868 7.8872 9.8960 9.8967 10.6898 10.6906 12.1785 12.1792 12.9784 12.9788 k = 0.7733-1.0483-1.9237 ( 4030 PWs) bands (ev): -6.5835 -6.5814 -6.2581 -6.2562 -3.7054 -3.7053 -1.1428 -1.1423 -0.5298 -0.5293 0.4192 0.4193 1.5419 1.5423 1.8715 1.8729 2.2498 2.2513 3.0161 3.0200 3.2453 3.2485 3.4192 3.4205 3.5872 3.5886 4.3255 4.3257 5.1386 5.1392 5.3924 5.3927 5.7475 5.7477 6.7494 6.7496 7.4381 7.4387 7.9093 7.9096 9.9116 9.9123 10.7444 10.7452 12.1746 12.1753 12.9992 12.9996 k = 0.7682-1.0274-1.8867 ( 4030 PWs) bands (ev): -6.6016 -6.5995 -6.2763 -6.2744 -3.7603 -3.7602 -1.2018 -1.2013 -0.5380 -0.5375 0.4518 0.4519 1.5751 1.5756 1.9205 1.9217 2.2521 2.2535 3.0687 3.0728 3.2687 3.2715 3.4194 3.4197 3.5974 3.5986 4.3357 4.3359 5.1815 5.1821 5.3986 5.3990 5.7719 5.7722 6.8157 6.8159 7.4246 7.4251 7.9326 7.9329 9.9317 9.9323 10.7978 10.7985 12.1725 12.1732 13.0205 13.0209 k = 0.7630-1.0065-1.8498 ( 4036 PWs) bands (ev): -6.6212 -6.6192 -6.2960 -6.2941 -3.8184 -3.8184 -1.2628 -1.2624 -0.5491 -0.5487 0.4920 0.4921 1.5963 1.5969 1.9848 1.9858 2.2581 2.2594 3.1161 3.1203 3.2930 3.2949 3.4020 3.4032 3.6283 3.6295 4.3553 4.3556 5.2206 5.2213 5.4057 5.4062 5.7976 5.7979 6.8838 6.8840 7.4150 7.4155 7.9569 7.9572 9.9559 9.9566 10.8489 10.8497 12.1733 12.1740 13.0401 13.0405 k = 0.7578-0.9855-1.8128 ( 4032 PWs) bands (ev): -6.6424 -6.6405 -6.3172 -6.3155 -3.8795 -3.8795 -1.3256 -1.3252 -0.5630 -0.5627 0.5395 0.5395 1.6105 1.6110 2.0590 2.0599 2.2675 2.2688 3.1543 3.1586 3.3196 3.3197 3.3773 3.3808 3.6739 3.6753 4.3832 4.3835 5.2546 5.2553 5.4138 5.4144 5.8257 5.8260 6.9535 6.9537 7.4097 7.4103 7.9822 7.9825 9.9843 9.9849 10.8970 10.8978 12.1779 12.1786 13.0549 13.0554 k = 0.7527-0.9646-1.7758 ( 4036 PWs) bands (ev): -6.6651 -6.6632 -6.3400 -6.3383 -3.9432 -3.9431 -1.3899 -1.3896 -0.5797 -0.5794 0.5937 0.5938 1.6213 1.6219 2.1383 2.1393 2.2805 2.2818 3.1794 3.1838 3.3202 3.3216 3.3853 3.3894 3.7278 3.7294 4.4180 4.4183 5.2824 5.2832 5.4229 5.4235 5.8571 5.8574 7.0245 7.0247 7.4090 7.4096 8.0086 8.0089 10.0165 10.0172 10.9409 10.9416 12.1876 12.1883 13.0608 13.0613 k = 0.7475-0.9437-1.7389 ( 4032 PWs) bands (ev): -6.6892 -6.6875 -6.3642 -6.3626 -4.0089 -4.0089 -1.4556 -1.4553 -0.5991 -0.5988 0.6544 0.6544 1.6313 1.6318 2.2187 2.2199 2.2975 2.2990 3.1875 3.1921 3.3001 3.3024 3.4324 3.4350 3.7864 3.7880 4.4585 4.4588 5.3034 5.3042 5.4330 5.4337 5.8929 5.8932 7.0966 7.0969 7.4128 7.4134 8.0362 8.0364 10.0525 10.0531 10.9794 10.9802 12.2034 12.2041 13.0537 13.0542 k = 0.7424-0.9228-1.7019 ( 4032 PWs) bands (ev): -6.7148 -6.7131 -6.3899 -6.3883 -4.0764 -4.0764 -1.5224 -1.5221 -0.6210 -0.6208 0.7210 0.7211 1.6416 1.6420 2.2920 2.2940 2.3232 2.3254 3.1758 3.1799 3.2936 3.2962 3.4901 3.4921 3.8475 3.8493 4.5033 4.5035 5.3173 5.3181 5.4442 5.4448 5.9334 5.9337 7.1696 7.1700 7.4212 7.4220 8.0647 8.0649 10.0919 10.0926 11.0117 11.0124 12.2266 12.2273 13.0325 13.0329 k = 0.7372-0.9018-1.6649 ( 4030 PWs) bands (ev): -6.7417 -6.7401 -6.4169 -6.4154 -4.1454 -4.1453 -1.5901 -1.5899 -0.6454 -0.6452 0.7933 0.7934 1.6527 1.6530 2.3318 2.3322 2.3837 2.3843 3.1530 3.1561 3.3020 3.3040 3.5526 3.5545 3.9103 3.9121 4.5513 4.5516 5.3245 5.3252 5.4569 5.4574 5.9787 5.9790 7.2432 7.2438 7.4342 7.4351 8.0942 8.0944 10.1348 10.1354 11.0368 11.0376 12.2578 12.2585 12.9999 13.0003 k = 0.7321-0.8809-1.6280 ( 4034 PWs) bands (ev): -6.7699 -6.7684 -6.4451 -6.4437 -4.2154 -4.2153 -1.6586 -1.6584 -0.6722 -0.6720 0.8708 0.8709 1.6648 1.6650 2.3590 2.3592 2.4504 2.4504 3.1327 3.1350 3.3174 3.3189 3.6179 3.6198 3.9740 3.9759 4.6015 4.6017 5.3255 5.3262 5.4716 5.4720 6.0283 6.0287 7.3171 7.3181 7.4516 7.4528 8.1247 8.1248 10.1808 10.1814 11.0543 11.0552 12.2978 12.2985 12.9602 12.9606 k = 0.7269-0.8600-1.5910 ( 4034 PWs) bands (ev): -6.7993 -6.7978 -6.4746 -6.4732 -4.2862 -4.2862 -1.7275 -1.7273 -0.7012 -0.7010 0.9533 0.9534 1.6776 1.6778 2.3870 2.3876 2.5055 2.5058 3.1251 3.1268 3.3360 3.3372 3.6848 3.6868 4.0381 4.0401 4.6526 4.6529 5.3218 5.3223 5.4889 5.4893 6.0818 6.0821 7.3906 7.3923 7.4735 7.4755 8.1558 8.1559 10.2297 10.2304 11.0643 11.0652 12.3466 12.3472 12.9170 12.9174 k = 0.7217-0.8391-1.5540 ( 4046 PWs) bands (ev): -6.8298 -6.8284 -6.5051 -6.5038 -4.3575 -4.3575 -1.7969 -1.7967 -0.7323 -0.7321 1.0403 1.0404 1.6906 1.6907 2.4166 2.4176 2.5445 2.5451 3.1373 3.1386 3.3564 3.3573 3.7526 3.7548 4.1025 4.1046 4.7033 4.7036 5.3148 5.3153 5.5094 5.5096 6.1383 6.1386 7.4606 7.4644 7.5016 7.5056 8.1876 8.1877 10.2815 10.2822 11.0671 11.0680 12.4038 12.4044 12.8728 12.8731 k = 0.7166-0.8181-1.5171 ( 4038 PWs) bands (ev): -6.8613 -6.8600 -6.5366 -6.5354 -4.4290 -4.4290 -1.8663 -1.8662 -0.7652 -0.7651 1.1316 1.1317 1.7031 1.7032 2.4463 2.4479 2.5672 2.5683 3.1723 3.1732 3.3776 3.3783 3.8210 3.8233 4.1668 4.1689 4.7520 4.7523 5.3069 5.3074 5.5335 5.5336 6.1972 6.1975 7.5141 7.5185 7.5513 7.5559 8.2197 8.2198 10.3360 10.3367 11.0634 11.0644 12.4687 12.4694 12.8292 12.8295 k = 0.7114-0.7972-1.4801 ( 4046 PWs) bands (ev): -6.8937 -6.8925 -6.5691 -6.5679 -4.5006 -4.5005 -1.9358 -1.9357 -0.7999 -0.7998 1.2269 1.2270 1.7140 1.7141 2.4725 2.4749 2.5809 2.5827 3.2280 3.2286 3.3991 3.3996 3.8895 3.8919 4.2308 4.2330 4.7966 4.7969 5.3008 5.3012 5.5615 5.5616 6.2579 6.2582 7.5517 7.5542 7.6227 7.6253 8.2521 8.2522 10.3928 10.3935 11.0541 11.0551 12.5405 12.5410 12.7874 12.7877 k = 0.7063-0.7763-1.4432 ( 4046 PWs) bands (ev): -6.9270 -6.9258 -6.6023 -6.6012 -4.5719 -4.5719 -2.0051 -2.0050 -0.8362 -0.8361 1.3258 1.3260 1.7221 1.7221 2.4889 2.4917 2.5987 2.6010 3.2995 3.2998 3.4204 3.4207 3.9579 3.9604 4.2945 4.2967 4.8345 4.8348 5.2995 5.2999 5.5937 5.5938 6.3200 6.3203 7.5883 7.5900 7.6965 7.6983 8.2845 8.2845 10.4517 10.4526 11.0402 11.0413 12.6175 12.6180 12.7485 12.7490 k = 0.7011-0.7554-1.4062 ( 4052 PWs) bands (ev): -6.9610 -6.9599 -6.6362 -6.6352 -4.6428 -4.6428 -2.0741 -2.0740 -0.8739 -0.8737 1.4281 1.4284 1.7259 1.7260 2.4931 2.4959 2.6295 2.6318 3.3812 3.3816 3.4411 3.4416 4.0260 4.0286 4.3576 4.3598 4.8631 4.8633 5.3063 5.3067 5.6304 5.6305 6.3831 6.3835 7.6267 7.6280 7.7702 7.7717 8.3168 8.3168 10.5124 10.5134 11.0227 11.0239 12.6913 12.6925 12.7193 12.7212 k = 0.6960-0.7344-1.3692 ( 4054 PWs) bands (ev): -6.9956 -6.9945 -6.6708 -6.6698 -4.7132 -4.7131 -2.1426 -2.1425 -0.9128 -0.9126 1.5332 1.5336 1.7241 1.7244 2.4919 2.4943 2.6715 2.6734 3.4548 3.4584 3.4728 3.4764 4.0934 4.0961 4.4198 4.4220 4.8806 4.8806 5.3235 5.3239 5.6719 5.6720 6.4472 6.4475 7.6672 7.6684 7.8433 7.8446 8.3487 8.3487 10.5746 10.5757 11.0026 11.0039 12.6766 12.6769 12.7869 12.7880 k = 0.6908-0.7135-1.3323 ( 4054 PWs) bands (ev): -7.0307 -7.0297 -6.7058 -6.7048 -4.7827 -4.7827 -2.2106 -2.2105 -0.9527 -0.9526 1.6392 1.6404 1.7166 1.7177 2.4925 2.4946 2.7206 2.7222 3.4765 3.4777 3.5649 3.5660 4.1602 4.1629 4.4810 4.4831 4.8869 4.8870 5.3516 5.3519 5.7182 5.7183 6.5121 6.5124 7.7099 7.7110 7.9153 7.9164 8.3801 8.3802 10.6375 10.6389 10.9811 10.9826 12.6489 12.6490 12.8713 12.8723 k = 0.6856-0.6926-1.2953 ( 4062 PWs) bands (ev): -7.0663 -7.0653 -6.7412 -6.7403 -4.8515 -4.8514 -2.2778 -2.2777 -0.9934 -0.9933 1.6921 1.6938 1.7575 1.7591 2.4990 2.5008 2.7746 2.7760 3.4934 3.4943 3.6608 3.6616 4.2262 4.2289 4.5405 4.5424 4.8843 4.8848 5.3891 5.3893 5.7695 5.7696 6.5777 6.5780 7.7545 7.7555 7.9858 7.9868 8.4110 8.4111 10.7002 10.7020 10.9596 10.9615 12.6250 12.6251 12.9536 12.9545 k = 0.6805-0.6717-1.2583 ( 4070 PWs) bands (ev): -7.1021 -7.1012 -6.7769 -6.7760 -4.9191 -4.9191 -2.3442 -2.3441 -1.0349 -1.0348 1.6711 1.6718 1.8684 1.8691 2.5130 2.5147 2.8324 2.8336 3.5086 3.5093 3.7580 3.7587 4.2912 4.2939 4.5973 4.5989 4.8766 4.8776 5.4333 5.4335 5.8257 5.8258 6.6443 6.6446 7.8009 7.8019 8.0544 8.0553 8.4413 8.4414 10.7601 10.7625 10.9407 10.9432 12.6058 12.6059 13.0282 13.0291 k = 0.6753-0.6507-1.2214 ( 4072 PWs) bands (ev): -7.1382 -7.1373 -6.8127 -6.8119 -4.9857 -4.9856 -2.4096 -2.4095 -1.0768 -1.0767 1.6406 1.6410 1.9831 1.9835 2.5349 2.5363 2.8933 2.8944 3.5226 3.5233 3.8554 3.8560 4.3553 4.3578 4.6492 4.6508 4.8683 4.8703 5.4819 5.4820 5.8868 5.8869 6.7120 6.7123 7.8488 7.8498 8.1205 8.1214 8.4712 8.4714 10.8093 10.8126 10.9326 10.9361 12.5914 12.5916 13.0874 13.0883 k = 0.6702-0.6298-1.1844 ( 4068 PWs) bands (ev): -7.1743 -7.1735 -6.8487 -6.8479 -5.0510 -5.0510 -2.4740 -2.4739 -1.1191 -1.1190 1.6038 1.6041 2.0993 2.0997 2.5639 2.5652 2.9568 2.9579 3.5359 3.5365 3.9523 3.9528 4.4182 4.4205 4.6915 4.6940 4.8661 4.8695 5.5326 5.5327 5.9527 5.9527 6.7810 6.7813 7.8980 7.8990 8.1834 8.1842 8.5011 8.5013 10.8300 10.8331 10.9546 10.9578 12.5823 12.5824 13.1226 13.1235 k = 0.6650-0.6089-1.1474 ( 4070 PWs) bands (ev): -7.2105 -7.2097 -6.8846 -6.8839 -5.1150 -5.1149 -2.5372 -2.5371 -1.1615 -1.1614 1.5622 1.5625 2.2164 2.2168 2.5990 2.6002 3.0224 3.0233 3.5491 3.5497 4.0476 4.0481 4.4798 4.4818 4.7179 4.7220 4.8787 4.8834 5.5839 5.5840 6.0230 6.0231 6.8515 6.8518 7.9483 7.9492 8.2421 8.2428 8.5315 8.5317 10.8228 10.8248 11.0058 11.0078 12.5783 12.5785 13.1303 13.1312 k = 0.6599-0.5880-1.1105 ( 4064 PWs) bands (ev): -7.2466 -7.2458 -6.9204 -6.9197 -5.1776 -5.1775 -2.5992 -2.5991 -1.2039 -1.2038 1.5171 1.5173 2.3337 2.3340 2.6390 2.6401 3.0893 3.0901 3.5636 3.5641 4.1407 4.1412 4.5396 4.5412 4.7279 4.7330 4.9096 4.9150 5.6346 5.6347 6.0978 6.0978 6.9238 6.9241 7.9993 8.0002 8.2954 8.2960 8.5632 8.5636 10.8054 10.8068 11.0672 11.0685 12.5794 12.5796 13.1150 13.1157 k = 0.6547-0.5670-1.0735 ( 4064 PWs) bands (ev): -7.2824 -7.2818 -6.9559 -6.9553 -5.2386 -5.2386 -2.6598 -2.6598 -1.2462 -1.2461 1.4696 1.4698 2.4499 2.4504 2.6827 2.6837 3.1567 3.1574 3.5807 3.5813 4.2304 4.2309 4.5959 4.5972 4.7304 4.7362 4.9527 4.9580 5.6838 5.6839 6.1765 6.1765 6.9982 6.9985 8.0510 8.0518 8.3420 8.3425 8.5974 8.5979 10.7852 10.7862 11.1311 11.1320 12.5852 12.5854 13.0835 13.0842 k = 0.6496-0.5461-1.0366 ( 4068 PWs) bands (ev): -7.3180 -7.3174 -6.9912 -6.9905 -5.2982 -5.2981 -2.7191 -2.7191 -1.2882 -1.2881 1.4204 1.4206 2.5638 2.5643 2.7291 2.7299 3.2237 3.2243 3.6027 3.6033 4.3154 4.3158 4.6437 4.6452 4.7384 4.7449 5.0012 5.0062 5.7308 5.7309 6.2590 6.2591 7.0749 7.0752 8.1029 8.1038 8.3807 8.3811 8.6349 8.6354 10.7646 10.7654 11.1954 11.1961 12.5951 12.5953 13.0417 13.0422 k = 0.6444-0.5252-0.9996 ( 4070 PWs) bands (ev): -7.3532 -7.3526 -7.0260 -7.0254 -5.3560 -5.3560 -2.7769 -2.7769 -1.3298 -1.3297 1.3703 1.3705 2.6729 2.6737 2.7773 2.7782 3.2896 3.2901 3.6320 3.6326 4.3940 4.3943 4.6748 4.6756 4.7671 4.7729 5.0516 5.0563 5.7751 5.7752 6.3450 6.3451 7.1539 7.1542 8.1549 8.1558 8.4111 8.4113 8.6759 8.6766 10.7444 10.7451 11.2591 11.2596 12.6079 12.6082 12.9930 12.9935 k = 0.6392-0.5043-0.9626 ( 4076 PWs) bands (ev): -7.3880 -7.3874 -7.0603 -7.0598 -5.4123 -5.4122 -2.8332 -2.8331 -1.3709 -1.3708 1.3200 1.3202 2.7729 2.7744 2.8277 2.8290 3.3545 3.3548 3.6711 3.6717 4.4634 4.4635 4.6929 4.6939 4.8162 4.8203 5.1023 5.1067 5.8164 5.8165 6.4340 6.4341 7.2354 7.2357 8.2068 8.2077 8.4334 8.4336 8.7201 8.7208 10.7250 10.7257 11.3217 11.3220 12.6221 12.6226 12.9398 12.9403 k = 0.6341-0.4833-0.9257 ( 4076 PWs) bands (ev): -7.4222 -7.4216 -7.0941 -7.0936 -5.4667 -5.4667 -2.8878 -2.8878 -1.4113 -1.4112 1.2697 1.2699 2.8523 2.8548 2.8871 2.8893 3.4200 3.4202 3.7218 3.7224 4.5202 4.5205 4.7131 4.7155 4.8738 4.8767 5.1527 5.1568 5.8544 5.8546 6.5257 6.5258 7.3193 7.3196 8.2584 8.2593 8.4486 8.4487 8.7664 8.7671 10.7066 10.7072 11.3827 11.3830 12.6356 12.6362 12.8834 12.8843 k = 0.6289-0.4624-0.8887 ( 4078 PWs) bands (ev): -7.4557 -7.4552 -7.1272 -7.1267 -5.5194 -5.5194 -2.9408 -2.9407 -1.4509 -1.4508 1.2200 1.2202 2.9064 2.9083 2.9575 2.9591 3.4898 3.4901 3.7840 3.7846 4.5628 4.5634 4.7437 4.7471 4.9349 4.9369 5.2025 5.2064 5.8892 5.8893 6.6197 6.6198 7.4054 7.4057 8.3095 8.3103 8.4578 8.4578 8.8137 8.8145 10.6892 10.6898 11.4421 11.4423 12.6457 12.6467 12.8251 12.8265 k = 0.6238-0.4415-0.8517 ( 4086 PWs) bands (ev): -7.4886 -7.4881 -7.1596 -7.1591 -5.5703 -5.5703 -2.9920 -2.9920 -1.4896 -1.4896 1.1710 1.1712 2.9510 2.9526 3.0174 3.0187 3.5680 3.5682 3.8565 3.8570 4.5946 4.5952 4.7837 4.7877 4.9975 4.9988 5.2517 5.2552 5.9205 5.9206 6.7155 6.7157 7.4936 7.4939 8.3600 8.3608 8.4618 8.4619 8.8611 8.8619 10.6727 10.6733 11.4995 11.4996 12.6491 12.6513 12.7656 12.7683 k = 0.6186-0.4206-0.8148 ( 4086 PWs) bands (ev): -7.5206 -7.5202 -7.1912 -7.1907 -5.6194 -5.6193 -3.0415 -3.0415 -1.5274 -1.5274 1.1231 1.1233 2.9907 2.9922 3.0612 3.0626 3.6562 3.6564 3.9376 3.9382 4.6217 4.6221 4.8284 4.8326 5.0604 5.0611 5.3003 5.3035 5.9487 5.9488 6.8126 6.8128 7.5836 7.5839 8.4096 8.4104 8.4617 8.4617 8.9078 8.9086 10.6571 10.6577 11.5546 11.5546 12.6419 12.6466 12.7070 12.7123 k = 0.6135-0.3996-0.7778 ( 4084 PWs) bands (ev): -7.5518 -7.5514 -7.2219 -7.2215 -5.6665 -5.6665 -3.0892 -3.0892 -1.5641 -1.5641 1.0764 1.0766 3.0254 3.0270 3.0908 3.0924 3.7534 3.7536 4.0259 4.0265 4.6493 4.6495 4.8735 4.8778 5.1221 5.1228 5.3487 5.3515 5.9737 5.9737 6.9105 6.9107 7.6749 7.6751 8.4560 8.4566 8.4603 8.4610 8.9534 8.9541 10.6424 10.6430 11.6068 11.6069 12.6142 12.6220 12.6595 12.6681 k = 0.6083-0.3787-0.7408 ( 4084 PWs) bands (ev): -7.5821 -7.5817 -7.2517 -7.2512 -5.7117 -5.7117 -3.1351 -3.1350 -1.5997 -1.5997 1.0312 1.0313 3.0541 3.0559 3.1102 3.1120 3.8567 3.8569 4.1202 4.1210 4.6800 4.6802 4.9172 4.9215 5.1815 5.1826 5.3970 5.3994 5.9957 5.9958 7.0086 7.0088 7.7670 7.7673 8.4512 8.4513 8.5069 8.5076 8.9973 8.9981 10.6283 10.6289 11.6555 11.6555 12.5628 12.5681 12.6342 12.6403 k = 0.6031-0.3578-0.7039 ( 4082 PWs) bands (ev): -7.6114 -7.6110 -7.2804 -7.2800 -5.7550 -5.7549 -3.1790 -3.1790 -1.6341 -1.6340 0.9874 0.9876 3.0754 3.0773 3.1241 3.1261 3.9629 3.9633 4.2201 4.2210 4.7154 4.7158 4.9585 4.9627 5.2377 5.2393 5.4456 5.4476 6.0150 6.0150 7.1062 7.1064 7.8594 7.8596 8.4425 8.4426 8.5542 8.5549 9.0394 9.0402 10.6149 10.6155 11.6992 11.6993 12.5021 12.5056 12.6130 12.6172 k = 0.5980-0.3369-0.6669 ( 4086 PWs) bands (ev): -7.6396 -7.6392 -7.3081 -7.3078 -5.7963 -5.7962 -3.2210 -3.2210 -1.6672 -1.6671 0.9454 0.9455 3.0874 3.0893 3.1369 3.1389 4.0695 4.0700 4.3249 4.3259 4.7561 4.7568 4.9973 5.0015 5.2899 5.2918 5.4947 5.4962 6.0317 6.0317 7.2024 7.2026 7.9514 7.9515 8.4322 8.4324 8.6009 8.6015 9.0795 9.0802 10.6019 10.6025 11.7362 11.7364 12.4382 12.4407 12.5933 12.5965 k = 0.5928-0.3159-0.6300 ( 4088 PWs) bands (ev): -7.6667 -7.6664 -7.3347 -7.3344 -5.8356 -5.8355 -3.2610 -3.2610 -1.6989 -1.6988 0.9050 0.9052 3.0910 3.0926 3.1499 3.1515 4.1746 4.1752 4.4340 4.4352 4.8023 4.8033 5.0337 5.0377 5.3376 5.3399 5.5440 5.5452 6.0460 6.0461 7.2963 7.2965 8.0421 8.0422 8.4213 8.4216 8.6472 8.6478 9.1173 9.1180 10.5893 10.5899 11.7643 11.7645 12.3724 12.3742 12.5786 12.5811 k = 0.5877-0.2950-0.5930 ( 4084 PWs) bands (ev): -7.6927 -7.6923 -7.3602 -7.3598 -5.8728 -5.8728 -3.2990 -3.2990 -1.7292 -1.7291 0.8665 0.8667 3.0889 3.0901 3.1616 3.1630 4.2771 4.2778 4.5463 4.5477 4.8539 4.8553 5.0679 5.0717 5.3808 5.3833 5.5934 5.5942 6.0582 6.0583 7.3867 7.3869 8.1308 8.1309 8.4108 8.4112 8.6933 8.6939 9.1528 9.1535 10.5769 10.5775 11.7809 11.7812 12.3051 12.3064 12.5730 12.5749 k = 0.5825-0.2741-0.5560 ( 4088 PWs) bands (ev): -7.7174 -7.7171 -7.3844 -7.3841 -5.9081 -5.9080 -3.3350 -3.3350 -1.7580 -1.7580 0.8300 0.8301 3.0833 3.0842 3.1711 3.1721 4.3762 4.3771 4.6601 4.6619 4.9105 4.9123 5.1001 5.1038 5.4197 5.4223 5.6422 5.6428 6.0685 6.0686 7.4722 7.4724 8.2161 8.2164 8.4018 8.4025 8.7398 8.7403 9.1859 9.1866 10.5648 10.5654 11.7844 11.7846 12.2361 12.2371 12.5797 12.5812 k = 0.5774-0.2532-0.5191 ( 4086 PWs) bands (ev): -7.7409 -7.7406 -7.4074 -7.4071 -5.9413 -5.9412 -3.3690 -3.3690 -1.7853 -1.7853 0.7953 0.7955 3.0757 3.0765 3.1779 3.1788 4.4719 4.4730 4.7733 4.7754 4.9720 4.9744 5.1311 5.1346 5.4547 5.4574 5.6899 5.6903 6.0771 6.0772 7.5509 7.5510 8.2967 8.2976 8.3963 8.3975 8.7871 8.7876 9.2166 9.2172 10.5528 10.5534 11.7741 11.7744 12.1657 12.1664 12.6003 12.6015 k = 0.5722-0.2322-0.4821 ( 4090 PWs) bands (ev): -7.7630 -7.7627 -7.4290 -7.4288 -5.9724 -5.9723 -3.4008 -3.4008 -1.8111 -1.8111 0.7628 0.7629 3.0669 3.0675 3.1823 3.1831 4.5640 4.5651 4.8824 4.8850 5.0385 5.0416 5.1620 5.1652 5.4864 5.4891 5.7358 5.7362 6.0841 6.0842 7.6207 7.6208 8.3676 8.3716 8.3978 8.4020 8.8357 8.8362 9.2449 9.2454 10.5409 10.5415 11.7514 11.7516 12.0937 12.0943 12.6346 12.6356 k = 0.5670-0.2113-0.4451 ( 4082 PWs) bands (ev): -7.7838 -7.7835 -7.4494 -7.4491 -6.0014 -6.0013 -3.4306 -3.4306 -1.8352 -1.8352 0.7323 0.7324 3.0575 3.0580 3.1846 3.1853 4.6523 4.6536 4.9826 4.9857 5.1090 5.1132 5.1965 5.1991 5.5153 5.5180 5.7796 5.7798 6.0897 6.0898 7.6793 7.6794 8.3968 8.3994 8.4461 8.4490 8.8862 8.8866 9.2706 9.2711 10.5291 10.5297 11.7185 11.7188 12.0205 12.0211 12.6808 12.6815 k = 0.5619-0.1904-0.4082 ( 4084 PWs) bands (ev): -7.8032 -7.8030 -7.4683 -7.4681 -6.0283 -6.0283 -3.4582 -3.4582 -1.8578 -1.8577 0.7039 0.7040 3.0479 3.0483 3.1852 3.1858 4.7368 4.7381 5.0684 5.0717 5.1751 5.1802 5.2465 5.2482 5.5421 5.5448 5.8207 5.8209 6.0941 6.0942 7.7248 7.7249 8.4139 8.4152 8.5080 8.5096 8.9387 8.9391 9.2939 9.2944 10.5175 10.5181 11.6783 11.6786 11.9466 11.9472 12.7364 12.7370 k = 0.5567-0.1695-0.3712 ( 4082 PWs) bands (ev): -7.8212 -7.8210 -7.4859 -7.4857 -6.0531 -6.0531 -3.4837 -3.4837 -1.8786 -1.8785 0.6776 0.6777 3.0384 3.0387 3.1843 3.1849 4.8171 4.8184 5.1360 5.1386 5.2262 5.2309 5.3241 5.3257 5.5677 5.5704 5.8589 5.8590 6.0974 6.0976 7.7562 7.7563 8.4390 8.4401 8.5629 8.5641 8.9931 8.9935 9.3147 9.3151 10.5061 10.5067 11.6333 11.6337 11.8725 11.8732 12.7989 12.7994 k = 0.5516-0.1485-0.3342 ( 4084 PWs) bands (ev): -7.8377 -7.8375 -7.5020 -7.5019 -6.0758 -6.0757 -3.5070 -3.5070 -1.8977 -1.8977 0.6536 0.6537 3.0291 3.0294 3.1825 3.1829 4.8928 4.8942 5.1833 5.1846 5.2767 5.2801 5.4132 5.4148 5.5943 5.5969 5.8940 5.8941 6.0998 6.1000 7.7740 7.7740 8.4728 8.4736 8.6103 8.6112 9.0487 9.0491 9.3330 9.3335 10.4950 10.4955 11.5859 11.5863 11.7991 11.7999 12.8661 12.8665 k = 0.5464-0.1276-0.2973 ( 4082 PWs) bands (ev): -7.8528 -7.8526 -7.5167 -7.5166 -6.0963 -6.0963 -3.5282 -3.5281 -1.9151 -1.9150 0.6318 0.6319 3.0203 3.0206 3.1799 3.1803 4.9636 4.9649 5.2141 5.2143 5.3325 5.3348 5.4958 5.4972 5.6274 5.6298 5.9258 5.9259 6.1014 6.1016 7.7799 7.7800 8.5133 8.5140 8.6506 8.6514 9.1043 9.1047 9.3490 9.3494 10.4842 10.4847 11.5378 11.5383 11.7275 11.7283 12.9357 12.9361 k = 0.5413-0.1067-0.2603 ( 4082 PWs) bands (ev): -7.8663 -7.8661 -7.5299 -7.5298 -6.1147 -6.1147 -3.5471 -3.5471 -1.9307 -1.9306 0.6122 0.6123 3.0122 3.0124 3.1770 3.1773 5.0289 5.0302 5.2352 5.2356 5.3893 5.3910 5.5563 5.5570 5.6781 5.6798 5.9543 5.9544 6.1023 6.1025 7.7768 7.7769 8.5578 8.5584 8.6844 8.6851 9.1587 9.1590 9.3627 9.3630 10.4739 10.4744 11.4904 11.4910 11.6588 11.6597 13.0058 13.0062 k = 0.5361-0.0858-0.2234 ( 4076 PWs) bands (ev): -7.8783 -7.8781 -7.5416 -7.5415 -6.1310 -6.1309 -3.5639 -3.5639 -1.9445 -1.9445 0.5948 0.5949 3.0048 3.0050 3.1738 3.1741 5.0884 5.0895 5.2513 5.2519 5.4437 5.4451 5.5907 5.5908 5.7469 5.7478 5.9793 5.9794 6.1026 6.1028 7.7674 7.7674 8.6035 8.6041 8.7126 8.7132 9.2104 9.2107 9.3741 9.3743 10.4642 10.4646 11.4450 11.4457 11.5945 11.5955 13.0746 13.0749 k = 0.5309-0.0648-0.1864 ( 4080 PWs) bands (ev): -7.8887 -7.8886 -7.5518 -7.5517 -6.1451 -6.1451 -3.5784 -3.5784 -1.9565 -1.9565 0.5798 0.5798 2.9982 2.9983 3.1707 3.1710 5.1412 5.1422 5.2642 5.2648 5.4940 5.4951 5.6108 5.6112 5.8197 5.8202 6.0009 6.0009 6.1025 6.1028 7.7541 7.7541 8.6479 8.6484 8.7359 8.7363 9.2581 9.2583 9.3834 9.3836 10.4553 10.4557 11.4026 11.4033 11.5359 11.5370 13.1400 13.1403 k = 0.5258-0.0439-0.1494 ( 4088 PWs) bands (ev): -7.8975 -7.8974 -7.5604 -7.5603 -6.1570 -6.1570 -3.5907 -3.5907 -1.9667 -1.9667 0.5670 0.5671 2.9925 2.9926 3.1678 3.1681 5.1870 5.1879 5.2747 5.2753 5.5388 5.5396 5.6246 5.6251 5.8875 5.8879 6.0190 6.0190 6.1022 6.1025 7.7391 7.7392 8.6888 8.6892 8.7547 8.7551 9.3005 9.3007 9.3907 9.3909 10.4473 10.4476 11.3640 11.3648 11.4846 11.4856 13.2001 13.2003 k = 0.5206-0.0230-0.1125 ( 4092 PWs) bands (ev): -7.9048 -7.9047 -7.5675 -7.5674 -6.1668 -6.1668 -3.6008 -3.6008 -1.9751 -1.9750 0.5566 0.5566 2.9878 2.9879 3.1653 3.1655 5.2252 5.2259 5.2832 5.2837 5.5770 5.5776 5.6349 5.6354 5.9464 5.9467 6.0336 6.0337 6.1018 6.1021 7.7243 7.7244 8.7245 8.7248 8.7698 8.7701 9.3366 9.3367 9.3963 9.3965 10.4404 10.4407 11.3303 11.3310 11.4416 11.4426 13.2528 13.2530 k = 0.5155-0.0021-0.0755 ( 4088 PWs) bands (ev): -7.9104 -7.9104 -7.5730 -7.5729 -6.1744 -6.1744 -3.6087 -3.6087 -1.9816 -1.9816 0.5484 0.5485 2.9840 2.9841 3.1632 3.1633 5.2551 5.2556 5.2900 5.2904 5.6075 5.6079 5.6427 5.6431 5.9940 5.9944 6.0449 6.0450 6.1014 6.1017 7.7112 7.7112 8.7534 8.7536 8.7815 8.7817 9.3654 9.3656 9.4006 9.4007 10.4348 10.4350 11.3025 11.3030 11.4078 11.4086 13.2960 13.2962 k = 0.5103 0.0189-0.0385 ( 4082 PWs) bands (ev): -7.9145 -7.9144 -7.5769 -7.5769 -6.1798 -6.1798 -3.6143 -3.6143 -1.9862 -1.9862 0.5426 0.5426 2.9814 2.9814 3.1617 3.1617 5.2759 5.2762 5.2959 5.2961 5.6290 5.6293 5.6491 5.6493 6.0288 6.0291 6.0530 6.0531 6.1012 6.1015 7.7009 7.7009 8.7741 8.7742 8.7904 8.7905 9.3861 9.3862 9.4038 9.4039 10.4307 10.4308 11.2816 11.2820 11.3837 11.3842 13.3272 13.3274 k = 0.5052 0.0398-0.0016 ( 4080 PWs) bands (ev): -7.9169 -7.9169 -7.5793 -7.5793 -6.1831 -6.1831 -3.6176 -3.6176 -1.9890 -1.9890 0.5391 0.5391 2.9797 2.9798 3.1607 3.1608 5.2867 5.2868 5.3011 5.3012 5.6405 5.6406 5.6547 5.6547 6.0488 6.0491 6.0591 6.0591 6.1011 6.1013 7.6943 7.6943 8.7854 8.7854 8.7972 8.7972 9.3974 9.3974 9.4070 9.4070 10.4282 10.4282 11.2686 11.2688 11.3692 11.3695 13.3430 13.3431 k = 0.5000 0.0607 0.0354 ( 4086 PWs) bands (ev): -7.9177 -7.9177 -7.5801 -7.5801 -6.1842 -6.1842 -3.6188 -3.6188 -1.9899 -1.9899 0.5380 0.5380 2.9792 2.9792 3.1604 3.1604 5.2896 5.2896 5.3036 5.3036 5.6436 5.6436 5.6573 5.6573 6.0542 6.0542 6.0626 6.0626 6.1013 6.1013 7.6921 7.6921 8.7886 8.7886 8.8000 8.8000 9.4002 9.4002 9.4090 9.4090 10.4273 10.4273 11.2643 11.2643 11.3645 11.3645 13.3457 13.3457 k = 0.5000 0.0607 0.0354 ( 4086 PWs) bands (ev): -7.9177 -7.9177 -7.5801 -7.5801 -6.1842 -6.1842 -3.6188 -3.6188 -1.9899 -1.9899 0.5380 0.5380 2.9792 2.9792 3.1604 3.1604 5.2896 5.2896 5.3036 5.3036 5.6436 5.6436 5.6573 5.6573 6.0542 6.0542 6.0626 6.0626 6.1013 6.1013 7.6921 7.6921 8.7886 8.7886 8.8000 8.8000 9.4002 9.4002 9.4090 9.4090 10.4273 10.4273 11.2643 11.2643 11.3645 11.3645 13.3457 13.3457 k = 0.4583 0.0556 0.0324 ( 4080 PWs) bands (ev): -7.9177 -7.9177 -7.5800 -7.5800 -6.1843 -6.1843 -3.6184 -3.6184 -1.9911 -1.9911 0.5419 0.5419 2.9111 2.9111 3.2315 3.2315 5.2897 5.2897 5.3036 5.3036 5.6436 5.6436 5.6573 5.6573 6.0540 6.0540 6.0626 6.0626 6.0866 6.0866 7.7047 7.7047 8.7886 8.7886 8.8000 8.8000 9.4002 9.4002 9.4090 9.4090 10.4162 10.4162 11.2678 11.2678 11.3689 11.3689 13.3457 13.3457 k = 0.4167 0.0506 0.0295 ( 4089 PWs) bands (ev): -7.9178 -7.9178 -7.5799 -7.5799 -6.1845 -6.1845 -3.6172 -3.6172 -1.9944 -1.9944 0.5537 0.5537 2.7969 2.7969 3.3545 3.3545 5.2896 5.2896 5.3036 5.3036 5.6436 5.6436 5.6572 5.6572 6.0419 6.0419 6.0559 6.0559 6.0626 6.0626 7.7411 7.7411 8.7886 8.7886 8.8000 8.8000 9.4002 9.4002 9.4090 9.4090 10.3842 10.3842 11.2760 11.2760 11.3829 11.3829 13.3456 13.3456 k = 0.3750 0.0455 0.0265 ( 4088 PWs) bands (ev): -7.9180 -7.9180 -7.5796 -7.5796 -6.1848 -6.1848 -3.6152 -3.6152 -1.9997 -1.9997 0.5728 0.5728 2.6788 2.6788 3.4876 3.4876 5.2896 5.2896 5.3036 5.3036 5.6435 5.6435 5.6572 5.6572 5.9759 5.9759 6.0548 6.0548 6.0626 6.0626 7.7972 7.7972 8.7886 8.7886 8.8000 8.8000 9.4003 9.4003 9.4091 9.4091 10.3352 10.3352 11.2847 11.2847 11.4074 11.4074 13.3456 13.3456 k = 0.3333 0.0405 0.0236 ( 4097 PWs) bands (ev): -7.9181 -7.9181 -7.5793 -7.5793 -6.1853 -6.1853 -3.6127 -3.6127 -2.0065 -2.0065 0.5985 0.5985 2.5633 2.5633 3.6244 3.6244 5.2896 5.2896 5.3036 5.3036 5.6435 5.6435 5.6572 5.6572 5.8896 5.8896 6.0547 6.0547 6.0627 6.0627 7.8676 7.8676 8.7885 8.7885 8.8000 8.8000 9.4003 9.4003 9.4091 9.4091 10.2737 10.2737 11.2911 11.2911 11.4406 11.4406 13.3455 13.3455 k = 0.2917 0.0354 0.0206 ( 4103 PWs) bands (ev): -7.9183 -7.9183 -7.5789 -7.5789 -6.1858 -6.1858 -3.6098 -3.6098 -2.0144 -2.0144 0.6297 0.6297 2.4530 2.4530 3.7630 3.7630 5.2896 5.2896 5.3036 5.3036 5.6435 5.6435 5.6572 5.6572 5.7886 5.7886 6.0547 6.0547 6.0627 6.0627 7.9469 7.9469 8.7885 8.7885 8.7999 8.7999 9.4003 9.4003 9.4091 9.4091 10.2044 10.2044 11.2953 11.2953 11.4786 11.4786 13.3455 13.3455 k = 0.2500 0.0304 0.0177 ( 4097 PWs) bands (ev): -7.9185 -7.9185 -7.5785 -7.5785 -6.1864 -6.1864 -3.6066 -3.6066 -2.0229 -2.0229 0.6649 0.6649 2.3495 2.3495 3.9022 3.9022 5.2896 5.2896 5.3036 5.3036 5.6433 5.6433 5.6572 5.6572 5.6773 5.6773 6.0547 6.0547 6.0627 6.0627 8.0303 8.0303 8.7885 8.7885 8.7999 8.7999 9.4004 9.4004 9.4092 9.4092 10.1314 10.1314 11.2980 11.2980 11.5178 11.5178 13.3454 13.3454 k = 0.2083 0.0253 0.0147 ( 4094 PWs) bands (ev): -7.9187 -7.9187 -7.5781 -7.5781 -6.1869 -6.1869 -3.6034 -3.6034 -2.0313 -2.0313 0.7022 0.7022 2.2548 2.2548 4.0409 4.0409 5.2896 5.2896 5.3036 5.3036 5.5586 5.5586 5.6436 5.6436 5.6572 5.6572 6.0547 6.0547 6.0627 6.0627 8.1129 8.1129 8.7884 8.7884 8.7999 8.7999 9.4004 9.4004 9.4092 9.4092 10.0586 10.0586 11.2998 11.2998 11.5549 11.5549 13.3454 13.3454 k = 0.1667 0.0202 0.0118 ( 4097 PWs) bands (ev): -7.9189 -7.9189 -7.5777 -7.5777 -6.1874 -6.1874 -3.6005 -3.6005 -2.0391 -2.0391 0.7393 0.7393 2.1710 2.1710 4.1773 4.1773 5.2896 5.2896 5.3036 5.3036 5.4368 5.4368 5.6435 5.6435 5.6571 5.6571 6.0547 6.0547 6.0627 6.0627 8.1903 8.1903 8.7884 8.7884 8.7999 8.7999 9.4004 9.4004 9.4092 9.4092 9.9898 9.9898 11.3009 11.3009 11.5879 11.5879 13.3453 13.3453 k = 0.1250 0.0152 0.0088 ( 4100 PWs) bands (ev): -7.9191 -7.9191 -7.5774 -7.5774 -6.1879 -6.1879 -3.5979 -3.5979 -2.0458 -2.0458 0.7734 0.7734 2.1009 2.1009 4.3086 4.3086 5.2894 5.2894 5.3036 5.3036 5.3160 5.3160 5.6434 5.6434 5.6571 5.6571 6.0547 6.0547 6.0627 6.0627 8.2580 8.2580 8.7884 8.7884 8.7998 8.7998 9.4005 9.4005 9.4093 9.4093 9.9294 9.9294 11.3017 11.3017 11.6151 11.6151 13.3452 13.3452 k = 0.0833 0.0101 0.0059 ( 4106 PWs) bands (ev): -7.9192 -7.9192 -7.5772 -7.5772 -6.1882 -6.1882 -3.5959 -3.5959 -2.0509 -2.0509 0.8012 0.8012 2.0475 2.0475 4.4287 4.4287 5.2022 5.2022 5.2897 5.2897 5.3036 5.3036 5.6434 5.6434 5.6571 5.6571 6.0547 6.0547 6.0627 6.0627 8.3110 8.3110 8.7883 8.7883 8.7998 8.7998 9.4005 9.4005 9.4093 9.4093 9.8816 9.8816 11.3021 11.3021 11.6353 11.6353 13.3452 13.3452 k = 0.0417 0.0051 0.0029 ( 4112 PWs) bands (ev): -7.9193 -7.9193 -7.5770 -7.5770 -6.1885 -6.1885 -3.5946 -3.5946 -2.0541 -2.0541 0.8195 0.8195 2.0139 2.0139 4.5232 4.5232 5.1116 5.1116 5.2897 5.2897 5.3036 5.3036 5.6434 5.6434 5.6570 5.6570 6.0547 6.0547 6.0627 6.0627 8.3451 8.3451 8.7883 8.7883 8.7998 8.7998 9.4005 9.4005 9.4093 9.4093 9.8508 9.8508 11.3024 11.3024 11.6478 11.6478 13.3452 13.3452 k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -7.9193 -7.9193 -7.5770 -7.5770 -6.1885 -6.1885 -3.5942 -3.5942 -2.0552 -2.0552 0.8259 0.8259 2.0023 2.0023 4.5623 4.5623 5.0738 5.0738 5.2897 5.2897 5.3036 5.3036 5.6434 5.6434 5.6571 5.6571 6.0547 6.0547 6.0627 6.0627 8.3569 8.3569 8.7883 8.7883 8.7998 8.7998 9.4005 9.4005 9.4093 9.4093 9.8401 9.8401 11.3025 11.3025 11.6520 11.6520 13.3452 13.3452 k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -7.9193 -7.9193 -7.5770 -7.5770 -6.1885 -6.1885 -3.5942 -3.5942 -2.0552 -2.0552 0.8259 0.8259 2.0023 2.0023 4.5623 4.5623 5.0738 5.0738 5.2897 5.2897 5.3036 5.3036 5.6434 5.6434 5.6571 5.6571 6.0547 6.0547 6.0627 6.0627 8.3569 8.3569 8.7883 8.7883 8.7998 8.7998 9.4005 9.4005 9.4093 9.4093 9.8401 9.8401 11.3025 11.3025 11.6520 11.6520 13.3452 13.3452 k = 0.0052-0.0209-0.0369 ( 4111 PWs) bands (ev): -7.9185 -7.9185 -7.5762 -7.5762 -6.1874 -6.1874 -3.5931 -3.5931 -2.0542 -2.0542 0.8269 0.8269 2.0033 2.0033 4.5618 4.5619 5.0688 5.0694 5.2887 5.2897 5.3030 5.3031 5.6408 5.6413 5.6549 5.6549 6.0502 6.0503 6.0595 6.0595 8.3565 8.3565 8.7853 8.7854 8.7971 8.7971 9.3962 9.3963 9.4068 9.4068 9.8448 9.8448 11.3083 11.3083 11.6542 11.6543 13.3429 13.3430 k = 0.0103-0.0418-0.0739 ( 4105 PWs) bands (ev): -7.9161 -7.9161 -7.5739 -7.5738 -6.1842 -6.1842 -3.5898 -3.5898 -2.0513 -2.0513 0.8299 0.8299 2.0061 2.0062 4.5604 4.5605 5.0548 5.0559 5.2868 5.2886 5.3013 5.3015 5.6325 5.6335 5.6497 5.6499 6.0335 6.0336 6.0535 6.0536 8.3552 8.3552 8.7751 8.7753 8.7904 8.7905 9.3794 9.3795 9.4037 9.4038 9.8584 9.8585 11.3255 11.3256 11.6610 11.6611 13.3287 13.3288 k = 0.0155-0.0627-0.1108 ( 4097 PWs) bands (ev): -7.9121 -7.9120 -7.5699 -7.5699 -6.1787 -6.1787 -3.5843 -3.5842 -2.0464 -2.0464 0.8348 0.8349 2.0109 2.0109 4.5580 4.5581 5.0323 5.0338 5.2835 5.2856 5.2982 5.2989 5.6168 5.6184 5.6431 5.6436 6.0045 6.0047 6.0455 6.0456 8.3525 8.3525 8.7568 8.7570 8.7813 8.7816 9.3509 9.3510 9.4007 9.4008 9.8796 9.8798 11.3537 11.3538 11.6722 11.6724 13.3000 13.3002 k = 0.0206-0.0836-0.1478 ( 4099 PWs) bands (ev): -7.9064 -7.9063 -7.5644 -7.5644 -6.1711 -6.1711 -3.5765 -3.5765 -2.0395 -2.0395 0.8417 0.8418 2.0175 2.0175 4.5543 4.5545 5.0020 5.0038 5.2782 5.2804 5.2933 5.2945 5.5940 5.5960 5.6352 5.6360 5.9655 5.9658 6.0347 6.0348 8.3473 8.3474 8.7318 8.7322 8.7696 8.7700 9.3132 9.3133 9.3966 9.3967 9.9069 9.9071 11.3920 11.3921 11.6874 11.6877 13.2602 13.2604 k = 0.0258-0.1046-0.1847 ( 4093 PWs) bands (ev): -7.8991 -7.8990 -7.5574 -7.5573 -6.1613 -6.1613 -3.5666 -3.5666 -2.0308 -2.0307 0.8506 0.8507 2.0260 2.0261 4.5490 4.5493 4.9647 4.9667 5.2706 5.2729 5.2857 5.2874 5.5643 5.5668 5.6254 5.6266 5.9190 5.9195 6.0208 6.0209 8.3382 8.3383 8.7025 8.7029 8.7545 8.7550 9.2682 9.2683 9.3910 9.3912 9.9388 9.9391 11.4392 11.4394 11.7064 11.7067 13.2116 13.2119 k = 0.0309-0.1255-0.2216 ( 4087 PWs) bands (ev): -7.8903 -7.8902 -7.5488 -7.5487 -6.1493 -6.1493 -3.5544 -3.5544 -2.0200 -2.0200 0.8614 0.8615 2.0363 2.0364 4.5418 4.5421 4.9210 4.9231 5.2602 5.2630 5.2744 5.2765 5.5279 5.5307 5.6133 5.6151 5.8682 5.8691 6.0036 6.0037 8.3231 8.3231 8.6715 8.6721 8.7354 8.7361 9.2173 9.2174 9.3837 9.3839 9.9745 9.9748 11.4941 11.4944 11.7285 11.7290 13.1564 13.1568 k = 0.0361-0.1464-0.2586 ( 4079 PWs) bands (ev): -7.8798 -7.8797 -7.5387 -7.5386 -6.1352 -6.1352 -3.5401 -3.5401 -2.0074 -2.0074 0.8741 0.8742 2.0485 2.0486 4.5319 4.5324 4.8718 4.8740 5.2461 5.2506 5.2583 5.2613 5.4838 5.4869 5.5988 5.6013 5.8174 5.8187 5.9830 5.9832 8.2992 8.2993 8.6420 8.6427 8.7119 8.7127 9.1618 9.1620 9.3745 9.3747 10.0132 10.0135 11.5551 11.5555 11.7533 11.7539 13.0966 13.0970 k = 0.0412-0.1673-0.2955 ( 4079 PWs) bands (ev): -7.8679 -7.8677 -7.5271 -7.5269 -6.1189 -6.1189 -3.5236 -3.5236 -1.9929 -1.9929 0.8887 0.8889 2.0625 2.0626 4.5186 4.5192 4.8178 4.8201 5.2258 5.2341 5.2368 5.2428 5.4311 5.4342 5.5822 5.5853 5.7709 5.7729 5.9591 5.9592 8.2644 8.2645 8.6167 8.6176 8.6831 8.6842 9.1032 9.1034 9.3631 9.3634 10.0542 10.0546 11.6205 11.6210 11.7802 11.7809 13.0342 13.0347 k = 0.0464-0.1882-0.3325 ( 4079 PWs) bands (ev): -7.8543 -7.8541 -7.5140 -7.5138 -6.1005 -6.1004 -3.5050 -3.5049 -1.9765 -1.9765 0.9052 0.9053 2.0782 2.0783 4.5007 4.5015 4.7601 4.7625 5.1958 5.2038 5.2167 5.2223 5.3706 5.3733 5.5641 5.5675 5.7325 5.7351 5.9317 5.9318 8.2174 8.2175 8.5970 8.5984 8.6483 8.6498 9.0429 9.0431 9.3496 9.3499 10.0970 10.0974 11.6881 11.6889 11.8088 11.8097 12.9713 12.9718 k = 0.0515-0.2091-0.3694 ( 4075 PWs) bands (ev): -7.8393 -7.8391 -7.4994 -7.4992 -6.0799 -6.0799 -3.4841 -3.4841 -1.9582 -1.9582 0.9235 0.9236 2.0957 2.0958 4.4768 4.4779 4.6998 4.7024 5.1527 5.1596 5.1925 5.1981 5.3080 5.3099 5.5452 5.5486 5.7034 5.7064 5.9010 5.9011 8.1587 8.1588 8.5819 8.5848 8.6065 8.6098 8.9826 8.9828 9.3337 9.3340 10.1413 10.1417 11.7540 11.7552 11.8404 11.8417 12.9099 12.9105 k = 0.0567-0.2300-0.4063 ( 4079 PWs) bands (ev): -7.8228 -7.8225 -7.4833 -7.4831 -6.0572 -6.0571 -3.4612 -3.4611 -1.9381 -1.9381 0.9435 0.9437 2.1148 2.1149 4.4450 4.4466 4.6384 4.6412 5.0900 5.0948 5.1629 5.1682 5.2538 5.2558 5.5256 5.5287 5.6826 5.6857 5.8669 5.8670 8.0899 8.0901 8.5522 8.5549 8.5779 8.5810 8.9236 8.9238 9.3154 9.3158 10.1865 10.1869 11.8091 11.8106 11.8817 11.8833 12.8521 12.8527 k = 0.0618-0.2509-0.4433 ( 4083 PWs) bands (ev): -7.8048 -7.8045 -7.4658 -7.4656 -6.0323 -6.0323 -3.4361 -3.4360 -1.9162 -1.9162 0.9653 0.9655 2.1354 2.1356 4.4036 4.4055 4.5774 4.5804 5.0043 5.0071 5.1298 5.1341 5.2132 5.2159 5.5049 5.5074 5.6687 5.6716 5.8296 5.8297 8.0129 8.0131 8.4958 8.4964 8.5725 8.5736 8.8671 8.8673 9.2947 9.2951 10.2323 10.2328 11.8435 11.8447 11.9403 11.9416 12.8000 12.8007 k = 0.0670-0.2718-0.4802 ( 4085 PWs) bands (ev): -7.7854 -7.7851 -7.4470 -7.4467 -6.0053 -6.0053 -3.4088 -3.4088 -1.8925 -1.8925 0.9888 0.9890 2.1576 2.1578 4.3516 4.3538 4.5176 4.5208 4.9012 4.9027 5.0964 5.0998 5.1811 5.1841 5.4824 5.4842 5.6602 5.6627 5.7892 5.7895 7.9295 7.9298 8.4288 8.4290 8.5696 8.5702 8.8135 8.8138 9.2716 9.2720 10.2784 10.2789 11.8613 11.8621 12.0090 12.0100 12.7556 12.7564 k = 0.0721-0.2928-0.5172 ( 4085 PWs) bands (ev): -7.7645 -7.7643 -7.4267 -7.4265 -5.9763 -5.9762 -3.3795 -3.3795 -1.8671 -1.8671 1.0139 1.0141 2.1812 2.1814 4.2894 4.2918 4.4585 4.4616 4.7870 4.7880 5.0651 5.0677 5.1517 5.1549 5.4571 5.4583 5.6558 5.6579 5.7462 5.7469 7.8412 7.8415 8.3535 8.3537 8.5678 8.5683 8.7626 8.7629 9.2460 9.2464 10.3244 10.3250 11.8672 11.8678 12.0804 12.0812 12.7205 12.7215 k = 0.0773-0.3137-0.5541 ( 4087 PWs) bands (ev): -7.7424 -7.7421 -7.4052 -7.4049 -5.9451 -5.9451 -3.3482 -3.3482 -1.8400 -1.8400 1.0405 1.0407 2.2061 2.2063 4.2192 4.2216 4.3983 4.4013 4.6659 4.6665 5.0370 5.0391 5.1224 5.1256 5.4286 5.4294 5.6531 5.6552 5.7015 5.7035 7.7492 7.7495 8.2715 8.2717 8.5664 8.5668 8.7137 8.7140 9.2179 9.2184 10.3701 10.3707 11.8623 11.8628 12.1520 12.1528 12.6957 12.6968 k = 0.0825-0.3346-0.5910 ( 4087 PWs) bands (ev): -7.7189 -7.7186 -7.3823 -7.3820 -5.9119 -5.9118 -3.3147 -3.3147 -1.8112 -1.8112 1.0686 1.0689 2.2322 2.2323 4.1431 4.1455 4.3355 4.3384 4.5401 4.5405 5.0125 5.0143 5.0919 5.0951 5.3963 5.3970 5.6388 5.6426 5.6673 5.6718 7.6544 7.6548 8.1842 8.1845 8.5647 8.5651 8.6660 8.6664 9.1874 9.1879 10.4151 10.4157 11.8467 11.8471 12.2230 12.2238 12.6810 12.6823 k = 0.0876-0.3555-0.6280 ( 4087 PWs) bands (ev): -7.6942 -7.6938 -7.3582 -7.3579 -5.8766 -5.8765 -3.2793 -3.2793 -1.7809 -1.7808 1.0981 1.0984 2.2591 2.2593 4.0631 4.0655 4.2692 4.2720 4.4113 4.4115 4.9914 4.9931 5.0595 5.0629 5.3599 5.3608 5.5963 5.5980 5.6655 5.6681 7.5578 7.5582 8.0928 8.0932 8.5622 8.5626 8.6190 8.6194 9.1545 9.1551 10.4592 10.4598 11.8214 11.8217 12.2928 12.2938 12.6751 12.6766 k = 0.0928-0.3764-0.6649 ( 4085 PWs) bands (ev): -7.6682 -7.6678 -7.3329 -7.3325 -5.8392 -5.8392 -3.2418 -3.2418 -1.7489 -1.7489 1.1289 1.1291 2.2868 2.2870 3.9805 3.9829 4.1994 4.2021 4.2805 4.2807 4.9733 4.9749 5.0250 5.0286 5.3193 5.3202 5.5466 5.5475 5.6696 5.6714 7.4602 7.4605 7.9987 7.9990 8.5569 8.5579 8.5733 8.5740 9.1193 9.1198 10.5022 10.5028 11.7877 11.7879 12.3614 12.3625 12.6757 12.6774 k = 0.0979-0.3973-0.7019 ( 4083 PWs) bands (ev): -7.6411 -7.6407 -7.3064 -7.3060 -5.7999 -5.7998 -3.2024 -3.2024 -1.7155 -1.7154 1.1608 1.1611 2.3149 2.3151 3.8964 3.8988 4.1258 4.1286 4.1494 4.1496 4.9572 4.9590 4.9882 4.9921 5.2742 5.2751 5.4953 5.4958 5.6749 5.6763 7.3621 7.3624 7.9027 7.9030 8.5216 8.5225 8.5565 8.5568 9.0817 9.0824 10.5437 10.5444 11.7472 11.7474 12.4288 12.4301 12.6799 12.6820 k = 0.1031-0.4182-0.7388 ( 4089 PWs) bands (ev): -7.6128 -7.6124 -7.2788 -7.2784 -5.7585 -5.7585 -3.1611 -3.1610 -1.6806 -1.6806 1.1938 1.1941 2.3429 2.3431 3.8115 3.8138 4.0164 4.0168 4.0519 4.0541 4.9400 4.9419 4.9512 4.9555 5.2246 5.2254 5.4434 5.4438 5.6805 5.6817 7.2642 7.2646 7.8056 7.8060 8.4734 8.4741 8.5502 8.5504 9.0421 9.0427 10.5838 10.5844 11.7014 11.7015 12.4947 12.4965 12.6848 12.6873 k = 0.1082-0.4391-0.7757 ( 4087 PWs) bands (ev): -7.5836 -7.5831 -7.2502 -7.2498 -5.7152 -5.7151 -3.1178 -3.1178 -1.6443 -1.6443 1.2277 1.2280 2.3704 2.3706 3.7262 3.7285 3.8863 3.8866 3.9743 3.9766 4.9034 4.9054 4.9332 4.9340 5.1708 5.1713 5.3911 5.3918 5.6858 5.6868 7.1672 7.1675 7.7084 7.7088 8.4236 8.4243 8.5427 8.5427 9.0004 9.0010 10.6221 10.6227 11.6516 11.6517 12.5590 12.5615 12.6878 12.6910 k = 0.1134-0.4600-0.8127 ( 4081 PWs) bands (ev): -7.5533 -7.5528 -7.2205 -7.2201 -5.6699 -5.6698 -3.0727 -3.0726 -1.6068 -1.6067 1.2624 1.2627 2.3966 2.3967 3.6405 3.6428 3.7589 3.7592 3.8958 3.8980 4.8571 4.8596 4.9192 4.9201 5.1134 5.1139 5.3389 5.3399 5.6904 5.6913 7.0715 7.0719 7.6116 7.6120 8.3727 8.3734 8.5333 8.5333 8.9570 8.9576 10.6586 10.6592 11.5988 11.5988 12.6197 12.6242 12.6877 12.6929 k = 0.1185-0.4810-0.8496 ( 4081 PWs) bands (ev): -7.5220 -7.5216 -7.1899 -7.1895 -5.6227 -5.6226 -3.0257 -3.0257 -1.5680 -1.5680 1.2977 1.2979 2.4202 2.4203 3.5529 3.5552 3.6377 3.6380 3.8169 3.8191 4.8063 4.8090 4.9042 4.9055 5.0536 5.0547 5.2865 5.2880 5.6938 5.6945 6.9777 6.9781 7.5158 7.5162 8.3207 8.3214 8.5217 8.5217 8.9120 8.9127 10.6932 10.6938 11.5434 11.5435 12.6608 12.6679 12.7001 12.7077 k = 0.1237-0.5019-0.8865 ( 4077 PWs) bands (ev): -7.4900 -7.4895 -7.1585 -7.1580 -5.5736 -5.5735 -2.9769 -2.9769 -1.5281 -1.5281 1.3333 1.3336 2.4399 2.4400 3.4583 3.4602 3.5301 3.5304 3.7381 3.7402 4.7511 4.7537 4.8857 4.8876 4.9942 4.9964 5.2338 5.2356 5.6955 5.6961 6.8863 6.8866 7.4216 7.4220 8.2677 8.2684 8.5075 8.5076 8.8660 8.8666 10.7256 10.7262 11.4859 11.4861 12.6593 12.6616 12.7556 12.7584 k = 0.1288-0.5228-0.9235 ( 4081 PWs) bands (ev): -7.4571 -7.4566 -7.1263 -7.1258 -5.5226 -5.5226 -2.9265 -2.9264 -1.4872 -1.4871 1.3691 1.3694 2.4535 2.4536 3.3532 3.3547 3.4421 3.4425 3.6600 3.6620 4.6907 4.6931 4.8588 4.8613 4.9409 4.9441 5.1803 5.1825 5.6950 5.6956 6.7977 6.7980 7.3296 7.3300 8.2140 8.2147 8.4904 8.4904 8.8194 8.8200 10.7557 10.7564 11.4266 11.4268 12.6441 12.6452 12.8154 12.8169 k = 0.1340-0.5437-0.9604 ( 4081 PWs) bands (ev): -7.4235 -7.4230 -7.0933 -7.0927 -5.4699 -5.4698 -2.8743 -2.8742 -1.4453 -1.4452 1.4048 1.4051 2.4578 2.4580 3.2453 3.2466 3.3694 3.3699 3.5830 3.5850 4.6249 4.6270 4.8170 4.8189 4.9019 4.9052 5.1260 5.1285 5.6919 5.6924 6.7123 6.7126 7.2401 7.2405 8.1596 8.1603 8.4696 8.4696 8.7729 8.7736 10.7836 10.7843 11.3656 11.3660 12.6247 12.6253 12.8741 12.8750 k = 0.1391-0.5646-0.9974 ( 4071 PWs) bands (ev): -7.3893 -7.3887 -7.0596 -7.0591 -5.4153 -5.4153 -2.8204 -2.8204 -1.4026 -1.4025 1.4402 1.4405 2.4493 2.4496 3.1420 3.1432 3.3087 3.3093 3.5078 3.5096 4.5537 4.5554 4.7623 4.7630 4.8748 4.8774 5.0707 5.0735 5.6858 5.6862 6.6305 6.6308 7.1536 7.1540 8.1050 8.1057 8.4443 8.4445 8.7275 8.7281 10.8090 10.8097 11.3032 11.3036 12.6041 12.6045 12.9307 12.9314 k = 0.1443-0.5855-1.0343 ( 4059 PWs) bands (ev): -7.3546 -7.3539 -7.0254 -7.0248 -5.3590 -5.3590 -2.7650 -2.7650 -1.3592 -1.3591 1.4750 1.4753 2.4240 2.4243 3.0468 3.0482 3.2607 3.2615 3.4349 3.4366 4.4773 4.4787 4.7018 4.7022 4.8516 4.8537 5.0142 5.0172 5.6761 5.6765 6.5526 6.5528 7.0705 7.0708 8.0504 8.0511 8.4138 8.4140 8.6840 8.6846 10.8316 10.8325 11.2395 11.2401 12.5844 12.5847 12.9843 12.9849 k = 0.1495-0.6064-1.0712 ( 4067 PWs) bands (ev): -7.3193 -7.3187 -6.9907 -6.9901 -5.3011 -5.3010 -2.7081 -2.7081 -1.3152 -1.3152 1.5089 1.5091 2.3792 2.3796 2.9609 2.9624 3.2268 3.2278 3.3649 3.3664 4.3964 4.3975 4.6388 4.6400 4.8282 4.8301 4.9565 4.9598 5.6624 5.6627 6.4787 6.4789 6.9909 6.9913 7.9963 7.9970 8.3773 8.3776 8.6435 8.6440 10.8511 10.8521 11.1751 11.1760 12.5672 12.5675 13.0335 13.0341 k = 0.1546-0.6273-1.1082 ( 4065 PWs) bands (ev): -7.2837 -7.2830 -6.9556 -6.9549 -5.2415 -5.2415 -2.6497 -2.6497 -1.2708 -1.2707 1.5414 1.5417 2.3153 2.3157 2.8835 2.8852 3.2064 3.2079 3.2996 3.3007 4.3117 4.3126 4.5750 4.5768 4.8030 4.8048 4.8981 4.9017 5.6444 5.6447 6.4090 6.4091 6.9151 6.9154 7.9429 7.9436 8.3344 8.3347 8.6065 8.6069 10.8666 10.8680 11.1109 11.1123 12.5538 12.5540 13.0765 13.0772 k = 0.1598-0.6482-1.1451 ( 4065 PWs) bands (ev): -7.2478 -7.2471 -6.9201 -6.9195 -5.1804 -5.1803 -2.5899 -2.5899 -1.2261 -1.2260 1.5724 1.5726 2.2354 2.2357 2.8126 2.8143 3.1907 3.1929 3.2472 3.2480 4.2242 4.2248 4.5107 4.5130 4.7747 4.7764 4.8400 4.8438 5.6220 5.6222 6.3435 6.3436 6.8429 6.8433 7.8908 7.8916 8.2852 8.2856 8.5729 8.5733 10.8757 10.8778 11.0496 11.0517 12.5448 12.5450 13.1104 13.1112 k = 0.1649-0.6691-1.1821 ( 4071 PWs) bands (ev): -7.2117 -7.2110 -6.8845 -6.8837 -5.1178 -5.1177 -2.5289 -2.5288 -1.1813 -1.1812 1.6013 1.6016 2.1437 2.1441 2.7462 2.7480 3.1512 3.1533 3.2347 3.2349 4.1346 4.1352 4.4459 4.4484 4.7399 4.7413 4.7860 4.7895 5.5950 5.5952 6.2822 6.2823 6.7743 6.7747 7.8405 7.8412 8.2304 8.2309 8.5425 8.5428 10.8718 10.8749 10.9980 11.0012 12.5408 12.5410 13.1313 13.1321 k = 0.1701-0.6901-1.2190 ( 4065 PWs) bands (ev): -7.1756 -7.1748 -6.8487 -6.8479 -5.0537 -5.0537 -2.4665 -2.4665 -1.1364 -1.1363 1.6279 1.6282 2.0445 2.0449 2.6833 2.6852 3.0969 3.0986 3.2495 3.2500 4.0439 4.0444 4.3804 4.3832 4.6924 4.6929 4.7430 4.7452 5.5634 5.5636 6.2248 6.2249 6.7089 6.7093 7.7924 7.7931 8.1708 8.1713 8.5145 8.5148 10.8429 10.8463 10.9696 10.9730 12.5419 12.5420 13.1339 13.1349 k = 0.1752-0.7110-1.2559 ( 4057 PWs) bands (ev): -7.1394 -7.1385 -6.8128 -6.8120 -4.9884 -4.9883 -2.4031 -2.4030 -1.0918 -1.0917 1.6519 1.6523 1.9410 1.9413 2.6235 2.6253 3.0421 3.0435 3.2748 3.2756 3.9529 3.9532 4.3144 4.3173 4.6330 4.6345 4.7089 4.7099 5.5277 5.5278 6.1712 6.1713 6.6462 6.6466 7.7470 7.7477 8.1073 8.1079 8.4884 8.4886 10.7911 10.7937 10.9630 10.9657 12.5481 12.5483 13.1140 13.1151 k = 0.1804-0.7319-1.2929 ( 4055 PWs) bands (ev): -7.1033 -7.1024 -6.7770 -6.7762 -4.9218 -4.9217 -2.3385 -2.3385 -1.0476 -1.0475 1.6727 1.6733 1.8354 1.8358 2.5666 2.5683 2.9892 2.9904 3.3061 3.3069 3.8623 3.8626 4.2478 4.2509 4.5694 4.5714 4.6777 4.6783 5.4880 5.4882 6.1209 6.1210 6.5856 6.5859 7.7046 7.7054 8.0406 8.0412 8.4635 8.4637 10.7293 10.7313 10.9645 10.9666 12.5594 12.5595 13.0716 13.0727 k = 0.1855-0.7528-1.3298 ( 4051 PWs) bands (ev): -7.0674 -7.0665 -6.7414 -6.7406 -4.8540 -4.8540 -2.2731 -2.2730 -1.0040 -1.0038 1.6883 1.6899 1.7305 1.7320 2.5127 2.5144 2.9383 2.9393 3.3410 3.3417 3.7732 3.7734 4.1807 4.1839 4.5039 4.5062 4.6480 4.6483 5.4450 5.4452 6.0737 6.0738 6.5264 6.5267 7.6657 7.6665 7.9713 7.9721 8.4395 8.4397 10.6644 10.6660 10.9675 10.9693 12.5755 12.5757 13.0113 13.0124 k = 0.1907-0.7737-1.3668 ( 4049 PWs) bands (ev): -7.0319 -7.0309 -6.7061 -6.7052 -4.7853 -4.7853 -2.2067 -2.2067 -0.9611 -0.9610 1.6211 1.6217 1.7078 1.7082 2.4621 2.4637 2.8889 2.8898 3.3777 3.3784 3.6865 3.6865 4.1134 4.1166 4.4373 4.4397 4.6199 4.6201 5.3994 5.3995 6.0291 6.0291 6.4680 6.4683 7.6305 7.6313 7.9001 7.9009 8.4162 8.4163 10.5989 10.6002 10.9701 10.9716 12.5962 12.5963 12.9395 12.9406 k = 0.1958-0.7946-1.4037 ( 4049 PWs) bands (ev): -6.9967 -6.9957 -6.6712 -6.6702 -4.7157 -4.7156 -2.1397 -2.1396 -0.9192 -0.9191 1.5175 1.5177 1.7190 1.7192 2.4149 2.4164 2.8403 2.8410 3.4149 3.4152 3.6032 3.6035 4.0462 4.0494 4.3701 4.3726 4.5940 4.5941 5.3517 5.3518 5.9866 5.9866 6.4097 6.4101 7.5992 7.6001 7.8273 7.8282 8.3932 8.3933 10.5340 10.5352 10.9713 10.9727 12.6210 12.6211 12.8618 12.8628 k = 0.2010-0.8155-1.4406 ( 4045 PWs) bands (ev): -6.9621 -6.9610 -6.6367 -6.6357 -4.6453 -4.6453 -2.0720 -2.0719 -0.8785 -0.8784 1.4152 1.4153 1.7276 1.7278 2.3712 2.3726 2.7913 2.7919 3.4488 3.4501 3.5257 3.5274 3.9796 3.9827 4.3027 4.3051 4.5709 4.5710 5.3027 5.3029 5.9459 5.9459 6.3512 6.3515 7.5716 7.5727 7.7532 7.7544 8.3705 8.3705 10.4705 10.4716 10.9710 10.9722 12.6491 12.6493 12.7820 12.7831 k = 0.2061-0.8364-1.4776 ( 4043 PWs) bands (ev): -6.9281 -6.9269 -6.6028 -6.6017 -4.5744 -4.5743 -2.0038 -2.0037 -0.8392 -0.8391 1.3153 1.3154 1.7334 1.7337 2.3311 2.3325 2.7407 2.7412 3.4405 3.4447 3.4920 3.4966 3.9142 3.9172 4.2353 4.2377 4.5515 4.5516 5.2532 5.2534 5.9065 5.9065 6.2921 6.2924 7.5477 7.5491 7.6784 7.6800 8.3479 8.3479 10.4089 10.4099 10.9687 10.9699 12.6725 12.6731 12.7100 12.7114 k = 0.2113-0.8573-1.5145 ( 4055 PWs) bands (ev): -6.8948 -6.8936 -6.5696 -6.5685 -4.5030 -4.5030 -1.9353 -1.9351 -0.8015 -0.8014 1.2183 1.2184 1.7368 1.7371 2.2948 2.2960 2.6872 2.6876 3.3788 3.3810 3.5187 3.5211 3.8515 3.8543 4.1685 4.1709 4.5363 4.5364 5.2038 5.2040 5.8680 5.8681 6.2321 6.2325 7.5263 7.5286 7.6036 7.6060 8.3253 8.3253 10.3496 10.3504 10.9644 10.9654 12.6162 12.6168 12.7232 12.7236 k = 0.2164-0.8783-1.5515 ( 4053 PWs) bands (ev): -6.8623 -6.8610 -6.5372 -6.5360 -4.4315 -4.4314 -1.8665 -1.8664 -0.7656 -0.7654 1.1247 1.1247 1.7381 1.7384 2.2623 2.2634 2.6299 2.6303 3.3204 3.3222 3.5397 3.5413 3.7942 3.7969 4.1031 4.1053 4.5260 4.5261 5.1553 5.1554 5.8303 5.8304 6.1714 6.1717 7.5006 7.5055 7.5344 7.5396 8.3027 8.3027 10.2929 10.2937 10.9578 10.9588 12.5405 12.5412 12.7607 12.7610 k = 0.2216-0.8992-1.5884 ( 4051 PWs) bands (ev): -6.8308 -6.8294 -6.5057 -6.5045 -4.3599 -4.3599 -1.7977 -1.7975 -0.7317 -0.7315 1.0347 1.0348 1.7376 1.7380 2.2335 2.2345 2.5682 2.5685 3.2695 3.2712 3.5457 3.5468 3.7476 3.7502 4.0401 4.0423 4.5210 4.5211 5.1083 5.1084 5.7931 5.7932 6.1100 6.1103 7.4424 7.4448 7.5061 7.5088 8.2799 8.2800 10.2392 10.2400 10.9487 10.9497 12.4674 12.4681 12.8018 12.8020 k = 0.2268-0.9201-1.6253 ( 4053 PWs) bands (ev): -6.8003 -6.7988 -6.4752 -6.4739 -4.2886 -4.2885 -1.7290 -1.7288 -0.6999 -0.6997 0.9489 0.9490 1.7357 1.7361 2.2084 2.2092 2.5022 2.5025 3.2265 3.2281 3.5282 3.5297 3.7169 3.7197 3.9818 3.9839 4.5216 4.5217 5.0634 5.0636 5.7561 5.7562 6.0481 6.0484 7.3688 7.3699 7.4949 7.4963 8.2569 8.2570 10.1887 10.1895 10.9369 10.9378 12.3983 12.3990 12.8452 12.8454 k = 0.2319-0.9410-1.6623 ( 4051 PWs) bands (ev): -6.7709 -6.7693 -6.4458 -6.4444 -4.2177 -4.2177 -1.6605 -1.6603 -0.6704 -0.6702 0.8675 0.8675 1.7325 1.7329 2.1867 2.1874 2.4328 2.4329 3.1912 3.1927 3.4882 3.4903 3.6973 3.7005 3.9320 3.9340 4.5278 4.5280 5.0214 5.0215 5.7193 5.7193 5.9860 5.9863 7.2935 7.2941 7.4876 7.4885 8.2337 8.2338 10.1418 10.1425 10.9221 10.9230 12.3341 12.3348 12.8904 12.8906 k = 0.2371-0.9619-1.6992 ( 4043 PWs) bands (ev): -6.7426 -6.7410 -6.4176 -6.4161 -4.1477 -4.1476 -1.5925 -1.5923 -0.6435 -0.6432 0.7909 0.7909 1.7282 1.7287 2.1680 2.1684 2.3612 2.3613 3.1628 3.1644 3.4355 3.4378 3.6743 3.6777 3.8958 3.8974 4.5396 4.5397 4.9826 4.9827 5.6825 5.6826 5.9242 5.9245 7.2181 7.2185 7.4830 7.4837 8.2101 8.2103 10.0986 10.0993 10.9039 10.9048 12.2756 12.2763 12.9370 12.9373 k = 0.2422-0.9828-1.7362 ( 4036 PWs) bands (ev): -6.7157 -6.7140 -6.3906 -6.3890 -4.0787 -4.0787 -1.5251 -1.5248 -0.6191 -0.6188 0.7194 0.7195 1.7225 1.7231 2.1504 2.1506 2.2904 2.2909 3.1406 3.1423 3.3774 3.3798 3.6383 3.6416 3.8753 3.8765 4.5566 4.5567 4.9475 4.9476 5.6459 5.6460 5.8630 5.8633 7.1431 7.1434 7.4806 7.4812 8.1862 8.1863 10.0594 10.0601 10.8822 10.8831 12.2234 12.2241 12.9846 12.9848 k = 0.2474-1.0037-1.7731 ( 4034 PWs) bands (ev): -6.6901 -6.6883 -6.3649 -6.3633 -4.0111 -4.0111 -1.4585 -1.4582 -0.5974 -0.5971 0.6535 0.6536 1.7148 1.7155 2.1288 2.1297 2.2268 2.2281 3.1235 3.1254 3.3180 3.3204 3.5897 3.5928 3.8662 3.8668 4.5783 4.5784 4.9165 4.9166 5.6095 5.6096 5.8030 5.8033 7.0690 7.0692 7.4803 7.4808 8.1618 8.1620 10.0243 10.0250 10.8567 10.8575 12.1778 12.1785 13.0328 13.0330 k = 0.2525-1.0246-1.8100 ( 4032 PWs) bands (ev): -6.6659 -6.6640 -6.3407 -6.3390 -3.9453 -3.9453 -1.3929 -1.3926 -0.5785 -0.5782 0.5935 0.5936 1.7039 1.7046 2.0916 2.0934 2.1847 2.1870 3.1097 3.1118 3.2604 3.2625 3.5333 3.5363 3.8617 3.8621 4.6041 4.6042 4.8896 4.8897 5.5736 5.5737 5.7447 5.7450 6.9959 6.9962 7.4816 7.4821 8.1369 8.1371 9.9935 9.9942 10.8272 10.8280 12.1391 12.1398 13.0812 13.0815 k = 0.2577-1.0455-1.8470 ( 4030 PWs) bands (ev): -6.6431 -6.6412 -6.3179 -6.3161 -3.8816 -3.8816 -1.3286 -1.3282 -0.5624 -0.5621 0.5399 0.5400 1.6874 1.6881 2.0390 2.0411 2.1680 2.1704 3.0951 3.0977 3.2092 3.2109 3.4730 3.4758 3.8575 3.8577 4.6331 4.6332 4.8667 4.8668 5.5384 5.5385 5.6887 5.6890 6.9242 6.9244 7.4846 7.4851 8.1116 8.1118 9.9672 9.9679 10.7938 10.7946 12.1076 12.1083 13.1297 13.1300 k = 0.2628-1.0665-1.8839 ( 4026 PWs) bands (ev): -6.6219 -6.6199 -6.2966 -6.2948 -3.8205 -3.8204 -1.2657 -1.2652 -0.5492 -0.5489 0.4930 0.4930 1.6619 1.6625 1.9869 1.9891 2.1641 2.1666 3.0704 3.0735 3.1738 3.1748 3.4110 3.4138 3.8512 3.8514 4.6644 4.6645 4.8473 4.8475 5.5044 5.5044 5.6356 5.6359 6.8541 6.8543 7.4891 7.4895 8.0858 8.0860 9.9453 9.9461 10.7565 10.7573 12.0831 12.0837 13.1779 13.1783 k = 0.2680-1.0874-1.9209 ( 4028 PWs) bands (ev): -6.6022 -6.6002 -6.2769 -6.2750 -3.7622 -3.7622 -1.2044 -1.2039 -0.5390 -0.5386 0.4532 0.4532 1.6238 1.6243 1.9456 1.9480 2.1669 2.1694 3.0289 3.0322 3.1611 3.1615 3.3488 3.3516 3.8419 3.8421 4.6969 4.6970 4.8310 4.8312 5.4720 5.4721 5.5859 5.5863 6.7859 6.7861 7.4949 7.4953 8.0596 8.0599 9.9282 9.9289 10.7156 10.7164 12.0654 12.0660 13.2259 13.2262 k = 0.2731-1.1083-1.9578 ( 4026 PWs) bands (ev): -6.5841 -6.5821 -6.2587 -6.2568 -3.7072 -3.7072 -1.1451 -1.1445 -0.5317 -0.5312 0.4209 0.4210 1.5721 1.5724 1.9184 1.9210 2.1742 2.1768 2.9774 2.9806 3.1636 3.1637 3.2875 3.2903 3.8295 3.8297 4.7291 4.7292 4.8170 4.8172 5.4422 5.4423 5.5405 5.5408 6.7199 6.7201 7.5020 7.5024 8.0331 8.0333 9.9157 9.9165 10.6714 10.6722 12.0540 12.0547 13.2733 13.2736 k = 0.2783-1.1292-1.9947 ( 4034 PWs) bands (ev): -6.5677 -6.5655 -6.2422 -6.2402 -3.6559 -3.6559 -1.0878 -1.0872 -0.5273 -0.5267 0.3966 0.3967 1.5087 1.5090 1.9043 1.9071 2.1856 2.1883 2.9227 2.9259 3.1721 3.1727 3.2297 3.2326 3.8141 3.8144 4.7595 4.7596 4.8044 4.8048 5.4157 5.4158 5.4998 5.5001 6.6564 6.6566 7.5103 7.5107 8.0063 8.0066 9.9080 9.9088 10.6244 10.6252 12.0486 12.0492 13.2867 13.2868 k = 0.2834-1.1501-2.0317 ( 4038 PWs) bands (ev): -6.5528 -6.5506 -6.2273 -6.2252 -3.6086 -3.6086 -1.0330 -1.0322 -0.5257 -0.5250 0.3806 0.3806 1.4375 1.4377 1.9001 1.9030 2.2005 2.2034 2.8675 2.8706 3.1565 3.1579 3.2040 3.2053 3.7964 3.7967 4.7844 4.7855 4.7935 4.7949 5.3938 5.3939 5.4643 5.4646 6.5958 6.5960 7.5198 7.5202 7.9795 7.9797 9.9051 9.9060 10.5751 10.5759 12.0484 12.0491 13.2652 13.2653 k = 0.2886-1.1710-2.0686 ( 4042 PWs) bands (ev): -6.5396 -6.5373 -6.2140 -6.2118 -3.5656 -3.5656 -0.9807 -0.9799 -0.5270 -0.5262 0.3731 0.3732 1.3616 1.3617 1.9029 1.9059 2.2189 2.2218 2.8131 2.8161 3.1037 3.1058 3.2216 3.2220 3.7768 3.7771 4.7800 4.7803 4.8086 4.8091 5.3776 5.3776 5.4345 5.4348 6.5384 6.5386 7.5305 7.5309 7.9526 7.9529 9.9071 9.9080 10.5240 10.5249 12.0529 12.0536 13.2416 13.2417 k = 0.2938-1.1919-2.1056 ( 4038 PWs) bands (ev): -6.5279 -6.5256 -6.2023 -6.2001 -3.5272 -3.5272 -0.9313 -0.9303 -0.5309 -0.5300 0.3745 0.3746 1.2831 1.2832 1.9106 1.9137 2.2404 2.2435 2.7601 2.7631 3.0493 3.0515 3.2462 3.2466 3.7559 3.7563 4.7687 4.7689 4.8227 4.8230 5.3679 5.3681 5.4107 5.4110 6.4848 6.4850 7.5423 7.5427 7.9259 7.9263 9.9139 9.9149 10.4716 10.4725 12.0613 12.0620 13.2160 13.2161 k = 0.2989-1.2128-2.1425 ( 4036 PWs) bands (ev): -6.5179 -6.5155 -6.1922 -6.1900 -3.4936 -3.4936 -0.8850 -0.8839 -0.5373 -0.5363 0.3850 0.3850 1.2035 1.2036 1.9217 1.9249 2.2649 2.2680 2.7090 2.7119 2.9971 2.9993 3.2739 3.2743 3.7344 3.7349 4.7573 4.7575 4.8284 4.8287 5.3639 5.3645 5.3939 5.3947 6.4354 6.4356 7.5551 7.5554 7.8996 7.9000 9.9256 9.9267 10.4183 10.4194 12.0729 12.0736 13.1883 13.1884 k = 0.3041-1.2337-2.1794 ( 4038 PWs) bands (ev): -6.5094 -6.5070 -6.1836 -6.1814 -3.4650 -3.4649 -0.8422 -0.8408 -0.5462 -0.5448 0.4046 0.4047 1.1237 1.1237 1.9351 1.9383 2.2919 2.2950 2.6604 2.6632 2.9480 2.9502 3.3033 3.3038 3.7127 3.7133 4.7466 4.7468 4.8254 4.8256 5.3607 5.3619 5.3886 5.3898 6.3909 6.3911 7.5688 7.5691 7.8738 7.8742 9.9420 9.9433 10.3648 10.3661 12.0871 12.0878 13.1586 13.1587 k = 0.3092-1.2547-2.2164 ( 4048 PWs) bands (ev): -6.5024 -6.5000 -6.1766 -6.1744 -3.4413 -3.4413 -0.8031 -0.8014 -0.5571 -0.5554 0.4334 0.4335 1.0442 1.0442 1.9495 1.9528 2.3208 2.3239 2.6151 2.6177 2.9030 2.9050 3.3331 3.3337 3.6914 3.6922 4.7371 4.7373 4.8142 4.8143 5.3547 5.3558 5.3973 5.3983 6.3518 6.3520 7.5832 7.5836 7.8487 7.8491 9.9631 9.9647 10.3115 10.3130 12.1032 12.1039 13.1272 13.1273 k = 0.3144-1.2756-2.2533 ( 4048 PWs) bands (ev): -6.4969 -6.4945 -6.1711 -6.1688 -3.4225 -3.4225 -0.7682 -0.7661 -0.5696 -0.5675 0.4714 0.4714 0.9654 0.9655 1.9636 1.9669 2.3509 2.3540 2.5739 2.5762 2.8632 2.8649 3.3620 3.3628 3.6713 3.6722 4.7297 4.7300 4.7962 4.7963 5.3490 5.3499 5.4138 5.4146 6.3191 6.3193 7.5982 7.5986 7.8245 7.8249 9.9885 9.9905 10.2592 10.2611 12.1203 12.1211 13.0947 13.0948 k = 0.3195-1.2965-2.2902 ( 4048 PWs) bands (ev): -6.4928 -6.4904 -6.1670 -6.1647 -3.4086 -3.4086 -0.7384 -0.7356 -0.5829 -0.5802 0.5183 0.5183 0.8878 0.8878 1.9757 1.9790 2.3810 2.3841 2.5380 2.5401 2.8301 2.8316 3.3884 3.3893 3.6531 3.6542 4.7253 4.7256 4.7730 4.7730 5.3453 5.3461 5.4335 5.4342 6.2934 6.2936 7.6135 7.6139 7.8013 7.8019 10.0167 10.0196 10.2092 10.2120 12.1379 12.1386 13.0616 13.0617 k = 0.3247-1.3174-2.3272 ( 4046 PWs) bands (ev): -6.4901 -6.4876 -6.1643 -6.1619 -3.3994 -3.3994 -0.7152 -0.7115 -0.5954 -0.5918 0.5739 0.5740 0.8114 0.8114 1.9837 1.9870 2.4093 2.4123 2.5088 2.5106 2.8061 2.8074 3.4100 3.4111 3.6385 3.6398 4.7244 4.7247 4.7459 4.7460 5.3439 5.3445 5.4538 5.4544 6.2756 6.2758 7.6288 7.6293 7.7796 7.7803 10.0431 10.0475 10.1662 10.1706 12.1550 12.1558 13.0287 13.0289 k = 0.3298-1.3383-2.3641 ( 4046 PWs) bands (ev): -6.4887 -6.4862 -6.1628 -6.1605 -3.3946 -3.3945 -0.7013 -0.6969 -0.6038 -0.5994 0.6378 0.6380 0.7364 0.7365 1.9856 1.9888 2.4311 2.4341 2.4899 2.4915 2.7940 2.7951 3.4242 3.4255 3.6292 3.6307 4.7159 4.7160 4.7280 4.7284 5.3447 5.3453 5.4727 5.4732 6.2665 6.2667 7.6435 7.6442 7.7597 7.7605 10.0492 10.0546 10.1503 10.1556 12.1708 12.1715 12.9972 12.9974 k = 0.3350-1.3592-2.4011 ( 4052 PWs) bands (ev): -6.4885 -6.4860 -6.1626 -6.1603 -3.3939 -3.3938 -0.7000 -0.6954 -0.6041 -0.5996 0.6626 0.6629 0.7100 0.7103 1.9796 1.9827 2.4341 2.4369 2.4926 2.4942 2.7963 2.7976 3.4288 3.4302 3.6269 3.6285 4.6847 4.6847 4.7355 4.7358 5.3479 5.3485 5.4887 5.4892 6.2666 6.2668 7.6567 7.6577 7.7424 7.7435 10.0207 10.0242 10.1781 10.1816 12.1841 12.1848 12.9682 12.9684 k = 0.6650-1.2985-2.3657 ( 4052 PWs) bands (ev): -6.4885 -6.4860 -6.1626 -6.1603 -3.3939 -3.3938 -0.7000 -0.6954 -0.6041 -0.5996 0.6626 0.6629 0.7100 0.7103 1.9796 1.9827 2.4341 2.4369 2.4926 2.4942 2.7963 2.7976 3.4288 3.4302 3.6269 3.6285 4.6847 4.6847 4.7355 4.7358 5.3479 5.3485 5.4887 5.4892 6.2666 6.2668 7.6567 7.6577 7.7424 7.7435 10.0207 10.0242 10.1781 10.1816 12.1841 12.1848 12.9682 12.9684 k = 0.6599-1.2560-2.3657 ( 4050 PWs) bands (ev): -6.4894 -6.4869 -6.1635 -6.1612 -3.3969 -3.3969 -0.7103 -0.7065 -0.5969 -0.5931 0.5912 0.5913 0.7895 0.7895 1.9653 1.9683 2.4188 2.4213 2.5158 2.5179 2.8139 2.8156 3.4232 3.4246 3.6316 3.6332 4.6523 4.6523 4.7473 4.7477 5.3539 5.3545 5.5012 5.5016 6.2761 6.2763 7.6665 7.6680 7.7295 7.7310 9.9780 9.9803 10.2259 10.2281 12.1936 12.1944 12.9432 12.9434 k = 0.6547-1.2136-2.3657 ( 4048 PWs) bands (ev): -6.4914 -6.4889 -6.1655 -6.1632 -3.4034 -3.4034 -0.7281 -0.7250 -0.5866 -0.5837 0.5213 0.5213 0.8760 0.8760 1.9432 1.9461 2.3964 2.3989 2.5491 2.5516 2.8456 2.8477 3.4092 3.4104 3.6411 3.6426 4.6195 4.6195 4.7629 4.7633 5.3633 5.3638 5.5096 5.5101 6.2948 6.2950 7.6697 7.6715 7.7244 7.7263 9.9322 9.9338 10.2825 10.2841 12.1981 12.1989 12.9237 12.9239 k = 0.6496-1.1711-2.3657 ( 4050 PWs) bands (ev): -6.4943 -6.4919 -6.1685 -6.1662 -3.4129 -3.4129 -0.7500 -0.7475 -0.5767 -0.5743 0.4532 0.4533 0.9689 0.9689 1.9150 1.9177 2.3701 2.3726 2.5901 2.5930 2.8887 2.8911 3.3890 3.3901 3.6526 3.6540 4.5866 4.5866 4.7814 4.7818 5.3767 5.3773 5.5144 5.5148 6.3221 6.3223 7.6653 7.6670 7.7283 7.7300 9.8860 9.8872 10.3457 10.3469 12.1962 12.1970 12.9112 12.9114 k = 0.6444-1.1286-2.3657 ( 4042 PWs) bands (ev): -6.4982 -6.4957 -6.1724 -6.1701 -3.4251 -3.4251 -0.7743 -0.7723 -0.5683 -0.5663 0.3871 0.3872 1.0675 1.0676 1.8821 1.8848 2.3415 2.3439 2.6385 2.6416 2.9404 2.9431 3.3650 3.3659 3.6640 3.6652 4.5539 4.5540 4.8016 4.8021 5.3954 5.3959 5.5158 5.5162 6.3572 6.3575 7.6571 7.6586 7.7370 7.7384 9.8402 9.8412 10.4145 10.4154 12.1868 12.1875 12.9068 12.9070 k = 0.6392-1.0861-2.3657 ( 4042 PWs) bands (ev): -6.5028 -6.5004 -6.1771 -6.1748 -3.4395 -3.4395 -0.8002 -0.7984 -0.5620 -0.5604 0.3230 0.3230 1.1712 1.1713 1.8463 1.8489 2.3114 2.3137 2.6935 2.6967 2.9987 3.0016 3.3386 3.3394 3.6737 3.6748 4.5217 4.5218 4.8222 4.8226 5.4203 5.4209 5.5145 5.5149 6.3990 6.3993 7.6486 7.6499 7.7469 7.7482 9.7951 9.7959 10.4885 10.4893 12.1693 12.1700 12.9111 12.9113 k = 0.6341-1.0437-2.3657 ( 4048 PWs) bands (ev): -6.5082 -6.5058 -6.1825 -6.1803 -3.4559 -3.4559 -0.8270 -0.8255 -0.5579 -0.5565 0.2609 0.2610 1.2789 1.2790 1.8090 1.8114 2.2810 2.2832 2.7541 2.7574 3.0618 3.0648 3.3111 3.3119 3.6811 3.6822 4.4901 4.4902 4.8415 4.8420 5.4524 5.4531 5.5113 5.5118 6.4464 6.4466 7.6414 7.6426 7.7566 7.7577 9.7508 9.7515 10.5674 10.5681 12.1437 12.1444 12.9239 12.9241 k = 0.6289-1.0012-2.3657 ( 4048 PWs) bands (ev): -6.5142 -6.5119 -6.1885 -6.1863 -3.4739 -3.4739 -0.8545 -0.8531 -0.5559 -0.5547 0.2009 0.2010 1.3894 1.3895 1.7714 1.7738 2.2511 2.2532 2.8195 2.8228 3.1278 3.1308 3.2843 3.2851 3.6858 3.6869 4.4593 4.4595 4.8585 4.8590 5.4894 5.4906 5.5096 5.5107 6.4980 6.4982 7.6365 7.6376 7.7652 7.7663 9.7074 9.7080 10.6508 10.6514 12.1107 12.1112 12.9441 12.9445 k = 0.6238-0.9587-2.3657 ( 4042 PWs) bands (ev): -6.5208 -6.5185 -6.1951 -6.1929 -3.4931 -3.4931 -0.8822 -0.8810 -0.5559 -0.5548 0.1431 0.1431 1.4996 1.4999 1.7359 1.7383 2.2227 2.2247 2.8889 2.8922 3.1896 3.1924 3.2650 3.2660 3.6878 3.6890 4.4294 4.4296 4.8722 4.8726 5.4966 5.4970 5.5466 5.5470 6.5526 6.5528 7.6345 7.6356 7.7726 7.7736 9.6646 9.6651 10.7384 10.7389 12.0709 12.0714 12.9694 12.9699 k = 0.6186-0.9162-2.3657 ( 4052 PWs) bands (ev): -6.5277 -6.5255 -6.2021 -6.2000 -3.5133 -3.5133 -0.9100 -0.9089 -0.5577 -0.5567 0.0874 0.0874 1.5973 1.5980 1.7134 1.7158 2.1974 2.1993 2.9610 2.9644 3.2071 3.2085 3.2935 3.2961 3.6873 3.6885 4.4006 4.4007 4.8821 4.8826 5.4901 5.4904 5.6046 5.6049 6.6089 6.6091 7.6363 7.6374 7.7784 7.7794 9.6224 9.6229 10.8298 10.8302 12.0254 12.0259 12.9932 12.9938 k = 0.6135-0.8738-2.3657 ( 4050 PWs) bands (ev): -6.5351 -6.5329 -6.2095 -6.2075 -3.5342 -3.5342 -0.9377 -0.9367 -0.5611 -0.5602 0.0339 0.0339 1.6243 1.6254 1.7596 1.7609 2.1783 2.1801 3.0340 3.0375 3.1891 3.1902 3.3622 3.3653 3.6846 3.6860 4.3729 4.3730 4.8884 4.8889 5.4822 5.4824 5.6716 5.6719 6.6654 6.6657 7.6424 7.6437 7.7827 7.7837 9.5807 9.5811 10.9244 10.9248 11.9751 11.9755 12.9817 12.9823 k = 0.6083-0.8313-2.3657 ( 4044 PWs) bands (ev): -6.5427 -6.5406 -6.2171 -6.2152 -3.5555 -3.5555 -0.9651 -0.9642 -0.5659 -0.5651 -0.0174 -0.0173 1.5976 1.5989 1.8495 1.8502 2.1724 2.1740 3.0986 3.1021 3.1781 3.1794 3.4370 3.4404 3.6805 3.6823 4.3464 4.3466 4.8913 4.8918 5.4735 5.4737 5.7463 5.7467 6.7208 6.7210 7.6539 7.6553 7.7853 7.7864 9.5391 9.5395 11.0219 11.0223 11.9206 11.9210 12.8679 12.8681 k = 0.6031-0.7888-2.3657 ( 4040 PWs) bands (ev): -6.5506 -6.5485 -6.2250 -6.2231 -3.5770 -3.5770 -0.9921 -0.9913 -0.5719 -0.5712 -0.0664 -0.0663 1.5636 1.5650 1.9206 1.9211 2.1951 2.1962 3.1157 3.1173 3.2184 3.2200 3.5116 3.5155 3.6767 3.6790 4.3216 4.3218 4.8914 4.8920 5.4642 5.4644 5.8277 5.8281 6.7733 6.7736 7.6715 7.6731 7.7863 7.7876 9.4976 9.4979 11.1216 11.1219 11.8627 11.8630 12.7066 12.7067 k = 0.5980-0.7463-2.3657 ( 4040 PWs) bands (ev): -6.5585 -6.5566 -6.2330 -6.2312 -3.5986 -3.5985 -1.0184 -1.0177 -0.5789 -0.5782 -0.1131 -0.1131 1.5289 1.5303 1.9520 1.9527 2.2596 2.2601 3.1024 3.1031 3.2928 3.2948 3.5785 3.5832 3.6796 3.6829 4.2985 4.2988 4.8892 4.8899 5.4545 5.4547 5.9147 5.9150 6.8217 6.8220 7.6960 7.6978 7.7859 7.7874 9.4559 9.4561 11.2227 11.2230 11.8016 11.8019 12.5345 12.5346 k = 0.5928-0.7039-2.3657 ( 4046 PWs) bands (ev): -6.5665 -6.5647 -6.2411 -6.2393 -3.6199 -3.6198 -1.0441 -1.0434 -0.5867 -0.5860 -0.1575 -0.1575 1.4949 1.4962 1.9529 1.9538 2.3534 2.3536 3.0884 3.0890 3.3732 3.3753 3.6152 3.6189 3.7130 3.7157 4.2777 4.2780 4.8853 4.8860 5.4444 5.4445 6.0062 6.0066 6.8645 6.8648 7.7271 7.7299 7.7843 7.7867 9.4136 9.4139 11.3246 11.3249 11.7374 11.7377 12.3601 12.3602 k = 0.5877-0.6614-2.3657 ( 4050 PWs) bands (ev): -6.5745 -6.5727 -6.2491 -6.2474 -3.6408 -3.6408 -1.0689 -1.0683 -0.5951 -0.5945 -0.1996 -0.1996 1.4619 1.4632 1.9403 1.9412 2.4562 2.4563 3.0810 3.0815 3.4551 3.4570 3.6187 3.6206 3.7785 3.7796 4.2598 4.2603 4.8803 4.8810 5.4339 5.4340 6.1013 6.1017 6.9010 6.9013 7.7597 7.7649 7.7863 7.7911 9.3706 9.3708 11.4261 11.4264 11.6700 11.6703 12.1878 12.1879 k = 0.5825-0.6189-2.3657 ( 4050 PWs) bands (ev): -6.5824 -6.5807 -6.2570 -6.2554 -3.6612 -3.6612 -1.0928 -1.0922 -0.6038 -0.6033 -0.2394 -0.2394 1.4304 1.4315 1.9223 1.9233 2.5544 2.5544 3.0858 3.0863 3.5367 3.5384 3.6115 3.6126 3.8506 3.8513 4.2460 4.2467 4.8745 4.8753 5.4231 5.4232 6.1991 6.1995 6.9308 6.9310 7.7687 7.7710 7.8234 7.8253 9.3266 9.3268 11.5237 11.5242 11.6008 11.6014 12.0215 12.0216 k = 0.5774-0.5764-2.3657 ( 4042 PWs) bands (ev): -6.5902 -6.5885 -6.2648 -6.2633 -3.6809 -3.6809 -1.1156 -1.1151 -0.6129 -0.6124 -0.2769 -0.2769 1.4004 1.4014 1.9025 1.9034 2.6368 2.6369 3.1103 3.1108 3.5995 3.6013 3.6174 3.6199 3.9209 3.9215 4.2383 4.2392 4.8684 4.8694 5.4120 5.4121 6.2986 6.2989 6.9539 6.9541 7.7644 7.7654 7.8778 7.8785 9.2812 9.2814 11.5131 11.5135 11.6311 11.6317 11.8658 11.8660 k = 0.5722-0.5339-2.3657 ( 4044 PWs) bands (ev): -6.5977 -6.5962 -6.2724 -6.2710 -3.6999 -3.6999 -1.1374 -1.1369 -0.6220 -0.6215 -0.3120 -0.3119 1.3720 1.3730 1.8823 1.8832 2.6947 2.6948 3.1611 3.1616 3.5889 3.5898 3.6943 3.6959 3.9847 3.9857 4.2396 4.2411 4.8625 4.8635 5.4006 5.4007 6.3989 6.3993 6.9709 6.9712 7.7570 7.7576 7.9387 7.9390 9.2344 9.2346 11.4246 11.4248 11.7163 11.7206 11.7322 11.7362 k = 0.5670-0.4915-2.3657 ( 4040 PWs) bands (ev): -6.6049 -6.6035 -6.2797 -6.2783 -3.7179 -3.7179 -1.1579 -1.1575 -0.6310 -0.6306 -0.3447 -0.3447 1.3453 1.3462 1.8625 1.8633 2.7269 2.7270 3.2381 3.2386 3.5770 3.5777 3.7663 3.7676 4.0382 4.0400 4.2545 4.2566 4.8572 4.8583 5.3890 5.3892 6.4993 6.4996 6.9827 6.9829 7.7479 7.7483 8.0041 8.0042 9.1858 9.1860 11.3204 11.3206 11.6083 11.6089 11.8185 11.8188 k = 0.5619-0.4490-2.3657 ( 4040 PWs) bands (ev): -6.6119 -6.6105 -6.2866 -6.2854 -3.7350 -3.7350 -1.1772 -1.1768 -0.6399 -0.6396 -0.3750 -0.3750 1.3204 1.3213 1.8435 1.8443 2.7400 2.7400 3.3334 3.3340 3.5653 3.5659 3.8299 3.8310 4.0809 4.0836 4.2855 4.2883 4.8528 4.8541 5.3773 5.3774 6.5988 6.5991 6.9900 6.9902 7.7374 7.7376 8.0723 8.0724 9.1355 9.1356 11.2035 11.2036 11.5129 11.5134 11.9056 11.9058 k = 0.5567-0.4065-2.3657 ( 4042 PWs) bands (ev): -6.6184 -6.6172 -6.2932 -6.2920 -3.7510 -3.7509 -1.1952 -1.1948 -0.6485 -0.6482 -0.4029 -0.4029 1.2974 1.2981 1.8256 1.8263 2.7416 2.7416 3.4376 3.4383 3.5545 3.5552 3.8806 3.8817 4.1193 4.1225 4.3294 4.3327 4.8500 4.8515 5.3654 5.3655 6.6966 6.6970 6.9938 6.9939 7.7254 7.7255 8.1417 8.1418 9.0834 9.0835 11.0809 11.0810 11.4343 11.4347 11.9866 11.9867 k = 0.5516-0.3640-2.3657 ( 4042 PWs) bands (ev): -6.6245 -6.6234 -6.2993 -6.2983 -3.7658 -3.7658 -1.2117 -1.2114 -0.6567 -0.6564 -0.4285 -0.4284 1.2762 1.2769 1.8089 1.8095 2.7370 2.7370 3.5281 3.5297 3.5602 3.5617 3.9152 3.9163 4.1620 4.1655 4.3793 4.3829 4.8493 4.8510 5.3534 5.3535 6.7920 6.7923 6.9948 6.9949 7.7120 7.7121 8.2108 8.2109 9.0298 9.0299 10.9597 10.9598 11.3671 11.3674 12.0605 12.0605 k = 0.5464-0.3216-2.3657 ( 4038 PWs) bands (ev): -6.6302 -6.6292 -6.3050 -6.3041 -3.7794 -3.7794 -1.2269 -1.2266 -0.6644 -0.6641 -0.4516 -0.4516 1.2570 1.2576 1.7935 1.7941 2.7294 2.7294 3.5287 3.5289 3.6572 3.6576 3.9347 3.9359 4.2123 4.2158 4.4292 4.4331 4.8513 4.8533 5.3414 5.3415 6.8841 6.8843 6.9937 6.9939 7.6971 7.6972 8.2782 8.2783 8.9752 8.9752 10.8447 10.8448 11.3080 11.3084 12.1260 12.1261 k = 0.5413-0.2791-2.3657 ( 4028 PWs) bands (ev): -6.6353 -6.6344 -6.3102 -6.3094 -3.7917 -3.7917 -1.2405 -1.2403 -0.6715 -0.6712 -0.4723 -0.4723 1.2397 1.2402 1.7797 1.7802 2.7206 2.7206 3.5199 3.5200 3.7585 3.7591 3.9437 3.9450 4.2678 4.2712 4.4751 4.4795 4.8568 4.8591 5.3294 5.3295 6.9709 6.9720 6.9913 6.9926 7.6808 7.6809 8.3425 8.3427 8.9203 8.9204 10.7388 10.7389 11.2557 11.2560 12.1821 12.1821 k = 0.5361-0.2366-2.3657 ( 4026 PWs) bands (ev): -6.6400 -6.6392 -6.3149 -6.3141 -3.8027 -3.8026 -1.2526 -1.2524 -0.6779 -0.6777 -0.4906 -0.4906 1.2244 1.2248 1.7673 1.7677 2.7116 2.7116 3.5113 3.5114 3.8525 3.8539 3.9469 3.9487 4.3247 4.3281 4.5147 4.5194 4.8663 4.8687 5.3176 5.3177 6.9871 6.9875 7.0554 7.0562 7.6629 7.6630 8.4026 8.4028 8.8664 8.8664 10.6438 10.6438 11.2092 11.2095 12.2254 12.2255 k = 0.5309-0.1941-2.3657 ( 4020 PWs) bands (ev): -6.6440 -6.6433 -6.3189 -6.3183 -3.8122 -3.8122 -1.2632 -1.2630 -0.6836 -0.6834 -0.5064 -0.5064 1.2110 1.2115 1.7565 1.7569 2.7031 2.7031 3.5036 3.5037 3.9277 3.9321 3.9545 3.9592 4.3800 4.3835 4.5466 4.5516 4.8798 4.8822 5.3061 5.3063 6.9833 6.9835 7.1330 7.1336 7.6433 7.6435 8.4573 8.4575 8.8146 8.8147 10.5606 10.5607 11.1686 11.1689 12.2430 12.2431 k = 0.5258-0.1517-2.3657 ( 4016 PWs) bands (ev): -6.6475 -6.6469 -6.3224 -6.3219 -3.8204 -3.8204 -1.2722 -1.2721 -0.6885 -0.6883 -0.5198 -0.5198 1.1998 1.2001 1.7473 1.7476 2.6954 2.6954 3.4969 3.4970 3.9398 3.9409 4.0193 4.0206 4.4314 4.4351 4.5705 4.5758 4.8964 4.8987 5.2953 5.2954 6.9793 6.9794 7.2046 7.2050 7.6220 7.6222 8.5056 8.5057 8.7667 8.7668 10.4900 10.4900 11.1338 11.1340 12.2211 12.2211 k = 0.5206-0.1092-2.3657 ( 4018 PWs) bands (ev): -6.6504 -6.6499 -6.3253 -6.3249 -3.8272 -3.8272 -1.2796 -1.2795 -0.6925 -0.6924 -0.5308 -0.5308 1.1905 1.1908 1.7397 1.7400 2.6888 2.6888 3.4914 3.4914 3.9385 3.9390 4.0823 4.0829 4.4771 4.4810 4.5871 4.5926 4.9145 4.9165 5.2853 5.2854 6.9754 6.9755 7.2695 7.2699 7.5988 7.5990 8.5464 8.5465 8.7244 8.7245 10.4321 10.4321 11.1051 11.1052 12.1882 12.1882 k = 0.5155-0.0667-2.3657 ( 4020 PWs) bands (ev): -6.6526 -6.6522 -6.3275 -6.3272 -3.8324 -3.8324 -1.2854 -1.2853 -0.6957 -0.6957 -0.5394 -0.5394 1.1833 1.1835 1.7338 1.7340 2.6836 2.6836 3.4870 3.4870 3.9364 3.9366 4.1327 4.1331 4.5154 4.5196 4.5977 4.6031 4.9318 4.9334 5.2767 5.2768 6.9721 6.9722 7.3275 7.3278 7.5737 7.5739 8.5791 8.5791 8.6893 8.6894 10.3871 10.3871 11.0824 11.0826 12.1594 12.1594 k = 0.5103-0.0242-2.3657 ( 4022 PWs) bands (ev): -6.6542 -6.6539 -6.3291 -6.3289 -3.8362 -3.8362 -1.2895 -1.2894 -0.6980 -0.6980 -0.5455 -0.5455 1.1782 1.1783 1.7296 1.7297 2.6797 2.6797 3.4838 3.4838 3.9345 3.9347 4.1693 4.1695 4.5450 4.5489 4.6038 4.6087 4.9461 4.9472 5.2700 5.2701 6.9696 6.9697 7.3780 7.3783 7.5469 7.5471 8.6028 8.6029 8.6630 8.6631 10.3550 10.3551 11.0661 11.0662 12.1379 12.1379 k = 0.5052 0.0182-2.3657 ( 4022 PWs) bands (ev): -6.6551 -6.6550 -6.3301 -6.3300 -3.8385 -3.8385 -1.2920 -1.2920 -0.6994 -0.6994 -0.5491 -0.5491 1.1751 1.1752 1.7271 1.7272 2.6774 2.6774 3.4819 3.4819 3.9333 3.9334 4.1915 4.1916 4.5645 4.5673 4.6069 4.6102 4.9557 4.9562 5.2657 5.2658 6.9680 6.9681 7.4192 7.4195 7.5199 7.5202 8.6173 8.6174 8.6468 8.6469 10.3358 10.3358 11.0563 11.0564 12.1247 12.1247 k = 0.5000 0.0607-2.3657 ( 4028 PWs) bands (ev): -6.6554 -6.6554 -6.3303 -6.3303 -3.8392 -3.8392 -1.2928 -1.2928 -0.6999 -0.6999 -0.5504 -0.5504 1.1741 1.1741 1.7263 1.7263 2.6766 2.6766 3.4813 3.4813 3.9329 3.9329 4.1990 4.1990 4.5726 4.5726 4.6090 4.6090 4.9591 4.9591 5.2643 5.2643 6.9675 6.9675 7.4397 7.4397 7.5044 7.5044 8.6221 8.6221 8.6413 8.6413 10.3294 10.3294 11.0531 11.0531 12.1202 12.1202 k = 0.5000 0.0607-2.3657 ( 4028 PWs) bands (ev): -6.6554 -6.6554 -6.3303 -6.3303 -3.8392 -3.8392 -1.2928 -1.2928 -0.6999 -0.6999 -0.5504 -0.5504 1.1741 1.1741 1.7263 1.7263 2.6766 2.6766 3.4813 3.4813 3.9329 3.9329 4.1990 4.1990 4.5726 4.5726 4.6090 4.6090 4.9591 4.9591 5.2643 5.2643 6.9675 6.9675 7.4397 7.4397 7.5044 7.5044 8.6221 8.6221 8.6413 8.6413 10.3294 10.3294 11.0531 11.0531 12.1202 12.1202 k = 0.5413 0.0657-2.3568 ( 4027 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8393 -3.8393 -1.2927 -1.2927 -0.7014 -0.7014 -0.5490 -0.5490 1.1754 1.1754 1.7244 1.7244 2.6783 2.6784 3.4774 3.4774 3.9345 3.9345 4.1990 4.1990 4.5770 4.5771 4.6089 4.6090 4.9592 4.9592 5.2617 5.2618 6.9624 6.9624 7.4441 7.4441 7.5043 7.5043 8.6222 8.6222 8.6419 8.6419 10.3320 10.3320 11.0503 11.0503 12.1150 12.1151 k = 0.5825 0.0707-2.3480 ( 4032 PWs) bands (ev): -6.6555 -6.6555 -6.3304 -6.3304 -3.8395 -3.8395 -1.2923 -1.2923 -0.7057 -0.7057 -0.5450 -0.5450 1.1792 1.1792 1.7187 1.7187 2.6834 2.6835 3.4658 3.4659 3.9395 3.9395 4.1991 4.1991 4.5896 4.5897 4.6088 4.6088 4.9595 4.9595 5.2546 5.2546 6.9475 6.9475 7.4568 7.4568 7.5042 7.5042 8.6225 8.6225 8.6433 8.6433 10.3395 10.3395 11.0424 11.0425 12.0997 12.0997 k = 0.6238 0.0757-2.3391 ( 4027 PWs) bands (ev): -6.6556 -6.6556 -6.3306 -6.3306 -3.8399 -3.8399 -1.2917 -1.2917 -0.7122 -0.7122 -0.5391 -0.5391 1.1855 1.1855 1.7094 1.7095 2.6919 2.6919 3.4469 3.4470 3.9490 3.9491 4.1993 4.1993 4.6061 4.6062 4.6104 4.6106 4.9599 4.9599 5.2437 5.2438 6.9242 6.9243 7.4766 7.4767 7.5039 7.5039 8.6230 8.6230 8.6453 8.6453 10.3515 10.3516 11.0306 11.0306 12.0749 12.0750 k = 0.6650 0.0807-2.3303 ( 4027 PWs) bands (ev): -6.6558 -6.6557 -6.3307 -6.3307 -3.8405 -3.8405 -1.2909 -1.2909 -0.7200 -0.7200 -0.5320 -0.5320 1.1941 1.1942 1.6970 1.6970 2.7034 2.7035 3.4215 3.4216 3.9639 3.9640 4.1995 4.1995 4.6076 4.6076 4.6296 4.6297 4.9605 4.9605 5.2309 5.2311 6.8946 6.8946 7.5020 7.5021 7.5036 7.5036 8.6237 8.6237 8.6472 8.6472 10.3674 10.3674 11.0164 11.0165 12.0421 12.0421 k = 0.6650 0.0807-2.3303 ( 4027 PWs) bands (ev): -6.6558 -6.6557 -6.3307 -6.3307 -3.8405 -3.8405 -1.2909 -1.2909 -0.7200 -0.7200 -0.5320 -0.5320 1.1941 1.1942 1.6970 1.6970 2.7034 2.7035 3.4215 3.4216 3.9639 3.9640 4.1995 4.1995 4.6076 4.6076 4.6296 4.6297 4.9605 4.9605 5.2309 5.2311 6.8946 6.8946 7.5020 7.5021 7.5036 7.5036 8.6237 8.6237 8.6472 8.6472 10.3674 10.3674 11.0164 11.0165 12.0421 12.0421 k = 0.6621 0.0804-2.2880 ( 4030 PWs) bands (ev): -6.6584 -6.6583 -6.3334 -6.3333 -3.8492 -3.8492 -1.2998 -1.2998 -0.7193 -0.7193 -0.5193 -0.5193 1.1940 1.1940 1.7059 1.7059 2.7161 2.7163 3.3974 3.3975 3.9689 3.9690 4.2012 4.2012 4.6090 4.6090 4.6358 4.6360 4.9617 4.9617 5.2442 5.2443 6.8867 6.8867 7.5024 7.5024 7.5051 7.5051 8.6249 8.6249 8.6575 8.6576 10.3737 10.3737 11.0136 11.0137 12.0428 12.0429 k = 0.6591 0.0800-2.2458 ( 4034 PWs) bands (ev): -6.6635 -6.6634 -6.3385 -6.3384 -3.8658 -3.8658 -1.3170 -1.3170 -0.7173 -0.7173 -0.4956 -0.4956 1.1976 1.1976 1.7185 1.7186 2.7315 2.7318 3.3701 3.3703 3.9764 3.9765 4.2046 4.2046 4.6115 4.6115 4.6477 4.6479 4.9641 4.9641 5.2560 5.2562 6.8779 6.8780 7.5080 7.5082 7.5083 7.5085 8.6274 8.6274 8.6733 8.6734 10.3836 10.3836 11.0104 11.0104 12.0468 12.0468 k = 0.6562 0.0797-2.2035 ( 4039 PWs) bands (ev): -6.6710 -6.6708 -6.3460 -6.3459 -3.8901 -3.8901 -1.3420 -1.3420 -0.7149 -0.7148 -0.4607 -0.4607 1.2049 1.2050 1.7349 1.7350 2.7495 2.7498 3.3388 3.3392 3.9888 3.9888 4.2095 4.2095 4.6153 4.6153 4.6641 4.6643 4.9678 4.9678 5.2659 5.2661 6.8687 6.8688 7.5128 7.5128 7.5196 7.5196 8.6309 8.6309 8.6944 8.6944 10.3970 10.3971 11.0066 11.0067 12.0539 12.0540 k = 0.6532 0.0793-2.1613 ( 4043 PWs) bands (ev): -6.6808 -6.6807 -6.3559 -6.3558 -3.9215 -3.9214 -1.3739 -1.3739 -0.7129 -0.7128 -0.4151 -0.4151 1.2161 1.2162 1.7547 1.7549 2.7698 2.7703 3.3033 3.3038 4.0077 4.0078 4.2161 4.2161 4.6203 4.6203 4.6835 4.6837 4.9726 4.9726 5.2736 5.2738 6.8597 6.8598 7.5188 7.5188 7.5363 7.5364 8.6357 8.6357 8.7204 8.7204 10.4141 10.4141 11.0023 11.0025 12.0643 12.0643 k = 0.6503 0.0790-2.1191 ( 4043 PWs) bands (ev): -6.6930 -6.6928 -6.3682 -6.3680 -3.9593 -3.9592 -1.4121 -1.4120 -0.7122 -0.7121 -0.3590 -0.3590 1.2311 1.2312 1.7781 1.7782 2.7920 2.7927 3.2639 3.2645 4.0344 4.0345 4.2242 4.2242 4.6264 4.6265 4.7048 4.7051 4.9786 4.9786 5.2788 5.2790 6.8514 6.8515 7.5263 7.5263 7.5583 7.5584 8.6415 8.6415 8.7511 8.7512 10.4346 10.4346 10.9976 10.9977 12.0778 12.0778 k = 0.6473 0.0786-2.0768 ( 4045 PWs) bands (ev): -6.7075 -6.7072 -6.3827 -6.3824 -4.0028 -4.0028 -1.4555 -1.4555 -0.7134 -0.7133 -0.2932 -0.2932 1.2498 1.2499 1.8048 1.8050 2.8152 2.8161 3.2219 3.2228 4.0691 4.0691 4.2339 4.2339 4.6338 4.6338 4.7271 4.7274 4.9857 4.9857 5.2814 5.2816 6.8444 6.8446 7.5353 7.5353 7.5851 7.5852 8.6485 8.6485 8.7863 8.7863 10.4586 10.4586 10.9924 10.9926 12.0944 12.0944 k = 0.6444 0.0782-2.0346 ( 4039 PWs) bands (ev): -6.7241 -6.7238 -6.3993 -6.3990 -4.0515 -4.0515 -1.5036 -1.5035 -0.7171 -0.7170 -0.2182 -0.2182 1.2721 1.2722 1.8349 1.8350 2.8373 2.8385 3.1802 3.1814 4.1113 4.1113 4.2452 4.2452 4.6424 4.6424 4.7498 4.7502 4.9940 4.9940 5.2814 5.2817 6.8394 6.8396 7.5458 7.5458 7.6164 7.6165 8.6566 8.6566 8.8257 8.8257 10.4861 10.4861 10.9869 10.9870 12.1141 12.1141 k = 0.6414 0.0779-1.9923 ( 4037 PWs) bands (ev): -6.7427 -6.7424 -6.4180 -6.4177 -4.1045 -4.1044 -1.5555 -1.5554 -0.7236 -0.7235 -0.1349 -0.1349 1.2978 1.2980 1.8683 1.8684 2.8544 2.8560 3.1434 3.1450 4.1602 4.1603 4.2580 4.2580 4.6522 4.6522 4.7726 4.7729 5.0034 5.0034 5.2790 5.2793 6.8368 6.8370 7.5576 7.5576 7.6517 7.6518 8.6658 8.6658 8.8690 8.8691 10.5171 10.5171 10.9810 10.9811 12.1367 12.1367 k = 0.6385 0.0775-1.9501 ( 4042 PWs) bands (ev): -6.7634 -6.7631 -6.4387 -6.4384 -4.1611 -4.1611 -1.6107 -1.6106 -0.7332 -0.7331 -0.0439 -0.0439 1.3267 1.3269 1.9049 1.9050 2.8599 2.8619 3.1190 3.1210 4.2150 4.2150 4.2723 4.2724 4.6631 4.6631 4.7951 4.7955 5.0140 5.0140 5.2745 5.2747 6.8370 6.8371 7.5709 7.5709 7.6906 7.6907 8.6761 8.6761 8.9161 8.9161 10.5515 10.5515 10.9748 10.9750 12.1622 12.1622 k = 0.6356 0.0772-1.9078 ( 4040 PWs) bands (ev): -6.7859 -6.7855 -6.4613 -6.4609 -4.2208 -4.2208 -1.6685 -1.6685 -0.7459 -0.7458 0.0539 0.0539 1.3585 1.3586 1.9448 1.9449 2.8472 2.8492 3.1145 3.1165 4.2741 4.2743 4.2882 4.2884 4.6752 4.6752 4.8176 4.8179 5.0256 5.0256 5.2684 5.2687 6.8402 6.8404 7.5856 7.5856 7.7324 7.7325 8.6874 8.6874 8.9667 8.9667 10.5892 10.5892 10.9686 10.9688 12.1904 12.1905 k = 0.6326 0.0768-1.8656 ( 4047 PWs) bands (ev): -6.8101 -6.8097 -6.4855 -6.4852 -4.2830 -4.2830 -1.7286 -1.7285 -0.7618 -0.7617 0.1580 0.1581 1.3925 1.3926 1.9879 1.9880 2.8166 2.8184 3.1299 3.1317 4.3050 4.3051 4.3373 4.3374 4.6885 4.6885 4.8400 4.8403 5.0384 5.0384 5.2617 5.2619 6.8466 6.8468 7.6017 7.6017 7.7767 7.7768 8.6997 8.6997 9.0206 9.0207 10.6301 10.6301 10.9626 10.9628 12.2213 12.2214 k = 0.6297 0.0764-1.8234 ( 4045 PWs) bands (ev): -6.8360 -6.8356 -6.5114 -6.5110 -4.3471 -4.3470 -1.7904 -1.7904 -0.7809 -0.7808 0.2678 0.2678 1.4283 1.4284 2.0342 2.0343 2.7748 2.7763 3.1588 3.1604 4.3237 4.3238 4.4020 4.4021 4.7029 4.7029 4.8626 4.8629 5.0522 5.0522 5.2554 5.2556 6.8564 6.8566 7.6192 7.6192 7.8229 7.8230 8.7130 8.7130 9.0777 9.0777 10.6738 10.6739 10.9572 10.9575 12.2546 12.2547 k = 0.6267 0.0761-1.7811 ( 4046 PWs) bands (ev): -6.8633 -6.8629 -6.5388 -6.5383 -4.4126 -4.4126 -1.8536 -1.8535 -0.8030 -0.8029 0.3826 0.3826 1.4651 1.4652 2.0835 2.0835 2.7284 2.7296 3.1951 3.1965 4.3437 4.3437 4.4671 4.4672 4.7184 4.7184 4.8857 4.8859 5.0671 5.0671 5.2512 5.2514 6.8694 6.8696 7.6380 7.6380 7.8705 7.8706 8.7273 8.7273 9.1377 9.1378 10.7196 10.7197 10.9533 10.9535 12.2903 12.2904 k = 0.6238 0.0757-1.7389 ( 4054 PWs) bands (ev): -6.8920 -6.8916 -6.5675 -6.5670 -4.4792 -4.4791 -1.9178 -1.9177 -0.8279 -0.8278 0.5019 0.5019 1.5019 1.5020 2.1355 2.1356 2.6818 2.6828 3.2349 3.2360 4.3649 4.3649 4.5305 4.5306 4.7350 4.7350 4.9096 4.9099 5.0829 5.0829 5.2510 5.2512 6.8858 6.8859 7.6581 7.6581 7.9189 7.9190 8.7425 8.7425 9.2006 9.2007 10.7659 10.7661 10.9526 10.9528 12.3280 12.3282 k = 0.6208 0.0754-1.6966 ( 4059 PWs) bands (ev): -6.9219 -6.9215 -6.5974 -6.5969 -4.5464 -4.5464 -1.9827 -1.9826 -0.8555 -0.8554 0.6252 0.6253 1.5375 1.5375 2.1897 2.1900 2.6387 2.6394 3.2756 3.2766 4.3874 4.3874 4.5895 4.5897 4.7527 4.7528 4.9355 4.9357 5.0998 5.0998 5.2571 5.2572 6.9053 6.9055 7.6795 7.6795 7.9674 7.9675 8.7586 8.7586 9.2663 9.2664 10.8087 10.8090 10.9591 10.9592 12.3677 12.3679 k = 0.6179 0.0750-1.6544 ( 4054 PWs) bands (ev): -6.9530 -6.9525 -6.6283 -6.6279 -4.6139 -4.6139 -2.0480 -2.0479 -0.8854 -0.8854 0.7521 0.7521 1.5702 1.5703 2.2453 2.2458 2.6023 2.6027 3.3155 3.3165 4.4110 4.4110 4.6405 4.6407 4.7715 4.7715 4.9652 4.9654 5.1177 5.1177 5.2717 5.2718 6.9281 6.9282 7.7021 7.7021 8.0157 8.0158 8.7755 8.7755 9.3345 9.3346 10.8407 10.8413 10.9802 10.9803 12.4090 12.4092 k = 0.6149 0.0747-1.6121 ( 4056 PWs) bands (ev): -6.9850 -6.9845 -6.6603 -6.6598 -4.6815 -4.6815 -2.1134 -2.1134 -0.9176 -0.9175 0.8820 0.8821 1.5983 1.5983 2.3006 2.3014 2.5766 2.5766 3.3536 3.3545 4.4358 4.4358 4.6796 4.6798 4.7913 4.7914 5.0015 5.0016 5.1366 5.1366 5.2964 5.2965 6.9540 6.9542 7.7260 7.7260 8.0630 8.0631 8.7933 8.7933 9.4051 9.4053 10.8570 10.8576 11.0211 11.0213 12.4518 12.4520 k = 0.6120 0.0743-1.5699 ( 4067 PWs) bands (ev): -7.0178 -7.0173 -6.6930 -6.6925 -4.7489 -4.7489 -2.1789 -2.1788 -0.9517 -0.9516 1.0144 1.0145 1.6197 1.6197 2.3524 2.3536 2.5665 2.5670 3.3890 3.3898 4.4616 4.4616 4.7043 4.7044 4.8121 4.8122 5.0467 5.0467 5.1563 5.1563 5.3319 5.3320 6.9832 6.9833 7.7510 7.7510 8.1089 8.1090 8.8118 8.8118 9.4781 9.4782 10.8616 10.8623 11.0777 11.0780 12.4957 12.4959 k = 0.6090 0.0739-1.5276 ( 4071 PWs) bands (ev): -7.0513 -7.0508 -6.7264 -6.7259 -4.8159 -4.8158 -2.2441 -2.2440 -0.9874 -0.9874 1.1486 1.1487 1.6328 1.6328 2.3965 2.3982 2.5784 2.5795 3.4210 3.4218 4.4883 4.4883 4.7149 4.7150 4.8340 4.8340 5.1011 5.1012 5.1770 5.1770 5.3776 5.3777 7.0156 7.0157 7.7771 7.7771 8.1530 8.1531 8.8309 8.8309 9.5532 9.5533 10.8606 10.8613 11.1440 11.1443 12.5403 12.5406 k = 0.6061 0.0736-1.4854 ( 4071 PWs) bands (ev): -7.0854 -7.0849 -6.7603 -6.7599 -4.8822 -4.8821 -2.3088 -2.3088 -1.0246 -1.0245 1.2835 1.2835 1.6369 1.6369 2.4321 2.4340 2.6148 2.6161 3.4496 3.4503 4.5160 4.5160 4.7142 4.7143 4.8568 4.8569 5.1632 5.1632 5.1987 5.1987 5.4325 5.4325 7.0514 7.0516 7.8044 7.8044 8.1947 8.1948 8.8508 8.8508 9.6303 9.6304 10.8574 10.8581 11.2167 11.2170 12.5854 12.5858 k = 0.6031 0.0732-1.4432 ( 4075 PWs) bands (ev): -7.1200 -7.1194 -6.7947 -6.7942 -4.9477 -4.9477 -2.3730 -2.3729 -1.0629 -1.0628 1.4153 1.4154 1.6348 1.6348 2.4649 2.4667 2.6699 2.6712 3.4747 3.4754 4.5444 4.5444 4.7057 4.7057 4.8806 4.8806 5.2200 5.2201 5.2318 5.2319 5.4952 5.4953 7.0908 7.0910 7.8327 7.8327 8.2338 8.2339 8.8712 8.8712 9.7091 9.7092 10.8533 10.8541 11.2943 11.2945 12.6306 12.6309 k = 0.6002 0.0729-1.4009 ( 4077 PWs) bands (ev): -7.1548 -7.1543 -6.8294 -6.8289 -5.0123 -5.0122 -2.4364 -2.4363 -1.1021 -1.1020 1.5239 1.5239 1.6469 1.6470 2.5014 2.5030 2.7360 2.7372 3.4966 3.4973 4.5735 4.5735 4.6923 4.6923 4.9052 4.9053 5.2439 5.2439 5.3022 5.3022 5.5648 5.5648 7.1340 7.1341 7.8620 7.8620 8.2698 8.2699 8.8921 8.8921 9.7893 9.7895 10.8494 10.8502 11.3757 11.3760 12.6753 12.6757 k = 0.5972 0.0725-1.3587 ( 4084 PWs) bands (ev): -7.1899 -7.1894 -6.8642 -6.8637 -5.0758 -5.0757 -2.4989 -2.4988 -1.1419 -1.1419 1.5465 1.5466 1.7369 1.7370 2.5441 2.5455 2.8082 2.8092 3.5159 3.5166 4.6032 4.6032 4.6763 4.6763 4.9308 4.9308 5.2679 5.2679 5.3745 5.3745 5.6404 5.6404 7.1810 7.1812 7.8922 7.8922 8.3026 8.3026 8.9135 8.9135 9.8707 9.8709 10.8462 10.8470 11.4604 11.4607 12.7193 12.7197 k = 0.5943 0.0722-1.3164 ( 4085 PWs) bands (ev): -7.2250 -7.2245 -6.8991 -6.8986 -5.1380 -5.1380 -2.5604 -2.5603 -1.1823 -1.1822 1.5219 1.5220 1.8672 1.8674 2.5932 2.5944 2.8837 2.8846 3.5337 3.5344 4.6333 4.6334 4.6595 4.6595 4.9572 4.9572 5.2926 5.2926 5.4465 5.4466 5.7217 5.7217 7.2322 7.2324 7.9233 7.9233 8.3319 8.3319 8.9353 8.9353 9.9527 9.9529 10.8441 10.8450 11.5476 11.5479 12.7620 12.7624 k = 0.5914 0.0718-1.2742 ( 4079 PWs) bands (ev): -7.2602 -7.2597 -6.9339 -6.9334 -5.1990 -5.1990 -2.6208 -2.6207 -1.2229 -1.2228 1.4851 1.4853 2.0038 2.0040 2.6477 2.6487 2.9609 2.9617 3.5512 3.5519 4.6428 4.6430 4.6641 4.6642 4.9844 4.9844 5.3180 5.3180 5.5167 5.5167 5.8086 5.8086 7.2877 7.2878 7.9553 7.9553 8.3575 8.3576 8.9574 8.9574 10.0347 10.0349 10.8439 10.8448 11.6366 11.6369 12.8031 12.8034 k = 0.5884 0.0714-1.2319 ( 4078 PWs) bands (ev): -7.2952 -7.2947 -6.9686 -6.9681 -5.2586 -5.2586 -2.6799 -2.6799 -1.2635 -1.2634 1.4428 1.4430 2.1405 2.1407 2.7060 2.7069 3.0386 3.0392 3.5700 3.5707 4.6281 4.6282 4.6949 4.6949 5.0123 5.0123 5.3441 5.3441 5.5835 5.5836 5.9009 5.9010 7.3474 7.3476 7.9880 7.9880 8.3795 8.3795 8.9797 8.9797 10.1159 10.1161 10.8461 10.8470 11.7264 11.7267 12.8423 12.8427 k = 0.5855 0.0711-1.1897 ( 4081 PWs) bands (ev): -7.3299 -7.3295 -7.0030 -7.0025 -5.3167 -5.3167 -2.7378 -2.7378 -1.3041 -1.3040 1.3974 1.3975 2.2749 2.2752 2.7669 2.7676 3.1153 3.1158 3.5923 3.5931 4.6159 4.6160 4.7259 4.7259 5.0409 5.0409 5.3708 5.3708 5.6460 5.6461 5.9985 5.9985 7.4116 7.4118 8.0213 8.0213 8.3977 8.3977 9.0023 9.0023 10.1951 10.1953 10.8518 10.8527 11.8156 11.8160 12.8798 12.8802 k = 0.5825 0.0707-1.1474 ( 4080 PWs) bands (ev): -7.3644 -7.3639 -7.0370 -7.0366 -5.3733 -5.3732 -2.7943 -2.7942 -1.3444 -1.3443 1.3501 1.3503 2.4050 2.4053 2.8289 2.8294 3.1902 3.1906 3.6209 3.6216 4.6071 4.6072 4.7569 4.7570 5.0701 5.0701 5.3982 5.3982 5.7036 5.7036 6.1009 6.1009 7.4801 7.4802 8.0553 8.0553 8.4122 8.4123 9.0249 9.0249 10.2708 10.2710 10.8624 10.8633 11.9028 11.9032 12.9159 12.9163 k = 0.5796 0.0704-1.1052 ( 4084 PWs) bands (ev): -7.3984 -7.3979 -7.0706 -7.0702 -5.4282 -5.4282 -2.8493 -2.8492 -1.3842 -1.3842 1.3019 1.3021 2.5284 2.5287 2.8902 2.8906 3.2629 3.2632 3.6583 3.6590 4.6025 4.6027 4.7879 4.7879 5.0998 5.0998 5.4261 5.4261 5.7560 5.7560 6.2074 6.2075 7.5528 7.5529 8.0899 8.0899 8.4231 8.4232 9.0475 9.0475 10.3409 10.3411 10.8796 10.8806 11.9857 11.9861 12.9519 12.9523 k = 0.5766 0.0700-1.0630 ( 4084 PWs) bands (ev): -7.4319 -7.4314 -7.1037 -7.1033 -5.4815 -5.4815 -2.9027 -2.9027 -1.4235 -1.4235 1.2535 1.2537 2.6424 2.6428 2.9487 2.9490 3.3347 3.3349 3.7069 3.7076 4.6030 4.6031 4.8187 4.8187 5.1298 5.1298 5.4545 5.4546 5.8032 5.8032 6.3174 6.3174 7.6293 7.6295 8.1248 8.1248 8.4305 8.4306 9.0701 9.0701 10.4030 10.4031 10.9057 10.9066 12.0616 12.0621 12.9893 12.9897 k = 0.5737 0.0696-1.0207 ( 4082 PWs) bands (ev): -7.4648 -7.4643 -7.1361 -7.1357 -5.5331 -5.5330 -2.9546 -2.9546 -1.4621 -1.4621 1.2053 1.2054 2.7445 2.7449 3.0017 3.0017 3.4090 3.4091 3.7675 3.7681 4.6092 4.6093 4.8492 4.8492 5.1603 5.1603 5.4835 5.4835 5.8455 5.8455 6.4301 6.4301 7.7095 7.7096 8.1602 8.1602 8.4346 8.4347 9.0925 9.0925 10.4546 10.4547 10.9427 10.9435 12.1274 12.1279 13.0307 13.0311 k = 0.5707 0.0693-0.9785 ( 4087 PWs) bands (ev): -7.4970 -7.4965 -7.1679 -7.1675 -5.5829 -5.5829 -3.0048 -3.0047 -1.5000 -1.4999 1.1577 1.1578 2.8327 2.8332 3.0458 3.0459 3.4904 3.4905 3.8392 3.8397 4.6216 4.6217 4.8793 4.8793 5.1908 5.1908 5.5129 5.5129 5.8830 5.8830 6.5446 6.5446 7.7928 7.7929 8.1958 8.1958 8.4356 8.4357 9.1147 9.1147 10.4945 10.4945 10.9915 10.9922 12.1798 12.1803 13.0788 13.0793 k = 0.5678 0.0689-0.9362 ( 4078 PWs) bands (ev): -7.5284 -7.5280 -7.1988 -7.1984 -5.6309 -5.6308 -3.0532 -3.0532 -1.5369 -1.5368 1.1110 1.1111 2.9065 2.9071 3.0794 3.0796 3.5822 3.5822 3.9203 3.9207 4.6408 4.6409 4.9090 4.9090 5.2215 5.2215 5.5427 5.5427 5.9162 5.9163 6.6602 6.6602 7.8788 7.8789 8.2316 8.2316 8.4337 8.4338 9.1366 9.1366 10.5230 10.5231 11.0512 11.0519 12.2162 12.2167 13.1358 13.1365 k = 0.5648 0.0686-0.8940 ( 4078 PWs) bands (ev): -7.5590 -7.5586 -7.2289 -7.2285 -5.6771 -5.6770 -3.0999 -3.0999 -1.5728 -1.5727 1.0654 1.0655 2.9666 2.9673 3.1026 3.1031 3.6842 3.6843 4.0091 4.0094 4.6670 4.6670 4.9380 4.9380 5.2520 5.2520 5.5729 5.5729 5.9454 5.9454 6.7762 6.7762 7.9670 7.9671 8.2674 8.2674 8.4294 8.4295 9.1580 9.1580 10.5417 10.5419 11.1196 11.1202 12.2353 12.2358 13.2023 13.2033 k = 0.5619 0.0682-0.8517 ( 4087 PWs) bands (ev): -7.5887 -7.5883 -7.2581 -7.2577 -5.7213 -5.7213 -3.1448 -3.1448 -1.6076 -1.6076 1.0211 1.0213 3.0140 3.0148 3.1177 3.1184 3.7939 3.7941 4.1041 4.1044 4.7002 4.7002 4.9664 4.9664 5.2823 5.2823 5.6033 5.6033 5.9710 5.9710 6.8917 6.8918 8.0567 8.0568 8.3032 8.3032 8.4231 8.4232 9.1790 9.1790 10.5528 10.5531 11.1939 11.1944 12.2376 12.2381 13.2750 13.2768 k = 0.5589 0.0679-0.8095 ( 4085 PWs) bands (ev): -7.6174 -7.6170 -7.2863 -7.2860 -5.7637 -5.7637 -3.1879 -3.1879 -1.6413 -1.6412 0.9783 0.9785 3.0492 3.0502 3.1280 3.1290 3.9080 3.9083 4.2045 4.2048 4.7403 4.7403 4.9941 4.9941 5.3122 5.3122 5.6340 5.6340 5.9932 5.9932 7.0060 7.0060 8.1472 8.1472 8.3388 8.3388 8.4155 8.4157 9.1993 9.1993 10.5582 10.5586 11.2711 11.2715 12.2250 12.2255 13.3340 13.3374 k = 0.5560 0.0675-0.7672 ( 4080 PWs) bands (ev): -7.6451 -7.6447 -7.3135 -7.3132 -5.8042 -5.8041 -3.2290 -3.2290 -1.6736 -1.6736 0.9371 0.9373 3.0719 3.0731 3.1372 3.1384 4.0233 4.0236 4.3096 4.3099 4.7871 4.7871 5.0209 5.0210 5.3415 5.3416 5.6648 5.6648 6.0124 6.0124 7.1180 7.1180 8.2369 8.2369 8.3741 8.3742 8.4081 8.4083 9.2190 9.2190 10.5595 10.5600 11.3485 11.3489 12.2001 12.2006 13.3077 13.3104 k = 0.5530 0.0671-0.7250 ( 4079 PWs) bands (ev): -7.6717 -7.6713 -7.3396 -7.3393 -5.8427 -5.8426 -3.2682 -3.2682 -1.7047 -1.7047 0.8976 0.8978 3.0824 3.0836 3.1479 3.1492 4.1371 4.1376 4.4189 4.4193 4.8400 4.8401 5.0469 5.0469 5.3702 5.3702 5.6956 5.6956 6.0290 6.0290 7.2267 7.2267 8.3204 8.3207 8.4055 8.4062 8.4098 8.4099 9.2380 9.2380 10.5577 10.5582 11.4233 11.4236 12.1657 12.1662 13.2274 13.2291 k = 0.5501 0.0668-0.6828 ( 4075 PWs) bands (ev): -7.6971 -7.6968 -7.3645 -7.3642 -5.8792 -5.8791 -3.3055 -3.3055 -1.7344 -1.7344 0.8599 0.8601 3.0838 3.0848 3.1593 3.1604 4.2477 4.2484 4.5315 4.5320 4.8988 4.8988 5.0719 5.0719 5.3980 5.3980 5.7264 5.7264 6.0431 6.0431 7.3308 7.3308 8.3642 8.3645 8.4427 8.4433 8.4454 8.4454 9.2561 9.2561 10.5535 10.5540 11.4924 11.4927 12.1245 12.1250 13.1410 13.1423 k = 0.5471 0.0664-0.6405 ( 4069 PWs) bands (ev): -7.7214 -7.7211 -7.3883 -7.3880 -5.9137 -5.9136 -3.3408 -3.3407 -1.7627 -1.7626 0.8241 0.8242 3.0799 3.0808 3.1691 3.1701 4.3542 4.3549 4.6459 4.6465 4.9630 4.9630 5.0959 5.0959 5.4248 5.4248 5.7569 5.7569 6.0552 6.0552 7.4287 7.4288 8.3661 8.3663 8.4773 8.4773 8.5257 8.5260 9.2734 9.2734 10.5475 10.5481 11.5524 11.5527 12.0790 12.0795 13.0597 13.0607 k = 0.5442 0.0661-0.5983 ( 4077 PWs) bands (ev): -7.7444 -7.7441 -7.4108 -7.4105 -5.9462 -5.9461 -3.3740 -3.3740 -1.7895 -1.7894 0.7902 0.7903 3.0732 3.0739 3.1765 3.1773 4.4560 4.4569 4.7602 4.7609 5.0323 5.0324 5.1188 5.1188 5.4505 5.4505 5.7870 5.7870 6.0653 6.0653 7.5185 7.5186 8.3642 8.3642 8.5102 8.5102 8.6125 8.6128 9.2897 9.2897 10.5402 10.5407 11.5990 11.5994 12.0313 12.0318 12.9895 12.9904 k = 0.5413 0.0657-0.5560 ( 4082 PWs) bands (ev): -7.7661 -7.7658 -7.4321 -7.4318 -5.9767 -5.9766 -3.4052 -3.4052 -1.8147 -1.8147 0.7582 0.7583 3.0649 3.0655 3.1813 3.1820 4.5531 4.5540 4.8718 4.8727 5.1071 5.1073 5.1406 5.1406 5.4750 5.4750 5.8165 5.8165 6.0737 6.0738 7.5979 7.5979 8.3661 8.3661 8.5421 8.5421 8.6987 8.6990 9.3050 9.3050 10.5318 10.5323 11.6284 11.6288 11.9829 11.9835 12.9356 12.9363 k = 0.5383 0.0654-0.5138 ( 4085 PWs) bands (ev): -7.7865 -7.7862 -7.4520 -7.4518 -6.0051 -6.0051 -3.4344 -3.4344 -1.8384 -1.8383 0.7283 0.7284 3.0559 3.0564 3.1839 3.1845 4.6454 4.6464 4.9780 4.9790 5.1610 5.1610 5.1881 5.1885 5.4982 5.4982 5.8452 5.8452 6.0807 6.0808 7.6643 7.6643 8.3752 8.3752 8.5729 8.5729 8.7829 8.7831 9.3192 9.3192 10.5226 10.5232 11.6379 11.6383 11.9341 11.9347 12.9022 12.9029 k = 0.5354 0.0650-0.4715 ( 4083 PWs) bands (ev): -7.8055 -7.8053 -7.4706 -7.4704 -6.0315 -6.0314 -3.4615 -3.4614 -1.8604 -1.8604 0.7005 0.7006 3.0465 3.0469 3.1846 3.1851 4.7329 4.7339 5.0760 5.0771 5.1804 5.1804 5.2754 5.2758 5.5200 5.5200 5.8730 5.8730 6.0864 6.0865 7.7156 7.7156 8.3936 8.3936 8.6024 8.6024 8.8641 8.8643 9.3323 9.3324 10.5129 10.5134 11.6281 11.6285 11.8837 11.8844 12.8918 12.8923 k = 0.5324 0.0646-0.4293 ( 4081 PWs) bands (ev): -7.8231 -7.8229 -7.4878 -7.4876 -6.0558 -6.0557 -3.4864 -3.4864 -1.8808 -1.8808 0.6748 0.6749 3.0372 3.0375 3.1839 3.1844 4.8155 4.8165 5.1647 5.1659 5.1984 5.1984 5.3681 5.3686 5.5403 5.5403 5.8996 5.8996 6.0909 6.0910 7.7507 7.7508 8.4222 8.4222 8.6304 8.6304 8.9418 8.9420 9.3444 9.3444 10.5028 10.5033 11.6028 11.6032 11.8299 11.8306 12.9036 12.9040 k = 0.5295 0.0643-0.3870 ( 4082 PWs) bands (ev): -7.8393 -7.8391 -7.5036 -7.5034 -6.0780 -6.0779 -3.5093 -3.5093 -1.8996 -1.8995 0.6513 0.6513 3.0281 3.0284 3.1821 3.1825 4.8929 4.8939 5.2149 5.2149 5.2447 5.2458 5.4639 5.4644 5.5590 5.5590 5.9249 5.9249 6.0944 6.0946 7.7707 7.7707 8.4600 8.4600 8.6567 8.6567 9.0153 9.0155 9.3553 9.3553 10.4926 10.4931 11.5672 11.5677 11.7718 11.7726 12.9342 12.9346 k = 0.5265 0.0639-0.3448 ( 4081 PWs) bands (ev): -7.8541 -7.8539 -7.5180 -7.5178 -6.0981 -6.0981 -3.5300 -3.5300 -1.9166 -1.9165 0.6299 0.6299 3.0195 3.0198 3.1796 3.1800 4.9648 4.9657 5.2301 5.2302 5.3168 5.3177 5.5593 5.5598 5.5763 5.5763 5.9485 5.9485 6.0971 6.0972 7.7778 7.7779 8.5045 8.5045 8.6813 8.6813 9.0840 9.0842 9.3650 9.3650 10.4826 10.4830 11.5262 11.5267 11.7105 11.7114 12.9789 12.9793 k = 0.5236 0.0636-0.3026 ( 4077 PWs) bands (ev): -7.8673 -7.8671 -7.5309 -7.5308 -6.1161 -6.1161 -3.5486 -3.5486 -1.9319 -1.9318 0.6107 0.6107 3.0115 3.0118 3.1767 3.1770 5.0308 5.0316 5.2439 5.2440 5.3822 5.3830 5.5914 5.5915 5.6521 5.6525 5.9703 5.9703 6.0989 6.0991 7.7752 7.7753 8.5525 8.5525 8.7039 8.7039 9.1474 9.1475 9.3737 9.3737 10.4727 10.4732 11.4830 11.4836 11.6484 11.6494 13.0326 13.0329 k = 0.5206 0.0632-0.2603 ( 4077 PWs) bands (ev): -7.8791 -7.8789 -7.5424 -7.5423 -6.1321 -6.1320 -3.5650 -3.5650 -1.9454 -1.9454 0.5937 0.5938 3.0043 3.0045 3.1736 3.1739 5.0904 5.0911 5.2562 5.2563 5.4412 5.4418 5.6052 5.6053 5.7388 5.7392 5.9901 5.9901 6.1002 6.1004 7.7661 7.7661 8.6009 8.6009 8.7243 8.7243 9.2049 9.2050 9.3812 9.3812 10.4634 10.4638 11.4402 11.4409 11.5880 11.5890 13.0908 13.0911 k = 0.5177 0.0629-0.2181 ( 4085 PWs) bands (ev): -7.8893 -7.8891 -7.5523 -7.5522 -6.1459 -6.1459 -3.5792 -3.5792 -1.9572 -1.9572 0.5789 0.5790 2.9978 2.9980 3.1705 3.1708 5.1432 5.1438 5.2670 5.2670 5.4937 5.4943 5.6173 5.6173 5.8180 5.8184 6.0077 6.0077 6.1009 6.1011 7.7530 7.7531 8.6471 8.6471 8.7425 8.7425 9.2560 9.2561 9.3876 9.3876 10.4547 10.4551 11.3994 11.4001 11.5318 11.5329 13.1496 13.1499 k = 0.5147 0.0625-0.1758 ( 4089 PWs) bands (ev): -7.8979 -7.8978 -7.5608 -7.5607 -6.1576 -6.1576 -3.5913 -3.5913 -1.9672 -1.9672 0.5664 0.5665 2.9922 2.9923 3.1677 3.1679 5.1887 5.1892 5.2762 5.2763 5.5395 5.5399 5.6276 5.6276 5.8880 5.8884 6.0229 6.0229 6.1012 6.1015 7.7383 7.7384 8.6891 8.6891 8.7582 8.7582 9.3002 9.3003 9.3930 9.3930 10.4469 10.4472 11.3619 11.3627 11.4820 11.4830 13.2056 13.2058 k = 0.5118 0.0621-0.1336 ( 4093 PWs) bands (ev): -7.9051 -7.9050 -7.5677 -7.5677 -6.1671 -6.1671 -3.6012 -3.6012 -1.9754 -1.9753 0.5562 0.5562 2.9876 2.9877 3.1652 3.1654 5.2264 5.2268 5.2840 5.2841 5.5779 5.5782 5.6362 5.6363 5.9474 5.9478 6.0356 6.0356 6.1013 6.1016 7.7237 7.7238 8.7251 8.7251 8.7714 8.7714 9.3370 9.3371 9.3974 9.3974 10.4402 10.4404 11.3290 11.3297 11.4400 11.4409 13.2558 13.2560 k = 0.5088 0.0618-0.0913 ( 4092 PWs) bands (ev): -7.9106 -7.9105 -7.5731 -7.5731 -6.1746 -6.1746 -3.6089 -3.6089 -1.9817 -1.9817 0.5482 0.5482 2.9839 2.9840 3.1631 3.1633 5.2558 5.2562 5.2905 5.2905 5.6082 5.6084 5.6433 5.6434 5.9949 5.9952 6.0457 6.0458 6.1012 6.1015 7.7108 7.7109 8.7540 8.7540 8.7822 8.7822 9.3659 9.3660 9.4010 9.4010 10.4347 10.4349 11.3017 11.3023 11.4069 11.4077 13.2974 13.2976 k = 0.5059 0.0614-0.0491 ( 4087 PWs) bands (ev): -7.9146 -7.9145 -7.5770 -7.5769 -6.1799 -6.1799 -3.6144 -3.6144 -1.9863 -1.9863 0.5425 0.5425 2.9813 2.9814 3.1616 3.1617 5.2762 5.2764 5.2961 5.2961 5.6294 5.6295 5.6494 5.6494 6.0292 6.0296 6.0533 6.0534 6.1011 6.1014 7.7007 7.7007 8.7744 8.7744 8.7907 8.7907 9.3864 9.3864 9.4039 9.4039 10.4306 10.4308 11.2812 11.2816 11.3833 11.3838 13.3278 13.3279 k = 0.5029 0.0611-0.0069 ( 4085 PWs) bands (ev): -7.9169 -7.9169 -7.5793 -7.5793 -6.1831 -6.1831 -3.6177 -3.6177 -1.9890 -1.9890 0.5391 0.5391 2.9797 2.9798 3.1607 3.1608 5.2868 5.2869 5.3012 5.3012 5.6406 5.6406 5.6547 5.6547 6.0489 6.0492 6.0592 6.0592 6.1011 6.1013 7.6943 7.6943 8.7855 8.7855 8.7973 8.7973 9.3975 9.3975 9.4070 9.4070 10.4282 10.4282 11.2685 11.2687 11.3691 11.3694 13.3431 13.3432 k = 0.5000 0.0607 0.0354 ( 4086 PWs) bands (ev): -7.9177 -7.9177 -7.5801 -7.5801 -6.1842 -6.1842 -3.6188 -3.6188 -1.9899 -1.9899 0.5380 0.5380 2.9792 2.9792 3.1604 3.1604 5.2896 5.2896 5.3036 5.3036 5.6436 5.6436 5.6573 5.6573 6.0542 6.0542 6.0626 6.0626 6.1013 6.1013 7.6921 7.6921 8.7886 8.7886 8.8000 8.8000 9.4002 9.4002 9.4090 9.4090 10.4273 10.4273 11.2643 11.2643 11.3645 11.3645 13.3457 13.3457 k = 0.5000-2.0288-1.1828 ( 4032 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8392 -3.8392 -1.2800 -1.2800 -0.7662 -0.7662 -0.4993 -0.4993 1.2868 1.2868 1.5702 1.5702 2.7935 2.7935 3.2444 3.2444 4.1491 4.1491 4.2003 4.2003 4.6040 4.6040 4.6466 4.6466 4.9635 4.9635 5.1830 5.1830 6.6989 6.6989 7.5000 7.5000 7.6893 7.6893 8.6273 8.6273 8.6275 8.6275 10.4746 10.4746 10.9712 10.9712 11.7769 11.7769 k = 0.5413-2.0212-1.1784 ( 4034 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8392 -3.8392 -1.2803 -1.2803 -0.7653 -0.7653 -0.5000 -0.5000 1.2838 1.2838 1.5740 1.5740 2.7907 2.7907 3.2491 3.2491 4.1427 4.1428 4.2002 4.2002 4.6041 4.6041 4.6499 4.6499 4.9634 4.9634 5.1822 5.1823 6.7033 6.7033 7.5001 7.5001 7.6849 7.6849 8.6273 8.6273 8.6283 8.6283 10.4724 10.4724 10.9707 10.9707 11.7838 11.7838 k = 0.5825-2.0136-1.1740 ( 4038 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8393 -3.8393 -1.2810 -1.2810 -0.7625 -0.7625 -0.5018 -0.5018 1.2753 1.2753 1.5847 1.5847 2.7828 2.7829 3.2628 3.2628 4.1251 4.1251 4.2001 4.2002 4.6044 4.6044 4.6580 4.6581 4.9632 4.9632 5.1806 5.1807 6.7164 6.7164 7.5003 7.5003 7.6722 7.6722 8.6270 8.6271 8.6309 8.6309 10.4657 10.4658 10.9700 10.9700 11.8036 11.8036 k = 0.6238-2.0060-1.1696 ( 4029 PWs) bands (ev): -6.6554 -6.6554 -6.3304 -6.3304 -3.8394 -3.8394 -1.2821 -1.2821 -0.7581 -0.7581 -0.5048 -0.5048 1.2629 1.2629 1.6007 1.6007 2.7711 2.7712 3.2837 3.2838 4.0992 4.0993 4.2001 4.2001 4.6048 4.6048 4.6673 4.6674 4.9629 4.9629 5.1798 5.1799 6.7370 6.7370 7.5007 7.5007 7.6520 7.6520 8.6267 8.6267 8.6346 8.6346 10.4548 10.4549 10.9704 10.9704 11.8342 11.8342 k = 0.6650-1.9984-1.1651 ( 4029 PWs) bands (ev): -6.6555 -6.6555 -6.3305 -6.3304 -3.8395 -3.8395 -1.2836 -1.2836 -0.7522 -0.7522 -0.5089 -0.5089 1.2484 1.2484 1.6199 1.6199 2.7572 2.7573 3.3097 3.3098 4.0690 4.0690 4.2000 4.2000 4.6053 4.6053 4.6732 4.6734 4.9624 4.9625 5.1818 5.1820 6.7638 6.7639 7.5012 7.5012 7.6260 7.6260 8.6261 8.6262 8.6387 8.6387 10.4403 10.4403 10.9733 10.9734 11.8727 11.8727 k = 0.7063-1.9909-1.1607 ( 4027 PWs) bands (ev): -6.6555 -6.6555 -6.3305 -6.3305 -3.8397 -3.8397 -1.2853 -1.2853 -0.7450 -0.7450 -0.5139 -0.5139 1.2332 1.2333 1.6405 1.6406 2.7425 2.7425 3.3386 3.3387 4.0378 4.0379 4.1998 4.1999 4.6059 4.6059 4.6725 4.6727 4.9620 4.9620 5.1884 5.1885 6.7950 6.7950 7.5017 7.5017 7.5959 7.5960 8.6255 8.6255 8.6424 8.6424 10.4229 10.4229 10.9797 10.9798 11.9157 11.9157 k = 0.7475-1.9833-1.1563 ( 4025 PWs) bands (ev): -6.6556 -6.6556 -6.3306 -6.3306 -3.8399 -3.8399 -1.2872 -1.2872 -0.7370 -0.7370 -0.5196 -0.5196 1.2186 1.2187 1.6610 1.6611 2.7281 2.7282 3.3681 3.3682 4.0086 4.0087 4.1997 4.1997 4.6065 4.6065 4.6641 4.6643 4.9615 4.9615 5.1997 5.1999 6.8286 6.8286 7.5023 7.5023 7.5639 7.5639 8.6249 8.6249 8.6452 8.6452 10.4040 10.4040 10.9896 10.9897 11.9602 11.9602 k = 0.7888-1.9757-1.1519 ( 4021 PWs) bands (ev): -6.6557 -6.6557 -6.3307 -6.3306 -3.8402 -3.8402 -1.2891 -1.2891 -0.7285 -0.7285 -0.5258 -0.5258 1.2054 1.2054 1.6802 1.6802 2.7149 2.7150 3.3963 3.3964 3.9836 3.9836 4.1996 4.1996 4.6071 4.6071 4.6489 4.6490 4.9609 4.9609 5.2147 5.2148 6.8625 6.8625 7.5030 7.5030 7.5319 7.5319 8.6243 8.6243 8.6468 8.6468 10.3850 10.3851 11.0023 11.0024 12.0032 12.0032 k = 0.8300-1.9681-1.1474 ( 4027 PWs) bands (ev): -6.6558 -6.6557 -6.3307 -6.3307 -3.8405 -3.8405 -1.2909 -1.2909 -0.7200 -0.7200 -0.5320 -0.5320 1.1941 1.1942 1.6970 1.6970 2.7034 2.7035 3.4215 3.4216 3.9639 3.9640 4.1995 4.1995 4.6076 4.6076 4.6296 4.6297 4.9605 4.9605 5.2309 5.2311 6.8946 6.8946 7.5020 7.5021 7.5036 7.5036 8.6237 8.6237 8.6472 8.6472 10.3674 10.3674 11.0164 11.0165 12.0421 12.0421 Writing output data file Al6C3N2.save init_run : 4.47s CPU 12.80s WALL ( 1 calls) electrons : 3052.28s CPU 3070.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.78s CPU 2.23s WALL ( 1 calls) Called by electrons: c_bands : 3052.16s CPU 3069.76s WALL ( 1 calls) v_of_rho : 0.19s CPU 1.11s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.17s CPU 0.68s WALL ( 1 calls) newd : 0.67s CPU 0.97s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 339 calls) cegterg : 2719.12s CPU 2733.01s WALL ( 656 calls) Called by sum_band: Called by *egterg: h_psi : 2742.99s CPU 2761.12s WALL ( 9314 calls) s_psi : 51.17s CPU 51.52s WALL ( 9314 calls) g_psi : 0.56s CPU 0.60s WALL ( 8319 calls) cdiaghg : 161.59s CPU 159.63s WALL ( 8658 calls) cegterg:over : 40.25s CPU 37.89s WALL ( 8319 calls) cegterg:upda : 7.69s CPU 10.30s WALL ( 8319 calls) cegterg:last : 6.62s CPU 7.28s WALL ( 1686 calls) Called by h_psi: h_psi:vloc : 2644.01s CPU 2660.35s WALL ( 9314 calls) h_psi:vnl : 98.69s CPU 100.09s WALL ( 9314 calls) add_vuspsi : 38.16s CPU 41.20s WALL ( 9314 calls) General routines calbec : 60.47s CPU 58.77s WALL ( 9314 calls) fft : 0.52s CPU 1.48s WALL ( 19 calls) ffts : 0.03s CPU 0.33s WALL ( 4 calls) fftw : 1861.36s CPU 1870.23s WALL ( 1068988 calls) interpolate : 0.15s CPU 0.45s WALL ( 4 calls) davcio : 0.04s CPU 1.06s WALL ( 678 calls) Parallel routines fft_scatter : 791.24s CPU 793.72s WALL ( 1069011 calls) PWSCF : 51m44.13s CPU 53m25.32s WALL This run was terminated on: 11: 6:40 5Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=